#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn3 s SER 46 N 0.00 2.22 -0.40 1.61 0.15 -1.26 -2.78 113.70 113.25 1xn3 s SER 46 Ca 0.00 -0.59 0.12 0.00 0.70 0.00 0.00 55.95 56.17 1xn3 s SER 46 Cb 0.00 -0.09 0.36 0.00 -1.71 0.00 0.00 66.02 64.58 1xn3 s SER 46 CO 0.00 -0.35 0.80 0.49 1.20 0.00 0.00 173.24 175.37 1xn3 n PHE 47 N 5.29 0.95 -0.21 3.44 3.01 -1.26 -4.96 117.46 123.71 1xn3 n PHE 47 Ca -0.06 -3.70 0.19 0.00 1.01 0.00 0.00 57.45 54.88 1xn3 n PHE 47 Cb 0.48 -0.42 0.53 0.00 -0.01 0.00 0.00 39.48 40.07 1xn3 n PHE 47 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 1xn3 h VAL 48 N 1.57 0.70 0.00 -4.37 -1.51 -1.96 0.38 116.25 111.06 1xn3 h VAL 48 Ca 0.08 -0.13 -0.01 0.00 -1.23 0.00 0.00 66.70 65.42 1xn3 h VAL 48 Cb 0.93 0.30 -0.00 0.00 -2.13 0.00 0.00 31.29 30.38 1xn3 h VAL 48 CO 0.56 0.07 -0.06 1.05 -1.23 0.00 0.00 177.57 177.95 1xn3 h GLU 1 N 0.37 0.00 0.00 5.19 -0.00 -1.96 -2.84 114.58 115.34 1xn3 h GLU 1 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.80 1xn3 h GLU 1 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.88 1xn3 h GLU 1 CO -0.15 0.06 -1.12 -1.33 -0.00 0.00 0.00 179.01 176.47 1xn3 n MET 2 N -3.57 0.35 -1.92 1.06 2.81 0.10 -4.58 117.12 111.37 1xn3 n MET 2 Ca -0.02 -0.03 -0.41 0.00 -1.81 0.00 0.00 57.70 55.43 1xn3 n MET 2 Cb 0.17 -1.46 -0.01 0.00 -0.71 0.00 0.00 33.22 31.20 1xn3 n MET 2 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1xn3 s VAL 3 N -3.00 2.36 -1.47 2.03 1.01 -1.07 -2.54 120.40 117.72 1xn3 s VAL 3 Ca 0.05 0.33 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 1xn3 s VAL 3 Cb 0.15 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.32 1xn3 s VAL 3 CO 0.84 0.07 0.61 0.47 0.00 0.00 0.00 175.10 177.09 1xn3 n ASP 4 N 1.49 -5.94 -0.92 3.32 10.43 -1.19 -4.89 116.55 118.84 1xn3 n ASP 4 Ca 0.04 -0.29 0.09 0.00 2.57 0.00 0.00 54.79 57.21 1xn3 n ASP 4 Cb 0.40 -4.75 0.25 0.00 1.84 0.00 0.00 41.12 38.86 1xn3 n ASP 4 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 1xn3 n ASN 5 N -2.32 2.69 -4.65 -2.24 6.94 -0.98 -4.85 115.26 109.85 1xn3 n ASN 5 Ca -0.10 -1.95 -0.23 0.00 -0.02 0.00 0.00 54.58 52.28 1xn3 n ASN 5 Cb 0.61 -0.29 -0.07 0.00 -2.36 0.00 0.00 39.78 37.67 1xn3 n ASN 5 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1xn3 s LEU 6 N -1.18 3.23 0.07 -4.53 1.43 -0.47 -4.41 118.68 112.82 1xn3 s LEU 6 Ca 0.35 -0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 52.79 1xn3 s LEU 6 Cb 0.19 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 1xn3 s LEU 6 CO 0.25 0.01 0.09 -0.13 0.23 0.00 0.00 176.35 176.81 1xn3 s ARG 7 N -3.61 0.72 0.00 1.70 0.52 -0.88 -0.09 118.95 117.31 1xn3 s ARG 7 Ca 0.31 -1.03 0.00 0.00 -0.52 0.00 0.00 55.73 54.49 1xn3 s ARG 7 Cb -0.07 0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.68 1xn3 s ARG 7 CO 0.20 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.74 1xn3 n GLY 8 N 0.10 0.58 3.55 -3.53 0.00 -1.26 -0.36 105.19 104.28 1xn3 n GLY 8 Ca -0.15 -2.15 -0.10 0.00 0.00 0.00 0.00 46.02 43.62 1xn3 n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xn3 s LYS 9 N -0.75 1.42 0.30 1.61 -2.85 -0.99 -4.73 119.74 113.75 1xn3 s LYS 9 Ca 0.00 -0.84 0.01 0.00 -1.00 0.00 0.00 55.97 54.14 1xn3 s LYS 9 Cb 0.00 0.54 0.53 0.00 -2.06 0.00 0.00 37.83 36.84 1xn3 s LYS 9 CO 0.00 -0.61 1.90 0.66 0.10 0.00 0.00 175.35 177.39 1xn3 h SER 10 N 2.15 0.92 -0.70 0.03 4.64 -1.93 0.23 113.55 118.87 1xn3 h SER 10 Ca -0.28 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 1xn3 h SER 10 Cb 1.27 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 63.14 1xn3 h SER 10 CO 0.36 0.57 0.36 1.23 -0.87 0.00 0.00 176.83 178.47 1xn3 h GLY 11 N 1.03 1.10 -0.33 -0.77 0.00 -1.96 -3.28 103.07 98.86 1xn3 h GLY 11 Ca 0.41 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1xn3 h GLY 11 CO -0.16 0.50 -0.21 -1.06 0.00 0.00 0.00 176.54 175.61 1xn3 n GLN 12 N -4.33 2.50 0.00 4.80 6.02 -1.12 -4.91 117.38 120.33 1xn3 n GLN 12 Ca 0.07 -0.47 0.00 0.00 -0.01 0.00 0.00 57.00 56.59 1xn3 n GLN 12 Cb 0.13 -1.01 0.00 0.00 1.02 0.00 0.00 30.24 30.38 1xn3 n GLN 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xn3 n GLY 13 N 0.88 1.46 3.59 1.08 0.00 0.78 -4.91 105.19 108.07 1xn3 n GLY 13 Ca 0.03 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 1xn3 n GLY 13 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xn3 s TYR 14 N -2.62 3.06 0.17 1.61 1.51 -1.26 -2.35 117.35 117.47 1xn3 s TYR 14 Ca 0.00 -0.03 0.06 0.00 -1.01 0.00 0.00 57.07 56.09 1xn3 s TYR 14 Cb 0.00 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 1xn3 s TYR 14 CO 0.00 0.24 -0.12 1.52 -1.11 0.00 0.00 175.55 176.08 1xn3 s TYR 15 N -0.36 1.46 0.11 2.71 -0.85 0.52 -1.06 117.35 119.88 1xn3 s TYR 15 Ca 0.06 -0.66 0.08 0.00 -0.52 0.00 0.00 57.07 56.03 1xn3 s TYR 15 Cb -0.12 -0.71 -0.04 0.00 0.38 0.00 0.00 41.96 41.47 1xn3 s TYR 15 CO 0.02 0.20 -0.20 0.54 -1.52 0.00 0.00 175.55 174.59 1xn3 s VAL 16 N -3.07 1.68 0.20 -3.49 0.11 0.68 -2.08 120.40 114.43 1xn3 s VAL 16 Ca 0.18 -1.56 -0.30 0.00 -2.93 0.00 0.00 61.98 57.37 1xn3 s VAL 16 Cb 0.00 -1.55 -0.08 0.00 -1.53 0.00 0.00 36.38 33.23 1xn3 s VAL 16 CO 0.03 -0.09 1.00 -0.70 -3.33 0.00 0.00 175.10 172.01 1xn3 s GLU 17 N -1.98 4.73 0.10 1.54 2.12 -1.26 0.03 118.70 123.99 1xn3 s GLU 17 Ca 0.07 1.57 -0.03 0.00 0.36 0.00 0.00 54.97 56.94 1xn3 s GLU 17 Cb -0.10 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 1xn3 s GLU 17 CO 0.04 0.31 0.07 -1.64 -0.54 0.00 0.00 175.26 173.50 1xn3 s MET 18 N -0.76 0.85 0.00 4.30 -1.94 0.25 -4.18 119.30 117.82 1xn3 s MET 18 Ca 0.45 -1.28 0.05 0.00 -1.71 0.00 0.00 55.69 53.19 1xn3 s MET 18 Cb -0.27 0.26 -0.01 0.00 2.01 0.00 0.00 34.83 36.82 1xn3 s MET 18 CO 0.33 -0.23 -0.15 0.95 -0.01 0.00 0.00 175.02 175.91 1xn3 s THR 19 N -3.98 1.20 0.09 2.05 -4.23 -0.14 -0.75 115.64 109.88 1xn3 s THR 19 Ca 0.16 -0.73 0.06 0.00 -1.18 0.00 0.00 61.69 60.00 1xn3 s THR 19 Cb 0.07 -1.01 -0.03 0.00 1.34 0.00 0.00 72.50 72.86 1xn3 s THR 19 CO -0.04 0.27 -0.16 0.68 -0.54 0.00 0.00 174.62 174.83 1xn3 s VAL 20 N -0.46 1.36 0.05 2.29 -7.23 0.11 -1.37 120.40 115.14 1xn3 s VAL 20 Ca 0.05 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1xn3 s VAL 20 Cb -0.06 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.56 1xn3 s VAL 20 CO -0.00 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 1xn3 n GLY 21 N 1.08 -1.75 2.84 2.32 0.00 -0.57 -0.22 105.19 108.88 1xn3 n GLY 21 Ca -0.20 -1.47 -0.25 0.00 0.00 0.00 0.00 46.02 44.10 1xn3 n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xn3 s SER 22 N -4.19 1.97 0.91 1.61 0.01 -1.26 -2.72 113.70 110.02 1xn3 s SER 22 Ca 0.00 -0.24 -0.11 0.00 1.31 0.00 0.00 55.95 56.92 1xn3 s SER 22 Cb 0.00 -0.65 0.14 0.00 0.21 0.00 0.00 66.02 65.72 1xn3 s SER 22 CO 0.00 -0.16 1.11 -2.16 0.41 0.00 0.00 173.24 172.44 1xn3 s PRO 23 N 1.83 1.12 0.14 12.44 0.04 -1.26 -1.04 135.00 148.27 1xn3 s PRO 23 Ca 0.05 1.26 -0.34 0.00 0.04 0.00 0.00 61.00 62.00 1xn3 s PRO 23 Cb -0.13 -1.76 -0.14 0.00 0.04 0.00 0.00 34.50 32.52 1xn3 s PRO 23 CO -0.07 -2.46 1.61 -2.30 0.04 0.00 0.00 177.00 173.82 1xn3 n PRO 24 N -4.09 2.16 -3.78 0.56 -0.02 -1.10 -4.92 135.00 123.80 1xn3 n PRO 24 Ca 0.09 0.78 -0.36 0.00 -2.02 0.00 0.00 63.50 61.99 1xn3 n PRO 24 Cb 0.53 -2.56 -0.13 0.00 -0.02 0.00 0.00 33.50 31.33 1xn3 n PRO 24 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1xn3 s GLN 25 N 1.19 3.59 0.05 -0.52 -0.21 0.69 -4.89 119.66 119.56 1xn3 s GLN 25 Ca 0.80 -0.52 -0.28 0.00 0.02 0.00 0.00 55.36 55.38 1xn3 s GLN 25 Cb -0.68 -3.26 -0.05 0.00 1.00 0.00 0.00 33.01 30.02 1xn3 s GLN 25 CO 0.39 -0.20 0.90 0.99 -2.12 0.00 0.00 175.29 175.26 1xn3 s THR 26 N 1.59 4.71 0.01 -0.19 2.01 -1.26 -0.72 115.64 121.78 1xn3 s THR 26 Ca 0.06 1.92 -0.07 0.00 0.31 0.00 0.00 61.69 63.91 1xn3 s THR 26 Cb -0.15 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.10 1xn3 s THR 26 CO 0.02 0.27 0.14 -0.76 -0.69 0.00 0.00 174.62 173.60 1xn3 s LEU 27 N 0.36 1.57 -0.20 4.42 1.43 0.07 -4.94 118.68 121.40 1xn3 s LEU 27 Ca 0.46 -0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 53.15 1xn3 s LEU 27 Cb -0.22 0.68 -0.04 0.00 0.03 0.00 0.00 46.19 46.65 1xn3 s LEU 27 CO 0.27 -0.40 0.42 0.20 0.23 0.00 0.00 176.35 177.07 1xn3 s ASN 28 N -1.50 6.47 -0.11 2.29 0.02 -1.26 -0.58 114.94 120.27 1xn3 s ASN 28 Ca -0.13 0.55 0.03 0.00 -1.02 0.00 0.00 52.86 52.29 1xn3 s ASN 28 Cb -0.07 -2.24 0.01 0.00 0.02 0.00 0.00 41.25 38.97 1xn3 s ASN 28 CO 0.01 -0.08 -0.21 -0.63 0.02 0.00 0.00 177.10 176.20 1xn3 s ILE 29 N 1.30 1.89 0.19 0.60 -1.09 0.10 -0.12 121.20 124.08 1xn3 s ILE 29 Ca 0.20 -0.90 -0.31 0.00 -2.23 0.00 0.00 60.65 57.41 1xn3 s ILE 29 Cb -0.15 -1.66 -0.10 0.00 -1.58 0.00 0.00 42.46 38.98 1xn3 s ILE 29 CO 0.08 0.52 1.46 -0.22 -1.23 0.00 0.00 174.94 175.55 1xn3 s LEU 30 N 0.60 4.38 -0.37 2.97 2.96 -0.08 -0.23 118.68 128.90 1xn3 s LEU 30 Ca -0.13 2.56 -0.24 0.00 -0.22 0.00 0.00 54.13 56.10 1xn3 s LEU 30 Cb -0.17 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 42.93 1xn3 s LEU 30 CO 0.04 -0.71 0.81 -0.69 -1.32 0.00 0.00 176.35 174.48 1xn3 s VAL 31 N 0.56 4.69 -0.27 1.68 1.01 -0.22 0.10 120.40 127.95 1xn3 s VAL 31 Ca 0.63 0.89 0.01 0.00 0.00 0.00 0.00 61.98 63.52 1xn3 s VAL 31 Cb -0.41 -4.25 0.08 0.00 0.00 0.00 0.00 36.38 31.80 1xn3 s VAL 31 CO 0.37 -0.49 -0.00 -0.62 0.00 0.00 0.00 175.10 174.36 1xn3 s ASP 32 N 1.89 4.13 0.00 3.32 2.15 -0.39 -4.24 116.67 123.53 1xn3 s ASP 32 Ca 0.32 -1.51 0.29 0.00 0.43 0.00 0.00 52.55 52.08 1xn3 s ASP 32 Cb -0.13 -1.25 1.42 0.00 -0.30 0.00 0.00 42.92 42.66 1xn3 s ASP 32 CO 0.18 -0.30 1.95 0.35 -0.17 0.00 0.00 175.17 177.17 1xn3 n THR 33 N 4.59 0.02 -0.22 1.71 -2.24 -1.26 -0.15 114.28 116.73 1xn3 n THR 33 Ca -0.06 -0.13 0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1xn3 n THR 33 Cb 0.43 -0.02 0.31 0.00 -2.10 0.00 0.00 70.33 68.95 1xn3 n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xn3 n GLY 34 N 1.06 2.31 3.46 3.38 0.00 -1.26 -4.09 105.19 110.05 1xn3 n GLY 34 Ca 0.21 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 1xn3 n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xn3 s SER 35 N -1.08 0.70 0.00 1.61 1.04 -1.23 -4.98 113.70 109.76 1xn3 s SER 35 Ca 0.47 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1xn3 s SER 35 Cb 0.25 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.98 1xn3 s SER 35 CO 0.33 -1.21 0.53 -1.20 0.98 0.00 0.00 173.24 172.67 1xn3 n SER 36 N -1.11 0.63 -4.82 7.02 7.64 -1.26 -0.45 113.62 121.27 1xn3 n SER 36 Ca 0.01 -1.25 -0.35 0.00 1.01 0.00 0.00 58.87 58.29 1xn3 n SER 36 Cb 0.62 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.75 1xn3 n SER 36 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1xn3 s ASN 37 N -0.25 6.01 -0.37 6.43 -0.87 -1.26 -4.48 114.94 120.15 1xn3 s ASN 37 Ca 0.00 0.32 -0.15 0.00 -1.57 0.00 0.00 52.86 51.45 1xn3 s ASN 37 Cb 0.00 -1.85 -0.00 0.00 -0.02 0.00 0.00 41.25 39.38 1xn3 s ASN 37 CO 0.00 0.35 0.36 0.12 -2.57 0.00 0.00 177.10 175.36 1xn3 s PHE 38 N -1.09 3.21 -0.02 2.20 5.99 -1.26 -1.71 117.98 125.30 1xn3 s PHE 38 Ca 0.18 -0.20 0.02 0.00 0.00 0.00 0.00 56.93 56.93 1xn3 s PHE 38 Cb -0.12 -2.69 0.01 0.00 0.00 0.00 0.00 43.02 40.21 1xn3 s PHE 38 CO 0.08 -0.51 -0.06 0.00 -0.00 0.00 0.00 175.22 174.73 1xn3 s ALA 39 N 1.97 0.61 0.05 11.12 0.00 -0.71 -1.25 121.76 133.54 1xn3 s ALA 39 Ca 0.10 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 51.91 1xn3 s ALA 39 Cb -0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1xn3 s ALA 39 CO 0.12 0.09 -0.15 0.14 0.00 0.00 0.00 175.76 175.96 1xn3 s VAL 40 N 0.23 1.18 0.23 0.00 -7.23 -0.72 0.22 120.40 114.31 1xn3 s VAL 40 Ca -0.03 -1.10 -0.32 0.00 -1.81 0.00 0.00 61.98 58.73 1xn3 s VAL 40 Cb -0.07 -1.08 -0.13 0.00 0.56 0.00 0.00 36.38 35.66 1xn3 s VAL 40 CO -0.00 -0.02 1.59 0.61 -0.31 0.00 0.00 175.10 176.97 1xn3 n GLY 41 N 1.75 1.24 0.44 2.32 0.00 0.96 -0.61 105.19 111.29 1xn3 n GLY 41 Ca -0.19 0.56 0.06 0.00 0.00 0.00 0.00 46.02 46.45 1xn3 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xn3 n ALA 42 N 2.89 2.55 -3.51 4.61 0.00 -0.53 -0.50 120.51 126.02 1xn3 n ALA 42 Ca 0.13 -2.43 -0.12 0.00 0.00 0.00 0.00 53.44 51.02 1xn3 n ALA 42 Cb 0.33 -0.44 -0.04 0.00 0.00 0.00 0.00 19.45 19.31 1xn3 n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xn3 s ALA 43 N -2.06 -1.79 0.41 0.00 0.00 -1.25 -4.75 121.76 112.31 1xn3 s ALA 43 Ca 0.27 1.13 -0.25 0.00 0.00 0.00 0.00 51.96 53.12 1xn3 s ALA 43 Cb 0.26 0.12 -0.11 0.00 0.00 0.00 0.00 23.12 23.39 1xn3 s ALA 43 CO -0.02 -0.53 1.00 -0.35 0.00 0.00 0.00 175.76 175.86 1xn3 n PRO 44 N 0.26 1.34 -3.73 0.00 -0.04 -1.26 -4.92 135.00 126.64 1xn3 n PRO 44 Ca -0.13 0.48 -0.14 0.00 -0.04 0.00 0.00 63.50 63.67 1xn3 n PRO 44 Cb 0.60 -2.01 -0.09 0.00 -0.04 0.00 0.00 33.50 31.96 1xn3 n PRO 44 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1xn3 s HIS 45 N -1.26 -0.33 0.38 0.54 2.46 -1.26 -5.05 115.29 110.77 1xn3 s HIS 45 Ca 0.63 0.70 0.13 0.00 0.47 0.00 0.00 55.06 56.99 1xn3 s HIS 45 Cb -0.57 0.15 0.96 0.00 -0.13 0.00 0.00 32.58 32.98 1xn3 s HIS 45 CO 0.57 -0.33 1.84 -1.35 -2.47 0.00 0.00 174.74 173.00 1xn3 h PRO 46 N 4.54 0.52 -0.65 2.88 0.11 -2.01 -1.90 132.00 135.48 1xn3 h PRO 46 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1xn3 h PRO 46 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1xn3 h PRO 46 CO 0.33 0.35 0.00 1.19 -0.21 0.00 0.00 178.00 179.66 1xn3 n PHE 47 N -4.58 0.92 -4.27 0.65 0.99 -1.26 -4.89 117.46 105.02 1xn3 n PHE 47 Ca 0.20 -0.45 -0.34 0.00 -0.00 0.00 0.00 57.45 56.86 1xn3 n PHE 47 Cb 0.64 -0.02 -0.14 0.00 -1.00 0.00 0.00 39.48 38.96 1xn3 n PHE 47 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1xn3 s LEU 48 N -1.06 2.80 0.10 4.37 1.43 -0.72 -4.63 118.68 120.97 1xn3 s LEU 48 Ca 0.44 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 53.11 1xn3 s LEU 48 Cb 0.23 -1.68 -0.18 0.00 0.03 0.00 0.00 46.19 44.59 1xn3 s LEU 48 CO 0.29 0.06 1.22 0.45 0.23 0.00 0.00 176.35 178.60 1xn3 h HIS 49 N 7.49 0.66 -4.25 0.29 3.86 -1.90 -3.41 115.15 117.88 1xn3 h HIS 49 Ca -0.35 -0.40 -0.17 0.00 -1.16 0.00 0.00 60.37 58.29 1xn3 h HIS 49 Cb 1.18 -0.06 -0.14 0.00 1.06 0.00 0.00 27.41 29.45 1xn3 h HIS 49 CO 0.54 1.25 -0.50 -0.98 0.86 0.00 0.00 177.93 179.10 1xn3 s ARG 50 N -3.04 1.12 0.24 2.45 1.70 -1.26 -5.11 118.95 115.05 1xn3 s ARG 50 Ca -0.06 -1.40 -0.19 0.00 -0.47 0.00 0.00 55.73 53.61 1xn3 s ARG 50 Cb 0.08 0.31 0.02 0.00 -0.57 0.00 0.00 34.95 34.79 1xn3 s ARG 50 CO 0.88 -0.37 0.62 1.52 -1.08 0.00 0.00 175.30 176.87 1xn3 s TYR 51 N -4.05 -0.11 -0.09 5.89 -0.85 -1.26 -4.91 117.35 111.97 1xn3 s TYR 51 Ca 0.26 -0.28 -0.30 0.00 -0.52 0.00 0.00 57.07 56.23 1xn3 s TYR 51 Cb 0.05 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.88 1xn3 s TYR 51 CO 0.05 -1.08 1.46 -0.47 -1.52 0.00 0.00 175.55 173.99 1xn3 s TYR 52 N -3.91 2.45 -0.62 -3.49 5.04 0.34 -4.94 117.35 112.22 1xn3 s TYR 52 Ca 0.12 0.61 -0.06 0.00 -2.44 0.00 0.00 57.07 55.29 1xn3 s TYR 52 Cb -0.03 -3.71 0.16 0.00 0.35 0.00 0.00 41.96 38.72 1xn3 s TYR 52 CO 0.03 -2.79 0.47 -0.65 -1.34 0.00 0.00 175.55 171.27 1xn3 s GLN 53 N 3.59 2.70 0.29 4.97 -0.21 -1.26 -4.44 119.66 125.31 1xn3 s GLN 53 Ca 0.64 -2.32 0.00 0.00 0.02 0.00 0.00 55.36 53.71 1xn3 s GLN 53 Cb -0.28 -3.89 0.51 0.00 1.00 0.00 0.00 33.01 30.34 1xn3 s GLN 53 CO 0.23 -1.19 1.90 0.00 -2.12 0.00 0.00 175.29 174.10 1xn3 h ARG 54 N 7.53 1.03 0.00 2.91 3.08 -1.93 -1.41 114.38 125.58 1xn3 h ARG 54 Ca -0.04 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1xn3 h ARG 54 Cb 1.00 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 1xn3 h ARG 54 CO 0.75 0.68 -0.00 1.96 -1.07 0.00 0.00 179.97 182.29 1xn3 h GLN 55 N 1.06 0.00 -0.16 0.04 4.20 -2.01 -0.44 115.11 117.81 1xn3 h GLN 55 Ca 0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.12 1xn3 h GLN 55 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1xn3 h GLN 55 CO -0.17 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.28 1xn3 n LEU 56 N -3.09 2.53 -4.44 1.46 4.77 -0.53 -4.83 117.00 112.86 1xn3 n LEU 56 Ca -0.02 -0.97 -0.36 0.00 -0.03 0.00 0.00 56.01 54.63 1xn3 n LEU 56 Cb 0.10 -0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 40.98 1xn3 n LEU 56 CO 0.21 0.48 -0.29 -0.55 -1.33 0.00 0.00 177.39 175.91 1xn3 s SER 57 N -1.76 5.06 0.51 -1.43 0.15 -0.18 -4.26 113.70 111.79 1xn3 s SER 57 Ca 0.34 -0.21 0.32 0.00 0.70 0.00 0.00 55.95 57.09 1xn3 s SER 57 Cb 0.20 -1.90 1.23 0.00 -1.71 0.00 0.00 66.02 63.85 1xn3 s SER 57 CO 0.30 -0.02 1.92 0.77 1.20 0.00 0.00 173.24 177.42 1xn3 h SER 58 N 8.14 0.00 -0.49 5.45 4.64 -1.38 -3.00 113.55 126.90 1xn3 h SER 58 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1xn3 h SER 58 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1xn3 h SER 58 CO 0.58 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.89 1xn3 n THR 59 N -3.00 0.72 -2.15 2.95 -2.24 -1.26 -4.99 114.28 104.32 1xn3 n THR 59 Ca 0.01 -0.86 -0.40 0.00 -2.27 0.00 0.00 64.05 60.53 1xn3 n THR 59 Cb 0.32 0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 69.30 1xn3 n THR 59 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1xn3 s TYR 60 N -1.23 3.05 -0.08 4.78 5.04 -1.14 -4.50 117.35 123.27 1xn3 s TYR 60 Ca 0.40 1.45 0.01 0.00 -2.44 0.00 0.00 57.07 56.48 1xn3 s TYR 60 Cb 0.22 -3.62 0.02 0.00 0.35 0.00 0.00 41.96 38.93 1xn3 s TYR 60 CO 0.30 -1.75 -0.09 1.03 -1.34 0.00 0.00 175.55 173.70 1xn3 s ARG 61 N -1.89 1.45 -0.25 4.97 0.52 -0.05 -4.98 118.95 118.72 1xn3 s ARG 61 Ca 0.51 -0.28 -0.23 0.00 -0.52 0.00 0.00 55.73 55.21 1xn3 s ARG 61 Cb -0.38 -1.38 -0.01 0.00 0.52 0.00 0.00 34.95 33.70 1xn3 s ARG 61 CO 0.50 -0.13 0.74 0.34 0.02 0.00 0.00 175.30 176.77 1xn3 s ASP 62 N 1.20 6.72 0.00 0.23 -1.08 -1.26 -0.79 116.67 121.69 1xn3 s ASP 62 Ca -0.05 0.89 0.29 0.00 -0.52 0.00 0.00 52.55 53.15 1xn3 s ASP 62 Cb -0.14 -2.39 1.22 0.00 -1.46 0.00 0.00 42.92 40.15 1xn3 s ASP 62 CO -0.02 -0.45 1.84 0.18 0.52 0.00 0.00 175.17 177.24 1xn3 n LEU 63 N 5.87 1.20 -3.92 -1.34 4.77 -1.05 -4.95 117.00 117.58 1xn3 n LEU 63 Ca 0.03 -0.40 -0.29 0.00 -0.03 0.00 0.00 56.01 55.31 1xn3 n LEU 63 Cb 0.48 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.57 1xn3 n LEU 63 CO 0.45 0.20 -0.20 0.54 -1.33 0.00 0.00 177.39 177.05 1xn3 n ARG 64 N -0.06 -2.28 -3.72 3.23 1.74 -1.26 -4.98 116.66 109.34 1xn3 n ARG 64 Ca 0.20 0.36 -0.12 0.00 -0.77 0.00 0.00 57.85 57.52 1xn3 n ARG 64 Cb 0.31 -4.16 -0.11 0.00 -1.02 0.00 0.00 32.46 27.49 1xn3 n ARG 64 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1xn3 s LYS 65 N -6.55 0.43 0.65 5.56 2.20 -1.26 -5.05 119.74 115.71 1xn3 s LYS 65 Ca 0.17 0.67 -0.05 0.00 -0.36 0.00 0.00 55.97 56.40 1xn3 s LYS 65 Cb -0.07 0.10 0.04 0.00 -1.51 0.00 0.00 37.83 36.39 1xn3 s LYS 65 CO 0.90 -0.11 0.94 0.20 -0.36 0.00 0.00 175.35 176.92 1xn3 s GLY 66 N 0.80 1.69 -0.18 5.54 0.00 -1.26 -0.43 107.32 113.47 1xn3 s GLY 66 Ca -0.05 -0.96 -0.14 0.00 0.00 0.00 0.00 44.72 43.58 1xn3 s GLY 66 CO -0.06 -0.61 0.47 0.54 0.00 0.00 0.00 173.10 173.45 1xn3 s VAL 67 N -3.08 -0.01 -0.06 1.40 0.11 -0.52 -4.78 120.40 113.46 1xn3 s VAL 67 Ca 0.58 0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.70 1xn3 s VAL 67 Cb -0.11 -0.68 -0.00 0.00 -1.53 0.00 0.00 36.38 34.07 1xn3 s VAL 67 CO 0.43 0.01 -0.19 -0.47 -3.33 0.00 0.00 175.10 171.56 1xn3 s TYR 68 N 0.77 1.94 -0.05 1.54 5.04 -1.26 -1.41 117.35 123.93 1xn3 s TYR 68 Ca -0.04 -0.63 -0.01 0.00 -2.44 0.00 0.00 57.07 53.96 1xn3 s TYR 68 Cb -0.05 -1.31 0.03 0.00 0.35 0.00 0.00 41.96 40.98 1xn3 s TYR 68 CO -0.06 -0.23 0.01 0.08 -1.34 0.00 0.00 175.55 174.01 1xn3 s VAL 69 N 0.14 0.20 -0.70 3.14 1.01 -0.24 -4.90 120.40 119.04 1xn3 s VAL 69 Ca -0.08 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.09 1xn3 s VAL 69 Cb -0.14 -0.34 0.34 0.00 0.00 0.00 0.00 36.38 36.25 1xn3 s VAL 69 CO 0.04 0.19 1.26 -0.81 0.00 0.00 0.00 175.10 175.78 1xn3 n PRO 70 N 4.68 3.82 -0.73 2.72 -0.04 -1.26 -0.20 135.00 144.00 1xn3 n PRO 70 Ca -0.16 -4.70 -0.25 0.00 -0.04 0.00 0.00 63.50 58.35 1xn3 n PRO 70 Cb 0.50 -2.30 0.02 0.00 -0.04 0.00 0.00 33.50 31.68 1xn3 n PRO 70 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xn3 n TYR 71 N -0.24 -3.24 -0.32 0.54 4.01 -0.44 -4.74 117.16 112.74 1xn3 n TYR 71 Ca 0.37 0.05 0.14 0.00 -0.16 0.00 0.00 57.90 58.31 1xn3 n TYR 71 Cb 0.38 -1.03 0.30 0.00 -0.31 0.00 0.00 39.34 38.68 1xn3 n TYR 71 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1xn3 h THR 72 N -0.53 0.16 -3.37 -0.72 2.02 -2.01 -3.29 112.91 105.17 1xn3 h THR 72 Ca -0.30 -0.03 -0.57 0.00 0.77 0.00 0.00 66.41 66.28 1xn3 h THR 72 Cb 0.92 0.06 -0.38 0.00 -1.74 0.00 0.00 68.15 67.02 1xn3 h THR 72 CO 0.19 0.02 -0.80 -1.58 0.37 0.00 0.00 175.52 173.72 1xn3 s GLN 73 N -5.96 1.56 0.00 6.66 0.74 -1.26 -5.06 119.66 116.34 1xn3 s GLN 73 Ca -0.12 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 54.67 1xn3 s GLN 73 Cb 0.28 -2.14 0.00 0.00 1.10 0.00 0.00 33.01 32.24 1xn3 s GLN 73 CO 0.77 -0.45 0.00 0.41 -0.55 0.00 0.00 175.29 175.48 1xn3 n GLY 74 N 4.82 -2.09 3.07 2.59 0.00 -1.24 -4.89 105.19 107.45 1xn3 n GLY 74 Ca -0.12 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 1xn3 n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xn3 s LYS 75 N -4.83 0.55 0.05 1.61 0.00 -0.76 -1.32 119.74 115.04 1xn3 s LYS 75 Ca 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 55.97 55.04 1xn3 s LYS 75 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 37.83 37.70 1xn3 s LYS 75 CO 0.00 -0.02 -0.03 1.67 0.00 0.00 0.00 175.35 176.97 1xn3 s TRP 76 N -2.30 0.50 0.04 1.78 1.48 0.72 -0.69 118.94 120.48 1xn3 s TRP 76 Ca -0.04 -1.04 0.05 0.00 -1.06 0.00 0.00 56.10 54.01 1xn3 s TRP 76 Cb -0.04 -0.38 -0.02 0.00 -1.16 0.00 0.00 33.47 31.87 1xn3 s TRP 76 CO -0.03 -0.37 -0.14 -1.21 -4.06 0.00 0.00 176.95 171.14 1xn3 s GLU 77 N -3.78 0.95 0.15 3.25 2.02 0.22 -1.08 118.70 120.43 1xn3 s GLU 77 Ca 0.06 -0.77 -0.07 0.00 0.02 0.00 0.00 54.97 54.21 1xn3 s GLU 77 Cb 0.07 -0.96 0.03 0.00 0.10 0.00 0.00 34.13 33.37 1xn3 s GLU 77 CO -0.10 0.24 0.36 0.41 0.02 0.00 0.00 175.26 176.19 1xn3 n GLY 78 N 1.89 1.46 3.19 -1.39 0.00 -0.50 -0.48 105.19 109.35 1xn3 n GLY 78 Ca -0.18 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 1xn3 n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xn3 s GLU 79 N -2.04 3.05 0.56 1.61 2.02 0.09 -1.43 118.70 122.56 1xn3 s GLU 79 Ca 0.07 -0.85 -0.17 0.00 0.02 0.00 0.00 54.97 54.05 1xn3 s GLU 79 Cb -0.02 -2.43 -0.05 0.00 0.10 0.00 0.00 34.13 31.73 1xn3 s GLU 79 CO 0.05 0.03 1.05 -0.51 0.02 0.00 0.00 175.26 175.90 1xn3 s LEU 80 N 0.70 3.59 0.00 1.80 1.43 0.43 -0.74 118.68 125.89 1xn3 s LEU 80 Ca -0.10 1.83 -0.28 0.00 -1.03 0.00 0.00 54.13 54.56 1xn3 s LEU 80 Cb -0.16 -4.54 0.09 0.00 0.03 0.00 0.00 46.19 41.61 1xn3 s LEU 80 CO 0.01 -1.04 1.24 0.61 0.23 0.00 0.00 176.35 177.40 1xn3 n GLY 81 N -0.83 0.21 3.25 -3.19 0.00 -0.79 -2.53 105.19 101.31 1xn3 n GLY 81 Ca 0.09 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 1xn3 n GLY 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xn3 s THR 82 N -2.02 1.01 0.14 2.61 -4.23 0.03 -0.39 115.64 112.79 1xn3 s THR 82 Ca 0.29 -2.03 -0.25 0.00 -1.18 0.00 0.00 61.69 58.52 1xn3 s THR 82 Cb -0.01 -1.94 0.07 0.00 1.34 0.00 0.00 72.50 71.96 1xn3 s THR 82 CO -0.01 -0.66 0.97 -0.62 -0.54 0.00 0.00 174.62 173.76 1xn3 s ASP 83 N -3.17 -0.18 0.14 3.99 -1.08 -0.94 -0.88 116.67 114.56 1xn3 s ASP 83 Ca 0.19 -0.38 -0.30 0.00 -0.52 0.00 0.00 52.55 51.54 1xn3 s ASP 83 Cb 0.04 0.47 -0.07 0.00 -1.46 0.00 0.00 42.92 41.90 1xn3 s ASP 83 CO 0.02 -0.86 0.97 -0.76 0.52 0.00 0.00 175.17 175.05 1xn3 s LEU 84 N -2.93 4.53 0.01 -1.34 1.43 -1.26 -1.60 118.68 117.52 1xn3 s LEU 84 Ca 0.12 1.85 0.04 0.00 -1.03 0.00 0.00 54.13 55.11 1xn3 s LEU 84 Cb -0.01 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 1xn3 s LEU 84 CO 0.02 -0.03 -0.13 -0.69 0.23 0.00 0.00 176.35 175.74 1xn3 s VAL 85 N -0.25 1.05 0.09 -1.59 1.01 0.23 -1.52 120.40 119.43 1xn3 s VAL 85 Ca 0.46 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 1xn3 s VAL 85 Cb -0.24 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1xn3 s VAL 85 CO 0.31 0.19 -0.01 -0.44 0.00 0.00 0.00 175.10 175.14 1xn3 s SER 86 N -0.59 0.62 -0.36 3.32 0.01 -0.47 -0.79 113.70 115.44 1xn3 s SER 86 Ca 0.04 -1.07 0.01 0.00 1.31 0.00 0.00 55.95 56.24 1xn3 s SER 86 Cb -0.06 0.20 0.11 0.00 0.21 0.00 0.00 66.02 66.48 1xn3 s SER 86 CO 0.00 -0.61 0.13 -0.63 0.41 0.00 0.00 173.24 172.54 1xn3 s ILE 87 N -3.88 1.43 0.27 1.44 1.01 -1.26 -0.97 121.20 119.25 1xn3 s ILE 87 Ca 0.13 -2.00 -0.09 0.00 0.00 0.00 0.00 60.65 58.69 1xn3 s ILE 87 Cb 0.07 -2.05 0.43 0.00 0.01 0.00 0.00 42.46 40.92 1xn3 s ILE 87 CO -0.05 -0.72 1.57 -0.65 0.00 0.00 0.00 174.94 175.09 1xn3 h PRO 88 N 7.57 -0.00 -2.14 2.79 0.11 -1.90 -0.73 132.00 137.71 1xn3 h PRO 88 Ca -0.08 0.00 -0.77 0.00 0.11 0.00 0.00 66.00 65.26 1xn3 h PRO 88 Cb 0.99 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 31.81 1xn3 h PRO 88 CO 0.50 -0.00 0.83 0.72 -0.21 0.00 0.00 178.00 179.84 1xn3 n HIS 89 N -5.61 2.97 -2.00 0.65 8.25 -1.26 -4.91 115.22 113.32 1xn3 n HIS 89 Ca 0.15 -2.63 0.00 0.00 -0.26 0.00 0.00 57.72 54.98 1xn3 n HIS 89 Cb 0.48 -1.09 0.00 0.00 1.12 0.00 0.00 29.99 30.50 1xn3 n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xn3 n GLY 90 N -0.25 4.04 3.71 -1.41 0.00 -0.28 -4.45 105.19 106.55 1xn3 n GLY 90 Ca 0.48 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 1xn3 n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xn3 s PRO 91 N 1.41 2.00 -1.42 1.61 0.04 -1.26 -4.84 135.00 132.55 1xn3 s PRO 91 Ca 0.00 1.85 -0.09 0.00 0.04 0.00 0.00 61.00 62.80 1xn3 s PRO 91 Cb 0.00 -1.81 0.06 0.00 0.04 0.00 0.00 34.50 32.80 1xn3 s PRO 91 CO 0.00 -1.96 2.36 -1.71 0.04 0.00 0.00 177.00 175.73 1xn3 n ASN 92 N -2.77 6.56 -4.29 6.66 2.85 -1.26 -4.64 115.26 118.37 1xn3 n ASN 92 Ca 0.14 -2.93 -0.15 0.00 -0.11 0.00 0.00 54.58 51.53 1xn3 n ASN 92 Cb 0.50 -1.50 -0.10 0.00 1.24 0.00 0.00 39.78 39.91 1xn3 n ASN 92 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1xn3 s VAL 93 N 0.98 0.64 -0.03 3.44 -7.23 -1.26 -5.15 120.40 111.79 1xn3 s VAL 93 Ca 0.53 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.72 1xn3 s VAL 93 Cb 0.15 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.69 1xn3 s VAL 93 CO -0.06 -0.21 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.57 1xn3 s THR 94 N -3.69 0.57 0.08 5.32 2.01 -1.26 -4.45 115.64 114.22 1xn3 s THR 94 Ca 0.32 -0.21 0.04 0.00 0.31 0.00 0.00 61.69 62.16 1xn3 s THR 94 Cb 0.07 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 1xn3 s THR 94 CO 0.10 0.21 -0.12 0.68 -0.69 0.00 0.00 174.62 174.79 1xn3 s VAL 95 N 0.50 1.02 -0.29 3.82 -7.23 0.03 -4.91 120.40 113.34 1xn3 s VAL 95 Ca -0.07 -1.46 -0.16 0.00 -1.81 0.00 0.00 61.98 58.48 1xn3 s VAL 95 Cb -0.10 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.62 1xn3 s VAL 95 CO 0.00 -0.39 0.44 -0.60 -0.31 0.00 0.00 175.10 174.24 1xn3 s ARG 96 N -2.24 3.90 0.20 4.82 3.52 -1.26 0.78 118.95 128.66 1xn3 s ARG 96 Ca 0.01 0.03 0.05 0.00 -0.13 0.00 0.00 55.73 55.69 1xn3 s ARG 96 Cb -0.07 -3.70 -0.05 0.00 -1.56 0.00 0.00 34.95 29.57 1xn3 s ARG 96 CO 0.01 -0.40 -0.06 0.00 -0.81 0.00 0.00 175.30 174.04 1xn3 s ALA 97 N 2.20 1.75 0.33 6.12 0.00 -0.63 -4.92 121.76 126.61 1xn3 s ALA 97 Ca 0.17 -1.67 -0.28 0.00 0.00 0.00 0.00 51.96 50.19 1xn3 s ALA 97 Cb -0.16 0.25 -0.09 0.00 0.00 0.00 0.00 23.12 23.12 1xn3 s ALA 97 CO 0.11 -0.15 1.13 -0.80 0.00 0.00 0.00 175.76 176.04 1xn3 s ASN 98 N -3.27 6.99 -0.03 0.00 0.01 -1.26 -2.21 114.94 115.17 1xn3 s ASN 98 Ca 0.24 2.30 -0.01 0.00 -0.71 0.00 0.00 52.86 54.68 1xn3 s ASN 98 Cb 0.04 -2.62 0.03 0.00 0.41 0.00 0.00 41.25 39.11 1xn3 s ASN 98 CO 0.06 -0.34 0.06 -0.63 -1.51 0.00 0.00 177.10 174.74 1xn3 s ILE 99 N -1.28 -0.08 -0.37 0.60 1.01 0.47 -4.61 121.20 116.95 1xn3 s ILE 99 Ca 0.49 0.26 -0.17 0.00 0.00 0.00 0.00 60.65 61.23 1xn3 s ILE 99 Cb -0.31 -0.13 0.00 0.00 0.01 0.00 0.00 42.46 42.03 1xn3 s ILE 99 CO 0.40 0.11 0.47 0.00 0.00 0.00 0.00 174.94 175.92 1xn3 s ALA 100 N 1.36 3.46 -0.44 9.38 0.00 -0.38 -1.88 121.76 133.27 1xn3 s ALA 100 Ca -0.06 -1.16 -0.29 0.00 0.00 0.00 0.00 51.96 50.46 1xn3 s ALA 100 Cb -0.13 -2.99 0.03 0.00 0.00 0.00 0.00 23.12 20.03 1xn3 s ALA 100 CO -0.04 -1.28 1.10 0.00 0.00 0.00 0.00 175.76 175.54 1xn3 s ALA 101 N 2.28 3.24 -0.28 0.00 0.00 0.08 -1.76 121.76 125.32 1xn3 s ALA 101 Ca 0.16 -0.42 -0.29 0.00 0.00 0.00 0.00 51.96 51.41 1xn3 s ALA 101 Cb -0.16 -3.82 -0.00 0.00 0.00 0.00 0.00 23.12 19.14 1xn3 s ALA 101 CO 0.13 -2.06 1.32 0.42 0.00 0.00 0.00 175.76 175.57 1xn3 s ILE 102 N 4.20 4.12 -0.18 0.00 1.01 0.22 -0.73 121.20 129.84 1xn3 s ILE 102 Ca 0.46 1.27 0.12 0.00 0.00 0.00 0.00 60.65 62.50 1xn3 s ILE 102 Cb -0.09 -4.11 -0.20 0.00 0.01 0.00 0.00 42.46 38.07 1xn3 s ILE 102 CO 0.28 -0.44 0.00 0.35 0.00 0.00 0.00 174.94 175.13 1xn3 n THR 103 N 6.17 1.22 -3.99 2.92 -2.24 0.36 -1.46 114.28 117.26 1xn3 n THR 103 Ca 0.15 -0.69 -0.14 0.00 -2.27 0.00 0.00 64.05 61.11 1xn3 n THR 103 Cb 0.46 -0.71 -0.14 0.00 -2.10 0.00 0.00 70.33 67.85 1xn3 n THR 103 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xn3 s GLU 104 N -2.43 0.19 -0.02 -0.78 0.41 -0.96 -4.91 118.70 110.19 1xn3 s GLU 104 Ca -0.14 -0.08 -0.19 0.00 -0.41 0.00 0.00 54.97 54.16 1xn3 s GLU 104 Cb 0.06 -0.19 0.03 0.00 -1.78 0.00 0.00 34.13 32.26 1xn3 s GLU 104 CO 0.67 0.04 0.40 -1.54 -0.49 0.00 0.00 175.26 174.35 1xn3 s SER 105 N -0.03 -0.30 -0.15 -0.19 1.04 -1.26 0.73 113.70 113.55 1xn3 s SER 105 Ca 0.01 0.22 -0.00 0.00 0.48 0.00 0.00 55.95 56.65 1xn3 s SER 105 Cb -0.01 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.51 1xn3 s SER 105 CO -0.00 -0.50 -0.06 -0.62 0.98 0.00 0.00 173.24 173.04 1xn3 s ASP 106 N -1.34 2.60 -1.40 7.02 2.15 0.14 -4.82 116.67 121.01 1xn3 s ASP 106 Ca -0.13 -0.53 -0.05 0.00 0.43 0.00 0.00 52.55 52.27 1xn3 s ASP 106 Cb -0.04 -0.90 0.03 0.00 -0.30 0.00 0.00 42.92 41.72 1xn3 s ASP 106 CO 0.05 -0.16 0.78 0.29 -0.17 0.00 0.00 175.17 175.96 1xn3 n LYS 107 N 4.90 -4.98 -0.01 4.34 5.02 -1.26 -1.83 118.16 124.33 1xn3 n LYS 107 Ca -0.12 0.59 -0.02 0.00 -2.02 0.00 0.00 58.31 56.73 1xn3 n LYS 107 Cb 0.49 -5.23 -0.01 0.00 -0.02 0.00 0.00 35.03 30.25 1xn3 n LYS 107 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1xn3 n PHE 108 N -4.44 0.00 -2.29 2.13 7.35 -1.26 -3.88 117.46 115.07 1xn3 n PHE 108 Ca -0.17 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.10 1xn3 n PHE 108 Cb 0.62 -0.13 -0.03 0.00 0.35 0.00 0.00 39.48 40.29 1xn3 n PHE 108 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1xn3 s PHE 109 N -1.79 3.33 -0.19 -5.13 0.40 -1.26 -5.01 117.98 108.34 1xn3 s PHE 109 Ca -0.08 1.27 -0.08 0.00 -0.60 0.00 0.00 56.93 57.45 1xn3 s PHE 109 Cb 0.01 -3.53 -0.04 0.00 0.51 0.00 0.00 43.02 39.97 1xn3 s PHE 109 CO 0.11 -1.63 0.08 0.42 0.70 0.00 0.00 175.22 174.89 1xn3 s ILE 110 N 0.24 4.89 -0.14 0.64 1.01 -1.26 -4.96 121.20 121.63 1xn3 s ILE 110 Ca 0.56 0.00 -0.35 0.00 0.00 0.00 0.00 60.65 60.87 1xn3 s ILE 110 Cb -0.34 -3.21 -0.12 0.00 0.01 0.00 0.00 42.46 38.79 1xn3 s ILE 110 CO 0.36 0.45 1.91 -3.20 0.00 0.00 0.00 174.94 174.46 1xn3 n ASN 111 N 3.58 3.22 -0.39 3.58 4.05 -1.26 -1.58 115.26 126.46 1xn3 n ASN 111 Ca -0.16 0.91 -0.05 0.00 0.45 0.00 0.00 54.58 55.73 1xn3 n ASN 111 Cb 0.52 -1.34 -0.02 0.00 1.23 0.00 0.00 39.78 40.17 1xn3 n ASN 111 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1xn3 n GLY 112 N 4.61 0.76 0.22 8.20 0.00 -1.26 -4.90 105.19 112.81 1xn3 n GLY 112 Ca 0.25 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.85 1xn3 n GLY 112 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xn3 h SER 113 N 0.00 0.00 0.00 1.61 4.64 -1.63 -3.47 113.55 114.70 1xn3 h SER 113 Ca -0.10 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1xn3 h SER 113 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1xn3 h SER 113 CO 0.15 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 172.91 1xn3 n ASN 114 N -3.07 -0.67 -4.73 4.97 5.15 -1.26 -4.98 115.26 110.67 1xn3 n ASN 114 Ca 0.04 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.70 1xn3 n ASN 114 Cb 0.53 -0.98 -0.08 0.00 -0.53 0.00 0.00 39.78 38.73 1xn3 n ASN 114 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 1xn3 s TRP 115 N -2.75 3.16 -0.57 1.20 1.48 -1.26 -4.64 118.94 115.56 1xn3 s TRP 115 Ca 0.00 0.11 0.05 0.00 -1.06 0.00 0.00 56.10 55.20 1xn3 s TRP 115 Cb 0.00 -1.67 0.06 0.00 -1.16 0.00 0.00 33.47 30.71 1xn3 s TRP 115 CO 0.00 0.50 0.77 0.39 -4.06 0.00 0.00 176.95 174.56 1xn3 n GLU 116 N 1.05 0.52 -3.83 3.25 4.71 0.83 -4.86 120.64 122.33 1xn3 n GLU 116 Ca -0.12 -1.04 -0.07 0.00 -0.01 0.00 0.00 57.16 55.92 1xn3 n GLU 116 Cb 0.52 -1.10 0.02 0.00 -1.01 0.00 0.00 31.44 29.87 1xn3 n GLU 116 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1xn3 s GLY 117 N -0.56 0.25 -0.01 0.62 0.00 -1.08 -0.03 107.32 106.50 1xn3 s GLY 117 Ca 0.07 -0.57 0.03 0.00 0.00 0.00 0.00 44.72 44.24 1xn3 s GLY 117 CO 0.06 0.52 -0.09 -1.50 0.00 0.00 0.00 173.10 172.09 1xn3 s ILE 118 N -2.39 0.73 -0.46 0.90 2.07 0.13 -0.90 121.20 121.29 1xn3 s ILE 118 Ca 0.17 -0.37 -0.03 0.00 -1.41 0.00 0.00 60.65 59.01 1xn3 s ILE 118 Cb -0.04 -0.63 0.12 0.00 0.13 0.00 0.00 42.46 42.04 1xn3 s ILE 118 CO 0.09 0.22 0.26 -0.22 -1.91 0.00 0.00 174.94 173.38 1xn3 s LEU 119 N -0.04 5.27 -0.33 8.50 2.96 0.11 -1.74 118.68 133.41 1xn3 s LEU 119 Ca 0.01 -2.21 -0.29 0.00 -0.22 0.00 0.00 54.13 51.42 1xn3 s LEU 119 Cb -0.06 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.80 1xn3 s LEU 119 CO -0.00 -0.51 1.30 -0.83 -1.32 0.00 0.00 176.35 174.99 1xn3 s GLY 120 N 1.61 1.33 0.00 7.98 0.00 -0.69 -1.26 107.32 116.29 1xn3 s GLY 120 Ca 0.10 0.02 0.25 0.00 0.00 0.00 0.00 44.72 45.08 1xn3 s GLY 120 CO -0.04 2.60 1.32 1.04 0.00 0.00 0.00 173.10 178.02 1xn3 n LEU 121 N 7.83 2.16 0.00 0.66 4.77 0.79 -4.27 117.00 128.93 1xn3 n LEU 121 Ca 0.15 -0.73 -0.16 0.00 -0.03 0.00 0.00 56.01 55.24 1xn3 n LEU 121 Cb 0.47 -0.02 0.11 0.00 -2.33 0.00 0.00 43.42 41.66 1xn3 n LEU 121 CO 0.65 0.38 0.44 0.00 -1.33 0.00 0.00 177.39 177.52 1xn3 n ALA 122 N 0.42 -1.01 -2.05 -1.18 0.00 0.41 -4.94 120.51 112.16 1xn3 n ALA 122 Ca 0.13 -0.91 -0.30 0.00 0.00 0.00 0.00 53.44 52.37 1xn3 n ALA 122 Cb 0.48 -0.05 -0.00 0.00 0.00 0.00 0.00 19.45 19.88 1xn3 n ALA 122 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1xn3 s TYR 123 N -2.44 3.58 0.43 0.00 1.51 -0.70 -4.60 117.35 115.14 1xn3 s TYR 123 Ca 0.39 1.10 0.21 0.00 -1.01 0.00 0.00 57.07 57.77 1xn3 s TYR 123 Cb -0.02 -2.54 1.18 0.00 -0.11 0.00 0.00 41.96 40.47 1xn3 s TYR 123 CO 0.28 -0.47 1.81 0.00 -1.11 0.00 0.00 175.55 176.07 1xn3 h ALA 124 N 0.09 2.37 -1.05 3.71 0.00 -1.87 -2.13 119.26 120.39 1xn3 h ALA 124 Ca -0.46 0.03 0.27 0.00 0.00 0.00 0.00 54.91 54.76 1xn3 h ALA 124 Cb 1.19 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 1xn3 h ALA 124 CO 0.62 -0.72 0.67 1.49 0.00 0.00 0.00 179.25 181.31 1xn3 h GLU 125 N 0.32 0.38 -0.46 0.00 4.57 -1.87 -0.16 114.58 117.37 1xn3 h GLU 125 Ca 0.54 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.70 1xn3 h GLU 125 Cb 1.51 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 30.01 1xn3 h GLU 125 CO -0.20 0.25 0.00 0.44 -1.18 0.00 0.00 179.01 178.32 1xn3 n ILE 126 N -4.65 1.87 -2.57 2.32 -5.35 -0.80 -4.63 119.36 105.56 1xn3 n ILE 126 Ca 0.26 -1.38 -0.33 0.00 -0.27 0.00 0.00 62.75 61.02 1xn3 n ILE 126 Cb 0.89 0.06 -0.04 0.00 -1.74 0.00 0.00 39.64 38.81 1xn3 n ILE 126 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xn3 s ALA 127 N -2.04 2.94 0.04 -1.28 0.00 -0.07 -4.57 121.76 116.78 1xn3 s ALA 127 Ca 0.43 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.87 1xn3 s ALA 127 Cb 0.30 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1xn3 s ALA 127 CO 0.17 -0.21 0.05 1.03 0.00 0.00 0.00 175.76 176.80 1xn3 s ARG 128 N -3.41 2.85 0.34 0.00 1.81 -1.26 -3.03 118.95 116.24 1xn3 s ARG 128 Ca 0.64 -0.65 0.11 0.00 -1.72 0.00 0.00 55.73 54.11 1xn3 s ARG 128 Cb -0.13 -2.71 0.60 0.00 -0.45 0.00 0.00 34.95 32.25 1xn3 s ARG 128 CO 0.21 0.60 1.76 -1.35 -0.68 0.00 0.00 175.30 175.83 1xn3 h PRO 129 N 3.76 0.06 0.00 3.54 0.11 -1.90 -3.47 132.00 134.10 1xn3 h PRO 129 Ca -0.48 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 1xn3 h PRO 129 Cb 1.17 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1xn3 h PRO 129 CO 0.62 0.47 0.10 -0.40 -0.21 0.00 0.00 178.00 178.58 1xn3 n ASP 130 N -4.03 -1.64 0.00 -2.05 5.75 -1.17 -5.04 116.55 108.36 1xn3 n ASP 130 Ca -0.02 -2.45 0.02 0.00 -0.01 0.00 0.00 54.79 52.34 1xn3 n ASP 130 Cb 0.46 2.83 0.12 0.00 -1.03 0.00 0.00 41.12 43.50 1xn3 n ASP 130 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1xn3 n ASP 131 N -1.54 0.00 0.07 -1.12 5.75 -1.26 -2.92 116.55 115.53 1xn3 n ASP 131 Ca -0.04 -1.32 0.12 0.00 -0.01 0.00 0.00 54.79 53.54 1xn3 n ASP 131 Cb 0.50 0.00 0.19 0.00 -1.03 0.00 0.00 41.12 40.78 1xn3 n ASP 131 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1xn3 h SER 132 N 0.00 0.00 -2.03 -1.12 4.64 -1.92 -3.44 113.55 109.69 1xn3 h SER 132 Ca 0.00 -0.17 -0.58 0.00 -0.47 0.00 0.00 61.79 60.57 1xn3 h SER 132 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 1xn3 h SER 132 CO 0.00 0.08 1.10 -0.22 -0.87 0.00 0.00 176.83 176.92 1xn3 s LEU 133 N -4.40 3.61 -0.11 5.97 2.96 -1.15 -4.97 118.68 120.58 1xn3 s LEU 133 Ca 0.06 -0.97 -0.33 0.00 -0.22 0.00 0.00 54.13 52.67 1xn3 s LEU 133 Cb 0.13 -2.53 -0.11 0.00 0.50 0.00 0.00 46.19 44.18 1xn3 s LEU 133 CO 0.71 -1.62 1.96 1.21 -1.32 0.00 0.00 176.35 177.30 1xn3 n GLU 134 N 8.74 2.17 -0.96 1.98 2.13 -1.26 -4.90 120.64 128.53 1xn3 n GLU 134 Ca 0.13 0.77 -0.32 0.00 0.66 0.00 0.00 57.16 58.40 1xn3 n GLU 134 Cb 0.49 -2.75 0.14 0.00 0.27 0.00 0.00 31.44 29.59 1xn3 n GLU 134 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1xn3 s PRO 135 N 4.59 1.47 0.15 5.31 0.02 -1.26 -4.46 135.00 140.82 1xn3 s PRO 135 Ca 0.95 1.57 -0.19 0.00 0.02 0.00 0.00 61.00 63.35 1xn3 s PRO 135 Cb -0.63 -1.78 0.05 0.00 0.02 0.00 0.00 34.50 32.16 1xn3 s PRO 135 CO 0.48 -2.30 1.68 0.35 -0.33 0.00 0.00 177.00 176.88 1xn3 h PHE 136 N -1.36 -0.22 -0.43 6.54 3.57 -1.80 -2.49 116.94 120.76 1xn3 h PHE 136 Ca -0.44 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.07 1xn3 h PHE 136 Cb 1.27 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 40.13 1xn3 h PHE 136 CO 0.50 -0.16 0.19 0.35 -2.23 0.00 0.00 178.31 176.97 1xn3 h PHE 137 N -0.03 0.59 -0.66 0.41 3.57 -1.92 0.23 116.94 119.14 1xn3 h PHE 137 Ca 0.15 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 1xn3 h PHE 137 Cb 0.26 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1xn3 h PHE 137 CO -0.31 0.45 0.09 -0.44 -2.23 0.00 0.00 178.31 175.87 1xn3 h ASP 138 N 0.61 1.06 -0.52 0.41 3.32 -1.83 -1.42 116.42 118.04 1xn3 h ASP 138 Ca 0.15 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 1xn3 h ASP 138 Cb 0.09 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1xn3 h ASP 138 CO -0.02 1.06 0.14 0.28 -1.72 0.00 0.00 179.24 178.98 1xn3 h SER 139 N 1.02 0.78 -0.28 6.45 0.02 -0.86 -1.20 113.55 119.48 1xn3 h SER 139 Ca 0.20 -0.23 0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1xn3 h SER 139 Cb 0.46 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 1xn3 h SER 139 CO 0.02 0.80 0.06 0.25 -1.14 0.00 0.00 176.83 176.82 1xn3 h LEU 140 N 0.72 0.01 -0.25 5.07 5.85 -0.62 -0.29 115.31 125.81 1xn3 h LEU 140 Ca 0.16 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1xn3 h LEU 140 Cb 0.32 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1xn3 h LEU 140 CO -0.00 0.04 0.03 0.58 -0.34 0.00 0.00 178.44 178.75 1xn3 h VAL 141 N 0.16 1.24 -0.66 1.05 2.07 -1.07 -1.90 116.25 117.14 1xn3 h VAL 141 Ca 0.13 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 1xn3 h VAL 141 Cb 0.14 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1xn3 h VAL 141 CO -0.17 0.25 0.27 0.11 0.02 0.00 0.00 177.57 178.05 1xn3 h LYS 142 N 0.22 0.96 -0.01 1.57 1.57 -1.02 -3.07 116.57 116.79 1xn3 h LYS 142 Ca 0.07 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1xn3 h LYS 142 Cb 0.35 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1xn3 h LYS 142 CO 0.01 0.78 -0.30 1.04 -0.57 0.00 0.00 179.45 180.40 1xn3 n GLN 143 N -4.31 0.75 -4.30 3.15 6.02 -0.14 -4.97 117.38 113.59 1xn3 n GLN 143 Ca 0.06 -0.45 -0.20 0.00 -0.01 0.00 0.00 57.00 56.40 1xn3 n GLN 143 Cb 0.17 -1.49 -0.08 0.00 1.02 0.00 0.00 30.24 29.85 1xn3 n GLN 143 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1xn3 s THR 144 N -2.56 0.04 -0.56 5.09 -4.23 -0.72 -5.03 115.64 107.65 1xn3 s THR 144 Ca 0.22 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.86 1xn3 s THR 144 Cb 0.19 -2.49 0.66 0.00 1.34 0.00 0.00 72.50 72.20 1xn3 s THR 144 CO 0.55 0.00 1.52 1.41 -0.54 0.00 0.00 174.62 177.56 1xn3 n HIS 145 N -0.63 1.62 -2.19 3.99 8.25 -1.26 -4.76 115.22 120.24 1xn3 n HIS 145 Ca 0.06 -0.58 -0.42 0.00 -0.26 0.00 0.00 57.72 56.53 1xn3 n HIS 145 Cb 0.63 -0.39 -0.03 0.00 1.12 0.00 0.00 29.99 31.32 1xn3 n HIS 145 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xn3 s VAL 146 N -2.31 3.68 0.51 1.59 1.01 -1.26 -4.96 120.40 118.66 1xn3 s VAL 146 Ca 0.45 1.04 -0.22 0.00 0.00 0.00 0.00 61.98 63.24 1xn3 s VAL 146 Cb 0.33 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.97 1xn3 s VAL 146 CO 0.15 -0.01 1.17 -2.65 0.00 0.00 0.00 175.10 173.75 1xn3 n PRO 147 N 5.59 1.46 -0.99 2.72 -0.02 -1.26 -4.71 135.00 137.79 1xn3 n PRO 147 Ca 0.14 0.53 -0.32 0.00 -2.02 0.00 0.00 63.50 61.83 1xn3 n PRO 147 Cb 0.43 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 1xn3 n PRO 147 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1xn3 n ASN 148 N -0.40 4.19 -3.58 2.55 5.15 -1.26 -4.28 115.26 117.62 1xn3 n ASN 148 Ca 0.10 -2.50 -0.11 0.00 -0.60 0.00 0.00 54.58 51.47 1xn3 n ASN 148 Cb 0.43 -1.17 -0.05 0.00 -0.53 0.00 0.00 39.78 38.46 1xn3 n ASN 148 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1xn3 s LEU 149 N 0.64 -0.40 0.04 1.20 0.20 -1.26 -1.42 118.68 117.68 1xn3 s LEU 149 Ca 0.48 0.48 -0.07 0.00 0.69 0.00 0.00 54.13 55.71 1xn3 s LEU 149 Cb 0.12 1.92 -0.00 0.00 -0.43 0.00 0.00 46.19 47.80 1xn3 s LEU 149 CO 0.02 -0.34 0.14 0.72 -0.29 0.00 0.00 176.35 176.59 1xn3 s PHE 150 N -0.95 0.14 0.04 5.38 -0.71 -1.11 -0.41 117.98 120.34 1xn3 s PHE 150 Ca -0.02 -0.39 0.05 0.00 -1.04 0.00 0.00 56.93 55.52 1xn3 s PHE 150 Cb -0.01 -0.09 -0.02 0.00 -1.21 0.00 0.00 43.02 41.69 1xn3 s PHE 150 CO 0.01 -0.38 -0.13 -1.54 -1.34 0.00 0.00 175.22 171.84 1xn3 s SER 151 N -2.06 1.57 -0.07 1.98 1.04 -0.45 -0.25 113.70 115.45 1xn3 s SER 151 Ca -0.06 -0.44 0.04 0.00 0.48 0.00 0.00 55.95 55.97 1xn3 s SER 151 Cb -0.02 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1xn3 s SER 151 CO -0.04 0.02 -0.18 -0.76 0.98 0.00 0.00 173.24 173.27 1xn3 s LEU 152 N -1.10 1.87 -0.36 2.42 1.43 0.24 -0.89 118.68 122.29 1xn3 s LEU 152 Ca 0.01 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1xn3 s LEU 152 Cb -0.08 -1.06 0.11 0.00 0.03 0.00 0.00 46.19 45.18 1xn3 s LEU 152 CO 0.01 0.11 0.10 -1.58 0.23 0.00 0.00 176.35 175.22 1xn3 s GLN 153 N 0.35 1.32 -0.18 1.70 0.74 0.43 -0.82 119.66 123.19 1xn3 s GLN 153 Ca -0.12 -1.76 -0.17 0.00 0.05 0.00 0.00 55.36 53.35 1xn3 s GLN 153 Cb -0.15 -2.84 -0.04 0.00 1.10 0.00 0.00 33.01 31.08 1xn3 s GLN 153 CO 0.05 -0.99 0.47 -0.51 -0.55 0.00 0.00 175.29 173.76 1xn3 s LEU 154 N 0.92 4.18 -0.38 3.68 1.43 -1.26 -0.23 118.68 127.01 1xn3 s LEU 154 Ca 0.12 0.65 -0.08 0.00 -1.03 0.00 0.00 54.13 53.79 1xn3 s LEU 154 Cb -0.20 -2.63 0.06 0.00 0.03 0.00 0.00 46.19 43.45 1xn3 s LEU 154 CO -0.11 -0.10 0.19 0.00 0.23 0.00 0.00 176.35 176.56 1xn3 s GLY 156 N 1.77 2.33 0.18 0.00 0.00 -1.26 -4.72 107.32 105.62 1xn3 s GLY 156 Ca 0.01 0.20 0.16 0.00 0.00 0.00 0.00 44.72 45.09 1xn3 s GLY 156 CO 0.02 0.44 1.16 0.00 0.00 0.00 0.00 173.10 174.73 1xn3 h ALA 157 N 2.00 0.65 0.00 3.20 0.00 -1.94 -3.44 119.26 119.73 1xn3 h ALA 157 Ca -0.48 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 53.81 1xn3 h ALA 157 Cb 1.18 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1xn3 h ALA 157 CO 0.63 0.74 0.00 0.41 0.00 0.00 0.00 179.25 181.03 1xn3 n GLY 158 N 1.30 0.81 3.46 0.00 0.00 -1.26 -5.01 105.19 104.48 1xn3 n GLY 158 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 1xn3 n GLY 158 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xn3 s PHE 159 N -3.11 -0.06 0.41 1.61 -0.71 -1.26 -4.83 117.98 110.02 1xn3 s PHE 159 Ca 0.00 -0.28 -0.25 0.00 -1.04 0.00 0.00 56.93 55.36 1xn3 s PHE 159 Cb 0.00 0.30 -0.08 0.00 -1.21 0.00 0.00 43.02 42.03 1xn3 s PHE 159 CO 0.00 -0.85 1.16 -1.25 -1.34 0.00 0.00 175.22 172.94 1xn3 s PRO 160 N -3.87 4.03 -0.12 1.99 0.04 -1.26 -4.90 135.00 130.91 1xn3 s PRO 160 Ca 0.09 1.80 -0.00 0.00 0.04 0.00 0.00 61.00 62.93 1xn3 s PRO 160 Cb 0.00 -2.63 -0.02 0.00 0.04 0.00 0.00 34.50 31.89 1xn3 s PRO 160 CO -0.04 -0.33 -0.11 -0.51 0.04 0.00 0.00 177.00 176.05 1xn3 s LEU 161 N -2.57 2.86 0.86 -3.56 1.43 -1.26 -5.04 118.68 111.40 1xn3 s LEU 161 Ca 0.58 -0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 53.31 1xn3 s LEU 161 Cb -0.30 -1.64 0.11 0.00 0.03 0.00 0.00 46.19 44.39 1xn3 s LEU 161 CO 0.37 0.21 1.17 0.54 0.23 0.00 0.00 176.35 178.87 1xn3 s ASN 162 N 0.10 3.99 0.48 2.29 6.03 -1.26 -4.69 114.94 121.88 1xn3 s ASN 162 Ca -0.05 0.80 0.19 0.00 -1.03 0.00 0.00 52.86 52.78 1xn3 s ASN 162 Cb -0.14 -1.28 1.20 0.00 -3.03 0.00 0.00 41.25 37.99 1xn3 s ASN 162 CO 0.04 -2.24 1.98 -0.61 -2.03 0.00 0.00 177.10 174.25 1xn3 h GLN 163 N -1.28 0.22 -0.33 3.55 5.75 -1.99 -0.41 115.11 120.61 1xn3 h GLN 163 Ca -0.47 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 57.93 1xn3 h GLN 163 Cb 1.32 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.81 1xn3 h GLN 163 CO 0.62 0.14 -0.10 1.03 -2.65 0.00 0.00 178.83 177.88 1xn3 h SER 164 N 0.22 0.66 0.00 -0.69 0.87 -1.99 -2.66 113.55 109.97 1xn3 h SER 164 Ca 0.27 -0.37 -0.19 0.00 -1.23 0.00 0.00 61.79 60.27 1xn3 h SER 164 Cb 0.77 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1xn3 h SER 164 CO -0.05 0.89 -0.66 -0.33 -0.53 0.00 0.00 176.83 176.15 1xn3 h GLU 165 N 0.43 0.62 0.00 2.24 5.08 -1.61 1.03 114.58 122.38 1xn3 h GLU 165 Ca 0.08 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 1xn3 h GLU 165 Cb 0.60 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1xn3 h GLU 165 CO 0.04 1.07 -0.21 0.28 -1.00 0.00 0.00 179.01 179.19 1xn3 h VAL 166 N 0.45 0.74 0.02 3.13 2.07 -1.13 0.50 116.25 122.02 1xn3 h VAL 166 Ca -0.02 -0.87 -0.28 0.00 0.82 0.00 0.00 66.70 66.35 1xn3 h VAL 166 Cb 1.24 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 32.51 1xn3 h VAL 166 CO 0.13 0.21 -1.56 0.18 0.02 0.00 0.00 177.57 176.55 1xn3 n LEU 167 N -3.69 1.99 0.00 2.57 4.77 -1.01 -4.18 117.00 117.46 1xn3 n LEU 167 Ca -0.01 0.37 0.05 0.00 -0.03 0.00 0.00 56.01 56.39 1xn3 n LEU 167 Cb 0.33 -0.97 0.27 0.00 -2.33 0.00 0.00 43.42 40.72 1xn3 n LEU 167 CO 0.33 0.40 0.61 0.00 -1.33 0.00 0.00 177.39 177.41 1xn3 n ALA 168 N -3.48 2.41 -2.54 -1.18 0.00 0.35 -4.85 120.51 111.22 1xn3 n ALA 168 Ca -0.36 -0.06 -0.25 0.00 0.00 0.00 0.00 53.44 52.77 1xn3 n ALA 168 Cb 0.76 -1.15 -0.11 0.00 0.00 0.00 0.00 19.45 18.96 1xn3 n ALA 168 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xn3 s SER 169 N -1.43 3.51 -0.27 0.00 1.04 0.16 -4.94 113.70 111.76 1xn3 s SER 169 Ca 0.14 -1.26 -0.16 0.00 0.48 0.00 0.00 55.95 55.15 1xn3 s SER 169 Cb 0.06 -0.31 -0.03 0.00 0.10 0.00 0.00 66.02 65.84 1xn3 s SER 169 CO 0.11 -0.33 0.42 -0.69 0.98 0.00 0.00 173.24 173.72 1xn3 s VAL 170 N -2.76 5.14 -1.78 5.02 1.01 -1.26 -4.79 120.40 120.98 1xn3 s VAL 170 Ca 0.33 0.66 0.26 0.00 0.00 0.00 0.00 61.98 63.23 1xn3 s VAL 170 Cb 0.05 -3.74 0.22 0.00 0.00 0.00 0.00 36.38 32.92 1xn3 s VAL 170 CO 0.16 0.13 1.49 0.61 0.00 0.00 0.00 175.10 177.49 1xn3 n GLY 171 N 4.60 -0.52 0.00 4.51 0.00 0.87 -4.90 105.19 109.75 1xn3 n GLY 171 Ca -0.07 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1xn3 n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xn3 n GLY 172 N 1.36 0.97 2.95 -0.02 0.00 -1.20 -0.48 105.19 108.77 1xn3 n GLY 172 Ca 0.12 -1.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.09 1xn3 n GLY 172 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xn3 s SER 173 N -4.00 0.47 -0.30 1.61 0.01 0.68 -1.36 113.70 110.80 1xn3 s SER 173 Ca 0.00 -0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.11 1xn3 s SER 173 Cb 0.00 -0.02 0.08 0.00 0.21 0.00 0.00 66.02 66.29 1xn3 s SER 173 CO 0.00 -0.02 0.00 -0.32 0.41 0.00 0.00 173.24 173.31 1xn3 s MET 174 N -0.42 1.60 -0.40 12.44 0.00 -1.26 -0.43 119.30 130.83 1xn3 s MET 174 Ca -0.02 -1.51 -0.20 0.00 0.00 0.00 0.00 55.69 53.96 1xn3 s MET 174 Cb -0.03 -2.89 0.01 0.00 0.00 0.00 0.00 34.83 31.92 1xn3 s MET 174 CO -0.00 -0.80 0.59 0.42 0.00 0.00 0.00 175.02 175.23 1xn3 s ILE 175 N 1.11 4.91 -0.32 10.11 -1.09 -0.07 -4.86 121.20 131.00 1xn3 s ILE 175 Ca 0.03 0.23 -0.18 0.00 -2.23 0.00 0.00 60.65 58.50 1xn3 s ILE 175 Cb -0.19 -4.10 -0.01 0.00 -1.58 0.00 0.00 42.46 36.58 1xn3 s ILE 175 CO -0.09 -0.42 0.53 -0.63 -1.23 0.00 0.00 174.94 173.10 1xn3 s ILE 176 N 2.63 5.01 0.00 2.92 1.01 -1.26 -1.34 121.20 130.17 1xn3 s ILE 176 Ca 0.21 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.42 1xn3 s ILE 176 Cb -0.15 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.39 1xn3 s ILE 176 CO 0.16 -0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.58 1xn3 n GLY 177 N 4.65 0.33 0.00 6.18 0.00 0.45 -4.74 105.19 112.05 1xn3 n GLY 177 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1xn3 n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xn3 n GLY 178 N -2.00 1.58 3.10 -0.02 0.00 -1.25 -4.36 105.19 102.25 1xn3 n GLY 178 Ca 0.00 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 1xn3 n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xn3 s ILE 179 N -2.67 1.54 -0.27 -0.61 1.01 -1.26 -3.96 121.20 114.98 1xn3 s ILE 179 Ca 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 60.65 59.89 1xn3 s ILE 179 Cb 0.00 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 41.11 1xn3 s ILE 179 CO 0.00 0.44 0.02 -0.62 0.00 0.00 0.00 174.94 174.79 1xn3 s ASP 180 N 0.59 4.77 0.32 3.58 3.68 -1.26 -3.64 116.67 124.71 1xn3 s ASP 180 Ca -0.15 -0.66 0.23 0.00 2.13 0.00 0.00 52.55 54.10 1xn3 s ASP 180 Cb -0.16 -1.80 1.17 0.00 -1.45 0.00 0.00 42.92 40.67 1xn3 s ASP 180 CO 0.05 -0.13 1.71 0.45 0.13 0.00 0.00 175.17 177.38 1xn3 h HIS 181 N 8.15 0.00 0.00 -5.34 3.86 -1.91 -2.44 115.15 117.48 1xn3 h HIS 181 Ca -0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 1xn3 h HIS 181 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1xn3 h HIS 181 CO 0.60 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 178.26 1xn3 n SER 182 N -2.30 0.00 -0.20 2.45 3.41 -1.26 -3.65 113.62 112.07 1xn3 n SER 182 Ca -0.00 -0.32 0.12 0.00 -0.26 0.00 0.00 58.87 58.40 1xn3 n SER 182 Cb 0.10 -0.22 0.20 0.00 -0.26 0.00 0.00 64.21 64.04 1xn3 n SER 182 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xn3 n LEU 183 N -1.22 1.10 -4.09 1.04 4.77 -0.92 -4.83 117.00 112.86 1xn3 n LEU 183 Ca 0.16 -0.33 -0.11 0.00 -0.03 0.00 0.00 56.01 55.70 1xn3 n LEU 183 Cb 0.20 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.11 1xn3 n LEU 183 CO 0.21 0.22 0.02 -0.72 -1.33 0.00 0.00 177.39 175.79 1xn3 s TYR 184 N -2.68 0.75 0.16 -1.77 1.13 -1.24 -0.82 117.35 112.87 1xn3 s TYR 184 Ca 0.18 -1.04 0.05 0.00 -1.41 0.00 0.00 57.07 54.84 1xn3 s TYR 184 Cb 0.18 -0.13 -0.04 0.00 -1.10 0.00 0.00 41.96 40.87 1xn3 s TYR 184 CO 0.62 -0.88 -0.10 0.95 -2.51 0.00 0.00 175.55 173.64 1xn3 s THR 185 N -3.96 1.18 0.00 -3.49 -4.23 -0.83 -4.77 115.64 99.54 1xn3 s THR 185 Ca 0.30 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1xn3 s THR 185 Cb 0.02 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.97 1xn3 s THR 185 CO 0.12 -0.71 0.00 0.61 -0.54 0.00 0.00 174.62 174.10 1xn3 n GLY 186 N -0.22 -0.68 3.77 3.99 0.00 -1.26 -3.81 105.19 106.97 1xn3 n GLY 186 Ca -0.10 -1.15 -0.23 0.00 0.00 0.00 0.00 46.02 44.55 1xn3 n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xn3 s SER 187 N -4.00 4.78 -0.09 1.61 1.04 -1.26 -4.98 113.70 110.81 1xn3 s SER 187 Ca 0.00 -0.78 -0.19 0.00 0.48 0.00 0.00 55.95 55.46 1xn3 s SER 187 Cb 0.00 -0.71 -0.04 0.00 0.10 0.00 0.00 66.02 65.37 1xn3 s SER 187 CO 0.00 -0.39 0.54 -0.76 0.98 0.00 0.00 173.24 173.61 1xn3 s LEU 188 N -3.91 4.31 -0.12 2.42 1.43 -1.26 -4.51 118.68 117.04 1xn3 s LEU 188 Ca 0.40 0.95 0.02 0.00 -1.03 0.00 0.00 54.13 54.46 1xn3 s LEU 188 Cb -0.02 -2.80 -0.01 0.00 0.03 0.00 0.00 46.19 43.39 1xn3 s LEU 188 CO 0.24 0.01 -0.17 0.26 0.23 0.00 0.00 176.35 176.91 1xn3 s TRP 189 N 0.47 2.71 -0.01 0.29 0.52 -0.46 -4.90 118.94 117.56 1xn3 s TRP 189 Ca 0.29 -0.77 0.00 0.00 0.02 0.00 0.00 56.10 55.64 1xn3 s TRP 189 Cb -0.16 -1.78 -0.04 0.00 -1.15 0.00 0.00 33.47 30.34 1xn3 s TRP 189 CO 0.13 -0.27 0.05 0.71 0.02 0.00 0.00 176.95 177.59 1xn3 s TYR 190 N 0.30 3.20 0.02 -1.98 1.51 -1.26 -0.49 117.35 118.65 1xn3 s TYR 190 Ca -0.13 0.16 0.09 0.00 -1.01 0.00 0.00 57.07 56.18 1xn3 s TYR 190 Cb -0.16 -1.72 -0.02 0.00 -0.11 0.00 0.00 41.96 39.94 1xn3 s TYR 190 CO 0.07 0.52 -0.25 -0.08 -1.11 0.00 0.00 175.55 174.69 1xn3 s THR 191 N -1.13 2.04 0.52 -0.71 -1.32 0.32 -3.54 115.64 111.82 1xn3 s THR 191 Ca 0.21 -1.26 -0.21 0.00 -1.21 0.00 0.00 61.69 59.22 1xn3 s THR 191 Cb -0.12 -1.73 -0.06 0.00 -1.51 0.00 0.00 72.50 69.09 1xn3 s THR 191 CO 0.12 0.42 1.24 -2.84 -2.21 0.00 0.00 174.62 171.35 1xn3 s PRO 192 N -1.00 3.35 -0.28 7.08 0.02 -1.26 -0.17 135.00 142.75 1xn3 s PRO 192 Ca 0.11 1.93 -0.22 0.00 0.02 0.00 0.00 61.00 62.83 1xn3 s PRO 192 Cb -0.10 -2.23 -0.01 0.00 0.02 0.00 0.00 34.50 32.19 1xn3 s PRO 192 CO 0.01 -0.93 0.73 0.42 -0.33 0.00 0.00 177.00 176.90 1xn3 s ILE 193 N -1.49 4.87 0.07 2.83 1.01 -0.68 -4.61 121.20 123.20 1xn3 s ILE 193 Ca 0.70 1.19 -0.23 0.00 0.00 0.00 0.00 60.65 62.31 1xn3 s ILE 193 Cb -0.33 -4.07 -0.15 0.00 0.01 0.00 0.00 42.46 37.93 1xn3 s ILE 193 CO 0.38 -0.13 1.61 -0.09 0.00 0.00 0.00 174.94 176.71 1xn3 h ARG 194 N 8.00 0.07 -3.09 2.79 2.43 -1.34 -3.45 114.38 119.79 1xn3 h ARG 194 Ca -0.25 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 58.74 1xn3 h ARG 194 Cb 1.11 -0.01 -0.26 0.00 -0.42 0.00 0.00 29.97 30.38 1xn3 h ARG 194 CO 0.84 0.20 -0.43 0.50 -1.51 0.00 0.00 179.97 179.57 1xn3 s ARG 195 N -5.60 0.28 -1.16 0.20 3.52 -1.26 -5.09 118.95 109.84 1xn3 s ARG 195 Ca -0.14 0.40 -0.19 0.00 -0.13 0.00 0.00 55.73 55.67 1xn3 s ARG 195 Cb 0.05 0.08 0.08 0.00 -1.56 0.00 0.00 34.95 33.61 1xn3 s ARG 195 CO 0.67 -0.07 1.55 -1.21 -0.81 0.00 0.00 175.30 175.44 1xn3 s GLU 196 N 0.40 3.82 0.00 5.12 2.02 -1.26 -4.09 118.70 124.71 1xn3 s GLU 196 Ca -0.02 -1.72 0.00 0.00 0.02 0.00 0.00 54.97 53.25 1xn3 s GLU 196 Cb -0.04 -5.37 0.00 0.00 0.10 0.00 0.00 34.13 28.82 1xn3 s GLU 196 CO -0.02 -2.15 0.00 -2.67 0.02 0.00 0.00 175.26 170.44 1xn3 n TRP 197 N 8.15 -0.04 -2.65 1.61 4.27 -1.26 -4.62 117.44 122.89 1xn3 n TRP 197 Ca 0.40 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.79 1xn3 n TRP 197 Cb 0.48 0.10 0.06 0.00 -1.36 0.00 0.00 31.31 30.59 1xn3 n TRP 197 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 1xn3 s TYR 198 N -0.21 2.32 -1.15 -2.67 2.02 -1.26 -1.71 117.35 114.69 1xn3 s TYR 198 Ca 0.00 -0.16 -0.18 0.00 -0.37 0.00 0.00 57.07 56.36 1xn3 s TYR 198 Cb 0.00 -2.79 0.10 0.00 -0.40 0.00 0.00 41.96 38.87 1xn3 s TYR 198 CO 0.00 -1.17 1.48 0.71 -1.57 0.00 0.00 175.55 175.00 1xn3 s TYR 199 N -2.88 2.98 0.06 2.71 1.51 -1.26 -4.83 117.35 115.63 1xn3 s TYR 199 Ca 0.61 -1.55 -0.23 0.00 -1.01 0.00 0.00 57.07 54.89 1xn3 s TYR 199 Cb -0.08 -4.54 -0.06 0.00 -0.11 0.00 0.00 41.96 37.16 1xn3 s TYR 199 CO 0.40 -1.67 0.68 -2.00 -1.11 0.00 0.00 175.55 171.85 1xn3 s GLU 200 N 3.41 4.40 0.36 -0.62 2.12 -1.26 -1.95 118.70 125.16 1xn3 s GLU 200 Ca 0.45 0.92 0.04 0.00 0.36 0.00 0.00 54.97 56.75 1xn3 s GLU 200 Cb -0.00 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 1xn3 s GLU 200 CO -0.01 0.43 0.17 0.14 -0.54 0.00 0.00 175.26 175.45 1xn3 s VAL 201 N -0.50 0.39 -0.15 3.70 -7.23 0.05 -0.89 120.40 115.77 1xn3 s VAL 201 Ca 0.34 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 1xn3 s VAL 201 Cb -0.20 -2.43 0.02 0.00 0.56 0.00 0.00 36.38 34.33 1xn3 s VAL 201 CO 0.21 0.00 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.23 1xn3 s ILE 202 N -3.37 1.56 -0.08 -0.62 1.01 -1.26 -4.12 121.20 114.33 1xn3 s ILE 202 Ca 0.31 -0.66 -0.18 0.00 0.00 0.00 0.00 60.65 60.11 1xn3 s ILE 202 Cb 0.03 -1.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.96 1xn3 s ILE 202 CO 0.18 0.42 0.50 -0.63 0.00 0.00 0.00 174.94 175.42 1xn3 s ILE 203 N 1.48 5.10 -0.24 2.92 1.01 -1.26 -1.79 121.20 128.42 1xn3 s ILE 203 Ca 0.04 1.01 0.06 0.00 0.00 0.00 0.00 60.65 61.77 1xn3 s ILE 203 Cb -0.13 -3.83 -0.07 0.00 0.01 0.00 0.00 42.46 38.44 1xn3 s ILE 203 CO -0.10 0.38 0.23 1.33 0.00 0.00 0.00 174.94 176.78 1xn3 n VAL 204 N 3.21 0.00 -3.55 2.92 0.24 0.38 -4.73 118.33 116.80 1xn3 n VAL 204 Ca -0.08 -0.33 -0.15 0.00 -2.04 0.00 0.00 64.34 61.74 1xn3 n VAL 204 Cb 0.52 0.92 -0.06 0.00 -1.47 0.00 0.00 33.84 33.75 1xn3 n VAL 204 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1xn3 s ARG 205 N -1.66 0.86 -0.03 7.34 3.52 -1.23 -4.80 118.95 122.95 1xn3 s ARG 205 Ca 0.02 0.31 0.01 0.00 -0.13 0.00 0.00 55.73 55.94 1xn3 s ARG 205 Cb 0.04 0.41 0.02 0.00 -1.56 0.00 0.00 34.95 33.86 1xn3 s ARG 205 CO 0.24 -0.25 -0.03 0.08 -0.81 0.00 0.00 175.30 174.53 1xn3 s VAL 206 N -0.94 0.38 0.08 7.11 1.01 -1.26 -0.63 120.40 126.14 1xn3 s VAL 206 Ca -0.06 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 61.90 1xn3 s VAL 206 Cb -0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 1xn3 s VAL 206 CO 0.06 0.16 -0.16 -1.61 0.00 0.00 0.00 175.10 173.55 1xn3 s GLU 207 N 0.63 0.93 -0.25 2.72 2.02 -0.59 -0.89 118.70 123.27 1xn3 s GLU 207 Ca -0.07 -1.03 0.02 0.00 0.02 0.00 0.00 54.97 53.90 1xn3 s GLU 207 Cb -0.11 -1.02 0.06 0.00 0.10 0.00 0.00 34.13 33.17 1xn3 s GLU 207 CO -0.00 0.23 -0.08 0.42 0.02 0.00 0.00 175.26 175.84 1xn3 s ILE 208 N -1.27 1.89 -1.38 -1.63 -1.09 -0.37 -1.61 121.20 115.75 1xn3 s ILE 208 Ca 0.01 -1.46 -0.01 0.00 -2.23 0.00 0.00 60.65 56.96 1xn3 s ILE 208 Cb -0.10 -2.07 0.01 0.00 -1.58 0.00 0.00 42.46 38.72 1xn3 s ILE 208 CO 0.03 -0.06 0.56 0.59 -1.23 0.00 0.00 174.94 174.83 1xn3 n ASN 209 N 4.53 -0.89 0.00 3.58 5.03 -0.27 -1.56 115.26 125.68 1xn3 n ASN 209 Ca -0.13 -0.92 0.00 0.00 0.87 0.00 0.00 54.58 54.40 1xn3 n ASN 209 Cb 0.43 -3.48 0.00 0.00 -1.02 0.00 0.00 39.78 35.71 1xn3 n ASN 209 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xn3 n GLY 210 N -1.79 2.61 3.66 7.41 0.00 -1.26 -4.97 105.19 110.84 1xn3 n GLY 210 Ca -0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1xn3 n GLY 210 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xn3 s GLN 211 N 0.00 4.26 0.13 1.61 0.74 -0.60 -4.96 119.66 120.84 1xn3 s GLN 211 Ca 0.00 1.01 -0.31 0.00 0.05 0.00 0.00 55.36 56.11 1xn3 s GLN 211 Cb 0.00 -3.60 -0.10 0.00 1.10 0.00 0.00 33.01 30.41 1xn3 s GLN 211 CO 0.00 -0.40 1.67 0.34 -0.55 0.00 0.00 175.29 176.36 1xn3 s ASP 212 N 1.21 6.53 0.58 6.67 2.15 -1.26 -1.23 116.67 131.32 1xn3 s ASP 212 Ca 0.37 2.64 0.36 0.00 0.43 0.00 0.00 52.55 56.35 1xn3 s ASP 212 Cb -0.16 -2.58 1.75 0.00 -0.30 0.00 0.00 42.92 41.63 1xn3 s ASP 212 CO 0.11 -0.91 2.14 0.25 -0.17 0.00 0.00 175.17 176.59 1xn3 h LEU 213 N 7.77 0.00 -1.71 -1.34 5.85 -1.39 -3.47 115.31 121.03 1xn3 h LEU 213 Ca -0.43 0.00 -0.45 0.00 0.84 0.00 0.00 57.88 57.83 1xn3 h LEU 213 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1xn3 h LEU 213 CO 0.93 0.03 -0.84 1.17 -0.34 0.00 0.00 178.44 179.40 1xn3 n LYS 214 N -3.23 -4.45 -4.06 1.25 4.81 -1.26 -5.01 118.16 106.21 1xn3 n LYS 214 Ca -0.01 0.55 -0.22 0.00 -0.87 0.00 0.00 58.31 57.76 1xn3 n LYS 214 Cb 0.21 -5.02 -0.05 0.00 0.02 0.00 0.00 35.03 30.20 1xn3 n LYS 214 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1xn3 s MET 215 N -6.25 2.76 0.12 1.64 -1.94 -1.26 -5.04 119.30 109.33 1xn3 s MET 215 Ca 0.10 -1.19 -0.31 0.00 -1.71 0.00 0.00 55.69 52.58 1xn3 s MET 215 Cb -0.05 -2.46 -0.10 0.00 2.01 0.00 0.00 34.83 34.22 1xn3 s MET 215 CO 0.84 0.30 1.83 0.34 -0.01 0.00 0.00 175.02 178.32 1xn3 s ASP 216 N -3.86 6.43 0.62 3.03 3.68 -1.26 -4.84 116.67 120.47 1xn3 s ASP 216 Ca 0.35 2.75 0.34 0.00 2.13 0.00 0.00 52.55 58.12 1xn3 s ASP 216 Cb -0.07 -2.57 1.91 0.00 -1.45 0.00 0.00 42.92 40.75 1xn3 s ASP 216 CO 0.25 -1.00 2.18 0.00 0.13 0.00 0.00 175.17 176.73 1xn3 h LYS 218 N 0.00 0.00 -0.12 0.00 1.57 -1.81 -1.30 116.57 114.91 1xn3 h LYS 218 Ca 0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1xn3 h LYS 218 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1xn3 h LYS 218 CO -0.00 0.01 -0.05 0.93 -0.57 0.00 0.00 179.45 179.77 1xn3 h GLU 219 N 0.00 0.17 0.00 3.15 4.39 -1.27 -0.36 114.58 120.66 1xn3 h GLU 219 Ca -0.00 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 1xn3 h GLU 219 Cb 0.01 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1xn3 h GLU 219 CO 0.00 0.23 -0.31 1.88 -1.16 0.00 0.00 179.01 179.66 1xn3 h TYR 220 N 0.17 0.00 -0.10 4.33 0.99 -1.37 -2.74 116.97 118.24 1xn3 h TYR 220 Ca 0.04 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.77 1xn3 h TYR 220 Cb 0.20 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 37.93 1xn3 h TYR 220 CO 0.00 0.31 -0.01 0.09 -0.00 0.00 0.00 178.16 178.55 1xn3 n ASN 221 N -3.56 2.92 -4.54 3.88 3.02 -0.97 -4.37 115.26 111.63 1xn3 n ASN 221 Ca -0.00 -3.08 -0.38 0.00 -0.03 0.00 0.00 54.58 51.08 1xn3 n ASN 221 Cb 0.45 -0.48 -0.05 0.00 -0.61 0.00 0.00 39.78 39.10 1xn3 n ASN 221 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xn3 n TYR 222 N -1.09 1.39 0.00 3.10 9.36 -0.18 -0.91 117.16 128.82 1xn3 n TYR 222 Ca 0.18 0.13 0.00 0.00 3.32 0.00 0.00 57.90 61.53 1xn3 n TYR 222 Cb 0.74 -2.61 0.00 0.00 -0.63 0.00 0.00 39.34 36.84 1xn3 n TYR 222 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1xn3 n ASP 223 N 14.67 0.00 -3.60 2.98 4.64 -1.26 -3.35 116.55 130.63 1xn3 n ASP 223 Ca 0.40 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.81 1xn3 n ASP 223 Cb 0.47 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.54 1xn3 n ASP 223 CO 0.00 0.00 0.00 -1.59 -0.82 0.00 0.00 177.20 174.79 1xn3 s LYS 224 N 0.00 0.23 -0.06 -0.67 -2.85 -0.09 -4.77 119.74 111.52 1xn3 s LYS 224 Ca 0.00 -0.11 0.01 0.00 -1.00 0.00 0.00 55.97 54.87 1xn3 s LYS 224 Cb 0.00 0.09 0.02 0.00 -2.06 0.00 0.00 37.83 35.88 1xn3 s LYS 224 CO 0.00 -0.10 -0.07 -1.12 0.10 0.00 0.00 175.35 174.16 1xn3 s SER 225 N -2.67 1.44 0.13 0.03 0.01 -1.26 0.16 113.70 111.54 1xn3 s SER 225 Ca 0.13 -0.20 0.03 0.00 1.31 0.00 0.00 55.95 57.22 1xn3 s SER 225 Cb 0.03 -0.62 -0.04 0.00 0.21 0.00 0.00 66.02 65.60 1xn3 s SER 225 CO -0.04 -0.05 -0.07 0.27 0.41 0.00 0.00 173.24 173.75 1xn3 s ILE 226 N 1.05 0.94 -0.31 1.44 -4.36 -0.47 -0.77 121.20 118.71 1xn3 s ILE 226 Ca -0.08 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.18 1xn3 s ILE 226 Cb -0.14 -1.83 -0.03 0.00 1.25 0.00 0.00 42.46 41.70 1xn3 s ILE 226 CO -0.00 -0.75 0.22 -0.69 0.24 0.00 0.00 174.94 173.95 1xn3 s VAL 227 N -3.48 5.27 -0.32 8.37 1.01 -0.82 -0.77 120.40 129.66 1xn3 s VAL 227 Ca 0.16 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1xn3 s VAL 227 Cb 0.04 -3.62 0.10 0.00 0.00 0.00 0.00 36.38 32.90 1xn3 s VAL 227 CO -0.01 0.11 0.09 -0.62 0.00 0.00 0.00 175.10 174.67 1xn3 s ASP 228 N 1.73 4.22 0.00 3.32 2.15 -0.10 -4.45 116.67 123.54 1xn3 s ASP 228 Ca 0.06 -1.82 0.11 0.00 0.43 0.00 0.00 52.55 51.33 1xn3 s ASP 228 Cb -0.17 -1.08 0.47 0.00 -0.30 0.00 0.00 42.92 41.84 1xn3 s ASP 228 CO 0.11 -0.40 1.34 -1.54 -0.17 0.00 0.00 175.17 174.51 1xn3 n SER 229 N 4.63 0.00 -0.97 -0.34 3.41 -1.26 -2.26 113.62 116.82 1xn3 n SER 229 Ca 0.00 0.48 0.09 0.00 -0.26 0.00 0.00 58.87 59.19 1xn3 n SER 229 Cb 0.42 -0.49 0.26 0.00 -0.26 0.00 0.00 64.21 64.13 1xn3 n SER 229 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xn3 n GLY 230 N -0.38 1.42 3.27 5.00 0.00 -1.26 -4.59 105.19 108.65 1xn3 n GLY 230 Ca 0.03 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 1xn3 n GLY 230 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xn3 s THR 231 N -1.37 1.97 -0.05 2.61 2.01 -0.96 -5.04 115.64 114.82 1xn3 s THR 231 Ca 0.36 -1.05 -0.22 0.00 0.31 0.00 0.00 61.69 61.10 1xn3 s THR 231 Cb 0.19 -1.66 -0.16 0.00 0.01 0.00 0.00 72.50 70.89 1xn3 s THR 231 CO 0.26 0.55 0.91 0.74 -0.69 0.00 0.00 174.62 176.39 1xn3 h THR 232 N 4.81 0.90 -3.89 -0.82 2.02 -1.86 0.29 112.91 114.36 1xn3 h THR 232 Ca -0.37 -1.14 -0.46 0.00 0.77 0.00 0.00 66.41 65.21 1xn3 h THR 232 Cb 1.15 1.51 0.09 0.00 -1.74 0.00 0.00 68.15 69.16 1xn3 h THR 232 CO 0.47 0.23 0.27 0.20 0.37 0.00 0.00 175.52 177.06 1xn3 s ASN 233 N -5.50 4.67 -0.29 4.18 0.01 -1.26 -1.02 114.94 115.73 1xn3 s ASN 233 Ca -0.13 0.49 -0.21 0.00 -0.71 0.00 0.00 52.86 52.30 1xn3 s ASN 233 Cb 0.00 -1.07 -0.01 0.00 0.41 0.00 0.00 41.25 40.58 1xn3 s ASN 233 CO 0.50 -1.71 0.65 -0.22 -1.51 0.00 0.00 177.10 174.81 1xn3 s LEU 234 N -5.33 4.12 -0.14 0.60 0.20 -0.66 -2.05 118.68 115.43 1xn3 s LEU 234 Ca 0.61 0.53 -0.03 0.00 0.69 0.00 0.00 54.13 55.94 1xn3 s LEU 234 Cb -0.10 -2.87 -0.03 0.00 -0.43 0.00 0.00 46.19 42.76 1xn3 s LEU 234 CO 0.46 -0.47 -0.05 -0.13 -0.29 0.00 0.00 176.35 175.86 1xn3 s ARG 235 N 2.64 3.48 0.03 1.98 0.52 0.52 -1.83 118.95 126.29 1xn3 s ARG 235 Ca 0.27 -0.54 0.07 0.00 -0.52 0.00 0.00 55.73 55.01 1xn3 s ARG 235 Cb -0.15 -2.83 -0.02 0.00 0.52 0.00 0.00 34.95 32.47 1xn3 s ARG 235 CO 0.11 0.32 -0.21 -0.51 0.02 0.00 0.00 175.30 175.03 1xn3 s LEU 236 N 0.14 2.13 0.39 2.53 1.43 -0.34 -0.34 118.68 124.62 1xn3 s LEU 236 Ca -0.02 -0.49 -0.25 0.00 -1.03 0.00 0.00 54.13 52.34 1xn3 s LEU 236 Cb -0.14 -1.03 -0.11 0.00 0.03 0.00 0.00 46.19 44.94 1xn3 s LEU 236 CO 0.03 0.19 1.07 -2.65 0.23 0.00 0.00 176.35 175.23 1xn3 n PRO 237 N 2.04 1.51 -0.35 1.29 -0.02 -1.26 -0.25 135.00 137.96 1xn3 n PRO 237 Ca -0.17 0.54 0.01 0.00 -2.02 0.00 0.00 63.50 61.86 1xn3 n PRO 237 Cb 0.53 -2.09 0.07 0.00 -0.02 0.00 0.00 33.50 31.99 1xn3 n PRO 237 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1xn3 n LYS 238 N 0.25 -0.17 -0.22 -0.52 4.81 -1.13 -0.19 118.16 120.98 1xn3 n LYS 238 Ca 0.09 1.42 -0.03 0.00 -0.87 0.00 0.00 58.31 58.91 1xn3 n LYS 238 Cb 0.38 -2.10 0.15 0.00 0.02 0.00 0.00 35.03 33.47 1xn3 n LYS 238 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1xn3 h LYS 239 N 0.00 1.02 -0.12 1.64 1.57 -1.93 -0.35 116.57 118.41 1xn3 h LYS 239 Ca 0.36 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.84 1xn3 h LYS 239 Cb 0.58 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1xn3 h LYS 239 CO -0.92 0.83 -0.41 0.28 -0.57 0.00 0.00 179.45 178.66 1xn3 h VAL 240 N 1.00 1.37 -0.28 0.50 2.07 -1.22 -2.51 116.25 117.19 1xn3 h VAL 240 Ca 0.23 -1.72 0.07 0.00 0.82 0.00 0.00 66.70 66.10 1xn3 h VAL 240 Cb 0.19 2.13 -0.07 0.00 -1.52 0.00 0.00 31.29 32.02 1xn3 h VAL 240 CO -0.02 0.52 -0.23 0.15 0.02 0.00 0.00 177.57 178.01 1xn3 h PHE 241 N 0.08 -0.60 -0.36 1.57 3.57 -0.35 0.22 116.94 121.07 1xn3 h PHE 241 Ca -0.02 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1xn3 h PHE 241 Cb 1.04 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 40.05 1xn3 h PHE 241 CO 0.11 -0.30 0.15 0.93 -2.23 0.00 0.00 178.31 176.96 1xn3 h GLU 242 N -0.22 0.30 -0.53 1.11 4.39 -1.05 0.57 114.58 119.17 1xn3 h GLU 242 Ca 0.15 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.75 1xn3 h GLU 242 Cb 0.44 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1xn3 h GLU 242 CO -0.40 0.20 -0.00 0.00 -1.16 0.00 0.00 179.01 177.65 1xn3 h ALA 243 N 1.22 1.00 -0.40 3.43 0.00 -0.94 -1.99 119.26 121.58 1xn3 h ALA 243 Ca 0.16 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1xn3 h ALA 243 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1xn3 h ALA 243 CO -0.15 0.61 -0.01 0.00 0.00 0.00 0.00 179.25 179.71 1xn3 h ALA 244 N 1.16 0.54 -0.75 0.00 0.00 -0.06 -1.88 119.26 118.26 1xn3 h ALA 244 Ca 0.16 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1xn3 h ALA 244 Cb 0.50 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1xn3 h ALA 244 CO 0.02 0.32 0.25 0.28 0.00 0.00 0.00 179.25 180.13 1xn3 h VAL 245 N 0.53 1.26 -0.61 0.00 2.07 -0.77 0.12 116.25 118.86 1xn3 h VAL 245 Ca 0.11 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1xn3 h VAL 245 Cb 0.49 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1xn3 h VAL 245 CO 0.02 0.35 0.35 0.50 0.02 0.00 0.00 177.57 178.81 1xn3 h LYS 246 N 1.11 0.84 -0.19 1.57 3.64 -1.25 0.06 116.57 122.34 1xn3 h LYS 246 Ca 0.24 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1xn3 h LYS 246 Cb 0.29 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1xn3 h LYS 246 CO -0.01 0.62 -0.02 1.03 -2.27 0.00 0.00 179.45 178.81 1xn3 h SER 247 N 0.82 0.35 -0.75 4.20 0.87 -0.85 -0.86 113.55 117.33 1xn3 h SER 247 Ca 0.22 -0.33 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 1xn3 h SER 247 Cb 0.02 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 1xn3 h SER 247 CO -0.04 0.60 0.41 0.40 -0.53 0.00 0.00 176.83 177.67 1xn3 h ILE 248 N 0.10 1.23 -0.52 2.23 2.04 -0.62 -1.41 117.51 120.56 1xn3 h ILE 248 Ca 0.05 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 1xn3 h ILE 248 Cb 0.42 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1xn3 h ILE 248 CO 0.01 0.26 0.24 0.11 0.00 0.00 0.00 178.15 178.77 1xn3 h LYS 249 N 1.06 0.75 -0.84 2.37 1.57 -0.83 -1.71 116.57 118.94 1xn3 h LYS 249 Ca 0.27 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1xn3 h LYS 249 Cb 0.04 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 1xn3 h LYS 249 CO -0.04 0.63 0.47 0.00 -0.57 0.00 0.00 179.45 179.94 1xn3 h ALA 250 N 1.08 1.24 0.00 3.86 0.00 -0.37 -1.99 119.26 123.09 1xn3 h ALA 250 Ca 0.18 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1xn3 h ALA 250 Cb 0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1xn3 h ALA 250 CO -0.02 0.62 -0.53 0.00 0.00 0.00 0.00 179.25 179.32 1xn3 h ALA 251 N 1.34 0.91 -0.44 0.00 0.00 -1.00 -3.24 119.26 116.84 1xn3 h ALA 251 Ca 0.30 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xn3 h ALA 251 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1xn3 h ALA 251 CO -0.05 0.66 0.00 -1.13 0.00 0.00 0.00 179.25 178.73 1xn3 n SER 252 N -3.59 4.35 0.00 0.00 3.41 -0.67 -4.72 113.62 112.39 1xn3 n SER 252 Ca -0.00 -2.70 0.02 0.00 -0.26 0.00 0.00 58.87 55.93 1xn3 n SER 252 Cb 0.60 -0.53 0.08 0.00 -0.26 0.00 0.00 64.21 64.09 1xn3 n SER 252 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xn3 n SER 253 N 0.30 0.00 0.12 4.04 3.41 -0.78 -1.85 113.62 118.86 1xn3 n SER 253 Ca 0.22 0.47 0.11 0.00 -0.26 0.00 0.00 58.87 59.41 1xn3 n SER 253 Cb 0.88 -0.47 0.47 0.00 -0.26 0.00 0.00 64.21 64.83 1xn3 n SER 253 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xn3 n THR 254 N -1.47 0.96 -4.56 6.66 -2.24 -1.26 -4.46 114.28 107.90 1xn3 n THR 254 Ca 0.01 0.38 -0.22 0.00 -2.27 0.00 0.00 64.05 61.95 1xn3 n THR 254 Cb 0.04 -1.31 -0.15 0.00 -2.10 0.00 0.00 70.33 66.81 1xn3 n THR 254 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xn3 s GLU 255 N -3.33 1.09 -0.12 -0.78 2.02 -0.77 -5.14 118.70 111.67 1xn3 s GLU 255 Ca 0.03 -0.44 -0.03 0.00 0.02 0.00 0.00 54.97 54.54 1xn3 s GLU 255 Cb 0.08 -1.03 -0.03 0.00 0.10 0.00 0.00 34.13 33.25 1xn3 s GLU 255 CO 0.31 0.24 0.01 0.15 0.02 0.00 0.00 175.26 175.99 1xn3 s LYS 256 N -0.17 3.29 0.06 1.61 -0.14 -1.26 -4.93 119.74 118.19 1xn3 s LYS 256 Ca 0.03 -0.40 0.07 0.00 -1.36 0.00 0.00 55.97 54.31 1xn3 s LYS 256 Cb -0.06 -2.91 -0.03 0.00 -1.68 0.00 0.00 37.83 33.15 1xn3 s LYS 256 CO -0.00 0.56 -0.20 -0.06 -0.76 0.00 0.00 175.35 174.90 1xn3 s PHE 257 N -0.48 1.70 0.64 3.18 0.40 -1.26 -5.13 117.98 117.03 1xn3 s PHE 257 Ca 0.09 -0.38 -0.18 0.00 -0.60 0.00 0.00 56.93 55.86 1xn3 s PHE 257 Cb -0.12 -0.99 -0.01 0.00 0.51 0.00 0.00 43.02 42.41 1xn3 s PHE 257 CO 0.02 0.11 1.23 -1.25 0.70 0.00 0.00 175.22 176.03 1xn3 s PRO 258 N -1.36 2.67 0.56 0.24 0.04 -1.26 -4.89 135.00 131.00 1xn3 s PRO 258 Ca 0.06 1.87 0.27 0.00 0.04 0.00 0.00 61.00 63.24 1xn3 s PRO 258 Cb -0.09 -1.89 1.48 0.00 0.04 0.00 0.00 34.50 34.05 1xn3 s PRO 258 CO 0.02 -1.45 2.00 -0.44 0.04 0.00 0.00 177.00 177.17 1xn3 h ASP 259 N 0.52 0.00 -0.38 6.66 3.32 -2.00 0.59 116.42 125.14 1xn3 h ASP 259 Ca -0.50 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 1xn3 h ASP 259 Cb 1.31 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 1xn3 h ASP 259 CO 0.53 0.00 0.17 1.23 -1.72 0.00 0.00 179.24 179.45 1xn3 h GLY 260 N 0.00 0.65 0.80 2.75 0.00 -1.95 -1.71 103.07 103.62 1xn3 h GLY 260 Ca 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1xn3 h GLY 260 CO -0.00 0.30 -0.07 -2.75 0.00 0.00 0.00 176.54 174.02 1xn3 h PHE 261 N 0.61 -0.18 0.00 5.60 3.57 -1.04 -0.23 116.94 125.27 1xn3 h PHE 261 Ca 0.15 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1xn3 h PHE 261 Cb 0.13 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 1xn3 h PHE 261 CO 0.01 0.05 -0.03 -1.49 -2.23 0.00 0.00 178.31 174.62 1xn3 h TRP 262 N -0.39 0.00 -0.71 0.41 4.06 -1.43 -0.86 115.95 117.03 1xn3 h TRP 262 Ca -0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.93 1xn3 h TRP 262 Cb 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.47 1xn3 h TRP 262 CO -0.01 0.03 0.00 1.28 -3.56 0.00 0.00 178.44 176.18 1xn3 n LEU 263 N -3.27 3.92 0.00 -4.49 4.77 -0.68 -4.93 117.00 112.31 1xn3 n LEU 263 Ca -0.02 -1.96 0.00 0.00 -0.03 0.00 0.00 56.01 54.00 1xn3 n LEU 263 Cb 0.18 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1xn3 n LEU 263 CO 0.25 0.93 0.00 0.61 -1.33 0.00 0.00 177.39 177.85 1xn3 n GLY 264 N 1.57 0.48 0.06 -0.72 0.00 -0.33 -4.91 105.19 101.35 1xn3 n GLY 264 Ca 0.24 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.38 1xn3 n GLY 264 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xn3 n GLU 265 N -2.02 0.28 -3.97 1.61 4.71 -0.15 -4.86 120.64 116.24 1xn3 n GLU 265 Ca 0.00 0.09 -0.09 0.00 -0.01 0.00 0.00 57.16 57.15 1xn3 n GLU 265 Cb 0.09 -1.68 -0.10 0.00 -1.01 0.00 0.00 31.44 28.73 1xn3 n GLU 265 CO 0.00 0.00 0.00 1.14 0.09 0.00 0.00 177.13 178.36 1xn3 s GLN 266 N -3.15 0.45 0.39 3.49 -2.07 -0.90 -4.96 119.66 112.91 1xn3 s GLN 266 Ca 0.07 -0.70 -0.00 0.00 -1.82 0.00 0.00 55.36 52.90 1xn3 s GLN 266 Cb 0.14 0.17 -0.03 0.00 -1.09 0.00 0.00 33.01 32.20 1xn3 s GLN 266 CO 0.71 -0.09 0.61 -0.48 -1.32 0.00 0.00 175.29 174.72 1xn3 s LEU 267 N -1.84 3.87 0.00 2.60 2.34 -1.26 -4.18 118.68 120.22 1xn3 s LEU 267 Ca -0.10 0.46 0.08 0.00 0.06 0.00 0.00 54.13 54.64 1xn3 s LEU 267 Cb -0.05 -3.34 -0.02 0.00 -0.56 0.00 0.00 46.19 42.22 1xn3 s LEU 267 CO -0.03 -0.43 -0.26 -0.69 -1.06 0.00 0.00 176.35 173.88 1xn3 s VAL 268 N -2.43 2.12 0.07 1.48 1.01 -0.31 -4.93 120.40 117.41 1xn3 s VAL 268 Ca 0.43 -1.21 0.07 0.00 0.00 0.00 0.00 61.98 61.27 1xn3 s VAL 268 Cb -0.10 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1xn3 s VAL 268 CO 0.38 0.50 -0.19 0.00 0.00 0.00 0.00 175.10 175.79 1xn3 s TRP 270 N -0.99 0.91 0.63 0.00 0.51 -0.69 -4.98 118.94 114.33 1xn3 s TRP 270 Ca 0.05 -0.63 -0.18 0.00 -2.12 0.00 0.00 56.10 53.21 1xn3 s TRP 270 Cb -0.09 -0.52 -0.02 0.00 -0.81 0.00 0.00 33.47 32.03 1xn3 s TRP 270 CO 0.03 -0.05 1.23 1.04 -0.51 0.00 0.00 176.95 178.68 1xn3 n GLN 271 N 0.83 1.10 -1.07 4.98 6.02 -1.26 -0.78 117.38 127.19 1xn3 n GLN 271 Ca -0.18 0.43 -0.43 0.00 -0.01 0.00 0.00 57.00 56.80 1xn3 n GLN 271 Cb 0.57 -2.46 -0.07 0.00 1.02 0.00 0.00 30.24 29.30 1xn3 n GLN 271 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xn3 n ALA 272 N -1.83 -0.62 -0.90 -1.58 0.00 -1.26 -0.92 120.51 113.40 1xn3 n ALA 272 Ca 0.15 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1xn3 n ALA 272 Cb 0.48 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1xn3 n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xn3 n GLY 273 N 3.25 0.64 1.42 0.00 0.00 -1.26 -4.89 105.19 104.34 1xn3 n GLY 273 Ca 0.25 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.38 1xn3 n GLY 273 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xn3 n THR 274 N -2.19 1.13 -1.68 2.61 -2.24 -0.10 -4.98 114.28 106.84 1xn3 n THR 274 Ca 0.00 -1.03 -0.54 0.00 -2.27 0.00 0.00 64.05 60.21 1xn3 n THR 274 Cb 0.03 0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 1xn3 n THR 274 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xn3 n THR 275 N 1.61 0.31 -1.50 4.28 -1.04 -1.26 -4.79 114.28 111.89 1xn3 n THR 275 Ca 0.25 -0.05 -0.40 0.00 -2.04 0.00 0.00 64.05 61.81 1xn3 n THR 275 Cb 0.67 -1.35 -0.02 0.00 -1.82 0.00 0.00 70.33 67.82 1xn3 n THR 275 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1xn3 n PRO 276 N 5.11 3.61 -0.28 -2.82 -0.04 -1.26 -4.76 135.00 134.55 1xn3 n PRO 276 Ca 0.24 -2.45 0.10 0.00 -0.04 0.00 0.00 63.50 61.35 1xn3 n PRO 276 Cb 0.19 -2.89 0.26 0.00 -0.04 0.00 0.00 33.50 31.01 1xn3 n PRO 276 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1xn3 h TRP 277 N 5.20 0.39 -0.19 0.54 4.06 -1.96 -1.91 115.95 122.09 1xn3 h TRP 277 Ca 0.78 0.05 0.05 0.00 2.06 0.00 0.00 58.89 61.83 1xn3 h TRP 277 Cb 0.37 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 1xn3 h TRP 277 CO 1.75 -0.13 0.20 -2.95 -3.56 0.00 0.00 178.44 173.75 1xn3 h ASN 278 N 0.28 0.00 1.71 -3.49 7.08 -2.00 -2.07 115.58 117.09 1xn3 h ASN 278 Ca 0.51 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.69 1xn3 h ASN 278 Cb 0.96 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.19 1xn3 h ASN 278 CO -0.58 0.00 -0.19 0.16 -2.08 0.00 0.00 177.43 174.74 1xn3 h ILE 279 N 0.00 0.33 -3.64 6.14 3.07 -1.71 -3.44 117.51 118.26 1xn3 h ILE 279 Ca 0.09 -1.41 -0.51 0.00 1.55 0.00 0.00 64.86 64.58 1xn3 h ILE 279 Cb 0.48 2.11 -0.03 0.00 -0.27 0.00 0.00 36.82 39.11 1xn3 h ILE 279 CO -0.00 0.18 0.15 -0.36 -1.05 0.00 0.00 178.15 177.08 1xn3 s PHE 280 N -3.17 3.63 0.60 0.16 0.08 -0.78 -3.78 117.98 114.72 1xn3 s PHE 280 Ca 0.05 1.45 -0.08 0.00 0.12 0.00 0.00 56.93 58.47 1xn3 s PHE 280 Cb 0.06 -2.67 -0.02 0.00 -0.57 0.00 0.00 43.02 39.83 1xn3 s PHE 280 CO 0.69 0.29 0.95 -1.25 -0.10 0.00 0.00 175.22 175.80 1xn3 s PRO 281 N -2.08 3.26 0.53 0.24 0.04 -1.26 -4.83 135.00 130.89 1xn3 s PRO 281 Ca 0.45 0.37 -0.06 0.00 0.04 0.00 0.00 61.00 61.81 1xn3 s PRO 281 Cb -0.16 -2.19 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 1xn3 s PRO 281 CO 0.21 -0.61 0.83 0.14 0.04 0.00 0.00 177.00 177.61 1xn3 s VAL 282 N -3.07 4.42 -0.08 -0.36 -7.23 -1.26 -4.30 120.40 108.52 1xn3 s VAL 282 Ca 0.54 0.14 0.02 0.00 -1.81 0.00 0.00 61.98 60.86 1xn3 s VAL 282 Cb -0.11 -3.70 0.01 0.00 0.56 0.00 0.00 36.38 33.14 1xn3 s VAL 282 CO 0.49 -0.71 -0.13 -0.63 -0.31 0.00 0.00 175.10 173.81 1xn3 s ILE 283 N -2.85 1.28 -0.10 -0.62 1.01 -0.31 -1.11 121.20 118.49 1xn3 s ILE 283 Ca 0.50 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.63 1xn3 s ILE 283 Cb -0.10 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 1xn3 s ILE 283 CO 0.45 0.39 -0.18 -0.44 0.00 0.00 0.00 174.94 175.16 1xn3 s SER 284 N 0.81 3.60 -0.18 3.58 0.01 -0.63 -0.21 113.70 120.68 1xn3 s SER 284 Ca -0.11 -0.41 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 1xn3 s SER 284 Cb -0.15 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 64.71 1xn3 s SER 284 CO 0.02 0.19 -0.14 -0.76 0.41 0.00 0.00 173.24 172.97 1xn3 s LEU 285 N 0.17 2.49 -0.07 2.44 1.43 0.20 -1.54 118.68 123.81 1xn3 s LEU 285 Ca -0.10 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 52.32 1xn3 s LEU 285 Cb -0.16 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 1xn3 s LEU 285 CO 0.06 0.03 0.48 -0.31 0.23 0.00 0.00 176.35 176.84 1xn3 s TYR 286 N 1.12 3.60 0.11 0.29 1.51 0.19 -1.08 117.35 123.10 1xn3 s TYR 286 Ca 0.01 0.97 0.08 0.00 -1.01 0.00 0.00 57.07 57.12 1xn3 s TYR 286 Cb -0.14 -2.49 -0.04 0.00 -0.11 0.00 0.00 41.96 39.17 1xn3 s TYR 286 CO -0.05 0.33 -0.14 -0.51 -1.11 0.00 0.00 175.55 174.07 1xn3 s LEU 287 N 0.02 2.88 0.36 -1.29 1.43 0.16 -0.47 118.68 121.78 1xn3 s LEU 287 Ca 0.26 -0.48 -0.28 0.00 -1.03 0.00 0.00 54.13 52.60 1xn3 s LEU 287 Cb -0.16 -1.69 -0.11 0.00 0.03 0.00 0.00 46.19 44.26 1xn3 s LEU 287 CO 0.12 0.17 1.42 -0.32 0.23 0.00 0.00 176.35 177.98 1xn3 s MET 288 N -2.22 4.20 0.66 1.70 -2.45 -0.74 -2.29 119.30 118.17 1xn3 s MET 288 Ca 0.20 2.45 0.03 0.00 -1.25 0.00 0.00 55.69 57.11 1xn3 s MET 288 Cb -0.11 -3.01 0.11 0.00 1.25 0.00 0.00 34.83 33.08 1xn3 s MET 288 CO 0.12 -0.41 0.91 0.20 1.05 0.00 0.00 175.02 176.89 1xn3 s GLY 289 N -0.25 1.76 0.17 2.11 0.00 0.12 -4.08 107.32 107.14 1xn3 s GLY 289 Ca 0.52 -1.85 0.10 0.00 0.00 0.00 0.00 44.72 43.48 1xn3 s GLY 289 CO 0.59 -1.33 1.32 0.83 0.00 0.00 0.00 173.10 174.51 1xn3 h GLU 290 N -0.26 0.00 -6.35 2.90 5.08 -1.79 -3.42 114.58 110.74 1xn3 h GLU 290 Ca -0.34 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.47 1xn3 h GLU 290 Cb 1.27 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 1xn3 h GLU 290 CO 0.41 0.84 0.13 0.08 -1.00 0.00 0.00 179.01 179.47 1xn3 s VAL 291 N -2.79 4.62 0.20 3.13 1.01 -1.26 -5.00 120.40 120.31 1xn3 s VAL 291 Ca 0.02 1.58 -0.32 0.00 0.00 0.00 0.00 61.98 63.25 1xn3 s VAL 291 Cb 0.09 -4.08 -0.14 0.00 0.00 0.00 0.00 36.38 32.24 1xn3 s VAL 291 CO 0.80 0.45 1.32 0.41 0.00 0.00 0.00 175.10 178.07 1xn3 n THR 292 N 2.25 0.82 -1.95 3.92 -1.04 -1.26 -1.05 114.28 115.96 1xn3 n THR 292 Ca -0.05 -0.20 -0.18 0.00 -2.04 0.00 0.00 64.05 61.57 1xn3 n THR 292 Cb 0.50 -1.20 -0.04 0.00 -1.82 0.00 0.00 70.33 67.77 1xn3 n THR 292 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1xn3 n ASN 293 N 2.20 -5.28 -4.19 8.00 3.02 -1.26 -4.99 115.26 112.77 1xn3 n ASN 293 Ca 0.14 0.21 -0.26 0.00 -0.03 0.00 0.00 54.58 54.63 1xn3 n ASN 293 Cb 0.28 -4.37 -0.16 0.00 -0.61 0.00 0.00 39.78 34.92 1xn3 n ASN 293 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1xn3 s GLN 294 N -4.26 1.65 0.17 3.52 0.74 -0.22 -1.62 119.66 119.65 1xn3 s GLN 294 Ca 0.00 -0.69 -0.01 0.00 0.05 0.00 0.00 55.36 54.72 1xn3 s GLN 294 Cb 0.00 -1.55 -0.04 0.00 1.10 0.00 0.00 33.01 32.51 1xn3 s GLN 294 CO 0.00 0.38 0.09 -1.54 -0.55 0.00 0.00 175.29 173.67 1xn3 s SER 295 N -0.35 0.35 0.17 6.67 1.04 -0.47 0.14 113.70 121.25 1xn3 s SER 295 Ca 0.05 -1.30 -0.01 0.00 0.48 0.00 0.00 55.95 55.17 1xn3 s SER 295 Cb -0.08 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 1xn3 s SER 295 CO -0.00 -0.77 0.10 0.72 0.98 0.00 0.00 173.24 174.27 1xn3 s PHE 296 N -4.06 1.04 0.12 5.02 -0.12 -0.97 0.21 117.98 119.22 1xn3 s PHE 296 Ca 0.32 -1.32 0.05 0.00 -0.05 0.00 0.00 56.93 55.93 1xn3 s PHE 296 Cb 0.07 -0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 41.90 1xn3 s PHE 296 CO 0.07 -0.59 -0.13 -0.98 -0.05 0.00 0.00 175.22 173.54 1xn3 s ARG 297 N -4.12 0.98 -0.06 1.99 1.70 0.16 -0.66 118.95 118.94 1xn3 s ARG 297 Ca 0.33 -1.21 0.06 0.00 -0.47 0.00 0.00 55.73 54.44 1xn3 s ARG 297 Cb 0.07 -0.81 -0.01 0.00 -0.57 0.00 0.00 34.95 33.62 1xn3 s ARG 297 CO 0.08 0.15 -0.24 0.96 -1.08 0.00 0.00 175.30 175.17 1xn3 s ILE 298 N -2.19 2.13 -0.11 4.99 -4.36 -0.24 -1.53 121.20 119.89 1xn3 s ILE 298 Ca 0.08 -1.04 0.03 0.00 -0.26 0.00 0.00 60.65 59.45 1xn3 s ILE 298 Cb -0.04 -1.77 0.01 0.00 1.25 0.00 0.00 42.46 41.90 1xn3 s ILE 298 CO 0.02 0.57 -0.20 -0.89 0.24 0.00 0.00 174.94 174.68 1xn3 s THR 299 N -0.22 1.86 0.25 8.37 2.01 -0.04 -0.63 115.64 127.24 1xn3 s THR 299 Ca -0.02 -0.88 0.09 0.00 0.31 0.00 0.00 61.69 61.20 1xn3 s THR 299 Cb -0.13 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 1xn3 s THR 299 CO 0.03 0.51 0.00 0.27 -0.69 0.00 0.00 174.62 174.75 1xn3 s ILE 300 N 0.68 3.53 0.39 1.82 -4.36 0.71 -2.00 121.20 121.97 1xn3 s ILE 300 Ca -0.12 -1.81 0.08 0.00 -0.26 0.00 0.00 60.65 58.54 1xn3 s ILE 300 Cb -0.16 -2.87 -0.02 0.00 1.25 0.00 0.00 42.46 40.66 1xn3 s ILE 300 CO 0.02 -0.32 0.35 -0.76 0.24 0.00 0.00 174.94 174.47 1xn3 s LEU 301 N -3.54 3.47 0.62 0.37 1.43 -1.26 -1.17 118.68 118.60 1xn3 s LEU 301 Ca 0.31 -0.65 0.40 0.00 -1.03 0.00 0.00 54.13 53.16 1xn3 s LEU 301 Cb -0.07 -2.13 1.99 0.00 0.03 0.00 0.00 46.19 46.01 1xn3 s LEU 301 CO 0.20 -0.55 2.22 1.55 0.23 0.00 0.00 176.35 180.00 1xn3 h PRO 302 N 1.10 0.00 0.00 1.29 0.13 -1.88 0.45 132.00 133.08 1xn3 h PRO 302 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1xn3 h PRO 302 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1xn3 h PRO 302 CO 0.57 0.01 0.00 1.96 -0.23 0.00 0.00 178.00 180.31 1xn3 h GLN 303 N 0.00 0.00 0.03 0.86 7.50 -1.86 0.14 115.11 121.78 1xn3 h GLN 303 Ca -0.00 0.00 -0.35 0.00 0.50 0.00 0.00 58.65 58.80 1xn3 h GLN 303 Cb 0.20 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.69 1xn3 h GLN 303 CO 0.00 0.00 -1.93 1.04 -1.50 0.00 0.00 178.83 176.44 1xn3 n GLN 304 N -2.89 0.63 0.00 1.46 3.00 0.11 -4.56 117.38 115.14 1xn3 n GLN 304 Ca -0.01 0.36 0.14 0.00 -0.01 0.00 0.00 57.00 57.49 1xn3 n GLN 304 Cb 0.19 -1.64 0.58 0.00 0.00 0.00 0.00 30.24 29.37 1xn3 n GLN 304 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 1xn3 n TYR 305 N -3.99 0.00 -3.62 1.08 0.18 -0.99 -4.49 117.16 105.33 1xn3 n TYR 305 Ca -0.40 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 58.98 1xn3 n TYR 305 Cb 0.87 -0.16 -0.11 0.00 -0.38 0.00 0.00 39.34 39.56 1xn3 n TYR 305 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1xn3 s LEU 306 N -2.45 4.93 -0.18 -3.48 1.43 0.47 0.54 118.68 119.94 1xn3 s LEU 306 Ca 0.29 -1.31 -0.26 0.00 -1.03 0.00 0.00 54.13 51.83 1xn3 s LEU 306 Cb 0.20 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 1xn3 s LEU 306 CO 0.47 -0.47 0.86 -0.60 0.23 0.00 0.00 176.35 176.84 1xn3 s ARG 307 N 1.46 4.29 0.32 1.70 3.52 0.38 -4.77 118.95 125.84 1xn3 s ARG 307 Ca 0.02 1.05 -0.29 0.00 -0.13 0.00 0.00 55.73 56.39 1xn3 s ARG 307 Cb -0.21 -3.59 -0.10 0.00 -1.56 0.00 0.00 34.95 29.49 1xn3 s ARG 307 CO 0.04 -0.37 1.33 -2.14 -0.81 0.00 0.00 175.30 173.34 1xn3 s PRO 308 N 2.31 4.34 0.03 5.12 0.02 -1.26 -1.14 135.00 144.41 1xn3 s PRO 308 Ca 0.39 2.23 -0.06 0.00 0.02 0.00 0.00 61.00 63.58 1xn3 s PRO 308 Cb -0.16 -3.08 -0.01 0.00 0.02 0.00 0.00 34.50 31.27 1xn3 s PRO 308 CO 0.12 -0.23 0.11 0.14 -0.33 0.00 0.00 177.00 176.81 1xn3 s VAL 309 N -0.97 0.12 0.17 3.83 -7.23 -0.93 -4.67 120.40 110.72 1xn3 s VAL 309 Ca 0.50 -0.99 -0.23 0.00 -1.81 0.00 0.00 61.98 59.46 1xn3 s VAL 309 Cb -0.40 -0.77 -0.08 0.00 0.56 0.00 0.00 36.38 35.69 1xn3 s VAL 309 CO 0.52 -0.54 0.73 -0.70 -0.31 0.00 0.00 175.10 174.79 1xn3 s GLU 310 N -2.30 4.42 -0.03 4.82 2.56 -1.26 -4.06 118.70 122.85 1xn3 s GLU 310 Ca -0.07 1.01 -0.29 0.00 0.00 0.00 0.00 54.97 55.62 1xn3 s GLU 310 Cb -0.03 -3.14 -0.03 0.00 2.00 0.00 0.00 34.13 32.93 1xn3 s GLU 310 CO -0.03 0.53 0.96 0.34 -0.56 0.00 0.00 175.26 176.50 1xn3 s ASP 311 N -1.29 7.30 0.00 -1.70 2.15 -1.26 -5.01 116.67 116.86 1xn3 s ASP 311 Ca 0.37 1.58 0.00 0.00 0.43 0.00 0.00 52.55 54.93 1xn3 s ASP 311 Cb -0.21 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 1xn3 s ASP 311 CO 0.24 -0.29 0.74 1.33 -0.17 0.00 0.00 175.17 177.02 1xn3 n VAL 312 N 4.03 0.00 -0.62 1.11 0.24 -1.26 -4.75 118.33 117.08 1xn3 n VAL 312 Ca 0.06 1.24 -0.31 0.00 -2.04 0.00 0.00 64.34 63.28 1xn3 n VAL 312 Cb 0.51 -2.02 0.19 0.00 -1.47 0.00 0.00 33.84 31.05 1xn3 n VAL 312 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xn3 n ALA 313 N -1.53 -3.94 -1.74 2.33 0.00 -1.26 -4.80 120.51 109.58 1xn3 n ALA 313 Ca 0.00 -1.31 -0.42 0.00 0.00 0.00 0.00 53.44 51.71 1xn3 n ALA 313 Cb 0.00 -1.56 -0.03 0.00 0.00 0.00 0.00 19.45 17.86 1xn3 n ALA 313 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xn3 s THR 314 N -2.25 2.98 -0.25 0.00 2.01 -1.26 -4.93 115.64 111.94 1xn3 s THR 314 Ca 0.57 0.14 -0.26 0.00 0.31 0.00 0.00 61.69 62.45 1xn3 s THR 314 Cb -0.13 -3.09 0.10 0.00 0.01 0.00 0.00 72.50 69.38 1xn3 s THR 314 CO 0.65 -0.01 0.87 -0.55 -0.69 0.00 0.00 174.62 174.89 1xn3 s SER 315 N 3.82 -0.59 0.11 3.53 0.15 -1.26 -4.97 113.70 114.49 1xn3 s SER 315 Ca 0.84 1.07 0.23 0.00 0.70 0.00 0.00 55.95 58.79 1xn3 s SER 315 Cb -0.42 1.07 0.07 0.00 -1.71 0.00 0.00 66.02 65.02 1xn3 s SER 315 CO 0.38 -0.24 1.05 0.00 1.20 0.00 0.00 173.24 175.64 1xn3 n GLN 316 N 2.22 0.43 -1.45 5.44 1.13 -1.26 -4.94 117.38 118.95 1xn3 n GLN 316 Ca -0.13 0.04 -0.51 0.00 -1.94 0.00 0.00 57.00 54.46 1xn3 n GLN 316 Cb 0.56 -1.69 -0.04 0.00 0.11 0.00 0.00 30.24 29.18 1xn3 n GLN 316 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xn3 n ASP 317 N -2.27 -0.63 -4.54 1.08 9.92 -1.26 -4.07 116.55 114.78 1xn3 n ASP 317 Ca 0.01 1.14 -0.41 0.00 -0.53 0.00 0.00 54.79 55.00 1xn3 n ASP 317 Cb 0.49 -0.98 -0.09 0.00 -0.64 0.00 0.00 41.12 39.90 1xn3 n ASP 317 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1xn3 s ASP 318 N -0.66 6.23 0.22 -2.24 -0.00 0.04 -4.72 116.67 115.52 1xn3 s ASP 318 Ca 0.71 -0.21 0.10 0.00 -0.00 0.00 0.00 52.55 53.15 1xn3 s ASP 318 Cb -1.00 -2.23 -0.04 0.00 -0.00 0.00 0.00 42.92 39.66 1xn3 s ASP 318 CO 0.56 -0.42 -0.11 0.00 -0.00 0.00 0.00 175.17 175.21 1xn3 s TYR 320 N -1.96 -0.16 0.09 0.00 1.51 -0.28 -2.19 117.35 114.36 1xn3 s TYR 320 Ca 0.27 -0.17 0.08 0.00 -1.01 0.00 0.00 57.07 56.23 1xn3 s TYR 320 Cb -0.08 0.24 -0.04 0.00 -0.11 0.00 0.00 41.96 41.97 1xn3 s TYR 320 CO 0.16 -0.71 -0.18 0.15 -1.11 0.00 0.00 175.55 173.86 1xn3 s LYS 321 N -3.82 1.90 -0.21 -0.62 1.02 -0.29 -1.16 119.74 116.55 1xn3 s LYS 321 Ca 0.04 -1.10 -0.29 0.00 0.02 0.00 0.00 55.97 54.63 1xn3 s LYS 321 Cb 0.02 -2.15 -0.01 0.00 -0.52 0.00 0.00 37.83 35.17 1xn3 s LYS 321 CO -0.11 0.50 1.31 0.12 -0.92 0.00 0.00 175.35 176.25 1xn3 s PHE 322 N -1.07 2.72 -0.53 3.18 5.36 -1.26 -0.47 117.98 125.91 1xn3 s PHE 322 Ca 0.17 0.91 0.01 0.00 -0.96 0.00 0.00 56.93 57.05 1xn3 s PHE 322 Cb -0.11 -3.69 0.52 0.00 -0.34 0.00 0.00 43.02 39.41 1xn3 s PHE 322 CO 0.08 -1.84 1.95 0.00 -1.46 0.00 0.00 175.22 173.96 1xn3 n ALA 323 N 7.09 5.83 -3.44 11.12 0.00 0.19 -4.54 120.51 136.76 1xn3 n ALA 323 Ca 0.15 -3.01 -0.29 0.00 0.00 0.00 0.00 53.44 50.29 1xn3 n ALA 323 Cb 0.45 -1.58 -0.17 0.00 0.00 0.00 0.00 19.45 18.15 1xn3 n ALA 323 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xn3 s ILE 324 N -3.84 1.69 0.18 0.00 1.01 -1.26 -1.65 121.20 117.33 1xn3 s ILE 324 Ca 0.57 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 1xn3 s ILE 324 Cb 0.47 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 41.42 1xn3 s ILE 324 CO 0.05 0.48 0.22 -0.94 0.00 0.00 0.00 174.94 174.74 1xn3 s SER 325 N 0.63 0.11 0.38 3.58 1.04 -0.76 -4.77 113.70 113.91 1xn3 s SER 325 Ca -0.14 -1.12 -0.19 0.00 0.48 0.00 0.00 55.95 54.99 1xn3 s SER 325 Cb -0.16 0.41 -0.10 0.00 0.10 0.00 0.00 66.02 66.27 1xn3 s SER 325 CO 0.04 -0.88 0.86 0.00 0.98 0.00 0.00 173.24 174.24 1xn3 s GLN 326 N -4.05 4.14 0.12 4.02 -2.07 -1.26 -1.20 119.66 119.35 1xn3 s GLN 326 Ca 0.26 0.94 0.08 0.00 -1.82 0.00 0.00 55.36 54.82 1xn3 s GLN 326 Cb 0.05 -2.29 -0.04 0.00 -1.09 0.00 0.00 33.01 29.64 1xn3 s GLN 326 CO 0.06 0.05 -0.19 0.45 -1.32 0.00 0.00 175.29 174.34 1xn3 s SER 327 N -2.21 2.39 0.00 12.60 0.15 0.65 -4.74 113.70 122.55 1xn3 s SER 327 Ca 0.59 -0.73 0.06 0.00 0.70 0.00 0.00 55.95 56.56 1xn3 s SER 327 Cb -0.10 -0.12 0.14 0.00 -1.71 0.00 0.00 66.02 64.23 1xn3 s SER 327 CO 0.15 -0.01 1.02 -1.54 1.20 0.00 0.00 173.24 174.07 1xn3 n SER 328 N 0.85 2.25 -1.19 5.45 3.41 -1.26 -2.86 113.62 120.27 1xn3 n SER 328 Ca -0.18 -1.81 -0.02 0.00 -0.26 0.00 0.00 58.87 56.60 1xn3 n SER 328 Cb 0.55 -0.09 0.13 0.00 -0.26 0.00 0.00 64.21 64.53 1xn3 n SER 328 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xn3 n THR 329 N 0.13 1.98 -1.86 6.66 -2.24 -1.26 -5.05 114.28 112.64 1xn3 n THR 329 Ca 0.06 -3.22 0.00 0.00 -2.27 0.00 0.00 64.05 58.62 1xn3 n THR 329 Cb 0.30 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 1xn3 n THR 329 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xn3 n GLY 330 N -0.79 -2.07 3.79 3.38 0.00 -1.21 -4.49 105.19 103.79 1xn3 n GLY 330 Ca 0.23 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 1xn3 n GLY 330 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xn3 s THR 331 N -0.12 4.49 -0.18 2.61 2.01 0.12 -4.12 115.64 120.45 1xn3 s THR 331 Ca 0.00 1.56 -0.00 0.00 0.31 0.00 0.00 61.69 63.56 1xn3 s THR 331 Cb 0.00 -4.07 0.04 0.00 0.01 0.00 0.00 72.50 68.48 1xn3 s THR 331 CO 0.00 0.53 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.70 1xn3 s VAL 332 N -1.10 1.26 -0.88 3.82 1.01 0.54 -1.36 120.40 123.69 1xn3 s VAL 332 Ca 0.34 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 1xn3 s VAL 332 Cb -0.22 -1.41 0.11 0.00 0.00 0.00 0.00 36.38 34.86 1xn3 s VAL 332 CO 0.24 0.14 1.13 -0.04 0.00 0.00 0.00 175.10 176.57 1xn3 s MET 333 N 1.57 3.49 0.00 2.72 -1.94 0.05 -0.35 119.30 124.84 1xn3 s MET 333 Ca 0.00 -1.49 0.00 0.00 -1.71 0.00 0.00 55.69 52.49 1xn3 s MET 333 Cb -0.16 -4.81 0.00 0.00 2.01 0.00 0.00 34.83 31.87 1xn3 s MET 333 CO -0.08 -1.83 0.00 0.41 -0.01 0.00 0.00 175.02 173.51 1xn3 n GLY 334 N 5.61 -0.36 0.40 -0.03 0.00 -0.87 -0.92 105.19 109.02 1xn3 n GLY 334 Ca 0.19 -1.78 0.20 0.00 0.00 0.00 0.00 46.02 44.62 1xn3 n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xn3 h ALA 335 N -1.39 2.15 -0.64 4.61 0.00 -0.28 0.54 119.26 124.25 1xn3 h ALA 335 Ca 0.00 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1xn3 h ALA 335 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1xn3 h ALA 335 CO 0.00 -0.49 0.42 0.28 0.00 0.00 0.00 179.25 179.46 1xn3 h VAL 336 N 0.45 1.06 0.16 0.00 2.07 -1.32 0.83 116.25 119.52 1xn3 h VAL 336 Ca 0.54 -0.25 -0.30 0.00 0.82 0.00 0.00 66.70 67.51 1xn3 h VAL 336 Cb 1.28 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1xn3 h VAL 336 CO -0.25 0.13 -1.49 0.40 0.02 0.00 0.00 177.57 176.38 1xn3 h ILE 337 N 0.72 1.07 0.00 4.57 1.08 -1.22 -3.34 117.51 120.39 1xn3 h ILE 337 Ca 0.26 -2.49 -0.02 0.00 -0.39 0.00 0.00 64.86 62.22 1xn3 h ILE 337 Cb 0.13 2.82 -0.00 0.00 -3.07 0.00 0.00 36.82 36.70 1xn3 h ILE 337 CO -0.07 0.78 -0.09 0.24 -0.69 0.00 0.00 178.15 178.31 1xn3 h MET 338 N -0.11 0.00 0.00 2.37 2.86 -0.74 -1.54 114.93 117.77 1xn3 h MET 338 Ca -0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1xn3 h MET 338 Cb 1.92 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.58 1xn3 h MET 338 CO 0.14 0.09 0.00 0.39 1.06 0.00 0.00 176.91 178.59 1xn3 n GLU 339 N -3.66 0.14 0.05 1.72 1.02 0.24 -2.00 120.64 118.15 1xn3 n GLU 339 Ca -0.02 0.46 0.11 0.00 -0.02 0.00 0.00 57.16 57.69 1xn3 n GLU 339 Cb 0.20 -1.82 0.03 0.00 -0.02 0.00 0.00 31.44 29.83 1xn3 n GLU 339 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xn3 n GLY 340 N -0.41 -1.28 3.23 0.62 0.00 -0.58 -4.14 105.19 102.63 1xn3 n GLY 340 Ca 0.01 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 1xn3 n GLY 340 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xn3 s PHE 341 N -3.25 1.15 -0.21 1.61 0.40 -0.84 -1.39 117.98 115.44 1xn3 s PHE 341 Ca 0.02 -0.95 -0.16 0.00 -0.60 0.00 0.00 56.93 55.24 1xn3 s PHE 341 Cb 0.13 -0.65 -0.04 0.00 0.51 0.00 0.00 43.02 42.98 1xn3 s PHE 341 CO 0.79 -0.15 0.41 -0.47 0.70 0.00 0.00 175.22 176.50 1xn3 s TYR 342 N -3.59 3.35 -0.19 0.36 5.04 0.11 -4.49 117.35 117.93 1xn3 s TYR 342 Ca 0.20 0.61 -0.02 0.00 -2.44 0.00 0.00 57.07 55.42 1xn3 s TYR 342 Cb 0.05 -2.55 -0.00 0.00 0.35 0.00 0.00 41.96 39.81 1xn3 s TYR 342 CO 0.01 -0.05 -0.10 0.08 -1.34 0.00 0.00 175.55 174.15 1xn3 s VAL 343 N 1.46 2.98 -0.31 3.14 1.01 -0.00 -1.83 120.40 126.85 1xn3 s VAL 343 Ca 0.19 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 1xn3 s VAL 343 Cb -0.15 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1xn3 s VAL 343 CO 0.08 0.47 0.20 -0.69 0.00 0.00 0.00 175.10 175.16 1xn3 s VAL 344 N 1.19 5.05 -1.11 2.92 1.01 0.89 -0.59 120.40 129.75 1xn3 s VAL 344 Ca 0.02 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 1xn3 s VAL 344 Cb -0.14 -3.53 0.21 0.00 0.00 0.00 0.00 36.38 32.92 1xn3 s VAL 344 CO -0.04 0.09 1.22 -0.36 0.00 0.00 0.00 175.10 176.02 1xn3 s PHE 345 N 1.70 3.80 -1.32 5.22 0.08 0.65 0.06 117.98 128.16 1xn3 s PHE 345 Ca 0.06 -2.28 -0.16 0.00 0.12 0.00 0.00 56.93 54.67 1xn3 s PHE 345 Cb -0.17 -4.08 0.09 0.00 -0.57 0.00 0.00 43.02 38.28 1xn3 s PHE 345 CO 0.09 -1.19 1.80 -3.47 -0.10 0.00 0.00 175.22 172.34 1xn3 n ASP 346 N 4.42 4.79 -0.37 1.36 -0.08 -0.38 -2.76 116.55 123.53 1xn3 n ASP 346 Ca 0.28 -2.92 -0.00 0.00 -1.51 0.00 0.00 54.79 50.64 1xn3 n ASP 346 Cb 0.42 -1.69 0.14 0.00 2.34 0.00 0.00 41.12 42.33 1xn3 n ASP 346 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1xn3 h ARG 347 N 7.10 1.24 -0.67 -0.67 3.08 -1.75 -0.94 114.38 121.77 1xn3 h ARG 347 Ca 0.45 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.46 1xn3 h ARG 347 Cb 0.81 -0.28 -0.05 0.00 0.08 0.00 0.00 29.97 30.54 1xn3 h ARG 347 CO 1.52 0.82 0.41 0.00 -1.07 0.00 0.00 179.97 181.65 1xn3 h ALA 348 N 1.41 0.88 -0.59 0.04 0.00 -1.53 -1.86 119.26 117.60 1xn3 h ALA 348 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1xn3 h ALA 348 Cb -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1xn3 h ALA 348 CO -0.11 0.15 0.00 0.54 0.00 0.00 0.00 179.25 179.82 1xn3 n ARG 349 N -4.71 3.98 -4.04 0.00 1.74 -0.99 -4.96 116.66 107.68 1xn3 n ARG 349 Ca 0.07 -2.79 -0.35 0.00 -0.77 0.00 0.00 57.85 54.01 1xn3 n ARG 349 Cb 0.11 -2.00 -0.02 0.00 -1.02 0.00 0.00 32.46 29.53 1xn3 n ARG 349 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1xn3 n LYS 350 N 0.89 -1.34 -3.62 5.56 4.81 -0.43 -4.94 118.16 119.09 1xn3 n LYS 350 Ca 0.25 0.23 -0.12 0.00 -0.87 0.00 0.00 58.31 57.80 1xn3 n LYS 350 Cb 0.96 -3.57 -0.05 0.00 0.02 0.00 0.00 35.03 32.38 1xn3 n LYS 350 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1xn3 s ARG 351 N -6.94 1.04 -0.13 1.64 1.70 -0.74 -1.69 118.95 113.82 1xn3 s ARG 351 Ca 0.25 -0.55 0.02 0.00 -0.47 0.00 0.00 55.73 54.98 1xn3 s ARG 351 Cb -0.12 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.72 1xn3 s ARG 351 CO 0.94 -0.39 -0.21 0.42 -1.08 0.00 0.00 175.30 174.98 1xn3 s ILE 352 N -3.29 2.28 -0.01 4.99 1.01 0.76 -1.25 121.20 125.69 1xn3 s ILE 352 Ca -0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 1xn3 s ILE 352 Cb 0.01 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1xn3 s ILE 352 CO -0.08 0.54 0.12 -0.83 0.00 0.00 0.00 174.94 174.69 1xn3 s GLY 353 N 0.59 2.08 -0.04 6.18 0.00 0.11 -0.52 107.32 115.73 1xn3 s GLY 353 Ca -0.12 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 43.82 1xn3 s GLY 353 CO 0.03 -0.70 -0.14 -1.36 0.00 0.00 0.00 173.10 170.93 1xn3 s PHE 354 N -1.24 1.42 0.02 1.90 0.40 0.36 -0.08 117.98 120.75 1xn3 s PHE 354 Ca 0.24 -0.40 -0.06 0.00 -0.60 0.00 0.00 56.93 56.12 1xn3 s PHE 354 Cb -0.12 -0.98 -0.01 0.00 0.51 0.00 0.00 43.02 42.43 1xn3 s PHE 354 CO 0.16 -0.15 0.10 0.00 0.70 0.00 0.00 175.22 176.03 1xn3 s ALA 355 N 0.13 -0.18 0.16 5.36 0.00 -0.76 -1.35 121.76 125.12 1xn3 s ALA 355 Ca -0.04 -0.34 -0.33 0.00 0.00 0.00 0.00 51.96 51.25 1xn3 s ALA 355 Cb -0.11 0.17 -0.13 0.00 0.00 0.00 0.00 23.12 23.05 1xn3 s ALA 355 CO 0.02 -0.24 1.67 0.28 0.00 0.00 0.00 175.76 177.49 1xn3 n VAL 356 N 1.21 0.06 -2.51 0.00 0.31 -1.25 0.06 118.33 116.21 1xn3 n VAL 356 Ca -0.22 -0.01 -0.41 0.00 -0.01 0.00 0.00 64.34 63.69 1xn3 n VAL 356 Cb 0.57 -1.78 -0.04 0.00 -0.91 0.00 0.00 33.84 31.67 1xn3 n VAL 356 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1xn3 s SER 357 N 1.33 7.23 0.00 4.52 0.15 -0.49 -1.97 113.70 124.48 1xn3 s SER 357 Ca 0.78 2.03 0.09 0.00 0.70 0.00 0.00 55.95 59.55 1xn3 s SER 357 Cb -0.59 -2.59 0.46 0.00 -1.71 0.00 0.00 66.02 61.58 1xn3 s SER 357 CO 0.36 -0.28 1.15 0.00 1.20 0.00 0.00 173.24 175.66 1xn3 n ALA 358 N 2.90 1.61 -0.98 5.45 0.00 -0.00 -2.16 120.51 127.33 1xn3 n ALA 358 Ca 0.05 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.50 1xn3 n ALA 358 Cb 0.47 -1.14 0.08 0.00 0.00 0.00 0.00 19.45 18.85 1xn3 n ALA 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xn3 s HIS 360 N -1.80 2.86 0.00 0.00 -0.00 -0.92 -4.57 115.29 110.87 1xn3 s HIS 360 Ca 0.18 1.54 -0.22 0.00 -0.00 0.00 0.00 55.06 56.56 1xn3 s HIS 360 Cb 0.15 -3.10 -0.05 0.00 -0.00 0.00 0.00 32.58 29.58 1xn3 s HIS 360 CO 0.02 -1.24 0.65 0.08 -0.00 0.00 0.00 174.74 174.25 1xn3 s VAL 361 N -2.19 4.87 0.11 -5.38 1.01 -1.26 -5.04 120.40 112.52 1xn3 s VAL 361 Ca 0.67 1.36 -0.03 0.00 0.00 0.00 0.00 61.98 63.97 1xn3 s VAL 361 Cb -0.18 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1xn3 s VAL 361 CO 0.32 0.39 0.20 0.00 0.00 0.00 0.00 175.10 176.01 1xn3 n HIS 362 N 2.83 -1.17 -4.30 5.22 -0.00 -1.26 -4.69 115.22 111.85 1xn3 n HIS 362 Ca -0.05 -0.61 -0.15 0.00 -0.00 0.00 0.00 57.72 56.91 1xn3 n HIS 362 Cb 0.51 0.24 -0.04 0.00 -0.00 0.00 0.00 29.99 30.70 1xn3 n HIS 362 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1xn3 n ASP 363 N -1.46 1.51 0.13 4.39 5.68 -1.18 -5.04 116.55 120.59 1xn3 n ASP 363 Ca -0.02 -2.18 0.13 0.00 -0.50 0.00 0.00 54.79 52.22 1xn3 n ASP 363 Cb 0.18 0.46 0.47 0.00 -1.14 0.00 0.00 41.12 41.10 1xn3 n ASP 363 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1xn3 h GLU 364 N 0.00 0.00 0.00 0.11 4.81 -2.06 -3.28 114.58 114.16 1xn3 h GLU 364 Ca -0.18 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.00 1xn3 h GLU 364 Cb 0.66 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1xn3 h GLU 364 CO 0.30 0.00 -1.72 1.19 -0.73 0.00 0.00 179.01 178.05 1xn3 n PHE 365 N -2.32 0.34 -3.85 0.92 3.01 -1.26 -4.99 117.46 109.31 1xn3 n PHE 365 Ca 0.03 0.10 -0.11 0.00 1.01 0.00 0.00 57.45 58.48 1xn3 n PHE 365 Cb 0.30 -0.72 -0.09 0.00 -0.01 0.00 0.00 39.48 38.96 1xn3 n PHE 365 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1xn3 s ARG 366 N -3.34 0.57 0.12 -1.08 0.52 -1.24 -5.17 118.95 109.33 1xn3 s ARG 366 Ca -0.06 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 54.71 1xn3 s ARG 366 Cb 0.12 0.24 -0.04 0.00 0.52 0.00 0.00 34.95 35.79 1xn3 s ARG 366 CO 0.86 -0.15 0.01 0.95 0.02 0.00 0.00 175.30 176.99 1xn3 s THR 367 N -1.73 0.34 0.95 0.02 -4.23 -1.26 -3.09 115.64 106.63 1xn3 s THR 367 Ca -0.12 -1.91 -0.11 0.00 -1.18 0.00 0.00 61.69 58.37 1xn3 s THR 367 Cb -0.05 -1.90 0.16 0.00 1.34 0.00 0.00 72.50 72.05 1xn3 s THR 367 CO 0.00 -0.64 1.09 0.00 -0.54 0.00 0.00 174.62 174.53 1xn3 s ALA 368 N -3.87 1.17 0.07 3.99 0.00 -1.26 -4.91 121.76 116.95 1xn3 s ALA 368 Ca 0.19 0.10 -0.14 0.00 0.00 0.00 0.00 51.96 52.11 1xn3 s ALA 368 Cb 0.07 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.94 1xn3 s ALA 368 CO -0.01 -2.71 0.33 0.00 0.00 0.00 0.00 175.76 173.37 1xn3 s ALA 369 N -2.77 -0.72 -0.18 0.00 0.00 -0.85 -4.96 121.76 112.28 1xn3 s ALA 369 Ca 0.65 -0.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.52 1xn3 s ALA 369 Cb -0.20 0.44 0.06 0.00 0.00 0.00 0.00 23.12 23.41 1xn3 s ALA 369 CO 0.59 -0.49 0.05 0.08 0.00 0.00 0.00 175.76 175.99 1xn3 s VAL 370 N -3.03 0.30 0.02 0.00 1.01 -1.26 -0.86 120.40 116.58 1xn3 s VAL 370 Ca -0.02 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1xn3 s VAL 370 Cb 0.01 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 1xn3 s VAL 370 CO -0.06 -0.20 -0.11 -1.61 0.00 0.00 0.00 175.10 173.11 1xn3 s GLU 371 N 1.96 0.80 0.16 2.72 2.02 -0.58 -4.87 118.70 120.91 1xn3 s GLU 371 Ca 0.00 -0.62 -0.23 0.00 0.02 0.00 0.00 54.97 54.14 1xn3 s GLU 371 Cb -0.16 -0.77 0.08 0.00 0.10 0.00 0.00 34.13 33.38 1xn3 s GLU 371 CO -0.08 0.19 1.04 0.20 0.02 0.00 0.00 175.26 176.63 1xn3 s GLY 372 N -0.91 -0.00 0.39 -1.39 0.00 -1.26 -0.67 107.32 103.48 1xn3 s GLY 372 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 44.72 44.64 1xn3 s GLY 372 CO 0.01 1.83 0.52 2.56 0.00 0.00 0.00 173.10 178.02 1xn3 s PRO 373 N -2.43 2.90 -0.05 2.90 0.04 -1.26 -5.09 135.00 132.01 1xn3 s PRO 373 Ca 0.19 -1.18 0.03 0.00 0.04 0.00 0.00 61.00 60.08 1xn3 s PRO 373 Cb -0.02 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.77 1xn3 s PRO 373 CO 0.04 -0.15 -0.14 -0.06 0.04 0.00 0.00 177.00 176.72 1xn3 s PHE 374 N -2.30 1.53 -0.28 0.56 0.40 0.13 -4.94 117.98 113.08 1xn3 s PHE 374 Ca 0.51 -0.49 -0.29 0.00 -0.60 0.00 0.00 56.93 56.06 1xn3 s PHE 374 Cb -0.09 -1.07 -0.01 0.00 0.51 0.00 0.00 43.02 42.35 1xn3 s PHE 374 CO 0.32 -0.21 1.53 0.08 0.70 0.00 0.00 175.22 177.64 1xn3 s VAL 375 N 0.33 3.81 -0.03 -0.44 1.01 -1.26 -1.37 120.40 122.45 1xn3 s VAL 375 Ca -0.09 0.89 0.03 0.00 0.00 0.00 0.00 61.98 62.81 1xn3 s VAL 375 Cb -0.13 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1xn3 s VAL 375 CO 0.03 -0.43 -0.10 -0.89 0.00 0.00 0.00 175.10 173.71 1xn3 s THR 376 N 5.25 0.85 0.32 3.92 2.01 -0.64 -4.97 115.64 122.38 1xn3 s THR 376 Ca 0.67 -0.39 0.07 0.00 0.31 0.00 0.00 61.69 62.35 1xn3 s THR 376 Cb -0.21 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.52 1xn3 s THR 376 CO 0.29 0.26 0.32 -0.76 -0.69 0.00 0.00 174.62 174.05 1xn3 s LEU 377 N 0.20 3.75 -1.67 4.42 1.43 -1.26 -4.09 118.68 121.46 1xn3 s LEU 377 Ca -0.04 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 1xn3 s LEU 377 Cb -0.09 -2.39 0.11 0.00 0.03 0.00 0.00 46.19 43.85 1xn3 s LEU 377 CO 0.01 -0.31 0.26 0.47 0.23 0.00 0.00 176.35 177.01 1xn3 n ASP 378 N -1.41 -0.28 0.13 2.29 10.43 -1.26 -4.83 116.55 121.62 1xn3 n ASP 378 Ca -0.03 -1.24 -0.01 0.00 2.57 0.00 0.00 54.79 56.08 1xn3 n ASP 378 Cb 0.59 -1.57 0.21 0.00 1.84 0.00 0.00 41.12 42.20 1xn3 n ASP 378 CO 0.00 0.00 0.00 0.24 -1.07 0.00 0.00 177.20 176.37 1xn3 h MET 379 N -1.34 0.09 -0.07 -1.24 2.86 -2.00 -2.18 114.93 111.04 1xn3 h MET 379 Ca -0.62 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 56.99 1xn3 h MET 379 Cb 1.37 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.03 1xn3 h MET 379 CO 0.78 0.59 0.06 1.49 1.06 0.00 0.00 176.91 180.89 1xn3 h GLU 380 N 0.07 0.00 0.00 1.72 4.81 -1.99 0.17 114.58 119.37 1xn3 h GLU 380 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xn3 h GLU 380 Cb 0.95 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1xn3 h GLU 380 CO 0.07 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.10 1xn3 n ASP 381 N -4.16 0.66 0.20 1.04 8.00 -0.82 -2.43 116.55 119.04 1xn3 n ASP 381 Ca -0.01 0.68 0.09 0.00 0.71 0.00 0.00 54.79 56.25 1xn3 n ASP 381 Cb 0.17 -0.81 0.23 0.00 -0.02 0.00 0.00 41.12 40.69 1xn3 n ASP 381 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xn3 s GLY 383 N -4.31 2.70 0.02 0.00 0.00 -1.02 -3.97 107.32 100.74 1xn3 s GLY 383 Ca 0.04 0.94 0.00 0.00 0.00 0.00 0.00 44.72 45.70 1xn3 s GLY 383 CO 0.68 1.32 0.10 -0.47 0.00 0.00 0.00 173.10 174.72 1xn3 s TYR 384 N -1.66 3.29 0.00 1.90 5.04 -1.26 -4.94 117.35 119.73 1xn3 s TYR 384 Ca 0.76 0.18 0.00 0.00 -2.44 0.00 0.00 57.07 55.57 1xn3 s TYR 384 Cb -0.28 -1.71 0.00 0.00 0.35 0.00 0.00 41.96 40.32 1xn3 s TYR 384 CO 0.31 0.55 0.17 0.09 -1.34 0.00 0.00 175.55 175.33