#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 0.36 -2.51 4.04 3.32 -1.95 -3.41 116.42 116.27 1jxn h ASP 2 Ca 0.00 -0.88 -0.61 0.00 0.02 0.00 0.00 57.03 55.56 1jxn h ASP 2 Cb 0.00 -0.12 -0.14 0.00 0.22 0.00 0.00 39.33 39.29 1jxn h ASP 2 CO 0.00 1.79 -0.75 -1.81 -1.72 0.00 0.00 179.24 176.74 1jxn s ASP 3 N -7.03 3.78 -0.29 6.45 -0.00 -1.26 -3.30 116.67 115.02 1jxn s ASP 3 Ca -0.23 -0.88 -0.21 0.00 -0.00 0.00 0.00 52.55 51.23 1jxn s ASP 3 Cb 0.06 -0.42 0.13 0.00 -0.00 0.00 0.00 42.92 42.69 1jxn s ASP 3 CO 0.75 0.06 1.00 -0.22 -0.00 0.00 0.00 175.17 176.76 1jxn s LEU 4 N -3.28 -0.49 -0.05 1.23 1.98 -0.74 -4.93 118.68 112.40 1jxn s LEU 4 Ca 0.28 0.85 -0.27 0.00 -2.89 0.00 0.00 54.13 52.09 1jxn s LEU 4 Cb -0.06 1.82 0.06 0.00 0.66 0.00 0.00 46.19 48.66 1jxn s LEU 4 CO 0.15 -0.14 0.59 -0.94 -1.89 0.00 0.00 176.35 174.12 1jxn s SER 5 N 0.79 -0.55 0.11 3.68 1.04 -1.26 0.11 113.70 117.62 1jxn s SER 5 Ca -0.03 0.59 -0.21 0.00 0.48 0.00 0.00 55.95 56.78 1jxn s SER 5 Cb -0.04 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.63 1jxn s SER 5 CO -0.11 -0.56 0.51 0.72 0.98 0.00 0.00 173.24 174.78 1jxn s PHE 6 N -1.19 -0.39 -0.15 5.02 -0.12 -0.71 -4.98 117.98 115.45 1jxn s PHE 6 Ca -0.11 0.23 -0.06 0.00 -0.05 0.00 0.00 56.93 56.94 1jxn s PHE 6 Cb -0.01 0.39 0.07 0.00 -0.63 0.00 0.00 43.02 42.84 1jxn s PHE 6 CO 0.08 -0.73 0.32 0.21 -0.05 0.00 0.00 175.22 175.06 1jxn s LYS 7 N -3.33 0.23 -0.29 1.99 2.20 -1.26 -1.30 119.74 117.98 1jxn s LYS 7 Ca -0.00 0.82 -0.10 0.00 -0.36 0.00 0.00 55.97 56.32 1jxn s LYS 7 Cb 0.00 0.07 -0.03 0.00 -1.51 0.00 0.00 37.83 36.36 1jxn s LYS 7 CO -0.09 -0.25 0.15 -0.06 -0.36 0.00 0.00 175.35 174.75 1jxn s PHE 8 N 2.25 3.17 0.14 4.03 0.08 0.62 -4.94 117.98 123.33 1jxn s PHE 8 Ca -0.02 -0.28 -0.07 0.00 0.12 0.00 0.00 56.93 56.68 1jxn s PHE 8 Cb -0.11 -2.35 -0.03 0.00 -0.57 0.00 0.00 43.02 39.96 1jxn s PHE 8 CO -0.10 -0.33 1.40 0.87 -0.10 0.00 0.00 175.22 176.96 1jxn h LYS 9 N 8.34 0.66 0.00 0.44 1.79 -1.88 -2.65 116.57 123.27 1jxn h LYS 9 Ca -0.35 -0.49 0.00 0.00 -2.18 0.00 0.00 60.65 57.64 1jxn h LYS 9 Cb 1.17 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1jxn h LYS 9 CO 0.59 1.11 0.00 0.27 -1.08 0.00 0.00 179.45 180.34 1jxn n ASN 10 N -3.93 0.00 -4.22 0.86 0.23 -1.26 -4.52 115.26 102.43 1jxn n ASN 10 Ca -0.05 -0.15 -0.13 0.00 -0.53 0.00 0.00 54.58 53.72 1jxn n ASN 10 Cb 0.69 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.29 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 -3.32 1.11 0.03 -2.53 0.40 -0.79 -4.93 117.98 107.96 1jxn s PHE 11 Ca 0.00 -0.97 0.07 0.00 -0.60 0.00 0.00 56.93 55.44 1jxn s PHE 11 Cb 0.00 -0.63 -0.02 0.00 0.51 0.00 0.00 43.02 42.88 1jxn s PHE 11 CO 0.00 -0.17 -0.21 -1.54 0.70 0.00 0.00 175.22 174.00 1jxn s SER 12 N -3.13 2.50 0.46 1.36 1.04 -1.26 -4.38 113.70 110.29 1jxn s SER 12 Ca 0.20 -0.50 0.15 0.00 0.48 0.00 0.00 55.95 56.28 1jxn s SER 12 Cb 0.06 -0.22 1.10 0.00 0.10 0.00 0.00 66.02 67.05 1jxn s SER 12 CO 0.01 0.18 2.03 1.56 0.98 0.00 0.00 173.24 178.00 1jxn h GLN 13 N 5.02 0.29 -0.35 4.02 4.20 -1.84 -2.03 115.11 124.41 1jxn h GLN 13 Ca -0.42 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.12 1jxn h GLN 13 Cb 1.15 -0.06 -0.09 0.00 0.30 0.00 0.00 27.48 28.78 1jxn h GLN 13 CO 0.45 0.19 -0.04 0.09 -0.67 0.00 0.00 178.83 178.85 1jxn n ASN 14 N -4.47 2.77 -4.50 1.46 4.13 -1.26 -4.91 115.26 108.48 1jxn n ASN 14 Ca 0.06 -3.62 -0.31 0.00 1.68 0.00 0.00 54.58 52.39 1jxn n ASN 14 Cb 0.29 -0.62 0.17 0.00 -1.54 0.00 0.00 39.78 38.08 1jxn n ASN 14 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jxn n GLY 15 N -1.02 -1.50 0.53 7.41 0.00 -0.77 -4.98 105.19 104.86 1jxn n GLY 15 Ca 0.32 -0.83 0.03 0.00 0.00 0.00 0.00 46.02 45.54 1jxn n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jxn n LYS 16 N -3.28 0.39 -0.90 1.61 4.81 -1.26 -4.85 118.16 114.67 1jxn n LYS 16 Ca 0.07 -1.63 0.05 0.00 -0.87 0.00 0.00 58.31 55.93 1jxn n LYS 16 Cb 0.54 -0.73 0.12 0.00 0.02 0.00 0.00 35.03 34.98 1jxn n LYS 16 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1jxn n ASP 17 N -0.34 1.37 -3.98 3.14 3.85 -1.26 -5.01 116.55 114.32 1jxn n ASP 17 Ca 0.06 -2.97 -0.16 0.00 -0.71 0.00 0.00 54.79 51.01 1jxn n ASP 17 Cb 0.74 -0.41 -0.14 0.00 -1.35 0.00 0.00 41.12 39.96 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 -1.73 2.04 -0.16 -2.12 1.43 -1.26 -1.39 118.68 115.49 1jxn s LEU 18 Ca 0.33 -0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.16 1jxn s LEU 18 Cb 0.34 -0.29 -0.05 0.00 0.03 0.00 0.00 46.19 46.22 1jxn s LEU 18 CO -0.10 0.05 0.23 -0.44 0.23 0.00 0.00 176.35 176.32 1jxn s SER 19 N -0.28 6.37 -0.07 2.29 0.01 0.42 -4.79 113.70 117.65 1jxn s SER 19 Ca 0.01 0.43 0.02 0.00 1.31 0.00 0.00 55.95 57.73 1jxn s SER 19 Cb -0.03 -2.14 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 1jxn s SER 19 CO -0.00 0.17 -0.13 -0.36 0.41 0.00 0.00 173.24 173.33 1jxn s PHE 20 N 0.19 2.76 0.03 2.43 0.40 -1.26 -2.25 117.98 120.27 1jxn s PHE 20 Ca 0.14 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.27 1jxn s PHE 20 Cb -0.12 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 1jxn s PHE 20 CO 0.02 0.14 -0.05 -0.65 0.70 0.00 0.00 175.22 175.38 1jxn s GLN 21 N -0.55 0.40 3.39 0.44 -0.21 -0.08 -5.00 119.66 118.05 1jxn s GLN 21 Ca 0.08 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 54.84 1jxn s GLN 21 Cb -0.12 -0.12 0.00 0.00 1.00 0.00 0.00 33.01 33.78 1jxn s GLN 21 CO 0.01 0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.60 1jxn n GLY 22 N 1.71 0.22 2.54 3.09 0.00 -1.26 -0.95 105.19 110.55 1jxn n GLY 22 Ca -0.22 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.93 6.96 -4.82 1.61 4.13 -0.53 -4.89 115.26 116.80 1jxn n ASN 23 Ca 0.00 -3.80 -0.31 0.00 1.68 0.00 0.00 54.58 52.15 1jxn n ASN 23 Cb 0.00 -0.88 -0.06 0.00 -1.54 0.00 0.00 39.78 37.30 1jxn n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jxn s ALA 24 N -3.87 3.69 0.00 5.41 0.00 -1.24 -3.39 121.76 122.36 1jxn s ALA 24 Ca 0.56 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1jxn s ALA 24 Cb 0.46 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 22.01 1jxn s ALA 24 CO -0.19 0.76 0.00 -1.13 0.00 0.00 0.00 175.76 175.21 1jxn n SER 25 N 0.53 0.00 -4.64 0.00 3.41 0.62 -4.73 113.62 108.81 1jxn n SER 25 Ca -0.08 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.11 1jxn n SER 25 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 1jxn n SER 25 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jxn s VAL 26 N -2.00 4.81 0.65 -3.33 1.01 -1.26 -0.70 120.40 119.58 1jxn s VAL 26 Ca 0.00 1.55 -0.02 0.00 0.00 0.00 0.00 61.98 63.51 1jxn s VAL 26 Cb 0.00 -4.14 0.06 0.00 0.00 0.00 0.00 36.38 32.31 1jxn s VAL 26 CO 0.00 -0.11 0.91 0.27 0.00 0.00 0.00 175.10 176.17 1jxn s ILE 27 N 2.90 2.42 0.56 2.22 -4.36 -0.87 -4.68 121.20 119.40 1jxn s ILE 27 Ca 0.35 -0.50 0.32 0.00 -0.26 0.00 0.00 60.65 60.56 1jxn s ILE 27 Cb -0.15 -2.92 0.46 0.00 1.25 0.00 0.00 42.46 41.10 1jxn s ILE 27 CO 0.08 0.00 1.82 -0.08 0.24 0.00 0.00 174.94 177.00 1jxn h GLU 28 N -0.32 0.00 0.00 0.37 4.81 -1.97 0.21 114.58 117.69 1jxn h GLU 28 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1jxn h GLU 28 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1jxn h GLU 28 CO 0.52 0.00 0.00 2.41 -0.73 0.00 0.00 179.01 181.21 1jxn n THR 29 N -3.96 0.04 -2.87 0.32 -1.04 -1.26 -4.82 114.28 100.69 1jxn n THR 29 Ca 0.17 0.01 -0.18 0.00 -2.04 0.00 0.00 64.05 62.01 1jxn n THR 29 Cb 0.99 -0.67 0.03 0.00 -1.82 0.00 0.00 70.33 68.86 1jxn n THR 29 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jxn n GLY 30 N 0.36 -0.28 3.42 3.41 0.00 0.74 -4.94 105.19 107.91 1jxn n GLY 30 Ca 0.15 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.05 2.63 -0.66 1.61 1.01 -1.25 -1.88 120.40 118.81 1jxn s VAL 31 Ca 0.24 -1.17 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 1jxn s VAL 31 Cb -0.11 -2.07 0.08 0.00 0.00 0.00 0.00 36.38 34.29 1jxn s VAL 31 CO 0.30 0.39 0.93 -0.22 0.00 0.00 0.00 175.10 176.51 1jxn s LEU 32 N -1.25 4.58 -0.52 3.92 2.96 0.06 -2.05 118.68 126.39 1jxn s LEU 32 Ca 0.13 -1.12 -0.28 0.00 -0.22 0.00 0.00 54.13 52.65 1jxn s LEU 32 Cb -0.10 -2.40 0.03 0.00 0.50 0.00 0.00 46.19 44.22 1jxn s LEU 32 CO 0.04 -1.37 1.13 -1.58 -1.32 0.00 0.00 176.35 173.24 1jxn s GLN 33 N 3.78 3.61 0.38 1.98 0.74 0.13 -0.88 119.66 129.39 1jxn s GLN 33 Ca 0.21 0.37 0.18 0.00 0.05 0.00 0.00 55.36 56.16 1jxn s GLN 33 Cb -0.17 -3.96 0.72 0.00 1.10 0.00 0.00 33.01 30.70 1jxn s GLN 33 CO 0.09 -1.48 1.77 -0.07 -0.55 0.00 0.00 175.29 175.04 1jxn h LEU 34 N 11.40 0.00 -7.00 3.68 3.38 -1.29 0.18 115.31 125.67 1jxn h LEU 34 Ca -0.24 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1jxn h LEU 34 Cb 1.06 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.66 1jxn h LEU 34 CO 1.14 0.38 0.24 0.54 0.09 0.00 0.00 178.44 180.82 1jxn s ASN 35 N -6.53 -0.58 0.48 -0.43 4.22 -1.25 -2.38 114.94 108.47 1jxn s ASN 35 Ca -0.01 0.29 0.05 0.00 -2.14 0.00 0.00 52.86 51.05 1jxn s ASN 35 Cb 0.12 0.55 0.08 0.00 1.28 0.00 0.00 41.25 43.28 1jxn s ASN 35 CO 0.69 -0.78 0.62 0.29 -2.04 0.00 0.00 177.10 175.88 1jxn n LYS 36 N 0.17 0.52 -4.22 3.55 5.02 -1.22 -4.28 118.16 117.71 1jxn n LYS 36 Ca -0.17 -2.13 -0.15 0.00 -2.02 0.00 0.00 58.31 53.84 1jxn n LYS 36 Cb 0.61 -0.27 -0.09 0.00 -0.02 0.00 0.00 35.03 35.27 1jxn n LYS 36 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1jxn s VAL 37 N -1.74 0.00 0.00 -0.18 -7.23 -1.26 -4.77 120.40 105.22 1jxn s VAL 37 Ca 0.45 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1jxn s VAL 37 Cb -0.03 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.41 1jxn s VAL 37 CO 0.29 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.69 1jxn n GLY 38 N -0.45 -1.51 3.95 2.32 0.00 -1.26 -5.00 105.19 103.24 1jxn n GLY 38 Ca 0.04 -2.08 -0.27 0.00 0.00 0.00 0.00 46.02 43.71 1jxn n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jxn s ASN 39 N -4.00 3.74 -1.71 1.61 0.02 -1.26 -4.16 114.94 109.18 1jxn s ASN 39 Ca 0.00 0.04 0.00 0.00 -1.02 0.00 0.00 52.86 51.88 1jxn s ASN 39 Cb 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 41.25 41.01 1jxn s ASN 39 CO 0.00 -2.30 0.00 -3.20 0.02 0.00 0.00 177.10 171.62 1jxn n ASN 40 N -3.33 -4.99 -4.45 -1.22 5.15 -1.26 -4.98 115.26 100.18 1jxn n ASN 40 Ca 0.14 0.40 -0.29 0.00 -0.60 0.00 0.00 54.58 54.23 1jxn n ASN 40 Cb 0.60 -3.91 -0.12 0.00 -0.53 0.00 0.00 39.78 35.82 1jxn n ASN 40 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1jxn s LEU 41 N -3.67 2.54 0.68 1.20 1.02 -1.26 -5.13 118.68 114.06 1jxn s LEU 41 Ca 0.00 -0.66 -0.12 0.00 0.02 0.00 0.00 54.13 53.37 1jxn s LEU 41 Cb 0.00 -1.39 0.00 0.00 0.02 0.00 0.00 46.19 44.82 1jxn s LEU 41 CO 0.00 0.17 1.06 -2.84 0.02 0.00 0.00 176.35 174.77 1jxn s PRO 42 N -2.16 2.96 0.16 1.29 0.02 -1.26 -4.95 135.00 131.06 1jxn s PRO 42 Ca 0.17 1.04 -0.17 0.00 0.02 0.00 0.00 61.00 62.07 1jxn s PRO 42 Cb -0.10 -1.99 0.09 0.00 0.02 0.00 0.00 34.50 32.51 1jxn s PRO 42 CO 0.09 -1.09 1.70 -0.44 -0.33 0.00 0.00 177.00 176.93 1jxn h ASP 43 N -0.46 -0.18 -3.64 2.53 3.45 -1.98 -3.31 116.42 112.82 1jxn h ASP 43 Ca -0.45 0.09 -0.68 0.00 0.43 0.00 0.00 57.03 56.43 1jxn h ASP 43 Cb 1.22 0.16 -0.18 0.00 -0.56 0.00 0.00 39.33 39.97 1jxn h ASP 43 CO 0.56 -0.05 -0.33 -1.61 -1.57 0.00 0.00 179.24 176.24 1jxn s GLU 44 N -6.19 3.43 0.02 3.56 2.02 -1.26 -0.71 118.70 119.57 1jxn s GLU 44 Ca -0.13 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 54.30 1jxn s GLU 44 Cb 0.13 -3.84 -0.02 0.00 0.10 0.00 0.00 34.13 30.50 1jxn s GLU 44 CO 0.71 -0.58 -0.04 -0.08 0.02 0.00 0.00 175.26 175.29 1jxn s THR 45 N 1.94 0.28 0.00 3.63 -1.32 -0.89 -4.67 115.64 114.62 1jxn s THR 45 Ca 0.10 -0.69 0.00 0.00 -1.21 0.00 0.00 61.69 59.89 1jxn s THR 45 Cb -0.17 -0.34 0.00 0.00 -1.51 0.00 0.00 72.50 70.47 1jxn s THR 45 CO 0.12 -0.27 0.00 0.61 -2.21 0.00 0.00 174.62 172.86 1jxn n GLY 46 N 2.04 1.08 3.54 6.08 0.00 -1.26 -0.81 105.19 115.85 1jxn n GLY 46 Ca -0.20 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.84 -0.51 -0.08 -0.02 0.00 0.16 -1.45 107.32 103.58 1jxn s GLY 47 Ca 0.00 1.52 0.02 0.00 0.00 0.00 0.00 44.72 46.27 1jxn s GLY 47 CO 0.00 1.03 -0.15 -0.42 0.00 0.00 0.00 173.10 173.56 1jxn s ILE 48 N -1.06 2.96 -0.18 0.90 1.01 -0.12 -0.81 121.20 123.89 1jxn s ILE 48 Ca -0.08 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 1jxn s ILE 48 Cb -0.00 -2.19 0.05 0.00 0.01 0.00 0.00 42.46 40.33 1jxn s ILE 48 CO 0.08 0.56 0.01 0.00 0.00 0.00 0.00 174.94 175.59 1jxn s ALA 49 N -0.24 1.15 0.18 9.38 0.00 0.45 -0.90 121.76 131.79 1jxn s ALA 49 Ca 0.01 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.30 1jxn s ALA 49 Cb -0.13 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1jxn s ALA 49 CO 0.03 -1.06 -0.14 -0.98 0.00 0.00 0.00 175.76 173.61 1jxn s ARG 50 N 1.78 1.26 0.50 0.00 1.70 -0.95 -0.28 118.95 122.95 1jxn s ARG 50 Ca -0.01 -1.51 -0.23 0.00 -0.47 0.00 0.00 55.73 53.51 1jxn s ARG 50 Cb -0.17 -1.06 -0.06 0.00 -0.57 0.00 0.00 34.95 33.09 1jxn s ARG 50 CO -0.07 0.18 1.34 -0.47 -1.08 0.00 0.00 175.30 175.20 1jxn s TYR 51 N -2.81 2.46 0.32 5.89 6.14 -0.75 -0.44 117.35 128.16 1jxn s TYR 51 Ca 0.19 1.37 0.07 0.00 0.64 0.00 0.00 57.07 59.35 1jxn s TYR 51 Cb -0.01 -3.76 0.54 0.00 0.42 0.00 0.00 41.96 39.15 1jxn s TYR 51 CO 0.06 -2.64 1.76 0.97 0.64 0.00 0.00 175.55 176.34 1jxn h ILE 52 N 1.81 1.27 -3.40 3.14 6.09 -1.54 -3.41 117.51 121.48 1jxn h ILE 52 Ca -0.51 -1.29 -0.60 0.00 -1.37 0.00 0.00 64.86 61.09 1jxn h ILE 52 Cb 1.28 1.52 -0.12 0.00 0.47 0.00 0.00 36.82 39.97 1jxn h ILE 52 CO 0.59 0.39 -0.36 0.00 -3.07 0.00 0.00 178.15 175.70 1jxn s ALA 53 N -4.34 3.60 0.17 0.18 0.00 -1.26 -4.96 121.76 115.15 1jxn s ALA 53 Ca -0.05 -0.60 -0.31 0.00 0.00 0.00 0.00 51.96 51.00 1jxn s ALA 53 Cb 0.14 -2.40 -0.09 0.00 0.00 0.00 0.00 23.12 20.77 1jxn s ALA 53 CO 0.76 -0.05 1.46 -2.14 0.00 0.00 0.00 175.76 175.80 1jxn s PRO 54 N 0.78 4.27 0.07 0.00 0.02 -1.26 -4.80 135.00 134.08 1jxn s PRO 54 Ca 0.14 2.24 -0.21 0.00 0.02 0.00 0.00 61.00 63.19 1jxn s PRO 54 Cb -0.13 -3.17 -0.07 0.00 0.02 0.00 0.00 34.50 31.15 1jxn s PRO 54 CO 0.04 -0.48 0.63 0.42 -0.33 0.00 0.00 177.00 177.28 1jxn s ILE 55 N 0.75 4.70 -0.93 2.83 1.09 0.12 -4.82 121.20 124.95 1jxn s ILE 55 Ca 0.65 1.35 -0.19 0.00 -1.10 0.00 0.00 60.65 61.36 1jxn s ILE 55 Cb -0.41 -3.97 0.13 0.00 -1.06 0.00 0.00 42.46 37.15 1jxn s ILE 55 CO 0.35 0.51 1.12 -2.28 -0.10 0.00 0.00 174.94 174.53 1jxn s HIS 56 N -0.84 3.11 0.18 3.97 2.46 -1.26 -1.04 115.29 121.88 1jxn s HIS 56 Ca 0.31 -1.38 -0.01 0.00 0.47 0.00 0.00 55.06 54.46 1jxn s HIS 56 Cb -0.20 -4.28 0.08 0.00 -0.13 0.00 0.00 32.58 28.05 1jxn s HIS 56 CO 0.20 -1.49 1.45 0.82 -2.47 0.00 0.00 174.74 173.25 1jxn h ILE 57 N 5.84 1.38 -2.55 0.89 1.08 -0.68 -3.45 117.51 120.02 1jxn h ILE 57 Ca 0.15 -2.13 -0.09 0.00 -0.39 0.00 0.00 64.86 62.39 1jxn h ILE 57 Cb 1.03 2.10 -0.21 0.00 -3.07 0.00 0.00 36.82 36.67 1jxn h ILE 57 CO 1.11 0.64 -0.09 -1.66 -0.69 0.00 0.00 178.15 177.46 1jxn s TRP 58 N -3.63 -0.46 -0.28 1.37 1.48 -1.11 -0.30 118.94 116.02 1jxn s TRP 58 Ca -0.05 0.92 -0.05 0.00 -1.06 0.00 0.00 56.10 55.86 1jxn s TRP 58 Cb 0.11 0.22 0.01 0.00 -1.16 0.00 0.00 33.47 32.65 1jxn s TRP 58 CO 0.83 -0.40 0.04 1.21 -4.06 0.00 0.00 176.95 174.57 1jxn s ASN 59 N -0.67 4.92 0.58 -2.66 3.84 0.48 -4.43 114.94 117.00 1jxn s ASN 59 Ca -0.08 -0.74 0.36 0.00 0.21 0.00 0.00 52.86 52.61 1jxn s ASN 59 Cb -0.03 -1.83 1.77 0.00 -0.55 0.00 0.00 41.25 40.61 1jxn s ASN 59 CO 0.04 -0.17 2.15 0.00 -2.79 0.00 0.00 177.10 176.33 1jxn h ASN 61 N 0.00 0.41 1.51 0.00 4.21 -1.95 -3.37 115.58 116.40 1jxn h ASN 61 Ca -0.00 -0.88 0.00 0.00 1.21 0.00 0.00 56.30 56.63 1jxn h ASN 61 Cb 0.28 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 1jxn h ASN 61 CO 0.00 1.75 -0.34 0.71 -1.29 0.00 0.00 177.43 178.26 1jxn h THR 62 N -0.13 0.00 0.00 2.81 1.35 -2.00 -3.47 112.91 111.47 1jxn h THR 62 Ca -0.37 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 1jxn h THR 62 Cb 1.90 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.99 1jxn h THR 62 CO 0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 1jxn n GLY 63 N 1.19 2.14 3.76 5.82 0.00 -0.40 -5.02 105.19 112.68 1jxn n GLY 63 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.39 3.67 -0.08 1.61 0.41 -1.17 -4.81 118.70 117.93 1jxn s GLU 64 Ca 0.00 2.12 0.04 0.00 -0.41 0.00 0.00 54.97 56.72 1jxn s GLU 64 Cb 0.00 -2.53 -0.00 0.00 -1.78 0.00 0.00 34.13 29.82 1jxn s GLU 64 CO 0.00 -0.73 -0.22 -1.17 -0.49 0.00 0.00 175.26 172.65 1jxn s LEU 65 N -2.89 2.01 0.51 1.80 2.96 -1.26 -0.38 118.68 121.42 1jxn s LEU 65 Ca 0.63 -0.50 -0.18 0.00 -0.22 0.00 0.00 54.13 53.86 1jxn s LEU 65 Cb -0.37 -1.29 -0.08 0.00 0.50 0.00 0.00 46.19 44.95 1jxn s LEU 65 CO 0.46 0.16 0.99 0.00 -1.32 0.00 0.00 176.35 176.64 1jxn s ALA 66 N 0.28 3.00 0.22 5.97 0.00 0.59 -4.82 121.76 127.00 1jxn s ALA 66 Ca -0.15 0.29 0.08 0.00 0.00 0.00 0.00 51.96 52.18 1jxn s ALA 66 Cb -0.16 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1jxn s ALA 66 CO 0.07 -0.25 0.06 -1.12 0.00 0.00 0.00 175.76 174.53 1jxn s SER 67 N -2.77 5.00 0.05 0.00 0.01 -0.22 -4.56 113.70 111.21 1jxn s SER 67 Ca 0.61 -0.39 -0.27 0.00 1.31 0.00 0.00 55.95 57.21 1jxn s SER 67 Cb -0.11 -1.12 0.08 0.00 0.21 0.00 0.00 66.02 65.08 1jxn s SER 67 CO 0.27 0.03 0.70 0.72 0.41 0.00 0.00 173.24 175.38 1jxn s PHE 68 N -1.99 -0.53 0.03 2.43 -0.71 -0.89 -1.96 117.98 114.37 1jxn s PHE 68 Ca 0.30 0.55 0.03 0.00 -1.04 0.00 0.00 56.93 56.78 1jxn s PHE 68 Cb -0.08 0.51 -0.02 0.00 -1.21 0.00 0.00 43.02 42.21 1jxn s PHE 68 CO 0.21 -0.69 -0.10 0.42 -1.34 0.00 0.00 175.22 173.72 1jxn s ILE 69 N -2.74 0.78 0.12 -4.49 1.01 -1.09 -0.41 121.20 114.38 1jxn s ILE 69 Ca -0.02 -0.90 -0.09 0.00 0.00 0.00 0.00 60.65 59.65 1jxn s ILE 69 Cb -0.01 -0.75 -0.00 0.00 0.01 0.00 0.00 42.46 41.71 1jxn s ILE 69 CO -0.05 -0.12 0.23 0.28 0.00 0.00 0.00 174.94 175.28 1jxn s THR 70 N -0.92 0.11 -0.00 2.92 -1.32 -0.65 -1.57 115.64 114.20 1jxn s THR 70 Ca -0.03 -1.27 -0.28 0.00 -1.21 0.00 0.00 61.69 58.90 1jxn s THR 70 Cb -0.08 -1.55 0.09 0.00 -1.51 0.00 0.00 72.50 69.45 1jxn s THR 70 CO 0.01 -0.50 0.80 -0.94 -2.21 0.00 0.00 174.62 171.78 1jxn s SER 71 N -2.91 -0.47 -0.22 8.08 1.04 -0.65 -1.22 113.70 117.35 1jxn s SER 71 Ca 0.10 0.20 -0.36 0.00 0.48 0.00 0.00 55.95 56.38 1jxn s SER 71 Cb 0.04 0.45 0.15 0.00 0.10 0.00 0.00 66.02 66.76 1jxn s SER 71 CO -0.06 -0.65 1.28 0.72 0.98 0.00 0.00 173.24 175.51 1jxn s PHE 72 N -2.54 -0.08 -0.03 5.02 -0.12 -0.81 -1.77 117.98 117.63 1jxn s PHE 72 Ca -0.00 0.05 0.07 0.00 -0.05 0.00 0.00 56.93 57.00 1jxn s PHE 72 Cb -0.01 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.88 1jxn s PHE 72 CO -0.05 -0.14 -0.25 -1.12 -0.05 0.00 0.00 175.22 173.61 1jxn s SER 73 N -2.16 3.04 0.15 1.98 0.01 -1.25 -0.52 113.70 114.94 1jxn s SER 73 Ca 0.11 -0.48 -0.01 0.00 1.31 0.00 0.00 55.95 56.87 1jxn s SER 73 Cb -0.01 -0.53 -0.04 0.00 0.21 0.00 0.00 66.02 65.65 1jxn s SER 73 CO -0.04 0.29 0.07 0.72 0.41 0.00 0.00 173.24 174.69 1jxn s PHE 74 N -0.43 0.94 0.21 2.43 -0.12 -1.15 0.34 117.98 120.19 1jxn s PHE 74 Ca 0.05 -1.27 -0.06 0.00 -0.05 0.00 0.00 56.93 55.60 1jxn s PHE 74 Cb -0.11 -0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 41.75 1jxn s PHE 74 CO 0.01 -0.54 0.27 -0.59 -0.05 0.00 0.00 175.22 174.32 1jxn s PHE 75 N -4.07 0.74 0.15 3.49 -0.71 -1.00 -2.07 117.98 114.51 1jxn s PHE 75 Ca 0.28 -1.04 0.07 0.00 -1.04 0.00 0.00 56.93 55.20 1jxn s PHE 75 Cb 0.07 -0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.63 1jxn s PHE 75 CO 0.04 -0.77 -0.15 -1.64 -1.34 0.00 0.00 175.22 171.36 1jxn s MET 76 N -4.07 1.17 -0.08 1.99 -1.94 -1.26 -2.92 119.30 112.18 1jxn s MET 76 Ca 0.29 -1.37 -0.04 0.00 -1.71 0.00 0.00 55.69 52.86 1jxn s MET 76 Cb 0.04 -1.08 0.05 0.00 2.01 0.00 0.00 34.83 35.85 1jxn s MET 76 CO 0.08 0.20 0.18 -1.21 -0.01 0.00 0.00 175.02 174.27 1jxn s GLU 77 N -2.94 0.10 -0.07 2.03 0.41 -1.03 -0.36 118.70 116.83 1jxn s GLU 77 Ca 0.14 0.50 -0.11 0.00 -0.41 0.00 0.00 54.97 55.09 1jxn s GLU 77 Cb -0.04 -0.18 0.02 0.00 -1.78 0.00 0.00 34.13 32.15 1jxn s GLU 77 CO 0.05 -0.22 0.28 -0.08 -0.49 0.00 0.00 175.26 174.79 1jxn s THR 78 N 1.68 0.03 -0.23 3.63 -1.32 -1.26 -0.32 115.64 117.85 1jxn s THR 78 Ca -0.04 -0.21 0.20 0.00 -1.21 0.00 0.00 61.69 60.42 1jxn s THR 78 Cb -0.12 -0.47 0.03 0.00 -1.51 0.00 0.00 72.50 70.44 1jxn s THR 78 CO -0.07 -0.12 1.15 0.28 -2.21 0.00 0.00 174.62 173.66 1jxn h SER 79 N 5.01 0.00 -4.28 8.08 0.02 -1.97 -3.47 113.55 116.95 1jxn h SER 79 Ca -0.28 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.17 1jxn h SER 79 Cb 1.19 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.79 1jxn h SER 79 CO 0.35 0.24 0.38 0.00 -1.14 0.00 0.00 176.83 176.67 1jxn s ALA 80 N -3.15 3.10 0.06 3.77 0.00 -1.26 -4.97 121.76 119.30 1jxn s ALA 80 Ca 0.01 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.47 1jxn s ALA 80 Cb 0.08 -3.00 -0.09 0.00 0.00 0.00 0.00 23.12 20.10 1jxn s ALA 80 CO 0.77 -0.74 1.94 1.21 0.00 0.00 0.00 175.76 178.94 1jxn s ASN 81 N -4.21 6.44 0.34 0.00 3.84 -1.26 -4.85 114.94 115.24 1jxn s ASN 81 Ca 0.55 2.70 0.18 0.00 0.21 0.00 0.00 52.86 56.49 1jxn s ASN 81 Cb -0.11 -2.54 1.20 0.00 -0.55 0.00 0.00 41.25 39.26 1jxn s ASN 81 CO 0.52 -1.05 1.49 -2.65 -2.79 0.00 0.00 177.10 172.63 1jxn n PRO 82 N 7.18 -0.06 0.29 0.43 -0.02 -1.26 -1.61 135.00 139.95 1jxn n PRO 82 Ca 0.20 1.32 -0.18 0.00 -2.02 0.00 0.00 63.50 62.81 1jxn n PRO 82 Cb 0.40 -2.33 -0.09 0.00 -0.02 0.00 0.00 33.50 31.46 1jxn n PRO 82 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1jxn h LYS 83 N 0.00 -0.94 -0.03 -0.52 1.57 -1.98 -2.65 116.57 112.02 1jxn h LYS 83 Ca 0.77 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.62 1jxn h LYS 83 Cb 2.01 0.21 0.00 0.00 0.08 0.00 0.00 32.23 34.53 1jxn h LYS 83 CO -0.75 -0.63 0.00 0.00 -0.57 0.00 0.00 179.45 177.51 1jxn n ALA 84 N -2.78 2.60 -2.33 3.86 0.00 -0.63 -4.87 120.51 116.36 1jxn n ALA 84 Ca -0.12 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 1jxn n ALA 84 Cb 0.45 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.96 3.50 0.32 0.00 0.00 -0.79 -4.71 121.76 118.13 1jxn s ALA 85 Ca 0.31 0.86 0.10 0.00 0.00 0.00 0.00 51.96 53.23 1jxn s ALA 85 Cb 0.15 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 1jxn s ALA 85 CO 0.24 -0.68 -0.09 0.95 0.00 0.00 0.00 175.76 176.18 1jxn s THR 86 N 1.72 2.44 0.00 0.00 -4.23 -0.90 -4.33 115.64 110.33 1jxn s THR 86 Ca 0.61 -2.19 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 1jxn s THR 86 Cb -0.30 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 70.93 1jxn s THR 86 CO 0.27 -0.26 0.00 0.47 -0.54 0.00 0.00 174.62 174.56 1jxn n ASP 87 N -0.79 3.60 0.00 3.99 9.92 -0.26 -3.87 116.55 129.13 1jxn n ASP 87 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 1jxn n ASP 87 Cb 0.62 0.67 0.00 0.00 -0.64 0.00 0.00 41.12 41.77 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 1.87 0.55 3.26 0.44 0.00 -1.14 -0.79 105.19 109.38 1jxn n GLY 88 Ca 0.00 -2.18 -0.10 0.00 0.00 0.00 0.00 46.02 43.74 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 1.22 0.04 0.99 -0.00 -1.16 -1.68 118.68 118.10 1jxn s LEU 89 Ca 0.00 -1.18 -0.16 0.00 -0.00 0.00 0.00 54.13 52.79 1jxn s LEU 89 Cb 0.00 0.67 0.03 0.00 -0.00 0.00 0.00 46.19 46.89 1jxn s LEU 89 CO 0.00 -0.85 0.37 0.28 -0.00 0.00 0.00 176.35 176.15 1jxn s THR 90 N -4.07 0.07 -0.20 5.48 -1.32 -1.04 -1.00 115.64 113.56 1jxn s THR 90 Ca 0.28 -0.54 -0.07 0.00 -1.21 0.00 0.00 61.69 60.15 1jxn s THR 90 Cb 0.06 -0.94 -0.03 0.00 -1.51 0.00 0.00 72.50 70.07 1jxn s THR 90 CO 0.06 -0.30 0.04 0.12 -2.21 0.00 0.00 174.62 172.33 1jxn s PHE 91 N -2.49 3.15 0.02 9.09 2.19 -1.09 -1.87 117.98 126.98 1jxn s PHE 91 Ca -0.05 -0.14 -0.04 0.00 0.33 0.00 0.00 56.93 57.02 1jxn s PHE 91 Cb -0.01 -2.10 -0.01 0.00 -1.31 0.00 0.00 43.02 39.59 1jxn s PHE 91 CO -0.03 -0.03 0.06 -0.59 1.83 0.00 0.00 175.22 176.46 1jxn s PHE 92 N 0.73 0.17 -0.13 10.12 -0.71 -0.48 -1.40 117.98 126.28 1jxn s PHE 92 Ca 0.02 -0.40 -0.02 0.00 -1.04 0.00 0.00 56.93 55.50 1jxn s PHE 92 Cb -0.14 -0.13 -0.02 0.00 -1.21 0.00 0.00 43.02 41.52 1jxn s PHE 92 CO 0.02 -0.28 -0.08 -0.51 -1.34 0.00 0.00 175.22 173.03 1jxn s LEU 93 N -1.66 2.99 0.12 -1.99 1.02 -0.14 -2.23 118.68 116.80 1jxn s LEU 93 Ca -0.12 -0.21 -0.25 0.00 0.02 0.00 0.00 54.13 53.57 1jxn s LEU 93 Cb -0.06 -1.69 0.07 0.00 0.02 0.00 0.00 46.19 44.53 1jxn s LEU 93 CO -0.01 0.19 0.73 0.00 0.02 0.00 0.00 176.35 177.27 1jxn s ALA 94 N 0.23 -1.63 0.12 4.21 0.00 -1.10 -1.31 121.76 122.29 1jxn s ALA 94 Ca -0.06 0.53 -0.35 0.00 0.00 0.00 0.00 51.96 52.09 1jxn s ALA 94 Cb -0.15 0.73 -0.16 0.00 0.00 0.00 0.00 23.12 23.54 1jxn s ALA 94 CO 0.04 -0.79 1.36 -0.35 0.00 0.00 0.00 175.76 176.02 1jxn n PRO 95 N -0.35 1.39 -0.34 0.00 -0.04 -1.24 -0.91 135.00 133.51 1jxn n PRO 95 Ca -0.12 0.50 0.04 0.00 -0.04 0.00 0.00 63.50 63.87 1jxn n PRO 95 Cb 0.63 -2.15 0.11 0.00 -0.04 0.00 0.00 33.50 32.05 1jxn n PRO 95 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1jxn h PRO 96 N 4.62 -0.01 -0.02 0.54 0.11 -1.84 -1.34 132.00 134.07 1jxn h PRO 96 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jxn h PRO 96 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1jxn h PRO 96 CO 0.79 -0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.17 1jxn n ASP 97 N -5.57 0.12 -4.74 -2.05 5.68 -1.26 -4.92 116.55 103.80 1jxn n ASP 97 Ca 0.14 -1.90 -0.41 0.00 -0.50 0.00 0.00 54.79 52.11 1jxn n ASP 97 Cb 0.46 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1jxn n ASP 97 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1jxn n SER 98 N -0.48 3.27 -4.90 -1.12 3.41 -0.51 -4.99 113.62 108.30 1jxn n SER 98 Ca 0.03 1.18 -0.28 0.00 -0.26 0.00 0.00 58.87 59.55 1jxn n SER 98 Cb 0.03 -1.57 0.03 0.00 -0.26 0.00 0.00 64.21 62.44 1jxn n SER 98 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1jxn s PRO 99 N -2.14 3.03 -0.14 4.33 0.04 -1.26 -5.00 135.00 133.86 1jxn s PRO 99 Ca 0.56 0.18 -0.29 0.00 0.04 0.00 0.00 61.00 61.49 1jxn s PRO 99 Cb -0.50 -2.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 1jxn s PRO 99 CO 0.61 -0.70 1.55 -1.17 0.04 0.00 0.00 177.00 177.33 1jxn s LEU 100 N -5.06 4.12 0.00 -3.56 2.96 -1.26 -4.94 118.68 110.95 1jxn s LEU 100 Ca 0.54 1.87 0.00 0.00 -0.22 0.00 0.00 54.13 56.32 1jxn s LEU 100 Cb -0.11 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.05 1jxn s LEU 100 CO 0.47 -1.02 0.00 0.54 -1.32 0.00 0.00 176.35 175.03 1jxn n ARG 101 N 7.22 2.32 -2.61 1.98 3.00 -0.22 -5.05 116.66 123.30 1jxn n ARG 101 Ca 0.17 0.00 -0.40 0.00 -0.01 0.00 0.00 57.85 57.61 1jxn n ARG 101 Cb 0.44 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.85 1jxn n ARG 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1jxn s ARG 102 N 1.34 4.74 0.00 5.56 3.52 -1.22 -4.61 118.95 128.28 1jxn s ARG 102 Ca 0.00 1.65 0.00 0.00 -0.13 0.00 0.00 55.73 57.25 1jxn s ARG 102 Cb 0.00 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 1jxn s ARG 102 CO 0.00 0.36 0.00 0.00 -0.81 0.00 0.00 175.30 174.85 1jxn n ALA 103 N 1.37 0.00 -0.30 6.12 0.00 -1.26 -0.28 120.51 126.16 1jxn n ALA 103 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1jxn n ALA 103 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 1.74 0.15 0.00 0.00 -1.25 -2.32 105.19 108.50 1jxn n GLY 104 Ca 0.00 -0.45 0.14 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.69 0.84 -0.02 0.00 -1.26 -3.30 105.19 100.76 1jxn n GLY 105 Ca 0.00 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.61 0.24 -0.17 1.61 4.02 -0.98 -4.97 117.16 116.30 1jxn n TYR 106 Ca 0.21 -0.12 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 1jxn n TYR 106 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 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 0.93 0.00 -0.00 -0.72 3.01 -1.21 -2.14 117.46 117.33 1jxn n PHE 107 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.63 1jxn n PHE 107 Cb 0.49 -0.97 0.00 0.00 -0.01 0.00 0.00 39.48 38.99 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 -0.99 0.19 0.13 1.37 0.00 0.61 -4.13 105.19 102.36 1jxn n GLY 108 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 2.57 -4.52 0.99 7.99 -0.91 -1.06 117.00 122.06 1jxn n LEU 109 Ca 0.00 0.12 -0.27 0.00 -0.01 0.00 0.00 56.01 55.85 1jxn n LEU 109 Cb 0.00 -0.96 -0.10 0.00 -0.11 0.00 0.00 43.42 42.25 1jxn n LEU 109 CO 0.00 0.77 -0.45 -0.36 -1.51 0.00 0.00 177.39 175.84 1jxn s PHE 110 N -2.51 2.52 -0.03 -1.77 0.08 -1.12 -4.77 117.98 110.37 1jxn s PHE 110 Ca -0.31 -0.27 0.12 0.00 0.12 0.00 0.00 56.93 56.59 1jxn s PHE 110 Cb 0.09 -1.23 -0.08 0.00 -0.57 0.00 0.00 43.02 41.23 1jxn s PHE 110 CO 0.63 0.52 1.29 -0.91 -0.10 0.00 0.00 175.22 176.64 1jxn h ASN 111 N 2.97 0.00 0.00 1.36 2.35 -1.89 -3.24 115.58 117.13 1jxn h ASN 111 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1jxn h ASN 111 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 1jxn h ASN 111 CO 0.52 0.74 0.00 -0.90 -1.65 0.00 0.00 177.43 176.15 1jxn n ASP 112 N -3.24 0.00 -0.02 5.81 3.85 -1.26 -4.86 116.55 116.83 1jxn n ASP 112 Ca -0.01 0.00 0.14 0.00 -0.71 0.00 0.00 54.79 54.22 1jxn n ASP 112 Cb 0.85 0.00 0.68 0.00 -1.35 0.00 0.00 41.12 41.29 1jxn n ASP 112 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1jxn n THR 113 N 0.00 0.00 -2.96 2.12 -2.24 -1.26 -4.41 114.28 105.53 1jxn n THR 113 Ca 0.00 -0.01 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 1jxn n THR 113 Cb 0.00 -0.38 -0.06 0.00 -2.10 0.00 0.00 70.33 67.78 1jxn n THR 113 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1jxn s LYS 114 N -2.66 4.32 0.16 -0.78 2.20 -1.26 -4.61 119.74 117.11 1jxn s LYS 114 Ca 0.25 1.03 -0.14 0.00 -0.36 0.00 0.00 55.97 56.75 1jxn s LYS 114 Cb 0.20 -2.68 -0.07 0.00 -1.51 0.00 0.00 37.83 33.77 1jxn s LYS 114 CO 0.49 0.26 0.56 0.00 -0.36 0.00 0.00 175.35 176.30 1jxn s ASP 116 N -1.77 -0.83 0.48 0.00 -1.08 -0.77 -5.02 116.67 107.67 1jxn s ASP 116 Ca 0.39 1.35 0.18 0.00 -0.52 0.00 0.00 52.55 53.94 1jxn s ASP 116 Cb -0.15 1.51 1.18 0.00 -1.46 0.00 0.00 42.92 44.01 1jxn s ASP 116 CO 0.19 -0.22 2.01 0.77 0.52 0.00 0.00 175.17 178.44 1jxn h SER 117 N 7.45 0.20 -0.88 -0.34 4.64 -1.97 -2.51 113.55 120.13 1jxn h SER 117 Ca -0.26 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.30 1jxn h SER 117 Cb 1.17 -0.04 -0.14 0.00 -0.31 0.00 0.00 62.40 63.08 1jxn h SER 117 CO 0.16 0.12 0.26 0.28 -0.87 0.00 0.00 176.83 176.78 1jxn h SER 118 N 0.22 0.05 -0.92 4.97 0.02 -1.95 -0.80 113.55 115.12 1jxn h SER 118 Ca 0.23 0.19 0.24 0.00 -0.84 0.00 0.00 61.79 61.61 1jxn h SER 118 Cb 0.61 0.25 -0.13 0.00 0.14 0.00 0.00 62.40 63.28 1jxn h SER 118 CO -0.04 -0.14 0.43 1.88 -1.14 0.00 0.00 176.83 177.82 1jxn h TYR 119 N 0.23 0.72 -6.74 3.45 0.05 -1.80 -3.45 116.97 109.43 1jxn h TYR 119 Ca 0.56 0.04 -0.55 0.00 0.05 0.00 0.00 58.73 58.83 1jxn h TYR 119 Cb 1.12 -0.17 -0.09 0.00 1.01 0.00 0.00 36.73 38.60 1jxn h TYR 119 CO -0.24 -0.05 -0.94 1.04 -1.05 0.00 0.00 178.16 176.91 1jxn n GLN 120 N -5.03 -1.89 -4.45 4.88 6.02 -0.31 -4.57 117.38 112.03 1jxn n GLN 120 Ca 0.24 0.25 -0.27 0.00 -0.01 0.00 0.00 57.00 57.21 1jxn n GLN 120 Cb 0.71 -3.91 -0.17 0.00 1.02 0.00 0.00 30.24 27.89 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 -4.02 1.35 -0.21 5.09 2.01 -1.26 -3.72 115.64 114.88 1jxn s THR 121 Ca 0.10 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.55 1jxn s THR 121 Cb -0.05 -1.25 0.03 0.00 0.01 0.00 0.00 72.50 71.25 1jxn s THR 121 CO 0.94 0.41 -0.16 -0.69 -0.69 0.00 0.00 174.62 174.43 1jxn s VAL 122 N 0.96 2.14 0.13 3.82 1.01 -0.43 -1.58 120.40 126.45 1jxn s VAL 122 Ca -0.08 -1.19 0.05 0.00 0.00 0.00 0.00 61.98 60.75 1jxn s VAL 122 Cb -0.15 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1jxn s VAL 122 CO -0.00 0.32 -0.11 0.00 0.00 0.00 0.00 175.10 175.31 1jxn s ALA 123 N 1.22 1.37 -0.38 5.51 0.00 -0.27 -0.97 121.76 128.24 1jxn s ALA 123 Ca -0.00 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 50.61 1jxn s ALA 123 Cb -0.16 0.02 0.11 0.00 0.00 0.00 0.00 23.12 23.09 1jxn s ALA 123 CO -0.10 -0.04 0.14 0.08 0.00 0.00 0.00 175.76 175.84 1jxn s VAL 124 N -2.84 1.73 0.44 0.00 1.01 -0.50 -0.65 120.40 119.59 1jxn s VAL 124 Ca 0.12 -2.29 -0.16 0.00 0.00 0.00 0.00 61.98 59.66 1jxn s VAL 124 Cb -0.00 -2.26 -0.08 0.00 0.00 0.00 0.00 36.38 34.03 1jxn s VAL 124 CO 0.01 -0.72 0.88 -1.83 0.00 0.00 0.00 175.10 173.44 1jxn s GLU 125 N 0.78 3.97 -0.61 2.72 -1.05 0.09 -2.68 118.70 121.93 1jxn s GLU 125 Ca 0.13 0.82 0.05 0.00 -0.15 0.00 0.00 54.97 55.82 1jxn s GLU 125 Cb -0.21 -2.26 0.19 0.00 -0.44 0.00 0.00 34.13 31.41 1jxn s GLU 125 CO -0.10 -0.09 0.50 1.19 0.95 0.00 0.00 175.26 177.71 1jxn n PHE 126 N -1.10 2.05 -2.30 4.83 3.01 -0.17 -1.36 117.46 122.41 1jxn n PHE 126 Ca 0.05 -4.00 -0.42 0.00 1.01 0.00 0.00 57.45 54.09 1jxn n PHE 126 Cb 0.54 -0.38 -0.03 0.00 -0.01 0.00 0.00 39.48 39.60 1jxn n PHE 126 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1jxn s ASP 127 N -1.23 6.91 -0.01 4.37 3.68 0.89 -2.96 116.67 128.32 1jxn s ASP 127 Ca 0.30 2.00 0.10 0.00 2.13 0.00 0.00 52.55 57.08 1jxn s ASP 127 Cb 0.02 -2.56 -0.23 0.00 -1.45 0.00 0.00 42.92 38.70 1jxn s ASP 127 CO -0.15 -0.69 0.79 0.71 0.13 0.00 0.00 175.17 175.96 1jxn h THR 128 N 5.00 1.03 -3.95 1.71 1.35 -1.23 -1.08 112.91 115.74 1jxn h THR 128 Ca -0.36 -2.84 -0.68 0.00 -0.55 0.00 0.00 66.41 61.97 1jxn h THR 128 Cb 1.17 2.53 -0.26 0.00 -1.73 0.00 0.00 68.15 69.85 1jxn h THR 128 CO 0.90 0.62 -0.81 -0.51 -0.25 0.00 0.00 175.52 175.47 1jxn s ILE 129 N -2.62 2.74 0.00 6.82 1.10 -1.26 -4.33 121.20 123.66 1jxn s ILE 129 Ca -0.04 -0.82 0.00 0.00 -0.51 0.00 0.00 60.65 59.27 1jxn s ILE 129 Cb 0.08 -2.06 0.00 0.00 0.15 0.00 0.00 42.46 40.63 1jxn s ILE 129 CO 0.82 0.57 0.00 0.61 -2.11 0.00 0.00 174.94 174.84 1jxn n GLY 130 N 2.70 5.72 3.77 1.50 0.00 -1.26 -4.74 105.19 112.88 1jxn n GLY 130 Ca -0.17 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.02 5.65 0.00 1.61 1.04 0.57 -1.22 113.70 121.32 1jxn s SER 131 Ca 0.00 2.21 0.23 0.00 0.48 0.00 0.00 55.95 58.87 1jxn s SER 131 Cb 0.00 -2.58 1.04 0.00 0.10 0.00 0.00 66.02 64.57 1jxn s SER 131 CO 0.00 -1.27 1.73 -0.81 0.98 0.00 0.00 173.24 173.87 1jxn n PRO 132 N -1.32 0.13 -0.31 4.02 -0.04 -1.26 -4.42 135.00 131.80 1jxn n PRO 132 Ca 0.12 0.10 0.03 0.00 -0.04 0.00 0.00 63.50 63.70 1jxn n PRO 132 Cb 0.51 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.63 1jxn n PRO 132 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1jxn h VAL 133 N 0.00 0.97 -3.55 0.52 2.07 -1.56 -3.34 116.25 111.36 1jxn h VAL 133 Ca 0.00 -0.31 -0.60 0.00 0.82 0.00 0.00 66.70 66.61 1jxn h VAL 133 Cb 0.32 -0.01 -0.39 0.00 -1.52 0.00 0.00 31.29 29.69 1jxn h VAL 133 CO 0.00 0.16 -0.78 0.20 0.02 0.00 0.00 177.57 177.18 1jxn s ASN 134 N -5.69 3.75 0.26 0.57 0.02 -0.46 -4.99 114.94 108.39 1jxn s ASN 134 Ca -0.12 -1.19 -0.04 0.00 -1.02 0.00 0.00 52.86 50.48 1jxn s ASN 134 Cb 0.19 -1.08 0.33 0.00 0.02 0.00 0.00 41.25 40.71 1jxn s ASN 134 CO 0.79 -0.27 1.91 2.19 0.02 0.00 0.00 177.10 181.74 1jxn h PHE 135 N 8.00 1.24 0.00 2.20 -0.00 -1.87 -1.81 116.94 124.70 1jxn h PHE 135 Ca -0.17 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 57.83 1jxn h PHE 135 Cb 1.07 -0.42 0.00 0.00 -0.00 0.00 0.00 35.95 36.61 1jxn h PHE 135 CO 0.45 0.72 0.00 -2.67 -0.00 0.00 0.00 178.31 176.82 1jxn n TRP 136 N -4.43 0.00 -3.72 6.09 2.14 -1.26 -4.80 117.44 111.46 1jxn n TRP 136 Ca 0.13 0.00 -0.22 0.00 2.07 0.00 0.00 57.50 59.49 1jxn n TRP 136 Cb 0.08 -0.43 -0.02 0.00 -0.81 0.00 0.00 31.31 30.14 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 -2.87 6.28 1.28 -0.67 1.11 -1.00 -4.79 116.67 116.01 1jxn s ASP 137 Ca 0.10 0.19 -0.20 0.00 0.18 0.00 0.00 52.55 52.82 1jxn s ASP 137 Cb 0.10 -1.88 0.31 0.00 1.07 0.00 0.00 42.92 42.52 1jxn s ASP 137 CO 0.27 -0.18 1.03 -2.84 1.18 0.00 0.00 175.17 174.62 1jxn s PRO 138 N -4.12 -1.82 -0.04 8.23 0.02 -1.26 -3.46 135.00 132.55 1jxn s PRO 138 Ca 0.37 0.14 0.00 0.00 0.02 0.00 0.00 61.00 61.53 1jxn s PRO 138 Cb -0.09 -1.51 0.06 0.00 0.02 0.00 0.00 34.50 32.98 1jxn s PRO 138 CO 0.32 -4.15 1.01 0.41 -0.33 0.00 0.00 177.00 174.26 1jxn n GLY 139 N 0.17 2.14 3.55 0.52 0.00 -1.26 -0.32 105.19 109.99 1jxn n GLY 139 Ca 0.11 -0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.43 -0.27 0.79 1.61 -0.71 -1.26 -4.81 117.98 112.90 1jxn s PHE 140 Ca 0.05 0.24 -0.14 0.00 -1.04 0.00 0.00 56.93 56.04 1jxn s PHE 140 Cb 0.04 0.51 0.05 0.00 -1.21 0.00 0.00 43.02 42.42 1jxn s PHE 140 CO 0.01 -0.39 1.06 -0.35 -1.34 0.00 0.00 175.22 174.21 1jxn n PRO 141 N -0.01 0.24 -3.82 1.99 -0.04 -1.26 -4.48 135.00 127.62 1jxn n PRO 141 Ca -0.06 0.15 -0.06 0.00 -0.04 0.00 0.00 63.50 63.49 1jxn n PRO 141 Cb 0.60 -2.31 -0.00 0.00 -0.04 0.00 0.00 33.50 31.74 1jxn n PRO 141 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1jxn s HIS 142 N -2.05 -0.05 -0.01 0.54 -3.43 -0.41 -0.51 115.29 109.37 1jxn s HIS 142 Ca 0.72 -0.42 0.07 0.00 -0.80 0.00 0.00 55.06 54.63 1jxn s HIS 142 Cb -0.30 0.73 -0.02 0.00 -1.43 0.00 0.00 32.58 31.55 1jxn s HIS 142 CO 0.52 -1.18 -0.23 0.96 -2.00 0.00 0.00 174.74 172.80 1jxn s ILE 143 N -3.05 2.30 0.15 -5.38 -4.36 -0.05 -0.08 121.20 110.73 1jxn s ILE 143 Ca 0.14 -1.10 -0.25 0.00 -0.26 0.00 0.00 60.65 59.19 1jxn s ILE 143 Cb -0.04 -1.85 0.06 0.00 1.25 0.00 0.00 42.46 41.89 1jxn s ILE 143 CO 0.07 0.53 0.84 -0.83 0.24 0.00 0.00 174.94 175.78 1jxn s GLY 144 N -0.80 -0.31 -0.26 6.27 0.00 -0.47 -0.19 107.32 111.56 1jxn s GLY 144 Ca 0.11 0.27 -0.15 0.00 0.00 0.00 0.00 44.72 44.95 1jxn s GLY 144 CO 0.00 0.07 0.38 -0.42 0.00 0.00 0.00 173.10 173.13 1jxn s ILE 145 N -3.47 5.18 -0.18 0.90 1.01 -1.11 -0.73 121.20 122.80 1jxn s ILE 145 Ca 0.09 0.59 -0.04 0.00 0.00 0.00 0.00 60.65 61.29 1jxn s ILE 145 Cb -0.02 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 1jxn s ILE 145 CO -0.01 0.17 -0.03 -1.81 0.00 0.00 0.00 174.94 173.25 1jxn s ASP 146 N 1.56 4.68 -0.40 3.58 -0.00 0.18 -0.87 116.67 125.40 1jxn s ASP 146 Ca 0.15 -0.21 0.04 0.00 -0.00 0.00 0.00 52.55 52.53 1jxn s ASP 146 Cb -0.16 -1.78 0.11 0.00 -0.00 0.00 0.00 42.92 41.09 1jxn s ASP 146 CO 0.10 0.10 0.12 -0.69 -0.00 0.00 0.00 175.17 174.80 1jxn s VAL 147 N 0.77 2.28 -1.64 -1.27 1.01 -1.26 -1.11 120.40 119.18 1jxn s VAL 147 Ca -0.01 -2.62 0.00 0.00 0.00 0.00 0.00 61.98 59.35 1jxn s VAL 147 Cb -0.14 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1jxn s VAL 147 CO 0.02 -0.68 0.00 0.59 0.00 0.00 0.00 175.10 175.03 1jxn n ASN 148 N 3.90 -5.15 -3.60 3.32 3.02 -0.62 -4.93 115.26 111.20 1jxn n ASN 148 Ca 0.04 0.15 -0.13 0.00 -0.03 0.00 0.00 54.58 54.61 1jxn n ASN 148 Cb 0.39 -4.22 -0.07 0.00 -0.61 0.00 0.00 39.78 35.27 1jxn n ASN 148 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jxn h VAL 150 N 3.48 1.21 -2.56 0.00 3.04 -1.82 -3.38 116.25 116.22 1jxn h VAL 150 Ca -0.27 -0.88 -0.57 0.00 -1.01 0.00 0.00 66.70 63.97 1jxn h VAL 150 Cb 1.16 1.03 -0.02 0.00 -2.01 0.00 0.00 31.29 31.45 1jxn h VAL 150 CO 0.17 0.30 1.28 -0.54 -1.01 0.00 0.00 177.57 177.76 1jxn s LYS 151 N -4.87 3.45 0.76 4.17 1.02 -1.26 -4.94 119.74 118.06 1jxn s LYS 151 Ca -0.07 1.66 -0.13 0.00 0.02 0.00 0.00 55.97 57.44 1jxn s LYS 151 Cb 0.15 -4.19 0.05 0.00 -0.52 0.00 0.00 37.83 33.33 1jxn s LYS 151 CO 0.77 -1.72 1.15 -1.12 -0.92 0.00 0.00 175.35 173.51 1jxn s SER 152 N 5.95 4.25 0.09 2.83 0.01 -1.26 -4.72 113.70 120.85 1jxn s SER 152 Ca 0.82 2.12 0.24 0.00 1.31 0.00 0.00 55.95 60.44 1jxn s SER 152 Cb -0.26 -2.56 0.25 0.00 0.21 0.00 0.00 66.02 63.66 1jxn s SER 152 CO 0.33 -2.21 1.22 2.30 0.41 0.00 0.00 173.24 175.29 1jxn n ILE 153 N -3.10 0.28 -3.66 1.44 -6.64 -0.05 -4.91 119.36 102.72 1jxn n ILE 153 Ca 0.11 -0.26 -0.14 0.00 -1.77 0.00 0.00 62.75 60.69 1jxn n ILE 153 Cb 0.52 -0.01 -0.07 0.00 -1.44 0.00 0.00 39.64 38.64 1jxn n ILE 153 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 1jxn s ASN 154 N -4.10 -0.35 0.20 7.28 3.84 -1.24 -5.02 114.94 115.55 1jxn s ASN 154 Ca 0.05 0.24 -0.11 0.00 0.21 0.00 0.00 52.86 53.25 1jxn s ASN 154 Cb 0.14 0.41 -0.00 0.00 -0.55 0.00 0.00 41.25 41.24 1jxn s ASN 154 CO 0.75 -0.55 0.38 0.00 -2.79 0.00 0.00 177.10 174.89 1jxn s ALA 155 N -1.60 -0.16 -0.17 1.71 0.00 -1.26 -2.75 121.76 117.53 1jxn s ALA 155 Ca -0.11 -0.83 -0.14 0.00 0.00 0.00 0.00 51.96 50.89 1jxn s ALA 155 Cb -0.03 0.97 0.05 0.00 0.00 0.00 0.00 23.12 24.11 1jxn s ALA 155 CO 0.04 -0.75 0.44 -2.00 0.00 0.00 0.00 175.76 173.49 1jxn s GLU 156 N -3.98 0.49 -0.36 0.00 2.56 0.74 -4.91 118.70 113.23 1jxn s GLU 156 Ca 0.19 0.66 -0.36 0.00 0.00 0.00 0.00 54.97 55.47 1jxn s GLU 156 Cb 0.01 0.18 -0.12 0.00 2.00 0.00 0.00 34.13 36.21 1jxn s GLU 156 CO 0.04 -0.09 2.19 -2.13 -0.56 0.00 0.00 175.26 174.71 1jxn n ARG 157 N 3.21 1.00 -3.91 4.30 0.00 -1.26 -0.87 116.66 119.13 1jxn n ARG 157 Ca -0.16 0.27 -0.35 0.00 -0.00 0.00 0.00 57.85 57.61 1jxn n ARG 157 Cb 0.57 -2.40 -0.14 0.00 0.00 0.00 0.00 32.46 30.49 1jxn n ARG 157 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 1jxn s TRP 158 N 7.24 3.17 -1.29 -0.14 -0.00 0.33 -4.88 118.94 123.36 1jxn s TRP 158 Ca 1.10 -1.63 -0.17 0.00 -0.00 0.00 0.00 56.10 55.40 1jxn s TRP 158 Cb -0.90 -2.11 0.08 0.00 -0.00 0.00 0.00 33.47 30.54 1jxn s TRP 158 CO 0.50 -0.75 1.72 0.09 -0.00 0.00 0.00 176.95 178.51 1jxn n ASN 159 N 4.67 4.95 -4.73 5.86 3.02 -1.26 -4.29 115.26 123.49 1jxn n ASN 159 Ca -0.15 -2.93 -0.42 0.00 -0.03 0.00 0.00 54.58 51.06 1jxn n ASN 159 Cb 0.45 -1.73 -0.02 0.00 -0.61 0.00 0.00 39.78 37.87 1jxn n ASN 159 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1jxn n LYS 160 N 8.06 2.70 -4.43 3.52 2.85 -1.26 -5.03 118.16 124.58 1jxn n LYS 160 Ca 0.48 0.97 -0.24 0.00 -1.05 0.00 0.00 58.31 58.46 1jxn n LYS 160 Cb 0.46 -2.78 -0.09 0.00 -0.65 0.00 0.00 35.03 31.96 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 0.39 1.89 0.05 -1.58 0.52 -1.26 -5.07 118.95 113.89 1jxn s ARG 161 Ca 0.70 -1.75 0.04 0.00 -0.52 0.00 0.00 55.73 54.20 1jxn s ARG 161 Cb -0.51 -1.85 -0.03 0.00 0.52 0.00 0.00 34.95 33.08 1jxn s ARG 161 CO 0.40 0.25 -0.11 0.71 0.02 0.00 0.00 175.30 176.57 1jxn s TYR 162 N -2.51 0.95 0.00 -0.53 1.51 -1.26 -4.66 117.35 110.85 1jxn s TYR 162 Ca 0.32 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 1jxn s TYR 162 Cb -0.02 -0.55 0.00 0.00 -0.11 0.00 0.00 41.96 41.28 1jxn s TYR 162 CO 0.17 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 175.01 1jxn n GLY 163 N 1.43 3.03 0.28 0.71 0.00 0.52 -4.66 105.19 106.49 1jxn n GLY 163 Ca -0.22 -1.90 -0.03 0.00 0.00 0.00 0.00 46.02 43.87 1jxn n GLY 163 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jxn h LEU 164 N 0.00 0.66 -0.63 0.99 3.38 -1.98 -2.68 115.31 115.04 1jxn h LEU 164 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1jxn h LEU 164 Cb 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1jxn h LEU 164 CO 0.00 0.75 0.00 -0.55 0.09 0.00 0.00 178.44 178.73 1jxn h ASN 165 N 0.64 0.00 -0.99 -0.43 -1.07 -1.97 -3.20 115.58 108.56 1jxn h ASN 165 Ca 0.13 0.00 -0.64 0.00 0.07 0.00 0.00 56.30 55.86 1jxn h ASN 165 Cb 0.44 0.00 -0.30 0.00 -2.07 0.00 0.00 38.32 36.39 1jxn h ASN 165 CO 0.02 0.00 0.80 0.59 0.07 0.00 0.00 177.43 178.91 1jxn n ASN 166 N -2.38 6.70 -4.71 6.14 4.13 -1.01 -4.90 115.26 119.24 1jxn n ASN 166 Ca 0.03 -3.75 -0.43 0.00 1.68 0.00 0.00 54.58 52.11 1jxn n ASN 166 Cb 0.29 -0.94 -0.03 0.00 -1.54 0.00 0.00 39.78 37.56 1jxn n ASN 166 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1jxn n VAL 167 N -0.97 0.12 -4.10 2.41 3.14 -1.21 -4.84 118.33 112.88 1jxn n VAL 167 Ca 0.62 -0.03 -0.35 0.00 -2.96 0.00 0.00 64.34 61.62 1jxn n VAL 167 Cb 0.91 -1.85 -0.11 0.00 -1.06 0.00 0.00 33.84 31.73 1jxn n VAL 167 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1jxn s ALA 168 N 0.95 3.21 -0.32 1.55 0.00 -0.88 -4.32 121.76 121.96 1jxn s ALA 168 Ca 0.75 -0.85 -0.20 0.00 0.00 0.00 0.00 51.96 51.66 1jxn s ALA 168 Cb -0.56 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 1jxn s ALA 168 CO 0.36 0.06 0.61 -0.80 0.00 0.00 0.00 175.76 175.99 1jxn s ASN 169 N 0.60 6.45 0.16 0.00 0.02 0.10 -2.94 114.94 119.33 1jxn s ASN 169 Ca 0.01 0.31 0.06 0.00 -1.02 0.00 0.00 52.86 52.23 1jxn s ASN 169 Cb -0.14 -2.32 -0.04 0.00 0.02 0.00 0.00 41.25 38.78 1jxn s ASN 169 CO 0.02 -0.49 0.05 -0.69 0.02 0.00 0.00 177.10 176.01 1jxn s VAL 170 N 2.58 4.07 -0.18 1.60 1.01 0.32 -1.36 120.40 128.44 1jxn s VAL 170 Ca 0.24 -1.22 -0.14 0.00 0.00 0.00 0.00 61.98 60.86 1jxn s VAL 170 Cb -0.15 -3.04 0.05 0.00 0.00 0.00 0.00 36.38 33.24 1jxn s VAL 170 CO 0.12 -0.07 0.46 -0.70 0.00 0.00 0.00 175.10 174.91 1jxn s GLU 171 N -2.90 0.50 -0.14 2.72 2.12 -0.99 -1.93 118.70 118.07 1jxn s GLU 171 Ca 0.29 0.75 -0.01 0.00 0.36 0.00 0.00 54.97 56.35 1jxn s GLU 171 Cb -0.10 0.14 0.04 0.00 0.26 0.00 0.00 34.13 34.48 1jxn s GLU 171 CO 0.20 -0.11 -0.01 0.42 -0.54 0.00 0.00 175.26 175.23 1jxn s ILE 172 N 0.79 0.71 -0.20 -3.70 1.01 -0.36 -0.73 121.20 118.73 1jxn s ILE 172 Ca -0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 1jxn s ILE 172 Cb -0.05 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 41.43 1jxn s ILE 172 CO -0.06 0.07 -0.05 -0.63 0.00 0.00 0.00 174.94 174.27 1jxn s ILE 173 N 1.81 3.44 -0.19 2.92 1.01 -0.46 -1.64 121.20 128.07 1jxn s ILE 173 Ca 0.02 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 1jxn s ILE 173 Cb -0.15 -2.54 -0.00 0.00 0.01 0.00 0.00 42.46 39.78 1jxn s ILE 173 CO -0.07 0.45 -0.10 -0.47 0.00 0.00 0.00 174.94 174.75 1jxn s TYR 174 N 1.11 2.89 -0.28 3.97 5.04 0.45 -1.10 117.35 129.43 1jxn s TYR 174 Ca 0.01 -1.06 -0.08 0.00 -2.44 0.00 0.00 57.07 53.51 1jxn s TYR 174 Cb -0.15 -2.02 -0.01 0.00 0.35 0.00 0.00 41.96 40.14 1jxn s TYR 174 CO -0.01 -0.55 0.09 -2.00 -1.34 0.00 0.00 175.55 171.74 1jxn s GLU 175 N 1.24 3.39 0.40 4.97 2.12 -0.67 -2.09 118.70 128.06 1jxn s GLU 175 Ca 0.03 -0.66 0.20 0.00 0.36 0.00 0.00 54.97 54.90 1jxn s GLU 175 Cb -0.14 -3.38 0.75 0.00 0.26 0.00 0.00 34.13 31.61 1jxn s GLU 175 CO -0.04 -0.32 1.76 0.00 -0.54 0.00 0.00 175.26 176.12 1jxn h ALA 176 N 8.26 1.00 -0.04 6.30 0.00 -1.87 -1.65 119.26 131.25 1jxn h ALA 176 Ca -0.35 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 1jxn h ALA 176 Cb 1.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1jxn h ALA 176 CO 0.60 0.40 -0.41 0.66 0.00 0.00 0.00 179.25 180.50 1jxn h SER 177 N 0.00 0.10 -0.04 0.00 4.64 -1.94 -3.22 113.55 113.08 1jxn h SER 177 Ca -0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1jxn h SER 177 Cb 0.85 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1jxn h SER 177 CO 0.04 0.50 0.00 -1.54 -0.87 0.00 0.00 176.83 174.96 1jxn n SER 178 N -4.04 1.95 0.00 4.97 3.41 -1.22 -4.98 113.62 113.72 1jxn n SER 178 Ca -0.02 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 1jxn n SER 178 Cb 0.46 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.26 -1.59 -2.89 4.33 5.02 -0.64 -4.91 118.16 117.21 1jxn n LYS 179 Ca 0.02 0.29 -0.41 0.00 -2.02 0.00 0.00 58.31 56.19 1jxn n LYS 179 Cb 0.23 -4.16 -0.04 0.00 -0.02 0.00 0.00 35.03 31.04 1jxn n LYS 179 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1jxn s THR 180 N -0.73 4.81 -0.13 -0.18 2.01 -1.11 -1.92 115.64 118.39 1jxn s THR 180 Ca 0.00 1.76 0.01 0.00 0.31 0.00 0.00 61.69 63.76 1jxn s THR 180 Cb 0.00 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 1jxn s THR 180 CO 0.00 0.28 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.84 1jxn s LEU 181 N 0.44 2.58 0.07 4.42 2.96 0.66 -1.66 118.68 128.15 1jxn s LEU 181 Ca 0.43 -0.38 0.08 0.00 -0.22 0.00 0.00 54.13 54.04 1jxn s LEU 181 Cb -0.20 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1jxn s LEU 181 CO 0.24 0.15 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.31 1jxn s THR 182 N 0.41 1.86 -0.09 3.68 2.01 -0.26 -1.78 115.64 121.47 1jxn s THR 182 Ca -0.12 -1.39 -0.04 0.00 0.31 0.00 0.00 61.69 60.46 1jxn s THR 182 Cb -0.16 -1.63 0.05 0.00 0.01 0.00 0.00 72.50 70.77 1jxn s THR 182 CO 0.06 0.17 0.19 0.00 -0.69 0.00 0.00 174.62 174.34 1jxn s ALA 183 N -0.91 -0.31 -0.07 7.40 0.00 -0.42 -1.35 121.76 126.10 1jxn s ALA 183 Ca 0.09 0.72 0.03 0.00 0.00 0.00 0.00 51.96 52.79 1jxn s ALA 183 Cb -0.09 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.30 1jxn s ALA 183 CO 0.03 -0.42 -0.14 -1.54 0.00 0.00 0.00 175.76 173.69 1jxn s SER 184 N 1.88 1.95 -0.15 0.00 1.04 0.09 -1.96 113.70 116.55 1jxn s SER 184 Ca -0.02 -0.33 -0.06 0.00 0.48 0.00 0.00 55.95 56.02 1jxn s SER 184 Cb -0.12 -0.87 -0.04 0.00 0.10 0.00 0.00 66.02 65.09 1jxn s SER 184 CO -0.07 0.06 0.06 -0.22 0.98 0.00 0.00 173.24 174.05 1jxn s LEU 185 N 0.57 3.84 -0.03 2.42 0.20 -1.20 -2.34 118.68 122.13 1jxn s LEU 185 Ca -0.14 0.15 0.01 0.00 0.69 0.00 0.00 54.13 54.84 1jxn s LEU 185 Cb -0.16 -1.94 0.02 0.00 -0.43 0.00 0.00 46.19 43.68 1jxn s LEU 185 CO 0.04 0.25 -0.04 -0.89 -0.29 0.00 0.00 176.35 175.42 1jxn s THR 186 N -0.10 0.45 -0.60 3.68 2.01 -0.46 -0.89 115.64 119.72 1jxn s THR 186 Ca 0.07 -0.11 -0.08 0.00 0.31 0.00 0.00 61.69 61.87 1jxn s THR 186 Cb -0.12 -0.47 0.15 0.00 0.01 0.00 0.00 72.50 72.08 1jxn s THR 186 CO 0.01 0.19 0.47 -0.31 -0.69 0.00 0.00 174.62 174.29 1jxn s TYR 187 N 0.67 3.50 -1.32 4.92 2.02 0.17 0.00 117.35 127.32 1jxn s TYR 187 Ca -0.08 -2.18 0.01 0.00 -0.37 0.00 0.00 57.07 54.44 1jxn s TYR 187 Cb -0.12 -3.47 0.03 0.00 -0.40 0.00 0.00 41.96 38.00 1jxn s TYR 187 CO -0.00 -0.95 0.86 -0.35 -1.57 0.00 0.00 175.55 173.54 1jxn n PRO 188 N 4.24 0.01 0.04 -1.71 -0.04 -1.26 -0.61 135.00 135.66 1jxn n PRO 188 Ca 0.02 0.33 -0.13 0.00 -0.04 0.00 0.00 63.50 63.69 1jxn n PRO 188 Cb 0.41 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.29 1jxn n PRO 188 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1jxn h SER 189 N 0.00 -0.03 -0.05 3.54 4.64 -1.90 -3.24 113.55 116.51 1jxn h SER 189 Ca 0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1jxn h SER 189 Cb 0.01 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1jxn h SER 189 CO 0.00 0.15 0.00 -0.90 -0.87 0.00 0.00 176.83 175.21 1jxn n ASP 190 N -5.03 2.53 -1.85 4.97 3.85 -1.16 -4.97 116.55 114.90 1jxn n ASP 190 Ca -0.08 -2.88 -0.09 0.00 -0.71 0.00 0.00 54.79 51.03 1jxn n ASP 190 Cb 0.12 -0.38 -0.02 0.00 -1.35 0.00 0.00 41.12 39.49 1jxn n ASP 190 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1jxn n GLN 191 N -1.11 -1.79 -2.09 0.11 6.02 0.22 -4.87 117.38 113.87 1jxn n GLN 191 Ca 0.14 0.50 -0.43 0.00 -0.01 0.00 0.00 57.00 57.21 1jxn n GLN 191 Cb 0.61 -4.87 -0.03 0.00 1.02 0.00 0.00 30.24 26.97 1jxn n GLN 191 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1jxn s THR 192 N -2.12 3.58 0.31 5.09 2.01 -0.35 -4.78 115.64 119.38 1jxn s THR 192 Ca 0.00 0.59 0.10 0.00 0.31 0.00 0.00 61.69 62.69 1jxn s THR 192 Cb 0.00 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 1jxn s THR 192 CO 0.00 -0.52 -0.08 -0.94 -0.69 0.00 0.00 174.62 172.39 1jxn s SER 193 N 5.55 3.95 0.35 3.53 1.04 -1.26 -0.65 113.70 126.20 1jxn s SER 193 Ca 0.75 -0.99 0.03 0.00 0.48 0.00 0.00 55.95 56.22 1jxn s SER 193 Cb -0.20 -0.47 -0.01 0.00 0.10 0.00 0.00 66.02 65.44 1jxn s SER 193 CO 0.33 -0.10 0.39 2.30 0.98 0.00 0.00 173.24 177.14 1jxn n ILE 194 N -0.80 0.00 -3.15 -1.02 -5.35 -0.07 -5.00 119.36 103.97 1jxn n ILE 194 Ca -0.05 -2.16 0.06 0.00 -0.27 0.00 0.00 62.75 60.33 1jxn n ILE 194 Cb 0.61 1.18 -0.02 0.00 -1.74 0.00 0.00 39.64 39.67 1jxn n ILE 194 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1jxn s SER 195 N -3.29 -0.04 0.25 7.28 1.04 -1.26 -3.26 113.70 114.42 1jxn s SER 195 Ca 0.35 0.03 -0.19 0.00 0.48 0.00 0.00 55.95 56.62 1jxn s SER 195 Cb 0.01 1.04 -0.08 0.00 0.10 0.00 0.00 66.02 67.08 1jxn s SER 195 CO 0.25 -0.01 0.74 0.54 0.98 0.00 0.00 173.24 175.74 1jxn s VAL 196 N 2.84 4.58 -0.01 5.02 0.11 -0.83 -4.90 120.40 127.21 1jxn s VAL 196 Ca -0.09 1.23 -0.24 0.00 -2.93 0.00 0.00 61.98 59.94 1jxn s VAL 196 Cb -0.07 -3.80 0.05 0.00 -1.53 0.00 0.00 36.38 31.03 1jxn s VAL 196 CO -0.08 0.11 0.53 -0.89 -3.33 0.00 0.00 175.10 171.44 1jxn s THR 197 N -1.64 0.02 0.00 5.04 2.01 -1.26 -1.30 115.64 118.51 1jxn s THR 197 Ca 0.46 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.26 1jxn s THR 197 Cb -0.15 -0.89 0.00 0.00 0.01 0.00 0.00 72.50 71.47 1jxn s THR 197 CO 0.20 -0.11 0.00 -1.54 -0.69 0.00 0.00 174.62 172.48 1jxn n SER 198 N 0.86 0.00 -4.77 3.53 3.41 -0.73 -5.01 113.62 110.90 1jxn n SER 198 Ca -0.19 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.06 1jxn n SER 198 Cb 0.58 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.45 1jxn n SER 198 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1jxn s ILE 199 N -2.00 5.05 0.00 -1.33 -5.25 -1.26 -0.25 121.20 116.17 1jxn s ILE 199 Ca 0.00 0.04 -0.01 0.00 -0.99 0.00 0.00 60.65 59.69 1jxn s ILE 199 Cb 0.00 -3.21 -0.01 0.00 2.95 0.00 0.00 42.46 42.20 1jxn s ILE 199 CO 0.00 0.57 0.02 0.54 -1.79 0.00 0.00 174.94 174.28 1jxn s VAL 200 N -0.60 0.05 -0.51 8.37 0.11 -0.81 -4.97 120.40 122.04 1jxn s VAL 200 Ca 0.12 -0.42 -0.12 0.00 -2.93 0.00 0.00 61.98 58.62 1jxn s VAL 200 Cb -0.12 -0.18 0.13 0.00 -1.53 0.00 0.00 36.38 34.68 1jxn s VAL 200 CO 0.02 -0.23 0.43 -0.62 -3.33 0.00 0.00 175.10 171.37 1jxn s ASP 201 N -0.70 5.94 0.42 3.54 -1.08 -1.26 -4.68 116.67 118.85 1jxn s ASP 201 Ca -0.08 -1.88 0.08 0.00 -0.52 0.00 0.00 52.55 50.15 1jxn s ASP 201 Cb -0.05 -2.11 0.91 0.00 -1.46 0.00 0.00 42.92 40.22 1jxn s ASP 201 CO -0.00 -0.77 2.07 -0.07 0.52 0.00 0.00 175.17 176.92 1jxn h LEU 202 N 8.63 0.42 -1.18 -1.34 3.38 -1.98 -2.83 115.31 120.40 1jxn h LEU 202 Ca -0.24 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 1jxn h LEU 202 Cb 1.08 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1jxn h LEU 202 CO 0.94 0.30 -0.40 0.50 0.09 0.00 0.00 178.44 179.87 1jxn h LYS 203 N 0.49 0.00 -0.01 1.13 3.11 -1.94 -1.32 116.57 118.03 1jxn h LYS 203 Ca 0.13 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.97 1jxn h LYS 203 Cb -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.17 1jxn h LYS 203 CO -0.03 0.40 -0.03 0.39 -2.81 0.00 0.00 179.45 177.37 1jxn n GLU 204 N -3.99 1.38 0.02 1.90 -0.58 -1.07 -4.46 120.64 113.84 1jxn n GLU 204 Ca -0.02 -0.67 0.00 0.00 -0.42 0.00 0.00 57.16 56.06 1jxn n GLU 204 Cb 0.44 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 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 -0.23 0.49 -3.64 -3.67 5.41 -1.13 -5.10 119.36 111.48 1jxn n ILE 205 Ca 0.19 0.16 -0.28 0.00 1.00 0.00 0.00 62.75 63.82 1jxn n ILE 205 Cb 0.30 -1.50 -0.03 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 -6.39 4.21 0.73 1.39 1.43 -0.51 -4.33 118.68 115.21 1jxn s LEU 206 Ca 0.00 0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 53.46 1jxn s LEU 206 Cb 0.00 -3.24 0.03 0.00 0.03 0.00 0.00 46.19 43.01 1jxn s LEU 206 CO 0.00 -0.05 1.08 -2.84 0.23 0.00 0.00 176.35 174.77 1jxn s PRO 207 N -3.23 2.62 0.48 1.29 0.02 -1.26 -4.71 135.00 130.21 1jxn s PRO 207 Ca 0.40 0.70 0.19 0.00 0.02 0.00 0.00 61.00 62.30 1jxn s PRO 207 Cb -0.11 -1.97 1.21 0.00 0.02 0.00 0.00 34.50 33.64 1jxn s PRO 207 CO 0.28 -1.26 2.00 0.93 -0.33 0.00 0.00 177.00 178.62 1jxn h GLU 208 N -0.82 0.19 -4.96 5.54 5.08 -1.95 -3.38 114.58 114.28 1jxn h GLU 208 Ca -0.45 -0.01 -0.67 0.00 -1.00 0.00 0.00 59.36 57.23 1jxn h GLU 208 Cb 1.24 -0.04 -0.32 0.00 0.50 0.00 0.00 28.75 30.13 1jxn h GLU 208 CO 0.60 0.13 -0.76 -1.58 -1.00 0.00 0.00 179.01 176.39 1jxn s TRP 209 N -5.21 2.98 0.37 4.33 0.52 -1.26 0.04 118.94 120.72 1jxn s TRP 209 Ca -0.06 -1.43 0.01 0.00 0.02 0.00 0.00 56.10 54.63 1jxn s TRP 209 Cb 0.20 -2.04 -0.00 0.00 -1.15 0.00 0.00 33.47 30.47 1jxn s TRP 209 CO 0.74 -0.70 0.04 1.33 0.02 0.00 0.00 176.95 178.37 1jxn n VAL 210 N 4.69 0.00 -4.49 4.03 0.24 -0.20 -4.30 118.33 118.30 1jxn n VAL 210 Ca -0.18 -1.86 -0.28 0.00 -2.04 0.00 0.00 64.34 59.99 1jxn n VAL 210 Cb 0.48 0.47 -0.17 0.00 -1.47 0.00 0.00 33.84 33.16 1jxn n VAL 210 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1jxn s SER 211 N -3.10 2.30 0.37 -1.34 1.04 -0.09 0.15 113.70 113.03 1jxn s SER 211 Ca 0.05 -0.40 -0.08 0.00 0.48 0.00 0.00 55.95 56.01 1jxn s SER 211 Cb 0.00 -1.03 -0.06 0.00 0.10 0.00 0.00 66.02 65.04 1jxn s SER 211 CO 0.04 0.02 0.69 0.68 0.98 0.00 0.00 173.24 175.65 1jxn s VAL 212 N 0.92 4.88 -3.79 5.02 -7.23 -1.26 -2.72 120.40 116.23 1jxn s VAL 212 Ca -0.08 0.37 0.00 0.00 -1.81 0.00 0.00 61.98 60.46 1jxn s VAL 212 Cb -0.15 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 33.04 1jxn s VAL 212 CO -0.00 -0.48 0.00 0.61 -0.31 0.00 0.00 175.10 174.92 1jxn n GLY 213 N -1.25 -0.59 3.06 2.32 0.00 -0.94 -1.81 105.19 105.98 1jxn n GLY 213 Ca 0.01 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.00 0.50 0.17 1.61 0.40 0.61 -1.38 117.98 116.90 1jxn s PHE 214 Ca 0.00 -0.83 0.06 0.00 -0.60 0.00 0.00 56.93 55.57 1jxn s PHE 214 Cb 0.00 -0.34 -0.04 0.00 0.51 0.00 0.00 43.02 43.14 1jxn s PHE 214 CO 0.00 -0.26 -0.13 -1.54 0.70 0.00 0.00 175.22 173.99 1jxn s SER 215 N -2.35 2.17 -0.07 1.36 1.04 -0.78 -0.41 113.70 114.66 1jxn s SER 215 Ca -0.01 -0.99 -0.05 0.00 0.48 0.00 0.00 55.95 55.37 1jxn s SER 215 Cb 0.00 -0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.07 1jxn s SER 215 CO -0.05 -0.24 0.17 -0.83 0.98 0.00 0.00 173.24 173.27 1jxn s GLY 216 N -3.16 -0.11 0.04 7.32 0.00 0.01 -2.48 107.32 108.94 1jxn s GLY 216 Ca 0.18 0.59 -0.06 0.00 0.00 0.00 0.00 44.72 45.44 1jxn s GLY 216 CO 0.04 0.66 0.10 -0.56 0.00 0.00 0.00 173.10 173.34 1jxn s SER 217 N 0.50 0.17 0.12 1.64 0.01 -0.67 -0.66 113.70 114.80 1jxn s SER 217 Ca -0.03 -0.54 -0.17 0.00 1.31 0.00 0.00 55.95 56.52 1jxn s SER 217 Cb -0.05 0.23 0.04 0.00 0.21 0.00 0.00 66.02 66.45 1jxn s SER 217 CO -0.02 -0.52 0.42 0.28 0.41 0.00 0.00 173.24 173.80 1jxn s THR 218 N -2.68 0.06 0.13 1.44 -1.32 0.01 -1.11 115.64 112.17 1jxn s THR 218 Ca -0.04 -0.51 0.08 0.00 -1.21 0.00 0.00 61.69 60.00 1jxn s THR 218 Cb -0.01 -1.13 -0.04 0.00 -1.51 0.00 0.00 72.50 69.81 1jxn s THR 218 CO -0.05 -0.28 -0.13 -0.47 -2.21 0.00 0.00 174.62 171.48 1jxn s TYR 219 N -3.63 2.65 0.42 9.09 6.04 -1.26 -2.09 117.35 128.56 1jxn s TYR 219 Ca 0.02 -0.21 -0.25 0.00 0.04 0.00 0.00 57.07 56.67 1jxn s TYR 219 Cb 0.01 -1.37 -0.10 0.00 -1.04 0.00 0.00 41.96 39.46 1jxn s TYR 219 CO -0.11 0.43 1.22 1.51 -1.54 0.00 0.00 175.55 177.07 1jxn n ILE 220 N 0.57 2.53 -0.88 3.14 3.06 0.11 -1.20 119.36 126.69 1jxn n ILE 220 Ca -0.13 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.62 1jxn n ILE 220 Cb 0.53 -1.48 0.00 0.00 0.54 0.00 0.00 39.64 39.23 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 0.89 0.25 0.00 4.50 0.00 -1.26 -4.60 105.19 104.97 1jxn n GLY 221 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.05 0.00 -1.63 1.61 1.74 -0.63 -4.95 116.66 111.74 1jxn n ARG 222 Ca 0.00 -0.45 -0.54 0.00 -0.77 0.00 0.00 57.85 56.10 1jxn n ARG 222 Cb 0.20 -0.45 -0.06 0.00 -1.02 0.00 0.00 32.46 31.12 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 0.00 1.21 -3.89 5.56 6.02 -0.34 -2.12 117.38 123.81 1jxn n GLN 223 Ca 0.00 0.44 -0.11 0.00 -0.01 0.00 0.00 57.00 57.32 1jxn n GLN 223 Cb 0.50 -2.10 -0.10 0.00 1.02 0.00 0.00 30.24 29.55 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 1.57 -0.24 0.15 -1.58 0.00 -1.25 -4.13 121.76 116.28 1jxn s ALA 224 Ca 0.89 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.61 1jxn s ALA 224 Cb -0.98 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1jxn s ALA 224 CO 0.53 -0.23 0.28 0.95 0.00 0.00 0.00 175.76 177.29 1jxn s THR 225 N -1.66 5.29 -0.03 0.00 -4.23 0.57 -4.69 115.64 110.89 1jxn s THR 225 Ca -0.13 -0.70 0.01 0.00 -1.18 0.00 0.00 61.69 59.69 1jxn s THR 225 Cb -0.06 -3.73 0.01 0.00 1.34 0.00 0.00 72.50 70.06 1jxn s THR 225 CO 0.00 -0.09 -0.04 -1.00 -0.54 0.00 0.00 174.62 172.95 1jxn s HIS 226 N -1.74 0.58 -0.18 3.99 3.76 -1.26 -2.47 115.29 117.97 1jxn s HIS 226 Ca 0.34 -0.13 -0.17 0.00 -0.15 0.00 0.00 55.06 54.96 1jxn s HIS 226 Cb -0.11 -0.50 0.05 0.00 1.11 0.00 0.00 32.58 33.13 1jxn s HIS 226 CO 0.28 -0.12 0.48 -1.83 -0.85 0.00 0.00 174.74 172.71 1jxn s GLU 227 N 0.58 0.56 -0.03 1.40 -1.05 -1.15 -0.92 118.70 118.09 1jxn s GLU 227 Ca -0.07 0.67 -0.14 0.00 -0.15 0.00 0.00 54.97 55.28 1jxn s GLU 227 Cb -0.10 0.28 -0.05 0.00 -0.44 0.00 0.00 34.13 33.81 1jxn s GLU 227 CO -0.00 -0.07 0.38 0.54 0.95 0.00 0.00 175.26 177.06 1jxn s VAL 228 N 0.25 5.11 -0.12 1.83 0.11 -0.06 -2.38 120.40 125.14 1jxn s VAL 228 Ca -0.00 0.76 0.02 0.00 -2.93 0.00 0.00 61.98 59.84 1jxn s VAL 228 Cb -0.03 -3.68 -0.24 0.00 -1.53 0.00 0.00 36.38 30.89 1jxn s VAL 228 CO 0.01 0.55 0.36 0.18 -3.33 0.00 0.00 175.10 172.87 1jxn n LEU 229 N 2.09 1.93 -3.87 2.54 4.77 0.15 -0.76 117.00 123.86 1jxn n LEU 229 Ca -0.14 0.21 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 1jxn n LEU 229 Cb 0.52 -0.57 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1jxn n LEU 229 CO 0.37 0.69 0.44 0.54 -1.33 0.00 0.00 177.39 178.11 1jxn s ASN 230 N -6.56 0.24 -0.28 -1.43 2.20 -1.25 -4.08 114.94 103.77 1jxn s ASN 230 Ca -0.17 -1.25 -0.23 0.00 -0.94 0.00 0.00 52.86 50.27 1jxn s ASN 230 Cb 0.07 0.81 0.13 0.00 -2.00 0.00 0.00 41.25 40.27 1jxn s ASN 230 CO 0.77 -1.61 1.04 0.86 -2.94 0.00 0.00 177.10 175.22 1jxn s TRP 231 N -2.43 -0.48 -0.03 1.54 -0.00 -1.00 -3.84 118.94 112.71 1jxn s TRP 231 Ca 0.19 1.10 0.01 0.00 -0.00 0.00 0.00 56.10 57.40 1jxn s TRP 231 Cb -0.04 0.37 0.01 0.00 -0.00 0.00 0.00 33.47 33.81 1jxn s TRP 231 CO 0.14 -0.23 -0.05 -0.47 -0.00 0.00 0.00 176.95 176.34 1jxn s TYR 232 N 0.50 0.64 0.03 5.86 5.04 -0.73 -0.27 117.35 128.41 1jxn s TYR 232 Ca 0.00 -0.15 -0.03 0.00 -2.44 0.00 0.00 57.07 54.46 1jxn s TYR 232 Cb -0.05 -0.53 -0.02 0.00 0.35 0.00 0.00 41.96 41.71 1jxn s TYR 232 CO -0.09 -0.12 0.03 0.12 -1.34 0.00 0.00 175.55 174.15 1jxn s PHE 233 N 0.55 0.27 -0.30 4.97 5.36 -0.42 -1.64 117.98 126.78 1jxn s PHE 233 Ca -0.07 -0.58 -0.03 0.00 -0.96 0.00 0.00 56.93 55.29 1jxn s PHE 233 Cb -0.10 -0.20 0.18 0.00 -0.34 0.00 0.00 43.02 42.56 1jxn s PHE 233 CO -0.00 -0.29 0.67 -0.08 -1.46 0.00 0.00 175.22 174.06 1jxn s THR 234 N -2.26 -0.91 0.26 0.12 -1.32 -0.61 -1.74 115.64 109.18 1jxn s THR 234 Ca -0.08 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.43 1jxn s THR 234 Cb -0.04 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.92 1jxn s THR 234 CO -0.03 0.00 0.40 -0.44 -2.21 0.00 0.00 174.62 172.34 1jxn s SER 235 N 2.87 6.32 -0.25 8.08 0.01 0.30 -2.68 113.70 128.35 1jxn s SER 235 Ca 0.16 0.20 -0.32 0.00 1.31 0.00 0.00 55.95 57.30 1jxn s SER 235 Cb -0.14 -1.92 0.17 0.00 0.21 0.00 0.00 66.02 64.34 1jxn s SER 235 CO -0.20 -0.12 1.27 0.28 0.41 0.00 0.00 173.24 174.89 1jxn s THR 236 N -2.04 0.00 -0.04 1.44 -1.32 -0.83 -1.80 115.64 111.05 1jxn s THR 236 Ca 0.36 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.95 1jxn s THR 236 Cb -0.09 -1.00 -0.16 0.00 -1.51 0.00 0.00 72.50 69.73 1jxn s THR 236 CO 0.31 0.00 0.19 0.49 -2.21 0.00 0.00 174.62 173.39 1jxn n PHE 237 N 0.36 0.00 -2.22 9.09 3.72 -1.21 -1.06 117.46 126.15 1jxn n PHE 237 Ca -0.01 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.01 1jxn n PHE 237 Cb 0.58 -0.33 -0.03 0.00 -0.94 0.00 0.00 39.48 38.76 1jxn n PHE 237 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1jxn s ILE 238 N -2.63 3.50 0.00 4.37 -1.09 -1.26 -4.46 121.20 119.63 1jxn s ILE 238 Ca -0.04 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 1jxn s ILE 238 Cb 0.06 -4.29 0.00 0.00 -1.58 0.00 0.00 42.46 36.65 1jxn s ILE 238 CO 0.46 -1.24 0.00 0.59 -1.23 0.00 0.00 174.94 173.51 1jxn n ASN 239 N 11.71 0.00 0.00 3.58 5.03 -1.26 -5.14 115.26 129.17 1jxn n ASN 239 Ca 0.18 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.63 1jxn n ASN 239 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.27 1jxn n ASN 239 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84