#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xx1 s ASP 2 N 0.00 -0.79 -0.00 0.00 2.15 -1.26 -5.07 116.67 111.70 1xx1 s ASP 2 Ca 0.00 1.41 0.00 0.00 0.43 0.00 0.00 52.55 54.39 1xx1 s ASP 2 Cb 0.00 1.37 0.00 0.00 -0.30 0.00 0.00 42.92 43.99 1xx1 s ASP 2 CO 0.00 -0.24 0.61 -0.46 -0.17 0.00 0.00 175.17 174.91 1xx1 n ASN 3 N 3.38 0.12 -4.81 -0.34 0.23 -1.26 -5.09 115.26 107.50 1xx1 n ASN 3 Ca -0.17 -1.23 -0.38 0.00 -0.53 0.00 0.00 54.58 52.28 1xx1 n ASN 3 Cb 0.57 -0.04 -0.06 0.00 -2.08 0.00 0.00 39.78 38.17 1xx1 n ASN 3 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1xx1 s ARG 4 N -0.08 4.27 0.07 -3.83 0.52 -1.26 -4.96 118.95 113.68 1xx1 s ARG 4 Ca 0.00 0.82 -0.31 0.00 -0.52 0.00 0.00 55.73 55.73 1xx1 s ARG 4 Cb 0.00 -3.16 -0.08 0.00 0.52 0.00 0.00 34.95 32.24 1xx1 s ARG 4 CO 0.00 0.57 1.57 0.50 0.02 0.00 0.00 175.30 177.96 1xx1 s ARG 5 N -1.34 4.23 0.21 3.54 3.52 -0.17 -4.68 118.95 124.25 1xx1 s ARG 5 Ca 0.34 2.25 -0.30 0.00 -0.13 0.00 0.00 55.73 57.88 1xx1 s ARG 5 Cb -0.19 -3.50 -0.08 0.00 -1.56 0.00 0.00 34.95 29.62 1xx1 s ARG 5 CO 0.21 -0.66 1.01 -1.25 -0.81 0.00 0.00 175.30 173.80 1xx1 s PRO 6 N 2.25 4.72 -0.10 5.12 0.04 -1.26 -0.66 135.00 145.11 1xx1 s PRO 6 Ca 0.71 1.60 0.04 0.00 0.04 0.00 0.00 61.00 63.38 1xx1 s PRO 6 Cb -0.39 -3.28 -0.00 0.00 0.04 0.00 0.00 34.50 30.87 1xx1 s PRO 6 CO 0.31 0.30 -0.24 0.42 0.04 0.00 0.00 177.00 177.83 1xx1 s ILE 7 N -0.73 2.09 -0.27 0.56 -1.09 0.23 -4.75 121.20 117.25 1xx1 s ILE 7 Ca 0.45 -1.01 -0.19 0.00 -2.23 0.00 0.00 60.65 57.66 1xx1 s ILE 7 Cb -0.27 -1.80 -0.02 0.00 -1.58 0.00 0.00 42.46 38.79 1xx1 s ILE 7 CO 0.34 0.56 0.59 0.26 -1.23 0.00 0.00 174.94 175.46 1xx1 s TRP 8 N 0.33 3.26 -0.73 3.97 0.51 0.23 -0.31 118.94 126.21 1xx1 s TRP 8 Ca -0.18 0.71 -0.16 0.00 -2.12 0.00 0.00 56.10 54.35 1xx1 s TRP 8 Cb -0.18 -2.83 0.17 0.00 -0.81 0.00 0.00 33.47 29.82 1xx1 s TRP 8 CO 0.09 -0.34 0.73 1.21 -0.51 0.00 0.00 176.95 178.13 1xx1 s ASN 9 N 1.53 6.51 -0.40 2.95 3.84 -1.26 -0.41 114.94 127.70 1xx1 s ASN 9 Ca 0.24 -2.19 -0.17 0.00 0.21 0.00 0.00 52.86 50.95 1xx1 s ASN 9 Cb -0.15 -2.25 0.01 0.00 -0.55 0.00 0.00 41.25 38.31 1xx1 s ASN 9 CO 0.09 -0.79 0.43 -0.76 -2.79 0.00 0.00 177.10 173.28 1xx1 s LEU 10 N 1.22 4.73 0.03 3.21 1.43 0.80 -2.18 118.68 127.92 1xx1 s LEU 10 Ca 0.15 -0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 52.41 1xx1 s LEU 10 Cb -0.17 -2.39 -0.07 0.00 0.03 0.00 0.00 46.19 43.59 1xx1 s LEU 10 CO -0.04 -0.52 1.62 0.00 0.23 0.00 0.00 176.35 177.64 1xx1 s ALA 11 N 2.13 3.65 0.15 4.21 0.00 0.41 -0.53 121.76 131.77 1xx1 s ALA 11 Ca 0.12 1.09 -0.28 0.00 0.00 0.00 0.00 51.96 52.89 1xx1 s ALA 11 Cb -0.17 -3.70 -0.07 0.00 0.00 0.00 0.00 23.12 19.19 1xx1 s ALA 11 CO 0.13 -1.16 0.88 -1.58 0.00 0.00 0.00 175.76 174.04 1xx1 s HIS 12 N 2.99 3.87 -1.05 0.00 2.46 0.44 -0.16 115.29 123.85 1xx1 s HIS 12 Ca 0.72 1.75 -0.11 0.00 0.47 0.00 0.00 55.06 57.89 1xx1 s HIS 12 Cb -0.37 -2.93 -0.04 0.00 -0.13 0.00 0.00 32.58 29.11 1xx1 s HIS 12 CO 0.31 0.35 0.84 -0.12 -2.47 0.00 0.00 174.74 173.65 1xx1 n MET 13 N 2.17 -1.71 -3.55 2.88 1.56 -1.02 -4.81 117.12 112.65 1xx1 n MET 13 Ca -0.01 0.76 -0.41 0.00 -0.27 0.00 0.00 57.70 57.77 1xx1 n MET 13 Cb 0.49 -5.02 -0.07 0.00 2.15 0.00 0.00 33.22 30.77 1xx1 n MET 13 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 1xx1 s VAL 14 N -3.37 4.49 -1.02 1.12 1.01 0.48 -4.85 120.40 118.27 1xx1 s VAL 14 Ca 0.41 -2.65 0.12 0.00 0.00 0.00 0.00 61.98 59.86 1xx1 s VAL 14 Cb -0.10 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1xx1 s VAL 14 CO 0.80 -0.92 0.68 0.59 0.00 0.00 0.00 175.10 176.24 1xx1 n ASN 15 N 3.82 1.19 -4.54 3.32 5.03 -1.26 -4.41 115.26 118.42 1xx1 n ASN 15 Ca 0.08 -1.10 -0.33 0.00 0.87 0.00 0.00 54.58 54.10 1xx1 n ASN 15 Cb 0.42 0.59 -0.12 0.00 -1.02 0.00 0.00 39.78 39.65 1xx1 n ASN 15 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xx1 s ALA 16 N -1.72 2.86 0.41 5.41 0.00 -1.26 -1.96 121.76 125.51 1xx1 s ALA 16 Ca 0.09 -0.92 0.14 0.00 0.00 0.00 0.00 51.96 51.27 1xx1 s ALA 16 Cb 0.10 -1.14 0.90 0.00 0.00 0.00 0.00 23.12 22.98 1xx1 s ALA 16 CO 0.36 0.55 1.92 -0.39 0.00 0.00 0.00 175.76 178.20 1xx1 h VAL 17 N 4.33 1.16 0.00 0.00 -1.51 -1.92 -0.75 116.25 117.55 1xx1 h VAL 17 Ca -0.47 -0.90 -0.02 0.00 -1.23 0.00 0.00 66.70 64.08 1xx1 h VAL 17 Cb 1.17 1.49 -0.00 0.00 -2.13 0.00 0.00 31.29 31.81 1xx1 h VAL 17 CO 0.52 0.25 -0.10 0.00 -1.23 0.00 0.00 177.57 177.01 1xx1 h ALA 18 N 1.74 1.67 0.00 5.19 0.00 -1.95 -2.02 119.26 123.90 1xx1 h ALA 18 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1xx1 h ALA 18 Cb 0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1xx1 h ALA 18 CO 0.03 0.12 -0.09 1.96 0.00 0.00 0.00 179.25 181.28 1xx1 h GLN 19 N 0.00 0.00 0.28 0.00 4.20 -1.55 -3.37 115.11 114.67 1xx1 h GLN 19 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xx1 h GLN 19 Cb 0.20 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1xx1 h GLN 19 CO 0.01 0.09 -0.46 0.82 -0.67 0.00 0.00 178.83 178.63 1xx1 h ILE 20 N 0.00 0.00 -0.07 2.54 2.04 -1.36 -0.10 117.51 120.55 1xx1 h ILE 20 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1xx1 h ILE 20 Cb 1.03 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1xx1 h ILE 20 CO 0.01 0.00 -0.00 1.55 0.00 0.00 0.00 178.15 179.71 1xx1 h PRO 21 N -0.78 0.10 -0.27 2.37 0.13 -1.75 -0.89 132.00 130.90 1xx1 h PRO 21 Ca -0.03 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1xx1 h PRO 21 Cb 0.72 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 1xx1 h PRO 21 CO -0.15 0.12 0.11 -0.44 -0.23 0.00 0.00 178.00 177.41 1xx1 h ASP 22 N 0.10 0.37 -0.07 1.44 3.32 -1.52 0.35 116.42 120.42 1xx1 h ASP 22 Ca 0.03 -0.16 -0.15 0.00 0.02 0.00 0.00 57.03 56.77 1xx1 h ASP 22 Cb 0.08 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1xx1 h ASP 22 CO 0.00 0.43 -0.47 -0.26 -1.72 0.00 0.00 179.24 177.22 1xx1 h PHE 23 N 0.29 0.76 -0.54 4.55 0.04 -0.51 -0.94 116.94 120.60 1xx1 h PHE 23 Ca 0.09 -0.24 -0.00 0.00 2.80 0.00 0.00 57.97 60.61 1xx1 h PHE 23 Cb 0.17 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.14 1xx1 h PHE 23 CO -0.01 0.98 0.33 -0.07 -0.60 0.00 0.00 178.31 178.94 1xx1 h LEU 24 N 0.50 0.65 -1.66 1.54 3.38 -0.90 -1.91 115.31 116.91 1xx1 h LEU 24 Ca 0.03 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1xx1 h LEU 24 Cb 1.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1xx1 h LEU 24 CO 0.09 0.51 0.26 0.44 0.09 0.00 0.00 178.44 179.84 1xx1 h ASP 25 N 0.73 0.39 0.73 -0.43 3.32 0.04 0.13 116.42 121.32 1xx1 h ASP 25 Ca 0.19 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1xx1 h ASP 25 Cb -0.02 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1xx1 h ASP 25 CO -0.04 0.27 0.00 -0.07 -1.72 0.00 0.00 179.24 177.68 1xx1 h LEU 26 N 0.45 0.00 0.00 1.55 3.38 -0.41 -3.46 115.31 116.82 1xx1 h LEU 26 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1xx1 h LEU 26 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xx1 h LEU 26 CO -0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.10 1xx1 n GLY 27 N -0.27 0.76 3.77 0.83 0.00 0.45 -2.15 105.19 108.59 1xx1 n GLY 27 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1xx1 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xx1 s ALA 28 N -1.65 3.35 -2.34 4.61 0.00 -0.89 -4.89 121.76 119.94 1xx1 s ALA 28 Ca 0.00 1.22 0.20 0.00 0.00 0.00 0.00 51.96 53.38 1xx1 s ALA 28 Cb 0.00 -3.47 0.24 0.00 0.00 0.00 0.00 23.12 19.89 1xx1 s ALA 28 CO 0.00 -0.72 1.20 0.27 0.00 0.00 0.00 175.76 176.52 1xx1 n ASN 29 N 0.40 2.88 -3.65 0.00 0.23 -0.92 -4.54 115.26 109.66 1xx1 n ASN 29 Ca 0.02 -1.87 -0.10 0.00 -0.53 0.00 0.00 54.58 52.10 1xx1 n ASN 29 Cb 0.43 -0.09 -0.04 0.00 -2.08 0.00 0.00 39.78 38.00 1xx1 n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xx1 s ALA 30 N -1.54 -0.93 0.08 -2.53 0.00 -0.93 -0.25 121.76 115.67 1xx1 s ALA 30 Ca 0.27 -0.08 -0.05 0.00 0.00 0.00 0.00 51.96 52.10 1xx1 s ALA 30 Cb 0.18 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 24.02 1xx1 s ALA 30 CO 0.26 -0.68 0.10 -0.48 0.00 0.00 0.00 175.76 174.96 1xx1 s LEU 31 N -2.82 1.84 -0.06 0.00 0.05 -0.95 -0.45 118.68 116.30 1xx1 s LEU 31 Ca 0.04 -0.86 0.06 0.00 0.05 0.00 0.00 54.13 53.42 1xx1 s LEU 31 Cb 0.01 0.65 -0.01 0.00 -2.05 0.00 0.00 46.19 44.79 1xx1 s LEU 31 CO -0.10 -0.69 -0.24 -0.70 -0.55 0.00 0.00 176.35 174.07 1xx1 s GLU 32 N -3.91 2.54 0.04 1.48 -6.30 0.77 -0.27 118.70 113.05 1xx1 s GLU 32 Ca 0.09 -0.89 0.05 0.00 -2.50 0.00 0.00 54.97 51.72 1xx1 s GLU 32 Cb 0.06 -2.18 -0.02 0.00 0.00 0.00 0.00 34.13 31.99 1xx1 s GLU 32 CO -0.08 0.40 -0.16 0.00 0.02 0.00 0.00 175.26 175.44 1xx1 s ALA 33 N -0.22 1.34 -0.33 6.30 0.00 -0.09 -0.38 121.76 128.38 1xx1 s ALA 33 Ca -0.02 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 50.92 1xx1 s ALA 33 Cb -0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 1xx1 s ALA 33 CO 0.03 0.28 0.35 -0.51 0.00 0.00 0.00 175.76 175.91 1xx1 s ASP 34 N -1.08 6.17 -0.36 0.00 1.01 -1.26 -0.13 116.67 121.02 1xx1 s ASP 34 Ca 0.04 -0.16 -0.14 0.00 0.71 0.00 0.00 52.55 53.00 1xx1 s ASP 34 Cb -0.08 -2.19 -0.01 0.00 1.01 0.00 0.00 42.92 41.65 1xx1 s ASP 34 CO 0.01 -0.30 0.29 -0.69 0.21 0.00 0.00 175.17 174.69 1xx1 s VAL 35 N 2.00 5.25 0.47 -1.27 1.01 0.10 -0.30 120.40 127.66 1xx1 s VAL 35 Ca 0.12 -0.24 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 1xx1 s VAL 35 Cb -0.16 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 1xx1 s VAL 35 CO 0.11 -0.10 0.88 0.42 0.00 0.00 0.00 175.10 176.41 1xx1 s THR 36 N 1.80 4.70 0.01 3.92 -4.23 0.99 -0.70 115.64 122.12 1xx1 s THR 36 Ca 0.07 0.82 0.07 0.00 -1.18 0.00 0.00 61.69 61.48 1xx1 s THR 36 Cb -0.17 -3.76 -0.02 0.00 1.34 0.00 0.00 72.50 69.89 1xx1 s THR 36 CO 0.11 -0.68 -0.21 -0.36 -0.54 0.00 0.00 174.62 172.94 1xx1 s PHE 37 N -2.59 1.88 -0.34 3.99 0.08 -1.26 -0.28 117.98 119.46 1xx1 s PHE 37 Ca 0.54 -0.36 -0.04 0.00 0.12 0.00 0.00 56.93 57.19 1xx1 s PHE 37 Cb -0.10 -1.17 0.06 0.00 -0.57 0.00 0.00 43.02 41.23 1xx1 s PHE 37 CO 0.35 0.02 0.09 0.21 -0.10 0.00 0.00 175.22 175.79 1xx1 s LYS 38 N -0.77 2.42 5.46 0.44 2.20 0.26 -4.90 119.74 124.85 1xx1 s LYS 38 Ca 0.08 -1.35 0.00 0.00 -0.36 0.00 0.00 55.97 54.34 1xx1 s LYS 38 Cb -0.08 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1xx1 s LYS 38 CO 0.00 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 174.66 1xx1 n GLY 39 N 4.70 3.14 0.37 5.54 0.00 -1.26 -1.10 105.19 116.57 1xx1 n GLY 39 Ca -0.11 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.85 1xx1 n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xx1 n SER 40 N 3.01 1.08 -4.49 1.61 3.41 -1.26 -4.80 113.62 112.17 1xx1 n SER 40 Ca 0.00 -1.80 -0.42 0.00 -0.26 0.00 0.00 58.87 56.39 1xx1 n SER 40 Cb 0.00 -0.10 -0.10 0.00 -0.26 0.00 0.00 64.21 63.74 1xx1 n SER 40 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1xx1 s VAL 41 N -1.79 5.26 0.04 -3.33 1.01 -0.26 -3.84 120.40 117.49 1xx1 s VAL 41 Ca 0.22 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 1xx1 s VAL 41 Cb 0.11 -3.84 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 1xx1 s VAL 41 CO 0.17 -0.18 1.53 -2.16 0.00 0.00 0.00 175.10 174.46 1xx1 s PRO 42 N 1.72 4.24 -0.01 2.72 0.04 -1.26 -0.58 135.00 141.88 1xx1 s PRO 42 Ca 0.06 2.16 -0.03 0.00 0.04 0.00 0.00 61.00 63.24 1xx1 s PRO 42 Cb -0.18 -3.57 -0.02 0.00 0.04 0.00 0.00 34.50 30.77 1xx1 s PRO 42 CO 0.10 -0.65 -0.06 2.41 0.04 0.00 0.00 177.00 178.84 1xx1 n THR 43 N 4.66 0.67 -4.34 1.26 -1.04 0.62 -4.77 114.28 111.34 1xx1 n THR 43 Ca 0.14 0.11 -0.18 0.00 -2.04 0.00 0.00 64.05 62.09 1xx1 n THR 43 Cb 0.42 -1.62 -0.10 0.00 -1.82 0.00 0.00 70.33 67.20 1xx1 n THR 43 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1xx1 s TYR 44 N -2.11 1.64 -0.31 -1.42 1.51 -1.24 -0.75 117.35 114.66 1xx1 s TYR 44 Ca -0.06 -0.77 -0.15 0.00 -1.01 0.00 0.00 57.07 55.09 1xx1 s TYR 44 Cb 0.02 -0.89 -0.02 0.00 -0.11 0.00 0.00 41.96 40.95 1xx1 s TYR 44 CO 0.08 0.14 0.37 0.95 -1.11 0.00 0.00 175.55 175.98 1xx1 s THR 45 N -3.21 5.16 -0.29 -0.71 -4.23 0.80 -0.01 115.64 113.16 1xx1 s THR 45 Ca 0.25 0.26 -0.25 0.00 -1.18 0.00 0.00 61.69 60.78 1xx1 s THR 45 Cb 0.03 -3.78 0.14 0.00 1.34 0.00 0.00 72.50 70.24 1xx1 s THR 45 CO 0.08 -0.00 1.12 -0.47 -0.54 0.00 0.00 174.62 174.81 1xx1 s TYR 46 N 2.06 -0.39 -0.15 3.99 5.04 0.58 -1.39 117.35 127.10 1xx1 s TYR 46 Ca 0.13 0.93 -0.13 0.00 -2.44 0.00 0.00 57.07 55.57 1xx1 s TYR 46 Cb -0.16 0.39 -0.06 0.00 0.35 0.00 0.00 41.96 42.47 1xx1 s TYR 46 CO 0.11 -0.19 -0.27 1.58 -1.34 0.00 0.00 175.55 175.45 1xx1 n HIS 47 N 2.14 0.00 0.00 4.97 -0.00 -1.26 -4.59 115.22 116.49 1xx1 n HIS 47 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 1xx1 n HIS 47 Cb 0.56 -0.51 0.00 0.00 -0.00 0.00 0.00 29.99 30.04 1xx1 n HIS 47 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xx1 n GLY 48 N 1.85 -0.03 3.86 1.57 0.00 0.42 -4.96 105.19 107.90 1xx1 n GLY 48 Ca -0.22 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 43.72 1xx1 n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xx1 s THR 49 N -2.22 4.72 0.59 2.61 -4.23 -1.26 -4.20 115.64 111.64 1xx1 s THR 49 Ca 0.00 0.82 -0.12 0.00 -1.18 0.00 0.00 61.69 61.21 1xx1 s THR 49 Cb 0.00 -3.67 -0.05 0.00 1.34 0.00 0.00 72.50 70.12 1xx1 s THR 49 CO 0.00 -0.36 1.01 -2.16 -0.54 0.00 0.00 174.62 172.56 1xx1 s PRO 50 N -3.43 3.66 0.28 3.99 0.04 -1.26 -5.16 135.00 133.12 1xx1 s PRO 50 Ca 0.53 0.76 0.01 0.00 0.04 0.00 0.00 61.00 62.34 1xx1 s PRO 50 Cb -0.10 -2.11 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 1xx1 s PRO 50 CO 0.24 -0.50 0.34 0.00 0.04 0.00 0.00 177.00 177.13 1xx1 n ASP 52 N -1.79 1.48 -4.60 0.00 8.00 -1.26 -4.91 116.55 113.47 1xx1 n ASP 52 Ca 0.02 1.07 -0.42 0.00 0.71 0.00 0.00 54.79 56.17 1xx1 n ASP 52 Cb 0.48 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 1xx1 n ASP 52 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1xx1 n PHE 53 N -0.32 1.19 -0.78 1.24 3.72 -1.26 -2.19 117.46 119.06 1xx1 n PHE 53 Ca 0.09 0.60 0.00 0.00 -0.05 0.00 0.00 57.45 58.09 1xx1 n PHE 53 Cb 0.38 -2.23 0.00 0.00 -0.94 0.00 0.00 39.48 36.69 1xx1 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xx1 n GLY 54 N 1.20 0.66 3.07 1.37 0.00 -1.26 -5.02 105.19 105.20 1xx1 n GLY 54 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1xx1 n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xx1 s ARG 55 N -0.22 1.17 0.21 1.61 1.81 -0.93 -5.12 118.95 117.48 1xx1 s ARG 55 Ca 0.00 -0.44 -0.30 0.00 -1.72 0.00 0.00 55.73 53.27 1xx1 s ARG 55 Cb 0.00 -1.09 -0.08 0.00 -0.45 0.00 0.00 34.95 33.33 1xx1 s ARG 55 CO 0.00 0.21 1.17 -0.51 -0.68 0.00 0.00 175.30 175.49 1xx1 s ASP 56 N -0.05 7.13 0.00 0.23 1.01 -1.26 -4.79 116.67 118.94 1xx1 s ASP 56 Ca 0.00 2.24 0.22 0.00 0.71 0.00 0.00 52.55 55.72 1xx1 s ASP 56 Cb -0.08 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 1xx1 s ASP 56 CO 0.00 -0.31 1.03 0.00 0.21 0.00 0.00 175.17 176.10 1xx1 n ILE 58 N -1.51 1.94 -2.09 0.00 -5.35 -1.26 -0.44 119.36 110.65 1xx1 n ILE 58 Ca 0.04 -2.07 -0.35 0.00 -0.27 0.00 0.00 62.75 60.10 1xx1 n ILE 58 Cb 0.33 -0.19 0.02 0.00 -1.74 0.00 0.00 39.64 38.06 1xx1 n ILE 58 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1xx1 s ARG 59 N -2.73 3.12 0.15 6.28 1.81 -1.26 -4.97 118.95 121.34 1xx1 s ARG 59 Ca 0.33 1.67 -0.25 0.00 -1.72 0.00 0.00 55.73 55.77 1xx1 s ARG 59 Cb 0.28 -1.97 0.06 0.00 -0.45 0.00 0.00 34.95 32.88 1xx1 s ARG 59 CO 0.05 -1.05 0.87 1.67 -0.68 0.00 0.00 175.30 176.16 1xx1 s TRP 60 N -1.77 -0.22 0.05 -0.53 1.48 -1.24 -4.37 118.94 112.35 1xx1 s TRP 60 Ca 0.74 -0.08 -0.20 0.00 -1.06 0.00 0.00 56.10 55.50 1xx1 s TRP 60 Cb -0.26 0.63 0.05 0.00 -1.16 0.00 0.00 33.47 32.72 1xx1 s TRP 60 CO 0.31 -0.85 0.47 -2.00 -4.06 0.00 0.00 176.95 170.83 1xx1 s GLU 61 N -3.41 1.00 0.29 3.25 2.56 -0.49 -4.34 118.70 117.57 1xx1 s GLU 61 Ca 0.10 -0.32 -0.29 0.00 0.00 0.00 0.00 54.97 54.45 1xx1 s GLU 61 Cb -0.02 0.45 -0.10 0.00 2.00 0.00 0.00 34.13 36.46 1xx1 s GLU 61 CO -0.00 -0.36 1.42 0.71 -0.56 0.00 0.00 175.26 176.47 1xx1 s TYR 62 N -2.57 2.95 0.17 5.30 2.02 -1.26 -0.14 117.35 123.82 1xx1 s TYR 62 Ca -0.05 1.13 -0.15 0.00 -0.37 0.00 0.00 57.07 57.63 1xx1 s TYR 62 Cb -0.01 -3.83 0.13 0.00 -0.40 0.00 0.00 41.96 37.85 1xx1 s TYR 62 CO -0.03 -2.56 1.70 0.35 -1.57 0.00 0.00 175.55 173.44 1xx1 h PHE 63 N 4.34 0.01 -0.71 2.71 3.57 -1.20 0.17 116.94 125.83 1xx1 h PHE 63 Ca -0.47 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.10 1xx1 h PHE 63 Cb 1.22 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.97 1xx1 h PHE 63 CO 0.58 -0.07 0.43 -2.95 -2.23 0.00 0.00 178.31 174.07 1xx1 h ASN 64 N 0.13 0.69 -0.55 0.41 -1.07 -1.88 -1.15 115.58 112.15 1xx1 h ASN 64 Ca 0.21 0.01 -0.11 0.00 0.07 0.00 0.00 56.30 56.48 1xx1 h ASN 64 Cb 0.29 -0.13 -0.02 0.00 -2.07 0.00 0.00 38.32 36.39 1xx1 h ASN 64 CO -0.33 0.46 -0.07 0.58 0.07 0.00 0.00 177.43 178.14 1xx1 h VAL 65 N 0.82 1.27 -0.63 6.14 2.07 -1.72 -1.01 116.25 123.19 1xx1 h VAL 65 Ca 0.30 -1.22 0.01 0.00 0.82 0.00 0.00 66.70 66.61 1xx1 h VAL 65 Cb 0.08 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1xx1 h VAL 65 CO -0.14 0.44 0.41 0.15 0.02 0.00 0.00 177.57 178.45 1xx1 h PHE 66 N 0.92 0.78 -0.52 1.57 3.57 -0.43 -1.60 116.94 121.24 1xx1 h PHE 66 Ca 0.15 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.55 1xx1 h PHE 66 Cb 0.63 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1xx1 h PHE 66 CO 0.04 0.48 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.38 1xx1 h LEU 67 N 0.84 1.02 -1.23 0.59 3.38 -0.65 0.15 115.31 119.41 1xx1 h LEU 67 Ca 0.23 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1xx1 h LEU 67 Cb -0.08 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.35 1xx1 h LEU 67 CO -0.06 1.15 0.54 0.11 0.09 0.00 0.00 178.44 180.27 1xx1 h LYS 68 N 0.88 0.97 -0.22 1.13 1.57 -0.93 0.16 116.57 120.14 1xx1 h LYS 68 Ca 0.13 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 1xx1 h LYS 68 Cb 0.72 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1xx1 h LYS 68 CO 0.06 0.64 -0.47 1.15 -0.57 0.00 0.00 179.45 180.26 1xx1 h THR 69 N 1.00 1.31 -0.89 -0.16 2.02 -0.81 -2.19 112.91 113.19 1xx1 h THR 69 Ca 0.33 -1.69 0.12 0.00 0.77 0.00 0.00 66.41 65.93 1xx1 h THR 69 Cb 0.06 1.83 -0.08 0.00 -1.74 0.00 0.00 68.15 68.21 1xx1 h THR 69 CO -0.10 0.53 0.51 -0.07 0.37 0.00 0.00 175.52 176.77 1xx1 h LEU 70 N 0.41 0.72 -0.20 2.58 3.38 -0.43 -1.92 115.31 119.85 1xx1 h LEU 70 Ca 0.00 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1xx1 h LEU 70 Cb 1.08 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1xx1 h LEU 70 CO 0.10 0.38 0.08 -0.09 0.09 0.00 0.00 178.44 179.00 1xx1 h ARG 71 N 0.81 0.18 -0.44 1.13 2.43 -0.73 -2.23 114.38 115.53 1xx1 h ARG 71 Ca 0.45 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.65 1xx1 h ARG 71 Cb 0.48 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 1xx1 h ARG 71 CO -0.28 0.12 0.20 0.93 -1.51 0.00 0.00 179.97 179.42 1xx1 h GLU 72 N 0.18 0.38 0.00 0.20 5.08 -0.76 0.11 114.58 119.78 1xx1 h GLU 72 Ca 0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1xx1 h GLU 72 Cb 0.04 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1xx1 h GLU 72 CO -0.08 0.25 0.00 0.66 -1.00 0.00 0.00 179.01 178.85 1xx1 n TYR 73 N -4.95 0.41 -1.22 4.33 4.01 -0.78 -3.22 117.16 115.74 1xx1 n TYR 73 Ca 0.03 0.18 0.03 0.00 -0.16 0.00 0.00 57.90 57.98 1xx1 n TYR 73 Cb 0.13 -0.78 0.04 0.00 -0.31 0.00 0.00 39.34 38.43 1xx1 n TYR 73 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1xx1 n THR 74 N -1.89 0.75 -3.73 -0.72 -2.24 -0.36 -0.58 114.28 105.52 1xx1 n THR 74 Ca 0.02 -0.87 -0.38 0.00 -2.27 0.00 0.00 64.05 60.55 1xx1 n THR 74 Cb 0.14 0.36 -0.12 0.00 -2.10 0.00 0.00 70.33 68.61 1xx1 n THR 74 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xx1 s THR 75 N -1.06 4.00 0.39 4.28 2.01 -0.12 -0.13 115.64 125.01 1xx1 s THR 75 Ca 0.10 -0.93 -0.26 0.00 0.31 0.00 0.00 61.69 60.90 1xx1 s THR 75 Cb 0.09 -3.19 -0.11 0.00 0.01 0.00 0.00 72.50 69.30 1xx1 s THR 75 CO 0.01 -0.10 1.30 -2.65 -0.69 0.00 0.00 174.62 172.49 1xx1 n PRO 76 N 4.86 2.07 0.00 4.92 -0.02 -1.26 -1.04 135.00 144.54 1xx1 n PRO 76 Ca -0.13 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1xx1 n PRO 76 Cb 0.46 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1xx1 n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xx1 n GLY 77 N 0.76 2.48 3.77 -1.23 0.00 -1.26 -5.04 105.19 104.67 1xx1 n GLY 77 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1xx1 n GLY 77 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xx1 s ASN 78 N -2.38 6.44 0.37 1.61 3.84 -0.20 -4.92 114.94 119.70 1xx1 s ASN 78 Ca 0.00 2.26 0.10 0.00 0.21 0.00 0.00 52.86 55.42 1xx1 s ASN 78 Cb 0.00 -2.60 0.85 0.00 -0.55 0.00 0.00 41.25 38.94 1xx1 s ASN 78 CO 0.00 -0.72 1.90 0.00 -2.79 0.00 0.00 177.10 175.48 1xx1 h ALA 79 N 2.38 1.86 -0.00 1.71 0.00 -1.88 -0.93 119.26 122.39 1xx1 h ALA 79 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xx1 h ALA 79 Cb 1.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1xx1 h ALA 79 CO 0.62 -0.07 -0.09 1.63 0.00 0.00 0.00 179.25 181.33 1xx1 n LYS 80 N -4.53 0.37 -1.66 0.00 5.02 -1.26 -4.96 118.16 111.15 1xx1 n LYS 80 Ca 0.15 -0.08 -0.48 0.00 -2.02 0.00 0.00 58.31 55.88 1xx1 n LYS 80 Cb 0.43 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 1xx1 n LYS 80 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1xx1 n TYR 81 N -1.24 2.17 -4.04 2.13 9.36 -0.36 -4.38 117.16 120.81 1xx1 n TYR 81 Ca 0.12 0.27 -0.32 0.00 3.32 0.00 0.00 57.90 61.29 1xx1 n TYR 81 Cb 0.29 -2.54 -0.15 0.00 -0.63 0.00 0.00 39.34 36.31 1xx1 n TYR 81 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1xx1 s ARG 82 N 1.65 1.95 0.21 2.98 1.81 0.25 -4.97 118.95 122.84 1xx1 s ARG 82 Ca 0.83 -1.43 0.22 0.00 -1.72 0.00 0.00 55.73 53.63 1xx1 s ARG 82 Cb -0.74 -2.91 0.92 0.00 -0.45 0.00 0.00 34.95 31.77 1xx1 s ARG 82 CO 0.43 -0.67 1.66 -0.40 -0.68 0.00 0.00 175.30 175.64 1xx1 n ASP 83 N 4.42 0.55 -0.08 0.23 5.75 -1.26 -1.98 116.55 124.18 1xx1 n ASP 83 Ca -0.09 0.64 0.13 0.00 -0.01 0.00 0.00 54.79 55.46 1xx1 n ASP 83 Cb 0.42 -0.75 0.50 0.00 -1.03 0.00 0.00 41.12 40.26 1xx1 n ASP 83 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xx1 n GLY 84 N -0.06 -1.08 3.43 6.12 0.00 -1.26 -4.62 105.19 107.71 1xx1 n GLY 84 Ca 0.02 -0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.33 1xx1 n GLY 84 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xx1 s PHE 85 N -2.71 3.13 -0.15 1.61 5.36 -0.84 -4.30 117.98 120.09 1xx1 s PHE 85 Ca 0.21 -0.67 0.03 0.00 -0.96 0.00 0.00 56.93 55.55 1xx1 s PHE 85 Cb 0.19 -3.37 -0.04 0.00 -0.34 0.00 0.00 43.02 39.47 1xx1 s PHE 85 CO 0.55 -0.93 0.14 0.44 -1.46 0.00 0.00 175.22 173.96 1xx1 n ILE 86 N 5.46 0.00 -3.60 3.12 -5.35 0.66 -4.63 119.36 115.01 1xx1 n ILE 86 Ca -0.09 -0.39 -0.13 0.00 -0.27 0.00 0.00 62.75 61.87 1xx1 n ILE 86 Cb 0.45 0.95 -0.07 0.00 -1.74 0.00 0.00 39.64 39.23 1xx1 n ILE 86 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1xx1 s LEU 87 N -2.26 -0.60 0.06 7.28 0.20 -1.20 -0.78 118.68 121.39 1xx1 s LEU 87 Ca 0.01 0.98 0.03 0.00 0.69 0.00 0.00 54.13 55.84 1xx1 s LEU 87 Cb 0.03 2.24 -0.03 0.00 -0.43 0.00 0.00 46.19 48.00 1xx1 s LEU 87 CO 0.14 -0.32 -0.10 0.72 -0.29 0.00 0.00 176.35 176.51 1xx1 s PHE 88 N -0.23 0.88 -0.17 5.38 -0.12 0.40 -2.24 117.98 121.89 1xx1 s PHE 88 Ca -0.02 -0.52 -0.04 0.00 -0.05 0.00 0.00 56.93 56.30 1xx1 s PHE 88 Cb -0.03 -0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 41.82 1xx1 s PHE 88 CO 0.01 -0.04 -0.03 0.08 -0.05 0.00 0.00 175.22 175.20 1xx1 s VAL 89 N -1.56 3.90 -0.47 -2.49 1.01 0.63 -0.48 120.40 120.94 1xx1 s VAL 89 Ca -0.05 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.41 1xx1 s VAL 89 Cb -0.09 -2.73 0.05 0.00 0.00 0.00 0.00 36.38 33.62 1xx1 s VAL 89 CO 0.01 0.48 0.47 -0.76 0.00 0.00 0.00 175.10 175.29 1xx1 s LEU 90 N 0.54 5.21 -0.85 3.92 1.43 0.58 -0.91 118.68 128.61 1xx1 s LEU 90 Ca -0.02 -1.02 -0.24 0.00 -1.03 0.00 0.00 54.13 51.82 1xx1 s LEU 90 Cb -0.14 -2.31 0.05 0.00 0.03 0.00 0.00 46.19 43.82 1xx1 s LEU 90 CO 0.03 -0.69 1.27 -0.62 0.23 0.00 0.00 176.35 176.57 1xx1 s ASP 91 N 2.38 6.33 -0.27 2.29 2.15 0.81 -0.84 116.67 129.52 1xx1 s ASP 91 Ca 0.09 -1.05 -0.21 0.00 0.43 0.00 0.00 52.55 51.81 1xx1 s ASP 91 Cb -0.21 -2.52 -0.01 0.00 -0.30 0.00 0.00 42.92 39.87 1xx1 s ASP 91 CO 0.10 -1.58 0.66 -0.76 -0.17 0.00 0.00 175.17 173.42 1xx1 s LEU 92 N 4.90 4.08 -1.29 -1.34 1.43 -0.03 -0.72 118.68 125.71 1xx1 s LEU 92 Ca 0.37 0.66 -0.09 0.00 -1.03 0.00 0.00 54.13 54.03 1xx1 s LEU 92 Cb -0.06 -2.89 0.16 0.00 0.03 0.00 0.00 46.19 43.43 1xx1 s LEU 92 CO 0.03 -0.43 1.93 0.29 0.23 0.00 0.00 176.35 178.41 1xx1 n LYS 93 N 5.81 3.67 -0.19 1.70 4.76 0.12 -4.30 118.16 129.74 1xx1 n LYS 93 Ca 0.00 -3.48 0.11 0.00 -2.87 0.00 0.00 58.31 52.08 1xx1 n LYS 93 Cb 0.49 -2.91 0.25 0.00 -1.84 0.00 0.00 35.03 31.01 1xx1 n LYS 93 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1xx1 n THR 94 N 3.27 0.49 -0.25 -0.18 -2.24 -1.26 -4.21 114.28 109.91 1xx1 n THR 94 Ca 0.42 -0.69 0.25 0.00 -2.27 0.00 0.00 64.05 61.75 1xx1 n THR 94 Cb 0.35 0.81 0.60 0.00 -2.10 0.00 0.00 70.33 70.00 1xx1 n THR 94 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xx1 h GLY 95 N 4.64 0.58 -2.32 3.38 0.00 -1.94 0.28 103.07 107.69 1xx1 h GLY 95 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1xx1 h GLY 95 CO 0.00 -0.03 0.00 1.44 0.00 0.00 0.00 176.54 177.95 1xx1 n SER 96 N -4.43 3.52 -4.77 0.19 7.64 -1.26 -4.97 113.62 109.54 1xx1 n SER 96 Ca 0.21 -1.98 -0.37 0.00 1.01 0.00 0.00 58.87 57.73 1xx1 n SER 96 Cb 0.87 -0.29 -0.01 0.00 -1.01 0.00 0.00 64.21 63.78 1xx1 n SER 96 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xx1 s LEU 97 N -1.37 4.02 0.66 -3.43 1.43 0.09 -5.02 118.68 115.06 1xx1 s LEU 97 Ca 0.39 2.35 -0.13 0.00 -1.03 0.00 0.00 54.13 55.71 1xx1 s LEU 97 Cb 0.23 -4.22 -0.01 0.00 0.03 0.00 0.00 46.19 42.22 1xx1 s LEU 97 CO 0.31 -0.94 1.06 -0.94 0.23 0.00 0.00 176.35 176.08 1xx1 s SER 98 N -1.30 5.45 0.27 2.29 1.04 -1.26 -4.92 113.70 115.27 1xx1 s SER 98 Ca 0.63 1.75 -0.04 0.00 0.48 0.00 0.00 55.95 58.77 1xx1 s SER 98 Cb -0.30 -2.52 0.56 0.00 0.10 0.00 0.00 66.02 63.86 1xx1 s SER 98 CO 0.36 -1.40 1.61 0.78 0.98 0.00 0.00 173.24 175.58 1xx1 h ASN 99 N -0.22 -0.41 0.45 7.02 -0.26 -1.99 0.07 115.58 120.24 1xx1 h ASN 99 Ca -0.45 0.23 0.00 0.00 -0.56 0.00 0.00 56.30 55.52 1xx1 h ASN 99 Cb 1.22 0.41 0.00 0.00 -1.06 0.00 0.00 38.32 38.89 1xx1 h ASN 99 CO 0.56 -0.25 0.00 0.44 -1.06 0.00 0.00 177.43 177.13 1xx1 h ASP 100 N 0.07 0.00 0.56 5.81 3.32 -2.03 -2.62 116.42 121.52 1xx1 h ASP 100 Ca 0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 1xx1 h ASP 100 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1xx1 h ASP 100 CO -0.78 0.00 -0.80 0.00 -1.72 0.00 0.00 179.24 175.94 1xx1 n GLN 101 N -2.86 0.22 -0.01 3.56 6.02 0.00 -4.42 117.38 119.89 1xx1 n GLN 101 Ca -0.01 0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 56.88 1xx1 n GLN 101 Cb 0.17 -1.60 -0.09 0.00 1.02 0.00 0.00 30.24 29.74 1xx1 n GLN 101 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1xx1 h VAL 102 N 0.00 1.32 0.05 5.09 2.07 -1.39 -0.78 116.25 122.61 1xx1 h VAL 102 Ca 0.00 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1xx1 h VAL 102 Cb 0.68 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1xx1 h VAL 102 CO 0.00 0.26 -0.02 -0.09 0.02 0.00 0.00 177.57 177.73 1xx1 h ARG 103 N -0.34 -0.07 -0.85 1.57 2.43 -1.76 -1.94 114.38 113.43 1xx1 h ARG 103 Ca 0.01 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.31 1xx1 h ARG 103 Cb 0.42 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.92 1xx1 h ARG 103 CO 0.00 0.16 0.55 -1.35 -1.51 0.00 0.00 179.97 177.82 1xx1 h PRO 104 N -0.29 0.66 -0.50 0.20 0.11 -1.77 -0.43 132.00 129.99 1xx1 h PRO 104 Ca -0.01 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1xx1 h PRO 104 Cb 0.26 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 1xx1 h PRO 104 CO 0.01 0.44 0.31 0.00 -0.21 0.00 0.00 178.00 178.55 1xx1 h ALA 105 N 1.60 0.63 -0.32 -0.75 0.00 -0.77 0.26 119.26 119.92 1xx1 h ALA 105 Ca 0.41 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1xx1 h ALA 105 Cb 0.64 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1xx1 h ALA 105 CO -0.17 0.11 0.16 0.78 0.00 0.00 0.00 179.25 180.13 1xx1 h GLY 106 N 0.66 0.43 0.79 0.00 0.00 -0.51 -0.45 103.07 104.00 1xx1 h GLY 106 Ca 0.18 -0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.43 1xx1 h GLY 106 CO -0.03 0.10 0.42 0.83 0.00 0.00 0.00 176.54 177.86 1xx1 h GLU 107 N 0.34 0.78 -0.58 4.80 5.08 -0.76 -0.94 114.58 123.31 1xx1 h GLU 107 Ca 0.13 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1xx1 h GLU 107 Cb 0.03 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1xx1 h GLU 107 CO -0.08 0.52 0.11 -0.91 -1.00 0.00 0.00 179.01 177.65 1xx1 h ASN 108 N 0.81 0.90 -0.59 1.42 2.35 0.08 0.01 115.58 120.55 1xx1 h ASN 108 Ca 0.29 -0.25 -0.09 0.00 -0.55 0.00 0.00 56.30 55.71 1xx1 h ASN 108 Cb 0.09 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1xx1 h ASN 108 CO -0.14 0.92 0.02 0.58 -1.65 0.00 0.00 177.43 177.16 1xx1 h VAL 109 N 0.84 1.26 -0.22 2.81 2.07 -0.86 -0.39 116.25 121.77 1xx1 h VAL 109 Ca 0.18 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.60 1xx1 h VAL 109 Cb 0.39 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1xx1 h VAL 109 CO 0.01 0.40 0.13 0.00 0.02 0.00 0.00 177.57 178.13 1xx1 h ALA 110 N 0.99 0.27 -0.86 1.67 0.00 -0.91 0.10 119.26 120.52 1xx1 h ALA 110 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xx1 h ALA 110 Cb 0.52 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1xx1 h ALA 110 CO 0.03 -0.27 0.54 0.87 0.00 0.00 0.00 179.25 180.42 1xx1 h LYS 111 N 0.27 1.15 -0.25 0.00 1.57 -0.75 0.34 116.57 118.90 1xx1 h LYS 111 Ca 0.08 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1xx1 h LYS 111 Cb -0.01 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1xx1 h LYS 111 CO -0.04 0.79 0.15 0.93 -0.57 0.00 0.00 179.45 180.71 1xx1 h GLU 112 N 1.17 0.34 -0.36 3.15 4.39 -0.65 0.31 114.58 122.94 1xx1 h GLU 112 Ca 0.31 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.93 1xx1 h GLU 112 Cb -0.09 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 1xx1 h GLU 112 CO -0.06 0.28 0.02 -0.07 -1.16 0.00 0.00 179.01 178.03 1xx1 h LEU 113 N 0.31 0.61 -0.11 1.33 3.38 -0.34 0.70 115.31 121.18 1xx1 h LEU 113 Ca 0.09 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1xx1 h LEU 113 Cb 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1xx1 h LEU 113 CO -0.02 0.75 0.03 0.25 0.09 0.00 0.00 178.44 179.54 1xx1 h LEU 114 N 0.45 0.02 -0.13 1.67 5.85 -0.16 0.29 115.31 123.29 1xx1 h LEU 114 Ca 0.11 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 1xx1 h LEU 114 Cb 0.42 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1xx1 h LEU 114 CO 0.01 0.03 -0.29 -0.61 -0.34 0.00 0.00 178.44 177.25 1xx1 h GLN 115 N 0.08 0.42 0.00 1.25 4.15 -0.87 0.57 115.11 120.71 1xx1 h GLN 115 Ca 0.05 -0.28 -0.20 0.00 0.77 0.00 0.00 58.65 58.99 1xx1 h GLN 115 Cb 0.04 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 1xx1 h GLN 115 CO -0.06 0.89 -2.08 0.09 -1.93 0.00 0.00 178.83 175.74 1xx1 n ASN 116 N -4.42 0.66 -0.12 -0.69 3.02 0.23 -3.74 115.26 110.21 1xx1 n ASN 116 Ca -0.07 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.24 1xx1 n ASN 116 Cb 0.47 1.29 -0.08 0.00 -0.61 0.00 0.00 39.78 40.85 1xx1 n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xx1 n TYR 117 N -2.46 0.00 1.16 3.10 9.36 -0.03 -3.50 117.16 124.79 1xx1 n TYR 117 Ca -0.19 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.15 1xx1 n TYR 117 Cb 0.85 -0.82 0.31 0.00 -0.63 0.00 0.00 39.34 39.05 1xx1 n TYR 117 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 1xx1 n TRP 118 N -4.14 0.00 -4.19 2.98 8.01 0.80 -0.93 117.44 119.97 1xx1 n TRP 118 Ca -0.43 0.00 -0.31 0.00 -1.31 0.00 0.00 57.50 55.45 1xx1 n TRP 118 Cb 0.79 -0.14 -0.06 0.00 -2.01 0.00 0.00 31.31 29.89 1xx1 n TRP 118 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 1xx1 n ASN 119 N -0.86 -0.48 -3.03 -0.99 5.15 -0.19 -0.88 115.26 113.97 1xx1 n ASN 119 Ca 0.10 -1.13 -0.22 0.00 -0.60 0.00 0.00 54.58 52.73 1xx1 n ASN 119 Cb 0.35 -2.32 0.02 0.00 -0.53 0.00 0.00 39.78 37.30 1xx1 n ASN 119 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1xx1 n ASN 120 N -2.84 -5.34 0.00 1.20 4.13 0.18 -0.29 115.26 112.30 1xx1 n ASN 120 Ca -0.21 -0.27 0.00 0.00 1.68 0.00 0.00 54.58 55.78 1xx1 n ASN 120 Cb 0.64 -4.35 0.00 0.00 -1.54 0.00 0.00 39.78 34.52 1xx1 n ASN 120 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xx1 n GLY 121 N -1.35 1.81 3.43 7.41 0.00 -0.06 -4.98 105.19 111.46 1xx1 n GLY 121 Ca -0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 1xx1 n GLY 121 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xx1 s ASN 122 N -3.39 6.80 -1.23 1.61 0.02 0.60 -4.37 114.94 114.98 1xx1 s ASN 122 Ca 0.00 -2.47 -0.00 0.00 -1.02 0.00 0.00 52.86 49.37 1xx1 s ASN 122 Cb 0.00 -2.36 -0.00 0.00 0.02 0.00 0.00 41.25 38.90 1xx1 s ASN 122 CO 0.00 -0.87 0.89 -3.20 0.02 0.00 0.00 177.10 173.94 1xx1 n ASN 123 N 5.74 -1.85 -4.40 -1.22 4.05 -1.26 -4.73 115.26 111.59 1xx1 n ASN 123 Ca 0.26 -0.70 -0.28 0.00 0.45 0.00 0.00 54.58 54.31 1xx1 n ASN 123 Cb 0.47 -4.73 0.15 0.00 1.23 0.00 0.00 39.78 36.90 1xx1 n ASN 123 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1xx1 s GLY 124 N -4.33 1.75 0.54 8.20 0.00 -1.23 -4.90 107.32 107.35 1xx1 s GLY 124 Ca 0.02 -1.27 -0.20 0.00 0.00 0.00 0.00 44.72 43.26 1xx1 s GLY 124 CO 0.76 -0.61 1.17 -0.32 0.00 0.00 0.00 173.10 174.10 1xx1 s GLY 125 N -4.80 2.71 -0.00 0.20 0.00 -0.11 -4.63 107.32 100.70 1xx1 s GLY 125 Ca 0.70 0.92 0.17 0.00 0.00 0.00 0.00 44.72 46.52 1xx1 s GLY 125 CO 0.50 1.32 0.73 -0.96 0.00 0.00 0.00 173.10 174.68 1xx1 n ARG 126 N -1.17 1.15 -1.60 2.90 1.85 0.81 -4.81 116.66 115.80 1xx1 n ARG 126 Ca 0.11 -0.01 -0.34 0.00 -1.00 0.00 0.00 57.85 56.61 1xx1 n ARG 126 Cb 0.50 -1.34 0.07 0.00 -1.05 0.00 0.00 32.46 30.64 1xx1 n ARG 126 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xx1 s ALA 127 N -2.70 2.27 0.46 2.89 0.00 -1.26 -5.01 121.76 118.42 1xx1 s ALA 127 Ca 0.06 0.77 -0.20 0.00 0.00 0.00 0.00 51.96 52.59 1xx1 s ALA 127 Cb 0.13 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 1xx1 s ALA 127 CO 0.72 -1.60 0.97 0.71 0.00 0.00 0.00 175.76 176.56 1xx1 s TYR 128 N -2.08 3.32 -0.08 0.00 2.02 0.04 -4.89 117.35 115.69 1xx1 s TYR 128 Ca 0.72 1.57 0.04 0.00 -0.37 0.00 0.00 57.07 59.03 1xx1 s TYR 128 Cb -0.26 -2.85 0.00 0.00 -0.40 0.00 0.00 41.96 38.45 1xx1 s TYR 128 CO 0.43 -0.23 -0.19 0.08 -1.57 0.00 0.00 175.55 174.07 1xx1 s VAL 129 N -2.29 1.64 -0.24 0.71 1.01 0.11 -0.46 120.40 120.88 1xx1 s VAL 129 Ca 0.62 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 1xx1 s VAL 129 Cb -0.10 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1xx1 s VAL 129 CO 0.18 0.47 0.05 -0.69 0.00 0.00 0.00 175.10 175.11 1xx1 s VAL 130 N 0.39 4.14 -0.48 2.92 1.01 0.37 -0.13 120.40 128.61 1xx1 s VAL 130 Ca -0.14 -0.23 -0.26 0.00 0.00 0.00 0.00 61.98 61.34 1xx1 s VAL 130 Cb -0.16 -2.92 0.03 0.00 0.00 0.00 0.00 36.38 33.33 1xx1 s VAL 130 CO 0.06 0.36 0.99 -0.76 0.00 0.00 0.00 175.10 175.75 1xx1 s LEU 131 N 1.52 3.90 -0.27 3.92 1.43 0.43 -0.30 118.68 129.30 1xx1 s LEU 131 Ca 0.06 0.15 -0.07 0.00 -1.03 0.00 0.00 54.13 53.24 1xx1 s LEU 131 Cb -0.15 -3.24 -0.01 0.00 0.03 0.00 0.00 46.19 42.82 1xx1 s LEU 131 CO 0.02 -1.14 0.07 -0.55 0.23 0.00 0.00 176.35 174.99 1xx1 s SER 132 N 2.40 5.08 -0.05 2.29 0.15 -0.02 -0.40 113.70 123.15 1xx1 s SER 132 Ca 0.39 -0.42 0.05 0.00 0.70 0.00 0.00 55.95 56.67 1xx1 s SER 132 Cb -0.09 -1.90 -0.02 0.00 -1.71 0.00 0.00 66.02 62.30 1xx1 s SER 132 CO 0.27 -0.10 -0.18 -0.76 1.20 0.00 0.00 173.24 173.67 1xx1 s LEU 133 N 1.56 2.49 -0.06 3.45 1.43 0.16 -0.85 118.68 126.86 1xx1 s LEU 133 Ca 0.05 -0.31 0.14 0.00 -1.03 0.00 0.00 54.13 52.98 1xx1 s LEU 133 Cb -0.16 -1.49 0.51 0.00 0.03 0.00 0.00 46.19 45.09 1xx1 s LEU 133 CO 0.03 0.32 1.39 -0.81 0.23 0.00 0.00 176.35 177.50 1xx1 n PRO 134 N 2.50 2.80 -3.62 1.29 -0.04 -1.26 -1.33 135.00 135.34 1xx1 n PRO 134 Ca -0.17 -2.03 -0.14 0.00 -0.04 0.00 0.00 63.50 61.12 1xx1 n PRO 134 Cb 0.52 -1.65 -0.13 0.00 -0.04 0.00 0.00 33.50 32.20 1xx1 n PRO 134 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xx1 s ASP 135 N -0.84 0.52 0.47 3.54 -1.08 -0.25 -3.39 116.67 115.65 1xx1 s ASP 135 Ca 0.37 0.44 0.32 0.00 -0.52 0.00 0.00 52.55 53.16 1xx1 s ASP 135 Cb 0.23 0.65 1.54 0.00 -1.46 0.00 0.00 42.92 43.88 1xx1 s ASP 135 CO 0.19 -0.26 1.97 0.16 0.52 0.00 0.00 175.17 177.76 1xx1 h ILE 136 N 6.29 0.00 0.00 4.11 3.07 -0.93 0.21 117.51 130.27 1xx1 h ILE 136 Ca -0.15 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 66.06 1xx1 h ILE 136 Cb 1.12 1.04 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 1xx1 h ILE 136 CO 0.16 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.87 1xx1 n GLY 137 N -0.56 -0.84 1.70 0.16 0.00 -1.26 -3.63 105.19 100.76 1xx1 n GLY 137 Ca -0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1xx1 n GLY 137 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xx1 n HIS 138 N -1.07 1.83 0.29 1.61 8.25 0.75 -4.53 115.22 122.34 1xx1 n HIS 138 Ca 0.17 -1.15 0.15 0.00 -0.26 0.00 0.00 57.72 56.63 1xx1 n HIS 138 Cb 0.11 -0.62 0.85 0.00 1.12 0.00 0.00 29.99 31.46 1xx1 n HIS 138 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 1xx1 h TYR 139 N 1.14 0.00 0.00 4.41 -0.00 -1.78 -1.26 116.97 119.48 1xx1 h TYR 139 Ca 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 59.01 1xx1 h TYR 139 Cb 2.03 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.75 1xx1 h TYR 139 CO 0.95 0.05 -0.15 0.93 -0.00 0.00 0.00 178.16 179.95 1xx1 h GLU 140 N 0.00 0.00 -0.48 0.10 4.39 -1.91 -1.15 114.58 115.52 1xx1 h GLU 140 Ca -0.00 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.80 1xx1 h GLU 140 Cb 0.16 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.71 1xx1 h GLU 140 CO 0.01 0.15 -0.26 0.35 -1.16 0.00 0.00 179.01 178.10 1xx1 h PHE 141 N 0.00 -0.67 -0.47 4.33 3.57 -1.30 0.28 116.94 122.68 1xx1 h PHE 141 Ca -0.00 0.06 -0.13 0.00 3.53 0.00 0.00 57.97 61.43 1xx1 h PHE 141 Cb 0.30 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1xx1 h PHE 141 CO 0.00 -0.33 -0.21 0.28 -2.23 0.00 0.00 178.31 175.82 1xx1 h VAL 142 N -0.15 1.27 -0.37 1.41 2.07 -1.39 0.16 116.25 119.25 1xx1 h VAL 142 Ca 0.22 -1.36 0.02 0.00 0.82 0.00 0.00 66.70 66.39 1xx1 h VAL 142 Cb 0.50 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1xx1 h VAL 142 CO -0.57 0.47 0.21 0.03 0.02 0.00 0.00 177.57 177.72 1xx1 h ARG 143 N 0.82 0.41 -0.62 1.57 3.08 -0.81 0.21 114.38 119.04 1xx1 h ARG 143 Ca 0.11 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 1xx1 h ARG 143 Cb 0.77 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1xx1 h ARG 143 CO 0.06 0.27 0.04 0.78 -1.07 0.00 0.00 179.97 180.06 1xx1 h GLY 144 N 0.42 1.16 0.94 0.04 0.00 -0.30 -0.64 103.07 104.69 1xx1 h GLY 144 Ca 0.15 -0.82 -0.00 0.00 0.00 0.00 0.00 47.33 46.66 1xx1 h GLY 144 CO -0.08 0.76 -0.09 -2.75 0.00 0.00 0.00 176.54 174.37 1xx1 h PHE 145 N 0.98 -0.24 -0.75 5.60 3.57 -0.30 -1.88 116.94 123.92 1xx1 h PHE 145 Ca 0.18 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1xx1 h PHE 145 Cb 0.51 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 1xx1 h PHE 145 CO 0.04 -0.15 0.47 0.87 -2.23 0.00 0.00 178.31 177.31 1xx1 h LYS 146 N -0.23 0.88 -0.68 1.11 1.57 -0.51 -2.56 116.57 116.16 1xx1 h LYS 146 Ca -0.01 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1xx1 h LYS 146 Cb 0.20 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1xx1 h LYS 146 CO 0.01 0.58 0.41 1.49 -0.57 0.00 0.00 179.45 181.37 1xx1 h GLU 147 N 0.91 0.78 -0.44 3.15 4.81 -0.84 0.28 114.58 123.22 1xx1 h GLU 147 Ca 0.31 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1xx1 h GLU 147 Cb 0.05 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1xx1 h GLU 147 CO -0.12 0.51 0.19 0.28 -0.73 0.00 0.00 179.01 179.14 1xx1 h VAL 148 N 0.80 1.19 -0.62 0.32 2.07 -1.11 0.66 116.25 119.56 1xx1 h VAL 148 Ca 0.28 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 1xx1 h VAL 148 Cb 0.05 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1xx1 h VAL 148 CO -0.12 0.22 0.18 -0.07 0.02 0.00 0.00 177.57 177.79 1xx1 h LEU 149 N 0.57 0.92 0.15 2.57 4.07 -0.99 -1.70 115.31 120.91 1xx1 h LEU 149 Ca 0.15 -0.22 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 1xx1 h LEU 149 Cb 0.16 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.66 1xx1 h LEU 149 CO -0.02 0.90 -0.07 0.11 -1.08 0.00 0.00 178.44 178.28 1xx1 h LYS 150 N 0.90 -0.20 -0.48 1.13 1.57 -0.82 0.35 116.57 119.04 1xx1 h LYS 150 Ca 0.20 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.08 1xx1 h LYS 150 Cb 0.32 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1xx1 h LYS 150 CO -0.00 0.09 0.32 -0.22 -0.57 0.00 0.00 179.45 179.07 1xx1 h LYS 151 N -0.48 0.27 -0.04 3.15 3.64 -0.75 0.10 116.57 122.46 1xx1 h LYS 151 Ca -0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1xx1 h LYS 151 Cb 0.38 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1xx1 h LYS 151 CO 0.03 0.18 0.00 0.39 -2.27 0.00 0.00 179.45 177.78 1xx1 n GLU 152 N -4.46 1.67 -1.59 1.90 -0.58 -0.65 -4.91 120.64 112.01 1xx1 n GLU 152 Ca 0.07 -0.97 0.00 0.00 -0.42 0.00 0.00 57.16 55.84 1xx1 n GLU 152 Cb 0.34 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 1xx1 n GLU 152 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xx1 n GLY 153 N 1.16 0.38 1.83 0.62 0.00 0.02 -4.96 105.19 104.24 1xx1 n GLY 153 Ca 0.19 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 1xx1 n GLY 153 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xx1 n HIS 154 N -3.59 1.40 -0.07 1.61 8.25 0.12 -4.83 115.22 118.11 1xx1 n HIS 154 Ca 0.00 -1.80 0.19 0.00 -0.26 0.00 0.00 57.72 55.85 1xx1 n HIS 154 Cb 0.30 -0.27 0.63 0.00 1.12 0.00 0.00 29.99 31.77 1xx1 n HIS 154 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1xx1 h GLU 155 N 1.86 0.14 0.00 -0.41 4.81 -1.78 -1.58 114.58 117.61 1xx1 h GLU 155 Ca 0.08 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1xx1 h GLU 155 Cb 1.40 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1xx1 h GLU 155 CO 0.36 0.09 0.00 0.38 -0.73 0.00 0.00 179.01 179.11 1xx1 h ASP 156 N 0.14 0.00 0.34 1.04 2.03 -1.91 -1.54 116.42 116.53 1xx1 h ASP 156 Ca 0.30 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.59 1xx1 h ASP 156 Cb 1.00 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.50 1xx1 h ASP 156 CO -0.04 0.00 -0.06 -0.07 -1.03 0.00 0.00 179.24 178.04 1xx1 h LEU 157 N 0.00 0.00 -2.74 0.15 3.38 -1.68 -2.23 115.31 112.18 1xx1 h LEU 157 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xx1 h LEU 157 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1xx1 h LEU 157 CO 0.00 0.06 0.01 -0.07 0.09 0.00 0.00 178.44 178.53 1xx1 h LEU 158 N 0.00 0.00 -2.60 1.67 3.38 -1.45 0.79 115.31 117.10 1xx1 h LEU 158 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xx1 h LEU 158 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1xx1 h LEU 158 CO 0.01 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.21 1xx1 h GLU 159 N 0.00 0.00 -0.16 1.13 5.08 -1.60 -2.38 114.58 116.65 1xx1 h GLU 159 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xx1 h GLU 159 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1xx1 h GLU 159 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 1xx1 n LYS 160 N -3.65 2.34 -5.08 2.33 4.76 0.27 -4.94 118.16 114.18 1xx1 n LYS 160 Ca -0.03 -2.04 -0.32 0.00 -2.87 0.00 0.00 58.31 53.05 1xx1 n LYS 160 Cb 0.08 -1.47 -0.16 0.00 -1.84 0.00 0.00 35.03 31.64 1xx1 n LYS 160 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1xx1 s VAL 161 N -1.77 2.41 0.39 -0.18 1.01 -0.90 0.04 120.40 121.41 1xx1 s VAL 161 Ca 0.31 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.42 1xx1 s VAL 161 Cb 0.21 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1xx1 s VAL 161 CO 0.30 0.55 0.09 -0.83 0.00 0.00 0.00 175.10 175.21 1xx1 s GLY 162 N 0.14 2.46 -0.06 4.51 0.00 0.82 -4.85 107.32 110.35 1xx1 s GLY 162 Ca -0.11 -1.44 -0.05 0.00 0.00 0.00 0.00 44.72 43.12 1xx1 s GLY 162 CO 0.06 -1.87 0.14 -0.19 0.00 0.00 0.00 173.10 171.25 1xx1 s TYR 163 N -3.20 -0.16 -0.26 1.90 2.02 0.67 -0.43 117.35 117.89 1xx1 s TYR 163 Ca 0.26 0.40 -0.04 0.00 -0.37 0.00 0.00 57.07 57.33 1xx1 s TYR 163 Cb 0.05 0.03 0.09 0.00 -0.40 0.00 0.00 41.96 41.73 1xx1 s TYR 163 CO 0.14 -0.09 0.12 0.34 -1.57 0.00 0.00 175.55 174.48 1xx1 s ASP 164 N 0.27 3.30 -0.16 2.29 -1.08 0.46 -0.88 116.67 120.86 1xx1 s ASP 164 Ca -0.02 -1.15 -0.08 0.00 -0.52 0.00 0.00 52.55 50.78 1xx1 s ASP 164 Cb -0.03 -0.35 -0.04 0.00 -1.46 0.00 0.00 42.92 41.04 1xx1 s ASP 164 CO -0.01 -0.42 0.12 -0.36 0.52 0.00 0.00 175.17 175.02 1xx1 s PHE 165 N 2.09 3.44 0.25 -5.34 0.08 -1.26 0.39 117.98 117.63 1xx1 s PHE 165 Ca 0.07 0.36 -0.10 0.00 0.12 0.00 0.00 56.93 57.38 1xx1 s PHE 165 Cb -0.16 -2.05 -0.01 0.00 -0.57 0.00 0.00 43.02 40.23 1xx1 s PHE 165 CO -0.30 0.44 0.43 -1.54 -0.10 0.00 0.00 175.22 174.14 1xx1 s SER 166 N -0.21 0.04 0.59 1.36 1.04 -0.44 -4.87 113.70 111.20 1xx1 s SER 166 Ca 0.10 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1xx1 s SER 166 Cb -0.12 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1xx1 s SER 166 CO 0.01 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.72 1xx1 n GLY 167 N -0.38 -1.29 3.78 7.32 0.00 -1.26 -1.09 105.19 112.26 1xx1 n GLY 167 Ca -0.01 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 1xx1 n GLY 167 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xx1 s PRO 168 N 0.00 1.61 0.40 1.61 0.04 -1.22 -0.87 135.00 136.58 1xx1 s PRO 168 Ca 0.00 0.57 0.16 0.00 0.04 0.00 0.00 61.00 61.76 1xx1 s PRO 168 Cb 0.00 -1.87 0.84 0.00 0.04 0.00 0.00 34.50 33.50 1xx1 s PRO 168 CO 0.00 -1.93 1.85 1.88 0.04 0.00 0.00 177.00 178.84 1xx1 h TYR 169 N -1.31 0.00 -3.51 0.56 -1.99 -1.83 -3.35 116.97 105.54 1xx1 h TYR 169 Ca -0.49 0.00 -0.67 0.00 2.00 0.00 0.00 58.73 59.58 1xx1 h TYR 169 Cb 1.29 0.00 -0.15 0.00 2.00 0.00 0.00 36.73 39.87 1xx1 h TYR 169 CO 0.40 0.33 -0.69 -0.51 -0.00 0.00 0.00 178.16 177.69 1xx1 s LEU 170 N -7.89 3.26 0.34 3.88 1.43 -1.26 -2.54 118.68 115.90 1xx1 s LEU 170 Ca -0.02 -0.17 0.27 0.00 -1.03 0.00 0.00 54.13 53.17 1xx1 s LEU 170 Cb 0.14 -1.93 1.02 0.00 0.03 0.00 0.00 46.19 45.44 1xx1 s LEU 170 CO 0.70 0.24 1.79 1.55 0.23 0.00 0.00 176.35 180.85 1xx1 h PRO 171 N 4.10 0.00 -3.02 1.29 0.13 -2.04 -3.47 132.00 128.99 1xx1 h PRO 171 Ca -0.48 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 1xx1 h PRO 171 Cb 1.17 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.11 1xx1 h PRO 171 CO 0.55 0.00 -0.24 0.45 -0.23 0.00 0.00 178.00 178.54 1xx1 s SER 172 N -4.78 -0.21 0.43 1.44 0.15 -1.05 -5.15 113.70 104.53 1xx1 s SER 172 Ca 0.05 0.07 -0.26 0.00 0.70 0.00 0.00 55.95 56.50 1xx1 s SER 172 Cb 0.09 0.34 -0.08 0.00 -1.71 0.00 0.00 66.02 64.65 1xx1 s SER 172 CO 0.48 -0.50 1.37 -0.76 1.20 0.00 0.00 173.24 175.03 1xx1 s LEU 173 N -1.48 4.16 0.66 3.45 1.43 -1.14 -4.68 118.68 121.08 1xx1 s LEU 173 Ca -0.12 2.80 -0.15 0.00 -1.03 0.00 0.00 54.13 55.64 1xx1 s LEU 173 Cb -0.04 -3.92 0.00 0.00 0.03 0.00 0.00 46.19 42.27 1xx1 s LEU 173 CO 0.03 -1.02 1.11 -2.16 0.23 0.00 0.00 176.35 174.53 1xx1 s PRO 174 N -2.35 2.79 0.72 1.29 0.04 -1.26 -5.01 135.00 131.22 1xx1 s PRO 174 Ca 0.59 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 62.88 1xx1 s PRO 174 Cb -0.41 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.20 1xx1 s PRO 174 CO 0.53 -1.26 1.07 0.95 0.04 0.00 0.00 177.00 178.33 1xx1 s THR 175 N -2.39 3.77 0.25 1.26 -4.23 -1.26 -4.85 115.64 108.18 1xx1 s THR 175 Ca 0.66 0.57 -0.03 0.00 -1.18 0.00 0.00 61.69 61.72 1xx1 s THR 175 Cb -0.20 -3.32 0.23 0.00 1.34 0.00 0.00 72.50 70.55 1xx1 s THR 175 CO 0.42 -0.75 1.74 -0.07 -0.54 0.00 0.00 174.62 175.43 1xx1 h LEU 176 N -0.82 0.38 -0.64 4.79 3.38 -1.99 -0.54 115.31 119.87 1xx1 h LEU 176 Ca -0.45 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 1xx1 h LEU 176 Cb 1.23 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 1xx1 h LEU 176 CO 0.58 0.15 0.40 -0.78 0.09 0.00 0.00 178.44 178.87 1xx1 h ASP 177 N 0.52 0.77 -0.64 -0.43 3.58 -1.99 0.12 116.42 118.35 1xx1 h ASP 177 Ca 0.43 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.79 1xx1 h ASP 177 Cb 0.64 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 1xx1 h ASP 177 CO -0.38 0.59 0.25 0.00 -2.88 0.00 0.00 179.24 176.82 1xx1 h ALA 178 N 1.21 1.17 -0.44 -0.78 0.00 -1.80 -0.59 119.26 118.03 1xx1 h ALA 178 Ca 0.23 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1xx1 h ALA 178 Cb -0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1xx1 h ALA 178 CO -0.04 0.59 0.12 1.15 0.00 0.00 0.00 179.25 181.06 1xx1 h THR 179 N 0.97 1.23 -0.43 0.00 2.02 -0.39 -1.02 112.91 115.29 1xx1 h THR 179 Ca 0.22 -0.77 0.03 0.00 0.77 0.00 0.00 66.41 66.66 1xx1 h THR 179 Cb 0.22 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1xx1 h THR 179 CO -0.02 0.27 0.23 -0.74 0.37 0.00 0.00 175.52 175.64 1xx1 h HIS 180 N 0.57 0.43 -0.81 3.16 6.17 -0.27 -1.41 115.15 122.99 1xx1 h HIS 180 Ca 0.14 0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.27 1xx1 h HIS 180 Cb 0.29 -0.13 -0.05 0.00 2.52 0.00 0.00 27.41 30.05 1xx1 h HIS 180 CO 0.02 0.23 0.53 0.93 0.71 0.00 0.00 177.93 180.35 1xx1 h GLU 181 N 0.46 0.97 -0.72 5.26 4.39 -0.82 -0.67 114.58 123.44 1xx1 h GLU 181 Ca 0.18 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 1xx1 h GLU 181 Cb 0.06 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 1xx1 h GLU 181 CO -0.11 0.64 0.33 0.00 -1.16 0.00 0.00 179.01 178.71 1xx1 h ALA 182 N 1.53 0.93 -0.61 3.43 0.00 -0.30 0.27 119.26 124.52 1xx1 h ALA 182 Ca 0.32 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1xx1 h ALA 182 Cb 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1xx1 h ALA 182 CO -0.09 0.52 0.40 1.88 0.00 0.00 0.00 179.25 181.95 1xx1 h TYR 183 N 1.02 0.75 -0.67 0.00 0.05 -0.40 -1.55 116.97 116.17 1xx1 h TYR 183 Ca 0.25 0.02 0.07 0.00 0.05 0.00 0.00 58.73 59.11 1xx1 h TYR 183 Cb 0.15 -0.25 -0.06 0.00 1.01 0.00 0.00 36.73 37.58 1xx1 h TYR 183 CO 0.01 0.46 0.36 0.87 -1.05 0.00 0.00 178.16 178.81 1xx1 h LYS 184 N 0.80 0.63 -0.10 4.88 1.57 -0.31 0.93 116.57 124.97 1xx1 h LYS 184 Ca 0.23 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1xx1 h LYS 184 Cb -0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1xx1 h LYS 184 CO -0.06 0.41 -0.03 0.87 -0.57 0.00 0.00 179.45 180.07 1xx1 h LYS 185 N 0.65 0.14 0.00 3.15 1.57 -0.37 -1.22 116.57 120.49 1xx1 h LYS 185 Ca 0.31 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1xx1 h LYS 185 Cb 0.24 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1xx1 h LYS 185 CO -0.21 0.19 -0.17 0.00 -0.57 0.00 0.00 179.45 178.70 1xx1 n ALA 186 N -2.51 2.74 -1.41 3.86 0.00 -0.38 -4.91 120.51 117.90 1xx1 n ALA 186 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1xx1 n ALA 186 Cb 0.17 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1xx1 n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xx1 n GLY 187 N 1.50 0.38 3.59 0.00 0.00 -0.46 -4.39 105.19 105.81 1xx1 n GLY 187 Ca 0.06 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 1xx1 n GLY 187 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xx1 s VAL 188 N -2.00 5.21 -0.11 1.61 1.01 0.18 -4.92 120.40 121.39 1xx1 s VAL 188 Ca 0.00 0.35 0.16 0.00 0.00 0.00 0.00 61.98 62.50 1xx1 s VAL 188 Cb 0.00 -3.67 0.25 0.00 0.00 0.00 0.00 36.38 32.96 1xx1 s VAL 188 CO 0.00 0.14 1.13 -0.90 0.00 0.00 0.00 175.10 175.47 1xx1 n ASP 189 N 5.26 2.04 0.00 3.32 5.75 -1.26 -3.99 116.55 127.66 1xx1 n ASP 189 Ca -0.10 -2.93 0.00 0.00 -0.01 0.00 0.00 54.79 51.75 1xx1 n ASP 189 Cb 0.51 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1xx1 n ASP 189 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xx1 n GLY 190 N -1.24 -0.77 2.42 6.12 0.00 -1.26 -5.02 105.19 105.45 1xx1 n GLY 190 Ca 0.14 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 1xx1 n GLY 190 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xx1 n HIS 191 N -0.17 -1.32 -4.16 1.61 8.25 -1.26 -4.81 115.22 113.36 1xx1 n HIS 191 Ca 0.00 0.50 -0.34 0.00 -0.26 0.00 0.00 57.72 57.62 1xx1 n HIS 191 Cb 0.00 -3.27 -0.14 0.00 1.12 0.00 0.00 29.99 27.70 1xx1 n HIS 191 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1xx1 s ILE 192 N -3.17 3.47 0.03 1.59 1.01 -1.26 -0.23 121.20 122.62 1xx1 s ILE 192 Ca 0.17 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.41 1xx1 s ILE 192 Cb -0.08 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 1xx1 s ILE 192 CO 0.37 0.45 -0.19 0.26 0.00 0.00 0.00 174.94 175.83 1xx1 s TRP 193 N 1.05 2.53 -0.06 3.97 0.52 -0.06 0.58 118.94 127.47 1xx1 s TRP 193 Ca 0.01 -0.27 0.06 0.00 0.02 0.00 0.00 56.10 55.91 1xx1 s TRP 193 Cb -0.15 -1.48 -0.01 0.00 -1.15 0.00 0.00 33.47 30.69 1xx1 s TRP 193 CO -0.00 0.21 -0.23 -1.17 0.02 0.00 0.00 176.95 175.78 1xx1 s LEU 194 N -1.26 2.03 0.04 2.99 0.20 0.79 -4.25 118.68 119.21 1xx1 s LEU 194 Ca 0.14 -0.47 0.07 0.00 0.69 0.00 0.00 54.13 54.55 1xx1 s LEU 194 Cb -0.10 -1.27 -0.03 0.00 -0.43 0.00 0.00 46.19 44.35 1xx1 s LEU 194 CO 0.04 0.22 -0.17 -0.94 -0.29 0.00 0.00 176.35 175.20 1xx1 s SER 195 N -0.08 3.86 0.08 3.68 1.04 -1.26 -0.50 113.70 120.51 1xx1 s SER 195 Ca -0.05 -0.41 0.02 0.00 0.48 0.00 0.00 55.95 55.99 1xx1 s SER 195 Cb -0.13 -0.64 -0.04 0.00 0.10 0.00 0.00 66.02 65.31 1xx1 s SER 195 CO 0.04 0.25 -0.07 -0.62 0.98 0.00 0.00 173.24 173.82 1xx1 s ASP 196 N -1.47 1.02 0.00 7.02 2.15 -0.38 -4.92 116.67 120.09 1xx1 s ASP 196 Ca 0.15 -0.88 0.00 0.00 0.43 0.00 0.00 52.55 52.25 1xx1 s ASP 196 Cb -0.11 0.08 0.00 0.00 -0.30 0.00 0.00 42.92 42.60 1xx1 s ASP 196 CO 0.06 -0.40 0.00 0.61 -0.17 0.00 0.00 175.17 175.27 1xx1 n GLY 197 N 0.39 0.80 0.22 2.66 0.00 -1.26 -0.72 105.19 107.28 1xx1 n GLY 197 Ca -0.15 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.18 1xx1 n GLY 197 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xx1 h LEU 198 N 0.00 -0.41 -9.71 0.99 6.46 -1.91 -3.42 115.31 107.31 1xx1 h LEU 198 Ca 0.00 -0.14 -0.60 0.00 -0.12 0.00 0.00 57.88 57.02 1xx1 h LEU 198 Cb 0.14 0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 40.10 1xx1 h LEU 198 CO 0.00 -0.06 -0.58 0.42 -0.62 0.00 0.00 178.44 177.59 1xx1 s THR 199 N -4.80 4.51 -0.42 1.05 -4.23 -1.26 -5.04 115.64 105.45 1xx1 s THR 199 Ca -0.14 -0.94 0.10 0.00 -1.18 0.00 0.00 61.69 59.53 1xx1 s THR 199 Cb 0.02 -3.24 0.40 0.00 1.34 0.00 0.00 72.50 71.03 1xx1 s THR 199 CO 0.54 -0.00 0.97 0.59 -0.54 0.00 0.00 174.62 176.18 1xx1 n ASN 200 N 0.03 3.01 0.10 3.99 5.03 -1.26 -4.90 115.26 121.24 1xx1 n ASN 200 Ca -0.08 -3.29 0.13 0.00 0.87 0.00 0.00 54.58 52.21 1xx1 n ASN 200 Cb 0.53 -0.53 0.45 0.00 -1.02 0.00 0.00 39.78 39.21 1xx1 n ASN 200 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 1xx1 n PHE 201 N -0.18 0.76 -3.08 3.10 -1.74 -1.26 -4.11 117.46 110.95 1xx1 n PHE 201 Ca 0.26 0.24 -0.16 0.00 -0.56 0.00 0.00 57.45 57.23 1xx1 n PHE 201 Cb 0.66 -0.89 -0.04 0.00 1.52 0.00 0.00 39.48 40.72 1xx1 n PHE 201 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1xx1 n SER 202 N -2.14 -1.77 -0.31 5.98 2.88 -1.26 -5.04 113.62 111.96 1xx1 n SER 202 Ca 0.05 -2.67 0.14 0.00 -1.33 0.00 0.00 58.87 55.05 1xx1 n SER 202 Cb 0.35 0.51 0.32 0.00 -0.75 0.00 0.00 64.21 64.64 1xx1 n SER 202 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1xx1 h PRO 203 N 5.14 0.44 0.00 -1.46 0.11 -1.97 1.12 132.00 135.38 1xx1 h PRO 203 Ca 0.14 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.04 1xx1 h PRO 203 Cb 0.99 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 1xx1 h PRO 203 CO 0.23 0.29 -0.88 -0.07 -0.21 0.00 0.00 178.00 177.37 1xx1 h LEU 204 N 0.46 0.00 -0.41 2.35 3.38 -1.96 -0.34 115.31 118.78 1xx1 h LEU 204 Ca 0.57 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.36 1xx1 h LEU 204 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1xx1 h LEU 204 CO -0.50 0.88 -0.66 1.23 0.09 0.00 0.00 178.44 179.48 1xx1 h GLY 205 N 2.92 0.59 1.46 0.83 0.00 -1.21 -2.35 103.07 105.31 1xx1 h GLY 205 Ca -0.01 -0.76 -0.17 0.00 0.00 0.00 0.00 47.33 46.39 1xx1 h GLY 205 CO 0.11 0.68 -0.60 -0.55 0.00 0.00 0.00 176.54 176.18 1xx1 h ASP 206 N 0.38 0.63 -0.17 0.19 3.32 0.12 0.80 116.42 121.70 1xx1 h ASP 206 Ca -0.02 -0.36 0.04 0.00 0.02 0.00 0.00 57.03 56.72 1xx1 h ASP 206 Cb 1.23 -0.18 -0.07 0.00 0.22 0.00 0.00 39.33 40.53 1xx1 h ASP 206 CO 0.12 1.08 -0.46 -0.03 -1.72 0.00 0.00 179.24 178.24 1xx1 h MET 207 N 0.42 -0.48 -0.59 3.56 1.85 -1.07 -1.57 114.93 117.04 1xx1 h MET 207 Ca -0.00 0.03 -0.04 0.00 -0.61 0.00 0.00 59.70 59.08 1xx1 h MET 207 Cb 1.16 0.11 -0.03 0.00 0.43 0.00 0.00 31.60 33.27 1xx1 h MET 207 CO 0.11 -0.32 0.20 0.00 -0.40 0.00 0.00 176.91 176.50 1xx1 h ALA 208 N 0.04 0.77 -0.63 0.39 0.00 -1.16 -2.49 119.26 116.18 1xx1 h ALA 208 Ca 0.07 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1xx1 h ALA 208 Cb 0.64 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1xx1 h ALA 208 CO -0.43 0.42 0.35 -0.09 0.00 0.00 0.00 179.25 179.51 1xx1 h ARG 209 N 0.83 0.65 -0.18 0.00 2.43 -0.69 0.29 114.38 117.70 1xx1 h ARG 209 Ca 0.19 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1xx1 h ARG 209 Cb 0.27 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1xx1 h ARG 209 CO -0.01 0.43 -0.19 1.25 -1.51 0.00 0.00 179.97 179.94 1xx1 h LEU 210 N 0.67 0.48 -1.05 3.80 5.85 -1.13 -0.80 115.31 123.14 1xx1 h LEU 210 Ca 0.28 -0.49 0.07 0.00 0.84 0.00 0.00 57.88 58.58 1xx1 h LEU 210 Cb 0.14 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 1xx1 h LEU 210 CO -0.16 0.87 0.63 0.11 -0.34 0.00 0.00 178.44 179.55 1xx1 h LYS 211 N 0.10 1.09 -0.66 1.25 1.79 -1.18 0.23 116.57 119.20 1xx1 h LYS 211 Ca 0.03 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1xx1 h LYS 211 Cb 0.74 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 31.11 1xx1 h LYS 211 CO 0.05 0.72 0.42 1.49 -1.08 0.00 0.00 179.45 181.05 1xx1 h GLU 212 N 1.12 0.87 -0.20 3.15 4.81 -0.15 -0.46 114.58 123.72 1xx1 h GLU 212 Ca 0.43 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 1xx1 h GLU 212 Cb 0.21 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1xx1 h GLU 212 CO -0.17 0.59 -0.04 0.00 -0.73 0.00 0.00 179.01 178.66 1xx1 h ALA 213 N 1.23 0.28 -0.07 2.92 0.00 0.01 0.26 119.26 123.89 1xx1 h ALA 213 Ca 0.24 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xx1 h ALA 213 Cb -0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1xx1 h ALA 213 CO -0.05 0.05 0.04 0.82 0.00 0.00 0.00 179.25 180.11 1xx1 h ILE 214 N 0.12 1.04 -0.22 0.00 2.04 -0.84 0.39 117.51 120.04 1xx1 h ILE 214 Ca 0.05 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1xx1 h ILE 214 Cb 0.49 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1xx1 h ILE 214 CO 0.02 0.04 0.02 0.50 0.00 0.00 0.00 178.15 178.73 1xx1 h LYS 215 N 0.06 0.09 -0.30 2.37 3.64 -0.96 0.31 116.57 121.78 1xx1 h LYS 215 Ca 0.02 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1xx1 h LYS 215 Cb 0.03 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 1xx1 h LYS 215 CO -0.00 0.06 0.07 1.03 -2.27 0.00 0.00 179.45 178.33 1xx1 h SER 216 N 0.10 0.03 -0.74 4.20 0.87 0.05 0.21 113.55 118.26 1xx1 h SER 216 Ca 0.10 0.04 0.10 0.00 -1.23 0.00 0.00 61.79 60.81 1xx1 h SER 216 Cb 0.12 0.06 -0.08 0.00 -0.44 0.00 0.00 62.40 62.06 1xx1 h SER 216 CO -0.16 0.05 0.37 -0.09 -0.53 0.00 0.00 176.83 176.48 1xx1 h ARG 217 N 0.18 0.59 -0.32 2.24 2.43 0.36 -1.78 114.38 118.09 1xx1 h ARG 217 Ca 0.14 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1xx1 h ARG 217 Cb 0.14 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1xx1 h ARG 217 CO -0.17 0.39 0.00 -0.25 -1.51 0.00 0.00 179.97 178.43 1xx1 n ASP 218 N -4.86 1.87 -4.89 -3.80 8.00 0.04 -4.72 116.55 108.19 1xx1 n ASP 218 Ca 0.12 -1.93 -0.29 0.00 0.71 0.00 0.00 54.79 53.40 1xx1 n ASP 218 Cb 0.30 -0.21 -0.01 0.00 -0.02 0.00 0.00 41.12 41.18 1xx1 n ASP 218 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1xx1 s SER 219 N -1.13 6.32 0.19 -2.24 1.04 -0.00 -4.99 113.70 112.88 1xx1 s SER 219 Ca 0.26 1.04 -0.12 0.00 0.48 0.00 0.00 55.95 57.61 1xx1 s SER 219 Cb 0.14 -2.30 0.17 0.00 0.10 0.00 0.00 66.02 64.14 1xx1 s SER 219 CO 0.19 -0.57 1.76 0.00 0.98 0.00 0.00 173.24 175.60 1xx1 h ALA 220 N 0.40 0.65 -0.43 5.32 0.00 -1.89 -2.26 119.26 121.05 1xx1 h ALA 220 Ca -0.47 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1xx1 h ALA 220 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xx1 h ALA 220 CO 0.62 -0.16 0.00 0.09 0.00 0.00 0.00 179.25 179.80 1xx1 n ASN 221 N -4.95 3.67 -4.75 0.00 4.13 -1.26 -5.00 115.26 107.10 1xx1 n ASN 221 Ca 0.05 -2.40 -0.38 0.00 1.68 0.00 0.00 54.58 53.53 1xx1 n ASN 221 Cb 0.18 -0.52 0.04 0.00 -1.54 0.00 0.00 39.78 37.94 1xx1 n ASN 221 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1xx1 s GLY 222 N -0.70 2.88 -0.02 7.41 0.00 -0.85 -4.96 107.32 111.07 1xx1 s GLY 222 Ca 0.36 1.29 0.05 0.00 0.00 0.00 0.00 44.72 46.42 1xx1 s GLY 222 CO 0.15 1.79 0.07 1.97 0.00 0.00 0.00 173.10 177.08 1xx1 n PHE 223 N -1.13 0.00 -2.29 1.90 1.16 -1.26 -4.99 117.46 110.85 1xx1 n PHE 223 Ca 0.11 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.27 1xx1 n PHE 223 Cb 0.46 -0.17 -0.03 0.00 -1.61 0.00 0.00 39.48 38.13 1xx1 n PHE 223 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1xx1 s ILE 224 N -2.24 3.80 -0.18 1.97 1.01 -1.26 -4.56 121.20 119.75 1xx1 s ILE 224 Ca -0.02 1.21 -0.17 0.00 0.00 0.00 0.00 60.65 61.67 1xx1 s ILE 224 Cb 0.02 -3.78 -0.22 0.00 0.01 0.00 0.00 42.46 38.50 1xx1 s ILE 224 CO 0.20 0.02 0.29 0.78 0.00 0.00 0.00 174.94 176.23 1xx1 h ASN 225 N 7.49 0.14 -4.49 3.58 -0.26 -0.19 -3.43 115.58 118.42 1xx1 h ASN 225 Ca -0.38 -0.66 -0.39 0.00 -0.56 0.00 0.00 56.30 54.30 1xx1 h ASN 225 Cb 1.18 -0.05 -0.22 0.00 -1.06 0.00 0.00 38.32 38.18 1xx1 h ASN 225 CO 0.88 1.60 -0.77 -0.54 -1.06 0.00 0.00 177.43 177.54 1xx1 s LYS 226 N -2.42 0.78 -0.11 0.81 -0.14 -0.85 -4.15 119.74 113.66 1xx1 s LYS 226 Ca -0.26 -0.88 0.04 0.00 -1.36 0.00 0.00 55.97 53.51 1xx1 s LYS 226 Cb 0.06 -0.75 0.00 0.00 -1.68 0.00 0.00 37.83 35.46 1xx1 s LYS 226 CO 0.65 0.17 -0.24 0.42 -0.76 0.00 0.00 175.35 175.60 1xx1 s ILE 227 N -1.20 2.06 0.08 2.17 1.01 -1.26 -0.15 121.20 123.91 1xx1 s ILE 227 Ca -0.03 -1.01 0.09 0.00 0.00 0.00 0.00 60.65 59.71 1xx1 s ILE 227 Cb -0.09 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 1xx1 s ILE 227 CO 0.02 0.56 -0.25 -0.72 0.00 0.00 0.00 174.94 174.55 1xx1 s TYR 228 N 0.43 2.14 -0.08 3.97 -0.00 0.34 -0.18 117.35 123.97 1xx1 s TYR 228 Ca -0.17 -0.40 0.02 0.00 -0.00 0.00 0.00 57.07 56.53 1xx1 s TYR 228 Cb -0.18 -1.22 -0.02 0.00 -0.00 0.00 0.00 41.96 40.54 1xx1 s TYR 228 CO 0.07 0.21 -0.15 -0.47 -0.00 0.00 0.00 175.55 175.21 1xx1 s TYR 229 N -0.95 2.72 0.53 -3.49 5.04 -0.60 -1.25 117.35 119.36 1xx1 s TYR 229 Ca 0.11 -0.41 0.06 0.00 -2.44 0.00 0.00 57.07 54.39 1xx1 s TYR 229 Cb -0.10 -1.71 0.04 0.00 0.35 0.00 0.00 41.96 40.54 1xx1 s TYR 229 CO 0.04 -0.01 0.44 1.67 -1.34 0.00 0.00 175.55 176.35 1xx1 s TRP 230 N -0.25 1.71 0.00 4.97 -2.14 0.10 -0.92 118.94 122.42 1xx1 s TRP 230 Ca 0.01 -0.79 0.00 0.00 2.66 0.00 0.00 56.10 57.98 1xx1 s TRP 230 Cb -0.13 -1.97 0.00 0.00 -3.10 0.00 0.00 33.47 28.27 1xx1 s TRP 230 CO 0.03 -0.51 0.00 0.43 -2.66 0.00 0.00 176.95 174.24 1xx1 n SER 231 N -1.79 0.00 -4.25 -2.66 7.64 -1.20 -4.79 113.62 106.57 1xx1 n SER 231 Ca 0.01 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.52 1xx1 n SER 231 Cb 0.64 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.71 1xx1 n SER 231 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1xx1 s VAL 232 N 0.00 3.59 0.00 0.44 1.01 -0.00 -4.97 120.40 120.46 1xx1 s VAL 232 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1xx1 s VAL 232 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1xx1 s VAL 232 CO 0.00 -0.14 0.23 0.47 0.00 0.00 0.00 175.10 175.66 1xx1 n ASP 233 N 4.77 0.46 -4.47 3.32 8.00 -1.26 -4.39 116.55 122.97 1xx1 n ASP 233 Ca -0.13 -0.73 -0.24 0.00 0.71 0.00 0.00 54.79 54.40 1xx1 n ASP 233 Cb 0.45 0.42 -0.10 0.00 -0.02 0.00 0.00 41.12 41.86 1xx1 n ASP 233 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1xx1 s LYS 234 N -0.42 1.67 0.13 -1.24 1.02 -1.26 -4.85 119.74 114.79 1xx1 s LYS 234 Ca 0.00 -1.80 -0.20 0.00 0.02 0.00 0.00 55.97 53.99 1xx1 s LYS 234 Cb 0.00 -1.66 -0.04 0.00 -0.52 0.00 0.00 37.83 35.62 1xx1 s LYS 234 CO 0.00 0.25 1.72 0.28 -0.92 0.00 0.00 175.35 176.68 1xx1 h VAL 235 N 2.24 0.85 -0.22 3.17 2.07 -1.96 -0.42 116.25 121.97 1xx1 h VAL 235 Ca -0.40 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.16 1xx1 h VAL 235 Cb 1.25 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 1xx1 h VAL 235 CO 0.63 0.01 -0.21 0.77 0.02 0.00 0.00 177.57 178.79 1xx1 h SER 236 N 0.04 -0.67 0.68 0.57 4.64 -1.99 0.30 113.55 117.12 1xx1 h SER 236 Ca 0.09 0.13 -0.15 0.00 -0.47 0.00 0.00 61.79 61.38 1xx1 h SER 236 Cb 0.12 0.32 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 1xx1 h SER 236 CO -0.16 -0.25 -0.72 0.71 -0.87 0.00 0.00 176.83 175.53 1xx1 h THR 237 N -0.22 1.50 -0.21 2.95 1.35 -1.93 -0.49 112.91 115.87 1xx1 h THR 237 Ca 0.13 -2.44 -0.03 0.00 -0.55 0.00 0.00 66.41 63.52 1xx1 h THR 237 Cb 0.42 2.32 -0.01 0.00 -1.73 0.00 0.00 68.15 69.15 1xx1 h THR 237 CO -0.35 0.70 0.02 0.74 -0.25 0.00 0.00 175.52 176.38 1xx1 h THR 238 N 0.02 1.23 -0.59 6.82 2.02 -0.70 0.10 112.91 121.81 1xx1 h THR 238 Ca -0.01 -0.78 0.02 0.00 0.77 0.00 0.00 66.41 66.41 1xx1 h THR 238 Cb 1.28 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 69.00 1xx1 h THR 238 CO 0.10 0.24 0.37 0.11 0.37 0.00 0.00 175.52 176.71 1xx1 h LYS 239 N 0.14 0.72 -0.35 6.66 1.57 -0.76 -0.51 116.57 124.04 1xx1 h LYS 239 Ca 0.06 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1xx1 h LYS 239 Cb 0.34 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1xx1 h LYS 239 CO 0.01 0.48 0.22 0.00 -0.57 0.00 0.00 179.45 179.58 1xx1 h ALA 240 N 1.25 0.45 -0.50 3.86 0.00 -0.79 0.14 119.26 123.67 1xx1 h ALA 240 Ca 0.23 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1xx1 h ALA 240 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1xx1 h ALA 240 CO -0.08 -0.06 0.19 0.00 0.00 0.00 0.00 179.25 179.29 1xx1 h ALA 241 N 1.10 0.65 -0.54 0.00 0.00 -0.43 -0.30 119.26 119.74 1xx1 h ALA 241 Ca 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1xx1 h ALA 241 Cb -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1xx1 h ALA 241 CO -0.02 0.27 0.28 -0.07 0.00 0.00 0.00 179.25 179.70 1xx1 h LEU 242 N 0.67 0.68 -1.36 0.00 3.38 -0.83 -2.80 115.31 115.05 1xx1 h LEU 242 Ca 0.17 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1xx1 h LEU 242 Cb 0.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1xx1 h LEU 242 CO -0.01 0.60 -0.23 0.44 0.09 0.00 0.00 178.44 179.33 1xx1 h ASP 243 N 0.72 0.13 1.14 -0.43 3.32 -0.30 -1.90 116.42 119.11 1xx1 h ASP 243 Ca 0.19 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1xx1 h ASP 243 Cb 0.08 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1xx1 h ASP 243 CO -0.03 0.37 0.00 -0.37 -1.72 0.00 0.00 179.24 177.49 1xx1 h VAL 244 N 0.13 0.00 0.00 -1.35 -1.51 -0.88 -3.47 116.25 109.16 1xx1 h VAL 244 Ca 0.02 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1xx1 h VAL 244 Cb 0.48 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 1xx1 h VAL 244 CO 0.03 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.98 1xx1 n GLY 245 N 0.20 1.44 3.80 5.19 0.00 -0.71 -5.02 105.19 110.09 1xx1 n GLY 245 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1xx1 n GLY 245 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xx1 s VAL 246 N -2.00 3.69 -0.38 1.61 -7.23 -1.08 -4.95 120.40 110.07 1xx1 s VAL 246 Ca 0.00 0.76 0.23 0.00 -1.81 0.00 0.00 61.98 61.16 1xx1 s VAL 246 Cb 0.00 -3.31 -0.13 0.00 0.56 0.00 0.00 36.38 33.50 1xx1 s VAL 246 CO 0.00 -0.51 0.91 0.47 -0.31 0.00 0.00 175.10 175.66 1xx1 n ASP 247 N -2.27 0.55 -3.85 4.85 8.00 0.74 -4.78 116.55 119.79 1xx1 n ASP 247 Ca 0.09 -0.02 -0.13 0.00 0.71 0.00 0.00 54.79 55.43 1xx1 n ASP 247 Cb 0.53 0.96 -0.15 0.00 -0.02 0.00 0.00 41.12 42.44 1xx1 n ASP 247 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xx1 s GLY 248 N -4.04 0.06 -0.19 0.44 0.00 -0.36 -0.60 107.32 102.64 1xx1 s GLY 248 Ca -0.00 0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.80 1xx1 s GLY 248 CO 0.82 0.19 -0.16 -0.42 0.00 0.00 0.00 173.10 173.53 1xx1 s ILE 249 N 0.31 1.91 -0.13 0.90 -1.09 0.46 -1.55 121.20 122.01 1xx1 s ILE 249 Ca -0.03 -0.99 -0.18 0.00 -2.23 0.00 0.00 60.65 57.22 1xx1 s ILE 249 Cb -0.04 -1.82 -0.04 0.00 -1.58 0.00 0.00 42.46 38.98 1xx1 s ILE 249 CO -0.01 0.37 0.46 -0.32 -1.23 0.00 0.00 174.94 174.22 1xx1 s MET 250 N 1.32 4.32 -0.05 2.79 -2.45 -0.10 -0.14 119.30 124.99 1xx1 s MET 250 Ca 0.02 0.41 -0.14 0.00 -1.25 0.00 0.00 55.69 54.73 1xx1 s MET 250 Cb -0.15 -3.44 0.03 0.00 1.25 0.00 0.00 34.83 32.52 1xx1 s MET 250 CO -0.11 0.15 0.33 -0.08 1.05 0.00 0.00 175.02 176.36 1xx1 s THR 251 N 0.67 0.04 -0.66 10.11 -1.32 0.31 -0.82 115.64 123.96 1xx1 s THR 251 Ca 0.25 -0.31 0.26 0.00 -1.21 0.00 0.00 61.69 60.67 1xx1 s THR 251 Cb -0.15 -0.58 0.28 0.00 -1.51 0.00 0.00 72.50 70.54 1xx1 s THR 251 CO 0.10 -0.17 1.76 0.59 -2.21 0.00 0.00 174.62 174.69 1xx1 n ASN 252 N 1.79 0.78 -3.45 8.08 3.02 -1.26 -0.42 115.26 123.81 1xx1 n ASN 252 Ca -0.19 0.60 -0.27 0.00 -0.03 0.00 0.00 54.58 54.70 1xx1 n ASN 252 Cb 0.56 -0.80 -0.10 0.00 -0.61 0.00 0.00 39.78 38.84 1xx1 n ASN 252 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1xx1 n TYR 253 N -2.26 -0.07 0.33 3.10 4.01 -1.26 -4.84 117.16 116.16 1xx1 n TYR 253 Ca 0.05 -3.52 0.19 0.00 -0.16 0.00 0.00 57.90 54.45 1xx1 n TYR 253 Cb 0.38 0.02 0.99 0.00 -0.31 0.00 0.00 39.34 40.42 1xx1 n TYR 253 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1xx1 h PRO 254 N 5.34 0.00 0.00 -0.72 0.11 -1.83 0.26 132.00 135.16 1xx1 h PRO 254 Ca 0.22 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 1xx1 h PRO 254 Cb 0.87 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1xx1 h PRO 254 CO 0.45 0.00 -0.14 -2.95 -0.21 0.00 0.00 178.00 175.15 1xx1 h ASN 255 N 0.00 0.00 0.27 -2.05 -1.07 -1.79 -3.04 115.58 107.89 1xx1 h ASN 255 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.36 1xx1 h ASN 255 Cb 0.38 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.63 1xx1 h ASN 255 CO -0.00 0.14 -0.13 0.58 0.07 0.00 0.00 177.43 178.09 1xx1 h VAL 256 N 0.00 0.78 -0.90 6.14 2.07 -1.23 -1.92 116.25 121.18 1xx1 h VAL 256 Ca -0.00 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.24 1xx1 h VAL 256 Cb 0.49 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 1xx1 h VAL 256 CO 0.02 0.07 0.57 0.25 0.02 0.00 0.00 177.57 178.50 1xx1 h LEU 257 N -0.53 0.90 -0.85 2.57 5.85 -1.71 0.30 115.31 121.83 1xx1 h LEU 257 Ca -0.04 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.71 1xx1 h LEU 257 Cb 0.39 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1xx1 h LEU 257 CO 0.06 0.58 0.56 0.40 -0.34 0.00 0.00 178.44 179.70 1xx1 h ILE 258 N 1.04 1.19 -0.33 4.05 1.08 -1.41 0.20 117.51 123.31 1xx1 h ILE 258 Ca 0.39 -0.38 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 1xx1 h ILE 258 Cb 0.16 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 33.86 1xx1 h ILE 258 CO -0.17 0.20 0.12 1.23 -0.69 0.00 0.00 178.15 178.85 1xx1 h GLY 259 N 1.12 0.54 1.24 5.37 0.00 -0.55 -3.05 103.07 107.75 1xx1 h GLY 259 Ca 0.32 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1xx1 h GLY 259 CO -0.09 0.29 0.30 -2.08 0.00 0.00 0.00 176.54 174.96 1xx1 h VAL 260 N 0.39 1.23 0.00 4.60 2.07 -0.06 -2.50 116.25 121.97 1xx1 h VAL 260 Ca 0.11 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1xx1 h VAL 260 Cb 0.21 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1xx1 h VAL 260 CO -0.01 0.27 0.00 0.18 0.02 0.00 0.00 177.57 178.04 1xx1 n LEU 261 N -4.32 0.04 0.00 2.57 4.77 0.63 -1.63 117.00 119.06 1xx1 n LEU 261 Ca 0.06 0.51 0.12 0.00 -0.03 0.00 0.00 56.01 56.67 1xx1 n LEU 261 Cb 0.15 -0.50 0.25 0.00 -2.33 0.00 0.00 43.42 40.99 1xx1 n LEU 261 CO 0.39 -0.23 0.46 0.29 -1.33 0.00 0.00 177.39 176.96 1xx1 n LYS 262 N -1.54 0.00 -3.14 3.23 5.02 -0.94 -3.23 118.16 117.56 1xx1 n LYS 262 Ca 0.04 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.00 1xx1 n LYS 262 Cb 0.19 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.64 1xx1 n LYS 262 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xx1 s GLU 263 N -3.00 4.04 0.22 1.97 2.02 -0.64 -4.72 118.70 118.59 1xx1 s GLU 263 Ca 0.11 0.69 -0.30 0.00 0.02 0.00 0.00 54.97 55.49 1xx1 s GLU 263 Cb 0.17 -2.53 -0.09 0.00 0.10 0.00 0.00 34.13 31.79 1xx1 s GLU 263 CO 0.70 0.21 1.32 -1.12 0.02 0.00 0.00 175.26 176.39 1xx1 s SER 264 N -2.16 6.86 0.00 -0.19 0.01 -1.26 0.38 113.70 117.34 1xx1 s SER 264 Ca 0.52 2.47 0.00 0.00 1.31 0.00 0.00 55.95 60.25 1xx1 s SER 264 Cb -0.11 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.50 1xx1 s SER 264 CO 0.18 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1xx1 n GLY 265 N 2.11 1.49 1.14 3.44 0.00 -1.26 -4.81 105.19 107.31 1xx1 n GLY 265 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1xx1 n GLY 265 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xx1 n TYR 266 N -2.00 0.00 -0.36 1.61 4.02 -0.44 -4.67 117.16 115.31 1xx1 n TYR 266 Ca 0.00 0.00 0.37 0.00 -0.01 0.00 0.00 57.90 58.26 1xx1 n TYR 266 Cb 0.00 0.08 0.75 0.00 -0.02 0.00 0.00 39.34 40.15 1xx1 n TYR 266 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 176.86 172.90 1xx1 h ASN 267 N 0.00 0.00 0.52 7.72 7.08 -0.05 -0.84 115.58 130.01 1xx1 h ASN 267 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1xx1 h ASN 267 Cb 0.84 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.08 1xx1 h ASN 267 CO 0.00 0.00 -0.82 0.47 -2.08 0.00 0.00 177.43 175.00 1xx1 n ASP 268 N -4.05 0.63 0.00 6.14 8.00 -1.26 -4.38 116.55 121.64 1xx1 n ASP 268 Ca 0.28 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1xx1 n ASP 268 Cb 1.37 0.54 0.00 0.00 -0.02 0.00 0.00 41.12 43.02 1xx1 n ASP 268 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1xx1 n LYS 269 N -1.88 1.47 -3.98 -1.24 5.02 -0.55 -4.77 118.16 112.24 1xx1 n LYS 269 Ca 0.03 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.23 1xx1 n LYS 269 Cb 0.41 -0.98 -0.11 0.00 -0.02 0.00 0.00 35.03 34.33 1xx1 n LYS 269 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1xx1 s TYR 270 N -1.94 0.27 0.07 2.13 2.02 -0.43 -1.00 117.35 118.46 1xx1 s TYR 270 Ca 0.00 -0.50 -0.11 0.00 -0.37 0.00 0.00 57.07 56.09 1xx1 s TYR 270 Cb 0.00 -0.19 0.01 0.00 -0.40 0.00 0.00 41.96 41.37 1xx1 s TYR 270 CO 0.00 -0.18 0.24 -0.98 -1.57 0.00 0.00 175.55 173.06 1xx1 s ARG 271 N -1.40 0.82 0.07 -0.62 1.70 0.17 -4.48 118.95 115.21 1xx1 s ARG 271 Ca -0.15 -0.75 -0.31 0.00 -0.47 0.00 0.00 55.73 54.05 1xx1 s ARG 271 Cb -0.10 0.34 -0.07 0.00 -0.57 0.00 0.00 34.95 34.55 1xx1 s ARG 271 CO -0.01 -0.26 1.49 -1.17 -1.08 0.00 0.00 175.30 174.27 1xx1 s LEU 272 N -2.47 4.35 0.55 -1.89 2.96 -1.26 0.78 118.68 121.70 1xx1 s LEU 272 Ca -0.00 2.34 -0.21 0.00 -0.22 0.00 0.00 54.13 56.03 1xx1 s LEU 272 Cb 0.02 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.09 1xx1 s LEU 272 CO -0.08 -0.76 1.36 0.00 -1.32 0.00 0.00 176.35 175.56 1xx1 s ALA 273 N 1.95 2.79 0.45 5.97 0.00 0.58 -4.63 121.76 128.86 1xx1 s ALA 273 Ca 0.68 1.34 0.03 0.00 0.00 0.00 0.00 51.96 54.01 1xx1 s ALA 273 Cb -0.37 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.14 1xx1 s ALA 273 CO 0.30 -1.41 0.03 0.95 0.00 0.00 0.00 175.76 175.63 1xx1 s THR 274 N -1.30 1.27 0.32 0.00 -4.23 -1.26 -4.91 115.64 105.52 1xx1 s THR 274 Ca 0.72 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 59.60 1xx1 s THR 274 Cb -0.41 -2.46 0.38 0.00 1.34 0.00 0.00 72.50 71.36 1xx1 s THR 274 CO 0.48 0.00 2.12 0.22 -0.54 0.00 0.00 174.62 176.90 1xx1 h TYR 275 N 1.61 0.00 -0.00 3.99 3.20 -1.92 0.19 116.97 124.03 1xx1 h TYR 275 Ca -0.42 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.45 1xx1 h TYR 275 Cb 1.28 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.55 1xx1 h TYR 275 CO 1.24 0.00 -0.14 -0.25 -1.64 0.00 0.00 178.16 177.37 1xx1 n ASP 276 N -2.88 0.24 -4.52 -2.11 8.00 -1.26 -4.59 116.55 109.43 1xx1 n ASP 276 Ca -0.02 -0.06 -0.43 0.00 0.71 0.00 0.00 54.79 55.00 1xx1 n ASP 276 Cb 0.12 -0.19 -0.06 0.00 -0.02 0.00 0.00 41.12 40.97 1xx1 n ASP 276 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1xx1 s ASP 277 N -2.79 6.35 -0.16 -2.24 1.01 0.05 -5.03 116.67 113.86 1xx1 s ASP 277 Ca 0.20 -0.29 -0.29 0.00 0.71 0.00 0.00 52.55 52.87 1xx1 s ASP 277 Cb 0.19 -2.34 -0.03 0.00 1.01 0.00 0.00 42.92 41.74 1xx1 s ASP 277 CO 0.54 -0.85 1.59 0.21 0.21 0.00 0.00 175.17 176.87 1xx1 s ASN 278 N 2.11 6.53 0.09 0.27 2.47 -1.26 -4.76 114.94 120.38 1xx1 s ASN 278 Ca 0.25 1.82 0.17 0.00 0.42 0.00 0.00 52.86 55.52 1xx1 s ASN 278 Cb -0.14 -2.53 0.72 0.00 -1.45 0.00 0.00 41.25 37.85 1xx1 s ASN 278 CO 0.20 -1.10 1.53 -0.81 -3.72 0.00 0.00 177.10 173.20 1xx1 n PRO 279 N 7.38 0.07 -0.14 0.43 -0.04 -1.26 -1.46 135.00 139.99 1xx1 n PRO 279 Ca 0.18 0.33 0.12 0.00 -0.04 0.00 0.00 63.50 64.08 1xx1 n PRO 279 Cb 0.44 -1.63 0.25 0.00 -0.04 0.00 0.00 33.50 32.52 1xx1 n PRO 279 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1xx1 n TRP 280 N -1.76 0.36 -3.66 0.54 5.03 -1.26 -4.57 117.44 112.11 1xx1 n TRP 280 Ca 0.03 -0.18 -0.37 0.00 3.03 0.00 0.00 57.50 60.01 1xx1 n TRP 280 Cb 0.18 0.00 -0.11 0.00 -1.03 0.00 0.00 31.31 30.35 1xx1 n TRP 280 CO 0.00 0.00 0.00 -2.00 -0.03 0.00 0.00 177.69 175.66 1xx1 s GLU 281 N -1.64 3.88 0.11 -0.99 2.12 -0.53 -4.45 118.70 117.18 1xx1 s GLU 281 Ca 0.36 -0.36 -0.31 0.00 0.36 0.00 0.00 54.97 55.02 1xx1 s GLU 281 Cb 0.21 -3.54 -0.10 0.00 0.26 0.00 0.00 34.13 30.97 1xx1 s GLU 281 CO 0.30 -0.15 1.79 0.99 -0.54 0.00 0.00 175.26 177.66 1xx1 s THR 282 N 1.61 2.68 0.15 -1.70 2.01 -1.26 -4.86 115.64 114.28 1xx1 s THR 282 Ca 0.07 0.16 -0.31 0.00 0.31 0.00 0.00 61.69 61.91 1xx1 s THR 282 Cb -0.15 -3.10 -0.10 0.00 0.01 0.00 0.00 72.50 69.16 1xx1 s THR 282 CO 0.08 -0.00 1.57 0.12 -0.69 0.00 0.00 174.62 175.69 1xx1 s PHE 283 N 2.79 3.00 -0.13 4.92 5.36 -1.26 -5.01 117.98 127.65 1xx1 s PHE 283 Ca 0.79 0.61 0.02 0.00 -0.96 0.00 0.00 56.93 57.39 1xx1 s PHE 283 Cb -0.44 -3.91 -0.00 0.00 -0.34 0.00 0.00 43.02 38.32 1xx1 s PHE 283 CO 0.35 -3.40 -0.19 0.15 -1.46 0.00 0.00 175.22 170.68 1xx1 s LYS 284 N 1.33 3.17 0.00 10.12 -0.14 -1.26 -5.03 119.74 127.93 1xx1 s LYS 284 Ca 0.70 -0.79 0.00 0.00 -1.36 0.00 0.00 55.97 54.52 1xx1 s LYS 284 Cb -0.43 -2.48 0.00 0.00 -1.68 0.00 0.00 37.83 33.24 1xx1 s LYS 284 CO 0.31 0.12 0.00 0.09 -0.76 0.00 0.00 175.35 175.12