#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 1.75 -0.42 1.61 0.15 -1.26 -2.10 113.70 113.44 1xn3 s SER 46 Ca 0.00 -0.30 0.11 0.00 0.70 0.00 0.00 55.95 56.46 1xn3 s SER 46 Cb 0.00 -0.04 0.39 0.00 -1.71 0.00 0.00 66.02 64.66 1xn3 s SER 46 CO 0.00 -0.32 0.91 0.49 1.20 0.00 0.00 173.24 175.53 1xn3 n PHE 47 N 5.30 1.93 -0.45 3.44 3.01 -1.26 -4.95 117.46 124.47 1xn3 n PHE 47 Ca -0.06 -3.43 0.37 0.00 1.01 0.00 0.00 57.45 55.34 1xn3 n PHE 47 Cb 0.49 -0.36 0.65 0.00 -0.01 0.00 0.00 39.48 40.26 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 2.30 0.11 0.00 -4.37 -1.51 -1.96 0.34 116.25 111.15 1xn3 h VAL 48 Ca 0.09 -0.03 -0.03 0.00 -1.23 0.00 0.00 66.70 65.51 1xn3 h VAL 48 Cb 0.92 0.03 -0.00 0.00 -2.13 0.00 0.00 31.29 30.10 1xn3 h VAL 48 CO 0.64 0.01 -0.13 1.05 -1.23 0.00 0.00 177.57 177.91 1xn3 h GLU 1 N 0.08 0.00 0.00 5.19 4.11 -1.95 -3.09 114.58 118.92 1xn3 h GLU 1 Ca 0.83 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.26 1xn3 h GLU 1 Cb 2.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.86 1xn3 h GLU 1 CO -0.42 0.13 -1.16 -1.33 0.07 0.00 0.00 179.01 176.30 1xn3 n MET 2 N -3.59 1.15 -2.00 1.06 2.81 0.12 -4.51 117.12 112.16 1xn3 n MET 2 Ca -0.01 -0.06 -0.41 0.00 -1.81 0.00 0.00 57.70 55.40 1xn3 n MET 2 Cb 0.26 -1.33 -0.02 0.00 -0.71 0.00 0.00 33.22 31.43 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 -2.80 2.59 -1.21 2.03 1.01 -0.99 -2.65 120.40 118.37 1xn3 s VAL 3 Ca 0.01 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1xn3 s VAL 3 Cb 0.12 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1xn3 s VAL 3 CO 0.69 0.09 0.00 0.47 0.00 0.00 0.00 175.10 176.35 1xn3 n ASP 4 N 1.91 -4.30 -0.54 3.32 10.43 -1.21 -4.92 116.55 121.24 1xn3 n ASP 4 Ca 0.05 0.02 0.11 0.00 2.57 0.00 0.00 54.79 57.55 1xn3 n ASP 4 Cb 0.40 -3.42 0.41 0.00 1.84 0.00 0.00 41.12 40.35 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 -0.59 1.64 -4.79 -2.24 6.94 -1.01 -4.84 115.26 110.37 1xn3 n ASN 5 Ca -0.16 -1.66 -0.24 0.00 -0.02 0.00 0.00 54.58 52.50 1xn3 n ASN 5 Cb 0.61 -0.08 -0.05 0.00 -2.36 0.00 0.00 39.78 37.89 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 -1.68 3.73 0.07 -4.53 1.43 -0.28 -4.42 118.68 113.01 1xn3 s LEU 6 Ca 0.34 -0.25 -0.05 0.00 -1.03 0.00 0.00 54.13 53.14 1xn3 s LEU 6 Cb 0.18 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 1xn3 s LEU 6 CO 0.28 0.01 0.09 -0.13 0.23 0.00 0.00 176.35 176.83 1xn3 s ARG 7 N -3.49 0.73 0.00 1.70 0.52 -0.82 0.02 118.95 117.61 1xn3 s ARG 7 Ca 0.32 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 1xn3 s ARG 7 Cb -0.09 0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.66 1xn3 s ARG 7 CO 0.23 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.77 1xn3 n GLY 8 N 0.04 0.56 3.69 -3.53 0.00 -1.26 -0.12 105.19 104.56 1xn3 n GLY 8 Ca -0.15 -2.20 -0.09 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.47 1.59 0.39 1.61 -2.85 -0.91 -4.72 119.74 114.38 1xn3 s LYS 9 Ca 0.00 -0.79 0.10 0.00 -1.00 0.00 0.00 55.97 54.28 1xn3 s LYS 9 Cb 0.00 0.60 0.87 0.00 -2.06 0.00 0.00 37.83 37.25 1xn3 s LYS 9 CO 0.00 -0.72 1.95 0.66 0.10 0.00 0.00 175.35 177.34 1xn3 h SER 10 N 2.00 0.54 0.81 0.03 4.64 -1.94 0.29 113.55 119.92 1xn3 h SER 10 Ca -0.25 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.00 1xn3 h SER 10 Cb 1.27 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1xn3 h SER 10 CO 0.29 0.33 -0.40 1.23 -0.87 0.00 0.00 176.83 177.40 1xn3 h GLY 11 N 0.60 0.00 -0.08 -0.77 0.00 -1.97 -3.30 103.07 97.55 1xn3 h GLY 11 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1xn3 h GLY 11 CO -0.11 0.00 -0.01 -1.06 0.00 0.00 0.00 176.54 175.36 1xn3 n GLN 12 N -3.57 0.30 0.00 4.80 6.02 -1.04 -4.96 117.38 118.92 1xn3 n GLN 12 Ca -0.00 -0.48 0.00 0.00 -0.01 0.00 0.00 57.00 56.50 1xn3 n GLN 12 Cb 0.52 -0.95 0.00 0.00 1.02 0.00 0.00 30.24 30.83 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 0.21 0.09 3.62 1.08 0.00 0.98 -4.87 105.19 106.30 1xn3 n GLY 13 Ca 0.01 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.95 3.12 0.18 1.61 1.51 -1.26 -2.14 117.35 117.42 1xn3 s TYR 14 Ca 0.00 0.03 0.06 0.00 -1.01 0.00 0.00 57.07 56.15 1xn3 s TYR 14 Cb 0.00 -1.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.94 1xn3 s TYR 14 CO 0.00 0.28 -0.11 1.52 -1.11 0.00 0.00 175.55 176.13 1xn3 s TYR 15 N -0.37 1.48 0.11 2.71 -0.85 0.82 -1.17 117.35 120.08 1xn3 s TYR 15 Ca 0.07 -0.70 0.08 0.00 -0.52 0.00 0.00 57.07 55.99 1xn3 s TYR 15 Cb -0.12 -0.74 -0.04 0.00 0.38 0.00 0.00 41.96 41.44 1xn3 s TYR 15 CO 0.02 0.18 -0.19 0.54 -1.52 0.00 0.00 175.55 174.59 1xn3 s VAL 16 N -3.19 1.60 0.23 -3.49 0.11 0.10 -1.94 120.40 113.83 1xn3 s VAL 16 Ca 0.20 -1.59 -0.30 0.00 -2.93 0.00 0.00 61.98 57.37 1xn3 s VAL 16 Cb 0.02 -1.52 -0.09 0.00 -1.53 0.00 0.00 36.38 33.25 1xn3 s VAL 16 CO 0.04 -0.16 0.94 -0.70 -3.33 0.00 0.00 175.10 171.89 1xn3 s GLU 17 N -2.10 4.85 0.13 1.54 2.12 -1.26 -0.53 118.70 123.44 1xn3 s GLU 17 Ca 0.07 1.49 -0.02 0.00 0.36 0.00 0.00 54.97 56.87 1xn3 s GLU 17 Cb -0.09 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 1xn3 s GLU 17 CO 0.04 0.50 0.09 -1.64 -0.54 0.00 0.00 175.26 173.71 1xn3 s MET 18 N -1.13 0.95 0.03 4.30 -1.94 -0.18 -4.12 119.30 117.20 1xn3 s MET 18 Ca 0.41 -1.38 0.05 0.00 -1.71 0.00 0.00 55.69 53.06 1xn3 s MET 18 Cb -0.26 0.26 -0.02 0.00 2.01 0.00 0.00 34.83 36.82 1xn3 s MET 18 CO 0.32 -0.28 -0.15 0.95 -0.01 0.00 0.00 175.02 175.86 1xn3 s THR 19 N -4.03 1.15 0.06 2.05 -4.23 0.25 -1.10 115.64 109.79 1xn3 s THR 19 Ca 0.22 -0.97 0.05 0.00 -1.18 0.00 0.00 61.69 59.81 1xn3 s THR 19 Cb 0.07 -1.03 -0.03 0.00 1.34 0.00 0.00 72.50 72.85 1xn3 s THR 19 CO 0.01 0.05 -0.14 0.68 -0.54 0.00 0.00 174.62 174.68 1xn3 s VAL 20 N -0.79 1.06 0.00 2.29 -7.23 0.02 -1.49 120.40 114.26 1xn3 s VAL 20 Ca 0.02 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 1xn3 s VAL 20 Cb -0.08 -1.01 0.00 0.00 0.56 0.00 0.00 36.38 35.85 1xn3 s VAL 20 CO 0.01 -0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 1xn3 n GLY 21 N 1.52 -1.58 2.81 2.32 0.00 -0.41 -0.76 105.19 109.09 1xn3 n GLY 21 Ca -0.20 -1.52 -0.25 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.40 1.90 0.83 1.61 0.01 -1.26 -2.78 113.70 110.61 1xn3 s SER 22 Ca 0.00 -0.22 -0.11 0.00 1.31 0.00 0.00 55.95 56.93 1xn3 s SER 22 Cb 0.00 -0.59 0.09 0.00 0.21 0.00 0.00 66.02 65.74 1xn3 s SER 22 CO 0.00 -0.18 1.10 -2.16 0.41 0.00 0.00 173.24 172.41 1xn3 s PRO 23 N 1.88 1.78 0.12 12.44 0.04 -1.26 -0.70 135.00 149.29 1xn3 s PRO 23 Ca 0.04 1.18 -0.35 0.00 0.04 0.00 0.00 61.00 61.92 1xn3 s PRO 23 Cb -0.13 -1.84 -0.15 0.00 0.04 0.00 0.00 34.50 32.42 1xn3 s PRO 23 CO -0.06 -1.99 1.52 -2.30 0.04 0.00 0.00 177.00 174.21 1xn3 n PRO 24 N -3.76 1.82 -3.97 0.56 -0.02 -1.12 -4.92 135.00 123.60 1xn3 n PRO 24 Ca 0.09 0.66 -0.35 0.00 -2.02 0.00 0.00 63.50 61.88 1xn3 n PRO 24 Cb 0.53 -2.39 -0.13 0.00 -0.02 0.00 0.00 33.50 31.49 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 0.96 3.50 0.07 -0.52 -0.21 0.06 -4.89 119.66 118.64 1xn3 s GLN 25 Ca 0.81 -0.57 -0.25 0.00 0.02 0.00 0.00 55.36 55.37 1xn3 s GLN 25 Cb -0.77 -3.07 -0.06 0.00 1.00 0.00 0.00 33.01 30.11 1xn3 s GLN 25 CO 0.42 -0.11 0.77 0.99 -2.12 0.00 0.00 175.29 175.24 1xn3 s THR 26 N 1.31 4.65 -0.03 -0.19 2.01 -1.26 -0.80 115.64 121.32 1xn3 s THR 26 Ca 0.04 1.66 -0.10 0.00 0.31 0.00 0.00 61.69 63.60 1xn3 s THR 26 Cb -0.15 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.25 1xn3 s THR 26 CO -0.00 0.39 0.22 -0.76 -0.69 0.00 0.00 174.62 173.78 1xn3 s LEU 27 N -0.27 1.20 -0.12 4.42 1.43 -0.26 -4.93 118.68 120.15 1xn3 s LEU 27 Ca 0.38 0.08 -0.18 0.00 -1.03 0.00 0.00 54.13 53.38 1xn3 s LEU 27 Cb -0.21 0.90 -0.04 0.00 0.03 0.00 0.00 46.19 46.87 1xn3 s LEU 27 CO 0.24 -0.31 0.46 0.20 0.23 0.00 0.00 176.35 177.16 1xn3 s ASN 28 N -0.94 6.66 -0.11 2.29 0.02 -1.26 -1.01 114.94 120.58 1xn3 s ASN 28 Ca -0.10 0.79 0.02 0.00 -1.02 0.00 0.00 52.86 52.55 1xn3 s ASN 28 Cb -0.05 -2.28 0.01 0.00 0.02 0.00 0.00 41.25 38.95 1xn3 s ASN 28 CO 0.02 0.01 -0.18 -0.63 0.02 0.00 0.00 177.10 176.34 1xn3 s ILE 29 N 0.60 1.69 0.15 0.60 -1.09 0.31 0.13 121.20 123.59 1xn3 s ILE 29 Ca 0.25 -0.76 -0.31 0.00 -2.23 0.00 0.00 60.65 57.59 1xn3 s ILE 29 Cb -0.15 -1.51 -0.09 0.00 -1.58 0.00 0.00 42.46 39.13 1xn3 s ILE 29 CO 0.10 0.48 1.51 -0.22 -1.23 0.00 0.00 174.94 175.58 1xn3 s LEU 30 N 0.84 4.37 -0.34 2.97 2.96 -0.21 -0.72 118.68 128.55 1xn3 s LEU 30 Ca -0.09 2.53 -0.24 0.00 -0.22 0.00 0.00 54.13 56.11 1xn3 s LEU 30 Cb -0.15 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 42.95 1xn3 s LEU 30 CO 0.00 -0.77 0.83 -0.69 -1.32 0.00 0.00 176.35 174.40 1xn3 s VAL 31 N 1.11 4.71 -0.32 1.68 1.01 -0.32 0.33 120.40 128.61 1xn3 s VAL 31 Ca 0.68 1.08 0.01 0.00 0.00 0.00 0.00 61.98 63.76 1xn3 s VAL 31 Cb -0.42 -4.23 0.10 0.00 0.00 0.00 0.00 36.38 31.83 1xn3 s VAL 31 CO 0.31 -0.40 0.07 -0.62 0.00 0.00 0.00 175.10 174.46 1xn3 s ASP 32 N 1.77 4.32 0.00 3.32 2.15 -0.18 -4.27 116.67 123.78 1xn3 s ASP 32 Ca 0.34 -1.82 0.26 0.00 0.43 0.00 0.00 52.55 51.76 1xn3 s ASP 32 Cb -0.13 -1.21 1.40 0.00 -0.30 0.00 0.00 42.92 42.68 1xn3 s ASP 32 CO 0.16 -0.39 1.88 0.35 -0.17 0.00 0.00 175.17 177.00 1xn3 n THR 33 N 4.58 0.11 0.12 1.71 -2.24 -1.26 -0.86 114.28 116.44 1xn3 n THR 33 Ca -0.00 0.03 0.10 0.00 -2.27 0.00 0.00 64.05 61.90 1xn3 n THR 33 Cb 0.42 -0.62 0.27 0.00 -2.10 0.00 0.00 70.33 68.30 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 0.75 1.78 3.55 3.38 0.00 -1.26 -4.19 105.19 109.21 1xn3 n GLY 34 Ca 0.15 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.03 0.70 -0.01 1.61 1.04 -1.21 -4.99 113.70 109.81 1xn3 s SER 35 Ca 0.40 -1.40 0.02 0.00 0.48 0.00 0.00 55.95 55.45 1xn3 s SER 35 Cb 0.21 0.69 0.03 0.00 0.10 0.00 0.00 66.02 67.05 1xn3 s SER 35 CO 0.28 -1.36 0.78 -1.20 0.98 0.00 0.00 173.24 172.72 1xn3 n SER 36 N -1.35 0.61 -4.73 7.02 7.64 -1.26 -0.12 113.62 121.43 1xn3 n SER 36 Ca -0.01 -1.64 -0.35 0.00 1.01 0.00 0.00 58.87 57.89 1xn3 n SER 36 Cb 0.61 -0.09 -0.08 0.00 -1.01 0.00 0.00 64.21 63.64 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 -0.71 5.51 -0.29 6.43 -0.87 -1.26 -4.53 114.94 119.21 1xn3 s ASN 37 Ca 0.03 0.20 -0.13 0.00 -1.57 0.00 0.00 52.86 51.40 1xn3 s ASN 37 Cb 0.03 -1.60 -0.04 0.00 -0.02 0.00 0.00 41.25 39.62 1xn3 s ASN 37 CO 0.00 0.37 0.27 0.12 -2.57 0.00 0.00 177.10 175.29 1xn3 s PHE 38 N -0.96 3.23 -0.04 2.20 5.99 -1.26 -1.43 117.98 125.71 1xn3 s PHE 38 Ca 0.15 0.17 -0.06 0.00 0.00 0.00 0.00 56.93 57.20 1xn3 s PHE 38 Cb -0.12 -2.48 0.01 0.00 0.00 0.00 0.00 43.02 40.44 1xn3 s PHE 38 CO 0.04 -0.22 0.14 0.00 -0.00 0.00 0.00 175.22 175.18 1xn3 s ALA 39 N 1.88 -0.35 0.05 11.12 0.00 -0.69 -1.22 121.76 132.55 1xn3 s ALA 39 Ca 0.10 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.33 1xn3 s ALA 39 Cb -0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1xn3 s ALA 39 CO 0.11 -0.11 -0.10 0.14 0.00 0.00 0.00 175.76 175.79 1xn3 s VAL 40 N -0.38 0.77 0.24 0.00 -7.23 -0.60 0.18 120.40 113.37 1xn3 s VAL 40 Ca -0.05 -1.15 -0.31 0.00 -1.81 0.00 0.00 61.98 58.67 1xn3 s VAL 40 Cb -0.03 -0.79 -0.11 0.00 0.56 0.00 0.00 36.38 36.01 1xn3 s VAL 40 CO 0.01 -0.31 1.56 -0.83 -0.31 0.00 0.00 175.10 175.22 1xn3 s GLY 41 N -1.61 1.93 -0.08 2.32 0.00 0.47 -0.47 107.32 109.89 1xn3 s GLY 41 Ca -0.07 1.46 0.12 0.00 0.00 0.00 0.00 44.72 46.23 1xn3 s GLY 41 CO 0.01 2.53 1.11 0.00 0.00 0.00 0.00 173.10 176.75 1xn3 n ALA 42 N 2.85 2.36 -3.35 3.20 0.00 -0.65 -0.08 120.51 124.83 1xn3 n ALA 42 Ca 0.10 -2.08 -0.13 0.00 0.00 0.00 0.00 53.44 51.32 1xn3 n ALA 42 Cb 0.38 -0.47 -0.04 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.51 -1.46 0.42 0.00 0.00 -1.25 -4.75 121.76 113.21 1xn3 s ALA 43 Ca 0.21 0.60 -0.26 0.00 0.00 0.00 0.00 51.96 52.51 1xn3 s ALA 43 Cb 0.20 0.56 -0.10 0.00 0.00 0.00 0.00 23.12 23.78 1xn3 s ALA 43 CO -0.02 -0.60 1.31 -0.35 0.00 0.00 0.00 175.76 176.10 1xn3 n PRO 44 N 0.11 2.04 -3.79 0.00 -0.04 -1.26 -4.91 135.00 127.14 1xn3 n PRO 44 Ca -0.18 0.72 -0.13 0.00 -0.04 0.00 0.00 63.50 63.88 1xn3 n PRO 44 Cb 0.62 -2.44 -0.10 0.00 -0.04 0.00 0.00 33.50 31.54 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 -1.18 -0.20 0.36 0.54 2.46 -1.26 -5.05 115.29 110.95 1xn3 s HIS 45 Ca 0.60 0.42 0.11 0.00 0.47 0.00 0.00 55.06 56.66 1xn3 s HIS 45 Cb -0.50 0.07 0.87 0.00 -0.13 0.00 0.00 32.58 32.90 1xn3 s HIS 45 CO 0.59 -0.26 1.83 -1.35 -2.47 0.00 0.00 174.74 173.07 1xn3 h PRO 46 N 4.78 0.61 -0.62 2.88 0.11 -2.03 -1.52 132.00 136.22 1xn3 h PRO 46 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1xn3 h PRO 46 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1xn3 h PRO 46 CO 0.37 0.41 0.00 1.19 -0.21 0.00 0.00 178.00 179.75 1xn3 n PHE 47 N -4.61 1.07 -4.18 0.65 0.99 -1.26 -4.87 117.46 105.24 1xn3 n PHE 47 Ca 0.20 -0.46 -0.34 0.00 -0.00 0.00 0.00 57.45 56.86 1xn3 n PHE 47 Cb 0.58 -0.13 -0.15 0.00 -1.00 0.00 0.00 39.48 38.78 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 -1.37 2.43 0.11 4.37 1.43 -0.57 -4.67 118.68 120.41 1xn3 s LEU 48 Ca 0.41 -0.53 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 1xn3 s LEU 48 Cb 0.25 -1.57 -0.21 0.00 0.03 0.00 0.00 46.19 44.68 1xn3 s LEU 48 CO 0.23 0.02 1.24 0.45 0.23 0.00 0.00 176.35 178.52 1xn3 h HIS 49 N 7.80 0.01 -3.92 0.29 3.86 -1.89 -3.41 115.15 117.89 1xn3 h HIS 49 Ca -0.41 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 58.68 1xn3 h HIS 49 Cb 1.16 -0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.50 1xn3 h HIS 49 CO 0.51 1.01 -0.35 -0.98 0.86 0.00 0.00 177.93 178.98 1xn3 s ARG 50 N -2.70 1.10 0.23 2.45 1.70 -1.26 -5.12 118.95 115.35 1xn3 s ARG 50 Ca 0.01 -1.17 -0.20 0.00 -0.47 0.00 0.00 55.73 53.90 1xn3 s ARG 50 Cb 0.10 0.36 0.03 0.00 -0.57 0.00 0.00 34.95 34.87 1xn3 s ARG 50 CO 0.82 -0.39 0.63 1.52 -1.08 0.00 0.00 175.30 176.80 1xn3 s TYR 51 N -3.96 -0.21 -0.06 5.89 -0.85 -1.26 -4.90 117.35 111.99 1xn3 s TYR 51 Ca 0.16 -0.15 -0.30 0.00 -0.52 0.00 0.00 57.07 56.26 1xn3 s TYR 51 Cb 0.04 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.90 1xn3 s TYR 51 CO -0.01 -1.06 1.43 -0.47 -1.52 0.00 0.00 175.55 173.92 1xn3 s TYR 52 N -3.88 2.60 -0.58 -3.49 5.04 0.88 -4.94 117.35 112.99 1xn3 s TYR 52 Ca 0.09 0.69 -0.05 0.00 -2.44 0.00 0.00 57.07 55.37 1xn3 s TYR 52 Cb -0.03 -3.69 0.15 0.00 0.35 0.00 0.00 41.96 38.74 1xn3 s TYR 52 CO 0.00 -2.64 0.41 -0.65 -1.34 0.00 0.00 175.55 171.33 1xn3 s GLN 53 N 3.17 2.54 0.28 4.97 -0.21 -1.26 -4.45 119.66 124.69 1xn3 s GLN 53 Ca 0.64 -2.29 -0.01 0.00 0.02 0.00 0.00 55.36 53.72 1xn3 s GLN 53 Cb -0.29 -3.79 0.46 0.00 1.00 0.00 0.00 33.01 30.39 1xn3 s GLN 53 CO 0.24 -1.17 1.88 0.00 -2.12 0.00 0.00 175.29 174.13 1xn3 h ARG 54 N 7.48 1.08 0.00 2.91 3.08 -1.94 -1.93 114.38 125.06 1xn3 h ARG 54 Ca -0.05 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1xn3 h ARG 54 Cb 0.99 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 1xn3 h ARG 54 CO 0.73 0.71 -0.01 1.96 -1.07 0.00 0.00 179.97 182.30 1xn3 h GLN 55 N 1.11 0.00 -0.02 0.04 4.20 -2.01 -1.37 115.11 117.07 1xn3 h GLN 55 Ca 0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.14 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 -0.18 0.01 -0.16 1.28 -0.67 0.00 0.00 178.83 179.11 1xn3 n LEU 56 N -3.30 1.68 -4.59 1.46 4.77 -0.73 -4.86 117.00 111.44 1xn3 n LEU 56 Ca -0.03 -0.55 -0.37 0.00 -0.03 0.00 0.00 56.01 55.03 1xn3 n LEU 56 Cb 0.11 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.06 1xn3 n LEU 56 CO 0.23 0.29 -0.19 -0.55 -1.33 0.00 0.00 177.39 175.85 1xn3 s SER 57 N -2.24 5.94 0.49 -1.43 0.15 -0.52 -4.24 113.70 111.85 1xn3 s SER 57 Ca 0.29 0.00 0.31 0.00 0.70 0.00 0.00 55.95 57.25 1xn3 s SER 57 Cb 0.20 -2.09 1.13 0.00 -1.71 0.00 0.00 66.02 63.55 1xn3 s SER 57 CO 0.43 -0.01 1.89 0.77 1.20 0.00 0.00 173.24 177.51 1xn3 h SER 58 N 8.07 0.00 -0.27 5.45 4.64 -1.21 -3.05 113.55 127.19 1xn3 h SER 58 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1xn3 h SER 58 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1xn3 h SER 58 CO 0.59 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.90 1xn3 n THR 59 N -2.98 0.33 -1.97 2.95 -2.24 -1.26 -4.98 114.28 104.14 1xn3 n THR 59 Ca 0.01 -0.67 -0.41 0.00 -2.27 0.00 0.00 64.05 60.71 1xn3 n THR 59 Cb 0.34 1.16 -0.02 0.00 -2.10 0.00 0.00 70.33 69.71 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 -1.66 2.95 -0.13 4.78 5.04 -1.15 -4.55 117.35 122.62 1xn3 s TYR 60 Ca 0.35 1.02 0.01 0.00 -2.44 0.00 0.00 57.07 56.02 1xn3 s TYR 60 Cb 0.22 -3.87 0.02 0.00 0.35 0.00 0.00 41.96 38.68 1xn3 s TYR 60 CO 0.31 -2.79 -0.17 1.03 -1.34 0.00 0.00 175.55 172.60 1xn3 s ARG 61 N -0.62 2.47 -0.41 4.97 0.52 -0.29 -4.99 118.95 120.60 1xn3 s ARG 61 Ca 0.59 -0.64 -0.24 0.00 -0.52 0.00 0.00 55.73 54.92 1xn3 s ARG 61 Cb -0.43 -2.12 0.02 0.00 0.52 0.00 0.00 34.95 32.94 1xn3 s ARG 61 CO 0.46 -0.12 0.82 0.34 0.02 0.00 0.00 175.30 176.82 1xn3 s ASP 62 N 1.12 6.50 0.00 0.23 -1.08 -1.26 -0.96 116.67 121.22 1xn3 s ASP 62 Ca -0.02 0.16 0.31 0.00 -0.52 0.00 0.00 52.55 52.48 1xn3 s ASP 62 Cb -0.14 -2.41 1.79 0.00 -1.46 0.00 0.00 42.92 40.70 1xn3 s ASP 62 CO -0.05 -0.87 2.17 0.18 0.52 0.00 0.00 175.17 177.12 1xn3 n LEU 63 N 6.69 0.01 -4.12 -1.34 4.77 -0.89 -4.92 117.00 117.20 1xn3 n LEU 63 Ca 0.04 0.08 -0.29 0.00 -0.03 0.00 0.00 56.01 55.81 1xn3 n LEU 63 Cb 0.48 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.44 1xn3 n LEU 63 CO 0.58 0.00 -0.29 0.54 -1.33 0.00 0.00 177.39 176.89 1xn3 n ARG 64 N -1.08 -2.46 -3.74 3.23 1.74 -1.25 -4.95 116.66 108.15 1xn3 n ARG 64 Ca 0.21 0.29 -0.12 0.00 -0.77 0.00 0.00 57.85 57.46 1xn3 n ARG 64 Cb 0.15 -4.30 -0.11 0.00 -1.02 0.00 0.00 32.46 27.18 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 -6.88 0.34 0.63 5.56 2.20 -1.26 -5.04 119.74 115.28 1xn3 s LYS 65 Ca 0.11 0.54 -0.06 0.00 -0.36 0.00 0.00 55.97 56.20 1xn3 s LYS 65 Cb -0.06 0.06 0.03 0.00 -1.51 0.00 0.00 37.83 36.35 1xn3 s LYS 65 CO 0.93 -0.10 0.94 0.20 -0.36 0.00 0.00 175.35 176.96 1xn3 s GLY 66 N 0.72 1.64 -0.08 5.54 0.00 -1.26 -0.64 107.32 113.23 1xn3 s GLY 66 Ca -0.04 -0.77 -0.16 0.00 0.00 0.00 0.00 44.72 43.74 1xn3 s GLY 66 CO -0.05 -0.44 0.40 0.54 0.00 0.00 0.00 173.10 173.55 1xn3 s VAL 67 N -3.08 0.02 -0.06 1.40 0.11 -0.52 -4.80 120.40 113.47 1xn3 s VAL 67 Ca 0.56 -0.20 0.03 0.00 -2.93 0.00 0.00 61.98 59.43 1xn3 s VAL 67 Cb -0.11 -0.64 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 1xn3 s VAL 67 CO 0.45 -0.11 -0.13 -0.47 -3.33 0.00 0.00 175.10 171.51 1xn3 s TYR 68 N -0.59 1.52 -0.12 1.54 5.04 -1.26 -1.00 117.35 122.48 1xn3 s TYR 68 Ca -0.07 -0.54 -0.01 0.00 -2.44 0.00 0.00 57.07 54.01 1xn3 s TYR 68 Cb -0.04 -1.09 0.03 0.00 0.35 0.00 0.00 41.96 41.21 1xn3 s TYR 68 CO 0.03 -0.26 -0.04 0.08 -1.34 0.00 0.00 175.55 174.02 1xn3 s VAL 69 N 0.56 0.83 -0.18 3.14 1.01 -0.22 -4.85 120.40 120.69 1xn3 s VAL 69 Ca -0.13 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 1xn3 s VAL 69 Cb -0.15 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1xn3 s VAL 69 CO 0.04 0.25 0.04 -2.16 0.00 0.00 0.00 175.10 173.26 1xn3 s PRO 70 N 1.78 3.89 0.44 2.72 0.04 -1.26 -1.84 135.00 140.77 1xn3 s PRO 70 Ca 0.04 -0.39 0.07 0.00 0.04 0.00 0.00 61.00 60.76 1xn3 s PRO 70 Cb -0.13 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 1xn3 s PRO 70 CO -0.07 0.24 0.36 0.71 0.04 0.00 0.00 177.00 178.28 1xn3 s TYR 71 N 0.43 2.46 0.31 0.56 2.02 0.17 -4.99 117.35 118.31 1xn3 s TYR 71 Ca 0.01 -0.58 0.08 0.00 -0.37 0.00 0.00 57.07 56.21 1xn3 s TYR 71 Cb -0.13 -2.09 0.83 0.00 -0.40 0.00 0.00 41.96 40.17 1xn3 s TYR 71 CO 0.01 -0.16 1.73 1.15 -1.57 0.00 0.00 175.55 176.71 1xn3 h THR 72 N 1.02 0.56 -3.13 -0.71 2.02 -1.99 -3.36 112.91 107.33 1xn3 h THR 72 Ca -0.40 -0.20 -0.28 0.00 0.77 0.00 0.00 66.41 66.30 1xn3 h THR 72 Cb 1.27 -0.08 -0.35 0.00 -1.74 0.00 0.00 68.15 67.26 1xn3 h THR 72 CO 0.59 0.11 -0.62 0.00 0.37 0.00 0.00 175.52 175.96 1xn3 s GLN 73 N -5.81 0.05 0.00 6.66 -2.07 -1.26 -5.10 119.66 112.13 1xn3 s GLN 73 Ca -0.11 0.52 0.00 0.00 -1.82 0.00 0.00 55.36 53.95 1xn3 s GLN 73 Cb 0.26 -0.24 0.00 0.00 -1.09 0.00 0.00 33.01 31.94 1xn3 s GLN 73 CO 0.79 -0.27 0.00 0.41 -1.32 0.00 0.00 175.29 174.91 1xn3 n GLY 74 N 5.01 2.45 3.46 2.60 0.00 -1.26 -4.88 105.19 112.58 1xn3 n GLY 74 Ca -0.11 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.91 1.13 0.14 1.61 -2.85 -0.71 -0.65 119.74 114.50 1xn3 s LYS 75 Ca 0.00 -0.30 -0.17 0.00 -1.00 0.00 0.00 55.97 54.50 1xn3 s LYS 75 Cb 0.00 0.52 0.04 0.00 -2.06 0.00 0.00 37.83 36.33 1xn3 s LYS 75 CO 0.00 -0.47 0.44 1.67 0.10 0.00 0.00 175.35 177.09 1xn3 s TRP 76 N -3.14 -0.21 0.05 1.78 1.48 -0.76 -0.69 118.94 117.44 1xn3 s TRP 76 Ca -0.00 -0.10 0.06 0.00 -1.06 0.00 0.00 56.10 55.00 1xn3 s TRP 76 Cb -0.01 0.31 -0.02 0.00 -1.16 0.00 0.00 33.47 32.59 1xn3 s TRP 76 CO -0.08 -0.76 -0.17 -1.21 -4.06 0.00 0.00 176.95 170.67 1xn3 s GLU 77 N -3.81 1.07 0.05 3.25 2.02 0.31 -1.06 118.70 120.53 1xn3 s GLU 77 Ca 0.04 -0.87 -0.01 0.00 0.02 0.00 0.00 54.97 54.14 1xn3 s GLU 77 Cb 0.01 -1.13 0.01 0.00 0.10 0.00 0.00 34.13 33.11 1xn3 s GLU 77 CO -0.10 0.28 0.09 0.41 0.02 0.00 0.00 175.26 175.96 1xn3 n GLY 78 N 1.73 2.17 3.20 -1.39 0.00 -0.17 -1.67 105.19 109.06 1xn3 n GLY 78 Ca -0.18 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 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 2.98 0.43 1.61 2.02 0.02 -1.44 118.70 122.28 1xn3 s GLU 79 Ca 0.03 -0.85 -0.20 0.00 0.02 0.00 0.00 54.97 53.96 1xn3 s GLU 79 Cb -0.01 -2.28 -0.10 0.00 0.10 0.00 0.00 34.13 31.84 1xn3 s GLU 79 CO 0.02 0.14 0.93 -0.51 0.02 0.00 0.00 175.26 175.86 1xn3 s LEU 80 N 0.43 3.91 0.00 1.80 1.43 0.19 -0.61 118.68 125.83 1xn3 s LEU 80 Ca -0.17 1.63 -0.21 0.00 -1.03 0.00 0.00 54.13 54.36 1xn3 s LEU 80 Cb -0.17 -4.49 0.07 0.00 0.03 0.00 0.00 46.19 41.62 1xn3 s LEU 80 CO 0.07 -0.38 0.95 0.61 0.23 0.00 0.00 176.35 177.83 1xn3 n GLY 81 N -0.74 0.38 3.28 -3.19 0.00 -0.90 -2.10 105.19 101.92 1xn3 n GLY 81 Ca 0.07 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.07 1.01 0.12 2.61 -4.23 -0.14 -0.69 115.64 112.26 1xn3 s THR 82 Ca 0.22 -2.03 -0.26 0.00 -1.18 0.00 0.00 61.69 58.44 1xn3 s THR 82 Cb -0.01 -2.12 0.08 0.00 1.34 0.00 0.00 72.50 71.79 1xn3 s THR 82 CO 0.00 -0.51 1.02 -0.62 -0.54 0.00 0.00 174.62 173.97 1xn3 s ASP 83 N -3.23 -0.16 0.23 3.99 3.68 -0.86 -1.14 116.67 119.19 1xn3 s ASP 83 Ca 0.23 -0.34 -0.28 0.00 2.13 0.00 0.00 52.55 54.29 1xn3 s ASP 83 Cb 0.05 0.42 -0.09 0.00 -1.45 0.00 0.00 42.92 41.85 1xn3 s ASP 83 CO 0.05 -0.78 0.90 -0.76 0.13 0.00 0.00 175.17 174.71 1xn3 s LEU 84 N -2.93 4.60 0.01 -1.34 1.43 -1.26 -1.22 118.68 117.97 1xn3 s LEU 84 Ca 0.12 1.87 0.03 0.00 -1.03 0.00 0.00 54.13 55.12 1xn3 s LEU 84 Cb -0.00 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.62 1xn3 s LEU 84 CO 0.01 0.15 -0.09 -0.69 0.23 0.00 0.00 176.35 175.95 1xn3 s VAL 85 N -1.22 0.70 0.08 -1.59 1.01 0.67 -1.28 120.40 118.76 1xn3 s VAL 85 Ca 0.41 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1xn3 s VAL 85 Cb -0.24 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1xn3 s VAL 85 CO 0.30 0.01 0.01 -0.44 0.00 0.00 0.00 175.10 174.98 1xn3 s SER 86 N -0.70 0.41 -0.31 3.32 0.01 -0.56 -1.57 113.70 114.30 1xn3 s SER 86 Ca -0.00 -1.07 0.01 0.00 1.31 0.00 0.00 55.95 56.20 1xn3 s SER 86 Cb -0.06 0.24 0.09 0.00 0.21 0.00 0.00 66.02 66.51 1xn3 s SER 86 CO 0.00 -0.65 0.06 -0.63 0.41 0.00 0.00 173.24 172.43 1xn3 s ILE 87 N -3.97 1.46 0.27 1.44 1.01 -1.26 -0.58 121.20 119.57 1xn3 s ILE 87 Ca 0.13 -1.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.07 1xn3 s ILE 87 Cb 0.08 -2.04 0.29 0.00 0.01 0.00 0.00 42.46 40.80 1xn3 s ILE 87 CO -0.06 -0.56 1.65 -0.65 0.00 0.00 0.00 174.94 175.33 1xn3 h PRO 88 N 7.90 0.19 -2.00 2.79 0.11 -1.91 -0.83 132.00 138.24 1xn3 h PRO 88 Ca -0.11 -0.01 -0.74 0.00 0.11 0.00 0.00 66.00 65.25 1xn3 h PRO 88 Cb 1.03 -0.04 -0.31 0.00 0.11 0.00 0.00 31.00 31.79 1xn3 h PRO 88 CO 0.48 0.12 0.64 0.72 -0.21 0.00 0.00 178.00 179.75 1xn3 n HIS 89 N -5.25 3.09 -2.78 0.65 8.25 -1.26 -4.92 115.22 112.99 1xn3 n HIS 89 Ca 0.18 -2.64 0.00 0.00 -0.26 0.00 0.00 57.72 55.00 1xn3 n HIS 89 Cb 0.58 -0.96 0.00 0.00 1.12 0.00 0.00 29.99 30.74 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 -0.39 4.78 3.74 -1.41 0.00 -0.32 -4.32 105.19 107.26 1xn3 n GLY 90 Ca 0.48 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 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 1.03 2.47 -1.37 1.61 0.04 -1.26 -4.86 135.00 132.66 1xn3 s PRO 91 Ca 0.00 1.65 -0.15 0.00 0.04 0.00 0.00 61.00 62.54 1xn3 s PRO 91 Cb 0.00 -1.89 0.07 0.00 0.04 0.00 0.00 34.50 32.73 1xn3 s PRO 91 CO 0.00 -1.56 1.96 -1.71 0.04 0.00 0.00 177.00 175.74 1xn3 n ASN 92 N -2.46 4.47 -4.06 6.66 2.85 -1.26 -4.69 115.26 116.77 1xn3 n ASN 92 Ca 0.12 -2.91 -0.10 0.00 -0.11 0.00 0.00 54.58 51.59 1xn3 n ASN 92 Cb 0.51 -1.67 -0.08 0.00 1.24 0.00 0.00 39.78 39.78 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 3.15 0.07 -0.03 3.44 -7.23 -1.26 -5.16 120.40 113.37 1xn3 s VAL 93 Ca 0.48 -1.65 0.03 0.00 -1.81 0.00 0.00 61.98 59.03 1xn3 s VAL 93 Cb 0.09 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 35.03 1xn3 s VAL 93 CO -0.01 -0.31 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.47 1xn3 s THR 94 N -4.02 0.89 0.01 5.32 2.01 -1.26 -4.57 115.64 114.02 1xn3 s THR 94 Ca 0.22 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 61.86 1xn3 s THR 94 Cb 0.05 -0.79 -0.01 0.00 0.01 0.00 0.00 72.50 71.75 1xn3 s THR 94 CO 0.02 0.28 -0.12 0.68 -0.69 0.00 0.00 174.62 174.79 1xn3 s VAL 95 N 0.28 0.94 -0.25 3.82 -7.23 -0.61 -4.93 120.40 112.42 1xn3 s VAL 95 Ca -0.05 -0.70 -0.20 0.00 -1.81 0.00 0.00 61.98 59.21 1xn3 s VAL 95 Cb -0.10 -0.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.99 1xn3 s VAL 95 CO 0.01 0.12 0.63 -0.60 -0.31 0.00 0.00 175.10 174.95 1xn3 s ARG 96 N -0.66 4.12 0.17 4.82 3.52 -1.26 -0.24 118.95 129.42 1xn3 s ARG 96 Ca 0.02 0.56 0.05 0.00 -0.13 0.00 0.00 55.73 56.23 1xn3 s ARG 96 Cb -0.06 -3.64 -0.05 0.00 -1.56 0.00 0.00 34.95 29.64 1xn3 s ARG 96 CO 0.00 -0.40 -0.09 0.00 -0.81 0.00 0.00 175.30 174.00 1xn3 s ALA 97 N 2.45 1.57 0.32 6.12 0.00 -0.36 -4.92 121.76 126.94 1xn3 s ALA 97 Ca 0.26 -1.55 -0.29 0.00 0.00 0.00 0.00 51.96 50.39 1xn3 s ALA 97 Cb -0.16 0.09 -0.10 0.00 0.00 0.00 0.00 23.12 22.96 1xn3 s ALA 97 CO 0.09 -0.10 1.21 -0.80 0.00 0.00 0.00 175.76 176.16 1xn3 s ASN 98 N -3.21 6.95 -0.03 0.00 0.01 -1.26 -2.02 114.94 115.38 1xn3 s ASN 98 Ca 0.19 2.49 -0.01 0.00 -0.71 0.00 0.00 52.86 54.82 1xn3 s ASN 98 Cb 0.03 -2.64 0.03 0.00 0.41 0.00 0.00 41.25 39.08 1xn3 s ASN 98 CO 0.02 -0.39 0.05 -0.63 -1.51 0.00 0.00 177.10 174.65 1xn3 s ILE 99 N -1.17 -0.07 -0.26 0.60 1.01 0.14 -4.62 121.20 116.82 1xn3 s ILE 99 Ca 0.48 0.25 -0.15 0.00 0.00 0.00 0.00 60.65 61.23 1xn3 s ILE 99 Cb -0.36 -0.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 1xn3 s ILE 99 CO 0.47 0.10 0.37 0.00 0.00 0.00 0.00 174.94 175.88 1xn3 s ALA 100 N 1.29 3.57 -0.47 9.38 0.00 -0.36 -2.13 121.76 133.04 1xn3 s ALA 100 Ca -0.07 -0.77 -0.24 0.00 0.00 0.00 0.00 51.96 50.88 1xn3 s ALA 100 Cb -0.13 -2.68 0.03 0.00 0.00 0.00 0.00 23.12 20.34 1xn3 s ALA 100 CO -0.03 -0.58 0.87 0.00 0.00 0.00 0.00 175.76 176.02 1xn3 s ALA 101 N 1.90 3.25 -0.19 0.00 0.00 0.22 -1.56 121.76 125.37 1xn3 s ALA 101 Ca 0.15 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 1xn3 s ALA 101 Cb -0.15 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 1xn3 s ALA 101 CO 0.09 -2.05 1.34 0.42 0.00 0.00 0.00 175.76 175.57 1xn3 s ILE 102 N 3.58 4.13 -0.09 0.00 1.01 0.38 -0.80 121.20 129.41 1xn3 s ILE 102 Ca 0.33 1.34 0.13 0.00 0.00 0.00 0.00 60.65 62.45 1xn3 s ILE 102 Cb -0.11 -3.96 -0.18 0.00 0.01 0.00 0.00 42.46 38.21 1xn3 s ILE 102 CO 0.24 -0.23 0.14 0.35 0.00 0.00 0.00 174.94 175.44 1xn3 n THR 103 N 5.69 0.59 -3.90 2.92 -2.24 -0.67 -1.64 114.28 115.02 1xn3 n THR 103 Ca 0.15 -0.48 -0.12 0.00 -2.27 0.00 0.00 64.05 61.33 1xn3 n THR 103 Cb 0.45 -0.37 -0.14 0.00 -2.10 0.00 0.00 70.33 68.18 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 -2.55 0.07 0.09 -0.78 0.41 -1.03 -4.95 118.70 109.96 1xn3 s GLU 104 Ca -0.06 -0.08 -0.16 0.00 -0.41 0.00 0.00 54.97 54.26 1xn3 s GLU 104 Cb 0.06 -0.02 0.03 0.00 -1.78 0.00 0.00 34.13 32.42 1xn3 s GLU 104 CO 0.56 0.00 0.38 -1.54 -0.49 0.00 0.00 175.26 174.17 1xn3 s SER 105 N -0.17 -0.21 -0.10 -0.19 1.04 -1.26 -0.53 113.70 112.28 1xn3 s SER 105 Ca -0.02 -0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.14 1xn3 s SER 105 Cb -0.01 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.60 1xn3 s SER 105 CO -0.00 -0.77 0.11 -0.62 0.98 0.00 0.00 173.24 172.94 1xn3 s ASP 106 N -2.53 1.32 -1.92 7.02 2.15 0.13 -4.85 116.67 117.99 1xn3 s ASP 106 Ca 0.00 -0.03 0.00 0.00 0.43 0.00 0.00 52.55 52.95 1xn3 s ASP 106 Cb 0.01 0.02 0.00 0.00 -0.30 0.00 0.00 42.92 42.65 1xn3 s ASP 106 CO -0.09 -0.28 0.00 0.29 -0.17 0.00 0.00 175.17 174.92 1xn3 n LYS 107 N 5.30 -1.60 -0.04 4.34 5.02 -1.26 -1.74 118.16 128.18 1xn3 n LYS 107 Ca -0.05 1.08 -0.03 0.00 -2.02 0.00 0.00 58.31 57.29 1xn3 n LYS 107 Cb 0.50 -5.62 -0.01 0.00 -0.02 0.00 0.00 35.03 29.88 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 -3.24 0.18 -2.24 2.13 7.35 -1.26 -4.08 117.46 116.29 1xn3 n PHE 108 Ca -0.22 0.08 -0.41 0.00 -0.76 0.00 0.00 57.45 56.14 1xn3 n PHE 108 Cb 0.68 -0.33 -0.03 0.00 0.35 0.00 0.00 39.48 40.14 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 -1.75 3.24 -0.19 -5.13 0.40 -1.26 -5.01 117.98 108.29 1xn3 s PHE 109 Ca -0.11 1.47 -0.05 0.00 -0.60 0.00 0.00 56.93 57.65 1xn3 s PHE 109 Cb 0.01 -3.55 -0.03 0.00 0.51 0.00 0.00 43.02 39.97 1xn3 s PHE 109 CO 0.16 -1.46 -0.01 0.42 0.70 0.00 0.00 175.22 175.03 1xn3 s ILE 110 N -0.95 3.99 -0.02 0.64 1.01 -1.26 -5.00 121.20 119.60 1xn3 s ILE 110 Ca 0.49 -0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 1xn3 s ILE 110 Cb -0.37 -2.78 -0.09 0.00 0.01 0.00 0.00 42.46 39.23 1xn3 s ILE 110 CO 0.47 0.45 2.02 -3.20 0.00 0.00 0.00 174.94 174.68 1xn3 n ASN 111 N 3.98 3.97 0.00 3.58 4.05 -1.26 -1.82 115.26 127.76 1xn3 n ASN 111 Ca -0.17 0.78 0.00 0.00 0.45 0.00 0.00 54.58 55.64 1xn3 n ASN 111 Cb 0.52 -1.52 0.00 0.00 1.23 0.00 0.00 39.78 40.01 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 4.77 0.80 0.26 8.20 0.00 -1.26 -4.92 105.19 113.04 1xn3 n GLY 112 Ca 0.22 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.71 -3.47 113.55 114.61 1xn3 h SER 113 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xn3 h SER 113 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1xn3 h SER 113 CO 0.00 0.07 0.00 -3.20 -0.87 0.00 0.00 176.83 172.83 1xn3 n ASN 114 N -3.20 -1.67 -4.78 4.97 5.15 -1.26 -4.94 115.26 109.52 1xn3 n ASN 114 Ca 0.00 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.68 1xn3 n ASN 114 Cb 0.35 -1.07 -0.06 0.00 -0.53 0.00 0.00 39.78 38.47 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 -2.47 3.20 -0.11 1.20 1.48 -1.26 -4.62 118.94 116.36 1xn3 s TRP 115 Ca 0.00 0.08 0.01 0.00 -1.06 0.00 0.00 56.10 55.13 1xn3 s TRP 115 Cb 0.00 -1.62 0.03 0.00 -1.16 0.00 0.00 33.47 30.71 1xn3 s TRP 115 CO 0.00 0.52 0.90 0.39 -4.06 0.00 0.00 176.95 174.70 1xn3 n GLU 116 N 0.42 1.97 -3.87 3.25 4.71 0.12 -4.88 120.64 122.37 1xn3 n GLU 116 Ca -0.08 -1.29 -0.05 0.00 -0.01 0.00 0.00 57.16 55.72 1xn3 n GLU 116 Cb 0.52 -1.03 0.02 0.00 -1.01 0.00 0.00 31.44 29.95 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 -0.76 0.25 -0.01 0.62 0.00 -1.09 -0.39 107.32 105.94 1xn3 s GLY 117 Ca 0.02 -0.54 0.01 0.00 0.00 0.00 0.00 44.72 44.22 1xn3 s GLY 117 CO 0.02 1.71 -0.04 -1.50 0.00 0.00 0.00 173.10 173.28 1xn3 s ILE 118 N -2.08 0.36 -0.41 0.90 2.07 0.13 -1.04 121.20 121.13 1xn3 s ILE 118 Ca 0.21 -0.17 -0.04 0.00 -1.41 0.00 0.00 60.65 59.23 1xn3 s ILE 118 Cb -0.04 -0.33 0.10 0.00 0.13 0.00 0.00 42.46 42.33 1xn3 s ILE 118 CO 0.08 0.11 0.22 -0.22 -1.91 0.00 0.00 174.94 173.22 1xn3 s LEU 119 N 0.04 5.22 -0.37 8.50 2.96 0.15 -1.70 118.68 133.47 1xn3 s LEU 119 Ca 0.00 -1.90 -0.29 0.00 -0.22 0.00 0.00 54.13 51.72 1xn3 s LEU 119 Cb -0.04 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.80 1xn3 s LEU 119 CO -0.00 -0.55 1.23 -0.83 -1.32 0.00 0.00 176.35 174.88 1xn3 s GLY 120 N 1.95 1.34 0.00 7.98 0.00 -0.52 -1.01 107.32 117.07 1xn3 s GLY 120 Ca 0.06 -0.14 0.26 0.00 0.00 0.00 0.00 44.72 44.90 1xn3 s GLY 120 CO -0.03 2.50 1.46 1.04 0.00 0.00 0.00 173.10 178.07 1xn3 n LEU 121 N 7.74 2.13 0.00 0.66 4.77 -0.04 -4.21 117.00 128.04 1xn3 n LEU 121 Ca 0.14 -0.71 -0.10 0.00 -0.03 0.00 0.00 56.01 55.30 1xn3 n LEU 121 Cb 0.48 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.62 1xn3 n LEU 121 CO 0.66 0.36 0.30 0.00 -1.33 0.00 0.00 177.39 177.39 1xn3 n ALA 122 N 0.55 -0.49 -1.94 -1.18 0.00 0.83 -4.93 120.51 113.36 1xn3 n ALA 122 Ca 0.15 -0.63 -0.30 0.00 0.00 0.00 0.00 53.44 52.67 1xn3 n ALA 122 Cb 0.47 -0.02 0.03 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.94 3.43 0.49 0.00 1.51 -0.81 -4.62 117.35 115.41 1xn3 s TYR 123 Ca 0.27 1.05 0.19 0.00 -1.01 0.00 0.00 57.07 57.57 1xn3 s TYR 123 Cb -0.01 -2.85 1.23 0.00 -0.11 0.00 0.00 41.96 40.22 1xn3 s TYR 123 CO 0.19 -0.91 2.00 0.00 -1.11 0.00 0.00 175.55 175.72 1xn3 h ALA 124 N -0.41 2.24 -1.02 3.71 0.00 -1.87 -2.61 119.26 119.30 1xn3 h ALA 124 Ca -0.45 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 54.71 1xn3 h ALA 124 Cb 1.23 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1xn3 h ALA 124 CO 0.63 -0.37 0.67 1.49 0.00 0.00 0.00 179.25 181.67 1xn3 h GLU 125 N 0.17 0.33 -0.55 0.00 4.57 -1.88 0.35 114.58 117.58 1xn3 h GLU 125 Ca 0.24 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 1xn3 h GLU 125 Cb 0.71 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1xn3 h GLU 125 CO -0.04 0.22 0.00 0.44 -1.18 0.00 0.00 179.01 178.45 1xn3 n ILE 126 N -4.54 1.46 -2.51 2.32 -5.35 -0.98 -4.66 119.36 105.10 1xn3 n ILE 126 Ca 0.24 -1.17 -0.36 0.00 -0.27 0.00 0.00 62.75 61.19 1xn3 n ILE 126 Cb 0.88 0.28 -0.04 0.00 -1.74 0.00 0.00 39.64 39.03 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 -1.52 3.04 0.04 -1.28 0.00 0.11 -4.59 121.76 117.56 1xn3 s ALA 127 Ca 0.43 0.72 0.02 0.00 0.00 0.00 0.00 51.96 53.12 1xn3 s ALA 127 Cb 0.26 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1xn3 s ALA 127 CO 0.23 -0.29 0.06 1.03 0.00 0.00 0.00 175.76 176.80 1xn3 s ARG 128 N -2.64 2.92 0.39 0.00 1.81 -1.26 -2.75 118.95 117.41 1xn3 s ARG 128 Ca 0.60 -0.61 0.16 0.00 -1.72 0.00 0.00 55.73 54.16 1xn3 s ARG 128 Cb -0.22 -2.76 0.80 0.00 -0.45 0.00 0.00 34.95 32.32 1xn3 s ARG 128 CO 0.27 0.60 1.82 -1.35 -0.68 0.00 0.00 175.30 175.97 1xn3 h PRO 129 N 3.77 0.00 0.00 3.54 0.11 -1.90 -3.46 132.00 134.06 1xn3 h PRO 129 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1xn3 h PRO 129 Cb 1.17 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.29 1xn3 h PRO 129 CO 0.63 0.35 0.24 -0.40 -0.21 0.00 0.00 178.00 178.61 1xn3 n ASP 130 N -3.85 -1.83 0.00 -2.05 5.75 -1.11 -5.02 116.55 108.44 1xn3 n ASP 130 Ca -0.01 -2.25 0.03 0.00 -0.01 0.00 0.00 54.79 52.55 1xn3 n ASP 130 Cb 0.42 3.04 0.19 0.00 -1.03 0.00 0.00 41.12 43.74 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 -1.41 0.00 0.11 -1.12 5.68 -1.25 -2.42 116.55 116.14 1xn3 n ASP 131 Ca -0.07 -0.91 0.12 0.00 -0.50 0.00 0.00 54.79 53.43 1xn3 n ASP 131 Cb 0.48 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.66 1xn3 n ASP 131 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1xn3 h SER 132 N 0.00 0.00 -2.22 -1.12 4.64 -1.91 -3.42 113.55 109.51 1xn3 h SER 132 Ca 0.00 -0.08 -0.62 0.00 -0.47 0.00 0.00 61.79 60.62 1xn3 h SER 132 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 1xn3 h SER 132 CO 0.00 0.04 0.91 -0.22 -0.87 0.00 0.00 176.83 176.69 1xn3 s LEU 133 N -4.89 4.11 0.04 5.97 2.96 -1.02 -4.99 118.68 120.87 1xn3 s LEU 133 Ca 0.06 -1.22 -0.34 0.00 -0.22 0.00 0.00 54.13 52.41 1xn3 s LEU 133 Cb 0.11 -2.47 -0.12 0.00 0.50 0.00 0.00 46.19 44.20 1xn3 s LEU 133 CO 0.69 -1.45 1.75 1.21 -1.32 0.00 0.00 176.35 177.23 1xn3 n GLU 134 N 8.02 2.24 -1.25 1.98 2.13 -1.26 -4.90 120.64 127.60 1xn3 n GLU 134 Ca 0.12 0.81 -0.32 0.00 0.66 0.00 0.00 57.16 58.43 1xn3 n GLU 134 Cb 0.48 -2.63 0.10 0.00 0.27 0.00 0.00 31.44 29.66 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 2.60 2.04 0.16 5.31 0.02 -1.26 -4.55 135.00 139.31 1xn3 s PRO 135 Ca 0.86 1.40 -0.18 0.00 0.02 0.00 0.00 61.00 63.10 1xn3 s PRO 135 Cb -0.66 -1.86 0.06 0.00 0.02 0.00 0.00 34.50 32.06 1xn3 s PRO 135 CO 0.44 -1.84 1.68 0.35 -0.33 0.00 0.00 177.00 177.30 1xn3 h PHE 136 N -0.95 -0.17 -0.27 6.54 3.57 -1.81 -2.25 116.94 121.60 1xn3 h PHE 136 Ca -0.45 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 1xn3 h PHE 136 Cb 1.25 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 1xn3 h PHE 136 CO 0.54 -0.14 0.11 0.35 -2.23 0.00 0.00 178.31 176.94 1xn3 h PHE 137 N 0.01 0.37 -0.31 0.41 3.57 -1.92 0.68 116.94 119.75 1xn3 h PHE 137 Ca 0.17 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.52 1xn3 h PHE 137 Cb 0.25 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1xn3 h PHE 137 CO -0.31 0.29 -0.38 -0.44 -2.23 0.00 0.00 178.31 175.24 1xn3 h ASP 138 N 0.38 0.76 -0.44 0.41 3.32 -1.82 -1.57 116.42 117.46 1xn3 h ASP 138 Ca 0.10 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 56.77 1xn3 h ASP 138 Cb 0.07 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1xn3 h ASP 138 CO -0.01 1.05 0.13 0.28 -1.72 0.00 0.00 179.24 178.97 1xn3 h SER 139 N 0.59 0.64 0.03 6.45 0.02 -0.67 -0.63 113.55 119.98 1xn3 h SER 139 Ca 0.05 -0.21 0.03 0.00 -0.84 0.00 0.00 61.79 60.82 1xn3 h SER 139 Cb 0.91 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.24 1xn3 h SER 139 CO 0.08 0.69 -0.24 0.25 -1.14 0.00 0.00 176.83 176.46 1xn3 h LEU 140 N 0.57 -0.71 -0.86 5.07 5.85 -0.66 0.11 115.31 124.68 1xn3 h LEU 140 Ca 0.14 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 1xn3 h LEU 140 Cb 0.28 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1xn3 h LEU 140 CO -0.00 -0.32 0.32 0.58 -0.34 0.00 0.00 178.44 178.68 1xn3 h VAL 141 N -0.40 1.26 -0.43 1.05 2.07 -1.20 -1.67 116.25 116.93 1xn3 h VAL 141 Ca 0.05 -0.79 -0.13 0.00 0.82 0.00 0.00 66.70 66.65 1xn3 h VAL 141 Cb 0.46 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1xn3 h VAL 141 CO -0.20 0.33 -0.23 0.11 0.02 0.00 0.00 177.57 177.60 1xn3 h LYS 142 N 1.13 0.88 -0.01 1.57 1.57 -0.64 -3.28 116.57 117.80 1xn3 h LYS 142 Ca 0.26 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1xn3 h LYS 142 Cb 0.20 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1xn3 h LYS 142 CO -0.02 1.02 -0.36 1.04 -0.57 0.00 0.00 179.45 180.56 1xn3 n GLN 143 N -4.11 0.64 -4.27 3.15 6.02 -0.02 -4.96 117.38 113.83 1xn3 n GLN 143 Ca 0.00 -0.40 -0.21 0.00 -0.01 0.00 0.00 57.00 56.39 1xn3 n GLN 143 Cb 0.45 -1.49 -0.08 0.00 1.02 0.00 0.00 30.24 30.14 1xn3 n GLN 143 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1xn3 n THR 144 N -0.83 0.00 -0.01 5.09 -2.24 -0.64 -5.03 114.28 110.61 1xn3 n THR 144 Ca 0.10 -2.44 0.11 0.00 -2.27 0.00 0.00 64.05 59.55 1xn3 n THR 144 Cb 0.35 1.16 0.28 0.00 -2.10 0.00 0.00 70.33 70.03 1xn3 n THR 144 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1xn3 n HIS 145 N -0.69 0.81 -1.79 4.78 8.25 -1.26 -4.73 115.22 120.60 1xn3 n HIS 145 Ca 0.06 -0.41 -0.42 0.00 -0.26 0.00 0.00 57.72 56.69 1xn3 n HIS 145 Cb 0.61 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.70 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 -1.19 2.15 0.62 1.59 1.01 -1.26 -4.93 120.40 118.40 1xn3 s VAL 146 Ca 0.43 0.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.35 1xn3 s VAL 146 Cb 0.23 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1xn3 s VAL 146 CO 0.30 0.01 1.20 -2.84 0.00 0.00 0.00 175.10 173.78 1xn3 s PRO 147 N 0.24 2.79 -1.22 2.72 0.02 -1.26 -4.71 135.00 133.58 1xn3 s PRO 147 Ca 0.68 1.80 -0.12 0.00 0.02 0.00 0.00 61.00 63.37 1xn3 s PRO 147 Cb -0.48 -1.91 -0.06 0.00 0.02 0.00 0.00 34.50 32.07 1xn3 s PRO 147 CO 0.41 -1.34 2.34 -1.71 -0.33 0.00 0.00 177.00 176.36 1xn3 n ASN 148 N -1.87 5.22 -3.55 2.53 5.15 -1.26 -4.20 115.26 117.28 1xn3 n ASN 148 Ca 0.13 -2.60 -0.13 0.00 -0.60 0.00 0.00 54.58 51.38 1xn3 n ASN 148 Cb 0.50 -1.37 -0.05 0.00 -0.53 0.00 0.00 39.78 38.32 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 0.87 -0.49 0.07 1.20 0.20 -1.26 -1.54 118.68 117.74 1xn3 s LEU 149 Ca 0.53 0.51 -0.15 0.00 0.69 0.00 0.00 54.13 55.72 1xn3 s LEU 149 Cb 0.14 2.14 0.02 0.00 -0.43 0.00 0.00 46.19 48.07 1xn3 s LEU 149 CO -0.02 -0.46 0.34 0.72 -0.29 0.00 0.00 176.35 176.63 1xn3 s PHE 150 N -1.24 -0.14 0.05 5.38 -0.71 -1.02 0.07 117.98 120.38 1xn3 s PHE 150 Ca -0.05 -0.05 0.03 0.00 -1.04 0.00 0.00 56.93 55.82 1xn3 s PHE 150 Cb -0.00 0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.93 1xn3 s PHE 150 CO 0.04 -0.57 -0.10 -1.54 -1.34 0.00 0.00 175.22 171.72 1xn3 s SER 151 N -2.31 1.12 -0.04 1.98 1.04 -0.44 -0.20 113.70 114.85 1xn3 s SER 151 Ca -0.02 -0.56 0.03 0.00 0.48 0.00 0.00 55.95 55.88 1xn3 s SER 151 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1xn3 s SER 151 CO -0.06 -0.15 -0.12 -0.76 0.98 0.00 0.00 173.24 173.13 1xn3 s LEU 152 N -1.59 1.77 -0.32 2.42 1.43 0.10 -0.68 118.68 121.81 1xn3 s LEU 152 Ca -0.07 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1xn3 s LEU 152 Cb -0.10 -0.74 0.10 0.00 0.03 0.00 0.00 46.19 45.47 1xn3 s LEU 152 CO 0.01 0.08 0.06 -1.58 0.23 0.00 0.00 176.35 175.15 1xn3 s GLN 153 N 0.30 1.18 -0.19 1.70 0.74 -0.10 -0.66 119.66 122.63 1xn3 s GLN 153 Ca -0.07 -1.45 -0.16 0.00 0.05 0.00 0.00 55.36 53.73 1xn3 s GLN 153 Cb -0.12 -2.64 -0.04 0.00 1.10 0.00 0.00 33.01 31.31 1xn3 s GLN 153 CO 0.02 -0.92 0.41 -0.51 -0.55 0.00 0.00 175.29 173.73 1xn3 s LEU 154 N 1.25 4.17 -0.38 3.68 1.43 -1.26 -0.47 118.68 127.09 1xn3 s LEU 154 Ca 0.09 0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 53.65 1xn3 s LEU 154 Cb -0.18 -2.53 0.06 0.00 0.03 0.00 0.00 46.19 43.56 1xn3 s LEU 154 CO -0.15 -0.07 0.19 0.00 0.23 0.00 0.00 176.35 176.55 1xn3 s GLY 156 N 1.75 2.81 0.15 0.00 0.00 -1.26 -4.69 107.32 106.07 1xn3 s GLY 156 Ca 0.01 0.55 0.06 0.00 0.00 0.00 0.00 44.72 45.34 1xn3 s GLY 156 CO 0.03 1.00 1.33 0.00 0.00 0.00 0.00 173.10 175.46 1xn3 h ALA 157 N 3.15 0.45 0.00 3.20 0.00 -1.93 -3.44 119.26 120.69 1xn3 h ALA 157 Ca -0.47 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 53.62 1xn3 h ALA 157 Cb 1.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1xn3 h ALA 157 CO 0.65 1.10 0.00 0.41 0.00 0.00 0.00 179.25 181.41 1xn3 n GLY 158 N 1.12 0.50 3.29 0.00 0.00 -1.26 -5.00 105.19 103.84 1xn3 n GLY 158 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.19 0.32 0.48 1.61 -0.71 -1.26 -4.85 117.98 111.38 1xn3 s PHE 159 Ca 0.00 -0.70 -0.22 0.00 -1.04 0.00 0.00 56.93 54.97 1xn3 s PHE 159 Cb 0.00 -0.06 -0.07 0.00 -1.21 0.00 0.00 43.02 41.68 1xn3 s PHE 159 CO 0.00 -0.66 1.17 -1.25 -1.34 0.00 0.00 175.22 173.15 1xn3 s PRO 160 N -3.93 3.62 -0.10 1.99 0.04 -1.26 -4.91 135.00 130.44 1xn3 s PRO 160 Ca 0.13 1.78 0.04 0.00 0.04 0.00 0.00 61.00 62.99 1xn3 s PRO 160 Cb 0.04 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1xn3 s PRO 160 CO -0.04 -0.67 -0.24 -0.51 0.04 0.00 0.00 177.00 175.59 1xn3 s LEU 161 N -3.22 2.08 0.72 -3.56 1.43 -1.26 -5.01 118.68 109.85 1xn3 s LEU 161 Ca 0.66 -0.56 -0.07 0.00 -1.03 0.00 0.00 54.13 53.13 1xn3 s LEU 161 Cb -0.29 -1.40 0.06 0.00 0.03 0.00 0.00 46.19 44.60 1xn3 s LEU 161 CO 0.34 0.16 1.04 0.54 0.23 0.00 0.00 176.35 178.65 1xn3 s ASN 162 N 0.36 4.76 0.31 2.29 6.03 -1.26 -4.73 114.94 122.71 1xn3 s ASN 162 Ca -0.19 0.49 0.08 0.00 -1.03 0.00 0.00 52.86 52.21 1xn3 s ASN 162 Cb -0.18 -1.11 0.90 0.00 -3.03 0.00 0.00 41.25 37.82 1xn3 s ASN 162 CO 0.09 -1.64 1.64 -0.61 -2.03 0.00 0.00 177.10 174.54 1xn3 h GLN 163 N -0.66 0.22 -0.07 3.55 5.75 -2.00 0.93 115.11 122.82 1xn3 h GLN 163 Ca -0.45 -0.01 -0.11 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 0.61 0.14 -0.46 1.03 -2.65 0.00 0.00 178.83 177.50 1xn3 h SER 164 N 0.22 0.19 0.11 -0.69 0.87 -2.00 -3.12 113.55 109.13 1xn3 h SER 164 Ca 0.64 -0.09 -0.24 0.00 -1.23 0.00 0.00 61.79 60.87 1xn3 h SER 164 Cb 1.40 -0.05 0.03 0.00 -0.44 0.00 0.00 62.40 63.33 1xn3 h SER 164 CO -0.67 0.63 -1.02 -0.33 -0.53 0.00 0.00 176.83 174.92 1xn3 h GLU 165 N 0.15 0.49 -0.92 2.24 5.08 -1.19 -2.69 114.58 117.73 1xn3 h GLU 165 Ca 0.01 -0.68 0.04 0.00 -1.00 0.00 0.00 59.36 57.73 1xn3 h GLU 165 Cb 0.88 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 1xn3 h GLU 165 CO 0.07 1.29 0.60 0.28 -1.00 0.00 0.00 179.01 180.26 1xn3 h VAL 166 N 0.01 1.13 -0.53 3.13 2.07 -1.42 0.23 116.25 120.87 1xn3 h VAL 166 Ca -0.16 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 1xn3 h VAL 166 Cb 1.74 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1xn3 h VAL 166 CO 0.19 0.21 0.14 -0.07 0.02 0.00 0.00 177.57 178.06 1xn3 h LEU 167 N 1.13 0.79 -0.42 2.57 3.38 -1.57 -3.16 115.31 118.04 1xn3 h LEU 167 Ca 0.37 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1xn3 h LEU 167 Cb 0.06 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1xn3 h LEU 167 CO -0.12 0.81 -0.29 0.00 0.09 0.00 0.00 178.44 178.92 1xn3 n ALA 168 N -2.39 3.15 -2.82 1.53 0.00 -0.82 -4.94 120.51 114.23 1xn3 n ALA 168 Ca 0.02 -0.40 -0.26 0.00 0.00 0.00 0.00 53.44 52.80 1xn3 n ALA 168 Cb 0.22 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.57 5.65 -0.25 0.00 1.04 0.73 -5.06 113.70 113.24 1xn3 s SER 169 Ca 0.22 -0.08 -0.28 0.00 0.48 0.00 0.00 55.95 56.30 1xn3 s SER 169 Cb 0.19 -1.52 0.01 0.00 0.10 0.00 0.00 66.02 64.80 1xn3 s SER 169 CO 0.55 0.06 0.98 -0.69 0.98 0.00 0.00 173.24 175.12 1xn3 s VAL 170 N -1.75 4.71 -2.57 5.02 1.01 -1.26 -4.73 120.40 120.82 1xn3 s VAL 170 Ca 0.32 1.84 0.27 0.00 0.00 0.00 0.00 61.98 64.40 1xn3 s VAL 170 Cb -0.10 -4.26 0.47 0.00 0.00 0.00 0.00 36.38 32.48 1xn3 s VAL 170 CO 0.24 -0.19 1.64 0.61 0.00 0.00 0.00 175.10 177.40 1xn3 n GLY 171 N 3.54 0.18 0.00 4.51 0.00 0.10 -4.87 105.19 108.65 1xn3 n GLY 171 Ca 0.10 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 1.22 0.86 2.95 -0.02 0.00 -1.19 -0.44 105.19 108.56 1xn3 n GLY 172 Ca 0.18 -1.98 -0.14 0.00 0.00 0.00 0.00 46.02 44.08 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 0.45 -0.28 1.61 0.01 0.38 -1.12 113.70 110.76 1xn3 s SER 173 Ca 0.00 -0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.13 1xn3 s SER 173 Cb 0.00 -0.02 0.07 0.00 0.21 0.00 0.00 66.02 66.28 1xn3 s SER 173 CO 0.00 -0.02 -0.05 -0.32 0.41 0.00 0.00 173.24 173.26 1xn3 s MET 174 N -0.39 1.86 -0.42 12.44 0.00 -1.26 -0.92 119.30 130.61 1xn3 s MET 174 Ca -0.01 -1.39 -0.18 0.00 0.00 0.00 0.00 55.69 54.10 1xn3 s MET 174 Cb -0.03 -2.87 0.02 0.00 0.00 0.00 0.00 34.83 31.95 1xn3 s MET 174 CO -0.00 -0.68 0.48 0.42 0.00 0.00 0.00 175.02 175.24 1xn3 s ILE 175 N 1.14 5.03 -0.24 10.11 -1.09 0.14 -4.84 121.20 131.45 1xn3 s ILE 175 Ca -0.03 -0.19 -0.22 0.00 -2.23 0.00 0.00 60.65 57.98 1xn3 s ILE 175 Cb -0.19 -4.07 -0.02 0.00 -1.58 0.00 0.00 42.46 36.60 1xn3 s ILE 175 CO -0.07 -0.44 0.69 -0.63 -1.23 0.00 0.00 174.94 173.26 1xn3 s ILE 176 N 2.30 4.95 0.00 2.92 1.09 -1.26 -1.33 121.20 129.87 1xn3 s ILE 176 Ca 0.15 1.27 0.00 0.00 -1.10 0.00 0.00 60.65 60.96 1xn3 s ILE 176 Cb -0.16 -3.99 0.00 0.00 -1.06 0.00 0.00 42.46 37.25 1xn3 s ILE 176 CO 0.15 0.02 0.00 0.61 -0.10 0.00 0.00 174.94 175.61 1xn3 n GLY 177 N 3.98 0.75 0.00 6.18 0.00 0.11 -4.77 105.19 111.44 1xn3 n GLY 177 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.31 1.57 2.88 -0.02 0.00 -1.25 -4.38 105.19 101.68 1xn3 n GLY 178 Ca 0.00 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.63 0.59 -0.34 -0.61 1.01 -1.26 -3.99 121.20 113.97 1xn3 s ILE 179 Ca 0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 60.65 60.44 1xn3 s ILE 179 Cb 0.00 -0.63 0.01 0.00 0.01 0.00 0.00 42.46 41.85 1xn3 s ILE 179 CO 0.00 0.25 0.16 -0.62 0.00 0.00 0.00 174.94 174.74 1xn3 s ASP 180 N 1.17 5.55 0.66 3.58 2.15 -1.26 -4.06 116.67 124.46 1xn3 s ASP 180 Ca -0.07 -0.77 0.41 0.00 0.43 0.00 0.00 52.55 52.55 1xn3 s ASP 180 Cb -0.14 -1.99 2.26 0.00 -0.30 0.00 0.00 42.92 42.75 1xn3 s ASP 180 CO -0.01 -0.28 2.30 0.45 -0.17 0.00 0.00 175.17 177.46 1xn3 h HIS 181 N 8.36 0.00 0.00 -5.34 3.86 -1.81 -1.89 115.15 118.33 1xn3 h HIS 181 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 1xn3 h HIS 181 Cb 1.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 1xn3 h HIS 181 CO 0.61 0.00 0.00 0.66 0.86 0.00 0.00 177.93 180.06 1xn3 h SER 182 N 0.00 0.00 0.30 2.45 4.64 -1.94 -3.21 113.55 115.80 1xn3 h SER 182 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xn3 h SER 182 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1xn3 h SER 182 CO -0.00 0.00 -0.06 0.18 -0.87 0.00 0.00 176.83 176.08 1xn3 n LEU 183 N -2.41 0.39 -4.00 5.97 4.77 -0.71 -4.79 117.00 116.21 1xn3 n LEU 183 Ca 0.03 0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 1xn3 n LEU 183 Cb 0.30 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 1xn3 n LEU 183 CO 0.24 0.07 0.18 -0.72 -1.33 0.00 0.00 177.39 175.83 1xn3 s TYR 184 N -2.37 0.39 0.14 -1.77 1.13 -1.21 -1.37 117.35 112.29 1xn3 s TYR 184 Ca 0.33 -0.75 0.04 0.00 -1.41 0.00 0.00 57.07 55.28 1xn3 s TYR 184 Cb 0.20 0.18 -0.04 0.00 -1.10 0.00 0.00 41.96 41.21 1xn3 s TYR 184 CO 0.44 -1.00 -0.10 0.95 -2.51 0.00 0.00 175.55 173.33 1xn3 s THR 185 N -3.96 1.14 0.00 -3.49 -4.23 -0.87 -4.81 115.64 99.42 1xn3 s THR 185 Ca 0.23 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 1xn3 s THR 185 Cb -0.01 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 72.04 1xn3 s THR 185 CO 0.09 -0.72 0.00 0.61 -0.54 0.00 0.00 174.62 174.06 1xn3 n GLY 186 N -0.10 -0.67 3.94 3.99 0.00 -1.26 -3.68 105.19 107.41 1xn3 n GLY 186 Ca -0.11 -1.14 -0.24 0.00 0.00 0.00 0.00 46.02 44.53 1xn3 n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xn3 s SER 187 N -4.00 6.25 -0.14 1.61 0.01 -1.26 -4.97 113.70 111.20 1xn3 s SER 187 Ca 0.00 0.11 -0.16 0.00 1.31 0.00 0.00 55.95 57.21 1xn3 s SER 187 Cb 0.00 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.34 1xn3 s SER 187 CO 0.00 0.01 0.38 -0.76 0.41 0.00 0.00 173.24 173.28 1xn3 s LEU 188 N -3.49 4.26 -0.08 2.44 1.43 -1.26 -4.42 118.68 117.57 1xn3 s LEU 188 Ca 0.34 0.66 0.04 0.00 -1.03 0.00 0.00 54.13 54.14 1xn3 s LEU 188 Cb -0.10 -2.53 -0.01 0.00 0.03 0.00 0.00 46.19 43.58 1xn3 s LEU 188 CO 0.28 0.06 -0.21 0.26 0.23 0.00 0.00 176.35 176.96 1xn3 s TRP 189 N 0.52 2.56 -0.09 0.29 0.52 0.12 -4.88 118.94 117.97 1xn3 s TRP 189 Ca 0.21 -0.69 -0.02 0.00 0.02 0.00 0.00 56.10 55.63 1xn3 s TRP 189 Cb -0.14 -1.66 -0.03 0.00 -1.15 0.00 0.00 33.47 30.48 1xn3 s TRP 189 CO 0.07 -0.20 -0.02 0.71 0.02 0.00 0.00 176.95 177.53 1xn3 s TYR 190 N -0.07 3.08 0.08 -1.98 1.51 -1.26 -0.48 117.35 118.24 1xn3 s TYR 190 Ca -0.05 0.08 0.09 0.00 -1.01 0.00 0.00 57.07 56.17 1xn3 s TYR 190 Cb -0.14 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 1xn3 s TYR 190 CO 0.04 0.35 -0.22 -0.08 -1.11 0.00 0.00 175.55 174.54 1xn3 s THR 191 N -0.66 2.55 0.46 -0.71 -1.32 -0.33 -3.33 115.64 112.30 1xn3 s THR 191 Ca 0.10 -1.46 -0.22 0.00 -1.21 0.00 0.00 61.69 58.90 1xn3 s THR 191 Cb -0.12 -2.10 -0.08 0.00 -1.51 0.00 0.00 72.50 68.70 1xn3 s THR 191 CO 0.02 0.22 1.12 -2.84 -2.21 0.00 0.00 174.62 170.93 1xn3 s PRO 192 N -1.75 3.79 -0.40 7.08 0.02 -1.26 -0.13 135.00 142.35 1xn3 s PRO 192 Ca 0.15 1.66 -0.24 0.00 0.02 0.00 0.00 61.00 62.58 1xn3 s PRO 192 Cb -0.10 -2.34 0.02 0.00 0.02 0.00 0.00 34.50 32.09 1xn3 s PRO 192 CO 0.06 -0.50 0.86 0.42 -0.33 0.00 0.00 177.00 177.51 1xn3 s ILE 193 N -1.64 4.62 0.22 2.83 1.01 -0.41 -4.57 121.20 123.25 1xn3 s ILE 193 Ca 0.64 0.89 -0.09 0.00 0.00 0.00 0.00 60.65 62.09 1xn3 s ILE 193 Cb -0.25 -4.31 0.18 0.00 0.01 0.00 0.00 42.46 38.08 1xn3 s ILE 193 CO 0.31 -0.59 1.88 -0.09 0.00 0.00 0.00 174.94 176.45 1xn3 h ARG 194 N 8.67 1.01 -2.64 2.79 2.43 -1.29 -3.45 114.38 121.90 1xn3 h ARG 194 Ca -0.24 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.76 1xn3 h ARG 194 Cb 1.08 -0.23 -0.23 0.00 -0.42 0.00 0.00 29.97 30.18 1xn3 h ARG 194 CO 0.96 0.67 -0.18 0.50 -1.51 0.00 0.00 179.97 180.41 1xn3 s ARG 195 N -6.12 0.56 -1.07 0.20 3.52 -1.26 -5.08 118.95 109.69 1xn3 s ARG 195 Ca -0.13 0.57 -0.18 0.00 -0.13 0.00 0.00 55.73 55.86 1xn3 s ARG 195 Cb 0.16 0.27 0.11 0.00 -1.56 0.00 0.00 34.95 33.93 1xn3 s ARG 195 CO 0.78 -0.08 1.36 -1.21 -0.81 0.00 0.00 175.30 175.35 1xn3 s GLU 196 N 0.10 3.78 0.00 5.12 2.02 -1.26 -3.98 118.70 124.48 1xn3 s GLU 196 Ca -0.01 -1.86 0.00 0.00 0.02 0.00 0.00 54.97 53.12 1xn3 s GLU 196 Cb -0.03 -5.14 0.00 0.00 0.10 0.00 0.00 34.13 29.06 1xn3 s GLU 196 CO 0.01 -1.94 0.00 -2.67 0.02 0.00 0.00 175.26 170.69 1xn3 n TRP 197 N 7.09 0.00 -2.28 1.61 4.27 -1.26 -4.60 117.44 122.27 1xn3 n TRP 197 Ca 0.33 0.00 -0.26 0.00 -3.89 0.00 0.00 57.50 53.67 1xn3 n TRP 197 Cb 0.47 0.00 0.13 0.00 -1.36 0.00 0.00 31.31 30.55 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 0.00 1.85 -1.02 -2.67 2.02 -1.26 -1.92 117.35 114.34 1xn3 s TYR 198 Ca 0.00 0.07 -0.19 0.00 -0.37 0.00 0.00 57.07 56.59 1xn3 s TYR 198 Cb 0.00 -3.44 0.12 0.00 -0.40 0.00 0.00 41.96 38.24 1xn3 s TYR 198 CO 0.00 -1.99 1.28 0.71 -1.57 0.00 0.00 175.55 173.99 1xn3 s TYR 199 N -3.43 3.06 0.05 2.71 1.51 -1.26 -4.84 117.35 115.15 1xn3 s TYR 199 Ca 0.68 -1.45 -0.22 0.00 -1.01 0.00 0.00 57.07 55.07 1xn3 s TYR 199 Cb -0.06 -4.40 -0.06 0.00 -0.11 0.00 0.00 41.96 37.34 1xn3 s TYR 199 CO 0.47 -1.57 0.67 -2.00 -1.11 0.00 0.00 175.55 172.01 1xn3 s GLU 200 N 3.00 4.39 0.40 -0.62 2.12 -1.26 -1.93 118.70 124.81 1xn3 s GLU 200 Ca 0.38 0.90 0.05 0.00 0.36 0.00 0.00 54.97 56.67 1xn3 s GLU 200 Cb -0.03 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 31.02 1xn3 s GLU 200 CO -0.07 0.42 0.18 0.14 -0.54 0.00 0.00 175.26 175.40 1xn3 s VAL 201 N -0.45 0.37 -0.13 3.70 -7.23 0.04 -0.80 120.40 115.89 1xn3 s VAL 201 Ca 0.34 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.50 1xn3 s VAL 201 Cb -0.20 -2.33 0.03 0.00 0.56 0.00 0.00 36.38 34.44 1xn3 s VAL 201 CO 0.21 0.00 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.28 1xn3 s ILE 202 N -3.23 1.16 -0.12 -0.62 1.01 -1.26 -4.14 121.20 114.00 1xn3 s ILE 202 Ca 0.27 -0.45 -0.19 0.00 0.00 0.00 0.00 60.65 60.28 1xn3 s ILE 202 Cb 0.01 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 1xn3 s ILE 202 CO 0.19 0.32 0.50 -0.63 0.00 0.00 0.00 174.94 175.32 1xn3 s ILE 203 N 1.64 5.17 -0.39 2.92 1.01 -1.26 -2.18 121.20 128.12 1xn3 s ILE 203 Ca 0.04 1.00 0.13 0.00 0.00 0.00 0.00 60.65 61.82 1xn3 s ILE 203 Cb -0.13 -3.84 -0.16 0.00 0.01 0.00 0.00 42.46 38.33 1xn3 s ILE 203 CO -0.09 0.31 0.45 1.33 0.00 0.00 0.00 174.94 176.95 1xn3 n VAL 204 N 3.72 0.00 -3.56 2.92 0.24 0.42 -4.73 118.33 117.34 1xn3 n VAL 204 Ca -0.06 -0.24 -0.15 0.00 -2.04 0.00 0.00 64.34 61.85 1xn3 n VAL 204 Cb 0.52 0.70 -0.06 0.00 -1.47 0.00 0.00 33.84 33.53 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 -2.48 0.85 -0.05 7.34 3.52 -1.24 -4.74 118.95 122.15 1xn3 s ARG 205 Ca 0.01 0.38 0.02 0.00 -0.13 0.00 0.00 55.73 56.01 1xn3 s ARG 205 Cb 0.09 0.41 0.02 0.00 -1.56 0.00 0.00 34.95 33.91 1xn3 s ARG 205 CO 0.54 -0.23 -0.08 0.08 -0.81 0.00 0.00 175.30 174.80 1xn3 s VAL 206 N -0.79 0.79 0.13 7.11 1.01 -1.26 -0.55 120.40 126.84 1xn3 s VAL 206 Ca -0.06 -0.28 0.09 0.00 0.00 0.00 0.00 61.98 61.74 1xn3 s VAL 206 Cb -0.01 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1xn3 s VAL 206 CO 0.05 0.28 -0.22 -1.61 0.00 0.00 0.00 175.10 173.60 1xn3 s GLU 207 N 0.75 1.25 -0.23 2.72 2.02 -0.31 -0.92 118.70 123.97 1xn3 s GLU 207 Ca -0.12 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.58 1xn3 s GLU 207 Cb -0.15 -1.52 0.06 0.00 0.10 0.00 0.00 34.13 32.62 1xn3 s GLU 207 CO 0.02 0.35 -0.04 0.42 0.02 0.00 0.00 175.26 176.03 1xn3 s ILE 208 N -1.36 1.36 -1.36 -1.63 -1.09 -0.43 -1.55 121.20 115.14 1xn3 s ILE 208 Ca 0.11 -1.12 -0.00 0.00 -2.23 0.00 0.00 60.65 57.41 1xn3 s ILE 208 Cb -0.09 -1.67 -0.00 0.00 -1.58 0.00 0.00 42.46 39.12 1xn3 s ILE 208 CO 0.06 -0.13 0.55 0.59 -1.23 0.00 0.00 174.94 174.78 1xn3 n ASN 209 N 4.73 -0.74 0.00 3.58 5.03 -0.30 -1.46 115.26 126.10 1xn3 n ASN 209 Ca -0.11 -0.92 0.00 0.00 0.87 0.00 0.00 54.58 54.42 1xn3 n ASN 209 Cb 0.44 -3.54 0.00 0.00 -1.02 0.00 0.00 39.78 35.67 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 2.41 3.60 7.41 0.00 -1.26 -4.97 105.19 110.60 1xn3 n GLY 210 Ca -0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 3.93 0.20 1.61 0.74 -0.53 -4.98 119.66 120.63 1xn3 s GLN 211 Ca 0.00 0.30 -0.32 0.00 0.05 0.00 0.00 55.36 55.39 1xn3 s GLN 211 Cb 0.00 -3.71 -0.12 0.00 1.10 0.00 0.00 33.01 30.28 1xn3 s GLN 211 CO 0.00 -0.52 1.74 0.34 -0.55 0.00 0.00 175.29 176.30 1xn3 s ASP 212 N 1.61 6.38 0.55 6.67 2.15 -1.26 -1.31 116.67 131.46 1xn3 s ASP 212 Ca 0.24 2.85 0.34 0.00 0.43 0.00 0.00 52.55 56.42 1xn3 s ASP 212 Cb -0.15 -2.59 1.48 0.00 -0.30 0.00 0.00 42.92 41.36 1xn3 s ASP 212 CO 0.11 -0.98 2.02 0.25 -0.17 0.00 0.00 175.17 176.40 1xn3 h LEU 213 N 7.09 0.00 -2.68 -1.34 5.85 -1.41 -3.47 115.31 119.35 1xn3 h LEU 213 Ca -0.43 0.00 -0.44 0.00 0.84 0.00 0.00 57.88 57.84 1xn3 h LEU 213 Cb 1.20 0.00 0.05 0.00 0.37 0.00 0.00 40.66 42.28 1xn3 h LEU 213 CO 0.96 0.00 -0.91 1.17 -0.34 0.00 0.00 178.44 179.32 1xn3 n LYS 214 N -3.03 -2.26 -4.31 1.25 4.81 -1.26 -5.01 118.16 108.35 1xn3 n LYS 214 Ca 0.00 0.47 -0.23 0.00 -0.87 0.00 0.00 58.31 57.68 1xn3 n LYS 214 Cb 0.27 -4.40 -0.07 0.00 0.02 0.00 0.00 35.03 30.84 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 -6.09 2.24 0.15 1.64 -1.94 -1.26 -5.05 119.30 109.00 1xn3 s MET 215 Ca 0.29 -1.44 -0.31 0.00 -1.71 0.00 0.00 55.69 52.51 1xn3 s MET 215 Cb -0.10 -2.13 -0.11 0.00 2.01 0.00 0.00 34.83 34.50 1xn3 s MET 215 CO 0.86 0.36 1.81 0.34 -0.01 0.00 0.00 175.02 178.38 1xn3 s ASP 216 N -3.66 6.40 0.66 3.03 3.68 -1.26 -4.83 116.67 120.69 1xn3 s ASP 216 Ca 0.31 2.81 0.36 0.00 2.13 0.00 0.00 52.55 58.17 1xn3 s ASP 216 Cb -0.06 -2.58 1.97 0.00 -1.45 0.00 0.00 42.92 40.80 1xn3 s ASP 216 CO 0.19 -1.00 2.14 0.00 0.13 0.00 0.00 175.17 176.63 1xn3 h LYS 218 N 0.00 0.16 -0.57 0.00 1.57 -1.80 -1.98 116.57 113.95 1xn3 h LYS 218 Ca 0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1xn3 h LYS 218 Cb 0.37 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1xn3 h LYS 218 CO -0.00 0.27 0.36 0.93 -0.57 0.00 0.00 179.45 180.44 1xn3 h GLU 219 N 0.16 0.75 0.00 3.15 4.39 -1.43 0.18 114.58 121.78 1xn3 h GLU 219 Ca 0.03 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 1xn3 h GLU 219 Cb 0.27 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1xn3 h GLU 219 CO 0.01 0.51 -0.21 1.88 -1.16 0.00 0.00 179.01 180.05 1xn3 h TYR 220 N 0.77 0.00 -0.07 4.33 0.99 -1.50 -2.57 116.97 118.92 1xn3 h TYR 220 Ca 0.21 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.93 1xn3 h TYR 220 Cb -0.07 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 37.66 1xn3 h TYR 220 CO 0.00 0.21 -0.03 0.09 -0.00 0.00 0.00 178.16 178.43 1xn3 n ASN 221 N -3.90 2.69 -4.57 3.88 3.02 -0.64 -4.33 115.26 111.41 1xn3 n ASN 221 Ca -0.02 -3.13 -0.39 0.00 -0.03 0.00 0.00 54.58 51.01 1xn3 n ASN 221 Cb 0.30 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 1xn3 n ASN 221 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1xn3 s TYR 222 N -2.90 1.14 0.00 3.10 5.04 0.53 -1.02 117.35 123.24 1xn3 s TYR 222 Ca 0.35 1.14 0.00 0.00 -2.44 0.00 0.00 57.07 56.12 1xn3 s TYR 222 Cb 0.30 -3.74 0.00 0.00 0.35 0.00 0.00 41.96 38.88 1xn3 s TYR 222 CO 0.04 -3.13 0.00 -3.47 -1.34 0.00 0.00 175.55 167.64 1xn3 n ASP 223 N 14.12 0.00 -3.65 4.32 4.64 -1.26 -3.51 116.55 131.21 1xn3 n ASP 223 Ca 0.33 0.00 -0.03 0.00 -1.38 0.00 0.00 54.79 53.71 1xn3 n ASP 223 Cb 0.51 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.58 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 0.80 -0.07 -0.67 -2.85 -0.19 -4.72 119.74 112.05 1xn3 s LYS 224 Ca 0.00 -0.40 0.02 0.00 -1.00 0.00 0.00 55.97 54.58 1xn3 s LYS 224 Cb 0.00 0.30 0.02 0.00 -2.06 0.00 0.00 37.83 36.08 1xn3 s LYS 224 CO 0.00 -0.36 -0.10 -1.12 0.10 0.00 0.00 175.35 173.87 1xn3 s SER 225 N -2.77 1.67 0.17 0.03 0.01 -1.26 -0.60 113.70 110.95 1xn3 s SER 225 Ca 0.11 -0.27 0.03 0.00 1.31 0.00 0.00 55.95 57.14 1xn3 s SER 225 Cb 0.00 -0.76 -0.05 0.00 0.21 0.00 0.00 66.02 65.43 1xn3 s SER 225 CO -0.02 -0.00 -0.04 0.27 0.41 0.00 0.00 173.24 173.85 1xn3 s ILE 226 N 0.85 0.94 -0.25 1.44 -4.36 -0.89 -0.78 121.20 118.15 1xn3 s ILE 226 Ca -0.11 -2.02 -0.07 0.00 -0.26 0.00 0.00 60.65 58.19 1xn3 s ILE 226 Cb -0.15 -2.06 -0.02 0.00 1.25 0.00 0.00 42.46 41.48 1xn3 s ILE 226 CO 0.01 -0.55 0.05 -0.69 0.24 0.00 0.00 174.94 174.00 1xn3 s VAL 227 N -3.48 4.10 -0.26 8.37 1.01 -0.81 -1.06 120.40 128.26 1xn3 s VAL 227 Ca 0.22 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 1xn3 s VAL 227 Cb 0.05 -2.92 0.08 0.00 0.00 0.00 0.00 36.38 33.59 1xn3 s VAL 227 CO 0.03 0.34 0.08 -0.62 0.00 0.00 0.00 175.10 174.94 1xn3 s ASP 228 N 1.58 3.46 0.26 3.32 2.15 -0.49 -4.43 116.67 122.52 1xn3 s ASP 228 Ca 0.06 -1.23 0.24 0.00 0.43 0.00 0.00 52.55 52.05 1xn3 s ASP 228 Cb -0.15 -0.64 0.98 0.00 -0.30 0.00 0.00 42.92 42.82 1xn3 s ASP 228 CO 0.02 -0.38 1.71 -1.54 -0.17 0.00 0.00 175.17 174.82 1xn3 n SER 229 N 5.02 0.68 -0.89 -0.34 3.41 -1.26 -2.53 113.62 117.71 1xn3 n SER 229 Ca -0.06 0.67 0.06 0.00 -0.26 0.00 0.00 58.87 59.28 1xn3 n SER 229 Cb 0.44 -0.81 0.19 0.00 -0.26 0.00 0.00 64.21 63.78 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 0.01 1.28 3.19 5.00 0.00 -1.26 -4.58 105.19 108.82 1xn3 n GLY 230 Ca 0.02 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.57 1.70 -0.02 2.61 2.01 -1.05 -5.02 115.64 114.29 1xn3 s THR 231 Ca 0.28 -0.86 -0.22 0.00 0.31 0.00 0.00 61.69 61.20 1xn3 s THR 231 Cb 0.17 -1.45 -0.15 0.00 0.01 0.00 0.00 72.50 71.08 1xn3 s THR 231 CO 0.17 0.48 1.01 0.74 -0.69 0.00 0.00 174.62 176.33 1xn3 h THR 232 N 5.24 0.63 -3.13 -0.82 2.02 -1.87 0.44 112.91 115.41 1xn3 h THR 232 Ca -0.31 -0.78 -0.46 0.00 0.77 0.00 0.00 66.41 65.63 1xn3 h THR 232 Cb 1.18 0.98 0.11 0.00 -1.74 0.00 0.00 68.15 68.67 1xn3 h THR 232 CO 0.47 0.13 0.24 0.20 0.37 0.00 0.00 175.52 176.93 1xn3 s ASN 233 N -5.17 4.06 -0.30 4.18 0.01 -1.26 -1.08 114.94 115.37 1xn3 s ASN 233 Ca -0.13 0.03 -0.17 0.00 -0.71 0.00 0.00 52.86 51.88 1xn3 s ASN 233 Cb 0.01 -0.37 -0.02 0.00 0.41 0.00 0.00 41.25 41.28 1xn3 s ASN 233 CO 0.47 -2.08 0.47 -0.22 -1.51 0.00 0.00 177.10 174.24 1xn3 s LEU 234 N -5.41 4.17 -0.11 0.60 0.20 -0.61 -1.92 118.68 115.59 1xn3 s LEU 234 Ca 0.67 0.24 -0.01 0.00 0.69 0.00 0.00 54.13 55.73 1xn3 s LEU 234 Cb -0.06 -2.56 -0.02 0.00 -0.43 0.00 0.00 46.19 43.11 1xn3 s LEU 234 CO 0.47 -0.33 -0.09 -0.13 -0.29 0.00 0.00 176.35 175.98 1xn3 s ARG 235 N 2.27 3.23 0.09 1.98 0.52 -0.22 -1.75 118.95 125.07 1xn3 s ARG 235 Ca 0.18 -0.61 0.08 0.00 -0.52 0.00 0.00 55.73 54.87 1xn3 s ARG 235 Cb -0.16 -2.68 -0.03 0.00 0.52 0.00 0.00 34.95 32.60 1xn3 s ARG 235 CO 0.11 0.37 -0.22 -0.51 0.02 0.00 0.00 175.30 175.07 1xn3 s LEU 236 N -0.03 2.26 0.54 2.53 1.43 -0.13 -0.07 118.68 125.20 1xn3 s LEU 236 Ca -0.01 -0.64 -0.22 0.00 -1.03 0.00 0.00 54.13 52.23 1xn3 s LEU 236 Cb -0.14 -0.97 -0.06 0.00 0.03 0.00 0.00 46.19 45.05 1xn3 s LEU 236 CO 0.03 0.11 1.23 -2.65 0.23 0.00 0.00 176.35 175.31 1xn3 n PRO 237 N 1.32 1.50 -0.35 1.29 -0.02 -1.26 0.22 135.00 137.69 1xn3 n PRO 237 Ca -0.19 0.55 -0.01 0.00 -2.02 0.00 0.00 63.50 61.84 1xn3 n PRO 237 Cb 0.53 -2.42 0.04 0.00 -0.02 0.00 0.00 33.50 31.64 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 -0.83 -0.21 -0.28 -0.52 4.81 -1.16 -0.04 118.16 119.93 1xn3 n LYS 238 Ca 0.11 1.42 -0.05 0.00 -0.87 0.00 0.00 58.31 58.92 1xn3 n LYS 238 Cb 0.44 -2.11 0.06 0.00 0.02 0.00 0.00 35.03 33.45 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 1.06 -0.10 1.64 1.57 -1.93 -0.27 116.57 118.54 1xn3 h LYS 239 Ca 0.32 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1xn3 h LYS 239 Cb 0.56 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1xn3 h LYS 239 CO -0.92 0.78 -0.08 0.28 -0.57 0.00 0.00 179.45 178.94 1xn3 h VAL 240 N 1.05 1.34 -0.78 0.50 2.07 -1.48 -2.27 116.25 116.68 1xn3 h VAL 240 Ca 0.27 -1.17 0.12 0.00 0.82 0.00 0.00 66.70 66.74 1xn3 h VAL 240 Cb 0.02 1.89 -0.09 0.00 -1.52 0.00 0.00 31.29 31.60 1xn3 h VAL 240 CO -0.04 0.33 0.38 0.15 0.02 0.00 0.00 177.57 178.41 1xn3 h PHE 241 N -0.15 0.68 -0.47 1.57 3.57 -0.22 0.36 116.94 122.28 1xn3 h PHE 241 Ca 0.02 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.43 1xn3 h PHE 241 Cb 0.57 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1xn3 h PHE 241 CO 0.08 0.18 -0.17 0.93 -2.23 0.00 0.00 178.31 177.10 1xn3 h GLU 242 N 0.59 0.94 -0.45 1.11 4.39 -0.96 -0.86 114.58 119.34 1xn3 h GLU 242 Ca 0.41 -0.39 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 1xn3 h GLU 242 Cb 0.54 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1xn3 h GLU 242 CO -0.33 1.05 -0.19 0.00 -1.16 0.00 0.00 179.01 178.38 1xn3 h ALA 243 N 0.86 0.82 -0.01 3.43 0.00 -0.71 -2.16 119.26 121.50 1xn3 h ALA 243 Ca 0.11 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1xn3 h ALA 243 Cb 0.74 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xn3 h ALA 243 CO 0.06 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.96 1xn3 h ALA 244 N 1.01 0.01 -0.97 0.00 0.00 -0.16 -2.20 119.26 116.96 1xn3 h ALA 244 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xn3 h ALA 244 Cb 0.72 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1xn3 h ALA 244 CO 0.06 -0.39 0.61 0.28 0.00 0.00 0.00 179.25 179.80 1xn3 h VAL 245 N -0.18 1.26 -0.75 0.00 2.07 -1.11 0.25 116.25 117.79 1xn3 h VAL 245 Ca 0.00 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1xn3 h VAL 245 Cb 0.19 -0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 29.80 1xn3 h VAL 245 CO -0.00 0.26 0.44 0.50 0.02 0.00 0.00 177.57 178.79 1xn3 h LYS 246 N 1.32 1.02 -0.18 1.57 3.64 -1.30 0.17 116.57 122.81 1xn3 h LYS 246 Ca 0.35 -0.10 -0.16 0.00 -1.27 0.00 0.00 60.65 59.47 1xn3 h LYS 246 Cb -0.10 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.52 1xn3 h LYS 246 CO -0.07 0.73 -0.51 1.03 -2.27 0.00 0.00 179.45 178.37 1xn3 h SER 247 N 1.02 0.77 -0.70 4.20 0.87 -0.71 -1.23 113.55 117.77 1xn3 h SER 247 Ca 0.27 -0.58 -0.03 0.00 -1.23 0.00 0.00 61.79 60.21 1xn3 h SER 247 Cb -0.01 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.69 1xn3 h SER 247 CO -0.05 1.21 0.32 0.40 -0.53 0.00 0.00 176.83 178.19 1xn3 h ILE 248 N 0.36 1.23 -0.24 2.23 2.04 -0.29 -1.01 117.51 121.83 1xn3 h ILE 248 Ca -0.01 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1xn3 h ILE 248 Cb 1.12 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1xn3 h ILE 248 CO 0.11 0.28 0.09 0.11 0.00 0.00 0.00 178.15 178.75 1xn3 h LYS 249 N 1.02 0.36 -0.91 2.37 1.57 -0.57 -1.90 116.57 118.51 1xn3 h LYS 249 Ca 0.25 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1xn3 h LYS 249 Cb 0.13 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 1xn3 h LYS 249 CO -0.03 0.41 0.60 0.00 -0.57 0.00 0.00 179.45 179.86 1xn3 h ALA 250 N 0.93 1.37 0.00 3.86 0.00 -0.86 -1.39 119.26 123.18 1xn3 h ALA 250 Ca 0.08 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1xn3 h ALA 250 Cb 0.18 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1xn3 h ALA 250 CO -0.01 0.58 -0.37 0.00 0.00 0.00 0.00 179.25 179.45 1xn3 h ALA 251 N 1.44 1.15 -0.37 0.00 0.00 -0.85 -3.13 119.26 117.51 1xn3 h ALA 251 Ca 0.34 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xn3 h ALA 251 Cb -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1xn3 h ALA 251 CO -0.08 0.47 0.00 -1.13 0.00 0.00 0.00 179.25 178.51 1xn3 n SER 252 N -3.76 4.04 0.14 0.00 3.41 -0.74 -4.73 113.62 111.98 1xn3 n SER 252 Ca -0.01 -2.73 0.09 0.00 -0.26 0.00 0.00 58.87 55.96 1xn3 n SER 252 Cb 0.46 -0.50 0.47 0.00 -0.26 0.00 0.00 64.21 64.37 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 0.05 0.44 0.00 4.04 3.41 -0.56 -1.91 113.62 119.09 1xn3 n SER 253 Ca 0.21 0.68 0.05 0.00 -0.26 0.00 0.00 58.87 59.55 1xn3 n SER 253 Cb 0.84 -0.72 0.27 0.00 -0.26 0.00 0.00 64.21 64.34 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 -2.11 0.67 -3.91 6.66 -2.24 -1.26 -4.48 114.28 107.62 1xn3 n THR 254 Ca -0.01 0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.81 1xn3 n THR 254 Cb 0.09 -0.99 -0.14 0.00 -2.10 0.00 0.00 70.33 67.18 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 -2.52 0.07 -0.09 -0.78 2.02 -0.80 -5.15 118.70 111.44 1xn3 s GLU 255 Ca 0.11 -0.01 -0.01 0.00 0.02 0.00 0.00 54.97 55.07 1xn3 s GLU 255 Cb 0.07 -0.09 -0.03 0.00 0.10 0.00 0.00 34.13 34.18 1xn3 s GLU 255 CO 0.16 0.00 -0.04 0.15 0.02 0.00 0.00 175.26 175.55 1xn3 s LYS 256 N 0.08 3.04 0.13 1.61 -0.14 -1.26 -4.96 119.74 118.24 1xn3 s LYS 256 Ca -0.01 -0.51 0.08 0.00 -1.36 0.00 0.00 55.97 54.18 1xn3 s LYS 256 Cb -0.02 -2.72 -0.04 0.00 -1.68 0.00 0.00 37.83 33.38 1xn3 s LYS 256 CO -0.00 0.57 -0.20 -0.06 -0.76 0.00 0.00 175.35 174.89 1xn3 s PHE 257 N -0.53 1.80 0.67 3.18 0.40 -1.26 -5.13 117.98 117.11 1xn3 s PHE 257 Ca 0.08 -0.44 -0.17 0.00 -0.60 0.00 0.00 56.93 55.80 1xn3 s PHE 257 Cb -0.12 -0.95 0.00 0.00 0.51 0.00 0.00 43.02 42.46 1xn3 s PHE 257 CO 0.02 0.26 1.24 -1.25 0.70 0.00 0.00 175.22 176.19 1xn3 s PRO 258 N -2.27 2.48 0.36 0.24 0.04 -1.26 -4.91 135.00 129.68 1xn3 s PRO 258 Ca 0.10 1.89 0.08 0.00 0.04 0.00 0.00 61.00 63.12 1xn3 s PRO 258 Cb -0.08 -1.86 0.80 0.00 0.04 0.00 0.00 34.50 33.40 1xn3 s PRO 258 CO 0.05 -1.61 1.89 -0.44 0.04 0.00 0.00 177.00 176.94 1xn3 h ASP 259 N 0.28 0.65 -0.12 6.66 3.32 -2.00 -0.25 116.42 124.96 1xn3 h ASP 259 Ca -0.50 0.03 0.03 0.00 0.02 0.00 0.00 57.03 56.62 1xn3 h ASP 259 Cb 1.31 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1xn3 h ASP 259 CO 0.52 0.36 0.09 1.23 -1.72 0.00 0.00 179.24 179.71 1xn3 h GLY 260 N 0.70 0.02 0.76 2.75 0.00 -1.94 -1.26 103.07 104.11 1xn3 h GLY 260 Ca 0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 1xn3 h GLY 260 CO -0.17 0.00 -0.21 -2.75 0.00 0.00 0.00 176.54 173.41 1xn3 h PHE 261 N 0.01 -0.55 0.00 5.60 3.57 -1.18 -0.13 116.94 124.26 1xn3 h PHE 261 Ca 0.06 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1xn3 h PHE 261 Cb 0.21 0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1xn3 h PHE 261 CO -0.00 -0.24 0.00 -1.49 -2.23 0.00 0.00 178.31 174.35 1xn3 h TRP 262 N -0.84 0.00 -0.00 0.41 4.06 -1.42 0.37 115.95 118.53 1xn3 h TRP 262 Ca -0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.89 1xn3 h TRP 262 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.72 1xn3 h TRP 262 CO 0.00 0.00 -0.09 1.28 -3.56 0.00 0.00 178.44 176.07 1xn3 n LEU 263 N -3.07 0.37 -0.19 -4.49 4.77 -0.53 -4.89 117.00 108.97 1xn3 n LEU 263 Ca -0.03 0.07 -0.02 0.00 -0.03 0.00 0.00 56.01 56.00 1xn3 n LEU 263 Cb 0.10 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1xn3 n LEU 263 CO 0.21 0.07 -0.02 0.61 -1.33 0.00 0.00 177.39 176.92 1xn3 n GLY 264 N 1.28 0.58 0.13 -0.72 0.00 0.13 -4.92 105.19 101.67 1xn3 n GLY 264 Ca 0.14 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.57 0.65 -4.21 1.61 1.02 -0.14 -4.79 120.64 112.21 1xn3 n GLU 265 Ca -0.02 0.22 -0.30 0.00 -0.02 0.00 0.00 57.16 57.04 1xn3 n GLU 265 Cb 0.13 -1.57 -0.10 0.00 -0.02 0.00 0.00 31.44 29.88 1xn3 n GLU 265 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1xn3 s GLN 266 N -2.52 2.18 0.70 3.49 -2.07 -0.70 -4.97 119.66 115.77 1xn3 s GLN 266 Ca -0.33 -1.00 -0.09 0.00 -1.82 0.00 0.00 55.36 52.12 1xn3 s GLN 266 Cb 0.09 -2.34 0.03 0.00 -1.09 0.00 0.00 33.01 29.71 1xn3 s GLN 266 CO 0.61 0.51 1.05 -0.48 -1.32 0.00 0.00 175.29 175.66 1xn3 s LEU 267 N -2.23 2.89 -0.03 2.60 2.34 -1.26 -4.07 118.68 118.93 1xn3 s LEU 267 Ca 0.22 0.82 0.04 0.00 0.06 0.00 0.00 54.13 55.28 1xn3 s LEU 267 Cb -0.11 -3.54 -0.01 0.00 -0.56 0.00 0.00 46.19 41.97 1xn3 s LEU 267 CO 0.14 -1.43 -0.15 -0.69 -1.06 0.00 0.00 176.35 173.17 1xn3 s VAL 268 N -3.29 1.21 0.12 1.48 1.01 -0.32 -4.90 120.40 115.70 1xn3 s VAL 268 Ca 0.58 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 62.03 1xn3 s VAL 268 Cb -0.11 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1xn3 s VAL 268 CO 0.48 0.35 -0.20 0.00 0.00 0.00 0.00 175.10 175.73 1xn3 s TRP 270 N -1.36 0.85 0.36 0.00 0.51 -0.59 -4.99 118.94 113.71 1xn3 s TRP 270 Ca 0.08 -0.74 -0.27 0.00 -2.12 0.00 0.00 56.10 53.05 1xn3 s TRP 270 Cb -0.09 -0.49 -0.12 0.00 -0.81 0.00 0.00 33.47 31.96 1xn3 s TRP 270 CO 0.05 -0.10 1.29 1.04 -0.51 0.00 0.00 176.95 178.71 1xn3 n GLN 271 N 0.54 2.09 -1.67 4.98 6.02 -1.26 -1.29 117.38 126.79 1xn3 n GLN 271 Ca -0.16 0.73 -0.64 0.00 -0.01 0.00 0.00 57.00 56.92 1xn3 n GLN 271 Cb 0.58 -2.34 -0.09 0.00 1.02 0.00 0.00 30.24 29.41 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 0.22 -1.94 0.00 -1.58 0.00 -1.26 -0.31 120.51 115.63 1xn3 n ALA 272 Ca 0.05 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1xn3 n ALA 272 Cb 0.37 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.92 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 3.26 2.69 0.66 0.00 0.00 -1.26 -4.90 105.19 105.65 1xn3 n GLY 273 Ca 0.27 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.00 0.33 -1.66 2.61 -2.24 0.57 -4.95 114.28 106.93 1xn3 n THR 274 Ca 0.00 -0.44 -0.57 0.00 -2.27 0.00 0.00 64.05 60.77 1xn3 n THR 274 Cb 0.00 0.40 -0.07 0.00 -2.10 0.00 0.00 70.33 68.56 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 0.53 0.16 -2.06 4.28 -1.04 -1.26 -4.79 114.28 110.10 1xn3 n THR 275 Ca 0.16 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.72 1xn3 n THR 275 Cb 0.36 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 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 4.07 3.37 -0.29 -2.82 -0.04 -1.26 -4.77 135.00 133.26 1xn3 n PRO 276 Ca 0.24 -3.14 0.10 0.00 -0.04 0.00 0.00 63.50 60.66 1xn3 n PRO 276 Cb 0.12 -3.05 0.25 0.00 -0.04 0.00 0.00 33.50 30.78 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 5.77 0.55 -0.18 0.54 4.06 -1.96 -1.77 115.95 122.97 1xn3 h TRP 277 Ca 0.49 0.04 0.05 0.00 2.06 0.00 0.00 58.89 61.53 1xn3 h TRP 277 Cb 0.61 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.65 1xn3 h TRP 277 CO 1.36 -0.02 0.23 -2.95 -3.56 0.00 0.00 178.44 173.50 1xn3 h ASN 278 N 0.40 0.00 1.78 -3.49 7.08 -2.00 -1.32 115.58 118.02 1xn3 h ASN 278 Ca 0.50 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.72 1xn3 h ASN 278 Cb 0.87 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.11 1xn3 h ASN 278 CO -0.49 0.00 0.00 0.16 -2.08 0.00 0.00 177.43 175.02 1xn3 h ILE 279 N 0.00 0.00 -3.33 6.14 3.07 -1.68 -3.44 117.51 118.26 1xn3 h ILE 279 Ca 0.09 -0.85 -0.56 0.00 1.55 0.00 0.00 64.86 65.09 1xn3 h ILE 279 Cb 0.54 1.84 -0.04 0.00 -0.27 0.00 0.00 36.82 38.89 1xn3 h ILE 279 CO -0.00 0.00 0.00 -0.36 -1.05 0.00 0.00 178.15 176.74 1xn3 s PHE 280 N -3.25 3.77 0.58 0.16 0.08 -0.50 -3.74 117.98 115.07 1xn3 s PHE 280 Ca 0.07 1.30 -0.12 0.00 0.12 0.00 0.00 56.93 58.30 1xn3 s PHE 280 Cb 0.07 -2.53 -0.05 0.00 -0.57 0.00 0.00 43.02 39.94 1xn3 s PHE 280 CO 0.64 0.52 1.00 -1.25 -0.10 0.00 0.00 175.22 176.02 1xn3 s PRO 281 N -1.38 3.68 0.58 0.24 0.04 -1.26 -4.80 135.00 132.09 1xn3 s PRO 281 Ca 0.33 0.75 -0.08 0.00 0.04 0.00 0.00 61.00 62.04 1xn3 s PRO 281 Cb -0.19 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 1xn3 s PRO 281 CO 0.20 -0.46 0.93 0.14 0.04 0.00 0.00 177.00 177.85 1xn3 s VAL 282 N -3.00 4.39 -0.07 -0.36 -7.23 -1.26 -4.33 120.40 108.52 1xn3 s VAL 282 Ca 0.55 0.41 0.03 0.00 -1.81 0.00 0.00 61.98 61.16 1xn3 s VAL 282 Cb -0.11 -3.73 0.01 0.00 0.56 0.00 0.00 36.38 33.12 1xn3 s VAL 282 CO 0.48 -0.83 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.66 1xn3 s ILE 283 N -3.02 1.35 -0.10 -0.62 1.01 -0.49 -1.15 121.20 118.18 1xn3 s ILE 283 Ca 0.53 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.60 1xn3 s ILE 283 Cb -0.11 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 1xn3 s ILE 283 CO 0.49 0.40 -0.20 -0.44 0.00 0.00 0.00 174.94 175.19 1xn3 s SER 284 N 0.61 3.45 -0.20 3.58 0.01 -0.60 -0.68 113.70 119.88 1xn3 s SER 284 Ca -0.15 -0.45 -0.03 0.00 1.31 0.00 0.00 55.95 56.63 1xn3 s SER 284 Cb -0.16 -1.33 -0.01 0.00 0.21 0.00 0.00 66.02 64.73 1xn3 s SER 284 CO 0.05 0.19 -0.07 -0.76 0.41 0.00 0.00 173.24 173.05 1xn3 s LEU 285 N 0.18 2.79 -0.10 2.44 1.43 0.00 -1.17 118.68 124.25 1xn3 s LEU 285 Ca -0.12 -0.40 -0.17 0.00 -1.03 0.00 0.00 54.13 52.41 1xn3 s LEU 285 Cb -0.16 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 1xn3 s LEU 285 CO 0.06 0.02 0.42 -0.31 0.23 0.00 0.00 176.35 176.77 1xn3 s TYR 286 N 1.25 3.54 0.09 0.29 1.51 0.28 -1.00 117.35 123.32 1xn3 s TYR 286 Ca 0.03 0.85 0.09 0.00 -1.01 0.00 0.00 57.07 57.02 1xn3 s TYR 286 Cb -0.14 -2.46 -0.04 0.00 -0.11 0.00 0.00 41.96 39.21 1xn3 s TYR 286 CO -0.03 0.27 -0.21 -0.51 -1.11 0.00 0.00 175.55 173.96 1xn3 s LEU 287 N 0.26 2.52 0.37 -1.29 1.43 0.41 -0.44 118.68 121.94 1xn3 s LEU 287 Ca 0.23 -0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 52.48 1xn3 s LEU 287 Cb -0.15 -1.43 -0.11 0.00 0.03 0.00 0.00 46.19 44.53 1xn3 s LEU 287 CO 0.09 0.21 1.50 0.80 0.23 0.00 0.00 176.35 179.19 1xn3 n MET 288 N 1.14 2.69 -2.78 1.70 0.00 -0.92 -2.05 117.12 116.90 1xn3 n MET 288 Ca -0.16 0.94 -0.22 0.00 -0.00 0.00 0.00 57.70 58.26 1xn3 n MET 288 Cb 0.53 -2.68 0.10 0.00 0.00 0.00 0.00 33.22 31.16 1xn3 n MET 288 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1xn3 s GLY 289 N -0.05 1.73 0.14 -5.12 0.00 0.44 -4.14 107.32 100.32 1xn3 s GLY 289 Ca 0.54 -2.00 0.13 0.00 0.00 0.00 0.00 44.72 43.39 1xn3 s GLY 289 CO 0.62 -1.42 1.17 0.83 0.00 0.00 0.00 173.10 174.30 1xn3 h GLU 290 N -0.34 0.00 -6.52 2.90 5.08 -1.80 -3.42 114.58 110.48 1xn3 h GLU 290 Ca -0.32 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.52 1xn3 h GLU 290 Cb 1.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1xn3 h GLU 290 CO 0.38 0.61 0.27 0.08 -1.00 0.00 0.00 179.01 179.36 1xn3 s VAL 291 N -2.83 4.47 0.23 3.13 1.01 -1.26 -4.99 120.40 120.17 1xn3 s VAL 291 Ca 0.01 1.89 -0.31 0.00 0.00 0.00 0.00 61.98 63.57 1xn3 s VAL 291 Cb 0.09 -4.24 -0.14 0.00 0.00 0.00 0.00 36.38 32.09 1xn3 s VAL 291 CO 0.79 0.39 1.27 0.41 0.00 0.00 0.00 175.10 177.96 1xn3 n THR 292 N 2.38 1.16 -1.46 3.92 -1.04 -1.26 -1.45 114.28 116.53 1xn3 n THR 292 Ca -0.01 -0.29 -0.16 0.00 -2.04 0.00 0.00 64.05 61.55 1xn3 n THR 292 Cb 0.49 -1.22 -0.07 0.00 -1.82 0.00 0.00 70.33 67.72 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 1.88 -5.49 -4.47 8.00 3.02 -1.26 -4.98 115.26 111.96 1xn3 n ASN 293 Ca 0.12 0.40 -0.31 0.00 -0.03 0.00 0.00 54.58 54.76 1xn3 n ASN 293 Cb 0.30 -4.49 -0.12 0.00 -0.61 0.00 0.00 39.78 34.85 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 -3.36 2.19 0.17 3.52 0.74 -0.53 0.09 119.66 122.49 1xn3 s GLN 294 Ca 0.00 -0.91 -0.02 0.00 0.05 0.00 0.00 55.36 54.48 1xn3 s GLN 294 Cb 0.00 -2.25 -0.04 0.00 1.10 0.00 0.00 33.01 31.82 1xn3 s GLN 294 CO 0.00 0.56 0.12 -1.54 -0.55 0.00 0.00 175.29 173.88 1xn3 s SER 295 N -1.33 0.20 0.23 6.67 1.04 -0.22 -0.42 113.70 119.86 1xn3 s SER 295 Ca 0.15 -1.29 -0.01 0.00 0.48 0.00 0.00 55.95 55.28 1xn3 s SER 295 Cb -0.11 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 1xn3 s SER 295 CO 0.05 -0.81 0.19 0.72 0.98 0.00 0.00 173.24 174.37 1xn3 s PHE 296 N -4.11 1.19 0.06 5.02 -0.12 -0.87 -0.24 117.98 118.92 1xn3 s PHE 296 Ca 0.32 -1.37 0.03 0.00 -0.05 0.00 0.00 56.93 55.85 1xn3 s PHE 296 Cb 0.07 -0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 41.91 1xn3 s PHE 296 CO 0.08 -0.71 -0.09 -0.98 -0.05 0.00 0.00 175.22 173.46 1xn3 s ARG 297 N -4.01 0.66 -0.06 1.99 1.70 0.90 -0.44 118.95 119.68 1xn3 s ARG 297 Ca 0.38 -0.94 0.04 0.00 -0.47 0.00 0.00 55.73 54.74 1xn3 s ARG 297 Cb 0.06 -0.38 -0.02 0.00 -0.57 0.00 0.00 34.95 34.04 1xn3 s ARG 297 CO 0.14 0.06 -0.19 0.96 -1.08 0.00 0.00 175.30 175.19 1xn3 s ILE 298 N -1.90 2.57 -0.14 4.99 -4.36 -0.17 -0.96 121.20 121.24 1xn3 s ILE 298 Ca -0.03 -0.88 0.01 0.00 -0.26 0.00 0.00 60.65 59.49 1xn3 s ILE 298 Cb -0.06 -1.99 0.02 0.00 1.25 0.00 0.00 42.46 41.68 1xn3 s ILE 298 CO -0.00 0.57 -0.17 -0.89 0.24 0.00 0.00 174.94 174.69 1xn3 s THR 299 N -0.31 1.71 0.32 8.37 2.01 0.56 -0.82 115.64 127.48 1xn3 s THR 299 Ca 0.02 -0.74 0.08 0.00 0.31 0.00 0.00 61.69 61.35 1xn3 s THR 299 Cb -0.13 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 1xn3 s THR 299 CO 0.02 0.48 0.22 0.27 -0.69 0.00 0.00 174.62 174.92 1xn3 s ILE 300 N 1.20 3.56 0.39 1.82 -4.36 0.15 -1.96 121.20 121.99 1xn3 s ILE 300 Ca -0.00 -1.49 0.08 0.00 -0.26 0.00 0.00 60.65 58.97 1xn3 s ILE 300 Cb -0.14 -3.15 -0.03 0.00 1.25 0.00 0.00 42.46 40.39 1xn3 s ILE 300 CO -0.07 -0.22 0.29 -0.76 0.24 0.00 0.00 174.94 174.42 1xn3 s LEU 301 N -3.91 3.36 0.51 0.37 1.43 -1.26 -1.40 118.68 117.77 1xn3 s LEU 301 Ca 0.38 -0.77 0.34 0.00 -1.03 0.00 0.00 54.13 53.05 1xn3 s LEU 301 Cb -0.05 -1.93 1.65 0.00 0.03 0.00 0.00 46.19 45.89 1xn3 s LEU 301 CO 0.25 -0.53 2.03 1.55 0.23 0.00 0.00 176.35 179.87 1xn3 h PRO 302 N 1.21 0.00 0.00 1.29 0.13 -1.87 0.11 132.00 132.87 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 0.61 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 180.34 1xn3 h GLN 303 N 0.00 0.00 0.02 0.86 7.50 -1.87 0.19 115.11 121.81 1xn3 h GLN 303 Ca 0.00 0.00 -0.36 0.00 0.50 0.00 0.00 58.65 58.79 1xn3 h GLN 303 Cb 0.22 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.70 1xn3 h GLN 303 CO 0.00 0.00 -1.99 1.04 -1.50 0.00 0.00 178.83 176.38 1xn3 n GLN 304 N -2.63 0.62 0.00 1.46 3.00 0.33 -4.55 117.38 115.61 1xn3 n GLN 304 Ca 0.00 0.36 0.14 0.00 -0.01 0.00 0.00 57.00 57.49 1xn3 n GLN 304 Cb 0.18 -1.62 0.61 0.00 0.00 0.00 0.00 30.24 29.40 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 -4.04 0.00 -3.57 1.08 0.18 -0.96 -4.50 117.16 105.36 1xn3 n TYR 305 Ca -0.42 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 58.95 1xn3 n TYR 305 Cb 0.86 -0.22 -0.10 0.00 -0.38 0.00 0.00 39.34 39.51 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 -2.54 5.15 -0.23 -3.48 1.43 0.63 0.02 118.68 119.66 1xn3 s LEU 306 Ca 0.27 -1.39 -0.24 0.00 -1.03 0.00 0.00 54.13 51.74 1xn3 s LEU 306 Cb 0.20 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 1xn3 s LEU 306 CO 0.49 -0.53 0.78 -0.60 0.23 0.00 0.00 176.35 176.72 1xn3 s ARG 307 N 1.48 4.19 0.23 1.70 3.52 0.14 -4.77 118.95 125.45 1xn3 s ARG 307 Ca 0.03 0.86 -0.31 0.00 -0.13 0.00 0.00 55.73 56.19 1xn3 s ARG 307 Cb -0.23 -3.63 -0.10 0.00 -1.56 0.00 0.00 34.95 29.43 1xn3 s ARG 307 CO 0.03 -0.45 1.52 -2.14 -0.81 0.00 0.00 175.30 173.46 1xn3 s PRO 308 N 2.60 4.21 0.00 5.12 0.02 -1.26 -1.31 135.00 144.38 1xn3 s PRO 308 Ca 0.33 2.40 -0.02 0.00 0.02 0.00 0.00 61.00 63.73 1xn3 s PRO 308 Cb -0.16 -3.10 -0.01 0.00 0.02 0.00 0.00 34.50 31.26 1xn3 s PRO 308 CO 0.09 -0.54 0.02 0.14 -0.33 0.00 0.00 177.00 176.38 1xn3 s VAL 309 N 0.38 0.06 0.33 3.83 -7.23 -0.77 -4.57 120.40 112.43 1xn3 s VAL 309 Ca 0.64 -0.50 -0.29 0.00 -1.81 0.00 0.00 61.98 60.02 1xn3 s VAL 309 Cb -0.44 -0.20 -0.11 0.00 0.56 0.00 0.00 36.38 36.19 1xn3 s VAL 309 CO 0.40 -0.27 1.40 -0.70 -0.31 0.00 0.00 175.10 175.62 1xn3 s GLU 310 N -0.83 4.25 -0.43 4.82 2.56 -1.26 -4.04 118.70 123.77 1xn3 s GLU 310 Ca -0.09 2.36 -0.26 0.00 0.00 0.00 0.00 54.97 56.98 1xn3 s GLU 310 Cb -0.06 -3.04 0.02 0.00 2.00 0.00 0.00 34.13 33.05 1xn3 s GLU 310 CO -0.00 -0.36 0.95 0.34 -0.56 0.00 0.00 175.26 175.62 1xn3 s ASP 311 N -0.17 6.58 0.16 -1.70 2.15 -1.26 -4.95 116.67 117.47 1xn3 s ASP 311 Ca 0.53 0.32 -0.25 0.00 0.43 0.00 0.00 52.55 53.58 1xn3 s ASP 311 Cb -0.43 -2.47 0.02 0.00 -0.30 0.00 0.00 42.92 39.75 1xn3 s ASP 311 CO 0.54 -1.00 1.59 -0.37 -0.17 0.00 0.00 175.17 175.76 1xn3 h VAL 312 N 6.00 0.19 -2.71 1.11 -1.51 -1.95 -3.40 116.25 113.99 1xn3 h VAL 312 Ca -0.24 0.00 -0.52 0.00 -1.23 0.00 0.00 66.70 64.71 1xn3 h VAL 312 Cb 1.08 0.19 0.05 0.00 -2.13 0.00 0.00 31.29 30.47 1xn3 h VAL 312 CO 1.02 0.00 0.98 0.00 -1.23 0.00 0.00 177.57 178.34 1xn3 s ALA 313 N -5.94 3.87 0.00 5.19 0.00 -1.26 -4.92 121.76 118.70 1xn3 s ALA 313 Ca -0.15 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1xn3 s ALA 313 Cb 0.12 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1xn3 s ALA 313 CO 0.66 -0.91 0.03 2.41 0.00 0.00 0.00 175.76 177.95 1xn3 n THR 314 N 4.07 0.00 0.00 0.00 -1.04 -1.26 -4.78 114.28 111.27 1xn3 n THR 314 Ca 0.15 0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 1xn3 n THR 314 Cb 0.37 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 1xn3 n THR 314 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1xn3 n SER 315 N -0.19 0.00 -0.04 8.00 3.41 -1.26 -4.51 113.62 119.03 1xn3 n SER 315 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1xn3 n SER 315 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1xn3 n SER 315 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xn3 n GLN 316 N 0.06 0.00 -1.52 4.33 1.13 -1.26 -4.84 117.38 115.29 1xn3 n GLN 316 Ca 0.00 0.00 -0.46 0.00 -1.94 0.00 0.00 57.00 54.60 1xn3 n GLN 316 Cb 0.00 -1.00 -0.02 0.00 0.11 0.00 0.00 30.24 29.33 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 -0.42 0.32 -4.52 1.08 9.92 -1.26 -4.26 116.55 117.40 1xn3 n ASP 317 Ca 0.00 1.15 -0.42 0.00 -0.53 0.00 0.00 54.79 54.99 1xn3 n ASP 317 Cb 0.00 -1.16 -0.08 0.00 -0.64 0.00 0.00 41.12 39.24 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 -0.73 6.26 0.15 -2.24 -0.00 -0.41 -4.59 116.67 115.11 1xn3 s ASP 318 Ca 0.61 -0.34 0.09 0.00 -0.00 0.00 0.00 52.55 52.90 1xn3 s ASP 318 Cb -0.78 -2.25 -0.04 0.00 -0.00 0.00 0.00 42.92 39.85 1xn3 s ASP 318 CO 0.59 -0.56 -0.12 0.00 -0.00 0.00 0.00 175.17 175.08 1xn3 s TYR 320 N -1.44 0.14 0.09 0.00 1.51 -0.43 -1.84 117.35 115.38 1xn3 s TYR 320 Ca 0.22 -0.51 0.07 0.00 -1.01 0.00 0.00 57.07 55.84 1xn3 s TYR 320 Cb -0.10 -0.07 -0.04 0.00 -0.11 0.00 0.00 41.96 41.65 1xn3 s TYR 320 CO 0.13 -0.50 -0.13 0.15 -1.11 0.00 0.00 175.55 174.10 1xn3 s LYS 321 N -3.45 2.07 -0.31 -0.62 1.02 -0.43 -1.18 119.74 116.85 1xn3 s LYS 321 Ca 0.02 -1.03 -0.29 0.00 0.02 0.00 0.00 55.97 54.69 1xn3 s LYS 321 Cb 0.03 -2.26 -0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1xn3 s LYS 321 CO -0.09 0.51 1.35 0.12 -0.92 0.00 0.00 175.35 176.32 1xn3 s PHE 322 N -1.15 2.59 -0.49 3.18 5.36 -1.26 -0.68 117.98 125.53 1xn3 s PHE 322 Ca 0.19 0.81 -0.00 0.00 -0.96 0.00 0.00 56.93 56.97 1xn3 s PHE 322 Cb -0.11 -3.97 0.40 0.00 -0.34 0.00 0.00 43.02 39.00 1xn3 s PHE 322 CO 0.11 -1.87 1.96 0.00 -1.46 0.00 0.00 175.22 173.96 1xn3 n ALA 323 N 7.87 5.64 -3.46 11.12 0.00 0.10 -4.44 120.51 137.35 1xn3 n ALA 323 Ca 0.15 -2.65 -0.28 0.00 0.00 0.00 0.00 53.44 50.67 1xn3 n ALA 323 Cb 0.47 -1.55 -0.17 0.00 0.00 0.00 0.00 19.45 18.19 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 -3.53 1.55 0.15 0.00 1.01 -1.26 -1.58 121.20 117.54 1xn3 s ILE 324 Ca 0.50 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 1xn3 s ILE 324 Cb 0.40 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 1xn3 s ILE 324 CO 0.02 0.45 0.21 -0.94 0.00 0.00 0.00 174.94 174.67 1xn3 s SER 325 N 0.68 0.13 0.43 3.58 1.04 -0.71 -4.74 113.70 114.11 1xn3 s SER 325 Ca -0.13 -0.96 -0.21 0.00 0.48 0.00 0.00 55.95 55.13 1xn3 s SER 325 Cb -0.16 0.39 -0.11 0.00 0.10 0.00 0.00 66.02 66.24 1xn3 s SER 325 CO 0.03 -0.83 0.95 0.00 0.98 0.00 0.00 173.24 174.37 1xn3 s GLN 326 N -3.99 4.21 0.04 4.02 -2.07 -1.26 -0.96 119.66 119.66 1xn3 s GLN 326 Ca 0.18 1.13 0.05 0.00 -1.82 0.00 0.00 55.36 54.90 1xn3 s GLN 326 Cb 0.05 -2.18 -0.02 0.00 -1.09 0.00 0.00 33.01 29.76 1xn3 s GLN 326 CO -0.00 -0.05 -0.14 0.45 -1.32 0.00 0.00 175.29 174.24 1xn3 s SER 327 N -2.17 1.60 0.00 12.60 0.15 0.13 -4.73 113.70 121.28 1xn3 s SER 327 Ca 0.62 -0.45 0.16 0.00 0.70 0.00 0.00 55.95 56.98 1xn3 s SER 327 Cb -0.09 -0.10 0.26 0.00 -1.71 0.00 0.00 66.02 64.38 1xn3 s SER 327 CO 0.13 0.02 1.16 -1.54 1.20 0.00 0.00 173.24 174.22 1xn3 n SER 328 N 1.91 2.76 -1.38 5.45 3.41 -1.26 -3.01 113.62 121.50 1xn3 n SER 328 Ca -0.18 -1.81 -0.06 0.00 -0.26 0.00 0.00 58.87 56.56 1xn3 n SER 328 Cb 0.55 -0.14 0.11 0.00 -0.26 0.00 0.00 64.21 64.47 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 0.94 2.08 0.00 6.66 -2.24 -1.26 -5.04 114.28 115.41 1xn3 n THR 329 Ca 0.12 -3.41 0.00 0.00 -2.27 0.00 0.00 64.05 58.49 1xn3 n THR 329 Cb 0.45 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 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 -0.24 3.76 3.38 0.00 -1.23 -4.50 105.19 105.58 1xn3 n GLY 330 Ca 0.27 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.01 3.77 -0.17 2.61 2.01 0.23 -4.26 115.64 118.82 1xn3 s THR 331 Ca 0.00 1.71 -0.00 0.00 0.31 0.00 0.00 61.69 63.71 1xn3 s THR 331 Cb 0.00 -4.06 0.04 0.00 0.01 0.00 0.00 72.50 68.49 1xn3 s THR 331 CO 0.00 0.35 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.54 1xn3 s VAL 332 N -1.26 1.14 -0.90 3.82 1.01 0.90 -2.08 120.40 123.04 1xn3 s VAL 332 Ca 0.45 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.57 1xn3 s VAL 332 Cb -0.28 -1.32 0.10 0.00 0.00 0.00 0.00 36.38 34.89 1xn3 s VAL 332 CO 0.35 0.13 1.18 -0.04 0.00 0.00 0.00 175.10 176.72 1xn3 s MET 333 N 1.62 3.51 0.00 2.72 -1.94 -0.23 -1.05 119.30 123.92 1xn3 s MET 333 Ca 0.01 -1.42 0.00 0.00 -1.71 0.00 0.00 55.69 52.56 1xn3 s MET 333 Cb -0.15 -4.89 0.00 0.00 2.01 0.00 0.00 34.83 31.80 1xn3 s MET 333 CO -0.08 -1.89 0.00 0.41 -0.01 0.00 0.00 175.02 173.45 1xn3 n GLY 334 N 5.79 -0.69 0.36 -0.03 0.00 -0.81 -1.40 105.19 108.41 1xn3 n GLY 334 Ca 0.21 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.77 2.03 -0.58 4.61 0.00 0.15 -0.92 119.26 122.77 1xn3 h ALA 335 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.02 1xn3 h ALA 335 Cb 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 17.60 1xn3 h ALA 335 CO 0.00 -0.17 -0.18 0.28 0.00 0.00 0.00 179.25 179.18 1xn3 h VAL 336 N 0.41 0.37 0.00 0.00 2.07 -1.34 0.20 116.25 117.97 1xn3 h VAL 336 Ca 0.29 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.81 1xn3 h VAL 336 Cb 0.59 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1xn3 h VAL 336 CO -0.08 0.00 -0.00 0.40 0.02 0.00 0.00 177.57 177.91 1xn3 h ILE 337 N -0.03 1.55 -0.45 4.57 1.08 -1.57 -3.32 117.51 119.34 1xn3 h ILE 337 Ca 0.27 -1.65 0.11 0.00 -0.39 0.00 0.00 64.86 63.21 1xn3 h ILE 337 Cb 0.46 2.67 -0.02 0.00 -3.07 0.00 0.00 36.82 36.85 1xn3 h ILE 337 CO -0.61 0.43 0.31 0.24 -0.69 0.00 0.00 178.15 177.83 1xn3 h MET 338 N -0.71 0.08 0.00 2.37 2.86 -0.69 -0.17 114.93 118.67 1xn3 h MET 338 Ca -0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1xn3 h MET 338 Cb 0.70 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1xn3 h MET 338 CO 0.00 0.05 0.00 0.39 1.06 0.00 0.00 176.91 178.41 1xn3 n GLU 339 N -4.43 0.14 0.06 1.72 1.02 0.66 -2.03 120.64 117.78 1xn3 n GLU 339 Ca 0.07 0.50 0.12 0.00 -0.02 0.00 0.00 57.16 57.83 1xn3 n GLU 339 Cb 0.46 -1.84 0.08 0.00 -0.02 0.00 0.00 31.44 30.13 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 -0.64 -1.37 3.20 0.62 0.00 -0.08 -4.24 105.19 102.69 1xn3 n GLY 340 Ca 0.01 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.23 1.04 -0.27 1.61 0.40 -0.86 -1.47 117.98 115.20 1xn3 s PHE 341 Ca 0.04 -0.98 -0.17 0.00 -0.60 0.00 0.00 56.93 55.21 1xn3 s PHE 341 Cb 0.13 -0.60 -0.03 0.00 0.51 0.00 0.00 43.02 43.03 1xn3 s PHE 341 CO 0.76 -0.20 0.49 -0.47 0.70 0.00 0.00 175.22 176.50 1xn3 s TYR 342 N -3.67 3.25 -0.18 0.36 5.04 0.75 -4.50 117.35 118.40 1xn3 s TYR 342 Ca 0.18 0.54 -0.03 0.00 -2.44 0.00 0.00 57.07 55.32 1xn3 s TYR 342 Cb 0.06 -2.73 -0.01 0.00 0.35 0.00 0.00 41.96 39.63 1xn3 s TYR 342 CO -0.00 -0.31 -0.06 0.08 -1.34 0.00 0.00 175.55 173.92 1xn3 s VAL 343 N 2.29 3.44 -0.29 3.14 1.01 0.16 -2.19 120.40 127.96 1xn3 s VAL 343 Ca 0.20 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 1xn3 s VAL 343 Cb -0.16 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 1xn3 s VAL 343 CO 0.10 0.46 0.14 -0.69 0.00 0.00 0.00 175.10 175.11 1xn3 s VAL 344 N 0.95 4.65 -1.02 2.92 1.01 0.47 0.03 120.40 129.41 1xn3 s VAL 344 Ca -0.01 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 61.60 1xn3 s VAL 344 Cb -0.15 -3.29 0.24 0.00 0.00 0.00 0.00 36.38 33.18 1xn3 s VAL 344 CO 0.01 0.17 1.04 -0.36 0.00 0.00 0.00 175.10 175.95 1xn3 s PHE 345 N 1.64 3.93 -1.25 5.22 0.08 0.72 0.18 117.98 128.51 1xn3 s PHE 345 Ca 0.06 -2.30 -0.15 0.00 0.12 0.00 0.00 56.93 54.65 1xn3 s PHE 345 Cb -0.16 -3.92 0.13 0.00 -0.57 0.00 0.00 43.02 38.50 1xn3 s PHE 345 CO 0.06 -1.06 1.56 -3.47 -0.10 0.00 0.00 175.22 172.21 1xn3 n ASP 346 N 3.75 5.11 -0.17 1.36 -0.08 -0.60 -2.44 116.55 123.49 1xn3 n ASP 346 Ca 0.22 -2.96 0.00 0.00 -1.51 0.00 0.00 54.79 50.55 1xn3 n ASP 346 Cb 0.43 -1.64 0.26 0.00 2.34 0.00 0.00 41.12 42.51 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 7.28 0.90 -0.96 -0.67 3.08 -1.74 -0.86 114.38 121.41 1xn3 h ARG 347 Ca 0.37 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.38 1xn3 h ARG 347 Cb 0.87 -0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.67 1xn3 h ARG 347 CO 1.33 0.64 0.63 0.00 -1.07 0.00 0.00 179.97 181.50 1xn3 h ALA 348 N 1.52 1.28 -0.62 0.04 0.00 -1.59 -2.15 119.26 117.73 1xn3 h ALA 348 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1xn3 h ALA 348 Cb -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.42 1xn3 h ALA 348 CO -0.04 0.52 0.00 0.54 0.00 0.00 0.00 179.25 180.26 1xn3 n ARG 349 N -4.47 3.29 -3.93 0.00 1.74 -1.03 -4.97 116.66 107.29 1xn3 n ARG 349 Ca 0.13 -2.72 -0.27 0.00 -0.77 0.00 0.00 57.85 54.21 1xn3 n ARG 349 Cb 0.09 -1.72 -0.01 0.00 -1.02 0.00 0.00 32.46 29.80 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 1.14 -2.79 -3.84 5.56 4.81 -0.39 -4.92 118.16 117.74 1xn3 n LYS 350 Ca 0.24 0.39 -0.09 0.00 -0.87 0.00 0.00 58.31 57.97 1xn3 n LYS 350 Cb 0.75 -4.36 -0.07 0.00 0.02 0.00 0.00 35.03 31.38 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 -6.52 0.97 -0.10 1.64 1.70 -0.83 -1.29 118.95 114.52 1xn3 s ARG 351 Ca 0.09 -0.97 0.02 0.00 -0.47 0.00 0.00 55.73 54.40 1xn3 s ARG 351 Cb -0.04 0.38 0.01 0.00 -0.57 0.00 0.00 34.95 34.73 1xn3 s ARG 351 CO 0.89 -0.34 -0.15 0.42 -1.08 0.00 0.00 175.30 175.04 1xn3 s ILE 352 N -3.88 1.43 0.01 4.99 1.01 0.82 -1.56 121.20 124.02 1xn3 s ILE 352 Ca 0.08 -0.62 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 1xn3 s ILE 352 Cb 0.04 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 1xn3 s ILE 352 CO -0.08 0.43 0.17 -0.83 0.00 0.00 0.00 174.94 174.63 1xn3 s GLY 353 N 0.86 2.16 -0.03 6.18 0.00 0.13 -1.19 107.32 115.42 1xn3 s GLY 353 Ca -0.10 -0.80 0.04 0.00 0.00 0.00 0.00 44.72 43.86 1xn3 s GLY 353 CO 0.01 -0.71 -0.14 -1.36 0.00 0.00 0.00 173.10 170.89 1xn3 s PHE 354 N -1.35 1.41 0.02 1.90 0.40 0.37 -0.40 117.98 120.33 1xn3 s PHE 354 Ca 0.29 -0.38 -0.09 0.00 -0.60 0.00 0.00 56.93 56.14 1xn3 s PHE 354 Cb -0.13 -0.96 0.00 0.00 0.51 0.00 0.00 43.02 42.45 1xn3 s PHE 354 CO 0.20 -0.13 0.19 0.00 0.70 0.00 0.00 175.22 176.18 1xn3 s ALA 355 N 0.07 -0.38 0.16 5.36 0.00 -0.93 -0.70 121.76 125.35 1xn3 s ALA 355 Ca -0.03 -0.19 -0.31 0.00 0.00 0.00 0.00 51.96 51.42 1xn3 s ALA 355 Cb -0.10 0.21 -0.11 0.00 0.00 0.00 0.00 23.12 23.12 1xn3 s ALA 355 CO 0.01 -0.31 1.75 0.08 0.00 0.00 0.00 175.76 177.30 1xn3 s VAL 356 N -2.14 2.32 0.34 0.00 1.01 -1.24 -0.18 120.40 120.52 1xn3 s VAL 356 Ca -0.08 0.08 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 1xn3 s VAL 356 Cb -0.03 -3.05 -0.09 0.00 0.00 0.00 0.00 36.38 33.21 1xn3 s VAL 356 CO -0.02 0.00 1.12 -0.55 0.00 0.00 0.00 175.10 175.66 1xn3 s SER 357 N 1.86 6.91 0.00 3.32 0.15 -0.54 -2.04 113.70 123.35 1xn3 s SER 357 Ca 0.77 2.27 0.20 0.00 0.70 0.00 0.00 55.95 59.89 1xn3 s SER 357 Cb -0.47 -2.62 0.91 0.00 -1.71 0.00 0.00 66.02 62.13 1xn3 s SER 357 CO 0.34 -0.40 1.62 0.00 1.20 0.00 0.00 173.24 176.00 1xn3 n ALA 358 N 0.57 1.96 -0.78 5.45 0.00 -0.47 -2.86 120.51 124.37 1xn3 n ALA 358 Ca 0.02 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.45 1xn3 n ALA 358 Cb 0.46 -1.32 0.12 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.37 3.34 0.14 0.00 -0.00 -1.14 -4.55 115.29 110.72 1xn3 s HIS 360 Ca 0.25 1.66 -0.27 0.00 -0.00 0.00 0.00 55.06 56.70 1xn3 s HIS 360 Cb 0.21 -3.11 -0.07 0.00 -0.00 0.00 0.00 32.58 29.62 1xn3 s HIS 360 CO 0.03 -0.51 0.84 0.08 -0.00 0.00 0.00 174.74 175.19 1xn3 s VAL 361 N -1.63 4.43 0.00 -5.38 1.01 -1.26 -5.03 120.40 112.53 1xn3 s VAL 361 Ca 0.56 1.84 0.00 0.00 0.00 0.00 0.00 61.98 64.38 1xn3 s VAL 361 Cb -0.22 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1xn3 s VAL 361 CO 0.28 0.44 0.00 0.00 0.00 0.00 0.00 175.10 175.81 1xn3 n HIS 362 N 2.12 -0.54 -4.23 5.22 -0.00 -1.26 -4.73 115.22 111.79 1xn3 n HIS 362 Ca -0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.57 1xn3 n HIS 362 Cb 0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.44 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 -0.63 0.91 0.00 4.39 5.68 -1.19 -5.03 116.55 120.68 1xn3 n ASP 363 Ca 0.00 -2.06 0.12 0.00 -0.50 0.00 0.00 54.79 52.34 1xn3 n ASP 363 Cb 0.00 0.54 0.58 0.00 -1.14 0.00 0.00 41.12 41.10 1xn3 n ASP 363 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1xn3 n GLU 364 N -0.43 0.29 -0.04 0.11 2.13 -1.26 -3.75 120.64 117.69 1xn3 n GLU 364 Ca -0.02 0.07 0.01 0.00 0.66 0.00 0.00 57.16 57.88 1xn3 n GLU 364 Cb 0.30 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.38 1xn3 n GLU 364 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1xn3 n PHE 365 N -1.31 0.00 -3.91 4.31 3.01 -1.26 -5.03 117.46 113.27 1xn3 n PHE 365 Ca 0.10 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.47 1xn3 n PHE 365 Cb 0.20 -0.58 -0.09 0.00 -0.01 0.00 0.00 39.48 39.00 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 -2.86 0.62 0.11 -1.08 0.52 -1.25 -5.17 118.95 109.85 1xn3 s ARG 366 Ca -0.07 -0.75 -0.00 0.00 -0.52 0.00 0.00 55.73 54.38 1xn3 s ARG 366 Cb 0.08 0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.76 1xn3 s ARG 366 CO 0.70 -0.16 0.02 0.95 0.02 0.00 0.00 175.30 176.82 1xn3 s THR 367 N -2.70 0.27 0.94 0.02 -4.23 -1.26 -3.16 115.64 105.51 1xn3 s THR 367 Ca -0.04 -1.90 -0.12 0.00 -1.18 0.00 0.00 61.69 58.46 1xn3 s THR 367 Cb -0.01 -1.89 0.15 0.00 1.34 0.00 0.00 72.50 72.10 1xn3 s THR 367 CO -0.05 -0.64 1.09 0.00 -0.54 0.00 0.00 174.62 174.48 1xn3 s ALA 368 N -3.92 1.22 0.04 3.99 0.00 -1.26 -4.91 121.76 116.92 1xn3 s ALA 368 Ca 0.19 0.01 -0.16 0.00 0.00 0.00 0.00 51.96 52.00 1xn3 s ALA 368 Cb 0.07 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.99 1xn3 s ALA 368 CO -0.02 -2.64 0.37 0.00 0.00 0.00 0.00 175.76 173.47 1xn3 s ALA 369 N -2.82 -0.87 -0.14 0.00 0.00 -0.83 -4.97 121.76 112.13 1xn3 s ALA 369 Ca 0.65 0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.79 1xn3 s ALA 369 Cb -0.20 0.31 0.04 0.00 0.00 0.00 0.00 23.12 23.28 1xn3 s ALA 369 CO 0.58 -0.42 0.00 0.08 0.00 0.00 0.00 175.76 176.00 1xn3 s VAL 370 N -2.41 0.57 0.06 0.00 1.01 -1.26 -0.32 120.40 118.06 1xn3 s VAL 370 Ca -0.06 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1xn3 s VAL 370 Cb -0.01 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 1xn3 s VAL 370 CO -0.02 0.05 -0.08 -1.61 0.00 0.00 0.00 175.10 173.44 1xn3 s GLU 371 N 1.87 0.66 0.00 2.72 2.02 -0.14 -4.86 118.70 120.97 1xn3 s GLU 371 Ca 0.02 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 54.03 1xn3 s GLU 371 Cb -0.15 -0.28 0.00 0.00 0.10 0.00 0.00 34.13 33.80 1xn3 s GLU 371 CO -0.07 0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.65 1xn3 n GLY 372 N 0.89 -0.44 3.99 -1.39 0.00 -1.26 -0.07 105.19 106.90 1xn3 n GLY 372 Ca -0.19 -0.94 -0.19 0.00 0.00 0.00 0.00 46.02 44.71 1xn3 n GLY 372 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xn3 s PRO 373 N -2.00 3.03 -0.01 1.61 0.04 -1.26 -5.08 135.00 131.33 1xn3 s PRO 373 Ca 0.00 -1.08 0.05 0.00 0.04 0.00 0.00 61.00 60.02 1xn3 s PRO 373 Cb 0.00 -2.79 -0.01 0.00 0.04 0.00 0.00 34.50 31.74 1xn3 s PRO 373 CO 0.00 -0.01 -0.17 -0.06 0.04 0.00 0.00 177.00 176.80 1xn3 s PHE 374 N -2.22 1.56 -0.50 0.56 0.40 0.67 -4.93 117.98 113.51 1xn3 s PHE 374 Ca 0.47 -0.30 -0.29 0.00 -0.60 0.00 0.00 56.93 56.21 1xn3 s PHE 374 Cb -0.09 -1.00 0.03 0.00 0.51 0.00 0.00 43.02 42.47 1xn3 s PHE 374 CO 0.31 -0.02 1.22 0.08 0.70 0.00 0.00 175.22 177.51 1xn3 s VAL 375 N -0.45 4.07 -0.05 -0.44 1.01 -1.26 -1.06 120.40 122.23 1xn3 s VAL 375 Ca 0.07 1.05 0.05 0.00 0.00 0.00 0.00 61.98 63.14 1xn3 s VAL 375 Cb -0.07 -4.57 -0.00 0.00 0.00 0.00 0.00 36.38 31.74 1xn3 s VAL 375 CO -0.00 -1.08 -0.19 -0.89 0.00 0.00 0.00 175.10 172.93 1xn3 s THR 376 N 4.87 1.59 0.28 3.92 2.01 0.11 -4.98 115.64 123.46 1xn3 s THR 376 Ca 0.49 -0.81 0.08 0.00 0.31 0.00 0.00 61.69 61.76 1xn3 s THR 376 Cb -0.08 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 1xn3 s THR 376 CO 0.30 0.45 0.12 -0.76 -0.69 0.00 0.00 174.62 174.04 1xn3 s LEU 377 N -0.00 3.44 -1.60 4.42 1.43 -1.26 -3.79 118.68 121.31 1xn3 s LEU 377 Ca -0.04 -0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 52.47 1xn3 s LEU 377 Cb -0.12 -1.97 0.05 0.00 0.03 0.00 0.00 46.19 44.18 1xn3 s LEU 377 CO 0.03 -0.11 0.17 0.47 0.23 0.00 0.00 176.35 177.14 1xn3 n ASP 378 N -1.09 0.20 0.20 2.29 10.43 -1.26 -4.81 116.55 122.51 1xn3 n ASP 378 Ca -0.06 -1.24 0.08 0.00 2.57 0.00 0.00 54.79 56.14 1xn3 n ASP 378 Cb 0.59 -1.77 0.32 0.00 1.84 0.00 0.00 41.12 42.10 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 -1.62 0.00 -0.62 -1.24 2.86 -1.99 -2.75 114.93 109.57 1xn3 h MET 379 Ca -0.64 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.13 1xn3 h MET 379 Cb 1.40 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.02 1xn3 h MET 379 CO 0.74 0.29 0.42 1.49 1.06 0.00 0.00 176.91 180.91 1xn3 h GLU 380 N 0.00 0.26 0.00 1.72 4.81 -1.98 0.22 114.58 119.60 1xn3 h GLU 380 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1xn3 h GLU 380 Cb 0.94 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1xn3 h GLU 380 CO 0.04 0.17 0.00 -0.25 -0.73 0.00 0.00 179.01 178.24 1xn3 n ASP 381 N -4.44 0.00 0.16 1.04 8.00 -1.04 -2.86 116.55 117.41 1xn3 n ASP 381 Ca 0.11 0.11 0.04 0.00 0.71 0.00 0.00 54.79 55.76 1xn3 n ASP 381 Cb 0.50 -0.35 0.14 0.00 -0.02 0.00 0.00 41.12 41.39 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 -4.41 2.86 -0.06 0.00 0.00 -1.14 -3.86 107.32 100.71 1xn3 s GLY 383 Ca 0.03 1.14 -0.07 0.00 0.00 0.00 0.00 44.72 45.82 1xn3 s GLY 383 CO 0.72 1.66 0.20 -0.47 0.00 0.00 0.00 173.10 175.21 1xn3 s TYR 384 N -1.38 3.60 0.00 1.90 5.04 -1.26 -4.95 117.35 120.30 1xn3 s TYR 384 Ca 0.63 0.55 0.00 0.00 -2.44 0.00 0.00 57.07 55.81 1xn3 s TYR 384 Cb -0.35 -1.96 0.00 0.00 0.35 0.00 0.00 41.96 40.00 1xn3 s TYR 384 CO 0.43 0.69 0.40 0.09 -1.34 0.00 0.00 175.55 175.82