#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qt3 h ASP 4 N 0.00 0.44 -4.51 4.39 3.32 -1.79 -3.46 116.42 114.82 2qt3 h ASP 4 Ca 0.00 -0.25 -0.39 0.00 0.02 0.00 0.00 57.03 56.41 2qt3 h ASP 4 Cb 0.00 -0.13 -0.22 0.00 0.22 0.00 0.00 39.33 39.21 2qt3 h ASP 4 CO 0.00 0.93 -0.77 -0.36 -1.72 0.00 0.00 179.24 177.32 2qt3 s PHE 5 N -3.85 1.13 -0.00 4.55 0.08 -0.68 -4.89 117.98 114.32 2qt3 s PHE 5 Ca -0.06 -0.46 0.05 0.00 0.12 0.00 0.00 56.93 56.59 2qt3 s PHE 5 Cb 0.11 -0.64 -0.24 0.00 -0.57 0.00 0.00 43.02 41.68 2qt3 s PHE 5 CO 0.82 0.04 0.82 -0.44 -0.10 0.00 0.00 175.22 176.36 2qt3 h ASP 6 N 4.38 0.16 -4.24 1.36 3.32 -1.16 -2.78 116.42 117.45 2qt3 h ASP 6 Ca -0.40 -0.25 -0.11 0.00 0.02 0.00 0.00 57.03 56.29 2qt3 h ASP 6 Cb 1.19 -0.05 -0.22 0.00 0.22 0.00 0.00 39.33 40.47 2qt3 h ASP 6 CO 0.40 1.21 -0.18 -0.22 -1.72 0.00 0.00 179.24 178.74 2qt3 s LEU 7 N -6.57 0.33 -0.02 1.55 2.96 -0.61 -3.37 118.68 112.95 2qt3 s LEU 7 Ca -0.06 0.70 0.01 0.00 -0.22 0.00 0.00 54.13 54.56 2qt3 s LEU 7 Cb 0.08 1.57 0.01 0.00 0.50 0.00 0.00 46.19 48.35 2qt3 s LEU 7 CO 0.83 -0.26 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.94 2qt3 s ILE 8 N -0.25 0.26 -0.28 6.68 1.01 -1.03 -0.63 121.20 126.97 2qt3 s ILE 8 Ca -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.53 2qt3 s ILE 8 Cb -0.03 -0.28 0.02 0.00 0.01 0.00 0.00 42.46 42.18 2qt3 s ILE 8 CO 0.02 0.12 0.01 -0.63 0.00 0.00 0.00 174.94 174.46 2qt3 s ILE 9 N 0.51 3.33 0.28 2.92 1.01 -0.87 -2.22 121.20 126.16 2qt3 s ILE 9 Ca -0.05 -0.95 -0.15 0.00 0.00 0.00 0.00 60.65 59.50 2qt3 s ILE 9 Cb -0.08 -2.74 -0.08 0.00 0.01 0.00 0.00 42.46 39.57 2qt3 s ILE 9 CO -0.01 0.10 0.70 -0.13 0.00 0.00 0.00 174.94 175.60 2qt3 s ARG 10 N 1.38 4.03 -1.00 2.79 1.81 -0.22 -1.16 118.95 126.59 2qt3 s ARG 10 Ca 0.00 0.65 -0.14 0.00 -1.72 0.00 0.00 55.73 54.53 2qt3 s ARG 10 Cb -0.17 -2.58 0.00 0.00 -0.45 0.00 0.00 34.95 31.75 2qt3 s ARG 10 CO -0.01 0.24 0.70 0.09 -0.68 0.00 0.00 175.30 175.65 2qt3 n ASN 11 N -0.04 -5.36 -4.41 0.23 3.02 -1.18 -1.74 115.26 105.78 2qt3 n ASN 11 Ca 0.01 -0.91 -0.38 0.00 -0.03 0.00 0.00 54.58 53.28 2qt3 n ASN 11 Cb 0.53 -2.85 -0.12 0.00 -0.61 0.00 0.00 39.78 36.72 2qt3 n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qt3 s ALA 12 N -3.26 3.19 -0.16 5.41 0.00 0.22 -1.60 121.76 125.56 2qt3 s ALA 12 Ca 0.26 -1.37 -0.29 0.00 0.00 0.00 0.00 51.96 50.56 2qt3 s ALA 12 Cb -0.11 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 2qt3 s ALA 12 CO 0.88 -0.84 1.23 -0.47 0.00 0.00 0.00 175.76 176.55 2qt3 s TYR 13 N 1.58 2.93 -0.29 0.00 5.04 -0.78 -1.10 117.35 124.73 2qt3 s TYR 13 Ca 0.04 1.07 -0.08 0.00 -2.44 0.00 0.00 57.07 55.66 2qt3 s TYR 13 Cb -0.17 -3.47 -0.01 0.00 0.35 0.00 0.00 41.96 38.66 2qt3 s TYR 13 CO 0.05 -1.54 0.11 -0.51 -1.34 0.00 0.00 175.55 172.32 2qt3 s LEU 14 N 3.37 3.81 0.31 6.97 1.43 -0.53 -2.22 118.68 131.82 2qt3 s LEU 14 Ca 0.54 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 2qt3 s LEU 14 Cb -0.21 -1.95 0.49 0.00 0.03 0.00 0.00 46.19 44.55 2qt3 s LEU 14 CO 0.14 -0.14 1.89 0.77 0.23 0.00 0.00 176.35 179.24 2qt3 h SER 15 N 8.28 0.74 0.53 2.29 4.64 -1.87 0.47 113.55 128.63 2qt3 h SER 15 Ca -0.34 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 60.83 2qt3 h SER 15 Cb 1.15 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 2qt3 h SER 15 CO 0.60 0.67 -0.24 -0.33 -0.87 0.00 0.00 176.83 176.67 2qt3 h GLU 16 N 0.80 0.00 -0.01 4.77 4.39 -1.96 -2.77 114.58 119.80 2qt3 h GLU 16 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2qt3 h GLU 16 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2qt3 h GLU 16 CO -0.02 0.24 -0.48 1.63 -1.16 0.00 0.00 179.01 179.21 2qt3 n LYS 17 N -3.70 1.88 -3.97 2.33 5.02 -1.01 -5.01 118.16 113.70 2qt3 n LYS 17 Ca -0.01 -0.45 -0.27 0.00 -2.02 0.00 0.00 58.31 55.56 2qt3 n LYS 17 Cb 0.35 -1.23 -0.02 0.00 -0.02 0.00 0.00 35.03 34.10 2qt3 n LYS 17 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2qt3 n ASP 18 N -0.66 -0.66 -3.57 4.39 2.03 0.16 -4.96 116.55 113.29 2qt3 n ASP 18 Ca 0.05 -1.04 -0.07 0.00 0.52 0.00 0.00 54.79 54.24 2qt3 n ASP 18 Cb 0.29 -2.90 -0.02 0.00 -0.72 0.00 0.00 41.12 37.76 2qt3 n ASP 18 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2qt3 s SER 19 N -4.29 -0.33 0.07 1.67 0.15 -1.15 -5.00 113.70 104.83 2qt3 s SER 19 Ca 0.05 -0.12 -0.20 0.00 0.70 0.00 0.00 55.95 56.38 2qt3 s SER 19 Cb -0.02 0.43 -0.07 0.00 -1.71 0.00 0.00 66.02 64.66 2qt3 s SER 19 CO 0.90 -0.74 0.59 -0.69 1.20 0.00 0.00 173.24 174.50 2qt3 s VAL 20 N -3.23 4.74 0.23 4.45 1.01 -1.26 -1.46 120.40 124.89 2qt3 s VAL 20 Ca 0.07 1.25 -0.09 0.00 0.00 0.00 0.00 61.98 63.21 2qt3 s VAL 20 Cb -0.01 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 2qt3 s VAL 20 CO -0.06 0.53 0.38 -0.31 0.00 0.00 0.00 175.10 175.64 2qt3 s TYR 21 N -0.96 0.60 0.02 5.22 2.02 -0.26 -4.55 117.35 119.45 2qt3 s TYR 21 Ca 0.30 -0.92 0.02 0.00 -0.37 0.00 0.00 57.07 56.09 2qt3 s TYR 21 Cb -0.20 -0.03 -0.04 0.00 -0.40 0.00 0.00 41.96 41.30 2qt3 s TYR 21 CO 0.19 -0.89 0.04 -0.51 -1.57 0.00 0.00 175.55 172.80 2qt3 s ASP 22 N -3.06 5.33 -0.16 2.29 -0.00 0.84 0.70 116.67 122.62 2qt3 s ASP 22 Ca 0.27 0.01 0.01 0.00 -0.00 0.00 0.00 52.55 52.84 2qt3 s ASP 22 Cb 0.02 -1.43 0.00 0.00 -0.00 0.00 0.00 42.92 41.51 2qt3 s ASP 22 CO 0.10 0.24 -0.16 -0.63 -0.00 0.00 0.00 175.17 174.72 2qt3 s ILE 23 N -1.20 2.51 -0.23 0.77 1.01 -0.31 -2.53 121.20 121.22 2qt3 s ILE 23 Ca 0.23 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 59.98 2qt3 s ILE 23 Cb -0.12 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 2qt3 s ILE 23 CO 0.14 0.52 0.11 -0.83 0.00 0.00 0.00 174.94 174.88 2qt3 s GLY 24 N 0.92 1.88 -0.03 6.18 0.00 0.65 -2.05 107.32 114.88 2qt3 s GLY 24 Ca -0.04 -0.96 0.05 0.00 0.00 0.00 0.00 44.72 43.78 2qt3 s GLY 24 CO -0.02 0.38 -0.19 -0.42 0.00 0.00 0.00 173.10 172.85 2qt3 s ILE 25 N 1.15 1.51 -0.05 0.90 1.01 0.20 -0.59 121.20 125.33 2qt3 s ILE 25 Ca 0.06 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.93 2qt3 s ILE 25 Cb -0.14 -1.27 0.02 0.00 0.01 0.00 0.00 42.46 41.08 2qt3 s ILE 25 CO 0.04 0.43 -0.06 -0.69 0.00 0.00 0.00 174.94 174.66 2qt3 s VAL 26 N -0.25 0.68 0.00 2.92 1.01 -0.86 -0.56 120.40 123.33 2qt3 s VAL 26 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2qt3 s VAL 26 Cb -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.62 2qt3 s VAL 26 CO 0.01 0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.97 2qt3 n GLY 27 N 3.94 3.74 1.15 4.51 0.00 -1.26 -1.96 105.19 115.31 2qt3 n GLY 27 Ca -0.25 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.81 2qt3 n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qt3 n ASP 28 N 5.89 3.79 -4.35 1.61 5.75 -1.26 -3.50 116.55 124.47 2qt3 n ASP 28 Ca 0.00 -2.13 -0.24 0.00 -0.01 0.00 0.00 54.79 52.41 2qt3 n ASP 28 Cb 0.00 -0.43 -0.12 0.00 -1.03 0.00 0.00 41.12 39.54 2qt3 n ASP 28 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2qt3 s ARG 29 N -1.24 1.33 -0.11 0.11 1.81 -0.83 0.41 118.95 120.44 2qt3 s ARG 29 Ca 0.41 -1.40 -0.19 0.00 -1.72 0.00 0.00 55.73 52.83 2qt3 s ARG 29 Cb 0.23 -1.52 -0.04 0.00 -0.45 0.00 0.00 34.95 33.17 2qt3 s ARG 29 CO 0.25 0.33 0.51 0.42 -0.68 0.00 0.00 175.30 176.13 2qt3 s ILE 30 N -1.73 5.16 0.00 1.52 1.01 0.34 -2.03 121.20 125.47 2qt3 s ILE 30 Ca 0.16 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.84 2qt3 s ILE 30 Cb -0.07 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.55 2qt3 s ILE 30 CO 0.07 0.32 0.14 2.30 0.00 0.00 0.00 174.94 177.77 2qt3 n ILE 31 N 3.64 0.00 -3.63 2.92 -5.35 0.24 0.30 119.36 117.48 2qt3 n ILE 31 Ca -0.06 -0.41 -0.14 0.00 -0.27 0.00 0.00 62.75 61.86 2qt3 n ILE 31 Cb 0.52 1.06 -0.07 0.00 -1.74 0.00 0.00 39.64 39.40 2qt3 n ILE 31 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2qt3 s LYS 32 N -0.54 0.81 -0.21 6.28 2.20 -1.11 -4.75 119.74 122.42 2qt3 s LYS 32 Ca 0.00 0.78 -0.04 0.00 -0.36 0.00 0.00 55.97 56.35 2qt3 s LYS 32 Cb 0.00 0.39 0.09 0.00 -1.51 0.00 0.00 37.83 36.80 2qt3 s LYS 32 CO 0.00 -0.13 0.17 0.42 -0.36 0.00 0.00 175.35 175.44 2qt3 s ILE 33 N 0.06 -0.21 -0.00 5.43 1.01 -1.26 -0.25 121.20 125.98 2qt3 s ILE 33 Ca -0.02 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.28 2qt3 s ILE 33 Cb -0.04 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.73 2qt3 s ILE 33 CO 0.02 -0.33 0.18 -1.61 0.00 0.00 0.00 174.94 173.21 2qt3 s GLU 34 N 2.23 0.54 0.56 2.79 2.02 -1.05 -4.94 118.70 120.84 2qt3 s GLU 34 Ca 0.06 -0.35 0.33 0.00 0.02 0.00 0.00 54.97 55.02 2qt3 s GLU 34 Cb -0.16 0.23 1.48 0.00 0.10 0.00 0.00 34.13 35.78 2qt3 s GLU 34 CO -0.16 -0.13 1.82 0.00 0.02 0.00 0.00 175.26 176.80 2qt3 h ALA 35 N 4.14 2.81 -1.22 5.21 0.00 -1.86 0.24 119.26 128.59 2qt3 h ALA 35 Ca -0.31 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2qt3 h ALA 35 Cb 1.19 0.07 -0.23 0.00 0.00 0.00 0.00 17.79 18.82 2qt3 h ALA 35 CO 0.41 -1.20 -0.37 0.21 0.00 0.00 0.00 179.25 178.29 2qt3 s LYS 36 N -4.85 0.51 -0.14 0.00 2.47 -1.26 -4.33 119.74 112.14 2qt3 s LYS 36 Ca -0.05 0.66 -0.16 0.00 -1.56 0.00 0.00 55.97 54.86 2qt3 s LYS 36 Cb 0.20 0.19 -0.04 0.00 -1.46 0.00 0.00 37.83 36.72 2qt3 s LYS 36 CO 0.72 -0.83 0.40 0.96 0.16 0.00 0.00 175.35 176.76 2qt3 s ILE 37 N 2.76 5.24 0.38 5.43 -4.36 -1.25 -5.05 121.20 124.34 2qt3 s ILE 37 Ca 0.15 0.77 -0.09 0.00 -0.26 0.00 0.00 60.65 61.22 2qt3 s ILE 37 Cb -0.13 -3.74 -0.06 0.00 1.25 0.00 0.00 42.46 39.78 2qt3 s ILE 37 CO -0.23 0.34 0.72 -1.61 0.24 0.00 0.00 174.94 174.39 2qt3 s GLU 38 N 0.64 3.73 0.00 0.37 0.41 -1.26 -5.02 118.70 117.58 2qt3 s GLU 38 Ca 0.22 0.34 0.00 0.00 -0.41 0.00 0.00 54.97 55.12 2qt3 s GLU 38 Cb -0.14 -2.45 0.00 0.00 -1.78 0.00 0.00 34.13 29.75 2qt3 s GLU 38 CO 0.07 0.02 0.00 0.41 -0.49 0.00 0.00 175.26 175.27 2qt3 n GLY 39 N -1.25 3.88 3.84 -1.39 0.00 -1.26 -5.08 105.19 103.94 2qt3 n GLY 39 Ca 0.01 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 2qt3 n GLY 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qt3 s THR 40 N -2.35 4.63 0.05 2.61 -4.23 -1.26 -4.96 115.64 110.14 2qt3 s THR 40 Ca 0.00 1.06 -0.09 0.00 -1.18 0.00 0.00 61.69 61.48 2qt3 s THR 40 Cb 0.00 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.19 2qt3 s THR 40 CO 0.00 -0.14 0.19 0.54 -0.54 0.00 0.00 174.62 174.67 2qt3 s VAL 41 N -1.94 0.12 -0.11 2.29 0.11 -1.26 -1.68 120.40 117.93 2qt3 s VAL 41 Ca 0.53 -0.98 -0.21 0.00 -2.93 0.00 0.00 61.98 58.40 2qt3 s VAL 41 Cb -0.11 -1.04 -0.18 0.00 -1.53 0.00 0.00 36.38 33.52 2qt3 s VAL 41 CO 0.18 -0.54 0.62 0.11 -3.33 0.00 0.00 175.10 172.13 2qt3 h LYS 42 N 3.26 -0.03 -6.17 1.54 1.57 -1.61 -3.48 116.57 111.66 2qt3 h LYS 42 Ca -0.33 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.88 2qt3 h LYS 42 Cb 1.19 0.01 -0.24 0.00 0.08 0.00 0.00 32.23 33.27 2qt3 h LYS 42 CO 0.51 0.63 -0.84 -0.51 -0.57 0.00 0.00 179.45 178.67 2qt3 s ASP 43 N -5.94 2.55 0.04 0.86 1.01 -1.22 -5.06 116.67 108.91 2qt3 s ASP 43 Ca -0.13 -0.60 0.05 0.00 0.71 0.00 0.00 52.55 52.57 2qt3 s ASP 43 Cb -0.02 -0.18 -0.02 0.00 1.01 0.00 0.00 42.92 43.71 2qt3 s ASP 43 CO 0.49 0.12 -0.14 -1.61 0.21 0.00 0.00 175.17 174.24 2qt3 s GLU 44 N -1.52 0.96 -0.04 8.23 2.02 -1.26 -2.46 118.70 124.63 2qt3 s GLU 44 Ca 0.07 -0.76 0.01 0.00 0.02 0.00 0.00 54.97 54.32 2qt3 s GLU 44 Cb -0.09 -0.97 0.02 0.00 0.10 0.00 0.00 34.13 33.19 2qt3 s GLU 44 CO 0.03 0.24 -0.06 0.42 0.02 0.00 0.00 175.26 175.91 2qt3 s ILE 45 N -0.84 0.61 -0.40 -1.63 -1.09 -0.94 -5.02 121.20 111.89 2qt3 s ILE 45 Ca 0.02 -0.20 -0.14 0.00 -2.23 0.00 0.00 60.65 58.10 2qt3 s ILE 45 Cb -0.08 -0.60 0.03 0.00 -1.58 0.00 0.00 42.46 40.23 2qt3 s ILE 45 CO 0.01 0.23 0.28 -0.62 -1.23 0.00 0.00 174.94 173.61 2qt3 s ASP 46 N 0.68 6.00 0.04 3.58 -1.08 -1.26 -1.06 116.67 123.57 2qt3 s ASP 46 Ca -0.10 -0.96 0.21 0.00 -0.52 0.00 0.00 52.55 51.18 2qt3 s ASP 46 Cb -0.13 -2.12 0.87 0.00 -1.46 0.00 0.00 42.92 40.08 2qt3 s ASP 46 CO 0.01 -0.44 1.66 0.00 0.52 0.00 0.00 175.17 176.91 2qt3 n ALA 47 N 5.11 1.92 -3.18 3.66 0.00 -0.71 -4.89 120.51 122.43 2qt3 n ALA 47 Ca -0.11 -0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.06 2qt3 n ALA 47 Cb 0.46 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2qt3 n ALA 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qt3 n LYS 48 N -1.62 -3.56 -0.78 0.00 5.02 -1.25 -0.75 118.16 115.23 2qt3 n LYS 48 Ca 0.05 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 2qt3 n LYS 48 Cb 0.25 -5.30 0.00 0.00 -0.02 0.00 0.00 35.03 29.95 2qt3 n LYS 48 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qt3 n GLY 49 N -1.20 1.00 3.89 0.72 0.00 -0.63 -5.04 105.19 103.93 2qt3 n GLY 49 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 2qt3 n GLY 49 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qt3 s ASN 50 N -3.04 5.36 0.33 1.61 0.01 0.08 -4.30 114.94 114.99 2qt3 s ASN 50 Ca 0.00 1.10 -0.29 0.00 -0.71 0.00 0.00 52.86 52.96 2qt3 s ASN 50 Cb 0.00 -1.87 -0.10 0.00 0.41 0.00 0.00 41.25 39.69 2qt3 s ASN 50 CO 0.00 -1.39 1.40 -0.22 -1.51 0.00 0.00 177.10 175.37 2qt3 s LEU 51 N -5.38 4.38 -0.09 0.60 2.96 0.53 -1.86 118.68 119.83 2qt3 s LEU 51 Ca 0.59 2.80 0.01 0.00 -0.22 0.00 0.00 54.13 57.31 2qt3 s LEU 51 Cb -0.11 -3.65 0.02 0.00 0.50 0.00 0.00 46.19 42.95 2qt3 s LEU 51 CO 0.51 -0.68 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.09 2qt3 s VAL 52 N -0.89 0.99 0.26 1.68 1.01 -0.94 -1.47 120.40 121.03 2qt3 s VAL 52 Ca 0.52 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.20 2qt3 s VAL 52 Cb -0.42 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 2qt3 s VAL 52 CO 0.54 0.34 0.05 -0.94 0.00 0.00 0.00 175.10 175.10 2qt3 s SER 53 N 1.24 1.60 0.89 3.32 1.04 -0.54 -4.64 113.70 116.60 2qt3 s SER 53 Ca -0.04 -1.32 -0.11 0.00 0.48 0.00 0.00 55.95 54.95 2qt3 s SER 53 Cb -0.14 0.07 0.13 0.00 0.10 0.00 0.00 66.02 66.18 2qt3 s SER 53 CO -0.03 -0.64 1.09 -2.16 0.98 0.00 0.00 173.24 172.49 2qt3 s PRO 54 N -3.95 1.29 0.38 4.02 0.04 -1.26 -0.52 135.00 135.00 2qt3 s PRO 54 Ca 0.34 0.84 -0.27 0.00 0.04 0.00 0.00 61.00 61.95 2qt3 s PRO 54 Cb 0.07 -1.81 -0.11 0.00 0.04 0.00 0.00 34.50 32.69 2qt3 s PRO 54 CO 0.12 -2.22 1.38 0.41 0.04 0.00 0.00 177.00 176.73 2qt3 n GLY 55 N -1.11 0.88 3.78 0.56 0.00 -1.07 -4.55 105.19 103.67 2qt3 n GLY 55 Ca 0.07 0.28 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 2qt3 n GLY 55 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qt3 s PHE 56 N -1.13 2.75 -0.24 1.61 0.08 -0.32 -4.72 117.98 116.01 2qt3 s PHE 56 Ca 0.56 1.54 0.01 0.00 0.12 0.00 0.00 56.93 59.16 2qt3 s PHE 56 Cb -0.51 -3.16 0.04 0.00 -0.57 0.00 0.00 43.02 38.82 2qt3 s PHE 56 CO 0.62 -1.45 -0.10 0.08 -0.10 0.00 0.00 175.22 174.27 2qt3 s VAL 57 N -2.15 2.47 -0.76 -0.44 1.01 -0.76 -2.08 120.40 117.68 2qt3 s VAL 57 Ca 0.68 -1.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 2qt3 s VAL 57 Cb -0.20 -2.30 0.17 0.00 0.00 0.00 0.00 36.38 34.05 2qt3 s VAL 57 CO 0.34 0.16 0.77 -0.62 0.00 0.00 0.00 175.10 175.75 2qt3 s ASP 58 N 1.23 6.56 0.00 3.32 -1.08 -0.64 -4.66 116.67 121.40 2qt3 s ASP 58 Ca -0.03 -2.25 0.11 0.00 -0.52 0.00 0.00 52.55 49.86 2qt3 s ASP 58 Cb -0.17 -2.25 0.65 0.00 -1.46 0.00 0.00 42.92 39.68 2qt3 s ASP 58 CO -0.06 -0.78 1.24 0.00 0.52 0.00 0.00 175.17 176.09 2qt3 n ALA 59 N 4.95 2.34 -3.15 3.66 0.00 -0.82 -2.36 120.51 125.12 2qt3 n ALA 59 Ca 0.07 -0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.49 2qt3 n ALA 59 Cb 0.45 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 2qt3 n ALA 59 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2qt3 s HIS 60 N -2.00 -1.36 0.28 0.00 5.65 -1.20 -4.45 115.29 112.21 2qt3 s HIS 60 Ca 0.16 1.06 0.02 0.00 0.25 0.00 0.00 55.06 56.55 2qt3 s HIS 60 Cb 0.07 0.33 -0.05 0.00 -1.18 0.00 0.00 32.58 31.76 2qt3 s HIS 60 CO 0.13 -0.77 0.11 0.95 -0.65 0.00 0.00 174.74 174.51 2qt3 s THR 61 N 2.88 0.53 -0.45 0.89 -4.23 -0.06 -0.53 115.64 114.67 2qt3 s THR 61 Ca 0.15 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.74 2qt3 s THR 61 Cb -0.10 -2.60 0.29 0.00 1.34 0.00 0.00 72.50 71.42 2qt3 s THR 61 CO -0.22 0.00 0.66 1.41 -0.54 0.00 0.00 174.62 175.94 2qt3 n HIS 62 N -0.52 0.92 -0.32 3.99 8.25 -1.26 -0.25 115.22 126.03 2qt3 n HIS 62 Ca -0.00 -3.78 0.10 0.00 -0.26 0.00 0.00 57.72 53.78 2qt3 n HIS 62 Cb 0.66 -0.42 0.32 0.00 1.12 0.00 0.00 29.99 31.67 2qt3 n HIS 62 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2qt3 h MET 63 N 3.63 0.80 -0.27 -0.41 2.86 -1.94 -2.83 114.93 116.77 2qt3 h MET 63 Ca 0.11 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 2qt3 h MET 63 Cb 0.83 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 2qt3 h MET 63 CO 0.57 0.53 0.18 0.38 1.06 0.00 0.00 176.91 179.63 2qt3 h ASP 64 N 0.82 0.17 -0.20 1.22 2.03 -1.87 -2.86 116.42 115.73 2qt3 h ASP 64 Ca 0.49 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.79 2qt3 h ASP 64 Cb 0.67 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.13 2qt3 h ASP 64 CO -0.26 0.12 0.00 2.29 -1.03 0.00 0.00 179.24 180.36 2qt3 n LYS 65 N -4.49 1.87 -1.58 4.15 2.85 -1.08 -4.77 118.16 115.11 2qt3 n LYS 65 Ca 0.02 -1.65 -0.33 0.00 -1.05 0.00 0.00 58.31 55.30 2qt3 n LYS 65 Cb 0.20 -1.24 0.07 0.00 -0.65 0.00 0.00 35.03 33.41 2qt3 n LYS 65 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2qt3 s SER 66 N -0.95 4.67 -0.25 -5.58 1.04 -1.08 -3.49 113.70 108.06 2qt3 s SER 66 Ca 0.18 2.13 0.00 0.00 0.48 0.00 0.00 55.95 58.74 2qt3 s SER 66 Cb 0.10 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.66 2qt3 s SER 66 CO 0.14 -1.93 0.00 0.49 0.98 0.00 0.00 173.24 172.92 2qt3 n PHE 67 N -2.64 0.00 0.49 5.02 3.72 -0.40 -4.86 117.46 118.79 2qt3 n PHE 67 Ca 0.11 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.64 2qt3 n PHE 67 Cb 0.51 -1.65 0.46 0.00 -0.94 0.00 0.00 39.48 37.86 2qt3 n PHE 67 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2qt3 n THR 68 N -2.31 0.73 1.24 4.37 -2.24 -0.69 -2.68 114.28 112.70 2qt3 n THR 68 Ca -0.02 0.02 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2qt3 n THR 68 Cb 0.39 -0.93 0.44 0.00 -2.10 0.00 0.00 70.33 68.13 2qt3 n THR 68 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2qt3 n SER 69 N -2.26 0.72 -4.89 3.42 3.41 -0.52 -4.87 113.62 108.63 2qt3 n SER 69 Ca 0.03 -0.62 -0.29 0.00 -0.26 0.00 0.00 58.87 57.73 2qt3 n SER 69 Cb 0.31 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2qt3 n SER 69 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2qt3 s THR 70 N -2.60 4.80 0.00 6.66 -4.23 -1.09 -1.16 115.64 118.02 2qt3 s THR 70 Ca 0.23 0.52 0.00 0.00 -1.18 0.00 0.00 61.69 61.26 2qt3 s THR 70 Cb 0.19 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 70.17 2qt3 s THR 70 CO 0.53 -0.99 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 2qt3 n GLY 71 N -2.50 0.96 3.83 3.99 0.00 -1.26 -4.91 105.19 105.29 2qt3 n GLY 71 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 2qt3 n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qt3 s GLU 72 N 0.00 2.25 0.25 1.61 0.41 -1.26 -5.02 118.70 116.95 2qt3 s GLU 72 Ca 0.00 -2.01 -0.05 0.00 -0.41 0.00 0.00 54.97 52.51 2qt3 s GLU 72 Cb 0.00 -1.98 0.33 0.00 -1.78 0.00 0.00 34.13 30.70 2qt3 s GLU 72 CO 0.00 -0.40 1.90 -0.09 -0.49 0.00 0.00 175.26 176.17 2qt3 h ARG 73 N 1.07 1.18 -6.41 1.61 9.65 -2.00 -3.42 114.38 116.05 2qt3 h ARG 73 Ca -0.40 -0.07 -0.62 0.00 -1.10 0.00 0.00 59.98 57.79 2qt3 h ARG 73 Cb 1.29 -0.27 -0.14 0.00 -1.39 0.00 0.00 29.97 29.46 2qt3 h ARG 73 CO 0.64 0.78 -0.74 -0.51 2.80 0.00 0.00 179.97 182.94 2qt3 s LEU 74 N -10.16 2.85 0.26 3.80 1.43 -1.26 -5.10 118.68 110.51 2qt3 s LEU 74 Ca -0.13 -0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 51.97 2qt3 s LEU 74 Cb 0.19 -1.50 -0.11 0.00 0.03 0.00 0.00 46.19 44.80 2qt3 s LEU 74 CO 0.81 0.08 1.57 -2.84 0.23 0.00 0.00 176.35 176.20 2qt3 s PRO 75 N -3.00 4.17 0.71 1.29 0.02 -1.26 -4.88 135.00 132.05 2qt3 s PRO 75 Ca 0.26 2.49 -0.12 0.00 0.02 0.00 0.00 61.00 63.65 2qt3 s PRO 75 Cb -0.08 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.40 2qt3 s PRO 75 CO 0.15 -0.59 1.07 0.15 -0.33 0.00 0.00 177.00 177.45 2qt3 s LYS 76 N -0.11 2.73 0.00 5.54 1.02 -0.31 -3.57 119.74 125.04 2qt3 s LYS 76 Ca 0.64 1.10 0.00 0.00 0.02 0.00 0.00 55.97 57.73 2qt3 s LYS 76 Cb -0.46 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 2qt3 s LYS 76 CO 0.43 -1.27 0.00 1.19 -0.92 0.00 0.00 175.35 174.78 2qt3 n PHE 77 N -3.07 0.00 -0.20 3.18 3.72 -1.26 -4.78 117.46 115.05 2qt3 n PHE 77 Ca 0.08 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.53 2qt3 n PHE 77 Cb 0.53 -0.29 0.12 0.00 -0.94 0.00 0.00 39.48 38.90 2qt3 n PHE 77 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 2qt3 n TRP 78 N -2.00 0.36 0.03 1.38 7.02 -1.23 -4.55 117.44 118.45 2qt3 n TRP 78 Ca 0.00 -0.53 -0.09 0.00 -1.02 0.00 0.00 57.50 55.86 2qt3 n TRP 78 Cb 0.00 -0.05 0.10 0.00 -2.42 0.00 0.00 31.31 28.93 2qt3 n TRP 78 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2qt3 n SER 79 N 0.15 3.30 -3.62 -0.99 7.64 -1.26 -4.78 113.62 114.07 2qt3 n SER 79 Ca 0.09 -2.67 -0.16 0.00 1.01 0.00 0.00 58.87 57.14 2qt3 n SER 79 Cb 0.41 -0.64 -0.07 0.00 -1.01 0.00 0.00 64.21 62.90 2qt3 n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qt3 s ARG 80 N -1.52 0.88 0.34 1.43 1.70 -1.26 -5.14 118.95 115.37 2qt3 s ARG 80 Ca 0.25 0.20 -0.26 0.00 -0.47 0.00 0.00 55.73 55.45 2qt3 s ARG 80 Cb 0.21 0.41 -0.13 0.00 -0.57 0.00 0.00 34.95 34.87 2qt3 s ARG 80 CO 0.05 -0.24 0.90 -0.35 -1.08 0.00 0.00 175.30 174.58 2qt3 n PRO 81 N 1.32 1.13 -2.03 3.89 -0.04 -1.26 -4.87 135.00 133.14 2qt3 n PRO 81 Ca -0.19 0.40 -0.42 0.00 -0.04 0.00 0.00 63.50 63.25 2qt3 n PRO 81 Cb 0.57 -1.77 -0.03 0.00 -0.04 0.00 0.00 33.50 32.22 2qt3 n PRO 81 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2qt3 s TYR 82 N -1.17 3.09 -0.13 0.54 5.04 -1.26 -5.02 117.35 118.44 2qt3 s TYR 82 Ca 0.61 0.90 -0.07 0.00 -2.44 0.00 0.00 57.07 56.06 2qt3 s TYR 82 Cb -0.67 -3.81 0.05 0.00 0.35 0.00 0.00 41.96 37.88 2qt3 s TYR 82 CO 0.59 -2.80 0.31 -0.08 -1.34 0.00 0.00 175.55 172.23 2qt3 s THR 83 N 0.58 -0.03 0.31 4.34 -1.32 -1.26 -5.05 115.64 113.21 2qt3 s THR 83 Ca 0.64 0.11 0.06 0.00 -1.21 0.00 0.00 61.69 61.28 2qt3 s THR 83 Cb -0.41 -0.47 0.30 0.00 -1.51 0.00 0.00 72.50 70.41 2qt3 s THR 83 CO 0.36 0.05 1.82 -0.09 -2.21 0.00 0.00 174.62 174.55 2qt3 h ARG 84 N 7.00 0.79 -0.32 7.08 2.43 -1.99 -2.20 114.38 127.16 2qt3 h ARG 84 Ca -0.38 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 58.70 2qt3 h ARG 84 Cb 1.17 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 2qt3 h ARG 84 CO 0.34 0.52 0.03 -0.44 -1.51 0.00 0.00 179.97 178.91 2qt3 h ASP 85 N 0.81 0.53 0.31 -3.80 3.32 -1.99 -0.46 116.42 115.16 2qt3 h ASP 85 Ca 0.52 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 2qt3 h ASP 85 Cb 0.75 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 2qt3 h ASP 85 CO -0.30 0.68 -0.31 0.00 -1.72 0.00 0.00 179.24 177.59 2qt3 h ALA 86 N 0.87 1.49 -0.04 3.45 0.00 -1.87 -0.10 119.26 123.06 2qt3 h ALA 86 Ca 0.10 -0.28 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 2qt3 h ALA 86 Cb 0.39 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2qt3 h ALA 86 CO 0.01 0.38 -0.92 0.00 0.00 0.00 0.00 179.25 178.73 2qt3 h ALA 87 N 1.69 0.30 -0.38 0.00 0.00 -1.18 -1.56 119.26 118.12 2qt3 h ALA 87 Ca -0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 54.91 54.11 2qt3 h ALA 87 Cb 0.54 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2qt3 h ALA 87 CO 0.04 0.73 -0.29 0.82 0.00 0.00 0.00 179.25 180.56 2qt3 h ILE 88 N 0.37 1.28 0.34 0.00 2.04 -0.70 -2.52 117.51 118.31 2qt3 h ILE 88 Ca -0.09 -1.43 -0.02 0.00 1.00 0.00 0.00 64.86 64.33 2qt3 h ILE 88 Cb 1.55 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.92 2qt3 h ILE 88 CO 0.17 0.48 -0.16 -0.33 0.00 0.00 0.00 178.15 178.31 2qt3 h GLU 89 N 0.69 -0.43 -1.00 2.37 5.08 -1.00 -2.35 114.58 117.95 2qt3 h GLU 89 Ca 0.08 0.03 0.24 0.00 -1.00 0.00 0.00 59.36 58.71 2qt3 h GLU 89 Cb 0.83 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.09 2qt3 h GLU 89 CO 0.07 -0.20 0.65 -0.44 -1.00 0.00 0.00 179.01 178.09 2qt3 h ASP 90 N -0.61 0.47 -0.42 1.42 3.32 -1.23 0.19 116.42 119.55 2qt3 h ASP 90 Ca -0.05 0.07 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 2qt3 h ASP 90 Cb 0.44 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2qt3 h ASP 90 CO 0.08 0.13 -0.22 1.23 -1.72 0.00 0.00 179.24 178.74 2qt3 h GLY 91 N 0.43 1.01 0.89 2.75 0.00 -1.14 -1.77 103.07 105.24 2qt3 h GLY 91 Ca 0.56 -0.88 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 2qt3 h GLY 91 CO -0.27 0.80 -0.07 1.41 0.00 0.00 0.00 176.54 178.42 2qt3 h LEU 92 N 0.80 0.57 0.41 3.11 3.38 -0.17 -1.94 115.31 121.48 2qt3 h LEU 92 Ca 0.11 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2qt3 h LEU 92 Cb 0.77 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2qt3 h LEU 92 CO 0.06 0.80 -0.27 0.11 0.09 0.00 0.00 178.44 179.24 2qt3 h LYS 93 N 0.34 -0.63 -0.12 1.13 6.56 -1.11 -1.82 116.57 120.92 2qt3 h LYS 93 Ca 0.08 0.04 0.05 0.00 -1.06 0.00 0.00 60.65 59.75 2qt3 h LYS 93 Cb 0.55 0.14 -0.06 0.00 -0.57 0.00 0.00 32.23 32.29 2qt3 h LYS 93 CO 0.03 -0.42 -0.34 -0.92 -2.06 0.00 0.00 179.45 175.74 2qt3 h TYR 94 N -0.65 -0.94 0.00 -1.35 3.20 -1.30 -1.20 116.97 114.73 2qt3 h TYR 94 Ca -0.04 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2qt3 h TYR 94 Cb 0.54 0.43 -0.00 0.00 1.54 0.00 0.00 36.73 39.24 2qt3 h TYR 94 CO -0.11 -0.41 -0.05 1.88 -1.64 0.00 0.00 178.16 177.83 2qt3 h TYR 95 N -0.42 0.00 0.03 -3.82 -1.99 -1.34 0.82 116.97 110.25 2qt3 h TYR 95 Ca 0.09 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.82 2qt3 h TYR 95 Cb 0.56 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.29 2qt3 h TYR 95 CO -0.41 0.05 -0.01 -0.22 -0.00 0.00 0.00 178.16 177.56 2qt3 h LYS 96 N 0.00 -0.03 0.00 4.88 3.64 -0.36 -3.38 116.57 121.31 2qt3 h LYS 96 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qt3 h LYS 96 Cb 0.33 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2qt3 h LYS 96 CO 0.01 0.66 -0.75 -0.91 -2.27 0.00 0.00 179.45 176.19 2qt3 h ASN 97 N -0.81 0.00 -3.34 4.20 4.21 -1.17 -3.48 115.58 115.19 2qt3 h ASN 97 Ca -0.00 -0.15 -0.53 0.00 1.21 0.00 0.00 56.30 56.83 2qt3 h ASN 97 Cb 0.71 0.00 0.06 0.00 -1.12 0.00 0.00 38.32 37.97 2qt3 h ASN 97 CO 0.01 0.07 0.77 0.00 -1.29 0.00 0.00 177.43 176.99 2qt3 s ALA 98 N -3.23 3.64 0.56 -0.83 0.00 0.27 -5.01 121.76 117.16 2qt3 s ALA 98 Ca 0.04 1.34 -0.04 0.00 0.00 0.00 0.00 51.96 53.30 2qt3 s ALA 98 Cb 0.12 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.68 2qt3 s ALA 98 CO 0.75 -0.76 0.85 0.95 0.00 0.00 0.00 175.76 177.55 2qt3 s THR 99 N 0.08 3.67 0.21 0.00 -4.23 -1.26 -4.96 115.64 109.15 2qt3 s THR 99 Ca 0.60 -0.12 -0.10 0.00 -1.18 0.00 0.00 61.69 60.89 2qt3 s THR 99 Cb -0.42 -3.44 0.16 0.00 1.34 0.00 0.00 72.50 70.14 2qt3 s THR 99 CO 0.43 -0.42 1.87 -0.74 -0.54 0.00 0.00 174.62 175.22 2qt3 h HIS 100 N -0.06 0.93 0.00 3.99 2.76 -1.95 -2.28 115.15 118.55 2qt3 h HIS 100 Ca -0.45 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 57.64 2qt3 h HIS 100 Cb 1.26 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.89 2qt3 h HIS 100 CO 0.46 0.56 -0.47 0.93 -1.30 0.00 0.00 177.93 178.12 2qt3 h GLU 101 N 0.99 0.00 0.10 5.26 4.39 -1.99 -2.22 114.58 121.11 2qt3 h GLU 101 Ca 0.29 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 2qt3 h GLU 101 Cb -0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2qt3 h GLU 101 CO -0.08 0.47 -0.05 0.93 -1.16 0.00 0.00 179.01 179.12 2qt3 h GLU 102 N 0.00 -0.13 -0.59 2.33 5.08 -1.81 -2.03 114.58 117.44 2qt3 h GLU 102 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2qt3 h GLU 102 Cb 0.83 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 2qt3 h GLU 102 CO 0.06 0.11 0.39 0.82 -1.00 0.00 0.00 179.01 179.38 2qt3 h ILE 103 N -0.35 1.15 -0.60 3.13 2.04 -1.39 -2.39 117.51 119.10 2qt3 h ILE 103 Ca -0.01 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2qt3 h ILE 103 Cb 0.29 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 2qt3 h ILE 103 CO 0.02 0.15 0.25 0.50 0.00 0.00 0.00 178.15 179.07 2qt3 h LYS 104 N 0.80 0.89 -0.16 2.37 3.64 -1.37 -1.94 116.57 120.80 2qt3 h LYS 104 Ca 0.21 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 2qt3 h LYS 104 Cb -0.08 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 2qt3 h LYS 104 CO -0.05 0.75 -0.18 0.07 -2.27 0.00 0.00 179.45 177.78 2qt3 h ARG 105 N 0.83 0.26 -0.35 1.90 0.11 -1.15 -1.19 114.38 114.79 2qt3 h ARG 105 Ca 0.20 -0.07 -0.10 0.00 0.10 0.00 0.00 59.98 60.11 2qt3 h ARG 105 Cb 0.19 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.23 2qt3 h ARG 105 CO -0.02 0.44 -0.18 0.45 0.10 0.00 0.00 179.97 180.76 2qt3 h HIS 106 N 0.24 0.85 -0.73 4.08 3.86 -1.07 -0.39 115.15 121.99 2qt3 h HIS 106 Ca 0.05 -0.21 0.01 0.00 -1.16 0.00 0.00 60.37 59.05 2qt3 h HIS 106 Cb 0.46 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.70 2qt3 h HIS 106 CO 0.01 0.94 0.48 0.28 0.86 0.00 0.00 177.93 180.50 2qt3 h VAL 107 N 0.52 1.19 -0.31 2.45 2.07 -0.87 -0.54 116.25 120.76 2qt3 h VAL 107 Ca 0.08 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 2qt3 h VAL 107 Cb 0.72 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2qt3 h VAL 107 CO 0.05 0.19 -0.30 0.40 0.02 0.00 0.00 177.57 177.92 2qt3 h ILE 108 N 0.99 1.28 -0.27 4.57 2.04 -1.08 -0.49 117.51 124.55 2qt3 h ILE 108 Ca 0.27 -1.42 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 2qt3 h ILE 108 Cb -0.11 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2qt3 h ILE 108 CO -0.06 0.46 0.11 -0.33 0.00 0.00 0.00 178.15 178.33 2qt3 h GLU 109 N 0.55 0.40 0.13 2.37 5.08 -0.60 -1.48 114.58 121.03 2qt3 h GLU 109 Ca 0.07 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2qt3 h GLU 109 Cb 0.79 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 2qt3 h GLU 109 CO 0.07 0.43 -0.16 1.25 -1.00 0.00 0.00 179.01 179.59 2qt3 h HIS 110 N 0.29 -0.42 -0.51 4.33 2.76 -0.87 -1.45 115.15 119.27 2qt3 h HIS 110 Ca 0.09 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.32 2qt3 h HIS 110 Cb 0.17 0.17 -0.05 0.00 1.55 0.00 0.00 27.41 29.25 2qt3 h HIS 110 CO -0.01 -0.25 0.22 0.00 -1.30 0.00 0.00 177.93 176.60 2qt3 h ALA 111 N 0.49 0.65 -0.74 5.26 0.00 -0.97 -0.44 119.26 123.50 2qt3 h ALA 111 Ca 0.01 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2qt3 h ALA 111 Cb 0.34 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2qt3 h ALA 111 CO -0.07 -0.15 0.38 0.45 0.00 0.00 0.00 179.25 179.86 2qt3 h HIS 112 N 0.44 1.05 -0.53 0.00 -0.00 -1.07 -0.31 115.15 114.72 2qt3 h HIS 112 Ca 0.24 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.54 2qt3 h HIS 112 Cb 0.21 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.26 2qt3 h HIS 112 CO -0.13 0.76 0.23 1.98 -0.00 0.00 0.00 177.93 180.77 2qt3 h MET 113 N 1.03 0.77 0.13 2.45 -1.53 -0.68 -1.71 114.93 115.41 2qt3 h MET 113 Ca 0.26 -0.13 -0.01 0.00 -3.44 0.00 0.00 59.70 56.38 2qt3 h MET 113 Cb 0.09 -0.13 0.00 0.00 -0.55 0.00 0.00 31.60 31.01 2qt3 h MET 113 CO -0.04 0.66 -0.06 1.96 0.14 0.00 0.00 176.91 179.57 2qt3 h GLN 114 N 0.71 -0.17 -0.82 0.39 4.20 -0.63 -3.07 115.11 115.71 2qt3 h GLN 114 Ca 0.18 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.99 2qt3 h GLN 114 Cb 0.16 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.91 2qt3 h GLN 114 CO -0.02 -0.03 0.48 0.28 -0.67 0.00 0.00 178.83 178.87 2qt3 h VAL 115 N -0.29 0.93 -0.04 -0.54 2.07 -0.98 -0.53 116.25 116.88 2qt3 h VAL 115 Ca -0.02 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.23 2qt3 h VAL 115 Cb 0.23 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 2qt3 h VAL 115 CO 0.03 0.15 0.04 -0.07 0.02 0.00 0.00 177.57 177.74 2qt3 h LEU 116 N 0.81 0.00 -1.86 2.57 3.38 -1.22 -1.46 115.31 117.53 2qt3 h LEU 116 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2qt3 h LEU 116 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2qt3 h LEU 116 CO -0.23 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.71 2qt3 n HIS 117 N -4.09 0.36 -0.09 1.13 8.25 -0.27 -4.72 115.22 115.79 2qt3 n HIS 117 Ca -0.02 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2qt3 n HIS 117 Cb 0.13 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 2qt3 n HIS 117 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qt3 n GLY 118 N 1.37 0.58 3.68 -1.41 0.00 -0.55 -4.73 105.19 104.13 2qt3 n GLY 118 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2qt3 n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qt3 s THR 119 N -2.16 4.83 -0.09 2.61 2.01 -0.80 -1.17 115.64 120.86 2qt3 s THR 119 Ca 0.00 1.85 0.01 0.00 0.31 0.00 0.00 61.69 63.86 2qt3 s THR 119 Cb 0.00 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.28 2qt3 s THR 119 CO 0.00 0.01 0.35 0.18 -0.69 0.00 0.00 174.62 174.47 2qt3 n LEU 120 N 5.15 0.71 -3.86 4.42 4.77 -0.89 -3.58 117.00 123.73 2qt3 n LEU 120 Ca 0.07 -0.82 -0.14 0.00 -0.03 0.00 0.00 56.01 55.09 2qt3 n LEU 120 Cb 0.49 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.43 2qt3 n LEU 120 CO 0.50 0.17 -0.37 -0.31 -1.33 0.00 0.00 177.39 176.06 2qt3 s TYR 121 N -0.43 0.10 -0.01 -1.77 2.02 -1.19 -1.24 117.35 114.83 2qt3 s TYR 121 Ca 0.01 0.01 -0.25 0.00 -0.37 0.00 0.00 57.07 56.47 2qt3 s TYR 121 Cb 0.01 -0.12 0.06 0.00 -0.40 0.00 0.00 41.96 41.50 2qt3 s TYR 121 CO 0.02 -0.03 0.56 -0.08 -1.57 0.00 0.00 175.55 174.46 2qt3 s THR 122 N 0.27 0.02 -0.24 -0.71 -1.32 -0.63 -1.62 115.64 111.41 2qt3 s THR 122 Ca -0.02 -0.16 0.02 0.00 -1.21 0.00 0.00 61.69 60.33 2qt3 s THR 122 Cb -0.04 -0.93 0.05 0.00 -1.51 0.00 0.00 72.50 70.08 2qt3 s THR 122 CO -0.01 -0.09 -0.13 -0.60 -2.21 0.00 0.00 174.62 171.59 2qt3 s ARG 123 N -1.71 2.37 0.04 7.08 3.52 -1.00 -1.15 118.95 128.10 2qt3 s ARG 123 Ca -0.09 -1.21 0.01 0.00 -0.13 0.00 0.00 55.73 54.31 2qt3 s ARG 123 Cb -0.01 -2.79 -0.04 0.00 -1.56 0.00 0.00 34.95 30.55 2qt3 s ARG 123 CO 0.04 -0.49 0.09 -0.08 -0.81 0.00 0.00 175.30 174.06 2qt3 s THR 124 N 1.16 4.70 -0.12 4.11 -1.32 0.14 -0.88 115.64 123.42 2qt3 s THR 124 Ca -0.06 -0.58 -0.05 0.00 -1.21 0.00 0.00 61.69 59.79 2qt3 s THR 124 Cb -0.18 -3.22 -0.04 0.00 -1.51 0.00 0.00 72.50 67.55 2qt3 s THR 124 CO -0.07 0.22 0.06 -1.00 -2.21 0.00 0.00 174.62 171.62 2qt3 s HIS 125 N -1.32 3.32 -0.13 9.09 3.76 0.66 -0.60 115.29 130.06 2qt3 s HIS 125 Ca 0.27 0.25 0.01 0.00 -0.15 0.00 0.00 55.06 55.45 2qt3 s HIS 125 Cb -0.12 -1.92 -0.00 0.00 1.11 0.00 0.00 32.58 31.65 2qt3 s HIS 125 CO 0.19 0.46 -0.17 0.08 -0.85 0.00 0.00 174.74 174.44 2qt3 s VAL 126 N -0.56 2.57 0.14 -0.90 1.01 -0.21 -4.51 120.40 117.94 2qt3 s VAL 126 Ca 0.11 -0.82 -0.31 0.00 0.00 0.00 0.00 61.98 60.95 2qt3 s VAL 126 Cb -0.12 -2.06 -0.10 0.00 0.00 0.00 0.00 36.38 34.10 2qt3 s VAL 126 CO 0.02 0.53 1.77 -1.81 0.00 0.00 0.00 175.10 175.61 2qt3 s ASP 127 N 0.58 6.45 -0.24 3.32 1.11 -1.26 -1.52 116.67 125.10 2qt3 s ASP 127 Ca -0.10 2.74 -0.02 0.00 0.18 0.00 0.00 52.55 55.35 2qt3 s ASP 127 Cb -0.16 -2.57 0.07 0.00 1.07 0.00 0.00 42.92 41.33 2qt3 s ASP 127 CO 0.03 -0.97 0.04 -0.69 1.18 0.00 0.00 175.17 174.76 2qt3 s VAL 128 N 2.31 0.81 0.14 -1.27 1.01 -0.03 -4.68 120.40 118.69 2qt3 s VAL 128 Ca 0.78 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 2qt3 s VAL 128 Cb -0.46 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.56 2qt3 s VAL 128 CO 0.35 -0.34 0.21 -0.90 0.00 0.00 0.00 175.10 174.41 2qt3 n ASP 129 N 4.92 -0.58 0.00 3.32 5.68 -1.26 -3.91 116.55 124.73 2qt3 n ASP 129 Ca -0.07 -1.73 0.11 0.00 -0.50 0.00 0.00 54.79 52.60 2qt3 n ASP 129 Cb 0.45 1.06 0.56 0.00 -1.14 0.00 0.00 41.12 42.04 2qt3 n ASP 129 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2qt3 n SER 130 N -1.85 0.00 -0.11 -1.12 3.41 -1.26 -0.50 113.62 112.19 2qt3 n SER 130 Ca -0.00 0.04 -0.23 0.00 -0.26 0.00 0.00 58.87 58.42 2qt3 n SER 130 Cb 0.23 -0.32 -0.12 0.00 -0.26 0.00 0.00 64.21 63.75 2qt3 n SER 130 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2qt3 n VAL 131 N -1.32 1.55 0.10 -3.33 0.31 -1.26 -4.46 118.33 109.92 2qt3 n VAL 131 Ca 0.10 -0.47 0.04 0.00 -0.01 0.00 0.00 64.34 64.00 2qt3 n VAL 131 Cb 0.19 -1.68 -0.00 0.00 -0.91 0.00 0.00 33.84 31.44 2qt3 n VAL 131 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qt3 h ALA 132 N -0.36 0.67 -0.79 3.52 0.00 -1.80 -3.41 119.26 117.08 2qt3 h ALA 132 Ca -0.57 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 53.88 2qt3 h ALA 132 Cb 1.77 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2qt3 h ALA 132 CO -0.18 0.53 0.00 1.63 0.00 0.00 0.00 179.25 181.23 2qt3 n LYS 133 N -2.97 0.00 -0.06 0.00 4.76 0.34 -1.41 118.16 118.83 2qt3 n LYS 133 Ca -0.03 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.44 2qt3 n LYS 133 Cb 0.71 0.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.96 2qt3 n LYS 133 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2qt3 n THR 134 N 0.00 1.16 -0.03 -0.18 -2.24 -1.26 -4.18 114.28 107.55 2qt3 n THR 134 Ca 0.00 -1.19 -0.09 0.00 -2.27 0.00 0.00 64.05 60.50 2qt3 n THR 134 Cb 0.00 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 2qt3 n THR 134 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2qt3 h LYS 135 N 0.50 0.07 -0.58 -0.78 3.64 -1.61 0.63 116.57 118.44 2qt3 h LYS 135 Ca 0.00 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2qt3 h LYS 135 Cb 0.65 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2qt3 h LYS 135 CO 0.01 0.04 0.01 0.00 -2.27 0.00 0.00 179.45 177.24 2qt3 h ALA 136 N 1.13 0.93 -0.44 5.00 0.00 -1.84 -2.56 119.26 121.48 2qt3 h ALA 136 Ca 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2qt3 h ALA 136 Cb 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2qt3 h ALA 136 CO -0.12 0.64 0.24 0.28 0.00 0.00 0.00 179.25 180.29 2qt3 h VAL 137 N 0.91 1.16 -0.42 0.00 2.07 -1.72 -1.83 116.25 116.43 2qt3 h VAL 137 Ca 0.17 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2qt3 h VAL 137 Cb 0.52 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2qt3 h VAL 137 CO 0.03 0.17 0.25 -0.33 0.02 0.00 0.00 177.57 177.70 2qt3 h GLU 138 N 0.57 0.57 -0.63 1.57 5.08 -0.72 -1.58 114.58 119.44 2qt3 h GLU 138 Ca 0.15 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2qt3 h GLU 138 Cb 0.06 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2qt3 h GLU 138 CO -0.02 0.42 0.23 0.00 -1.00 0.00 0.00 179.01 178.64 2qt3 h ALA 139 N 1.11 0.82 -0.15 3.43 0.00 -1.34 -1.68 119.26 121.45 2qt3 h ALA 139 Ca 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2qt3 h ALA 139 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2qt3 h ALA 139 CO -0.03 0.46 0.02 0.28 0.00 0.00 0.00 179.25 179.99 2qt3 h VAL 140 N 0.89 1.22 -0.58 0.00 2.07 -1.15 -0.72 116.25 117.99 2qt3 h VAL 140 Ca 0.21 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 2qt3 h VAL 140 Cb 0.24 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2qt3 h VAL 140 CO -0.01 0.21 0.24 -0.07 0.02 0.00 0.00 177.57 177.96 2qt3 h LEU 141 N 0.02 0.75 0.25 2.57 3.38 -1.25 0.22 115.31 121.26 2qt3 h LEU 141 Ca 0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2qt3 h LEU 141 Cb 0.31 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2qt3 h LEU 141 CO 0.00 0.67 -0.12 -0.08 0.09 0.00 0.00 178.44 179.01 2qt3 h GLU 142 N 0.82 -0.32 -0.96 1.13 4.81 -1.12 -2.38 114.58 116.57 2qt3 h GLU 142 Ca 0.20 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.50 2qt3 h GLU 142 Cb 0.15 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.54 2qt3 h GLU 142 CO -0.02 -0.07 0.62 0.00 -0.73 0.00 0.00 179.01 178.81 2qt3 h ALA 143 N 0.17 1.30 -0.66 2.92 0.00 -0.82 -1.92 119.26 120.25 2qt3 h ALA 143 Ca -0.03 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.95 2qt3 h ALA 143 Cb 0.39 -0.31 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 2qt3 h ALA 143 CO 0.06 0.45 0.25 -0.22 0.00 0.00 0.00 179.25 179.78 2qt3 h LYS 144 N 1.16 0.41 -0.26 0.00 3.64 -0.34 -0.60 116.57 120.58 2qt3 h LYS 144 Ca 0.40 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 2qt3 h LYS 144 Cb 0.09 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2qt3 h LYS 144 CO -0.15 0.27 0.14 1.49 -2.27 0.00 0.00 179.45 178.94 2qt3 h GLU 145 N 0.42 0.37 0.00 1.90 4.57 -0.84 -1.96 114.58 119.04 2qt3 h GLU 145 Ca 0.34 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 2qt3 h GLU 145 Cb 0.45 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2qt3 h GLU 145 CO -0.34 0.32 0.00 0.39 -1.18 0.00 0.00 179.01 178.21 2qt3 n GLU 146 N -4.84 0.17 0.00 1.92 1.02 -0.64 -2.65 120.64 115.62 2qt3 n GLU 146 Ca -0.02 0.52 0.07 0.00 -0.02 0.00 0.00 57.16 57.71 2qt3 n GLU 146 Cb 0.08 -1.92 0.05 0.00 -0.02 0.00 0.00 31.44 29.63 2qt3 n GLU 146 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2qt3 n LEU 147 N -2.26 2.11 0.27 -4.62 4.77 -0.33 -4.70 117.00 112.24 2qt3 n LEU 147 Ca 0.00 -0.97 0.15 0.00 -0.03 0.00 0.00 56.01 55.17 2qt3 n LEU 147 Cb 0.14 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 41.96 2qt3 n LEU 147 CO 0.15 0.39 1.13 0.07 -1.33 0.00 0.00 177.39 177.80 2qt3 h LYS 148 N 2.67 0.00 -0.18 3.23 2.10 -1.15 0.11 116.57 123.35 2qt3 h LYS 148 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2qt3 h LYS 148 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 2qt3 h LYS 148 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 2qt3 n ASP 149 N -3.04 2.23 -0.00 7.07 8.00 -1.26 -4.29 116.55 125.25 2qt3 n ASP 149 Ca 0.01 -1.78 -0.00 0.00 0.71 0.00 0.00 54.79 53.72 2qt3 n ASP 149 Cb 0.51 -0.11 -0.00 0.00 -0.02 0.00 0.00 41.12 41.49 2qt3 n ASP 149 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qt3 n LEU 150 N 0.70 1.83 -3.62 0.64 4.77 0.35 -4.95 117.00 116.73 2qt3 n LEU 150 Ca 0.17 -0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.99 2qt3 n LEU 150 Cb 0.43 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.44 2qt3 n LEU 150 CO 0.14 0.31 0.32 -0.51 -1.33 0.00 0.00 177.39 176.33 2qt3 s ILE 151 N -2.01 0.01 -0.23 -0.08 2.07 -0.88 -4.84 121.20 115.24 2qt3 s ILE 151 Ca -0.00 -0.08 -0.18 0.00 -1.41 0.00 0.00 60.65 58.98 2qt3 s ILE 151 Cb 0.00 -0.88 -0.03 0.00 0.13 0.00 0.00 42.46 41.68 2qt3 s ILE 151 CO 0.01 -0.04 0.51 -1.81 -1.91 0.00 0.00 174.94 171.70 2qt3 s ASP 152 N -0.61 6.49 -0.14 4.50 1.01 -0.37 -4.33 116.67 123.23 2qt3 s ASP 152 Ca -0.07 0.59 0.01 0.00 0.71 0.00 0.00 52.55 53.80 2qt3 s ASP 152 Cb -0.03 -2.28 -0.00 0.00 1.01 0.00 0.00 42.92 41.62 2qt3 s ASP 152 CO 0.05 -0.23 -0.18 -0.63 0.21 0.00 0.00 175.17 174.40 2qt3 s ILE 153 N 1.96 2.50 -0.17 0.77 1.01 -1.26 -1.60 121.20 124.42 2qt3 s ILE 153 Ca 0.22 -0.84 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 2qt3 s ILE 153 Cb -0.15 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 2qt3 s ILE 153 CO 0.09 0.53 0.10 -1.10 0.00 0.00 0.00 174.94 174.56 2qt3 s GLN 154 N 0.63 3.86 -0.21 2.79 -0.21 -0.30 -5.00 119.66 121.21 2qt3 s GLN 154 Ca -0.10 -0.26 -0.04 0.00 0.02 0.00 0.00 55.36 54.98 2qt3 s GLN 154 Cb -0.16 -3.25 -0.01 0.00 1.00 0.00 0.00 33.01 30.59 2qt3 s GLN 154 CO 0.03 0.42 -0.03 0.08 -2.12 0.00 0.00 175.29 173.67 2qt3 s VAL 155 N -0.02 3.55 -0.25 1.09 1.01 -1.26 -0.69 120.40 123.83 2qt3 s VAL 155 Ca 0.08 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 2qt3 s VAL 155 Cb -0.12 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 2qt3 s VAL 155 CO 0.00 0.42 0.17 -0.69 0.00 0.00 0.00 175.10 175.00 2qt3 s VAL 156 N 1.33 5.35 -0.56 2.92 1.01 0.23 -0.79 120.40 129.89 2qt3 s VAL 156 Ca 0.04 0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.92 2qt3 s VAL 156 Cb -0.14 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.74 2qt3 s VAL 156 CO -0.01 0.33 1.46 0.00 0.00 0.00 0.00 175.10 176.87 2qt3 s ALA 157 N 1.19 2.77 -0.39 5.51 0.00 0.95 -1.05 121.76 130.74 2qt3 s ALA 157 Ca 0.07 -0.65 -0.15 0.00 0.00 0.00 0.00 51.96 51.24 2qt3 s ALA 157 Cb -0.14 -4.11 0.01 0.00 0.00 0.00 0.00 23.12 18.88 2qt3 s ALA 157 CO 0.06 -2.99 0.31 0.12 0.00 0.00 0.00 175.76 173.25 2qt3 s PHE 158 N 6.28 3.23 -1.50 0.00 5.36 -0.58 -1.38 117.98 129.39 2qt3 s PHE 158 Ca 0.54 -0.45 -0.13 0.00 -0.96 0.00 0.00 56.93 55.93 2qt3 s PHE 158 Cb -0.11 -2.61 -0.02 0.00 -0.34 0.00 0.00 43.02 39.95 2qt3 s PHE 158 CO 0.25 -0.54 2.51 0.00 -1.46 0.00 0.00 175.22 175.97 2qt3 n ALA 159 N 5.21 6.27 -0.38 11.12 0.00 -0.03 -0.85 120.51 141.85 2qt3 n ALA 159 Ca -0.11 -3.71 0.33 0.00 0.00 0.00 0.00 53.44 49.95 2qt3 n ALA 159 Cb 0.48 -3.47 0.65 0.00 0.00 0.00 0.00 19.45 17.10 2qt3 n ALA 159 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2qt3 h GLN 160 N 5.66 0.16 0.00 0.00 -0.00 -1.85 -1.15 115.11 117.93 2qt3 h GLN 160 Ca 0.68 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.33 2qt3 h GLN 160 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.94 2qt3 h GLN 160 CO 1.85 0.10 -0.79 0.43 0.00 0.00 0.00 178.83 180.42 2qt3 n SER 161 N -4.44 0.63 0.00 -0.69 7.64 -1.26 -4.89 113.62 110.61 2qt3 n SER 161 Ca 0.30 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2qt3 n SER 161 Cb 1.22 0.55 0.00 0.00 -1.01 0.00 0.00 64.21 64.98 2qt3 n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qt3 n GLY 162 N 1.43 2.02 0.27 0.23 0.00 -0.43 -4.37 105.19 104.33 2qt3 n GLY 162 Ca 0.04 -1.48 0.12 0.00 0.00 0.00 0.00 46.02 44.69 2qt3 n GLY 162 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2qt3 h PHE 163 N 0.00 0.00 -0.34 1.61 0.04 -1.83 -2.19 116.94 114.23 2qt3 h PHE 163 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2qt3 h PHE 163 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2qt3 h PHE 163 CO 0.00 0.07 0.00 1.19 -0.60 0.00 0.00 178.31 178.97 2qt3 n PHE 164 N -3.90 0.45 -0.08 -0.55 3.72 -1.26 -4.24 117.46 111.59 2qt3 n PHE 164 Ca -0.02 -0.33 -0.13 0.00 -0.05 0.00 0.00 57.45 56.92 2qt3 n PHE 164 Cb 0.16 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.63 2qt3 n PHE 164 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2qt3 n VAL 165 N 0.98 0.90 -3.82 -4.37 0.31 -1.05 -4.78 118.33 106.50 2qt3 n VAL 165 Ca 0.15 -0.31 -0.34 0.00 -0.01 0.00 0.00 64.34 63.83 2qt3 n VAL 165 Cb 0.48 -1.27 -0.12 0.00 -0.91 0.00 0.00 33.84 32.03 2qt3 n VAL 165 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qt3 s ASP 166 N -5.82 4.91 0.00 4.52 -1.08 -0.85 -4.96 116.67 113.39 2qt3 s ASP 166 Ca -0.22 -2.79 0.00 0.00 -0.52 0.00 0.00 52.55 49.02 2qt3 s ASP 166 Cb 0.07 -1.77 0.00 0.00 -1.46 0.00 0.00 42.92 39.76 2qt3 s ASP 166 CO 0.34 -0.34 0.68 0.18 0.52 0.00 0.00 175.17 176.54 2qt3 n LEU 167 N 3.50 0.00 -0.04 -1.34 4.77 -1.26 -0.92 117.00 121.72 2qt3 n LEU 167 Ca 0.06 0.17 0.11 0.00 -0.03 0.00 0.00 56.01 56.33 2qt3 n LEU 167 Cb 0.36 -0.17 0.15 0.00 -2.33 0.00 0.00 43.42 41.43 2qt3 n LEU 167 CO 0.33 -0.17 0.32 1.21 -1.33 0.00 0.00 177.39 177.75 2qt3 n GLU 168 N -1.17 0.12 -0.13 3.23 2.13 -1.26 -4.40 120.64 119.16 2qt3 n GLU 168 Ca 0.00 -0.08 -0.05 0.00 0.66 0.00 0.00 57.16 57.69 2qt3 n GLU 168 Cb 0.00 -1.50 0.03 0.00 0.27 0.00 0.00 31.44 30.25 2qt3 n GLU 168 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2qt3 h SER 169 N 0.19 0.11 -0.51 4.31 0.02 -1.34 -2.57 113.55 113.76 2qt3 h SER 169 Ca 0.00 0.05 0.07 0.00 -0.84 0.00 0.00 61.79 61.08 2qt3 h SER 169 Cb 0.51 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.04 2qt3 h SER 169 CO 0.00 0.09 0.18 -0.08 -1.14 0.00 0.00 176.83 175.88 2qt3 h GLU 170 N 0.27 0.34 -0.29 3.45 4.81 -1.80 0.60 114.58 121.96 2qt3 h GLU 170 Ca 0.19 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.26 2qt3 h GLU 170 Cb 0.20 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 2qt3 h GLU 170 CO -0.22 0.23 -0.36 0.66 -0.73 0.00 0.00 179.01 178.59 2qt3 h SER 171 N 0.35 0.82 0.19 1.04 4.64 -1.83 -2.27 113.55 116.49 2qt3 h SER 171 Ca 0.25 -0.49 -0.03 0.00 -0.47 0.00 0.00 61.79 61.04 2qt3 h SER 171 Cb 0.27 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2qt3 h SER 171 CO -0.26 1.15 -0.14 -0.07 -0.87 0.00 0.00 176.83 176.64 2qt3 h LEU 172 N 0.51 0.00 -0.19 5.97 3.38 -1.17 -1.71 115.31 122.10 2qt3 h LEU 172 Ca 0.04 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 2qt3 h LEU 172 Cb 0.94 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.70 2qt3 h LEU 172 CO 0.09 0.14 -0.89 0.40 0.09 0.00 0.00 178.44 178.27 2qt3 h ILE 173 N 0.00 1.35 -0.53 1.22 1.08 -0.70 -1.95 117.51 117.98 2qt3 h ILE 173 Ca -0.00 -2.25 -0.03 0.00 -0.39 0.00 0.00 64.86 62.19 2qt3 h ILE 173 Cb 0.27 2.26 -0.02 0.00 -3.07 0.00 0.00 36.82 36.26 2qt3 h ILE 173 CO 0.02 0.69 0.22 0.03 -0.69 0.00 0.00 178.15 178.42 2qt3 h ARG 174 N 0.33 0.79 -0.41 2.37 3.08 -0.75 0.11 114.38 119.90 2qt3 h ARG 174 Ca -0.07 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 2qt3 h ARG 174 Cb 1.51 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.41 2qt3 h ARG 174 CO 0.16 0.68 0.20 0.87 -1.07 0.00 0.00 179.97 180.82 2qt3 h LYS 175 N 0.72 0.58 -0.73 0.04 1.57 -1.32 0.26 116.57 117.69 2qt3 h LYS 175 Ca 0.18 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2qt3 h LYS 175 Cb 0.18 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2qt3 h LYS 175 CO -0.02 0.50 0.36 0.77 -0.57 0.00 0.00 179.45 180.49 2qt3 h SER 176 N 0.52 0.95 0.16 0.86 0.02 -1.08 0.22 113.55 115.20 2qt3 h SER 176 Ca 0.14 -0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 2qt3 h SER 176 Cb 0.10 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2qt3 h SER 176 CO -0.02 0.81 -0.44 -0.07 -1.14 0.00 0.00 176.83 175.97 2qt3 h LEU 177 N 1.02 0.38 -0.85 5.07 3.38 -0.46 -2.67 115.31 121.18 2qt3 h LEU 177 Ca 0.25 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 2qt3 h LEU 177 Cb 0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2qt3 h LEU 177 CO -0.03 0.77 -0.38 -0.78 0.09 0.00 0.00 178.44 178.11 2qt3 h ASP 178 N 0.29 0.41 0.46 -0.43 1.82 0.34 -2.34 116.42 116.97 2qt3 h ASP 178 Ca 0.02 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.49 2qt3 h ASP 178 Cb 0.90 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.79 2qt3 h ASP 178 CO 0.07 0.76 0.00 0.23 -1.61 0.00 0.00 179.24 178.69 2qt3 n MET 179 N -4.04 0.09 0.00 0.28 2.81 0.69 -4.87 117.12 112.07 2qt3 n MET 179 Ca -0.01 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 2qt3 n MET 179 Cb 0.48 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 2qt3 n MET 179 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qt3 n GLY 180 N 0.14 0.97 3.65 3.03 0.00 -0.88 -5.08 105.19 107.02 2qt3 n GLY 180 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2qt3 n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qt3 h ASP 182 N 2.09 0.00 -5.39 0.00 3.32 -1.33 -3.45 116.42 111.66 2qt3 h ASP 182 Ca -0.44 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.46 2qt3 h ASP 182 Cb 1.31 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.74 2qt3 h ASP 182 CO 0.60 0.41 -0.38 -0.76 -1.72 0.00 0.00 179.24 177.39 2qt3 s LEU 183 N -6.37 0.85 0.06 1.55 1.02 -0.65 -3.72 118.68 111.42 2qt3 s LEU 183 Ca 0.04 -1.11 0.05 0.00 0.02 0.00 0.00 54.13 53.14 2qt3 s LEU 183 Cb 0.07 1.04 -0.03 0.00 0.02 0.00 0.00 46.19 47.29 2qt3 s LEU 183 CO 0.74 -0.95 -0.15 0.54 0.02 0.00 0.00 176.35 176.55 2qt3 s VAL 184 N -4.06 1.17 -0.09 -1.59 0.11 -0.81 -0.03 120.40 115.09 2qt3 s VAL 184 Ca 0.28 -1.19 -0.31 0.00 -2.93 0.00 0.00 61.98 57.83 2qt3 s VAL 184 Cb 0.04 -1.09 0.09 0.00 -1.53 0.00 0.00 36.38 33.89 2qt3 s VAL 184 CO 0.08 -0.11 0.81 -0.83 -3.33 0.00 0.00 175.10 171.72 2qt3 s GLY 185 N -1.48 -0.46 0.00 6.54 0.00 -0.48 -2.07 107.32 109.37 2qt3 s GLY 185 Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 44.72 46.31 2qt3 s GLY 185 CO 0.02 0.98 0.00 0.61 0.00 0.00 0.00 173.10 174.71 2qt3 n GLY 186 N 0.82 5.18 3.30 0.20 0.00 -1.26 -0.85 105.19 112.59 2qt3 n GLY 186 Ca -0.15 -2.14 -0.19 0.00 0.00 0.00 0.00 46.02 43.54 2qt3 n GLY 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qt3 s VAL 187 N -0.06 1.59 0.00 1.61 1.01 -1.26 -1.65 120.40 121.63 2qt3 s VAL 187 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.98 2qt3 s VAL 187 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2qt3 s VAL 187 CO 0.00 -0.50 0.00 0.47 0.00 0.00 0.00 175.10 175.07 2qt3 n ASP 188 N 0.03 0.00 -0.04 3.32 8.00 -0.74 -4.58 116.55 122.54 2qt3 n ASP 188 Ca -0.11 0.00 0.24 0.00 0.71 0.00 0.00 54.79 55.62 2qt3 n ASP 188 Cb 0.59 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 42.41 2qt3 n ASP 188 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2qt3 h PRO 189 N 0.07 0.00 0.00 -0.24 0.11 -1.90 -2.17 132.00 127.87 2qt3 h PRO 189 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2qt3 h PRO 189 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2qt3 h PRO 189 CO 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 2qt3 n ALA 190 N -2.55 0.00 0.34 -0.75 0.00 -1.26 -2.22 120.51 114.07 2qt3 n ALA 190 Ca 0.12 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.68 2qt3 n ALA 190 Cb 0.76 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.77 2qt3 n ALA 190 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2qt3 h THR 191 N 0.00 0.00 0.00 0.00 1.35 -1.96 0.22 112.91 112.52 2qt3 h THR 191 Ca 0.00 -0.23 -0.37 0.00 -0.55 0.00 0.00 66.41 65.26 2qt3 h THR 191 Cb 0.00 0.97 -0.05 0.00 -1.73 0.00 0.00 68.15 67.34 2qt3 h THR 191 CO 0.00 0.00 -2.21 -1.14 -0.25 0.00 0.00 175.52 171.92 2qt3 n ARG 192 N -2.38 0.56 0.06 4.72 3.00 -0.86 -4.66 116.66 117.10 2qt3 n ARG 192 Ca 0.01 0.24 -0.07 0.00 -0.00 0.00 0.00 57.85 58.03 2qt3 n ARG 192 Cb 0.21 -1.45 -0.12 0.00 0.00 0.00 0.00 32.46 31.09 2qt3 n ARG 192 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2qt3 h GLU 193 N -0.98 0.01 -5.21 -0.14 4.39 -1.51 -3.46 114.58 107.69 2qt3 h GLU 193 Ca -0.55 -0.01 -0.41 0.00 0.34 0.00 0.00 59.36 58.73 2qt3 h GLU 193 Cb 1.48 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 30.17 2qt3 h GLU 193 CO -0.34 0.98 -0.64 0.09 -1.16 0.00 0.00 179.01 177.94 2qt3 n ASN 194 N -3.34 -5.65 -2.90 1.42 5.03 0.78 -4.82 115.26 105.78 2qt3 n ASN 194 Ca -0.01 -0.43 0.00 0.00 0.87 0.00 0.00 54.58 55.01 2qt3 n ASN 194 Cb 0.95 -4.53 0.00 0.00 -1.02 0.00 0.00 39.78 35.18 2qt3 n ASN 194 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 2qt3 s ASN 195 N -2.93 -0.84 0.03 6.41 3.84 -0.94 -5.04 114.94 115.46 2qt3 s ASN 195 Ca 0.44 -0.55 -0.23 0.00 0.21 0.00 0.00 52.86 52.73 2qt3 s ASN 195 Cb -0.20 1.08 -0.16 0.00 -0.55 0.00 0.00 41.25 41.41 2qt3 s ASN 195 CO 0.54 -0.08 1.42 0.58 -2.79 0.00 0.00 177.10 176.77 2qt3 h VAL 196 N 4.00 1.28 -0.43 -5.21 2.07 -1.89 -1.92 116.25 114.15 2qt3 h VAL 196 Ca 0.01 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.56 2qt3 h VAL 196 Cb 1.20 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 2qt3 h VAL 196 CO -0.01 0.25 -0.02 -0.33 0.02 0.00 0.00 177.57 177.48 2qt3 h GLU 197 N -0.20 0.78 -0.12 1.57 4.39 -1.97 -2.80 114.58 116.22 2qt3 h GLU 197 Ca 0.02 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.44 2qt3 h GLU 197 Cb 0.40 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2qt3 h GLU 197 CO 0.01 0.86 0.01 0.78 -1.16 0.00 0.00 179.01 179.50 2qt3 h GLY 198 N 0.62 0.22 1.07 -3.84 0.00 -1.97 -1.19 103.07 97.99 2qt3 h GLY 198 Ca 0.12 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 2qt3 h GLY 198 CO 0.03 0.15 -0.16 1.48 0.00 0.00 0.00 176.54 178.04 2qt3 h SER 199 N -0.04 0.96 -0.17 0.19 4.64 -1.43 -1.86 113.55 115.83 2qt3 h SER 199 Ca 0.04 -0.38 -0.02 0.00 -0.47 0.00 0.00 61.79 60.96 2qt3 h SER 199 Cb 0.33 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2qt3 h SER 199 CO 0.00 1.12 0.02 -0.07 -0.87 0.00 0.00 176.83 177.04 2qt3 h LEU 200 N 0.79 0.28 -0.79 5.97 3.38 -1.53 -1.36 115.31 122.06 2qt3 h LEU 200 Ca 0.12 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.83 2qt3 h LEU 200 Cb 0.72 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2qt3 h LEU 200 CO 0.06 0.48 0.52 0.44 0.09 0.00 0.00 178.44 180.03 2qt3 h ASP 201 N 0.07 0.89 -0.45 -0.43 3.32 -1.20 -1.62 116.42 117.00 2qt3 h ASP 201 Ca 0.05 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 2qt3 h ASP 201 Cb 0.32 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2qt3 h ASP 201 CO 0.00 0.64 0.15 0.25 -1.72 0.00 0.00 179.24 178.56 2qt3 h LEU 202 N 1.05 0.66 -0.87 1.55 5.85 -1.23 -1.24 115.31 121.09 2qt3 h LEU 202 Ca 0.30 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2qt3 h LEU 202 Cb -0.09 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 2qt3 h LEU 202 CO -0.08 0.68 0.56 0.00 -0.34 0.00 0.00 178.44 179.27 2qt3 h PHE 204 N 1.12 0.47 0.01 0.00 -1.00 -1.05 -1.12 116.94 115.36 2qt3 h PHE 204 Ca 0.34 -0.10 -0.00 0.00 2.81 0.00 0.00 57.97 61.01 2qt3 h PHE 204 Cb -0.04 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.40 2qt3 h PHE 204 CO -0.02 0.67 -0.00 -0.22 -1.61 0.00 0.00 178.31 177.12 2qt3 h LYS 205 N 0.36 -0.01 -0.80 1.51 3.64 -0.03 -1.01 116.57 120.23 2qt3 h LYS 205 Ca 0.05 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2qt3 h LYS 205 Cb 0.69 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 2qt3 h LYS 205 CO 0.05 0.10 0.39 -0.07 -2.27 0.00 0.00 179.45 177.65 2qt3 h LEU 206 N -0.12 1.03 -0.22 5.20 3.38 -1.09 -1.78 115.31 121.70 2qt3 h LEU 206 Ca -0.00 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2qt3 h LEU 206 Cb 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2qt3 h LEU 206 CO 0.00 0.87 0.13 0.00 0.09 0.00 0.00 178.44 179.53 2qt3 h ALA 207 N 1.29 0.28 -0.33 1.53 0.00 -0.88 -2.81 119.26 118.34 2qt3 h ALA 207 Ca 0.28 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2qt3 h ALA 207 Cb 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2qt3 h ALA 207 CO -0.04 -0.26 -0.16 0.87 0.00 0.00 0.00 179.25 179.66 2qt3 h LYS 208 N 0.28 0.59 -0.58 0.00 1.57 -0.93 0.29 116.57 117.79 2qt3 h LYS 208 Ca 0.08 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2qt3 h LYS 208 Cb -0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2qt3 h LYS 208 CO -0.03 0.73 0.39 0.93 -0.57 0.00 0.00 179.45 180.90 2qt3 h GLU 209 N 0.54 0.70 -0.22 3.15 5.08 -1.08 -2.54 114.58 120.21 2qt3 h GLU 209 Ca 0.09 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2qt3 h GLU 209 Cb 0.59 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2qt3 h GLU 209 CO 0.04 0.46 0.00 0.66 -1.00 0.00 0.00 179.01 179.17 2qt3 n TYR 210 N -4.46 0.29 -4.01 4.33 4.01 -1.11 -5.00 117.16 111.22 2qt3 n TYR 210 Ca 0.06 -0.34 -0.29 0.00 -0.16 0.00 0.00 57.90 57.17 2qt3 n TYR 210 Cb 0.10 -0.02 -0.01 0.00 -0.31 0.00 0.00 39.34 39.10 2qt3 n TYR 210 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2qt3 n ASP 211 N 0.48 -2.19 -4.68 7.72 2.03 0.88 -4.98 116.55 115.81 2qt3 n ASP 211 Ca 0.09 -0.95 -0.23 0.00 0.52 0.00 0.00 54.79 54.23 2qt3 n ASP 211 Cb 0.36 -3.22 -0.07 0.00 -0.72 0.00 0.00 41.12 37.48 2qt3 n ASP 211 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2qt3 s VAL 212 N -3.60 3.46 0.81 5.18 -7.23 -0.34 -5.01 120.40 113.67 2qt3 s VAL 212 Ca 0.36 -1.82 -0.12 0.00 -1.81 0.00 0.00 61.98 58.59 2qt3 s VAL 212 Cb -0.19 -2.93 0.09 0.00 0.56 0.00 0.00 36.38 33.91 2qt3 s VAL 212 CO 0.88 -0.33 1.17 -1.81 -0.31 0.00 0.00 175.10 174.70 2qt3 s ASP 213 N -3.72 4.45 -0.00 4.85 1.11 -1.24 -4.64 116.67 117.47 2qt3 s ASP 213 Ca 0.33 0.70 0.08 0.00 0.18 0.00 0.00 52.55 53.84 2qt3 s ASP 213 Cb -0.06 -1.18 -0.02 0.00 1.07 0.00 0.00 42.92 42.73 2qt3 s ASP 213 CO 0.21 -1.93 -0.26 -0.63 1.18 0.00 0.00 175.17 173.75 2qt3 s ILE 214 N -3.56 2.03 -0.23 0.77 1.01 -0.38 -1.92 121.20 118.92 2qt3 s ILE 214 Ca 0.63 -1.17 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 2qt3 s ILE 214 Cb -0.10 -1.70 0.08 0.00 0.01 0.00 0.00 42.46 40.74 2qt3 s ILE 214 CO 0.49 0.50 0.10 -0.62 0.00 0.00 0.00 174.94 175.41 2qt3 s ASP 215 N -0.78 2.96 -0.12 3.58 -1.08 -0.88 -0.49 116.67 119.86 2qt3 s ASP 215 Ca 0.10 -0.96 -0.11 0.00 -0.52 0.00 0.00 52.55 51.07 2qt3 s ASP 215 Cb -0.10 -0.35 -0.05 0.00 -1.46 0.00 0.00 42.92 40.97 2qt3 s ASP 215 CO -0.00 -0.39 0.24 -0.47 0.52 0.00 0.00 175.17 175.07 2qt3 s TYR 216 N 2.07 3.56 -0.42 -5.34 5.04 0.35 -4.14 117.35 118.47 2qt3 s TYR 216 Ca 0.05 0.61 -0.25 0.00 -2.44 0.00 0.00 57.07 55.05 2qt3 s TYR 216 Cb -0.16 -2.16 0.02 0.00 0.35 0.00 0.00 41.96 40.01 2qt3 s TYR 216 CO -0.21 0.51 0.87 -1.01 -1.34 0.00 0.00 175.55 174.37 2qt3 s HIS 217 N -0.41 3.00 -0.38 4.97 3.76 -0.66 0.11 115.29 125.70 2qt3 s HIS 217 Ca 0.16 0.45 0.02 0.00 -0.15 0.00 0.00 55.06 55.54 2qt3 s HIS 217 Cb -0.13 -3.73 0.11 0.00 1.11 0.00 0.00 32.58 29.94 2qt3 s HIS 217 CO 0.05 -0.95 0.14 0.42 -0.85 0.00 0.00 174.74 173.55 2qt3 s ILE 218 N 3.47 1.68 -0.12 0.60 1.01 -1.04 -1.79 121.20 125.01 2qt3 s ILE 218 Ca 0.35 -2.23 0.17 0.00 0.00 0.00 0.00 60.65 58.93 2qt3 s ILE 218 Cb -0.11 -2.22 -0.14 0.00 0.01 0.00 0.00 42.46 39.99 2qt3 s ILE 218 CO 0.22 -0.72 0.80 1.41 0.00 0.00 0.00 174.94 176.65 2qt3 n HIS 219 N 4.12 0.96 -1.62 3.97 8.25 -1.26 -2.76 115.22 126.88 2qt3 n HIS 219 Ca 0.03 0.32 -0.57 0.00 -0.26 0.00 0.00 57.72 57.24 2qt3 n HIS 219 Cb 0.39 -1.09 -0.07 0.00 1.12 0.00 0.00 29.99 30.34 2qt3 n HIS 219 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2qt3 n ASP 220 N -2.88 1.37 -4.85 0.41 8.00 -1.26 -4.63 116.55 112.71 2qt3 n ASP 220 Ca -0.10 1.13 -0.25 0.00 0.71 0.00 0.00 54.79 56.27 2qt3 n ASP 220 Cb 0.85 -1.08 0.08 0.00 -0.02 0.00 0.00 41.12 40.95 2qt3 n ASP 220 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2qt3 s ILE 221 N 1.39 2.29 0.00 0.53 -4.36 -1.26 -3.73 121.20 116.06 2qt3 s ILE 221 Ca 0.92 -0.33 0.00 0.00 -0.26 0.00 0.00 60.65 60.97 2qt3 s ILE 221 Cb -1.12 -2.95 0.00 0.00 1.25 0.00 0.00 42.46 39.63 2qt3 s ILE 221 CO 0.58 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.37 2qt3 n GLY 222 N -2.90 0.90 0.23 6.27 0.00 -1.26 -3.14 105.19 105.29 2qt3 n GLY 222 Ca 0.09 -0.72 0.06 0.00 0.00 0.00 0.00 46.02 45.45 2qt3 n GLY 222 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qt3 h THR 223 N 0.00 1.09 0.00 2.61 1.35 -1.91 -2.22 112.91 113.82 2qt3 h THR 223 Ca 0.00 -0.48 -0.08 0.00 -0.55 0.00 0.00 66.41 65.30 2qt3 h THR 223 Cb 0.00 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 2qt3 h THR 223 CO 0.00 0.14 -0.38 1.62 -0.25 0.00 0.00 175.52 176.64 2qt3 h VAL 224 N 0.00 1.23 -0.06 6.82 3.04 -1.91 0.56 116.25 125.94 2qt3 h VAL 224 Ca -0.00 -1.34 -0.10 0.00 -1.01 0.00 0.00 66.70 64.26 2qt3 h VAL 224 Cb 0.25 1.73 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 2qt3 h VAL 224 CO 0.02 0.38 -0.34 1.23 -1.01 0.00 0.00 177.57 177.85 2qt3 h GLY 225 N 1.23 0.36 1.19 3.17 0.00 -1.36 -2.11 103.07 105.55 2qt3 h GLY 225 Ca -0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 2qt3 h GLY 225 CO 0.05 0.47 0.27 -2.08 0.00 0.00 0.00 176.54 175.25 2qt3 h VAL 226 N -0.18 1.24 -0.21 4.60 2.07 -1.28 -1.14 116.25 121.34 2qt3 h VAL 226 Ca -0.03 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 2qt3 h VAL 226 Cb 1.01 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2qt3 h VAL 226 CO 0.07 0.31 0.12 0.22 0.02 0.00 0.00 177.57 178.31 2qt3 h TYR 227 N 1.01 0.29 -0.82 1.57 3.20 -0.91 0.22 116.97 121.53 2qt3 h TYR 227 Ca 0.23 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.14 2qt3 h TYR 227 Cb 0.21 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 2qt3 h TYR 227 CO 0.02 0.25 0.52 0.77 -1.64 0.00 0.00 178.16 178.08 2qt3 h SER 228 N 0.25 0.84 -0.17 -2.11 0.02 -0.92 -0.77 113.55 110.70 2qt3 h SER 228 Ca 0.08 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.90 2qt3 h SER 228 Cb 0.05 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2qt3 h SER 228 CO -0.01 0.57 -0.36 0.40 -1.14 0.00 0.00 176.83 176.29 2qt3 h ILE 229 N 0.99 1.29 -0.64 3.27 2.04 -0.87 -1.93 117.51 121.65 2qt3 h ILE 229 Ca 0.34 -1.51 -0.08 0.00 1.00 0.00 0.00 64.86 64.61 2qt3 h ILE 229 Cb 0.07 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 2qt3 h ILE 229 CO -0.13 0.49 0.09 0.78 0.00 0.00 0.00 178.15 179.37 2qt3 h ASN 230 N 0.57 1.03 -0.73 1.72 2.35 -0.38 0.46 115.58 120.60 2qt3 h ASN 230 Ca 0.06 -0.25 -0.07 0.00 -0.55 0.00 0.00 56.30 55.49 2qt3 h ASN 230 Cb 0.88 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.94 2qt3 h ASN 230 CO 0.08 1.03 0.19 0.03 -1.65 0.00 0.00 177.43 177.11 2qt3 h ARG 231 N 1.00 1.15 -0.49 0.81 2.47 -0.99 -0.92 114.38 117.42 2qt3 h ARG 231 Ca 0.19 -0.27 -0.04 0.00 -1.26 0.00 0.00 59.98 58.60 2qt3 h ARG 231 Cb 0.46 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.60 2qt3 h ARG 231 CO 0.02 1.00 0.13 1.25 0.56 0.00 0.00 179.97 182.93 2qt3 h LEU 232 N 1.10 0.73 -0.59 3.04 5.85 -0.87 -0.67 115.31 123.89 2qt3 h LEU 232 Ca 0.23 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2qt3 h LEU 232 Cb 0.36 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2qt3 h LEU 232 CO -0.00 0.76 0.08 0.00 -0.34 0.00 0.00 178.44 178.94 2qt3 h ALA 233 N 1.00 0.78 -0.50 1.25 0.00 -0.70 -0.61 119.26 120.47 2qt3 h ALA 233 Ca 0.15 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2qt3 h ALA 233 Cb 0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2qt3 h ALA 233 CO -0.00 0.55 0.07 0.37 0.00 0.00 0.00 179.25 180.24 2qt3 h GLN 234 N 0.88 0.84 0.00 0.00 5.75 -1.03 -2.15 115.11 119.40 2qt3 h GLN 234 Ca 0.18 -0.23 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 2qt3 h GLN 234 Cb 0.44 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.90 2qt3 h GLN 234 CO 0.01 0.84 -0.10 0.87 -2.65 0.00 0.00 178.83 177.81 2qt3 h LYS 235 N 0.72 0.00 -0.16 1.69 1.57 -0.97 -1.91 116.57 117.51 2qt3 h LYS 235 Ca 0.15 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2qt3 h LYS 235 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2qt3 h LYS 235 CO 0.01 0.10 -0.00 1.15 -0.57 0.00 0.00 179.45 180.14 2qt3 h THR 236 N 0.00 1.26 -0.18 -0.16 2.02 -0.47 -1.16 112.91 114.21 2qt3 h THR 236 Ca -0.00 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 2qt3 h THR 236 Cb 0.60 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 2qt3 h THR 236 CO 0.01 0.25 0.07 0.40 0.37 0.00 0.00 175.52 176.62 2qt3 h ILE 237 N 0.02 1.17 -0.80 3.11 2.04 -1.21 0.93 117.51 122.76 2qt3 h ILE 237 Ca 0.04 -0.52 0.11 0.00 1.00 0.00 0.00 64.86 65.49 2qt3 h ILE 237 Cb 0.38 1.18 -0.08 0.00 -0.74 0.00 0.00 36.82 37.56 2qt3 h ILE 237 CO 0.01 0.16 0.43 -0.33 0.00 0.00 0.00 178.15 178.43 2qt3 h GLU 238 N 0.13 0.69 -0.53 2.37 5.08 -1.26 -1.52 114.58 119.54 2qt3 h GLU 238 Ca 0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2qt3 h GLU 238 Cb 0.19 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2qt3 h GLU 238 CO -0.00 0.45 0.00 0.09 -1.00 0.00 0.00 179.01 178.55 2qt3 n ASN 239 N -4.80 2.14 -3.73 1.42 4.13 -0.45 -4.90 115.26 109.06 2qt3 n ASN 239 Ca 0.14 -2.16 -0.25 0.00 1.68 0.00 0.00 54.58 53.98 2qt3 n ASN 239 Cb 0.31 -0.36 0.05 0.00 -1.54 0.00 0.00 39.78 38.24 2qt3 n ASN 239 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qt3 n GLY 240 N 0.65 -0.45 0.81 7.41 0.00 -0.57 -4.91 105.19 108.13 2qt3 n GLY 240 Ca 0.10 0.19 0.03 0.00 0.00 0.00 0.00 46.02 46.34 2qt3 n GLY 240 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qt3 n TYR 241 N -4.62 0.67 -1.65 1.61 4.02 0.30 -5.04 117.16 112.45 2qt3 n TYR 241 Ca -0.08 -1.33 -0.49 0.00 -0.01 0.00 0.00 57.90 56.00 2qt3 n TYR 241 Cb 0.58 -0.35 -0.05 0.00 -0.02 0.00 0.00 39.34 39.50 2qt3 n TYR 241 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2qt3 n LYS 242 N -1.05 1.79 -0.95 -0.72 5.02 -1.25 -0.80 118.16 120.21 2qt3 n LYS 242 Ca 0.25 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 57.19 2qt3 n LYS 242 Cb 0.87 -2.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 2qt3 n LYS 242 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qt3 n GLY 243 N 3.31 0.80 0.90 0.72 0.00 -0.96 -4.85 105.19 105.11 2qt3 n GLY 243 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 2qt3 n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qt3 n ARG 244 N -2.08 2.95 -4.68 1.61 1.74 0.02 -4.96 116.66 111.26 2qt3 n ARG 244 Ca 0.00 -2.35 -0.24 0.00 -0.77 0.00 0.00 57.85 54.49 2qt3 n ARG 244 Cb 0.01 -1.46 -0.16 0.00 -1.02 0.00 0.00 32.46 29.83 2qt3 n ARG 244 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qt3 s VAL 245 N -1.31 1.20 -0.01 1.55 1.01 -1.26 -1.25 120.40 120.34 2qt3 s VAL 245 Ca 0.33 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.79 2qt3 s VAL 245 Cb 0.19 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 2qt3 s VAL 245 CO 0.19 0.36 -0.22 -0.89 0.00 0.00 0.00 175.10 174.54 2qt3 s THR 246 N 0.13 1.75 -0.22 3.92 2.01 0.35 -2.01 115.64 121.57 2qt3 s THR 246 Ca -0.04 -0.98 -0.04 0.00 0.31 0.00 0.00 61.69 60.94 2qt3 s THR 246 Cb -0.11 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 2qt3 s THR 246 CO 0.02 0.47 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.48 2qt3 s THR 247 N -0.55 3.32 0.05 -0.82 2.01 0.55 -0.49 115.64 119.70 2qt3 s THR 247 Ca 0.09 -0.53 -0.16 0.00 0.31 0.00 0.00 61.69 61.39 2qt3 s THR 247 Cb -0.09 -2.52 -0.06 0.00 0.01 0.00 0.00 72.50 69.85 2qt3 s THR 247 CO -0.01 0.41 0.47 -0.44 -0.69 0.00 0.00 174.62 174.37 2qt3 s SER 248 N 1.47 6.88 0.00 3.53 0.01 0.12 -2.27 113.70 123.43 2qt3 s SER 248 Ca 0.05 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.37 2qt3 s SER 248 Cb -0.14 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2qt3 s SER 248 CO -0.04 0.27 0.00 1.41 0.41 0.00 0.00 173.24 175.30 2qt3 n HIS 249 N 1.59 0.00 -3.98 2.43 8.25 0.70 -2.51 115.22 121.71 2qt3 n HIS 249 Ca -0.11 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.06 2qt3 n HIS 249 Cb 0.52 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.62 2qt3 n HIS 249 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qt3 n ALA 250 N 0.00 -1.63 0.12 -1.41 0.00 -1.11 -4.72 120.51 111.76 2qt3 n ALA 250 Ca 0.00 -0.07 0.16 0.00 0.00 0.00 0.00 53.44 53.53 2qt3 n ALA 250 Cb 0.00 -2.83 0.71 0.00 0.00 0.00 0.00 19.45 17.33 2qt3 n ALA 250 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2qt3 h TRP 251 N -1.81 0.00 -0.52 0.00 6.55 -1.83 -2.35 115.95 116.00 2qt3 h TRP 251 Ca -0.60 0.00 0.15 0.00 0.95 0.00 0.00 58.89 59.39 2qt3 h TRP 251 Cb 1.38 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.65 2qt3 h TRP 251 CO 0.54 0.00 0.45 0.00 -1.05 0.00 0.00 178.44 178.39 2qt3 h PHE 253 N 0.00 0.00 0.00 0.00 0.04 -1.74 -0.88 116.94 114.36 2qt3 h PHE 253 Ca 0.25 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.86 2qt3 h PHE 253 Cb 1.15 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.28 2qt3 h PHE 253 CO 0.00 0.00 -0.75 0.00 -0.60 0.00 0.00 178.31 176.96 2qt3 h ALA 254 N 2.01 0.53 0.00 2.45 0.00 -1.08 -3.39 119.26 119.77 2qt3 h ALA 254 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2qt3 h ALA 254 Cb 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2qt3 h ALA 254 CO 0.00 0.94 -0.48 -0.40 0.00 0.00 0.00 179.25 179.31 2qt3 n ASP 255 N -3.31 1.89 -4.79 0.00 5.75 -1.08 -4.73 116.55 110.28 2qt3 n ASP 255 Ca 0.01 -0.32 -0.34 0.00 -0.01 0.00 0.00 54.79 54.12 2qt3 n ASP 255 Cb 0.83 1.03 -0.01 0.00 -1.03 0.00 0.00 41.12 41.94 2qt3 n ASP 255 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qt3 s ALA 256 N -1.55 2.77 0.33 2.12 0.00 -0.36 -4.83 121.76 120.24 2qt3 s ALA 256 Ca 0.00 0.66 -0.28 0.00 0.00 0.00 0.00 51.96 52.34 2qt3 s ALA 256 Cb 0.01 -3.29 -0.13 0.00 0.00 0.00 0.00 23.12 19.71 2qt3 s ALA 256 CO 0.07 -0.60 1.17 -2.30 0.00 0.00 0.00 175.76 174.10 2qt3 n PRO 257 N -1.31 1.80 0.28 0.00 -0.02 -1.26 -4.82 135.00 129.67 2qt3 n PRO 257 Ca 0.10 0.63 0.16 0.00 -2.02 0.00 0.00 63.50 62.37 2qt3 n PRO 257 Cb 0.52 -2.14 0.91 0.00 -0.02 0.00 0.00 33.50 32.77 2qt3 n PRO 257 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2qt3 h SER 258 N 2.27 0.00 -0.19 2.55 4.64 -1.93 -0.51 113.55 120.39 2qt3 h SER 258 Ca -0.44 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.84 2qt3 h SER 258 Cb 1.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 2qt3 h SER 258 CO 0.61 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 176.25 2qt3 h GLU 259 N 0.00 0.45 -0.43 4.77 3.07 -1.99 -1.06 114.58 119.38 2qt3 h GLU 259 Ca 0.02 -0.09 -0.13 0.00 -0.50 0.00 0.00 59.36 58.66 2qt3 h GLU 259 Cb 0.12 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 2qt3 h GLU 259 CO -0.00 0.47 -0.25 -1.49 -1.40 0.00 0.00 179.01 176.34 2qt3 h TRP 260 N 0.43 1.05 -0.19 4.33 4.06 -1.43 -2.49 115.95 121.72 2qt3 h TRP 260 Ca 0.10 -0.26 -0.19 0.00 2.06 0.00 0.00 58.89 60.60 2qt3 h TRP 260 Cb 0.28 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 2qt3 h TRP 260 CO 0.01 1.06 -0.64 1.25 -3.56 0.00 0.00 178.44 176.56 2qt3 h LEU 261 N 0.78 0.78 -0.83 -4.49 5.85 -1.45 -2.91 115.31 113.03 2qt3 h LEU 261 Ca 0.10 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 2qt3 h LEU 261 Cb 0.81 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 2qt3 h LEU 261 CO 0.07 1.22 0.43 0.44 -0.34 0.00 0.00 178.44 180.26 2qt3 h ASP 262 N 0.50 1.07 1.47 1.25 3.32 -1.12 -1.54 116.42 121.37 2qt3 h ASP 262 Ca -0.01 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2qt3 h ASP 262 Cb 1.23 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.50 2qt3 h ASP 262 CO 0.13 0.88 -0.01 -1.84 -1.72 0.00 0.00 179.24 176.68 2qt3 n GLU 263 N -4.36 0.26 0.03 3.56 0.28 -0.95 -3.60 120.64 115.87 2qt3 n GLU 263 Ca 0.08 0.21 0.05 0.00 -0.16 0.00 0.00 57.16 57.34 2qt3 n GLU 263 Cb 0.12 -1.80 -0.08 0.00 1.43 0.00 0.00 31.44 31.10 2qt3 n GLU 263 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2qt3 n ALA 264 N -1.79 2.24 -0.24 -1.84 0.00 -0.97 -4.34 120.51 113.57 2qt3 n ALA 264 Ca 0.06 -0.52 0.03 0.00 0.00 0.00 0.00 53.44 53.01 2qt3 n ALA 264 Cb 0.43 -0.89 0.16 0.00 0.00 0.00 0.00 19.45 19.15 2qt3 n ALA 264 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qt3 h ILE 265 N 0.00 0.73 -0.59 0.00 2.04 -1.35 0.12 117.51 118.46 2qt3 h ILE 265 Ca -0.12 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.59 2qt3 h ILE 265 Cb 1.35 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 2qt3 h ILE 265 CO 0.02 0.09 0.39 -0.65 0.00 0.00 0.00 178.15 178.00 2qt3 h PRO 266 N 0.48 0.76 -0.15 2.37 0.11 -1.78 0.11 132.00 133.91 2qt3 h PRO 266 Ca 0.38 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.30 2qt3 h PRO 266 Cb 0.51 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 2qt3 h PRO 266 CO -0.35 0.50 -0.52 1.25 -0.21 0.00 0.00 178.00 178.67 2qt3 h LEU 267 N 0.79 0.45 -0.34 2.35 5.85 -1.29 -1.42 115.31 121.70 2qt3 h LEU 267 Ca 0.22 -0.23 -0.18 0.00 0.84 0.00 0.00 57.88 58.53 2qt3 h LEU 267 Cb -0.07 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 2qt3 h LEU 267 CO -0.05 0.89 -0.48 1.88 -0.34 0.00 0.00 178.44 180.34 2qt3 h TYR 268 N 0.32 1.12 -0.52 1.25 0.05 0.06 -1.90 116.97 117.35 2qt3 h TYR 268 Ca 0.01 -0.37 -0.12 0.00 0.05 0.00 0.00 58.73 58.30 2qt3 h TYR 268 Cb 1.02 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.53 2qt3 h TYR 268 CO 0.03 1.21 -0.15 0.87 -1.05 0.00 0.00 178.16 179.06 2qt3 h LYS 269 N 0.71 1.01 -0.09 4.88 1.57 -0.96 -0.25 116.57 123.46 2qt3 h LYS 269 Ca 0.03 -0.40 -0.09 0.00 -1.87 0.00 0.00 60.65 58.32 2qt3 h LYS 269 Cb 1.09 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2qt3 h LYS 269 CO 0.11 1.09 -0.35 0.22 -0.57 0.00 0.00 179.45 179.95 2qt3 h ASP 270 N 0.88 0.18 0.33 0.86 3.58 -1.21 -2.71 116.42 118.32 2qt3 h ASP 270 Ca 0.13 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2qt3 h ASP 270 Cb 0.73 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.73 2qt3 h ASP 270 CO 0.06 0.52 -0.49 -1.54 -2.88 0.00 0.00 179.24 174.91 2qt3 n SER 271 N -4.09 0.81 -1.55 2.28 3.41 -0.72 -4.95 113.62 108.82 2qt3 n SER 271 Ca -0.01 -0.61 -0.14 0.00 -0.26 0.00 0.00 58.87 57.85 2qt3 n SER 271 Cb 0.42 0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 64.68 2qt3 n SER 271 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qt3 n GLY 272 N 1.45 -0.06 3.74 5.00 0.00 -0.22 -2.25 105.19 112.84 2qt3 n GLY 272 Ca 0.08 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2qt3 n GLY 272 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2qt3 n MET 273 N -2.37 2.55 -4.35 1.61 0.00 -0.50 -3.73 117.12 110.34 2qt3 n MET 273 Ca -0.16 0.90 -0.30 0.00 0.00 0.00 0.00 57.70 58.13 2qt3 n MET 273 Cb 0.61 -2.63 -0.10 0.00 0.00 0.00 0.00 33.22 31.10 2qt3 n MET 273 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2qt3 s LYS 274 N -1.15 2.18 0.16 2.12 1.02 -0.85 -4.42 119.74 118.80 2qt3 s LYS 274 Ca 0.60 -0.97 0.06 0.00 0.02 0.00 0.00 55.97 55.68 2qt3 s LYS 274 Cb -0.52 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 2qt3 s LYS 274 CO 0.55 0.53 -0.13 -0.06 -0.92 0.00 0.00 175.35 175.32 2qt3 s PHE 275 N -1.12 1.49 -0.02 3.18 0.08 -0.19 -0.33 117.98 121.06 2qt3 s PHE 275 Ca 0.19 -0.63 -0.00 0.00 0.12 0.00 0.00 56.93 56.61 2qt3 s PHE 275 Cb -0.11 -0.73 0.03 0.00 -0.57 0.00 0.00 43.02 41.64 2qt3 s PHE 275 CO 0.11 0.21 0.03 0.08 -0.10 0.00 0.00 175.22 175.55 2qt3 s VAL 276 N -2.84 -0.03 -0.10 -0.44 1.01 -0.96 -0.57 120.40 116.46 2qt3 s VAL 276 Ca 0.17 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.39 2qt3 s VAL 276 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 2qt3 s VAL 276 CO 0.04 0.11 -0.14 0.28 0.00 0.00 0.00 175.10 175.39 2qt3 s THR 277 N 1.25 3.05 -0.17 3.92 -1.32 -0.57 -0.22 115.64 121.58 2qt3 s THR 277 Ca -0.07 -0.69 -0.14 0.00 -1.21 0.00 0.00 61.69 59.59 2qt3 s THR 277 Cb -0.13 -2.25 -0.05 0.00 -1.51 0.00 0.00 72.50 68.57 2qt3 s THR 277 CO -0.03 0.55 0.30 0.00 -2.21 0.00 0.00 174.62 173.23 2qt3 n PHE 279 N 3.80 0.00 1.34 0.00 1.16 -0.08 -0.50 117.46 123.18 2qt3 n PHE 279 Ca -0.11 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.59 2qt3 n PHE 279 Cb 0.52 -0.27 0.44 0.00 -1.61 0.00 0.00 39.48 38.56 2qt3 n PHE 279 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2qt3 n SER 280 N -1.27 1.67 0.00 5.98 3.41 -1.26 -4.41 113.62 117.74 2qt3 n SER 280 Ca 0.05 -1.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 2qt3 n SER 280 Cb 0.08 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 2qt3 n SER 280 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2qt3 n SER 281 N 0.31 0.00 -4.67 4.04 3.41 -0.16 -5.10 113.62 111.45 2qt3 n SER 281 Ca 0.18 -0.89 -0.53 0.00 -0.26 0.00 0.00 58.87 57.37 2qt3 n SER 281 Cb 0.36 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.25 2qt3 n SER 281 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2qt3 n THR 282 N 0.00 0.40 -2.01 6.66 -1.04 0.35 -4.87 114.28 113.77 2qt3 n THR 282 Ca 0.00 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.05 61.51 2qt3 n THR 282 Cb 0.22 -1.52 -0.02 0.00 -1.82 0.00 0.00 70.33 67.20 2qt3 n THR 282 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2qt3 s PRO 283 N 4.05 4.27 0.42 -2.82 0.02 -1.26 -4.90 135.00 134.78 2qt3 s PRO 283 Ca 0.98 2.33 0.17 0.00 0.02 0.00 0.00 61.00 64.49 2qt3 s PRO 283 Cb -0.91 -3.05 1.07 0.00 0.02 0.00 0.00 34.50 31.64 2qt3 s PRO 283 CO 0.59 -0.32 1.89 -1.35 -0.33 0.00 0.00 177.00 177.48 2qt3 h PRO 284 N 3.49 0.39 -0.43 5.54 0.11 -1.90 0.78 132.00 139.99 2qt3 h PRO 284 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2qt3 h PRO 284 Cb 1.23 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2qt3 h PRO 284 CO 0.67 0.26 0.00 0.25 -0.21 0.00 0.00 178.00 178.97 2qt3 n THR 285 N -4.49 0.57 -1.92 -1.15 -2.24 -1.26 -4.58 114.28 99.21 2qt3 n THR 285 Ca 0.17 -0.57 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 2qt3 n THR 285 Cb 0.61 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 2qt3 n THR 285 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2qt3 s MET 286 N -1.43 4.21 -0.83 -0.78 0.00 0.27 -4.55 119.30 116.19 2qt3 s MET 286 Ca 0.29 2.38 -0.07 0.00 0.00 0.00 0.00 55.69 58.28 2qt3 s MET 286 Cb 0.15 -3.14 -0.14 0.00 0.00 0.00 0.00 34.83 31.70 2qt3 s MET 286 CO 0.19 -0.60 2.85 -0.35 0.00 0.00 0.00 175.02 177.12 2qt3 n PRO 287 N 3.78 2.56 0.33 4.11 -0.04 -1.26 -4.71 135.00 139.77 2qt3 n PRO 287 Ca 0.13 -1.50 -0.17 0.00 -0.04 0.00 0.00 63.50 61.92 2qt3 n PRO 287 Cb 0.38 -2.38 -0.09 0.00 -0.04 0.00 0.00 33.50 31.38 2qt3 n PRO 287 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2qt3 h VAL 288 N 2.76 0.33 -0.88 0.52 2.07 -1.95 -0.73 116.25 118.38 2qt3 h VAL 288 Ca 0.51 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.02 2qt3 h VAL 288 Cb 0.65 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2qt3 h VAL 288 CO 1.11 0.00 0.50 0.40 0.02 0.00 0.00 177.57 179.61 2qt3 h ILE 289 N -0.85 1.25 -0.50 4.57 1.08 -2.00 -1.55 117.51 119.51 2qt3 h ILE 289 Ca -0.07 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 63.82 2qt3 h ILE 289 Cb 0.68 0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 2qt3 h ILE 289 CO 0.10 0.27 0.33 0.50 -0.69 0.00 0.00 178.15 178.66 2qt3 h LYS 290 N 1.22 0.66 -0.46 2.37 3.64 -1.90 0.48 116.57 122.58 2qt3 h LYS 290 Ca 0.31 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.60 2qt3 h LYS 290 Cb -0.01 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 2qt3 h LYS 290 CO -0.05 0.45 0.09 -0.07 -2.27 0.00 0.00 179.45 177.59 2qt3 h LEU 291 N 0.68 0.72 -0.53 5.20 3.38 -0.68 -1.45 115.31 122.62 2qt3 h LEU 291 Ca 0.18 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2qt3 h LEU 291 Cb -0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2qt3 h LEU 291 CO -0.04 0.78 0.12 -0.07 0.09 0.00 0.00 178.44 179.32 2qt3 h LEU 292 N 0.63 0.81 -1.44 1.67 3.38 -1.02 -1.24 115.31 118.11 2qt3 h LEU 292 Ca 0.14 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2qt3 h LEU 292 Cb 0.36 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2qt3 h LEU 292 CO 0.01 0.84 -0.25 -0.33 0.09 0.00 0.00 178.44 178.80 2qt3 h GLU 293 N 0.74 0.04 0.00 1.13 4.39 -0.80 -1.81 114.58 118.28 2qt3 h GLU 293 Ca 0.16 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2qt3 h GLU 293 Cb 0.36 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2qt3 h GLU 293 CO 0.00 0.30 0.00 0.00 -1.16 0.00 0.00 179.01 178.15 2qt3 n ALA 294 N -2.49 2.33 -0.61 3.43 0.00 -0.56 -4.89 120.51 117.72 2qt3 n ALA 294 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2qt3 n ALA 294 Cb 0.32 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.33 2qt3 n ALA 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qt3 n GLY 295 N 0.98 0.67 3.75 0.00 0.00 -0.68 -5.05 105.19 104.86 2qt3 n GLY 295 Ca 0.13 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 2qt3 n GLY 295 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qt3 s ILE 296 N -2.00 4.18 -0.49 -0.61 -1.09 -0.51 -4.99 121.20 115.70 2qt3 s ILE 296 Ca 0.00 2.07 -0.29 0.00 -2.23 0.00 0.00 60.65 60.20 2qt3 s ILE 296 Cb 0.00 -4.32 0.03 0.00 -1.58 0.00 0.00 42.46 36.59 2qt3 s ILE 296 CO 0.00 0.46 1.13 0.21 -1.23 0.00 0.00 174.94 175.51 2qt3 s ASN 297 N -0.91 6.60 -0.19 3.58 2.47 -1.26 -4.42 114.94 120.81 2qt3 s ASN 297 Ca 0.42 0.40 -0.00 0.00 0.42 0.00 0.00 52.86 54.10 2qt3 s ASN 297 Cb -0.25 -2.54 0.05 0.00 -1.45 0.00 0.00 41.25 37.05 2qt3 s ASN 297 CO 0.31 -1.27 -0.06 -0.22 -3.72 0.00 0.00 177.10 172.15 2qt3 s LEU 298 N 4.47 1.94 0.00 3.21 2.96 -1.26 -1.02 118.68 128.98 2qt3 s LEU 298 Ca 0.47 -0.83 0.03 0.00 -0.22 0.00 0.00 54.13 53.57 2qt3 s LEU 298 Cb -0.07 -1.02 0.09 0.00 0.50 0.00 0.00 46.19 45.69 2qt3 s LEU 298 CO 0.31 -0.19 0.66 0.61 -1.32 0.00 0.00 176.35 176.41 2qt3 n GLY 299 N 4.80 1.25 3.17 7.98 0.00 0.26 -4.70 105.19 117.95 2qt3 n GLY 299 Ca -0.12 -2.09 -0.11 0.00 0.00 0.00 0.00 46.02 43.69 2qt3 n GLY 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qt3 s ALA 301 N -3.58 -1.50 0.08 0.00 0.00 -0.97 -1.95 121.76 113.84 2qt3 s ALA 301 Ca 0.12 0.15 -0.03 0.00 0.00 0.00 0.00 51.96 52.20 2qt3 s ALA 301 Cb 0.05 0.75 -0.28 0.00 0.00 0.00 0.00 23.12 23.64 2qt3 s ALA 301 CO -0.04 -0.94 1.15 0.77 0.00 0.00 0.00 175.76 176.70 2qt3 h SER 302 N 2.00 0.38 0.00 0.00 0.02 -1.91 -0.19 113.55 113.85 2qt3 h SER 302 Ca -0.24 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 2qt3 h SER 302 Cb 1.26 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2qt3 h SER 302 CO 0.28 1.32 0.00 -0.67 -1.14 0.00 0.00 176.83 176.62 2qt3 n ASP 303 N -3.51 -0.63 -4.57 3.07 2.03 0.31 -4.35 116.55 108.90 2qt3 n ASP 303 Ca -0.08 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.84 2qt3 n ASP 303 Cb 1.02 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 41.45 2qt3 n ASP 303 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2qt3 n ASN 304 N -2.41 0.38 -3.83 1.67 3.02 -1.26 -4.34 115.26 108.48 2qt3 n ASN 304 Ca 0.00 0.88 -0.27 0.00 -0.03 0.00 0.00 54.58 55.15 2qt3 n ASN 304 Cb 0.00 -1.30 -0.17 0.00 -0.61 0.00 0.00 39.78 37.70 2qt3 n ASN 304 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qt3 s ILE 305 N -1.48 0.83 -1.17 2.41 1.01 -1.26 -4.79 121.20 116.76 2qt3 s ILE 305 Ca 0.69 -0.51 -0.27 0.00 0.00 0.00 0.00 60.65 60.56 2qt3 s ILE 305 Cb -0.49 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 40.89 2qt3 s ILE 305 CO 0.53 0.04 0.75 0.54 0.00 0.00 0.00 174.94 176.81 2qt3 n ARG 306 N 4.96 -0.81 0.00 2.79 1.74 -0.31 -1.27 116.66 123.75 2qt3 n ARG 306 Ca -0.10 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 2qt3 n ARG 306 Cb 0.48 -3.46 0.00 0.00 -1.02 0.00 0.00 32.46 28.45 2qt3 n ARG 306 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2qt3 n ASP 307 N -2.46 0.28 -0.09 0.55 5.68 -0.08 -1.44 116.55 119.00 2qt3 n ASP 307 Ca -0.10 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.30 2qt3 n ASP 307 Cb 0.58 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.17 2qt3 n ASP 307 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 2qt3 n PHE 308 N 0.00 0.03 -0.06 2.11 1.16 -1.26 -3.60 117.46 115.83 2qt3 n PHE 308 Ca 0.00 -0.01 -0.08 0.00 -1.87 0.00 0.00 57.45 55.49 2qt3 n PHE 308 Cb 0.00 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 37.80 2qt3 n PHE 308 CO 0.00 0.00 0.00 0.91 -1.87 0.00 0.00 176.76 175.80 2qt3 n TRP 309 N -0.64 0.00 -3.66 2.97 7.02 -1.26 -4.75 117.44 117.12 2qt3 n TRP 309 Ca 0.17 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.46 2qt3 n TRP 309 Cb 0.12 -0.51 -0.16 0.00 -2.42 0.00 0.00 31.31 28.34 2qt3 n TRP 309 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 2qt3 s VAL 310 N -2.26 -0.21 -0.20 -0.99 1.01 -1.24 -5.03 120.40 111.48 2qt3 s VAL 310 Ca -0.14 0.32 0.22 0.00 0.00 0.00 0.00 61.98 62.38 2qt3 s VAL 310 Cb 0.04 -0.29 0.25 0.00 0.00 0.00 0.00 36.38 36.38 2qt3 s VAL 310 CO 0.34 0.11 1.65 1.55 0.00 0.00 0.00 175.10 178.75 2qt3 h PRO 311 N 8.39 0.00 -7.61 2.72 0.13 -1.92 0.01 132.00 133.71 2qt3 h PRO 311 Ca -0.13 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.54 2qt3 h PRO 311 Cb 1.12 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.39 2qt3 h PRO 311 CO 0.16 0.17 0.35 -0.06 -0.23 0.00 0.00 178.00 178.39 2qt3 s PHE 312 N -3.27 2.21 0.00 1.56 0.08 -1.26 -3.88 117.98 113.42 2qt3 s PHE 312 Ca 0.04 0.64 0.00 0.00 0.12 0.00 0.00 56.93 57.74 2qt3 s PHE 312 Cb 0.07 -3.63 0.00 0.00 -0.57 0.00 0.00 43.02 38.89 2qt3 s PHE 312 CO 0.67 -2.41 0.00 0.41 -0.10 0.00 0.00 175.22 173.79 2qt3 n GLY 313 N -2.85 3.78 0.00 4.36 0.00 -1.26 -1.17 105.19 108.05 2qt3 n GLY 313 Ca 0.10 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2qt3 n GLY 313 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qt3 n ASN 314 N 0.00 0.30 -2.12 1.61 4.13 -1.26 -4.77 115.26 113.14 2qt3 n ASN 314 Ca 0.00 -0.99 -0.21 0.00 1.68 0.00 0.00 54.58 55.06 2qt3 n ASN 314 Cb 0.00 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.21 2qt3 n ASN 314 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qt3 n GLY 315 N 0.00 0.36 3.31 7.41 0.00 -1.26 -4.66 105.19 110.34 2qt3 n GLY 315 Ca 0.00 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2qt3 n GLY 315 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qt3 s ASP 316 N -2.30 5.84 0.55 1.61 -1.08 -1.26 -4.38 116.67 115.65 2qt3 s ASP 316 Ca 0.00 -1.49 0.32 0.00 -0.52 0.00 0.00 52.55 50.86 2qt3 s ASP 316 Cb 0.00 -2.07 1.59 0.00 -1.46 0.00 0.00 42.92 40.99 2qt3 s ASP 316 CO 0.00 -0.60 2.09 0.24 0.52 0.00 0.00 175.17 177.42 2qt3 h MET 317 N 8.55 0.00 0.00 4.34 2.86 -1.93 -0.58 114.93 128.18 2qt3 h MET 317 Ca -0.25 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.20 2qt3 h MET 317 Cb 1.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 2qt3 h MET 317 CO 0.82 0.07 -0.86 0.28 1.06 0.00 0.00 176.91 178.28 2qt3 h VAL 318 N 0.00 1.51 -0.23 -2.22 2.07 -1.93 -0.89 116.25 114.56 2qt3 h VAL 318 Ca -0.00 -2.63 -0.19 0.00 0.82 0.00 0.00 66.70 64.70 2qt3 h VAL 318 Cb 0.34 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2qt3 h VAL 318 CO 0.01 0.76 -0.61 -0.61 0.02 0.00 0.00 177.57 177.14 2qt3 h GLN 319 N 0.09 0.83 -0.70 1.57 4.15 -1.75 -2.83 115.11 116.47 2qt3 h GLN 319 Ca -0.04 -0.58 0.01 0.00 0.77 0.00 0.00 58.65 58.81 2qt3 h GLN 319 Cb 1.48 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 29.23 2qt3 h GLN 319 CO 0.13 1.20 0.46 0.78 -1.93 0.00 0.00 178.83 179.47 2qt3 h GLY 320 N 0.59 0.98 0.98 2.39 0.00 -0.92 -0.94 103.07 106.15 2qt3 h GLY 320 Ca -0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 2qt3 h GLY 320 CO 0.13 0.36 0.22 0.00 0.00 0.00 0.00 176.54 177.25 2qt3 h ALA 321 N 1.56 0.70 -0.65 3.60 0.00 -1.01 -0.02 119.26 123.45 2qt3 h ALA 321 Ca 0.26 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2qt3 h ALA 321 Cb -0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2qt3 h ALA 321 CO -0.06 0.31 0.26 1.25 0.00 0.00 0.00 179.25 181.02 2qt3 h LEU 322 N 0.74 0.89 -1.03 0.00 5.85 -1.15 -1.98 115.31 118.61 2qt3 h LEU 322 Ca 0.18 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2qt3 h LEU 322 Cb 0.19 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2qt3 h LEU 322 CO -0.02 0.81 0.48 0.40 -0.34 0.00 0.00 178.44 179.77 2qt3 h ILE 323 N 0.91 1.24 -0.54 4.05 2.04 -0.68 -2.34 117.51 122.18 2qt3 h ILE 323 Ca 0.22 -0.56 -0.09 0.00 1.00 0.00 0.00 64.86 65.43 2qt3 h ILE 323 Cb 0.20 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 2qt3 h ILE 323 CO -0.02 0.26 -0.01 -0.33 0.00 0.00 0.00 178.15 178.05 2qt3 h GLU 324 N 1.16 0.94 -0.03 2.37 4.39 -0.54 -0.91 114.58 121.95 2qt3 h GLU 324 Ca 0.30 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 2qt3 h GLU 324 Cb -0.00 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2qt3 h GLU 324 CO -0.05 0.93 -0.23 1.79 -1.16 0.00 0.00 179.01 180.30 2qt3 h THR 325 N 0.86 1.18 0.23 1.13 1.35 -0.86 0.27 112.91 117.07 2qt3 h THR 325 Ca 0.16 -0.85 -0.31 0.00 -0.55 0.00 0.00 66.41 64.86 2qt3 h THR 325 Cb 0.52 1.41 0.04 0.00 -1.73 0.00 0.00 68.15 68.39 2qt3 h THR 325 CO 0.03 0.25 -1.37 1.56 -0.25 0.00 0.00 175.52 175.73 2qt3 h GLN 326 N 0.05 0.50 -0.51 4.72 1.08 -1.13 0.32 115.11 120.14 2qt3 h GLN 326 Ca 0.01 -0.85 -0.11 0.00 -1.45 0.00 0.00 58.65 56.25 2qt3 h GLN 326 Cb 0.43 0.32 -0.02 0.00 -0.05 0.00 0.00 27.48 28.16 2qt3 h GLN 326 CO 0.03 1.41 -0.11 0.00 -0.95 0.00 0.00 178.83 179.20 2qt3 h ARG 327 N 0.05 0.96 -0.01 1.46 3.08 -0.99 -3.04 114.38 115.89 2qt3 h ARG 327 Ca -0.24 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.46 2qt3 h ARG 327 Cb 2.07 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 32.06 2qt3 h ARG 327 CO 0.25 1.02 -0.39 1.28 -1.07 0.00 0.00 179.97 181.06 2qt3 n LEU 328 N -4.14 1.12 -3.44 3.04 4.77 0.07 -4.31 117.00 114.12 2qt3 n LEU 328 Ca 0.01 -0.33 -0.20 0.00 -0.03 0.00 0.00 56.01 55.47 2qt3 n LEU 328 Cb 0.40 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.44 2qt3 n LEU 328 CO 0.45 0.22 0.00 1.21 -1.33 0.00 0.00 177.39 177.94 2qt3 n GLU 329 N -0.73 -2.91 -4.04 3.23 4.07 0.50 -5.01 120.64 115.74 2qt3 n GLU 329 Ca 0.10 0.74 -0.30 0.00 -0.06 0.00 0.00 57.16 57.64 2qt3 n GLU 329 Cb 0.37 -5.35 -0.06 0.00 -0.06 0.00 0.00 31.44 26.34 2qt3 n GLU 329 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2qt3 s LEU 330 N -5.94 3.89 0.00 4.31 1.43 0.84 -5.02 118.68 118.19 2qt3 s LEU 330 Ca 0.34 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 2qt3 s LEU 330 Cb -0.07 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.61 2qt3 s LEU 330 CO 0.78 0.15 0.00 0.29 0.23 0.00 0.00 176.35 177.80 2qt3 n LYS 331 N 0.25 0.00 -1.22 1.70 5.02 -1.26 -4.79 118.16 117.86 2qt3 n LYS 331 Ca -0.08 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.87 2qt3 n LYS 331 Cb 0.52 -0.46 0.12 0.00 -0.02 0.00 0.00 35.03 35.19 2qt3 n LYS 331 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2qt3 s THR 332 N -1.00 2.03 0.39 -0.18 -4.23 -1.26 -4.80 115.64 106.59 2qt3 s THR 332 Ca 0.00 0.01 0.08 0.00 -1.18 0.00 0.00 61.69 60.60 2qt3 s THR 332 Cb 0.00 -2.52 0.20 0.00 1.34 0.00 0.00 72.50 71.51 2qt3 s THR 332 CO 0.00 -0.01 1.96 0.78 -0.54 0.00 0.00 174.62 176.81 2qt3 h ASN 333 N -0.66 0.34 -0.03 3.99 -0.26 -2.00 -1.51 115.58 115.46 2qt3 h ASN 333 Ca -0.47 -0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.22 2qt3 h ASN 333 Cb 1.30 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 38.47 2qt3 h ASN 333 CO 0.47 0.39 -0.00 -0.09 -1.06 0.00 0.00 177.43 177.14 2qt3 h ARG 334 N 0.37 0.06 -0.58 0.81 2.43 -1.98 -0.08 114.38 115.41 2qt3 h ARG 334 Ca 0.09 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2qt3 h ARG 334 Cb 0.22 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 2qt3 h ARG 334 CO 0.00 0.38 0.36 -0.44 -1.51 0.00 0.00 179.97 178.76 2qt3 h ASP 335 N -0.26 0.68 0.14 -3.80 3.32 -1.85 0.62 116.42 115.28 2qt3 h ASP 335 Ca 0.01 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 2qt3 h ASP 335 Cb 0.35 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2qt3 h ASP 335 CO 0.00 0.53 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.74 2qt3 h LEU 336 N 0.78 0.17 -0.73 1.55 4.07 -1.28 -1.34 115.31 118.54 2qt3 h LEU 336 Ca 0.21 -0.04 -0.08 0.00 0.08 0.00 0.00 57.88 58.04 2qt3 h LEU 336 Cb -0.04 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 2qt3 h LEU 336 CO -0.04 0.41 0.04 1.23 -1.08 0.00 0.00 178.44 179.00 2qt3 h GLY 337 N 0.89 1.09 1.25 0.83 0.00 0.08 -1.18 103.07 106.03 2qt3 h GLY 337 Ca 0.03 -0.75 -0.12 0.00 0.00 0.00 0.00 47.33 46.49 2qt3 h GLY 337 CO 0.04 0.69 -0.20 1.41 0.00 0.00 0.00 176.54 178.48 2qt3 h LEU 338 N 0.94 0.87 -1.21 3.11 3.38 -0.12 -1.97 115.31 120.31 2qt3 h LEU 338 Ca 0.18 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2qt3 h LEU 338 Cb 0.49 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2qt3 h LEU 338 CO 0.02 1.05 -0.14 0.40 0.09 0.00 0.00 178.44 179.86 2qt3 h ILE 339 N 0.75 1.21 -0.40 1.22 1.08 -0.96 -0.97 117.51 119.44 2qt3 h ILE 339 Ca 0.11 -0.95 -0.12 0.00 -0.39 0.00 0.00 64.86 63.50 2qt3 h ILE 339 Cb 0.73 1.20 -0.01 0.00 -3.07 0.00 0.00 36.82 35.67 2qt3 h ILE 339 CO 0.06 0.30 -0.24 -0.25 -0.69 0.00 0.00 178.15 177.33 2qt3 h TRP 340 N 0.35 0.93 -0.78 1.37 2.91 -0.84 -2.43 115.95 117.45 2qt3 h TRP 340 Ca 0.07 -0.22 -0.03 0.00 1.13 0.00 0.00 58.89 59.83 2qt3 h TRP 340 Cb 0.46 -0.22 -0.04 0.00 -0.51 0.00 0.00 29.16 28.86 2qt3 h TRP 340 CO 0.01 0.97 0.35 0.87 -1.03 0.00 0.00 178.44 179.61 2qt3 h LYS 341 N 0.70 1.14 -0.85 2.65 1.79 -0.62 -2.55 116.57 118.83 2qt3 h LYS 341 Ca 0.09 -0.18 0.07 0.00 -2.18 0.00 0.00 60.65 58.45 2qt3 h LYS 341 Cb 0.76 -0.20 -0.07 0.00 -1.58 0.00 0.00 32.23 31.15 2qt3 h LYS 341 CO 0.06 0.90 0.52 1.98 -1.08 0.00 0.00 179.45 181.83 2qt3 h MET 342 N 1.12 0.89 -0.10 3.15 4.05 -0.75 -0.30 114.93 122.99 2qt3 h MET 342 Ca 0.27 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.63 2qt3 h MET 342 Cb 0.15 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 2qt3 h MET 342 CO -0.03 0.59 0.00 0.44 0.23 0.00 0.00 176.91 178.14 2qt3 n ILE 343 N -4.65 0.13 0.00 1.77 -5.35 -0.96 -3.16 119.36 107.14 2qt3 n ILE 343 Ca 0.13 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 2qt3 n ILE 343 Cb 0.21 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 2qt3 n ILE 343 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2qt3 n THR 344 N -0.13 0.00 -0.31 7.28 -2.24 -0.26 -1.83 114.28 116.79 2qt3 n THR 344 Ca 0.15 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.95 2qt3 n THR 344 Cb 0.22 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 68.66 2qt3 n THR 344 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2qt3 h SER 345 N 0.00 0.96 -0.84 3.42 4.64 -1.73 -1.51 113.55 118.49 2qt3 h SER 345 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qt3 h SER 345 Cb 0.00 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 61.84 2qt3 h SER 345 CO 0.00 0.64 0.53 -0.33 -0.87 0.00 0.00 176.83 176.80 2qt3 h GLU 346 N 1.10 1.12 -0.48 4.77 4.39 -1.40 -0.88 114.58 123.19 2qt3 h GLU 346 Ca 0.37 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.92 2qt3 h GLU 346 Cb 0.09 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 2qt3 h GLU 346 CO -0.13 0.76 0.00 0.78 -1.16 0.00 0.00 179.01 179.27 2qt3 h GLY 347 N 1.14 0.86 1.00 -3.84 0.00 -1.33 -1.56 103.07 99.34 2qt3 h GLY 347 Ca 0.30 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2qt3 h GLY 347 CO -0.06 0.53 0.34 0.00 0.00 0.00 0.00 176.54 177.35 2qt3 h ALA 348 N 1.26 0.83 -0.63 3.60 0.00 -0.50 -1.24 119.26 122.58 2qt3 h ALA 348 Ca 0.15 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2qt3 h ALA 348 Cb 0.45 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2qt3 h ALA 348 CO 0.02 0.36 0.04 0.00 0.00 0.00 0.00 179.25 179.67 2qt3 h ARG 349 N 0.89 1.08 -0.86 0.00 3.08 -0.79 0.61 114.38 118.38 2qt3 h ARG 349 Ca 0.23 -0.32 0.04 0.00 0.07 0.00 0.00 59.98 59.99 2qt3 h ARG 349 Cb 0.06 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 2qt3 h ARG 349 CO -0.03 1.03 0.56 0.28 -1.07 0.00 0.00 179.97 180.73 2qt3 h VAL 350 N 0.99 1.13 0.00 2.04 2.07 -0.86 -0.48 116.25 121.14 2qt3 h VAL 350 Ca 0.18 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2qt3 h VAL 350 Cb 0.52 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2qt3 h VAL 350 CO 0.02 0.20 0.00 0.18 0.02 0.00 0.00 177.57 177.99 2qt3 n LEU 351 N -4.55 0.00 -0.56 2.57 4.32 -0.51 -4.92 117.00 113.35 2qt3 n LEU 351 Ca 0.11 0.44 -0.06 0.00 -0.02 0.00 0.00 56.01 56.49 2qt3 n LEU 351 Cb 0.10 -0.44 -0.01 0.00 -1.62 0.00 0.00 43.42 41.44 2qt3 n LEU 351 CO 0.34 -0.02 -0.07 0.61 -1.22 0.00 0.00 177.39 177.03 2qt3 n GLY 352 N 1.32 0.43 0.51 -0.72 0.00 0.06 -4.95 105.19 101.85 2qt3 n GLY 352 Ca 0.09 -0.71 0.09 0.00 0.00 0.00 0.00 46.02 45.48 2qt3 n GLY 352 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2qt3 n ILE 353 N -3.49 2.01 -0.02 -0.61 -5.35 -0.37 -4.78 119.36 106.75 2qt3 n ILE 353 Ca -0.06 -1.96 0.14 0.00 -0.27 0.00 0.00 62.75 60.60 2qt3 n ILE 353 Cb 0.39 -0.18 0.58 0.00 -1.74 0.00 0.00 39.64 38.69 2qt3 n ILE 353 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 2qt3 h GLU 354 N 1.00 0.22 -0.49 6.28 9.09 -1.89 -2.27 114.58 126.51 2qt3 h GLU 354 Ca 0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 59.36 59.40 2qt3 h GLU 354 Cb 1.19 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 28.21 2qt3 h GLU 354 CO 0.11 0.14 0.30 0.87 0.05 0.00 0.00 179.01 180.49 2qt3 h LYS 355 N 0.22 0.65 -0.28 1.06 1.57 -1.94 -2.58 116.57 115.28 2qt3 h LYS 355 Ca 0.24 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2qt3 h LYS 355 Cb 0.66 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2qt3 h LYS 355 CO -0.04 0.45 0.00 0.09 -0.57 0.00 0.00 179.45 179.38 2qt3 n ASN 356 N -4.44 3.00 -4.74 0.86 3.02 -0.90 -4.93 115.26 107.12 2qt3 n ASN 356 Ca 0.04 -1.87 -0.35 0.00 -0.03 0.00 0.00 54.58 52.36 2qt3 n ASN 356 Cb 0.07 -0.18 -0.08 0.00 -0.61 0.00 0.00 39.78 38.98 2qt3 n ASN 356 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2qt3 s TYR 357 N -1.29 3.35 0.00 3.10 5.04 -0.93 -3.03 117.35 123.60 2qt3 s TYR 357 Ca 0.29 0.28 0.00 0.00 -2.44 0.00 0.00 57.07 55.20 2qt3 s TYR 357 Cb 0.17 -1.95 0.00 0.00 0.35 0.00 0.00 41.96 40.54 2qt3 s TYR 357 CO 0.24 0.45 0.00 0.41 -1.34 0.00 0.00 175.55 175.32 2qt3 n GLY 358 N 2.59 3.79 3.52 8.97 0.00 -1.26 -4.91 105.19 117.90 2qt3 n GLY 358 Ca -0.18 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 2qt3 n GLY 358 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qt3 s ILE 359 N -2.21 4.47 0.01 -0.61 -1.09 -1.26 -4.71 121.20 115.80 2qt3 s ILE 359 Ca 0.00 -1.91 -0.16 0.00 -2.23 0.00 0.00 60.65 56.35 2qt3 s ILE 359 Cb 0.00 -5.02 0.03 0.00 -1.58 0.00 0.00 42.46 35.88 2qt3 s ILE 359 CO 0.00 -1.81 0.35 -0.70 -1.23 0.00 0.00 174.94 171.55 2qt3 s GLU 360 N 3.27 0.78 0.14 2.79 2.56 -1.26 -5.09 118.70 121.89 2qt3 s GLU 360 Ca 0.46 -0.30 -0.35 0.00 0.00 0.00 0.00 54.97 54.78 2qt3 s GLU 360 Cb -0.00 0.34 -0.15 0.00 2.00 0.00 0.00 34.13 36.33 2qt3 s GLU 360 CO -0.00 -0.24 1.52 0.28 -0.56 0.00 0.00 175.26 176.27 2qt3 n VAL 361 N 0.90 0.01 0.00 3.70 0.31 -1.26 -1.78 118.33 120.21 2qt3 n VAL 361 Ca -0.20 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2qt3 n VAL 361 Cb 0.58 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 2qt3 n VAL 361 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qt3 n GLY 362 N 3.21 2.54 3.96 2.92 0.00 0.86 -4.94 105.19 113.74 2qt3 n GLY 362 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 2qt3 n GLY 362 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qt3 s LYS 363 N -0.93 2.94 0.28 1.61 1.02 -0.73 -4.68 119.74 119.26 2qt3 s LYS 363 Ca 0.00 -0.58 -0.29 0.00 0.02 0.00 0.00 55.97 55.12 2qt3 s LYS 363 Cb 0.00 -2.55 -0.13 0.00 -0.52 0.00 0.00 37.83 34.63 2qt3 s LYS 363 CO 0.00 -0.37 1.27 1.63 -0.92 0.00 0.00 175.35 176.96 2qt3 n LYS 364 N -2.13 1.88 -1.85 1.68 4.76 -1.17 0.13 118.16 121.46 2qt3 n LYS 364 Ca 0.03 0.66 -0.41 0.00 -2.87 0.00 0.00 58.31 55.72 2qt3 n LYS 364 Cb 0.58 -2.22 -0.01 0.00 -1.84 0.00 0.00 35.03 31.54 2qt3 n LYS 364 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qt3 n ALA 365 N 0.93 6.17 -3.74 7.82 0.00 0.17 -4.58 120.51 127.29 2qt3 n ALA 365 Ca 0.09 -3.96 -0.36 0.00 0.00 0.00 0.00 53.44 49.21 2qt3 n ALA 365 Cb 0.33 -3.22 -0.12 0.00 0.00 0.00 0.00 19.45 16.44 2qt3 n ALA 365 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qt3 s ASP 366 N 1.83 5.16 0.14 0.00 1.01 -1.26 -1.69 116.67 121.85 2qt3 s ASP 366 Ca 0.51 -1.84 0.01 0.00 0.71 0.00 0.00 52.55 51.94 2qt3 s ASP 366 Cb 0.14 -1.79 -0.04 0.00 1.01 0.00 0.00 42.92 42.24 2qt3 s ASP 366 CO -0.06 -0.47 -0.00 -0.76 0.21 0.00 0.00 175.17 174.09 2qt3 s LEU 367 N 1.16 2.15 -0.07 1.23 1.02 0.57 -2.61 118.68 122.13 2qt3 s LEU 367 Ca 0.05 -1.13 0.01 0.00 0.02 0.00 0.00 54.13 53.08 2qt3 s LEU 367 Cb -0.22 0.04 0.02 0.00 0.02 0.00 0.00 46.19 46.05 2qt3 s LEU 367 CO -0.03 -0.59 -0.09 -0.69 0.02 0.00 0.00 176.35 174.97 2qt3 s VAL 368 N -3.76 0.90 -0.33 -1.59 1.01 0.32 0.05 120.40 117.00 2qt3 s VAL 368 Ca 0.20 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 2qt3 s VAL 368 Cb 0.06 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 2qt3 s VAL 368 CO 0.01 0.31 0.26 -0.69 0.00 0.00 0.00 175.10 174.99 2qt3 s VAL 369 N 0.98 5.26 0.45 2.92 1.01 0.11 -1.47 120.40 129.65 2qt3 s VAL 369 Ca -0.09 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.81 2qt3 s VAL 369 Cb -0.15 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2qt3 s VAL 369 CO 0.00 0.01 0.65 -0.76 0.00 0.00 0.00 175.10 175.01 2qt3 s LEU 370 N 1.79 3.63 -0.50 3.92 1.02 -0.54 -0.69 118.68 127.32 2qt3 s LEU 370 Ca 0.08 0.11 0.03 0.00 0.02 0.00 0.00 54.13 54.36 2qt3 s LEU 370 Cb -0.17 -3.01 0.56 0.00 0.02 0.00 0.00 46.19 43.59 2qt3 s LEU 370 CO 0.11 -0.75 1.86 -3.20 0.02 0.00 0.00 176.35 174.39 2qt3 n ASN 371 N -2.04 5.05 -4.16 2.29 5.15 -1.25 -4.43 115.26 115.87 2qt3 n ASN 371 Ca 0.03 -3.71 -0.12 0.00 -0.60 0.00 0.00 54.58 50.18 2qt3 n ASN 371 Cb 0.58 -0.83 -0.10 0.00 -0.53 0.00 0.00 39.78 38.90 2qt3 n ASN 371 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2qt3 s SER 372 N -1.78 1.18 0.29 1.20 0.01 -1.26 -4.92 113.70 108.41 2qt3 s SER 372 Ca 0.58 -0.92 0.14 0.00 1.31 0.00 0.00 55.95 57.06 2qt3 s SER 372 Cb 0.48 0.07 0.35 0.00 0.21 0.00 0.00 66.02 67.12 2qt3 s SER 372 CO 0.05 -0.40 1.58 -0.07 0.41 0.00 0.00 173.24 174.81 2qt3 h LEU 373 N 3.25 0.00 -7.91 2.44 3.38 -1.91 0.15 115.31 114.71 2qt3 h LEU 373 Ca -0.36 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.70 2qt3 h LEU 373 Cb 1.17 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 2qt3 h LEU 373 CO 0.60 0.55 0.34 -0.94 0.09 0.00 0.00 178.44 179.09 2qt3 s SER 374 N -6.58 -0.14 0.20 -0.43 1.04 -1.26 -4.01 113.70 102.52 2qt3 s SER 374 Ca 0.01 -0.70 -0.11 0.00 0.48 0.00 0.00 55.95 55.63 2qt3 s SER 374 Cb 0.11 0.67 0.23 0.00 0.10 0.00 0.00 66.02 67.13 2qt3 s SER 374 CO 0.74 -1.28 1.75 -0.65 0.98 0.00 0.00 173.24 174.78 2qt3 h PRO 375 N 2.00 0.41 0.27 4.02 0.11 -1.97 0.19 132.00 137.02 2qt3 h PRO 375 Ca -0.24 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 2qt3 h PRO 375 Cb 1.24 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2qt3 h PRO 375 CO 0.29 0.27 -0.16 1.96 -0.21 0.00 0.00 178.00 180.16 2qt3 h GLN 376 N 0.42 -0.39 -0.23 1.05 7.50 -1.92 -1.48 115.11 120.06 2qt3 h GLN 376 Ca 0.28 0.03 -0.04 0.00 0.50 0.00 0.00 58.65 59.41 2qt3 h GLN 376 Cb 0.31 0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.91 2qt3 h GLN 376 CO -0.27 -0.26 -0.05 -1.49 -1.50 0.00 0.00 178.83 175.27 2qt3 h TRP 377 N -0.40 0.36 -0.44 2.96 -0.00 -1.85 -1.35 115.95 115.22 2qt3 h TRP 377 Ca -0.03 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.89 58.76 2qt3 h TRP 377 Cb 0.33 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.16 29.37 2qt3 h TRP 377 CO -0.08 0.40 -0.01 0.00 -0.00 0.00 0.00 178.44 178.76 2qt3 h ALA 378 N 1.62 0.60 -0.29 1.49 0.00 -0.38 1.22 119.26 123.52 2qt3 h ALA 378 Ca 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2qt3 h ALA 378 Cb 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2qt3 h ALA 378 CO 0.01 0.39 0.12 0.82 0.00 0.00 0.00 179.25 180.59 2qt3 h ILE 379 N 0.63 1.18 -0.18 0.00 2.04 -0.92 -0.69 117.51 119.56 2qt3 h ILE 379 Ca 0.12 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 2qt3 h ILE 379 Cb 0.50 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2qt3 h ILE 379 CO 0.02 0.18 -0.07 0.40 0.00 0.00 0.00 178.15 178.69 2qt3 h ILE 380 N 0.32 1.30 -0.59 -0.67 2.04 -1.05 -3.32 117.51 115.54 2qt3 h ILE 380 Ca 0.10 -1.09 -0.09 0.00 1.00 0.00 0.00 64.86 64.78 2qt3 h ILE 380 Cb 0.18 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2qt3 h ILE 380 CO -0.01 0.33 0.01 0.44 0.00 0.00 0.00 178.15 178.92 2qt3 h ASP 381 N 0.06 1.01 -3.30 1.72 3.32 0.15 -3.47 116.42 115.91 2qt3 h ASP 381 Ca 0.04 -0.30 -0.41 0.00 0.02 0.00 0.00 57.03 56.39 2qt3 h ASP 381 Cb 0.53 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2qt3 h ASP 381 CO 0.02 1.06 -0.53 0.00 -1.72 0.00 0.00 179.24 178.07 2qt3 n GLN 382 N -4.22 -2.22 -2.48 3.56 1.13 -0.27 -4.94 117.38 107.93 2qt3 n GLN 382 Ca 0.03 0.97 -0.36 0.00 -1.94 0.00 0.00 57.00 55.69 2qt3 n GLN 382 Cb 0.33 -5.66 -0.03 0.00 0.11 0.00 0.00 30.24 24.99 2qt3 n GLN 382 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2qt3 s ALA 383 N -3.04 3.01 0.71 -1.58 0.00 -1.26 -5.01 121.76 114.60 2qt3 s ALA 383 Ca 0.05 0.73 -0.16 0.00 0.00 0.00 0.00 51.96 52.58 2qt3 s ALA 383 Cb -0.02 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.84 2qt3 s ALA 383 CO 0.06 -0.33 1.21 0.15 0.00 0.00 0.00 175.76 176.86 2qt3 s LYS 384 N -2.70 2.26 0.31 0.00 1.02 -1.26 -4.74 119.74 114.63 2qt3 s LYS 384 Ca 0.61 1.78 -0.29 0.00 0.02 0.00 0.00 55.97 58.09 2qt3 s LYS 384 Cb -0.22 -1.85 -0.10 0.00 -0.52 0.00 0.00 37.83 35.15 2qt3 s LYS 384 CO 0.27 -1.75 1.19 1.03 -0.92 0.00 0.00 175.35 175.17 2qt3 s ARG 385 N -3.83 4.47 -0.06 1.68 1.81 -1.26 -3.75 118.95 118.02 2qt3 s ARG 385 Ca 0.75 1.97 0.10 0.00 -1.72 0.00 0.00 55.73 56.83 2qt3 s ARG 385 Cb -0.30 -3.09 -0.24 0.00 -0.45 0.00 0.00 34.95 30.87 2qt3 s ARG 385 CO 0.44 0.01 0.59 1.28 -0.68 0.00 0.00 175.30 176.93 2qt3 n LEU 386 N 0.93 1.07 -3.61 2.53 4.77 0.14 -4.25 117.00 118.58 2qt3 n LEU 386 Ca -0.00 0.37 -0.14 0.00 -0.03 0.00 0.00 56.01 56.21 2qt3 n LEU 386 Cb 0.44 0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 2qt3 n LEU 386 CO 0.56 0.46 0.49 0.00 -1.33 0.00 0.00 177.39 177.56 2qt3 s VAL 388 N 0.02 1.37 -0.09 0.00 1.01 -0.70 0.04 120.40 122.05 2qt3 s VAL 388 Ca -0.01 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2qt3 s VAL 388 Cb -0.04 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.12 2qt3 s VAL 388 CO 0.01 0.41 -0.19 -0.63 0.00 0.00 0.00 175.10 174.70 2qt3 s ILE 389 N 0.58 1.67 -0.07 2.22 1.01 0.11 -1.33 121.20 125.38 2qt3 s ILE 389 Ca -0.16 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.72 2qt3 s ILE 389 Cb -0.16 -1.47 0.02 0.00 0.01 0.00 0.00 42.46 40.85 2qt3 s ILE 389 CO 0.05 0.47 -0.09 -0.75 0.00 0.00 0.00 174.94 174.62 2qt3 s LYS 390 N 0.54 1.45 -1.48 2.79 2.20 0.14 -0.31 119.74 125.07 2qt3 s LYS 390 Ca -0.16 -0.31 -0.12 0.00 -0.36 0.00 0.00 55.97 55.02 2qt3 s LYS 390 Cb -0.17 -1.30 0.06 0.00 -1.51 0.00 0.00 37.83 34.91 2qt3 s LYS 390 CO 0.06 -0.05 1.05 0.09 -0.36 0.00 0.00 175.35 176.13 2qt3 n ASN 391 N 4.09 -5.30 0.00 1.43 3.02 -1.00 -1.49 115.26 116.01 2qt3 n ASN 391 Ca -0.21 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 2qt3 n ASN 391 Cb 0.51 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.45 2qt3 n ASN 391 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qt3 n GLY 392 N -1.79 0.59 3.56 7.41 0.00 -0.68 -4.07 105.19 110.21 2qt3 n GLY 392 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2qt3 n GLY 392 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qt3 s ARG 393 N -0.39 2.53 -0.33 1.61 0.52 -0.55 -4.86 118.95 117.46 2qt3 s ARG 393 Ca 0.00 -0.72 -0.27 0.00 -0.52 0.00 0.00 55.73 54.22 2qt3 s ARG 393 Cb 0.00 -2.46 0.01 0.00 0.52 0.00 0.00 34.95 33.02 2qt3 s ARG 393 CO 0.00 0.61 0.99 0.42 0.02 0.00 0.00 175.30 177.34 2qt3 s ILE 394 N -0.92 4.57 -0.25 1.52 1.01 -1.26 -0.68 121.20 125.20 2qt3 s ILE 394 Ca 0.15 1.49 0.11 0.00 0.00 0.00 0.00 60.65 62.41 2qt3 s ILE 394 Cb -0.11 -4.35 -0.16 0.00 0.01 0.00 0.00 42.46 37.86 2qt3 s ILE 394 CO 0.05 -0.46 0.36 2.30 0.00 0.00 0.00 174.94 177.19 2qt3 n ILE 395 N 5.85 0.00 -3.95 2.92 -5.35 -0.45 -4.55 119.36 113.84 2qt3 n ILE 395 Ca 0.09 -0.25 -0.18 0.00 -0.27 0.00 0.00 62.75 62.14 2qt3 n ILE 395 Cb 0.48 0.58 -0.16 0.00 -1.74 0.00 0.00 39.64 38.79 2qt3 n ILE 395 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2qt3 s VAL 396 N -2.48 0.24 -0.18 7.28 1.01 -1.11 0.00 120.40 125.16 2qt3 s VAL 396 Ca -0.00 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 2qt3 s VAL 396 Cb 0.08 -0.33 0.06 0.00 0.00 0.00 0.00 36.38 36.18 2qt3 s VAL 396 CO 0.48 0.17 0.07 -0.75 0.00 0.00 0.00 175.10 175.06 2qt3 s LYS 397 N 1.11 0.31 -0.62 2.72 2.20 -0.53 -1.71 119.74 123.22 2qt3 s LYS 397 Ca -0.08 -0.21 -0.08 0.00 -0.36 0.00 0.00 55.97 55.24 2qt3 s LYS 397 Cb -0.14 -1.91 0.01 0.00 -1.51 0.00 0.00 37.83 34.29 2qt3 s LYS 397 CO -0.02 -0.65 0.65 -0.25 -0.36 0.00 0.00 175.35 174.73 2qt3 n ASP 398 N 5.18 -7.46 -2.46 1.43 8.00 -1.11 -3.27 116.55 116.86 2qt3 n ASP 398 Ca -0.08 0.06 -0.07 0.00 0.71 0.00 0.00 54.79 55.41 2qt3 n ASP 398 Cb 0.48 -4.80 -0.00 0.00 -0.02 0.00 0.00 41.12 36.78 2qt3 n ASP 398 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2qt3 n GLU 399 N -1.24 -2.57 -3.75 -1.24 2.13 -1.26 -4.93 120.64 107.78 2qt3 n GLU 399 Ca 0.01 0.33 -0.13 0.00 0.66 0.00 0.00 57.16 58.02 2qt3 n GLU 399 Cb 0.51 -4.88 -0.13 0.00 0.27 0.00 0.00 31.44 27.21 2qt3 n GLU 399 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2qt3 s VAL 400 N -2.33 -0.04 -0.16 6.31 0.11 -1.20 -5.10 120.40 117.99 2qt3 s VAL 400 Ca 0.00 0.13 -0.29 0.00 -2.93 0.00 0.00 61.98 58.89 2qt3 s VAL 400 Cb 0.00 -0.30 -0.02 0.00 -1.53 0.00 0.00 36.38 34.52 2qt3 s VAL 400 CO 0.00 0.05 1.40 -0.63 -3.33 0.00 0.00 175.10 172.59 2qt3 s ILE 401 N 0.99 4.03 0.00 7.04 1.01 -1.26 -1.45 121.20 131.56 2qt3 s ILE 401 Ca -0.07 1.24 0.00 0.00 0.00 0.00 0.00 60.65 61.81 2qt3 s ILE 401 Cb -0.09 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.53 2qt3 s ILE 401 CO -0.06 -0.17 0.00 0.52 0.00 0.00 0.00 174.94 175.23 2qt3 n VAL 402 N 5.60 0.00 0.84 2.92 0.31 0.10 -4.97 118.33 123.13 2qt3 n VAL 402 Ca 0.15 0.01 0.10 0.00 -0.01 0.00 0.00 64.34 64.60 2qt3 n VAL 402 Cb 0.45 -0.39 0.08 0.00 -0.91 0.00 0.00 33.84 33.07 2qt3 n VAL 402 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51