#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxn h ASP 2 N 0.00 0.00 -4.03 4.04 3.32 -1.96 -3.40 116.42 114.40 1jxn h ASP 2 Ca 0.00 -0.52 -0.69 0.00 0.02 0.00 0.00 57.03 55.84 1jxn h ASP 2 Cb 0.00 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 39.32 1jxn h ASP 2 CO 0.00 1.19 -0.83 -1.81 -1.72 0.00 0.00 179.24 176.06 1jxn s ASP 3 N -6.43 3.57 -0.14 6.45 -0.00 -1.26 -2.66 116.67 116.19 1jxn s ASP 3 Ca -0.22 -0.53 -0.23 0.00 -0.00 0.00 0.00 52.55 51.57 1jxn s ASP 3 Cb 0.03 -0.46 0.06 0.00 -0.00 0.00 0.00 42.92 42.54 1jxn s ASP 3 CO 0.52 0.24 0.58 -0.22 -0.00 0.00 0.00 175.17 176.29 1jxn s LEU 4 N -1.54 -0.22 -0.17 1.23 0.20 0.59 -4.99 118.68 113.79 1jxn s LEU 4 Ca 0.14 0.90 -0.28 0.00 0.69 0.00 0.00 54.13 55.57 1jxn s LEU 4 Cb -0.10 2.08 0.09 0.00 -0.43 0.00 0.00 46.19 47.82 1jxn s LEU 4 CO 0.05 -0.36 0.79 -0.94 -0.29 0.00 0.00 176.35 175.60 1jxn s SER 5 N -0.37 -0.61 0.27 3.68 1.04 -1.25 0.29 113.70 116.74 1jxn s SER 5 Ca -0.05 0.92 -0.05 0.00 0.48 0.00 0.00 55.95 57.24 1jxn s SER 5 Cb -0.03 0.84 -0.01 0.00 0.10 0.00 0.00 66.02 66.91 1jxn s SER 5 CO 0.04 -0.40 0.38 0.72 0.98 0.00 0.00 173.24 174.96 1jxn s PHE 6 N -0.50 0.87 -0.28 5.02 -0.12 0.55 -4.97 117.98 118.54 1jxn s PHE 6 Ca -0.04 -1.13 -0.10 0.00 -0.05 0.00 0.00 56.93 55.61 1jxn s PHE 6 Cb -0.02 -0.14 0.12 0.00 -0.63 0.00 0.00 43.02 42.35 1jxn s PHE 6 CO 0.04 -0.94 0.62 0.21 -0.05 0.00 0.00 175.22 175.09 1jxn s LYS 7 N -3.71 0.55 -0.25 1.99 2.20 -1.26 -1.58 119.74 117.67 1jxn s LYS 7 Ca 0.30 1.37 -0.08 0.00 -0.36 0.00 0.00 55.97 57.21 1jxn s LYS 7 Cb 0.02 0.72 -0.03 0.00 -1.51 0.00 0.00 37.83 37.03 1jxn s LYS 7 CO 0.14 -0.20 0.08 -0.06 -0.36 0.00 0.00 175.35 174.95 1jxn s PHE 8 N 2.73 3.10 -0.63 4.03 0.08 -0.31 -4.96 117.98 122.02 1jxn s PHE 8 Ca -0.06 -0.39 0.24 0.00 0.12 0.00 0.00 56.93 56.85 1jxn s PHE 8 Cb -0.11 -2.25 0.34 0.00 -0.57 0.00 0.00 43.02 40.43 1jxn s PHE 8 CO -0.18 -0.35 1.32 0.87 -0.10 0.00 0.00 175.22 176.79 1jxn h LYS 9 N 8.25 0.00 0.00 0.44 1.57 -1.87 -0.85 116.57 124.11 1jxn h LYS 9 Ca -0.38 0.00 0.26 0.00 -1.87 0.00 0.00 60.65 58.66 1jxn h LYS 9 Cb 1.18 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.44 1jxn h LYS 9 CO 0.58 0.00 0.68 0.27 -0.57 0.00 0.00 179.45 180.40 1jxn n ASN 10 N -2.13 -0.83 -4.27 0.86 0.23 -1.25 -4.59 115.26 103.29 1jxn n ASN 10 Ca 0.03 -1.14 -0.27 0.00 -0.53 0.00 0.00 54.58 52.68 1jxn n ASN 10 Cb 0.44 1.28 -0.14 0.00 -2.08 0.00 0.00 39.78 39.28 1jxn n ASN 10 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1jxn s PHE 11 N -2.24 1.93 0.03 -2.53 0.40 -0.33 -4.99 117.98 110.24 1jxn s PHE 11 Ca 0.22 -0.38 -0.28 0.00 -0.60 0.00 0.00 56.93 55.89 1jxn s PHE 11 Cb -0.00 -1.15 -0.04 0.00 0.51 0.00 0.00 43.02 42.33 1jxn s PHE 11 CO -0.01 0.10 0.90 -1.12 0.70 0.00 0.00 175.22 175.79 1jxn s SER 12 N -1.18 7.32 0.53 1.36 0.01 -1.26 -4.29 113.70 116.20 1jxn s SER 12 Ca 0.08 1.59 0.25 0.00 1.31 0.00 0.00 55.95 59.18 1jxn s SER 12 Cb -0.09 -2.54 1.38 0.00 0.21 0.00 0.00 66.02 64.98 1jxn s SER 12 CO 0.02 -0.15 2.00 1.56 0.41 0.00 0.00 173.24 177.08 1jxn h GLN 13 N 6.30 0.02 -1.34 12.44 1.08 -1.88 -2.62 115.11 129.12 1jxn h GLN 13 Ca -0.42 -0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.28 1jxn h GLN 13 Cb 1.21 -0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 28.23 1jxn h GLN 13 CO 0.74 0.01 -0.92 0.09 -0.95 0.00 0.00 178.83 177.80 1jxn n ASN 14 N -4.39 3.33 -4.47 1.46 3.02 -1.26 -4.87 115.26 108.08 1jxn n ASN 14 Ca 0.10 -3.30 -0.30 0.00 -0.03 0.00 0.00 54.58 51.05 1jxn n ASN 14 Cb 0.59 -0.49 0.22 0.00 -0.61 0.00 0.00 39.78 39.49 1jxn n ASN 14 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jxn n GLY 15 N -0.29 -1.82 0.00 7.41 0.00 -0.99 -4.99 105.19 104.52 1jxn n GLY 15 Ca 0.27 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1jxn n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jxn n LYS 16 N -4.16 1.44 -0.52 1.61 4.76 -1.26 -4.83 118.16 115.21 1jxn n LYS 16 Ca 0.04 -0.06 0.08 0.00 -2.87 0.00 0.00 58.31 55.50 1jxn n LYS 16 Cb 0.55 -0.35 0.29 0.00 -1.84 0.00 0.00 35.03 33.67 1jxn n LYS 16 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1jxn n ASP 17 N -0.22 4.22 -4.28 4.39 3.85 -1.26 -4.95 116.55 118.29 1jxn n ASP 17 Ca 0.00 -2.81 -0.24 0.00 -0.71 0.00 0.00 54.79 51.03 1jxn n ASP 17 Cb 0.06 -0.54 -0.12 0.00 -1.35 0.00 0.00 41.12 39.17 1jxn n ASP 17 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1jxn s LEU 18 N -2.48 2.31 -0.15 -2.12 1.43 -1.26 -0.26 118.68 116.15 1jxn s LEU 18 Ca 0.43 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1jxn s LEU 18 Cb 0.33 -0.86 -0.01 0.00 0.03 0.00 0.00 46.19 45.67 1jxn s LEU 18 CO 0.13 0.04 -0.11 -0.44 0.23 0.00 0.00 176.35 176.20 1jxn s SER 19 N -1.96 4.11 -0.11 2.29 0.01 0.14 -4.71 113.70 113.46 1jxn s SER 19 Ca 0.07 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.03 1jxn s SER 19 Cb -0.10 -1.64 -0.01 0.00 0.21 0.00 0.00 66.02 64.48 1jxn s SER 19 CO 0.04 0.14 -0.18 -0.36 0.41 0.00 0.00 173.24 173.29 1jxn s PHE 20 N 0.53 2.68 0.23 2.43 0.40 -1.26 -0.94 117.98 122.05 1jxn s PHE 20 Ca -0.07 -0.80 0.09 0.00 -0.60 0.00 0.00 56.93 55.54 1jxn s PHE 20 Cb -0.15 -1.77 -0.05 0.00 0.51 0.00 0.00 43.02 41.56 1jxn s PHE 20 CO 0.04 -0.28 -0.16 -0.65 0.70 0.00 0.00 175.22 174.87 1jxn s GLN 21 N 0.27 1.43 7.27 0.44 -0.21 0.10 -4.97 119.66 123.99 1jxn s GLN 21 Ca -0.13 -1.65 0.00 0.00 0.02 0.00 0.00 55.36 53.60 1jxn s GLN 21 Cb -0.16 -1.30 0.00 0.00 1.00 0.00 0.00 33.01 32.55 1jxn s GLN 21 CO 0.07 0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.87 1jxn n GLY 22 N -0.45 2.48 1.78 3.09 0.00 -1.26 -1.25 105.19 109.57 1jxn n GLY 22 Ca -0.07 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 1jxn n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jxn n ASN 23 N 5.58 4.47 -4.84 1.61 5.03 -0.68 -4.94 115.26 121.49 1jxn n ASN 23 Ca 0.00 -3.78 -0.36 0.00 0.87 0.00 0.00 54.58 51.31 1jxn n ASN 23 Cb 0.00 -0.42 -0.06 0.00 -1.02 0.00 0.00 39.78 38.28 1jxn n ASN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jxn s ALA 24 N -3.54 3.58 0.07 5.41 0.00 -1.11 -3.94 121.76 122.23 1jxn s ALA 24 Ca 0.49 -0.11 -0.27 0.00 0.00 0.00 0.00 51.96 52.07 1jxn s ALA 24 Cb 0.41 -2.54 0.09 0.00 0.00 0.00 0.00 23.12 21.08 1jxn s ALA 24 CO 0.02 0.45 1.13 -1.54 0.00 0.00 0.00 175.76 175.81 1jxn s SER 25 N -1.62 -0.10 -0.28 0.00 1.04 -0.77 -4.69 113.70 107.28 1jxn s SER 25 Ca 0.36 -0.30 -0.12 0.00 0.48 0.00 0.00 55.95 56.37 1jxn s SER 25 Cb -0.16 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.24 1jxn s SER 25 CO 0.19 -0.61 0.22 -0.69 0.98 0.00 0.00 173.24 173.33 1jxn s VAL 26 N -2.73 5.29 0.48 5.02 1.01 -1.26 -0.49 120.40 127.71 1jxn s VAL 26 Ca 0.15 0.22 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 1jxn s VAL 26 Cb 0.01 -3.57 -0.08 0.00 0.00 0.00 0.00 36.38 32.75 1jxn s VAL 26 CO -0.00 0.22 0.93 0.27 0.00 0.00 0.00 175.10 176.52 1jxn s ILE 27 N 1.81 4.58 0.45 2.22 -4.36 -0.66 -4.83 121.20 120.41 1jxn s ILE 27 Ca 0.08 1.11 0.16 0.00 -0.26 0.00 0.00 60.65 61.75 1jxn s ILE 27 Cb -0.16 -3.71 0.16 0.00 1.25 0.00 0.00 42.46 40.00 1jxn s ILE 27 CO 0.11 -0.61 1.44 -0.08 0.24 0.00 0.00 174.94 176.04 1jxn h GLU 28 N 1.10 0.00 -0.39 0.37 4.81 -1.96 0.36 114.58 118.88 1jxn h GLU 28 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1jxn h GLU 28 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1jxn h GLU 28 CO 0.62 0.00 0.00 -2.37 -0.73 0.00 0.00 179.01 176.53 1jxn n THR 29 N -2.46 0.35 -3.00 0.32 5.66 -1.26 -4.88 114.28 109.00 1jxn n THR 29 Ca -0.01 -0.25 -0.19 0.00 -3.05 0.00 0.00 64.05 60.54 1jxn n THR 29 Cb 0.53 -0.06 0.04 0.00 -1.55 0.00 0.00 70.33 69.29 1jxn n THR 29 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1jxn n GLY 30 N 0.58 -0.35 3.21 1.09 0.00 0.13 -4.96 105.19 104.89 1jxn n GLY 30 Ca 0.06 0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1jxn n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jxn s VAL 31 N -3.12 1.57 -0.30 1.61 1.01 -1.22 -1.18 120.40 118.76 1jxn s VAL 31 Ca 0.30 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 1jxn s VAL 31 Cb -0.13 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 34.94 1jxn s VAL 31 CO 0.37 0.36 1.10 -0.22 0.00 0.00 0.00 175.10 176.71 1jxn s LEU 32 N -0.68 3.95 -0.52 3.92 0.20 -0.35 -1.65 118.68 123.56 1jxn s LEU 32 Ca 0.07 1.13 -0.13 0.00 0.69 0.00 0.00 54.13 55.89 1jxn s LEU 32 Cb -0.08 -3.54 0.13 0.00 -0.43 0.00 0.00 46.19 42.27 1jxn s LEU 32 CO 0.00 -0.87 0.44 -1.58 -0.29 0.00 0.00 176.35 174.04 1jxn s GLN 33 N 3.65 2.76 0.31 1.98 0.74 0.36 -0.62 119.66 128.84 1jxn s GLN 33 Ca 0.47 -1.77 -0.01 0.00 0.05 0.00 0.00 55.36 54.10 1jxn s GLN 33 Cb -0.13 -4.13 0.48 0.00 1.10 0.00 0.00 33.01 30.33 1jxn s GLN 33 CO 0.15 -1.27 1.96 -0.07 -0.55 0.00 0.00 175.29 175.52 1jxn h LEU 34 N 8.64 0.89 -7.64 3.68 4.07 -1.36 -2.04 115.31 121.54 1jxn h LEU 34 Ca -0.25 -0.04 -0.11 0.00 0.08 0.00 0.00 57.88 57.57 1jxn h LEU 34 Cb 1.08 -0.22 -0.18 0.00 1.08 0.00 0.00 40.66 42.43 1jxn h LEU 34 CO 0.95 0.66 -0.33 0.54 -1.08 0.00 0.00 178.44 179.19 1jxn s ASN 35 N -6.36 -0.06 0.27 -0.43 4.22 -1.25 -2.65 114.94 108.68 1jxn s ASN 35 Ca -0.11 -0.23 0.08 0.00 -2.14 0.00 0.00 52.86 50.46 1jxn s ASN 35 Cb 0.18 0.31 -0.04 0.00 1.28 0.00 0.00 41.25 42.98 1jxn s ASN 35 CO 0.79 -0.56 0.10 -1.59 -2.04 0.00 0.00 177.10 173.80 1jxn s LYS 36 N -2.34 2.56 -0.06 3.55 -2.85 -1.25 -4.18 119.74 115.16 1jxn s LYS 36 Ca -0.07 -1.28 0.04 0.00 -1.00 0.00 0.00 55.97 53.67 1jxn s LYS 36 Cb -0.02 -2.33 -0.00 0.00 -2.06 0.00 0.00 37.83 33.42 1jxn s LYS 36 CO -0.02 0.35 -0.19 0.14 0.10 0.00 0.00 175.35 175.73 1jxn s VAL 37 N -2.26 1.61 0.00 1.79 -7.23 -1.26 -4.88 120.40 108.17 1jxn s VAL 37 Ca 0.33 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 1jxn s VAL 37 Cb -0.07 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.48 1jxn s VAL 37 CO 0.22 0.46 0.00 0.61 -0.31 0.00 0.00 175.10 176.08 1jxn n GLY 38 N 3.34 1.82 0.00 2.32 0.00 -1.26 -4.99 105.19 106.42 1jxn n GLY 38 Ca -0.19 -0.86 0.07 0.00 0.00 0.00 0.00 46.02 45.04 1jxn n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jxn n ASN 39 N 0.00 0.00 -0.67 1.61 0.23 -1.26 -2.05 115.26 113.12 1jxn n ASN 39 Ca 0.00 -0.24 0.13 0.00 -0.53 0.00 0.00 54.58 53.93 1jxn n ASN 39 Cb 0.00 -0.11 0.37 0.00 -2.08 0.00 0.00 39.78 37.95 1jxn n ASN 39 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1jxn n ASN 40 N -1.11 2.07 -4.68 0.53 5.03 -1.26 -4.94 115.26 110.89 1jxn n ASN 40 Ca 0.09 -1.70 -0.27 0.00 0.87 0.00 0.00 54.58 53.57 1jxn n ASN 40 Cb 0.08 -0.04 -0.08 0.00 -1.02 0.00 0.00 39.78 38.72 1jxn n ASN 40 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1jxn s LEU 41 N -1.88 3.40 1.05 3.41 1.43 -0.87 -5.13 118.68 120.09 1jxn s LEU 41 Ca 0.35 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.01 1jxn s LEU 41 Cb 0.20 -2.07 0.22 0.00 0.03 0.00 0.00 46.19 44.57 1jxn s LEU 41 CO 0.31 0.11 1.07 -2.16 0.23 0.00 0.00 176.35 175.91 1jxn s PRO 42 N -2.80 -0.01 0.10 1.29 0.04 -1.26 -4.96 135.00 127.40 1jxn s PRO 42 Ca 0.27 0.76 -0.33 0.00 0.04 0.00 0.00 61.00 61.75 1jxn s PRO 42 Cb -0.10 -1.67 -0.14 0.00 0.04 0.00 0.00 34.50 32.64 1jxn s PRO 42 CO 0.19 -3.09 1.59 -0.44 0.04 0.00 0.00 177.00 175.29 1jxn h ASP 43 N -2.16 -1.21 -3.71 6.66 3.45 -1.98 -3.38 116.42 114.09 1jxn h ASP 43 Ca -0.56 0.11 -0.63 0.00 0.43 0.00 0.00 57.03 56.38 1jxn h ASP 43 Cb 1.32 0.42 -0.15 0.00 -0.56 0.00 0.00 39.33 40.36 1jxn h ASP 43 CO 0.53 -0.56 -0.28 -1.61 -1.57 0.00 0.00 179.24 175.74 1jxn s GLU 44 N -5.92 4.03 -0.04 3.56 2.02 -1.26 -0.74 118.70 120.35 1jxn s GLU 44 Ca -0.17 -0.00 -0.15 0.00 0.02 0.00 0.00 54.97 54.66 1jxn s GLU 44 Cb 0.06 -3.63 0.03 0.00 0.10 0.00 0.00 34.13 30.68 1jxn s GLU 44 CO 0.62 -0.21 0.34 -0.08 0.02 0.00 0.00 175.26 175.95 1jxn s THR 45 N 1.88 0.04 0.00 3.63 -1.32 -0.78 -4.59 115.64 114.50 1jxn s THR 45 Ca 0.14 -0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 1jxn s THR 45 Cb -0.16 -0.62 0.00 0.00 -1.51 0.00 0.00 72.50 70.22 1jxn s THR 45 CO 0.09 -0.20 0.00 0.61 -2.21 0.00 0.00 174.62 172.92 1jxn n GLY 46 N 1.56 1.73 3.51 6.08 0.00 -1.26 -0.11 105.19 116.69 1jxn n GLY 46 Ca -0.20 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 1jxn n GLY 46 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jxn s GLY 47 N -0.85 -0.27 -0.02 -0.02 0.00 -0.38 -1.69 107.32 104.09 1jxn s GLY 47 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 44.72 44.76 1jxn s GLY 47 CO 0.00 -0.12 -0.14 -0.42 0.00 0.00 0.00 173.10 172.41 1jxn s ILE 48 N -3.83 1.16 -0.05 0.90 1.01 -0.38 -2.33 121.20 117.67 1jxn s ILE 48 Ca 0.06 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 1jxn s ILE 48 Cb -0.01 -0.98 0.03 0.00 0.01 0.00 0.00 42.46 41.51 1jxn s ILE 48 CO -0.06 0.33 0.02 0.00 0.00 0.00 0.00 174.94 175.24 1jxn s ALA 49 N -0.23 0.43 0.11 9.38 0.00 -0.83 0.01 121.76 130.63 1jxn s ALA 49 Ca 0.03 0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.11 1jxn s ALA 49 Cb -0.07 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1jxn s ALA 49 CO -0.00 -0.39 -0.14 1.03 0.00 0.00 0.00 175.76 176.26 1jxn s ARG 50 N 1.85 0.97 -0.16 0.00 0.52 -0.12 -0.43 118.95 121.58 1jxn s ARG 50 Ca 0.02 -1.17 -0.29 0.00 -0.52 0.00 0.00 55.73 53.77 1jxn s ARG 50 Cb -0.12 -0.87 -0.03 0.00 0.52 0.00 0.00 34.95 34.44 1jxn s ARG 50 CO -0.04 0.17 1.51 -0.47 0.02 0.00 0.00 175.30 176.50 1jxn s TYR 51 N -1.94 2.29 0.65 -0.53 6.14 -0.42 0.25 117.35 123.79 1jxn s TYR 51 Ca 0.06 0.57 0.13 0.00 0.64 0.00 0.00 57.07 58.47 1jxn s TYR 51 Cb -0.06 -3.83 0.62 0.00 0.42 0.00 0.00 41.96 39.11 1jxn s TYR 51 CO 0.03 -2.83 1.33 0.97 0.64 0.00 0.00 175.55 175.68 1jxn h ILE 52 N 5.78 0.02 -3.66 3.14 2.10 -0.91 -3.40 117.51 120.58 1jxn h ILE 52 Ca -0.33 0.00 -0.63 0.00 1.08 0.00 0.00 64.86 64.98 1jxn h ILE 52 Cb 1.14 0.21 -0.16 0.00 -1.09 0.00 0.00 36.82 36.93 1jxn h ILE 52 CO 0.98 0.00 -0.52 0.00 -1.08 0.00 0.00 178.15 177.53 1jxn s ALA 53 N -4.10 3.53 0.31 0.18 0.00 -1.26 -5.00 121.76 115.42 1jxn s ALA 53 Ca -0.01 -0.96 -0.29 0.00 0.00 0.00 0.00 51.96 50.70 1jxn s ALA 53 Cb 0.05 -2.32 -0.11 0.00 0.00 0.00 0.00 23.12 20.74 1jxn s ALA 53 CO 0.15 -0.29 1.49 -2.14 0.00 0.00 0.00 175.76 174.97 1jxn s PRO 54 N 1.26 4.19 -0.02 0.00 0.02 -1.26 -4.78 135.00 134.40 1jxn s PRO 54 Ca 0.07 2.46 -0.08 0.00 0.02 0.00 0.00 61.00 63.47 1jxn s PRO 54 Cb -0.14 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.29 1jxn s PRO 54 CO 0.06 -0.50 0.27 0.42 -0.33 0.00 0.00 177.00 176.92 1jxn s ILE 55 N -0.43 5.29 -0.69 2.83 -1.09 0.58 -4.76 121.20 122.94 1jxn s ILE 55 Ca 0.58 0.30 -0.23 0.00 -2.23 0.00 0.00 60.65 59.06 1jxn s ILE 55 Cb -0.45 -3.56 0.07 0.00 -1.58 0.00 0.00 42.46 36.94 1jxn s ILE 55 CO 0.51 0.45 1.04 -2.28 -1.23 0.00 0.00 174.94 173.43 1jxn s HIS 56 N -1.21 2.62 0.07 3.97 2.46 -1.26 -1.43 115.29 120.50 1jxn s HIS 56 Ca 0.25 -0.50 0.03 0.00 0.47 0.00 0.00 55.06 55.30 1jxn s HIS 56 Cb -0.14 -4.36 -0.25 0.00 -0.13 0.00 0.00 32.58 27.71 1jxn s HIS 56 CO 0.13 -1.73 1.10 0.97 -2.47 0.00 0.00 174.74 172.74 1jxn h ILE 57 N 5.99 1.46 -2.42 0.89 6.09 -0.52 -3.45 117.51 125.56 1jxn h ILE 57 Ca -0.26 -3.13 -0.06 0.00 -1.37 0.00 0.00 64.86 60.04 1jxn h ILE 57 Cb 1.06 2.81 -0.17 0.00 0.47 0.00 0.00 36.82 41.00 1jxn h ILE 57 CO 1.20 0.87 0.12 -1.66 -3.07 0.00 0.00 178.15 175.62 1jxn s TRP 58 N -2.67 -0.55 -0.28 2.19 1.48 -1.17 -0.78 118.94 117.17 1jxn s TRP 58 Ca -0.03 0.78 0.02 0.00 -1.06 0.00 0.00 56.10 55.82 1jxn s TRP 58 Cb 0.08 0.39 0.07 0.00 -1.16 0.00 0.00 33.47 32.86 1jxn s TRP 58 CO 0.84 -0.64 -0.03 1.21 -4.06 0.00 0.00 176.95 174.27 1jxn s ASN 59 N -1.63 4.36 0.35 -2.66 3.84 -0.47 -4.47 114.94 114.26 1jxn s ASN 59 Ca -0.08 -1.58 0.10 0.00 0.21 0.00 0.00 52.86 51.52 1jxn s ASN 59 Cb -0.01 -1.43 0.57 0.00 -0.55 0.00 0.00 41.25 39.83 1jxn s ASN 59 CO 0.03 -0.27 1.19 0.00 -2.79 0.00 0.00 177.10 175.26 1jxn h ASN 61 N 0.00 0.23 0.00 0.00 -0.26 -1.96 -3.37 115.58 110.22 1jxn h ASN 61 Ca 0.00 -0.33 0.00 0.00 -0.56 0.00 0.00 56.30 55.41 1jxn h ASN 61 Cb 0.84 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 38.03 1jxn h ASN 61 CO 0.00 1.28 -0.71 0.35 -1.06 0.00 0.00 177.43 177.28 1jxn n THR 62 N -3.35 0.00 -2.18 2.81 -2.24 -0.85 -4.98 114.28 103.49 1jxn n THR 62 Ca -0.13 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.30 1jxn n THR 62 Cb 1.02 0.85 -0.01 0.00 -2.10 0.00 0.00 70.33 70.10 1jxn n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jxn n GLY 63 N 1.38 -0.04 3.82 3.38 0.00 -0.26 -4.99 105.19 108.48 1jxn n GLY 63 Ca 0.01 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 1jxn n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jxn s GLU 64 N -4.49 4.18 -0.08 1.61 0.41 -1.17 -4.93 118.70 114.22 1jxn s GLU 64 Ca 0.00 0.73 0.03 0.00 -0.41 0.00 0.00 54.97 55.32 1jxn s GLU 64 Cb 0.00 -3.07 0.01 0.00 -1.78 0.00 0.00 34.13 29.29 1jxn s GLU 64 CO 0.00 0.53 -0.16 -1.17 -0.49 0.00 0.00 175.26 173.97 1jxn s LEU 65 N -1.56 1.76 0.51 1.80 0.20 -1.26 -1.36 118.68 118.77 1jxn s LEU 65 Ca 0.35 -0.38 -0.17 0.00 0.69 0.00 0.00 54.13 54.62 1jxn s LEU 65 Cb -0.18 -1.00 -0.08 0.00 -0.43 0.00 0.00 46.19 44.50 1jxn s LEU 65 CO 0.20 0.06 0.99 0.00 -0.29 0.00 0.00 176.35 177.31 1jxn s ALA 66 N 0.63 3.04 0.09 5.97 0.00 0.04 -4.83 121.76 126.70 1jxn s ALA 66 Ca -0.15 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.05 1jxn s ALA 66 Cb -0.16 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1jxn s ALA 66 CO 0.04 -0.24 0.12 -1.12 0.00 0.00 0.00 175.76 174.56 1jxn s SER 67 N -2.97 5.71 0.23 0.00 0.01 -0.53 -4.42 113.70 111.72 1jxn s SER 67 Ca 0.59 0.04 -0.12 0.00 1.31 0.00 0.00 55.95 57.77 1jxn s SER 67 Cb -0.10 -1.59 -0.00 0.00 0.21 0.00 0.00 66.02 64.54 1jxn s SER 67 CO 0.30 0.16 0.43 0.72 0.41 0.00 0.00 173.24 175.26 1jxn s PHE 68 N -1.46 0.38 -0.09 2.43 -0.71 -0.75 -1.56 117.98 116.22 1jxn s PHE 68 Ca 0.31 -0.73 -0.10 0.00 -1.04 0.00 0.00 56.93 55.37 1jxn s PHE 68 Cb -0.12 0.12 0.02 0.00 -1.21 0.00 0.00 43.02 41.84 1jxn s PHE 68 CO 0.23 -0.92 0.27 0.42 -1.34 0.00 0.00 175.22 173.88 1jxn s ILE 69 N -4.01 0.01 -0.10 -4.49 1.01 -0.35 -1.54 121.20 111.74 1jxn s ILE 69 Ca 0.22 -0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.72 1jxn s ILE 69 Cb 0.00 -0.40 0.03 0.00 0.01 0.00 0.00 42.46 42.11 1jxn s ILE 69 CO 0.07 -0.04 0.25 0.28 0.00 0.00 0.00 174.94 175.49 1jxn s THR 70 N -0.06 -0.02 0.11 2.92 -1.32 -0.37 -1.30 115.64 115.61 1jxn s THR 70 Ca -0.02 0.07 0.05 0.00 -1.21 0.00 0.00 61.69 60.58 1jxn s THR 70 Cb -0.02 -0.37 -0.04 0.00 -1.51 0.00 0.00 72.50 70.56 1jxn s THR 70 CO 0.01 0.03 -0.12 -0.44 -2.21 0.00 0.00 174.62 171.89 1jxn s SER 71 N 0.67 1.74 -0.05 8.08 0.01 -0.78 -0.96 113.70 122.40 1jxn s SER 71 Ca -0.04 -0.81 -0.31 0.00 1.31 0.00 0.00 55.95 56.09 1jxn s SER 71 Cb -0.06 -0.03 0.11 0.00 0.21 0.00 0.00 66.02 66.25 1jxn s SER 71 CO -0.04 -0.20 1.07 0.72 0.41 0.00 0.00 173.24 175.20 1jxn s PHE 72 N -2.30 -0.20 -0.02 2.43 -0.12 -0.26 -1.87 117.98 115.64 1jxn s PHE 72 Ca 0.07 0.07 0.06 0.00 -0.05 0.00 0.00 56.93 57.09 1jxn s PHE 72 Cb -0.04 0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 42.88 1jxn s PHE 72 CO 0.02 -0.42 -0.22 -1.12 -0.05 0.00 0.00 175.22 173.43 1jxn s SER 73 N -2.50 2.55 0.08 1.98 0.01 -1.23 -0.38 113.70 114.22 1jxn s SER 73 Ca 0.09 -0.40 -0.11 0.00 1.31 0.00 0.00 55.95 56.85 1jxn s SER 73 Cb -0.00 -0.34 0.01 0.00 0.21 0.00 0.00 66.02 65.90 1jxn s SER 73 CO -0.05 0.26 0.24 0.72 0.41 0.00 0.00 173.24 174.81 1jxn s PHE 74 N -0.45 0.05 0.19 2.43 -0.12 -0.89 -1.36 117.98 117.82 1jxn s PHE 74 Ca 0.07 -0.40 -0.03 0.00 -0.05 0.00 0.00 56.93 56.52 1jxn s PHE 74 Cb -0.09 0.01 -0.03 0.00 -0.63 0.00 0.00 43.02 42.28 1jxn s PHE 74 CO -0.00 -0.55 0.17 -0.59 -0.05 0.00 0.00 175.22 174.20 1jxn s PHE 75 N -3.53 0.93 0.15 3.49 -0.71 -0.82 -0.30 117.98 117.19 1jxn s PHE 75 Ca 0.02 -1.21 0.02 0.00 -1.04 0.00 0.00 56.93 54.72 1jxn s PHE 75 Cb 0.03 -0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 41.39 1jxn s PHE 75 CO -0.09 -0.67 -0.02 -1.64 -1.34 0.00 0.00 175.22 171.46 1jxn s MET 76 N -4.10 1.02 -0.03 1.99 -1.94 -1.26 -2.15 119.30 112.82 1jxn s MET 76 Ca 0.32 -1.47 -0.04 0.00 -1.71 0.00 0.00 55.69 52.80 1jxn s MET 76 Cb 0.06 -0.26 0.01 0.00 2.01 0.00 0.00 34.83 36.65 1jxn s MET 76 CO 0.08 -0.09 0.10 -1.21 -0.01 0.00 0.00 175.02 173.89 1jxn s GLU 77 N -3.88 0.16 -0.08 2.03 0.41 -0.81 -0.35 118.70 116.18 1jxn s GLU 77 Ca 0.20 0.04 -0.28 0.00 -0.41 0.00 0.00 54.97 54.52 1jxn s GLU 77 Cb 0.06 0.07 0.07 0.00 -1.78 0.00 0.00 34.13 32.54 1jxn s GLU 77 CO 0.01 -0.03 0.65 -0.08 -0.49 0.00 0.00 175.26 175.33 1jxn s THR 78 N -0.17 0.00 -1.72 3.63 -1.32 -1.26 -1.22 115.64 113.59 1jxn s THR 78 Ca -0.02 -0.04 0.19 0.00 -1.21 0.00 0.00 61.69 60.61 1jxn s THR 78 Cb -0.02 -0.96 0.61 0.00 -1.51 0.00 0.00 72.50 70.62 1jxn s THR 78 CO 0.00 -0.02 1.51 -1.20 -2.21 0.00 0.00 174.62 172.70 1jxn n SER 79 N 1.26 3.82 -4.81 8.08 7.64 -1.26 -4.92 113.62 123.42 1jxn n SER 79 Ca -0.18 -2.14 -0.23 0.00 1.01 0.00 0.00 58.87 57.33 1jxn n SER 79 Cb 0.57 -0.48 -0.05 0.00 -1.01 0.00 0.00 64.21 63.24 1jxn n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jxn s ALA 80 N -1.36 3.85 0.04 -0.43 0.00 -1.26 -5.08 121.76 117.53 1jxn s ALA 80 Ca 0.45 -1.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.15 1jxn s ALA 80 Cb 0.25 -0.69 -0.06 0.00 0.00 0.00 0.00 23.12 22.62 1jxn s ALA 80 CO 0.27 -0.21 1.41 1.21 0.00 0.00 0.00 175.76 178.45 1jxn s ASN 81 N -4.03 6.83 0.25 0.00 3.84 -1.26 -4.84 114.94 115.73 1jxn s ASN 81 Ca 0.44 2.20 -0.06 0.00 0.21 0.00 0.00 52.86 55.64 1jxn s ASN 81 Cb 0.00 -2.57 0.46 0.00 -0.55 0.00 0.00 41.25 38.60 1jxn s ASN 81 CO 0.25 -0.71 1.63 -0.65 -2.79 0.00 0.00 177.10 174.83 1jxn h PRO 82 N 7.57 0.09 -0.87 0.43 0.11 -1.94 0.23 132.00 137.61 1jxn h PRO 82 Ca -0.40 -0.01 0.20 0.00 0.11 0.00 0.00 66.00 65.91 1jxn h PRO 82 Cb 1.19 -0.02 -0.12 0.00 0.11 0.00 0.00 31.00 32.16 1jxn h PRO 82 CO 0.89 0.06 0.38 -0.22 -0.21 0.00 0.00 178.00 178.90 1jxn h LYS 83 N 0.09 0.40 -0.02 1.05 3.64 -1.97 -1.20 116.57 118.56 1jxn h LYS 83 Ca 0.43 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1jxn h LYS 83 Cb 0.76 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1jxn h LYS 83 CO -0.70 0.27 -0.21 0.00 -2.27 0.00 0.00 179.45 176.54 1jxn n ALA 84 N -2.51 2.95 -2.09 5.00 0.00 0.31 -4.98 120.51 119.20 1jxn n ALA 84 Ca 0.21 -0.62 -0.41 0.00 0.00 0.00 0.00 53.44 52.61 1jxn n ALA 84 Cb 0.61 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 19.15 1jxn n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jxn s ALA 85 N -2.23 3.40 0.38 0.00 0.00 0.55 -4.76 121.76 119.11 1jxn s ALA 85 Ca 0.25 0.88 0.08 0.00 0.00 0.00 0.00 51.96 53.17 1jxn s ALA 85 Cb 0.19 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1jxn s ALA 85 CO 0.43 -0.31 0.19 0.95 0.00 0.00 0.00 175.76 177.02 1jxn s THR 86 N -0.05 2.69 0.00 0.00 -4.23 -0.57 -4.55 115.64 108.93 1jxn s THR 86 Ca 0.52 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 1jxn s THR 86 Cb -0.31 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.55 1jxn s THR 86 CO 0.35 -0.09 0.00 0.47 -0.54 0.00 0.00 174.62 174.82 1jxn n ASP 87 N -1.24 3.46 0.00 3.99 9.92 -0.55 -3.86 116.55 128.28 1jxn n ASP 87 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1jxn n ASP 87 Cb 0.63 0.64 0.00 0.00 -0.64 0.00 0.00 41.12 41.74 1jxn n ASP 87 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jxn n GLY 88 N 1.81 0.51 3.24 0.44 0.00 -1.22 -1.39 105.19 108.58 1jxn n GLY 88 Ca 0.00 -2.22 -0.09 0.00 0.00 0.00 0.00 46.02 43.71 1jxn n GLY 88 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1jxn s LEU 89 N 0.00 1.19 0.10 0.99 2.34 -0.89 -1.41 118.68 120.99 1jxn s LEU 89 Ca 0.00 -0.61 0.00 0.00 0.06 0.00 0.00 54.13 53.59 1jxn s LEU 89 Cb 0.00 1.21 -0.04 0.00 -0.56 0.00 0.00 46.19 46.79 1jxn s LEU 89 CO 0.00 -0.77 -0.03 0.42 -1.06 0.00 0.00 176.35 174.92 1jxn s THR 90 N -3.86 0.45 -0.11 5.48 -4.23 -0.54 -0.61 115.64 112.23 1jxn s THR 90 Ca 0.06 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 58.67 1jxn s THR 90 Cb 0.04 -1.75 -0.02 0.00 1.34 0.00 0.00 72.50 72.12 1jxn s THR 90 CO -0.10 -0.80 -0.12 0.12 -0.54 0.00 0.00 174.62 173.18 1jxn s PHE 91 N -3.79 2.81 0.14 3.99 2.19 -0.26 -1.93 117.98 121.13 1jxn s PHE 91 Ca 0.14 -0.45 -0.05 0.00 0.33 0.00 0.00 56.93 56.90 1jxn s PHE 91 Cb 0.07 -1.79 -0.03 0.00 -1.31 0.00 0.00 43.02 39.96 1jxn s PHE 91 CO -0.04 -0.06 0.15 -0.59 1.83 0.00 0.00 175.22 176.51 1jxn s PHE 92 N -0.00 0.62 -0.04 10.12 -0.71 -0.47 -0.78 117.98 126.72 1jxn s PHE 92 Ca -0.03 -1.00 0.05 0.00 -1.04 0.00 0.00 56.93 54.91 1jxn s PHE 92 Cb -0.14 -0.28 -0.01 0.00 -1.21 0.00 0.00 43.02 41.38 1jxn s PHE 92 CO 0.04 -0.59 -0.20 -0.51 -1.34 0.00 0.00 175.22 172.61 1jxn s LEU 93 N -3.00 1.99 0.01 -1.99 1.02 -0.48 -2.19 118.68 114.04 1jxn s LEU 93 Ca 0.19 -0.40 -0.30 0.00 0.02 0.00 0.00 54.13 53.65 1jxn s LEU 93 Cb 0.06 -1.10 0.11 0.00 0.02 0.00 0.00 46.19 45.27 1jxn s LEU 93 CO -0.00 0.21 1.22 0.00 0.02 0.00 0.00 176.35 177.79 1jxn s ALA 94 N -0.17 -2.12 0.09 4.21 0.00 -1.13 -1.48 121.76 121.16 1jxn s ALA 94 Ca -0.00 0.64 -0.36 0.00 0.00 0.00 0.00 51.96 52.23 1jxn s ALA 94 Cb -0.11 0.39 -0.17 0.00 0.00 0.00 0.00 23.12 23.23 1jxn s ALA 94 CO 0.02 -1.03 1.27 -2.30 0.00 0.00 0.00 175.76 173.72 1jxn n PRO 95 N -0.46 1.01 0.23 0.00 -0.02 -1.26 0.12 135.00 134.61 1jxn n PRO 95 Ca -0.08 0.36 0.16 0.00 -2.02 0.00 0.00 63.50 61.93 1jxn n PRO 95 Cb 0.62 -1.96 0.72 0.00 -0.02 0.00 0.00 33.50 32.86 1jxn n PRO 95 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1jxn h PRO 96 N 4.15 0.00 -0.28 0.52 0.13 -1.85 -1.58 132.00 133.09 1jxn h PRO 96 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 1jxn h PRO 96 Cb 1.35 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.40 1jxn h PRO 96 CO 0.75 0.00 -0.13 -0.40 -0.23 0.00 0.00 178.00 177.99 1jxn n ASP 97 N -3.16 2.49 -4.69 1.44 3.85 -1.26 -4.90 116.55 110.32 1jxn n ASP 97 Ca 0.02 -3.70 -0.43 0.00 -0.71 0.00 0.00 54.79 49.98 1jxn n ASP 97 Cb 0.56 -0.60 -0.03 0.00 -1.35 0.00 0.00 41.12 39.69 1jxn n ASP 97 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1jxn n SER 98 N -1.08 3.91 -4.77 -1.12 7.64 -0.59 -4.95 113.62 112.65 1jxn n SER 98 Ca 0.29 1.00 -0.30 0.00 1.01 0.00 0.00 58.87 60.87 1jxn n SER 98 Cb 0.96 -1.52 0.10 0.00 -1.01 0.00 0.00 64.21 62.73 1jxn n SER 98 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1jxn s PRO 99 N 2.55 2.09 -0.12 1.43 0.04 -1.26 -4.93 135.00 134.79 1jxn s PRO 99 Ca 0.82 0.95 -0.29 0.00 0.04 0.00 0.00 61.00 62.51 1jxn s PRO 99 Cb -0.52 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 1jxn s PRO 99 CO 0.38 -1.70 1.43 -1.17 0.04 0.00 0.00 177.00 175.99 1jxn s LEU 100 N -5.91 4.23 0.00 -3.56 2.96 -1.26 -4.94 118.68 110.19 1jxn s LEU 100 Ca 0.61 1.90 0.05 0.00 -0.22 0.00 0.00 54.13 56.47 1jxn s LEU 100 Cb -0.16 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.07 1jxn s LEU 100 CO 0.56 -0.84 0.63 0.54 -1.32 0.00 0.00 176.35 175.91 1jxn n ARG 101 N 6.86 0.50 -1.68 1.98 1.74 0.24 -5.04 116.66 121.25 1jxn n ARG 101 Ca 0.15 -2.15 -0.43 0.00 -0.77 0.00 0.00 57.85 54.65 1jxn n ARG 101 Cb 0.44 -0.28 -0.01 0.00 -1.02 0.00 0.00 32.46 31.59 1jxn n ARG 101 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1jxn n ARG 102 N -2.06 2.06 0.00 5.56 0.63 -1.15 -4.19 116.66 117.52 1jxn n ARG 102 Ca 0.12 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 57.78 1jxn n ARG 102 Cb 0.43 -2.33 0.00 0.00 0.45 0.00 0.00 32.46 31.01 1jxn n ARG 102 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jxn n ALA 103 N 0.93 0.00 0.00 5.13 0.00 -1.26 -0.52 120.51 124.78 1jxn n ALA 103 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1jxn n ALA 103 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1jxn n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jxn n GLY 104 N 5.00 1.68 0.16 0.00 0.00 -1.25 -3.15 105.19 107.63 1jxn n GLY 104 Ca 0.00 -0.74 0.15 0.00 0.00 0.00 0.00 46.02 45.42 1jxn n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jxn n GLY 105 N 0.00 -0.78 1.86 -0.02 0.00 -1.26 -3.65 105.19 101.34 1jxn n GLY 105 Ca 0.00 -0.28 0.06 0.00 0.00 0.00 0.00 46.02 45.80 1jxn n GLY 105 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jxn n TYR 106 N -0.75 2.07 -1.27 1.61 4.02 -1.19 -4.97 117.16 116.69 1jxn n TYR 106 Ca 0.18 -0.77 0.00 0.00 -0.01 0.00 0.00 57.90 57.30 1jxn n TYR 106 Cb 0.25 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 39.05 1jxn n TYR 106 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1jxn n PHE 107 N 0.51 -1.05 0.00 -0.72 3.01 -1.24 -0.65 117.46 117.32 1jxn n PHE 107 Ca 0.29 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.75 1jxn n PHE 107 Cb 1.21 -0.73 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 1jxn n PHE 107 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jxn n GLY 108 N -0.16 2.46 0.09 1.37 0.00 0.32 -4.68 105.19 104.59 1jxn n GLY 108 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1jxn n GLY 108 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jxn n LEU 109 N 0.00 0.69 -4.23 0.99 4.77 0.17 0.81 117.00 120.21 1jxn n LEU 109 Ca 0.00 0.30 -0.21 0.00 -0.03 0.00 0.00 56.01 56.06 1jxn n LEU 109 Cb 0.00 0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.04 1jxn n LEU 109 CO 0.00 0.10 -0.49 -0.36 -1.33 0.00 0.00 177.39 175.31 1jxn s PHE 110 N -3.03 1.52 0.07 -1.77 0.08 -0.66 -4.80 117.98 109.38 1jxn s PHE 110 Ca -0.04 -0.43 -0.14 0.00 0.12 0.00 0.00 56.93 56.44 1jxn s PHE 110 Cb 0.09 -0.85 -0.23 0.00 -0.57 0.00 0.00 43.02 41.46 1jxn s PHE 110 CO 0.82 0.13 1.18 -0.91 -0.10 0.00 0.00 175.22 176.34 1jxn h ASN 111 N 4.26 0.88 -0.58 1.36 2.35 -1.89 -3.05 115.58 118.92 1jxn h ASN 111 Ca -0.43 -0.74 0.01 0.00 -0.55 0.00 0.00 56.30 54.59 1jxn h ASN 111 Cb 1.18 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 39.28 1jxn h ASN 111 CO 0.40 1.51 0.02 -0.90 -1.65 0.00 0.00 177.43 176.81 1jxn n ASP 112 N -3.89 -0.06 0.00 5.81 5.68 -1.26 -4.83 116.55 117.99 1jxn n ASP 112 Ca -0.11 -1.03 0.08 0.00 -0.50 0.00 0.00 54.79 53.23 1jxn n ASP 112 Cb 0.86 0.10 0.45 0.00 -1.14 0.00 0.00 41.12 41.39 1jxn n ASP 112 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1jxn n THR 113 N -0.03 0.00 -2.47 2.12 -1.04 -1.26 -4.77 114.28 106.83 1jxn n THR 113 Ca -0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1jxn n THR 113 Cb 0.02 -0.74 -0.03 0.00 -1.82 0.00 0.00 70.33 67.77 1jxn n THR 113 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1jxn s LYS 114 N -2.00 4.39 -0.12 -2.82 2.20 -1.26 -4.75 119.74 115.37 1jxn s LYS 114 Ca 0.23 1.67 -0.29 0.00 -0.36 0.00 0.00 55.97 57.21 1jxn s LYS 114 Cb 0.10 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 1jxn s LYS 114 CO 0.17 -0.37 1.38 0.00 -0.36 0.00 0.00 175.35 176.17 1jxn s ASP 116 N 2.36 0.91 0.33 0.00 3.68 -0.87 -5.03 116.67 118.05 1jxn s ASP 116 Ca 0.61 -0.13 0.17 0.00 2.13 0.00 0.00 52.55 55.33 1jxn s ASP 116 Cb -0.26 -0.34 0.37 0.00 -1.45 0.00 0.00 42.92 41.24 1jxn s ASP 116 CO 0.20 -0.01 1.58 0.77 0.13 0.00 0.00 175.17 177.85 1jxn h SER 117 N 6.77 0.00 0.10 -0.34 4.64 -1.95 -3.22 113.55 119.55 1jxn h SER 117 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1jxn h SER 117 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1jxn h SER 117 CO 0.48 0.44 0.00 -1.54 -0.87 0.00 0.00 176.83 175.35 1jxn n SER 118 N -3.36 0.00 -0.01 4.97 3.41 -1.26 -1.62 113.62 115.76 1jxn n SER 118 Ca 0.01 0.24 -0.17 0.00 -0.26 0.00 0.00 58.87 58.68 1jxn n SER 118 Cb 0.63 -0.30 -0.09 0.00 -0.26 0.00 0.00 64.21 64.19 1jxn n SER 118 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1jxn h TYR 119 N 0.00 0.79 -6.06 7.33 0.05 -1.88 -3.47 116.97 113.72 1jxn h TYR 119 Ca 0.00 -0.38 -0.44 0.00 0.05 0.00 0.00 58.73 57.96 1jxn h TYR 119 Cb 0.05 -0.11 0.05 0.00 1.01 0.00 0.00 36.73 37.73 1jxn h TYR 119 CO 0.00 1.18 -0.72 1.04 -1.05 0.00 0.00 178.16 178.61 1jxn n GLN 120 N -4.13 -6.72 -4.54 4.88 6.02 -0.64 -4.54 117.38 107.71 1jxn n GLN 120 Ca -0.09 0.71 -0.33 0.00 -0.01 0.00 0.00 57.00 57.28 1jxn n GLN 120 Cb 0.68 -5.69 -0.13 0.00 1.02 0.00 0.00 30.24 26.12 1jxn n GLN 120 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1jxn s THR 121 N -3.30 3.62 -0.28 5.09 2.01 -1.26 -4.08 115.64 117.43 1jxn s THR 121 Ca 0.63 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 62.17 1jxn s THR 121 Cb -0.30 -2.56 0.08 0.00 0.01 0.00 0.00 72.50 69.74 1jxn s THR 121 CO 0.78 0.51 0.03 -0.69 -0.69 0.00 0.00 174.62 174.56 1jxn s VAL 122 N 0.22 1.38 0.24 3.82 1.01 -0.55 -0.51 120.40 126.00 1jxn s VAL 122 Ca -0.04 -1.48 0.12 0.00 0.00 0.00 0.00 61.98 60.57 1jxn s VAL 122 Cb -0.14 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1jxn s VAL 122 CO 0.04 -0.43 -0.22 0.00 0.00 0.00 0.00 175.10 174.49 1jxn s ALA 123 N 1.40 2.64 -0.21 5.51 0.00 -0.49 -1.39 121.76 129.23 1jxn s ALA 123 Ca 0.04 -1.76 -0.00 0.00 0.00 0.00 0.00 51.96 50.23 1jxn s ALA 123 Cb -0.18 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.67 1jxn s ALA 123 CO -0.14 0.35 -0.14 0.08 0.00 0.00 0.00 175.76 175.92 1jxn s VAL 124 N -2.11 2.46 0.14 0.00 1.01 0.04 -0.80 120.40 121.14 1jxn s VAL 124 Ca 0.25 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1jxn s VAL 124 Cb -0.06 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1jxn s VAL 124 CO 0.12 0.40 0.17 -1.83 0.00 0.00 0.00 175.10 173.97 1jxn s GLU 125 N 1.31 3.08 -0.62 2.72 -1.05 0.10 -1.10 118.70 123.15 1jxn s GLU 125 Ca 0.03 -0.75 0.05 0.00 -0.15 0.00 0.00 54.97 54.15 1jxn s GLU 125 Cb -0.15 -2.77 0.17 0.00 -0.44 0.00 0.00 34.13 30.95 1jxn s GLU 125 CO -0.09 0.51 0.45 -0.06 0.95 0.00 0.00 175.26 177.02 1jxn s PHE 126 N -1.69 2.86 -0.17 4.83 0.40 0.22 -0.36 117.98 124.07 1jxn s PHE 126 Ca 0.32 -3.05 -0.29 0.00 -0.60 0.00 0.00 56.93 53.31 1jxn s PHE 126 Cb -0.11 -2.20 -0.00 0.00 0.51 0.00 0.00 43.02 41.22 1jxn s PHE 126 CO 0.25 -0.63 1.04 0.34 0.70 0.00 0.00 175.22 176.92 1jxn s ASP 127 N -1.00 7.15 0.11 1.36 -1.08 0.12 -2.09 116.67 121.23 1jxn s ASP 127 Ca 0.27 1.47 0.21 0.00 -0.52 0.00 0.00 52.55 53.98 1jxn s ASP 127 Cb -0.03 -2.55 -0.11 0.00 -1.46 0.00 0.00 42.92 38.78 1jxn s ASP 127 CO -0.17 -0.59 0.84 0.35 0.52 0.00 0.00 175.17 176.12 1jxn n THR 128 N 5.00 0.64 -3.81 1.71 -2.24 -0.49 0.30 114.28 115.39 1jxn n THR 128 Ca 0.11 -0.58 -0.25 0.00 -2.27 0.00 0.00 64.05 61.06 1jxn n THR 128 Cb 0.47 -0.36 -0.17 0.00 -2.10 0.00 0.00 70.33 68.17 1jxn n THR 128 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1jxn s ILE 129 N -3.27 0.61 0.00 2.28 1.10 -1.25 -3.93 121.20 116.73 1jxn s ILE 129 Ca -0.03 -0.06 0.00 0.00 -0.51 0.00 0.00 60.65 60.05 1jxn s ILE 129 Cb 0.10 -0.74 0.00 0.00 0.15 0.00 0.00 42.46 41.97 1jxn s ILE 129 CO 0.82 0.27 0.00 0.61 -2.11 0.00 0.00 174.94 174.53 1jxn n GLY 130 N 5.07 2.91 3.86 1.50 0.00 -1.25 -4.73 105.19 112.55 1jxn n GLY 130 Ca -0.09 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 1jxn n GLY 130 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jxn s SER 131 N -0.04 6.50 0.52 1.61 1.04 -0.23 -0.25 113.70 122.85 1jxn s SER 131 Ca 0.00 1.40 0.31 0.00 0.48 0.00 0.00 55.95 58.14 1jxn s SER 131 Cb 0.00 -2.44 1.12 0.00 0.10 0.00 0.00 66.02 64.79 1jxn s SER 131 CO 0.00 -0.60 1.89 1.55 0.98 0.00 0.00 173.24 177.06 1jxn h PRO 132 N 0.72 0.00 -0.91 4.02 0.13 -1.89 -3.33 132.00 130.74 1jxn h PRO 132 Ca -0.46 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.86 1jxn h PRO 132 Cb 1.19 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 1jxn h PRO 132 CO 0.62 0.00 0.47 0.28 -0.23 0.00 0.00 178.00 179.15 1jxn h VAL 133 N 0.00 0.61 -3.27 1.56 2.07 -1.90 -3.35 116.25 111.98 1jxn h VAL 133 Ca 0.00 -0.20 -0.63 0.00 0.82 0.00 0.00 66.70 66.69 1jxn h VAL 133 Cb 0.62 -0.00 -0.36 0.00 -1.52 0.00 0.00 31.29 30.03 1jxn h VAL 133 CO 0.00 0.10 -0.83 0.20 0.02 0.00 0.00 177.57 177.06 1jxn s ASN 134 N -5.31 3.21 0.00 0.57 0.02 0.66 -5.03 114.94 109.06 1jxn s ASN 134 Ca -0.12 -0.75 0.00 0.00 -1.02 0.00 0.00 52.86 50.97 1jxn s ASN 134 Cb 0.24 -1.33 0.00 0.00 0.02 0.00 0.00 41.25 40.18 1jxn s ASN 134 CO 0.79 -0.08 0.52 2.22 0.02 0.00 0.00 177.10 180.56 1jxn n PHE 135 N 4.66 0.00 0.00 2.20 -1.74 -1.26 -2.67 117.46 118.66 1jxn n PHE 135 Ca -0.17 -0.26 0.00 0.00 -0.56 0.00 0.00 57.45 56.46 1jxn n PHE 135 Cb 0.48 -0.19 0.00 0.00 1.52 0.00 0.00 39.48 41.29 1jxn n PHE 135 CO 0.00 0.00 0.00 -2.67 -0.56 0.00 0.00 176.76 173.53 1jxn n TRP 136 N 0.91 0.00 -2.96 2.97 2.14 -1.26 -5.05 117.44 114.19 1jxn n TRP 136 Ca 0.00 0.00 -0.19 0.00 2.07 0.00 0.00 57.50 59.38 1jxn n TRP 136 Cb 0.23 0.00 0.04 0.00 -0.81 0.00 0.00 31.31 30.77 1jxn n TRP 136 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1jxn s ASP 137 N -0.30 5.31 0.87 -0.67 1.11 -1.24 -4.92 116.67 116.83 1jxn s ASP 137 Ca 0.00 -0.55 -0.10 0.00 0.18 0.00 0.00 52.55 52.08 1jxn s ASP 137 Cb 0.00 -0.26 0.12 0.00 1.07 0.00 0.00 42.92 43.85 1jxn s ASP 137 CO 0.00 -1.10 1.13 -2.84 1.18 0.00 0.00 175.17 173.53 1jxn s PRO 138 N -4.57 1.44 0.00 8.23 0.02 -1.26 -3.34 135.00 135.52 1jxn s PRO 138 Ca 0.59 1.40 0.00 0.00 0.02 0.00 0.00 61.00 63.01 1jxn s PRO 138 Cb -0.08 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.65 1jxn s PRO 138 CO 0.37 -2.29 0.82 0.41 -0.33 0.00 0.00 177.00 175.97 1jxn n GLY 139 N -0.30 1.42 3.76 0.52 0.00 -1.26 -1.07 105.19 108.26 1jxn n GLY 139 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 1jxn n GLY 139 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1jxn s PHE 140 N 0.45 -0.21 0.51 1.61 -0.00 -1.25 -4.66 117.98 114.44 1jxn s PHE 140 Ca 0.00 -0.16 -0.21 0.00 -0.00 0.00 0.00 56.93 56.56 1jxn s PHE 140 Cb 0.00 0.66 -0.06 0.00 -0.00 0.00 0.00 43.02 43.62 1jxn s PHE 140 CO 0.00 -1.01 1.15 -1.25 -0.00 0.00 0.00 175.22 174.11 1jxn s PRO 141 N -3.62 3.52 0.14 1.99 0.04 -1.25 -3.81 135.00 132.01 1jxn s PRO 141 Ca 0.10 1.70 -0.25 0.00 0.04 0.00 0.00 61.00 62.59 1jxn s PRO 141 Cb -0.04 -2.19 0.07 0.00 0.04 0.00 0.00 34.50 32.38 1jxn s PRO 141 CO 0.03 -0.73 0.96 -3.38 0.04 0.00 0.00 177.00 173.91 1jxn s HIS 142 N -1.66 -0.14 0.38 0.56 -3.43 0.15 -1.33 115.29 109.82 1jxn s HIS 142 Ca 0.69 -0.15 0.08 0.00 -0.80 0.00 0.00 55.06 54.87 1jxn s HIS 142 Cb -0.26 0.63 -0.02 0.00 -1.43 0.00 0.00 32.58 31.50 1jxn s HIS 142 CO 0.31 -0.80 0.37 0.96 -2.00 0.00 0.00 174.74 173.58 1jxn s ILE 143 N -3.26 3.18 -0.15 -5.38 -4.36 -0.87 0.16 121.20 110.53 1jxn s ILE 143 Ca 0.12 -1.29 -0.32 0.00 -0.26 0.00 0.00 60.65 58.89 1jxn s ILE 143 Cb -0.01 -3.11 0.13 0.00 1.25 0.00 0.00 42.46 40.72 1jxn s ILE 143 CO 0.01 -0.09 1.10 -0.83 0.24 0.00 0.00 174.94 175.38 1jxn s GLY 144 N -4.10 -0.29 -0.48 6.27 0.00 0.52 -2.43 107.32 106.80 1jxn s GLY 144 Ca 0.45 1.65 -0.13 0.00 0.00 0.00 0.00 44.72 46.69 1jxn s GLY 144 CO 0.28 0.63 0.39 -0.42 0.00 0.00 0.00 173.10 173.98 1jxn s ILE 145 N -2.23 4.80 -0.15 0.90 1.01 -0.99 0.03 121.20 124.57 1jxn s ILE 145 Ca 0.06 -1.44 -0.13 0.00 0.00 0.00 0.00 60.65 59.14 1jxn s ILE 145 Cb -0.01 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 1jxn s ILE 145 CO -0.05 -0.71 0.28 -1.81 0.00 0.00 0.00 174.94 172.66 1jxn s ASP 146 N 2.86 6.44 -0.27 3.58 1.01 0.02 -2.56 116.67 127.75 1jxn s ASP 146 Ca 0.04 0.52 0.01 0.00 0.71 0.00 0.00 52.55 53.83 1jxn s ASP 146 Cb -0.26 -2.18 0.07 0.00 1.01 0.00 0.00 42.92 41.56 1jxn s ASP 146 CO 0.03 0.13 -0.02 -0.69 0.21 0.00 0.00 175.17 174.84 1jxn s VAL 147 N 0.29 1.63 -1.23 -1.27 1.01 -1.26 -1.40 120.40 118.17 1jxn s VAL 147 Ca 0.16 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.65 1jxn s VAL 147 Cb -0.13 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1jxn s VAL 147 CO 0.04 -0.28 0.00 0.59 0.00 0.00 0.00 175.10 175.45 1jxn n ASN 148 N 4.60 -5.65 -3.48 3.32 3.02 0.33 -4.92 115.26 112.49 1jxn n ASN 148 Ca -0.08 0.29 -0.12 0.00 -0.03 0.00 0.00 54.58 54.64 1jxn n ASN 148 Cb 0.43 -4.16 -0.03 0.00 -0.61 0.00 0.00 39.78 35.41 1jxn n ASN 148 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jxn n VAL 150 N 0.01 0.07 -3.69 0.00 3.14 -1.26 -4.65 118.33 111.95 1jxn n VAL 150 Ca -0.15 -0.08 -0.39 0.00 -2.96 0.00 0.00 64.34 60.76 1jxn n VAL 150 Cb 0.62 -0.03 -0.11 0.00 -1.06 0.00 0.00 33.84 33.25 1jxn n VAL 150 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1jxn s LYS 151 N -1.93 2.60 0.23 1.45 1.02 -1.26 -4.91 119.74 116.94 1jxn s LYS 151 Ca 0.14 -1.29 -0.32 0.00 0.02 0.00 0.00 55.97 54.52 1jxn s LYS 151 Cb 0.07 -3.59 -0.12 0.00 -0.52 0.00 0.00 37.83 33.66 1jxn s LYS 151 CO 0.10 -0.78 1.65 0.43 -0.92 0.00 0.00 175.35 175.83 1jxn n SER 152 N 4.85 3.75 0.01 2.83 7.64 -1.26 -4.66 113.62 126.77 1jxn n SER 152 Ca -0.11 1.09 0.13 0.00 1.01 0.00 0.00 58.87 60.99 1jxn n SER 152 Cb 0.44 -1.55 0.55 0.00 -1.01 0.00 0.00 64.21 62.64 1jxn n SER 152 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1jxn n ILE 153 N 3.21 0.22 -3.58 0.44 -5.35 -1.06 -4.77 119.36 108.48 1jxn n ILE 153 Ca 0.14 0.04 -0.13 0.00 -0.27 0.00 0.00 62.75 62.52 1jxn n ILE 153 Cb 0.34 -0.60 -0.06 0.00 -1.74 0.00 0.00 39.64 37.58 1jxn n ILE 153 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1jxn s ASN 154 N -3.09 -0.53 0.13 7.28 3.84 -1.26 -5.04 114.94 116.28 1jxn s ASN 154 Ca 0.12 0.72 -0.14 0.00 0.21 0.00 0.00 52.86 53.77 1jxn s ASN 154 Cb 0.17 0.63 0.02 0.00 -0.55 0.00 0.00 41.25 41.52 1jxn s ASN 154 CO 0.48 -0.39 0.37 0.00 -2.79 0.00 0.00 177.10 174.78 1jxn s ALA 155 N -0.71 -0.73 0.03 1.71 0.00 -1.26 -2.35 121.76 118.45 1jxn s ALA 155 Ca -0.04 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.70 1jxn s ALA 155 Cb -0.02 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1jxn s ALA 155 CO 0.03 -0.64 -0.07 -2.00 0.00 0.00 0.00 175.76 173.08 1jxn s GLU 156 N -3.84 0.49 0.38 0.00 2.56 -1.02 -4.99 118.70 112.29 1jxn s GLU 156 Ca 0.05 -0.62 -0.27 0.00 0.00 0.00 0.00 54.97 54.14 1jxn s GLU 156 Cb 0.02 -0.30 -0.09 0.00 2.00 0.00 0.00 34.13 35.76 1jxn s GLU 156 CO -0.10 0.06 1.33 0.50 -0.56 0.00 0.00 175.26 176.49 1jxn s ARG 157 N -1.23 4.08 -0.18 4.30 3.52 -1.26 -2.04 118.95 126.14 1jxn s ARG 157 Ca -0.07 2.23 -0.02 0.00 -0.13 0.00 0.00 55.73 57.74 1jxn s ARG 157 Cb -0.08 -2.87 0.05 0.00 -1.56 0.00 0.00 34.95 30.50 1jxn s ARG 157 CO 0.00 -0.43 0.00 -0.46 -0.81 0.00 0.00 175.30 173.61 1jxn s TRP 158 N -1.21 1.28 -1.21 5.12 -0.00 -0.44 -4.73 118.94 117.75 1jxn s TRP 158 Ca 0.54 -0.93 -0.17 0.00 -0.00 0.00 0.00 56.10 55.54 1jxn s TRP 158 Cb -0.40 -1.12 0.11 0.00 -0.00 0.00 0.00 33.47 32.06 1jxn s TRP 158 CO 0.52 -0.60 1.55 -0.80 -0.00 0.00 0.00 176.95 177.62 1jxn s ASN 159 N 1.77 6.89 0.31 5.86 0.01 -1.26 -4.19 114.94 124.32 1jxn s ASN 159 Ca -0.01 -2.55 -0.29 0.00 -0.71 0.00 0.00 52.86 49.31 1jxn s ASN 159 Cb -0.16 -2.49 -0.12 0.00 0.41 0.00 0.00 41.25 38.88 1jxn s ASN 159 CO -0.07 -1.03 1.37 2.29 -1.51 0.00 0.00 177.10 178.15 1jxn n LYS 160 N 7.22 2.19 -4.64 -0.60 2.85 -1.26 -5.02 118.16 118.90 1jxn n LYS 160 Ca 0.41 0.77 -0.28 0.00 -1.05 0.00 0.00 58.31 58.16 1jxn n LYS 160 Cb 0.45 -2.41 -0.14 0.00 -0.65 0.00 0.00 35.03 32.29 1jxn n LYS 160 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1jxn s ARG 161 N -1.27 1.51 0.36 -1.58 0.52 -1.26 -5.06 118.95 112.18 1jxn s ARG 161 Ca 0.60 -1.12 0.08 0.00 -0.52 0.00 0.00 55.73 54.77 1jxn s ARG 161 Cb -0.58 -1.76 -0.06 0.00 0.52 0.00 0.00 34.95 33.07 1jxn s ARG 161 CO 0.57 0.44 0.02 0.71 0.02 0.00 0.00 175.30 177.06 1jxn s TYR 162 N -0.91 2.53 0.00 -0.53 1.51 -1.26 -4.75 117.35 113.94 1jxn s TYR 162 Ca 0.10 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 1jxn s TYR 162 Cb -0.10 -1.60 0.00 0.00 -0.11 0.00 0.00 41.96 40.16 1jxn s TYR 162 CO 0.03 0.44 0.00 0.41 -1.11 0.00 0.00 175.55 175.32 1jxn n GLY 163 N -0.98 -0.71 0.32 0.71 0.00 0.53 -4.14 105.19 100.92 1jxn n GLY 163 Ca -0.04 -1.61 0.06 0.00 0.00 0.00 0.00 46.02 44.43 1jxn n GLY 163 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jxn h LEU 164 N 0.00 0.46 0.00 0.99 5.85 -1.95 0.71 115.31 121.37 1jxn h LEU 164 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1jxn h LEU 164 Cb 0.00 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1jxn h LEU 164 CO 0.00 0.32 0.00 -0.46 -0.34 0.00 0.00 178.44 177.96 1jxn n ASN 165 N -4.47 0.00 -3.05 1.25 6.94 -1.26 -3.24 115.26 111.43 1jxn n ASN 165 Ca 0.05 -1.02 -0.22 0.00 -0.02 0.00 0.00 54.58 53.37 1jxn n ASN 165 Cb 0.14 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.53 1jxn n ASN 165 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1jxn n ASN 166 N -0.83 2.45 -4.86 0.53 3.02 0.24 -4.93 115.26 110.88 1jxn n ASN 166 Ca 0.12 -3.30 -0.31 0.00 -0.03 0.00 0.00 54.58 51.06 1jxn n ASN 166 Cb 0.06 -0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 38.62 1jxn n ASN 166 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1jxn s VAL 167 N -3.37 4.62 -0.02 2.41 0.11 -1.20 -4.62 120.40 118.34 1jxn s VAL 167 Ca 0.43 1.02 0.05 0.00 -2.93 0.00 0.00 61.98 60.55 1jxn s VAL 167 Cb 0.33 -3.76 -0.01 0.00 -1.53 0.00 0.00 36.38 31.41 1jxn s VAL 167 CO -0.10 -0.78 -0.15 0.00 -3.33 0.00 0.00 175.10 170.74 1jxn s ALA 168 N -2.72 1.30 -0.57 1.54 0.00 0.59 -4.22 121.76 117.68 1jxn s ALA 168 Ca 0.57 -0.65 -0.20 0.00 0.00 0.00 0.00 51.96 51.68 1jxn s ALA 168 Cb -0.10 -0.35 0.08 0.00 0.00 0.00 0.00 23.12 22.75 1jxn s ALA 168 CO 0.37 0.30 0.72 -0.80 0.00 0.00 0.00 175.76 176.35 1jxn s ASN 169 N -0.28 6.20 -0.14 0.00 0.02 0.99 -2.10 114.94 119.63 1jxn s ASN 169 Ca 0.04 -1.16 -0.12 0.00 -1.02 0.00 0.00 52.86 50.61 1jxn s ASN 169 Cb -0.07 -2.32 -0.05 0.00 0.02 0.00 0.00 41.25 38.84 1jxn s ASN 169 CO -0.00 -1.08 0.24 -0.69 0.02 0.00 0.00 177.10 175.59 1jxn s VAL 170 N 2.88 5.33 -0.42 1.60 1.01 0.49 -1.04 120.40 130.25 1jxn s VAL 170 Ca 0.15 0.44 0.02 0.00 0.00 0.00 0.00 61.98 62.58 1jxn s VAL 170 Cb -0.21 -3.56 0.15 0.00 0.00 0.00 0.00 36.38 32.75 1jxn s VAL 170 CO 0.09 0.47 0.27 -1.61 0.00 0.00 0.00 175.10 174.32 1jxn s GLU 171 N -0.05 1.02 0.14 2.72 2.02 -0.75 -1.10 118.70 122.71 1jxn s GLU 171 Ca 0.15 -1.87 -0.23 0.00 0.02 0.00 0.00 54.97 53.04 1jxn s GLU 171 Cb -0.13 -1.85 -0.08 0.00 0.10 0.00 0.00 34.13 32.18 1jxn s GLU 171 CO 0.04 -1.23 0.71 0.42 0.02 0.00 0.00 175.26 175.22 1jxn s ILE 172 N 0.43 4.49 0.28 -1.63 1.01 -0.13 -3.60 121.20 122.05 1jxn s ILE 172 Ca 0.21 1.54 0.02 0.00 0.00 0.00 0.00 60.65 62.42 1jxn s ILE 172 Cb -0.17 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 1jxn s ILE 172 CO -0.05 0.52 0.10 -0.63 0.00 0.00 0.00 174.94 174.88 1jxn s ILE 173 N -1.15 0.66 -0.29 2.92 1.01 -0.51 -1.23 121.20 122.60 1jxn s ILE 173 Ca 0.34 -2.00 0.06 0.00 0.00 0.00 0.00 60.65 59.05 1jxn s ILE 173 Cb -0.22 -2.65 0.20 0.00 0.01 0.00 0.00 42.46 39.80 1jxn s ILE 173 CO 0.24 0.00 0.60 -0.47 0.00 0.00 0.00 174.94 175.30 1jxn s TYR 174 N -3.63 -1.85 -1.18 3.97 5.04 -0.59 -2.50 117.35 116.60 1jxn s TYR 174 Ca 0.37 1.07 -0.16 0.00 -2.44 0.00 0.00 57.07 55.91 1jxn s TYR 174 Cb 0.08 0.32 0.13 0.00 0.35 0.00 0.00 41.96 42.84 1jxn s TYR 174 CO 0.14 -1.08 1.48 -2.00 -1.34 0.00 0.00 175.55 172.75 1jxn s GLU 175 N 2.82 3.97 0.32 4.97 2.12 -0.91 -1.81 118.70 130.17 1jxn s GLU 175 Ca 0.10 -2.24 0.20 0.00 0.36 0.00 0.00 54.97 53.40 1jxn s GLU 175 Cb -0.10 -5.19 1.13 0.00 0.26 0.00 0.00 34.13 30.24 1jxn s GLU 175 CO -0.26 -1.92 1.27 0.00 -0.54 0.00 0.00 175.26 173.81 1jxn n ALA 176 N 6.67 0.93 -0.14 6.30 0.00 -1.26 -1.17 120.51 131.85 1jxn n ALA 176 Ca 0.38 0.78 -0.10 0.00 0.00 0.00 0.00 53.44 54.50 1jxn n ALA 176 Cb 0.45 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 18.99 1jxn n ALA 176 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1jxn h SER 177 N 0.00 -1.44 0.24 0.00 0.02 -1.89 -2.47 113.55 108.02 1jxn h SER 177 Ca 0.69 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.84 1jxn h SER 177 Cb 1.99 0.60 0.00 0.00 0.14 0.00 0.00 62.40 65.13 1jxn h SER 177 CO -0.53 -0.28 -0.17 -1.54 -1.14 0.00 0.00 176.83 173.16 1jxn n SER 178 N -4.71 0.88 -1.14 3.07 3.41 -0.31 -4.95 113.62 109.86 1jxn n SER 178 Ca -0.02 -0.86 -0.14 0.00 -0.26 0.00 0.00 58.87 57.59 1jxn n SER 178 Cb 0.25 0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.19 1jxn n SER 178 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jxn n LYS 179 N -0.66 -0.99 -3.75 4.33 5.02 -0.82 -4.92 118.16 116.37 1jxn n LYS 179 Ca 0.14 0.95 -0.36 0.00 -2.02 0.00 0.00 58.31 57.02 1jxn n LYS 179 Cb 0.32 -5.07 -0.07 0.00 -0.02 0.00 0.00 35.03 30.19 1jxn n LYS 179 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1jxn s THR 180 N -2.54 5.42 -0.02 -0.18 -4.23 -1.24 -0.84 115.64 112.00 1jxn s THR 180 Ca 0.00 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 1jxn s THR 180 Cb 0.00 -3.48 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 1jxn s THR 180 CO 0.00 0.50 0.03 -0.22 -0.54 0.00 0.00 174.62 174.40 1jxn s LEU 181 N -0.17 3.69 -0.25 4.79 2.96 -1.10 -2.15 118.68 126.45 1jxn s LEU 181 Ca 0.12 0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 54.06 1jxn s LEU 181 Cb -0.12 -2.09 0.13 0.00 0.50 0.00 0.00 46.19 44.62 1jxn s LEU 181 CO 0.01 0.29 0.49 0.28 -1.32 0.00 0.00 176.35 176.11 1jxn s THR 182 N -1.10 -0.78 0.42 3.68 -1.32 -1.04 -1.25 115.64 114.25 1jxn s THR 182 Ca 0.20 0.04 -0.02 0.00 -1.21 0.00 0.00 61.69 60.69 1jxn s THR 182 Cb -0.12 -0.84 -0.03 0.00 -1.51 0.00 0.00 72.50 70.01 1jxn s THR 182 CO 0.10 -0.01 0.67 0.00 -2.21 0.00 0.00 174.62 173.18 1jxn s ALA 183 N 2.70 3.56 -0.04 11.08 0.00 -0.78 -1.43 121.76 136.86 1jxn s ALA 183 Ca 0.06 -0.74 -0.19 0.00 0.00 0.00 0.00 51.96 51.08 1jxn s ALA 183 Cb -0.14 -2.33 0.04 0.00 0.00 0.00 0.00 23.12 20.69 1jxn s ALA 183 CO -0.16 -0.23 0.43 0.45 0.00 0.00 0.00 175.76 176.25 1jxn s SER 184 N -4.09 -0.35 -0.04 0.00 0.15 -1.24 -2.87 113.70 105.26 1jxn s SER 184 Ca 0.44 0.36 -0.01 0.00 0.70 0.00 0.00 55.95 57.44 1jxn s SER 184 Cb -0.10 0.45 0.03 0.00 -1.71 0.00 0.00 66.02 64.69 1jxn s SER 184 CO 0.40 -0.45 0.08 -0.22 1.20 0.00 0.00 173.24 174.25 1jxn s LEU 185 N -1.10 0.99 -0.08 3.45 0.20 -0.57 -1.80 118.68 119.76 1jxn s LEU 185 Ca -0.11 0.15 -0.00 0.00 0.69 0.00 0.00 54.13 54.86 1jxn s LEU 185 Cb -0.04 0.13 0.02 0.00 -0.43 0.00 0.00 46.19 45.88 1jxn s LEU 185 CO 0.05 -0.13 -0.05 -0.89 -0.29 0.00 0.00 176.35 175.05 1jxn s THR 186 N 1.02 0.73 -0.51 3.68 2.01 -0.20 -1.14 115.64 121.23 1jxn s THR 186 Ca -0.08 -0.14 -0.23 0.00 0.31 0.00 0.00 61.69 61.55 1jxn s THR 186 Cb -0.11 -0.79 0.04 0.00 0.01 0.00 0.00 72.50 71.64 1jxn s THR 186 CO -0.04 0.31 0.84 -0.31 -0.69 0.00 0.00 174.62 174.73 1jxn s TYR 187 N 1.59 2.90 0.24 4.92 2.02 -0.32 -0.00 117.35 128.70 1jxn s TYR 187 Ca 0.01 -0.03 -0.05 0.00 -0.37 0.00 0.00 57.07 56.63 1jxn s TYR 187 Cb -0.13 -3.85 0.44 0.00 -0.40 0.00 0.00 41.96 38.02 1jxn s TYR 187 CO -0.05 -1.17 1.72 -1.35 -1.57 0.00 0.00 175.55 173.12 1jxn h PRO 188 N 9.15 0.37 -0.90 -1.71 0.11 -1.87 -1.25 132.00 135.90 1jxn h PRO 188 Ca -0.26 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.93 1jxn h PRO 188 Cb 1.08 -0.08 -0.12 0.00 0.11 0.00 0.00 31.00 31.99 1jxn h PRO 188 CO 1.02 0.25 -0.48 -1.13 -0.21 0.00 0.00 178.00 177.45 1jxn n SER 189 N -5.05 -0.85 -0.27 -2.05 3.41 -1.26 -2.12 113.62 105.43 1jxn n SER 189 Ca 0.14 1.59 0.04 0.00 -0.26 0.00 0.00 58.87 60.37 1jxn n SER 189 Cb 0.41 -0.25 0.09 0.00 -0.26 0.00 0.00 64.21 64.20 1jxn n SER 189 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1jxn n ASP 190 N -5.18 2.48 -3.53 4.04 5.68 -1.22 -5.04 116.55 113.78 1jxn n ASP 190 Ca 0.04 -2.23 -0.20 0.00 -0.50 0.00 0.00 54.79 51.90 1jxn n ASP 190 Cb 0.27 -0.17 0.02 0.00 -1.14 0.00 0.00 41.12 40.09 1jxn n ASP 190 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jxn n GLN 191 N -0.33 -1.35 -4.87 0.11 1.13 -0.48 -5.02 117.38 106.57 1jxn n GLN 191 Ca 0.07 0.87 -0.26 0.00 -1.94 0.00 0.00 57.00 55.75 1jxn n GLN 191 Cb 0.41 -3.98 -0.16 0.00 0.11 0.00 0.00 30.24 26.62 1jxn n GLN 191 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1jxn s THR 192 N -3.16 1.45 0.02 5.09 -4.23 -1.14 -4.97 115.64 108.71 1jxn s THR 192 Ca 0.17 -0.76 -0.01 0.00 -1.18 0.00 0.00 61.69 59.91 1jxn s THR 192 Cb -0.06 -1.23 -0.02 0.00 1.34 0.00 0.00 72.50 72.53 1jxn s THR 192 CO 0.84 0.41 -0.01 -0.94 -0.54 0.00 0.00 174.62 174.38 1jxn s SER 193 N -0.21 0.26 0.26 3.99 1.04 -1.26 -1.17 113.70 116.61 1jxn s SER 193 Ca 0.02 -0.56 0.04 0.00 0.48 0.00 0.00 55.95 55.93 1jxn s SER 193 Cb -0.09 0.13 -0.06 0.00 0.10 0.00 0.00 66.02 66.10 1jxn s SER 193 CO 0.01 -0.36 -0.01 0.27 0.98 0.00 0.00 173.24 174.13 1jxn s ILE 194 N -1.90 1.25 0.31 -1.02 -4.36 -0.29 -4.98 121.20 110.21 1jxn s ILE 194 Ca -0.12 -2.05 -0.19 0.00 -0.26 0.00 0.00 60.65 58.03 1jxn s ILE 194 Cb -0.07 -2.47 0.05 0.00 1.25 0.00 0.00 42.46 41.23 1jxn s ILE 194 CO -0.02 -0.25 0.81 -0.94 0.24 0.00 0.00 174.94 174.77 1jxn s SER 195 N -3.38 -0.09 -0.17 4.36 1.04 -1.26 -1.52 113.70 112.67 1jxn s SER 195 Ca 0.30 -0.87 -0.15 0.00 0.48 0.00 0.00 55.95 55.71 1jxn s SER 195 Cb 0.06 0.75 0.05 0.00 0.10 0.00 0.00 66.02 66.97 1jxn s SER 195 CO 0.11 -1.45 0.45 0.68 0.98 0.00 0.00 173.24 174.01 1jxn s VAL 196 N -2.87 -0.00 -0.04 5.02 -7.23 -1.14 -4.73 120.40 109.42 1jxn s VAL 196 Ca 0.14 0.01 0.03 0.00 -1.81 0.00 0.00 61.98 60.35 1jxn s VAL 196 Cb -0.05 -0.64 0.00 0.00 0.56 0.00 0.00 36.38 36.26 1jxn s VAL 196 CO 0.09 0.00 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.88 1jxn s THR 197 N 0.35 0.99 -0.23 5.32 2.01 -1.26 -1.86 115.64 120.96 1jxn s THR 197 Ca -0.01 -0.46 -0.05 0.00 0.31 0.00 0.00 61.69 61.48 1jxn s THR 197 Cb -0.04 -0.88 0.11 0.00 0.01 0.00 0.00 72.50 71.71 1jxn s THR 197 CO -0.01 0.30 0.43 -0.44 -0.69 0.00 0.00 174.62 174.21 1jxn s SER 198 N 0.23 -0.20 -0.17 3.53 0.01 -0.38 -4.99 113.70 111.73 1jxn s SER 198 Ca -0.05 0.74 -0.29 0.00 1.31 0.00 0.00 55.95 57.66 1jxn s SER 198 Cb -0.10 1.36 -0.05 0.00 0.21 0.00 0.00 66.02 67.44 1jxn s SER 198 CO 0.01 -0.26 1.87 -0.51 0.41 0.00 0.00 173.24 174.76 1jxn s ILE 199 N 2.62 3.35 -0.07 1.44 2.07 -1.26 -2.73 121.20 126.62 1jxn s ILE 199 Ca 0.05 0.39 -0.02 0.00 -1.41 0.00 0.00 60.65 59.66 1jxn s ILE 199 Cb -0.13 -3.36 0.03 0.00 0.13 0.00 0.00 42.46 39.13 1jxn s ILE 199 CO -0.15 -0.16 0.04 0.54 -1.91 0.00 0.00 174.94 173.30 1jxn s VAL 200 N 5.95 0.11 -0.66 4.00 0.11 -0.02 -4.97 120.40 124.93 1jxn s VAL 200 Ca 0.83 0.21 -0.27 0.00 -2.93 0.00 0.00 61.98 59.83 1jxn s VAL 200 Cb -0.31 -0.38 0.04 0.00 -1.53 0.00 0.00 36.38 34.19 1jxn s VAL 200 CO 0.34 0.15 1.18 -0.62 -3.33 0.00 0.00 175.10 172.82 1jxn s ASP 201 N 2.07 6.27 0.60 3.54 -1.08 -1.26 -4.64 116.67 122.17 1jxn s ASP 201 Ca 0.04 -0.33 0.31 0.00 -0.52 0.00 0.00 52.55 52.05 1jxn s ASP 201 Cb -0.13 -2.53 1.86 0.00 -1.46 0.00 0.00 42.92 40.66 1jxn s ASP 201 CO -0.05 -1.62 2.25 -0.07 0.52 0.00 0.00 175.17 176.21 1jxn h LEU 202 N 12.26 0.00 -1.39 -1.34 3.38 -1.97 -1.67 115.31 124.57 1jxn h LEU 202 Ca -0.27 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1jxn h LEU 202 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1jxn h LEU 202 CO 1.22 0.00 -0.12 0.50 0.09 0.00 0.00 178.44 180.13 1jxn h LYS 203 N 0.00 0.25 -0.00 1.13 3.64 -1.90 -0.35 116.57 119.34 1jxn h LYS 203 Ca 0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1jxn h LYS 203 Cb 0.06 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1jxn h LYS 203 CO -0.00 0.38 -0.26 0.39 -2.27 0.00 0.00 179.45 177.69 1jxn n GLU 204 N -4.28 0.28 -0.00 1.90 -0.58 -0.63 -4.54 120.64 112.79 1jxn n GLU 204 Ca -0.01 -0.12 -0.01 0.00 -0.42 0.00 0.00 57.16 56.61 1jxn n GLU 204 Cb 0.26 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.64 1jxn n GLU 204 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1jxn n ILE 205 N -1.26 0.10 -3.70 -3.67 5.41 -1.03 -5.09 119.36 110.12 1jxn n ILE 205 Ca 0.09 0.01 -0.32 0.00 1.00 0.00 0.00 62.75 63.53 1jxn n ILE 205 Cb 0.32 -1.51 -0.05 0.00 -0.71 0.00 0.00 39.64 37.69 1jxn n ILE 205 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1jxn s LEU 206 N -6.09 4.30 0.82 1.39 1.43 -0.17 -4.42 118.68 115.94 1jxn s LEU 206 Ca -0.01 0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 53.55 1jxn s LEU 206 Cb 0.00 -3.16 0.09 0.00 0.03 0.00 0.00 46.19 43.15 1jxn s LEU 206 CO 0.01 0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.62 1jxn s PRO 207 N -2.45 1.86 0.20 1.29 0.04 -1.26 -4.71 135.00 129.97 1jxn s PRO 207 Ca 0.38 0.84 -0.15 0.00 0.04 0.00 0.00 61.00 62.11 1jxn s PRO 207 Cb -0.13 -1.88 0.21 0.00 0.04 0.00 0.00 34.50 32.75 1jxn s PRO 207 CO 0.23 -1.83 1.62 0.93 0.04 0.00 0.00 177.00 178.00 1jxn h GLU 208 N -1.25 -0.02 -4.79 4.56 5.08 -1.95 -3.37 114.58 112.84 1jxn h GLU 208 Ca -0.47 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.21 1jxn h GLU 208 Cb 1.26 0.01 -0.26 0.00 0.50 0.00 0.00 28.75 30.26 1jxn h GLU 208 CO 0.56 -0.01 -0.61 -1.58 -1.00 0.00 0.00 179.01 176.36 1jxn s TRP 209 N -6.21 3.16 0.44 4.33 0.52 -1.26 0.20 118.94 120.13 1jxn s TRP 209 Ca -0.14 -0.97 0.05 0.00 0.02 0.00 0.00 56.10 55.06 1jxn s TRP 209 Cb 0.19 -2.26 -0.05 0.00 -1.15 0.00 0.00 33.47 30.19 1jxn s TRP 209 CO 0.73 -0.58 0.03 0.14 0.02 0.00 0.00 176.95 177.30 1jxn s VAL 210 N 1.50 1.78 0.22 4.03 -7.23 -0.52 -4.20 120.40 115.98 1jxn s VAL 210 Ca 0.02 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.30 1jxn s VAL 210 Cb -0.17 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 1jxn s VAL 210 CO 0.03 0.00 0.19 -0.94 -0.31 0.00 0.00 175.10 174.06 1jxn s SER 211 N -3.79 5.58 -0.08 4.85 1.04 0.12 -0.30 113.70 121.10 1jxn s SER 211 Ca 0.27 -0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.53 1jxn s SER 211 Cb 0.07 -1.45 0.01 0.00 0.10 0.00 0.00 66.02 64.75 1jxn s SER 211 CO 0.14 -0.00 -0.12 0.68 0.98 0.00 0.00 173.24 174.91 1jxn s VAL 212 N -2.00 1.22 0.00 5.02 -7.23 -1.26 -2.85 120.40 113.30 1jxn s VAL 212 Ca 0.32 -0.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.99 1jxn s VAL 212 Cb -0.09 -1.13 0.00 0.00 0.56 0.00 0.00 36.38 35.72 1jxn s VAL 212 CO 0.25 0.38 0.00 0.61 -0.31 0.00 0.00 175.10 176.03 1jxn n GLY 213 N 4.06 1.96 3.46 2.32 0.00 -0.93 -1.30 105.19 114.77 1jxn n GLY 213 Ca -0.20 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 1jxn n GLY 213 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jxn s PHE 214 N -2.84 1.86 -0.11 1.61 0.40 0.43 -1.36 117.98 117.98 1jxn s PHE 214 Ca 0.00 -1.08 -0.20 0.00 -0.60 0.00 0.00 56.93 55.05 1jxn s PHE 214 Cb 0.00 -1.21 0.05 0.00 0.51 0.00 0.00 43.02 42.36 1jxn s PHE 214 CO 0.00 -0.12 0.50 -1.54 0.70 0.00 0.00 175.22 174.76 1jxn s SER 215 N -3.51 -0.47 -0.01 1.36 1.04 -0.81 -1.96 113.70 109.33 1jxn s SER 215 Ca 0.32 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.44 1jxn s SER 215 Cb 0.07 0.71 0.01 0.00 0.10 0.00 0.00 66.02 66.90 1jxn s SER 215 CO 0.15 -0.37 -0.01 -0.83 0.98 0.00 0.00 173.24 173.16 1jxn s GLY 216 N -0.56 0.11 0.08 7.32 0.00 -0.98 -1.46 107.32 111.82 1jxn s GLY 216 Ca -0.07 0.00 0.01 0.00 0.00 0.00 0.00 44.72 44.67 1jxn s GLY 216 CO 0.04 0.11 -0.06 -0.45 0.00 0.00 0.00 173.10 172.74 1jxn s SER 217 N 0.23 0.94 0.23 1.64 0.15 -0.50 -1.25 113.70 115.14 1jxn s SER 217 Ca -0.02 -0.89 -0.19 0.00 0.70 0.00 0.00 55.95 55.55 1jxn s SER 217 Cb -0.04 0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.40 1jxn s SER 217 CO -0.01 -0.43 0.60 0.28 1.20 0.00 0.00 173.24 174.89 1jxn s THR 218 N -3.13 0.01 0.04 6.45 -1.32 0.85 -1.48 115.64 117.07 1jxn s THR 218 Ca 0.05 -0.87 0.05 0.00 -1.21 0.00 0.00 61.69 59.71 1jxn s THR 218 Cb 0.02 -1.77 -0.02 0.00 -1.51 0.00 0.00 72.50 69.22 1jxn s THR 218 CO -0.04 -0.04 -0.14 -0.47 -2.21 0.00 0.00 174.62 171.72 1jxn s TYR 219 N -3.90 1.18 0.17 9.09 6.04 -1.26 -1.87 117.35 126.80 1jxn s TYR 219 Ca 0.11 -0.37 -0.34 0.00 0.04 0.00 0.00 57.07 56.51 1jxn s TYR 219 Cb -0.03 -0.69 -0.14 0.00 -1.04 0.00 0.00 41.96 40.06 1jxn s TYR 219 CO 0.02 0.03 1.48 1.51 -1.54 0.00 0.00 175.55 177.05 1jxn n ILE 220 N 1.80 0.29 0.00 3.14 3.06 0.08 -0.91 119.36 126.82 1jxn n ILE 220 Ca -0.19 -0.07 0.00 0.00 -2.50 0.00 0.00 62.75 59.99 1jxn n ILE 220 Cb 0.55 -1.39 0.00 0.00 0.54 0.00 0.00 39.64 39.34 1jxn n ILE 220 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1jxn n GLY 221 N 2.89 2.05 0.36 4.50 0.00 -1.26 -4.70 105.19 109.02 1jxn n GLY 221 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1jxn n GLY 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jxn n ARG 222 N -2.00 0.10 -1.57 1.61 1.74 -0.68 -4.94 116.66 110.92 1jxn n ARG 222 Ca 0.00 -0.95 -0.45 0.00 -0.77 0.00 0.00 57.85 55.67 1jxn n ARG 222 Cb 0.00 -0.55 -0.02 0.00 -1.02 0.00 0.00 32.46 30.87 1jxn n ARG 222 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1jxn n GLN 223 N -0.07 1.18 -3.66 5.56 6.02 -0.09 -1.51 117.38 124.83 1jxn n GLN 223 Ca 0.01 0.42 -0.15 0.00 -0.01 0.00 0.00 57.00 57.26 1jxn n GLN 223 Cb 0.64 -1.76 -0.08 0.00 1.02 0.00 0.00 30.24 30.07 1jxn n GLN 223 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jxn s ALA 224 N -0.94 -1.23 -0.12 -1.58 0.00 -1.25 -4.18 121.76 112.46 1jxn s ALA 224 Ca 0.61 0.84 -0.03 0.00 0.00 0.00 0.00 51.96 53.38 1jxn s ALA 224 Cb -0.74 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 1jxn s ALA 224 CO 0.59 -0.30 0.01 0.95 0.00 0.00 0.00 175.76 177.00 1jxn s THR 225 N -1.11 4.32 -0.17 0.00 -4.23 -0.35 -4.66 115.64 109.44 1jxn s THR 225 Ca -0.11 -0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 60.16 1jxn s THR 225 Cb -0.03 -2.86 -0.01 0.00 1.34 0.00 0.00 72.50 70.95 1jxn s THR 225 CO 0.06 0.55 -0.12 -1.00 -0.54 0.00 0.00 174.62 173.57 1jxn s HIS 226 N -0.38 2.83 0.00 3.99 3.76 -1.26 -1.93 115.29 122.31 1jxn s HIS 226 Ca 0.07 -0.95 0.03 0.00 -0.15 0.00 0.00 55.06 54.06 1jxn s HIS 226 Cb -0.12 -1.93 -0.01 0.00 1.11 0.00 0.00 32.58 31.63 1jxn s HIS 226 CO 0.02 -0.44 -0.10 -1.83 -0.85 0.00 0.00 174.74 171.54 1jxn s GLU 227 N 0.88 0.75 -0.12 1.40 -1.05 -0.92 -1.09 118.70 118.55 1jxn s GLU 227 Ca -0.03 -0.41 -0.04 0.00 -0.15 0.00 0.00 54.97 54.34 1jxn s GLU 227 Cb -0.15 -0.71 -0.04 0.00 -0.44 0.00 0.00 34.13 32.79 1jxn s GLU 227 CO -0.00 0.19 0.04 0.54 0.95 0.00 0.00 175.26 176.98 1jxn s VAL 228 N -0.37 4.64 -0.11 1.83 0.11 0.21 -1.94 120.40 124.76 1jxn s VAL 228 Ca 0.02 -0.11 -0.16 0.00 -2.93 0.00 0.00 61.98 58.80 1jxn s VAL 228 Cb -0.04 -3.01 -0.26 0.00 -1.53 0.00 0.00 36.38 31.53 1jxn s VAL 228 CO -0.00 0.56 0.52 -0.07 -3.33 0.00 0.00 175.10 172.78 1jxn h LEU 229 N 5.65 0.35 -8.22 2.54 3.38 -1.52 -0.92 115.31 116.56 1jxn h LEU 229 Ca -0.46 -0.84 -0.13 0.00 0.09 0.00 0.00 57.88 56.54 1jxn h LEU 229 Cb 1.19 -0.11 -0.13 0.00 0.09 0.00 0.00 40.66 41.70 1jxn h LEU 229 CO 0.60 1.61 -0.38 0.54 0.09 0.00 0.00 178.44 180.91 1jxn s ASN 230 N -7.00 0.07 -0.27 -0.43 2.20 -1.26 -3.74 114.94 104.51 1jxn s ASN 230 Ca -0.21 -1.00 -0.01 0.00 -0.94 0.00 0.00 52.86 50.70 1jxn s ASN 230 Cb 0.05 0.43 0.16 0.00 -2.00 0.00 0.00 41.25 39.89 1jxn s ASN 230 CO 0.75 -0.90 0.49 0.86 -2.94 0.00 0.00 177.10 175.36 1jxn s TRP 231 N -4.01 -1.24 0.01 1.54 -0.00 -0.32 -3.56 118.94 111.35 1jxn s TRP 231 Ca 0.22 1.22 -0.02 0.00 -0.00 0.00 0.00 56.10 57.52 1jxn s TRP 231 Cb 0.04 0.28 -0.04 0.00 -0.00 0.00 0.00 33.47 33.74 1jxn s TRP 231 CO 0.03 -0.82 0.18 -0.47 -0.00 0.00 0.00 176.95 175.87 1jxn s TYR 232 N 2.70 3.53 -0.25 5.86 5.04 -0.78 -1.16 117.35 132.29 1jxn s TYR 232 Ca 0.16 0.32 -0.10 0.00 -2.44 0.00 0.00 57.07 55.01 1jxn s TYR 232 Cb -0.15 -1.81 0.10 0.00 0.35 0.00 0.00 41.96 40.45 1jxn s TYR 232 CO -0.19 0.63 0.56 0.12 -1.34 0.00 0.00 175.55 175.33 1jxn s PHE 233 N -1.36 -1.02 0.04 4.97 5.36 -0.61 -1.88 117.98 123.48 1jxn s PHE 233 Ca 0.29 1.91 0.02 0.00 -0.96 0.00 0.00 56.93 58.19 1jxn s PHE 233 Cb -0.13 0.55 -0.03 0.00 -0.34 0.00 0.00 43.02 43.08 1jxn s PHE 233 CO 0.21 -0.54 -0.07 -0.08 -1.46 0.00 0.00 175.22 173.28 1jxn s THR 234 N 2.30 0.46 -0.07 0.12 -1.32 -0.42 -0.33 115.64 116.38 1jxn s THR 234 Ca -0.06 -1.14 -0.23 0.00 -1.21 0.00 0.00 61.69 59.04 1jxn s THR 234 Cb -0.10 -0.66 0.05 0.00 -1.51 0.00 0.00 72.50 70.28 1jxn s THR 234 CO -0.17 -0.47 0.53 -0.94 -2.21 0.00 0.00 174.62 171.37 1jxn s SER 235 N -1.72 -0.49 -0.06 8.08 1.04 0.14 -1.21 113.70 119.48 1jxn s SER 235 Ca -0.09 0.60 -0.25 0.00 0.48 0.00 0.00 55.95 56.69 1jxn s SER 235 Cb -0.08 0.59 0.06 0.00 0.10 0.00 0.00 66.02 66.69 1jxn s SER 235 CO -0.01 -0.47 0.57 0.28 0.98 0.00 0.00 173.24 174.59 1jxn s THR 236 N -0.93 0.02 -0.53 2.02 -1.32 -0.60 -0.30 115.64 114.00 1jxn s THR 236 Ca -0.10 -0.13 0.24 0.00 -1.21 0.00 0.00 61.69 60.49 1jxn s THR 236 Cb -0.03 -0.88 0.03 0.00 -1.51 0.00 0.00 72.50 70.12 1jxn s THR 236 CO 0.06 -0.07 1.24 -0.26 -2.21 0.00 0.00 174.62 173.38 1jxn h PHE 237 N 3.47 0.00 -1.91 9.09 0.04 -1.81 -1.41 116.94 124.41 1jxn h PHE 237 Ca -0.28 0.00 -0.78 0.00 2.80 0.00 0.00 57.97 59.72 1jxn h PHE 237 Cb 1.15 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 39.10 1jxn h PHE 237 CO 0.42 0.00 1.61 -0.89 -0.60 0.00 0.00 178.31 178.85 1jxn n ILE 238 N -2.28 4.85 -0.32 -0.55 -0.00 -1.26 -4.86 119.36 114.95 1jxn n ILE 238 Ca 0.02 -4.98 0.00 0.00 -0.00 0.00 0.00 62.75 57.79 1jxn n ILE 238 Cb 0.47 -2.20 0.00 0.00 -0.00 0.00 0.00 39.64 37.91 1jxn n ILE 238 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 1jxn n ASN 239 N 2.62 0.00 0.00 4.38 0.23 -1.26 -5.06 115.26 116.17 1jxn n ASN 239 Ca 0.38 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.43 1jxn n ASN 239 Cb 0.34 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 1jxn n ASN 239 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74