#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkx s ASN 2 N 0.00 6.60 -0.12 6.12 0.01 -1.26 -1.48 114.94 124.81 1jkx s ASN 2 Ca 0.00 0.72 -0.01 0.00 -0.71 0.00 0.00 52.86 52.86 1jkx s ASN 2 Cb 0.00 -2.30 -0.02 0.00 0.41 0.00 0.00 41.25 39.33 1jkx s ASN 2 CO 0.00 -0.18 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.70 1jkx s ILE 3 N 1.60 3.52 -0.14 0.60 1.01 0.14 -0.17 121.20 127.76 1jkx s ILE 3 Ca 0.25 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.42 1jkx s ILE 3 Cb -0.15 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.84 1jkx s ILE 3 CO 0.10 0.53 -0.22 -0.69 0.00 0.00 0.00 174.94 174.67 1jkx s VAL 4 N 0.01 2.08 -0.12 2.92 1.01 -0.91 -0.19 120.40 125.21 1jkx s VAL 4 Ca -0.02 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 1jkx s VAL 4 Cb -0.14 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1jkx s VAL 4 CO 0.03 0.55 -0.05 -0.69 0.00 0.00 0.00 175.10 174.95 1jkx s VAL 5 N 0.80 3.84 -0.13 2.92 1.01 -0.83 -0.31 120.40 127.71 1jkx s VAL 5 Ca -0.07 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1jkx s VAL 5 Cb -0.16 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 1jkx s VAL 5 CO -0.02 0.54 -0.05 -0.76 0.00 0.00 0.00 175.10 174.82 1jkx s LEU 6 N -0.20 3.21 0.26 3.92 1.43 0.44 -0.77 118.68 126.98 1jkx s LEU 6 Ca 0.03 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 1jkx s LEU 6 Cb -0.13 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1jkx s LEU 6 CO 0.02 0.21 0.14 0.27 0.23 0.00 0.00 176.35 177.23 1jkx s ILE 7 N 0.08 0.27 0.00 -0.59 -4.36 0.60 -0.92 121.20 116.29 1jkx s ILE 7 Ca -0.01 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.38 1jkx s ILE 7 Cb -0.14 -2.54 0.00 0.00 1.25 0.00 0.00 42.46 41.03 1jkx s ILE 7 CO 0.03 0.00 0.00 -1.20 0.24 0.00 0.00 174.94 174.01 1jkx n SER 8 N -0.64 0.58 0.00 4.36 7.64 -1.07 -3.32 113.62 121.17 1jkx n SER 8 Ca 0.01 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1jkx n SER 8 Cb 0.65 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 1jkx n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jkx n GLY 9 N 0.34 4.83 0.30 0.23 0.00 -1.26 -4.53 105.19 105.10 1jkx n GLY 9 Ca 0.00 -0.67 0.10 0.00 0.00 0.00 0.00 46.02 45.45 1jkx n GLY 9 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1jkx h ASN 10 N 0.00 0.07 0.00 1.61 -0.73 -1.93 0.18 115.58 114.78 1jkx h ASN 10 Ca 0.00 0.17 0.00 0.00 1.87 0.00 0.00 56.30 58.34 1jkx h ASN 10 Cb 0.00 0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.80 1jkx h ASN 10 CO 0.00 -0.08 0.00 0.61 -0.37 0.00 0.00 177.43 177.59 1jkx n GLY 11 N -1.36 0.44 0.29 1.57 0.00 -1.26 -2.40 105.19 102.47 1jkx n GLY 11 Ca 0.19 -0.98 -0.02 0.00 0.00 0.00 0.00 46.02 45.21 1jkx n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jkx h SER 12 N 0.00 0.68 -0.31 1.61 4.64 -1.93 -0.22 113.55 118.02 1jkx h SER 12 Ca 0.00 -0.13 -0.14 0.00 -0.47 0.00 0.00 61.79 61.06 1jkx h SER 12 Cb 0.09 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1jkx h SER 12 CO 0.00 0.70 -0.31 0.78 -0.87 0.00 0.00 176.83 177.13 1jkx h ASN 13 N 0.70 0.86 -0.61 4.97 2.35 -1.92 -1.47 115.58 120.47 1jkx h ASN 13 Ca 0.15 -0.36 0.03 0.00 -0.55 0.00 0.00 56.30 55.58 1jkx h ASN 13 Cb 0.31 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 1jkx h ASN 13 CO 0.00 1.10 0.36 0.25 -1.65 0.00 0.00 177.43 177.50 1jkx h LEU 14 N 0.70 0.57 -0.40 1.61 5.85 -1.72 -1.66 115.31 120.26 1jkx h LEU 14 Ca 0.08 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1jkx h LEU 14 Cb 0.86 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1jkx h LEU 14 CO 0.08 0.39 0.24 -0.61 -0.34 0.00 0.00 178.44 178.20 1jkx h GLN 15 N 0.70 0.55 -0.76 1.25 5.75 -0.60 0.52 115.11 122.52 1jkx h GLN 15 Ca 0.25 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.75 1jkx h GLN 15 Cb 0.06 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.45 1jkx h GLN 15 CO -0.12 0.41 0.50 0.00 -2.65 0.00 0.00 178.83 176.97 1jkx h ALA 16 N 1.10 1.62 -0.10 3.38 0.00 -0.81 0.16 119.26 124.61 1jkx h ALA 16 Ca 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1jkx h ALA 16 Cb 0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1jkx h ALA 16 CO -0.03 0.28 -0.10 0.82 0.00 0.00 0.00 179.25 180.22 1jkx h ILE 17 N 0.86 1.36 -0.54 0.00 2.04 -0.67 -1.57 117.51 118.99 1jkx h ILE 17 Ca 0.32 -1.26 0.06 0.00 1.00 0.00 0.00 64.86 64.97 1jkx h ILE 17 Cb 0.17 1.98 -0.05 0.00 -0.74 0.00 0.00 36.82 38.18 1jkx h ILE 17 CO -0.10 0.36 0.26 0.40 0.00 0.00 0.00 178.15 179.06 1jkx h ILE 18 N -0.17 0.92 -0.69 -0.67 2.04 -0.32 -1.15 117.51 117.46 1jkx h ILE 18 Ca 0.02 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1jkx h ILE 18 Cb 0.62 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1jkx h ILE 18 CO 0.02 0.09 0.43 0.44 0.00 0.00 0.00 178.15 179.14 1jkx h ASP 19 N 0.49 0.82 0.58 1.72 3.32 -0.64 -1.72 116.42 120.99 1jkx h ASP 19 Ca 0.25 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 1jkx h ASP 19 Cb 0.19 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1jkx h ASP 19 CO -0.19 0.62 -0.33 0.00 -1.72 0.00 0.00 179.24 177.63 1jkx h ALA 20 N 1.23 1.18 -0.14 3.45 0.00 -0.72 -2.42 119.26 121.84 1jkx h ALA 20 Ca 0.25 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 1jkx h ALA 20 Cb -0.06 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1jkx h ALA 20 CO -0.05 0.41 -0.75 0.00 0.00 0.00 0.00 179.25 178.85 1jkx h LYS 22 N 0.47 1.20 -0.00 0.00 1.63 -0.88 -1.55 116.57 117.43 1jkx h LYS 22 Ca -0.04 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1jkx h LYS 22 Cb 1.36 -0.27 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 1jkx h LYS 22 CO 0.15 0.79 -0.05 0.25 -3.45 0.00 0.00 179.45 177.14 1jkx n THR 23 N -4.45 0.00 -1.32 1.00 -2.24 -0.95 -4.90 114.28 101.42 1jkx n THR 23 Ca 0.10 -0.06 -0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1jkx n THR 23 Cb 0.01 -0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.00 1jkx n THR 23 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jkx n ASN 24 N -0.86 -4.49 -0.04 3.42 5.15 -0.58 -4.86 115.26 112.99 1jkx n ASN 24 Ca 0.18 0.28 -0.07 0.00 -0.60 0.00 0.00 54.58 54.36 1jkx n ASN 24 Cb 0.23 -2.98 0.11 0.00 -0.53 0.00 0.00 39.78 36.62 1jkx n ASN 24 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1jkx h LYS 25 N 0.04 0.64 -4.96 1.20 1.57 -1.11 -3.35 116.57 110.60 1jkx h LYS 25 Ca -0.23 -0.29 -0.64 0.00 -1.87 0.00 0.00 60.65 57.62 1jkx h LYS 25 Cb 0.78 -0.02 -0.19 0.00 0.08 0.00 0.00 32.23 32.88 1jkx h LYS 25 CO 0.33 0.87 -0.56 0.42 -0.57 0.00 0.00 179.45 179.94 1jkx s ILE 26 N -4.42 4.88 -1.38 1.86 1.01 -0.45 -4.79 121.20 117.91 1jkx s ILE 26 Ca -0.08 0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.48 1jkx s ILE 26 Cb 0.13 -3.30 0.09 0.00 0.01 0.00 0.00 42.46 39.39 1jkx s ILE 26 CO 0.82 0.31 2.13 0.29 0.00 0.00 0.00 174.94 178.49 1jkx n LYS 27 N 4.85 3.37 -2.40 2.79 5.02 -1.26 -4.34 118.16 126.19 1jkx n LYS 27 Ca -0.15 -3.04 -0.00 0.00 -2.02 0.00 0.00 58.31 53.09 1jkx n LYS 27 Cb 0.52 -3.05 0.01 0.00 -0.02 0.00 0.00 35.03 32.48 1jkx n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jkx n GLY 28 N 3.33 0.89 3.01 0.72 0.00 -1.26 -4.39 105.19 107.48 1jkx n GLY 28 Ca 0.49 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 1jkx n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jkx s THR 29 N -2.31 0.02 -0.44 2.61 2.01 -0.55 -4.70 115.64 112.29 1jkx s THR 29 Ca 0.09 -0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.66 1jkx s THR 29 Cb -0.01 -0.21 0.03 0.00 0.01 0.00 0.00 72.50 72.31 1jkx s THR 29 CO 0.01 -0.08 1.11 -0.69 -0.69 0.00 0.00 174.62 174.28 1jkx s VAL 30 N -0.21 4.30 -0.01 3.82 1.01 -1.26 -0.68 120.40 127.36 1jkx s VAL 30 Ca -0.03 1.32 0.12 0.00 0.00 0.00 0.00 61.98 63.39 1jkx s VAL 30 Cb -0.02 -4.55 -0.21 0.00 0.00 0.00 0.00 36.38 31.60 1jkx s VAL 30 CO 0.00 -0.87 0.86 0.03 0.00 0.00 0.00 175.10 175.13 1jkx h ARG 31 N 8.93 0.00 -2.70 2.72 2.47 -0.94 -3.47 114.38 121.39 1jkx h ARG 31 Ca -0.22 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.46 1jkx h ARG 31 Cb 1.06 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.23 1jkx h ARG 31 CO 1.10 0.60 0.16 0.00 0.56 0.00 0.00 179.97 182.39 1jkx s ALA 32 N -2.67 -1.56 -0.08 0.04 0.00 -1.24 -4.01 121.76 112.24 1jkx s ALA 32 Ca -0.03 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.67 1jkx s ALA 32 Cb 0.09 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.75 1jkx s ALA 32 CO 0.82 -0.60 -0.13 0.08 0.00 0.00 0.00 175.76 175.93 1jkx s VAL 33 N -2.79 1.24 -0.01 0.00 1.01 -0.43 -1.96 120.40 117.46 1jkx s VAL 33 Ca -0.03 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.47 1jkx s VAL 33 Cb -0.01 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1jkx s VAL 33 CO -0.04 0.38 -0.15 -0.36 0.00 0.00 0.00 175.10 174.93 1jkx s PHE 34 N 0.80 2.67 0.02 5.22 0.40 0.05 -1.41 117.98 125.73 1jkx s PHE 34 Ca -0.12 -0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 1jkx s PHE 34 Cb -0.15 -1.57 -0.02 0.00 0.51 0.00 0.00 43.02 41.79 1jkx s PHE 34 CO 0.02 0.22 -0.03 0.45 0.70 0.00 0.00 175.22 176.58 1jkx s SER 35 N -1.04 0.32 0.00 1.36 0.15 -0.44 -0.29 113.70 113.75 1jkx s SER 35 Ca 0.13 -0.44 0.23 0.00 0.70 0.00 0.00 55.95 56.57 1jkx s SER 35 Cb -0.11 0.08 0.51 0.00 -1.71 0.00 0.00 66.02 64.79 1jkx s SER 35 CO 0.03 -0.24 1.45 -0.46 1.20 0.00 0.00 173.24 175.22 1jkx n ASN 36 N 1.77 3.54 -3.80 5.45 2.04 -1.21 -1.36 115.26 121.69 1jkx n ASN 36 Ca -0.22 -1.99 -0.23 0.00 -0.44 0.00 0.00 54.58 51.70 1jkx n ASN 36 Cb 0.56 -0.32 -0.17 0.00 -2.53 0.00 0.00 39.78 37.31 1jkx n ASN 36 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1jkx s LYS 37 N -1.35 0.75 0.52 -3.83 -0.14 -1.26 -4.57 119.74 109.86 1jkx s LYS 37 Ca 0.42 0.04 0.28 0.00 -1.36 0.00 0.00 55.97 55.35 1jkx s LYS 37 Cb 0.23 -1.04 1.45 0.00 -1.68 0.00 0.00 37.83 36.79 1jkx s LYS 37 CO 0.32 -0.28 2.07 0.00 -0.76 0.00 0.00 175.35 176.69 1jkx h ALA 38 N 8.22 1.25 -0.01 5.17 0.00 -1.94 -2.83 119.26 129.11 1jkx h ALA 38 Ca -0.22 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1jkx h ALA 38 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1jkx h ALA 38 CO 0.30 0.14 -0.09 -0.40 0.00 0.00 0.00 179.25 179.20 1jkx n ASP 39 N -3.59 1.14 -4.68 0.00 5.75 -1.26 -4.94 116.55 108.98 1jkx n ASP 39 Ca -0.02 -1.17 -0.47 0.00 -0.01 0.00 0.00 54.79 53.13 1jkx n ASP 39 Cb 0.24 0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.33 1jkx n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jkx n ALA 40 N -0.29 1.23 0.26 2.12 0.00 -1.07 -4.84 120.51 117.91 1jkx n ALA 40 Ca 0.17 0.36 0.10 0.00 0.00 0.00 0.00 53.44 54.07 1jkx n ALA 40 Cb 0.33 -2.44 0.68 0.00 0.00 0.00 0.00 19.45 18.02 1jkx n ALA 40 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1jkx h PHE 41 N 7.64 0.00 -0.37 0.00 3.57 -1.74 -1.82 116.94 124.22 1jkx h PHE 41 Ca -0.47 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.14 1jkx h PHE 41 Cb 1.26 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 1jkx h PHE 41 CO 0.75 0.11 0.29 0.78 -2.23 0.00 0.00 178.31 178.02 1jkx h GLY 42 N 0.55 0.00 1.68 2.40 0.00 -0.59 0.29 103.07 107.40 1jkx h GLY 42 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1jkx h GLY 42 CO 0.01 0.00 -0.34 1.41 0.00 0.00 0.00 176.54 177.62 1jkx h LEU 43 N 0.00 0.37 -0.33 3.11 3.38 -1.58 -1.79 115.31 118.47 1jkx h LEU 43 Ca 0.17 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1jkx h LEU 43 Cb 0.75 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1jkx h LEU 43 CO -0.00 0.69 -0.32 -0.33 0.09 0.00 0.00 178.44 178.57 1jkx h GLU 44 N 0.31 0.80 -0.80 1.13 4.39 -0.56 -0.62 114.58 119.23 1jkx h GLU 44 Ca 0.04 -0.42 0.05 0.00 0.34 0.00 0.00 59.36 59.37 1jkx h GLU 44 Cb 0.75 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.36 1jkx h GLU 44 CO 0.06 1.05 0.49 0.00 -1.16 0.00 0.00 179.01 179.45 1jkx h ARG 45 N 0.58 0.90 -0.16 2.33 3.08 -1.14 -0.21 114.38 119.76 1jkx h ARG 45 Ca 0.05 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1jkx h ARG 45 Cb 0.90 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1jkx h ARG 45 CO 0.08 0.59 -0.02 0.00 -1.07 0.00 0.00 179.97 179.56 1jkx h ALA 46 N 1.36 0.22 -0.91 0.04 0.00 -1.10 -2.40 119.26 116.47 1jkx h ALA 46 Ca 0.34 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1jkx h ALA 46 Cb 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1jkx h ALA 46 CO -0.15 -0.06 0.60 0.00 0.00 0.00 0.00 179.25 179.64 1jkx h ARG 47 N 0.02 1.15 0.00 0.00 3.08 -0.75 -0.07 114.38 117.80 1jkx h ARG 47 Ca 0.04 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1jkx h ARG 47 Cb 0.42 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1jkx h ARG 47 CO 0.01 0.76 -0.23 1.96 -1.07 0.00 0.00 179.97 181.41 1jkx h GLN 48 N 1.18 0.00 -0.03 0.04 4.20 -0.97 -1.27 115.11 118.27 1jkx h GLN 48 Ca 0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.06 1jkx h GLN 48 Cb -0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1jkx h GLN 48 CO -0.10 0.23 0.00 0.00 -0.67 0.00 0.00 178.83 178.29 1jkx n ALA 49 N -2.46 2.60 -1.83 3.87 0.00 -0.45 -4.91 120.51 117.34 1jkx n ALA 49 Ca -0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 53.44 52.98 1jkx n ALA 49 Cb 0.29 -1.26 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 1jkx n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jkx n GLY 50 N 1.11 0.35 3.77 0.00 0.00 -0.48 -5.02 105.19 104.92 1jkx n GLY 50 Ca 0.20 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 1jkx n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jkx s ILE 51 N -2.31 5.41 0.27 -0.61 1.01 -0.17 -5.01 121.20 119.80 1jkx s ILE 51 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.60 1jkx s ILE 51 Cb 0.00 -3.48 -0.13 0.00 0.01 0.00 0.00 42.46 38.86 1jkx s ILE 51 CO 0.00 0.48 1.39 0.00 0.00 0.00 0.00 174.94 176.81 1jkx n ALA 52 N 3.14 1.29 -2.48 9.38 0.00 -1.26 -4.14 120.51 126.45 1jkx n ALA 52 Ca -0.16 0.39 -0.26 0.00 0.00 0.00 0.00 53.44 53.41 1jkx n ALA 52 Cb 0.53 -2.28 -0.13 0.00 0.00 0.00 0.00 19.45 17.56 1jkx n ALA 52 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jkx s THR 53 N -0.36 1.78 -0.01 0.00 -4.23 -1.26 -1.31 115.64 110.26 1jkx s THR 53 Ca 0.64 -1.39 -0.01 0.00 -1.18 0.00 0.00 61.69 59.75 1jkx s THR 53 Cb -0.61 -1.58 0.01 0.00 1.34 0.00 0.00 72.50 71.66 1jkx s THR 53 CO 0.53 0.12 0.02 -1.00 -0.54 0.00 0.00 174.62 173.75 1jkx s HIS 54 N -0.95 -0.01 -0.07 3.99 3.76 -0.50 -4.97 115.29 116.53 1jkx s HIS 54 Ca 0.08 0.07 0.03 0.00 -0.15 0.00 0.00 55.06 55.10 1jkx s HIS 54 Cb -0.09 -0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.56 1jkx s HIS 54 CO 0.03 -0.03 -0.18 0.99 -0.85 0.00 0.00 174.74 174.70 1jkx s THR 55 N 0.24 1.57 -0.25 1.30 2.01 -1.26 -1.33 115.64 117.91 1jkx s THR 55 Ca -0.02 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.26 1jkx s THR 55 Cb -0.03 -1.38 0.06 0.00 0.01 0.00 0.00 72.50 71.16 1jkx s THR 55 CO -0.01 0.45 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.52 1jkx s LEU 56 N 0.41 3.19 -0.09 4.42 1.02 -0.47 -4.98 118.68 122.18 1jkx s LEU 56 Ca -0.14 -1.34 -0.19 0.00 0.02 0.00 0.00 54.13 52.48 1jkx s LEU 56 Cb -0.16 -1.44 -0.04 0.00 0.02 0.00 0.00 46.19 44.57 1jkx s LEU 56 CO 0.05 -0.21 0.51 -0.63 0.02 0.00 0.00 176.35 176.10 1jkx s ILE 57 N 1.19 5.12 0.29 -0.59 -1.09 -1.26 -4.25 121.20 120.60 1jkx s ILE 57 Ca -0.08 1.04 0.03 0.00 -2.23 0.00 0.00 60.65 59.41 1jkx s ILE 57 Cb -0.20 -3.85 0.28 0.00 -1.58 0.00 0.00 42.46 37.12 1jkx s ILE 57 CO -0.05 0.35 1.79 0.00 -1.23 0.00 0.00 174.94 175.80 1jkx h ALA 58 N 6.41 1.55 0.00 9.38 0.00 -1.94 -1.63 119.26 133.03 1jkx h ALA 58 Ca -0.42 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1jkx h ALA 58 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1jkx h ALA 58 CO 0.74 0.03 0.00 0.66 0.00 0.00 0.00 179.25 180.68 1jkx h SER 59 N 0.82 0.00 -0.03 0.00 4.64 -1.98 -1.59 113.55 115.41 1jkx h SER 59 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 1jkx h SER 59 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1jkx h SER 59 CO -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.62 1jkx n ALA 60 N -1.91 2.62 -2.61 5.18 0.00 -0.61 -4.82 120.51 118.36 1jkx n ALA 60 Ca -0.01 -0.29 -0.18 0.00 0.00 0.00 0.00 53.44 52.96 1jkx n ALA 60 Cb 0.12 -1.32 -0.12 0.00 0.00 0.00 0.00 19.45 18.14 1jkx n ALA 60 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1jkx s PHE 61 N -1.97 1.29 -1.02 0.00 0.08 -0.60 -5.06 117.98 110.71 1jkx s PHE 61 Ca 0.39 -0.50 0.15 0.00 0.12 0.00 0.00 56.93 57.09 1jkx s PHE 61 Cb 0.19 -0.71 0.49 0.00 -0.57 0.00 0.00 43.02 42.42 1jkx s PHE 61 CO 0.31 0.09 1.41 -0.25 -0.10 0.00 0.00 175.22 176.68 1jkx n ASP 62 N 0.97 3.66 -3.56 1.36 8.00 -1.26 -4.99 116.55 120.73 1jkx n ASP 62 Ca -0.19 -2.26 -0.10 0.00 0.71 0.00 0.00 54.79 52.95 1jkx n ASP 62 Cb 0.55 -0.40 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 1jkx n ASP 62 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1jkx s SER 63 N -1.13 -0.36 0.36 -2.24 1.04 -1.26 -5.00 113.70 105.11 1jkx s SER 63 Ca 0.37 0.30 0.07 0.00 0.48 0.00 0.00 55.95 57.17 1jkx s SER 63 Cb 0.22 0.31 0.70 0.00 0.10 0.00 0.00 66.02 67.36 1jkx s SER 63 CO 0.19 -0.40 1.89 0.03 0.98 0.00 0.00 173.24 175.94 1jkx h ARG 64 N 2.41 0.34 -0.35 4.02 3.08 -1.99 -2.26 114.38 119.64 1jkx h ARG 64 Ca -0.19 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 1jkx h ARG 64 Cb 1.18 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 1jkx h ARG 64 CO 0.31 0.45 0.16 0.93 -1.07 0.00 0.00 179.97 180.75 1jkx h GLU 65 N 0.33 0.52 -0.72 0.04 3.07 -1.99 -1.23 114.58 114.59 1jkx h GLU 65 Ca 0.07 -0.08 -0.06 0.00 -0.50 0.00 0.00 59.36 58.78 1jkx h GLU 65 Cb 0.38 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 1jkx h GLU 65 CO 0.02 0.48 0.20 0.00 -1.40 0.00 0.00 179.01 178.31 1jkx h ALA 66 N 1.01 0.99 0.02 3.43 0.00 -1.87 -0.08 119.26 122.76 1jkx h ALA 66 Ca 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1jkx h ALA 66 Cb 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1jkx h ALA 66 CO -0.01 0.67 -0.01 -0.92 0.00 0.00 0.00 179.25 178.97 1jkx h TYR 67 N 1.09 -0.02 0.00 0.00 5.03 -1.22 -2.27 116.97 119.57 1jkx h TYR 67 Ca 0.23 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.46 1jkx h TYR 67 Cb 0.34 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.61 1jkx h TYR 67 CO 0.03 0.11 -0.37 -0.44 -1.32 0.00 0.00 178.16 176.16 1jkx h ASP 68 N -0.15 0.00 -0.50 -2.11 5.19 -1.07 -0.69 116.42 117.08 1jkx h ASP 68 Ca -0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 1jkx h ASP 68 Cb 0.14 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 1jkx h ASP 68 CO 0.00 0.37 0.19 -0.09 -3.12 0.00 0.00 179.24 176.59 1jkx h ARG 69 N 0.00 0.76 -0.36 3.56 2.43 -0.80 0.15 114.38 120.13 1jkx h ARG 69 Ca -0.00 -0.15 -0.15 0.00 -0.81 0.00 0.00 59.98 58.87 1jkx h ARG 69 Cb 0.67 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1jkx h ARG 69 CO 0.05 0.69 -0.36 1.49 -1.51 0.00 0.00 179.97 180.33 1jkx h GLU 70 N 0.68 0.88 -0.49 0.20 4.57 -1.11 -1.54 114.58 117.77 1jkx h GLU 70 Ca 0.17 -0.47 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1jkx h GLU 70 Cb 0.22 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1jkx h GLU 70 CO -0.01 1.11 0.32 1.25 -1.18 0.00 0.00 179.01 180.50 1jkx h LEU 71 N 0.68 0.57 -0.33 1.64 5.85 -0.89 -0.59 115.31 122.24 1jkx h LEU 71 Ca 0.06 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1jkx h LEU 71 Cb 0.95 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1jkx h LEU 71 CO 0.09 0.41 0.13 0.40 -0.34 0.00 0.00 178.44 179.13 1jkx h ILE 72 N 0.66 1.19 -0.68 4.05 2.04 -0.91 -0.05 117.51 123.81 1jkx h ILE 72 Ca 0.18 -0.59 0.06 0.00 1.00 0.00 0.00 64.86 65.51 1jkx h ILE 72 Cb -0.07 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 1jkx h ILE 72 CO -0.04 0.21 0.39 -0.74 0.00 0.00 0.00 178.15 177.96 1jkx h HIS 73 N 0.39 0.71 -0.03 1.37 2.76 -0.91 -0.90 115.15 118.54 1jkx h HIS 73 Ca 0.11 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 58.14 1jkx h HIS 73 Cb 0.20 -0.22 0.01 0.00 1.55 0.00 0.00 27.41 28.96 1jkx h HIS 73 CO -0.00 0.34 -0.65 0.93 -1.30 0.00 0.00 177.93 177.25 1jkx h GLU 74 N 0.71 0.48 -0.67 5.26 4.39 -0.96 -3.26 114.58 120.53 1jkx h GLU 74 Ca 0.30 -0.49 0.02 0.00 0.34 0.00 0.00 59.36 59.54 1jkx h GLU 74 Cb 0.18 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 1jkx h GLU 74 CO -0.18 1.13 0.44 0.82 -1.16 0.00 0.00 179.01 180.05 1jkx h ILE 75 N 0.03 1.14 0.00 3.13 2.04 -0.87 -2.42 117.51 120.56 1jkx h ILE 75 Ca -0.07 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1jkx h ILE 75 Cb 1.33 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1jkx h ILE 75 CO 0.13 0.16 0.00 0.44 0.00 0.00 0.00 178.15 178.88 1jkx h ASP 76 N 0.88 0.00 0.57 1.72 5.19 -1.23 -1.00 116.42 122.55 1jkx h ASP 76 Ca 0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1jkx h ASP 76 Cb -0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.45 1jkx h ASP 76 CO -0.07 0.00 0.00 0.24 -3.12 0.00 0.00 179.24 176.29 1jkx h MET 77 N 0.00 0.00 -0.06 3.56 2.86 -1.47 -1.51 114.93 118.31 1jkx h MET 77 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1jkx h MET 77 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1jkx h MET 77 CO 0.00 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.63 1jkx n TYR 78 N -2.90 0.04 -3.87 -0.22 4.01 -0.38 -4.99 117.16 108.86 1jkx n TYR 78 Ca -0.01 -0.02 -0.38 0.00 -0.16 0.00 0.00 57.90 57.33 1jkx n TYR 78 Cb 0.20 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.26 1jkx n TYR 78 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jkx n ALA 79 N 1.19 -2.60 -1.77 -0.72 0.00 -0.57 -4.87 120.51 111.17 1jkx n ALA 79 Ca 0.15 -0.41 -0.40 0.00 0.00 0.00 0.00 53.44 52.79 1jkx n ALA 79 Cb 0.56 -3.16 -0.00 0.00 0.00 0.00 0.00 19.45 16.86 1jkx n ALA 79 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jkx s PRO 80 N -6.55 4.00 0.04 0.00 0.04 -1.26 -4.68 135.00 126.59 1jkx s PRO 80 Ca 0.45 2.31 0.22 0.00 0.04 0.00 0.00 61.00 64.02 1jkx s PRO 80 Cb -0.21 -2.83 -0.22 0.00 0.04 0.00 0.00 34.50 31.28 1jkx s PRO 80 CO 0.92 -0.52 0.68 -0.25 0.04 0.00 0.00 177.00 177.87 1jkx n ASP 81 N 0.24 0.30 -3.70 6.66 8.00 0.76 -4.90 116.55 123.91 1jkx n ASP 81 Ca 0.03 0.07 -0.11 0.00 0.71 0.00 0.00 54.79 55.48 1jkx n ASP 81 Cb 0.42 1.46 -0.10 0.00 -0.02 0.00 0.00 41.12 42.88 1jkx n ASP 81 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1jkx s VAL 82 N -3.45 -0.01 -0.20 2.53 0.11 -1.03 -4.81 120.40 113.54 1jkx s VAL 82 Ca -0.05 0.04 -0.05 0.00 -2.93 0.00 0.00 61.98 58.99 1jkx s VAL 82 Cb 0.13 -0.68 -0.02 0.00 -1.53 0.00 0.00 36.38 34.28 1jkx s VAL 82 CO 0.87 0.02 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.96 1jkx s VAL 83 N 0.87 3.87 -0.25 2.04 1.01 0.11 -2.13 120.40 125.91 1jkx s VAL 83 Ca -0.05 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1jkx s VAL 83 Cb -0.06 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.58 1jkx s VAL 83 CO -0.07 0.43 -0.02 -0.69 0.00 0.00 0.00 175.10 174.74 1jkx s VAL 84 N 1.06 3.30 -0.28 2.92 1.01 0.58 -0.95 120.40 128.05 1jkx s VAL 84 Ca 0.02 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.03 1jkx s VAL 84 Cb -0.14 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 1jkx s VAL 84 CO 0.01 0.25 0.70 -0.76 0.00 0.00 0.00 175.10 175.30 1jkx s LEU 85 N 1.42 4.09 -0.51 3.92 1.43 0.22 -0.42 118.68 128.83 1jkx s LEU 85 Ca 0.03 0.68 0.04 0.00 -1.03 0.00 0.00 54.13 53.85 1jkx s LEU 85 Cb -0.16 -2.95 0.16 0.00 0.03 0.00 0.00 46.19 43.27 1jkx s LEU 85 CO -0.02 -0.48 0.37 0.00 0.23 0.00 0.00 176.35 176.45 1jkx s ALA 86 N 2.69 2.31 0.00 4.21 0.00 -0.09 -3.46 121.76 127.42 1jkx s ALA 86 Ca 0.29 -2.91 0.00 0.00 0.00 0.00 0.00 51.96 49.34 1jkx s ALA 86 Cb -0.15 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1jkx s ALA 86 CO 0.10 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.24 1jkx n GLY 87 N 2.72 0.60 3.62 0.00 0.00 -1.26 -4.41 105.19 106.46 1jkx n GLY 87 Ca 0.22 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 1jkx n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jkx s PHE 88 N -2.00 2.76 -0.74 1.61 5.36 -1.26 -2.59 117.98 121.13 1jkx s PHE 88 Ca 0.00 0.89 -0.01 0.00 -0.96 0.00 0.00 56.93 56.85 1jkx s PHE 88 Cb 0.00 -3.99 0.39 0.00 -0.34 0.00 0.00 43.02 39.08 1jkx s PHE 88 CO 0.00 -1.49 1.93 -1.33 -1.46 0.00 0.00 175.22 172.87 1jkx n MET 89 N 7.40 2.82 -3.73 10.12 2.81 -1.26 -4.88 117.12 130.40 1jkx n MET 89 Ca 0.14 -3.56 -0.16 0.00 -1.81 0.00 0.00 57.70 52.32 1jkx n MET 89 Cb 0.47 -2.27 -0.16 0.00 -0.71 0.00 0.00 33.22 30.55 1jkx n MET 89 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1jkx s ARG 90 N -3.94 0.01 0.28 0.03 3.52 -1.26 -5.13 118.95 112.46 1jkx s ARG 90 Ca 0.56 0.35 -0.30 0.00 -0.13 0.00 0.00 55.73 56.20 1jkx s ARG 90 Cb 0.46 -0.27 -0.11 0.00 -1.56 0.00 0.00 34.95 33.47 1jkx s ARG 90 CO -0.26 -0.21 1.56 0.42 -0.81 0.00 0.00 175.30 176.00 1jkx s ILE 91 N 1.47 2.20 -0.11 4.11 -1.09 -1.26 -4.99 121.20 121.52 1jkx s ILE 91 Ca -0.05 0.17 -0.11 0.00 -2.23 0.00 0.00 60.65 58.43 1jkx s ILE 91 Cb -0.12 -3.11 -0.05 0.00 -1.58 0.00 0.00 42.46 37.61 1jkx s ILE 91 CO -0.05 0.03 0.24 -0.76 -1.23 0.00 0.00 174.94 173.17 1jkx s LEU 92 N -0.42 4.35 0.89 2.97 1.43 -1.26 -5.08 118.68 121.57 1jkx s LEU 92 Ca 0.63 0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 54.18 1jkx s LEU 92 Cb -0.47 -2.26 0.13 0.00 0.03 0.00 0.00 46.19 43.62 1jkx s LEU 92 CO 0.46 0.29 1.10 -0.94 0.23 0.00 0.00 176.35 177.49 1jkx s SER 93 N -0.50 3.33 0.40 2.29 1.04 -1.26 -4.78 113.70 114.23 1jkx s SER 93 Ca 0.16 1.82 0.09 0.00 0.48 0.00 0.00 55.95 58.50 1jkx s SER 93 Cb -0.13 -2.42 0.87 0.00 0.10 0.00 0.00 66.02 64.44 1jkx s SER 93 CO 0.05 -2.78 2.02 -0.65 0.98 0.00 0.00 173.24 172.86 1jkx h PRO 94 N -1.64 0.55 -0.71 4.02 0.11 -1.99 -1.27 132.00 131.07 1jkx h PRO 94 Ca -0.47 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 1jkx h PRO 94 Cb 1.27 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1jkx h PRO 94 CO 0.49 0.36 0.20 0.00 -0.21 0.00 0.00 178.00 178.84 1jkx h ALA 95 N 1.70 1.00 -0.06 -0.75 0.00 -1.99 -0.05 119.26 119.11 1jkx h ALA 95 Ca 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1jkx h ALA 95 Cb 0.17 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jkx h ALA 95 CO -0.06 0.66 -0.01 0.35 0.00 0.00 0.00 179.25 180.19 1jkx h PHE 96 N 1.07 0.14 -0.61 0.00 3.04 -1.64 -1.28 116.94 117.65 1jkx h PHE 96 Ca 0.23 -0.03 0.05 0.00 3.98 0.00 0.00 57.97 62.20 1jkx h PHE 96 Cb 0.34 -0.03 -0.05 0.00 2.56 0.00 0.00 35.95 38.76 1jkx h PHE 96 CO 0.03 0.44 0.33 0.28 -2.02 0.00 0.00 178.31 177.36 1jkx h VAL 97 N -0.21 0.97 -0.71 1.41 2.07 -1.07 -2.26 116.25 116.45 1jkx h VAL 97 Ca 0.02 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 1jkx h VAL 97 Cb 0.39 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1jkx h VAL 97 CO 0.01 0.11 0.17 0.28 0.02 0.00 0.00 177.57 178.15 1jkx h SER 98 N 0.62 1.08 -0.72 0.57 0.02 -0.95 -1.38 113.55 112.79 1jkx h SER 98 Ca 0.27 -0.24 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1jkx h SER 98 Cb 0.16 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 1jkx h SER 98 CO -0.17 1.03 0.47 -0.74 -1.14 0.00 0.00 176.83 176.29 1jkx h HIS 99 N 1.07 0.85 -0.48 3.45 6.17 -0.67 -2.31 115.15 123.22 1jkx h HIS 99 Ca 0.22 0.02 -0.24 0.00 0.71 0.00 0.00 60.37 61.08 1jkx h HIS 99 Cb 0.38 -0.28 -0.14 0.00 2.52 0.00 0.00 27.41 29.89 1jkx h HIS 99 CO 0.03 0.50 0.07 0.66 0.71 0.00 0.00 177.93 179.90 1jkx n TYR 100 N -4.45 1.49 -1.67 5.26 4.01 -0.95 -5.03 117.16 115.82 1jkx n TYR 100 Ca 0.09 -1.61 -0.46 0.00 -0.16 0.00 0.00 57.90 55.76 1jkx n TYR 100 Cb 0.11 -0.58 -0.04 0.00 -0.31 0.00 0.00 39.34 38.52 1jkx n TYR 100 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jkx n ALA 101 N -1.08 1.25 -0.23 -0.72 0.00 -0.54 -1.35 120.51 117.85 1jkx n ALA 101 Ca 0.38 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.25 1jkx n ALA 101 Cb 1.16 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1jkx n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jkx n GLY 102 N 3.47 2.07 1.14 0.00 0.00 -1.26 -4.80 105.19 105.81 1jkx n GLY 102 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.23 1jkx n GLY 102 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1jkx n ARG 103 N -2.00 0.32 -4.09 1.61 1.85 -0.46 -4.60 116.66 109.30 1jkx n ARG 103 Ca 0.00 -2.10 -0.33 0.00 -1.00 0.00 0.00 57.85 54.42 1jkx n ARG 103 Cb 0.00 -0.41 -0.16 0.00 -1.05 0.00 0.00 32.46 30.84 1jkx n ARG 103 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1jkx s LEU 104 N -0.67 2.25 0.15 2.89 2.96 -1.09 0.05 118.68 125.22 1jkx s LEU 104 Ca 0.30 -0.63 0.09 0.00 -0.22 0.00 0.00 54.13 53.67 1jkx s LEU 104 Cb 0.32 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.46 1jkx s LEU 104 CO -0.12 -0.01 -0.16 -0.76 -1.32 0.00 0.00 176.35 173.99 1jkx s LEU 105 N 1.31 2.77 0.02 -0.68 1.43 -0.13 -1.01 118.68 122.40 1jkx s LEU 105 Ca 0.05 -0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 52.51 1jkx s LEU 105 Cb -0.13 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.53 1jkx s LEU 105 CO -0.12 0.15 0.07 0.21 0.23 0.00 0.00 176.35 176.89 1jkx s ASN 106 N -2.42 0.17 -0.12 2.29 2.47 -0.49 -0.61 114.94 116.23 1jkx s ASN 106 Ca 0.21 -0.47 0.02 0.00 0.42 0.00 0.00 52.86 53.04 1jkx s ASN 106 Cb -0.10 0.19 0.01 0.00 -1.45 0.00 0.00 41.25 39.90 1jkx s ASN 106 CO 0.12 -0.43 -0.19 -0.51 -3.72 0.00 0.00 177.10 172.38 1jkx s ILE 107 N -2.08 1.75 -0.15 -5.21 2.07 -1.22 -1.38 121.20 114.98 1jkx s ILE 107 Ca -0.10 -0.80 0.00 0.00 -1.41 0.00 0.00 60.65 58.35 1jkx s ILE 107 Cb -0.04 -1.57 -0.00 0.00 0.13 0.00 0.00 42.46 40.97 1jkx s ILE 107 CO -0.02 0.49 -0.15 -2.28 -1.91 0.00 0.00 174.94 171.06 1jkx s HIS 108 N 0.84 2.77 0.00 3.50 5.65 0.63 -4.75 115.29 123.93 1jkx s HIS 108 Ca -0.08 -0.97 -0.03 0.00 0.25 0.00 0.00 55.06 54.22 1jkx s HIS 108 Cb -0.15 -1.87 -0.14 0.00 -1.18 0.00 0.00 32.58 29.24 1jkx s HIS 108 CO -0.00 -0.43 2.17 -0.35 -0.65 0.00 0.00 174.74 175.48 1jkx n PRO 109 N 3.94 1.09 -3.65 2.88 -0.04 -1.26 -0.23 135.00 137.73 1jkx n PRO 109 Ca -0.19 -0.51 -0.10 0.00 -0.04 0.00 0.00 63.50 62.67 1jkx n PRO 109 Cb 0.52 -1.72 -0.02 0.00 -0.04 0.00 0.00 33.50 32.24 1jkx n PRO 109 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1jkx s SER 110 N 2.37 -0.40 -1.08 3.54 1.04 -0.22 -4.55 113.70 114.40 1jkx s SER 110 Ca 0.34 -0.32 -0.16 0.00 0.48 0.00 0.00 55.95 56.29 1jkx s SER 110 Cb 0.16 0.65 0.16 0.00 0.10 0.00 0.00 66.02 67.09 1jkx s SER 110 CO 0.00 -1.14 1.29 -0.76 0.98 0.00 0.00 173.24 173.61 1jkx s LEU 111 N -2.84 5.09 0.63 2.42 1.43 -1.25 -2.88 118.68 121.29 1jkx s LEU 111 Ca 0.06 -2.58 -0.17 0.00 -1.03 0.00 0.00 54.13 50.41 1jkx s LEU 111 Cb -0.03 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 1jkx s LEU 111 CO -0.03 -0.88 0.75 0.18 0.23 0.00 0.00 176.35 176.60 1jkx n LEU 112 N 5.98 2.28 0.00 1.79 4.77 -1.26 -1.79 117.00 128.76 1jkx n LEU 112 Ca 0.31 0.72 0.07 0.00 -0.03 0.00 0.00 56.01 57.08 1jkx n LEU 112 Cb 0.46 -1.29 0.44 0.00 -2.33 0.00 0.00 43.42 40.70 1jkx n LEU 112 CO 0.56 -2.49 0.70 -0.81 -1.33 0.00 0.00 177.39 174.02 1jkx n PRO 113 N -0.79 0.76 -2.33 3.23 -0.04 -1.26 -4.95 135.00 129.61 1jkx n PRO 113 Ca 0.12 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.20 1jkx n PRO 113 Cb 0.48 -1.31 -0.02 0.00 -0.04 0.00 0.00 33.50 32.61 1jkx n PRO 113 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1jkx s LYS 114 N -2.00 4.08 -1.02 0.54 1.02 -0.74 -4.06 119.74 117.55 1jkx s LYS 114 Ca 0.22 1.79 -0.17 0.00 0.02 0.00 0.00 55.97 57.84 1jkx s LYS 114 Cb 0.10 -2.67 0.02 0.00 -0.52 0.00 0.00 37.83 34.76 1jkx s LYS 114 CO 0.17 -0.29 0.68 0.66 -0.92 0.00 0.00 175.35 175.65 1jkx n TYR 115 N 0.07 -1.84 0.81 3.18 4.01 -1.26 -4.33 117.16 117.79 1jkx n TYR 115 Ca 0.04 0.50 0.09 0.00 -0.16 0.00 0.00 57.90 58.38 1jkx n TYR 115 Cb 0.47 -2.99 0.45 0.00 -0.31 0.00 0.00 39.34 36.95 1jkx n TYR 115 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1jkx n PRO 116 N -3.75 0.18 0.00 -0.72 -0.04 -1.26 -4.79 135.00 124.62 1jkx n PRO 116 Ca -0.18 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1jkx n PRO 116 Cb 0.61 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1jkx n PRO 116 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jkx n GLY 117 N 0.34 2.03 3.97 0.55 0.00 -1.26 -5.12 105.19 105.70 1jkx n GLY 117 Ca 0.07 -1.23 -0.23 0.00 0.00 0.00 0.00 46.02 44.64 1jkx n GLY 117 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jkx s LEU 118 N 0.00 3.10 -1.41 0.99 1.43 -1.26 -4.56 118.68 116.96 1jkx s LEU 118 Ca 0.00 -0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 1jkx s LEU 118 Cb 0.00 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.59 1jkx s LEU 118 CO 0.00 -1.46 0.36 1.41 0.23 0.00 0.00 176.35 176.88 1jkx n HIS 119 N -2.61 -1.57 -0.15 0.29 8.25 -1.26 -4.89 115.22 113.28 1jkx n HIS 119 Ca 0.10 0.68 -0.10 0.00 -0.26 0.00 0.00 57.72 58.14 1jkx n HIS 119 Cb 0.60 -3.50 -0.01 0.00 1.12 0.00 0.00 29.99 28.20 1jkx n HIS 119 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1jkx h THR 120 N -1.86 1.26 -0.34 1.59 1.35 -1.86 -2.33 112.91 110.72 1jkx h THR 120 Ca -0.64 -1.04 -0.02 0.00 -0.55 0.00 0.00 66.41 64.16 1jkx h THR 120 Cb 1.38 1.10 -0.02 0.00 -1.73 0.00 0.00 68.15 68.88 1jkx h THR 120 CO 0.63 0.35 0.14 0.45 -0.25 0.00 0.00 175.52 176.84 1jkx h HIS 121 N 0.59 0.52 -0.51 4.73 3.86 -1.90 0.06 115.15 122.49 1jkx h HIS 121 Ca 0.12 -0.04 0.08 0.00 -1.16 0.00 0.00 60.37 59.37 1jkx h HIS 121 Cb 0.50 -0.16 -0.07 0.00 1.06 0.00 0.00 27.41 28.75 1jkx h HIS 121 CO 0.04 0.48 0.14 -0.09 0.86 0.00 0.00 177.93 179.37 1jkx h ARG 122 N 0.41 0.29 -0.28 2.45 2.43 -1.93 -2.32 114.38 115.43 1jkx h ARG 122 Ca 0.11 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1jkx h ARG 122 Cb 0.18 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1jkx h ARG 122 CO -0.01 0.19 -0.00 1.96 -1.51 0.00 0.00 179.97 180.60 1jkx h GLN 123 N 0.30 0.49 -0.76 0.20 4.20 -1.01 -1.89 115.11 116.64 1jkx h GLN 123 Ca 0.25 -0.16 0.08 0.00 0.06 0.00 0.00 58.65 58.89 1jkx h GLN 123 Cb 0.31 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.98 1jkx h GLN 123 CO -0.29 0.65 0.42 0.00 -0.67 0.00 0.00 178.83 178.94 1jkx h ALA 124 N 0.82 1.06 -0.05 3.87 0.00 -0.67 -1.46 119.26 122.84 1jkx h ALA 124 Ca 0.08 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1jkx h ALA 124 Cb 0.43 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1jkx h ALA 124 CO 0.02 0.06 -0.07 -0.07 0.00 0.00 0.00 179.25 179.18 1jkx h LEU 125 N 0.73 0.15 -1.35 0.00 3.38 -1.39 -2.32 115.31 114.50 1jkx h LEU 125 Ca 0.36 -0.54 0.06 0.00 0.09 0.00 0.00 57.88 57.85 1jkx h LEU 125 Cb 0.31 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1jkx h LEU 125 CO -0.23 0.66 0.49 -0.33 0.09 0.00 0.00 178.44 179.11 1jkx h GLU 126 N -0.36 0.77 -0.05 1.13 5.08 -1.10 -1.82 114.58 118.22 1jkx h GLU 126 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1jkx h GLU 126 Cb 0.63 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1jkx h GLU 126 CO 0.02 0.51 0.00 0.09 -1.00 0.00 0.00 179.01 178.63 1jkx n ASN 127 N -4.48 1.12 -3.21 1.42 3.02 -0.57 -4.95 115.26 107.61 1jkx n ASN 127 Ca 0.11 -1.46 -0.15 0.00 -0.03 0.00 0.00 54.58 53.05 1jkx n ASN 127 Cb 0.21 -0.03 0.08 0.00 -0.61 0.00 0.00 39.78 39.43 1jkx n ASN 127 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jkx n GLY 128 N 1.09 -0.36 3.77 7.41 0.00 -0.69 -4.99 105.19 111.43 1jkx n GLY 128 Ca 0.19 0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 1jkx n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jkx s ASP 129 N -4.15 7.42 0.00 1.61 1.11 -0.88 -4.94 116.67 116.83 1jkx s ASP 129 Ca 0.04 1.72 0.28 0.00 0.18 0.00 0.00 52.55 54.77 1jkx s ASP 129 Cb -0.01 -2.53 1.01 0.00 1.07 0.00 0.00 42.92 42.47 1jkx s ASP 129 CO 0.67 0.14 1.73 -1.84 1.18 0.00 0.00 175.17 177.05 1jkx n GLU 130 N 1.35 0.65 -3.95 8.23 0.28 -1.26 -4.66 120.64 121.26 1jkx n GLU 130 Ca -0.03 -0.29 -0.09 0.00 -0.16 0.00 0.00 57.16 56.58 1jkx n GLU 130 Cb 0.49 -1.49 -0.10 0.00 1.43 0.00 0.00 31.44 31.76 1jkx n GLU 130 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1jkx s GLU 131 N -2.55 0.44 0.35 3.44 2.02 -1.26 -1.03 118.70 120.11 1jkx s GLU 131 Ca 0.25 -0.65 -0.03 0.00 0.02 0.00 0.00 54.97 54.56 1jkx s GLU 131 Cb 0.19 0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.60 1jkx s GLU 131 CO 0.51 -0.09 0.49 -1.58 0.02 0.00 0.00 175.26 174.61 1jkx s HIS 132 N -1.93 1.03 -2.97 1.61 2.46 -0.35 -4.88 115.29 110.26 1jkx s HIS 132 Ca -0.11 -1.28 0.00 0.00 0.47 0.00 0.00 55.06 54.14 1jkx s HIS 132 Cb -0.06 -0.05 0.00 0.00 -0.13 0.00 0.00 32.58 32.34 1jkx s HIS 132 CO -0.02 -1.16 0.00 0.41 -2.47 0.00 0.00 174.74 171.50 1jkx n GLY 133 N -0.57 -0.83 3.09 1.59 0.00 -1.26 -0.20 105.19 107.01 1jkx n GLY 133 Ca 0.01 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 1jkx n GLY 133 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jkx s THR 134 N -3.00 0.75 -0.05 2.61 -1.32 -0.59 -1.06 115.64 112.98 1jkx s THR 134 Ca 0.00 -1.08 0.02 0.00 -1.21 0.00 0.00 61.69 59.42 1jkx s THR 134 Cb 0.00 -0.76 0.01 0.00 -1.51 0.00 0.00 72.50 70.24 1jkx s THR 134 CO 0.00 -0.27 -0.11 -0.44 -2.21 0.00 0.00 174.62 171.59 1jkx s SER 135 N -1.49 1.61 -0.15 8.08 0.01 0.68 -1.27 113.70 121.16 1jkx s SER 135 Ca -0.06 -0.26 -0.06 0.00 1.31 0.00 0.00 55.95 56.88 1jkx s SER 135 Cb -0.09 -0.67 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 1jkx s SER 135 CO 0.01 0.04 0.05 -0.69 0.41 0.00 0.00 173.24 173.06 1jkx s VAL 136 N 0.56 4.69 0.09 3.43 1.01 -0.10 -0.27 120.40 129.81 1jkx s VAL 136 Ca -0.11 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 1jkx s VAL 136 Cb -0.14 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 1jkx s VAL 136 CO 0.03 0.52 0.15 -1.38 0.00 0.00 0.00 175.10 174.41 1jkx s HIS 137 N -0.11 0.31 0.18 5.22 -3.43 -0.48 -0.15 115.29 116.84 1jkx s HIS 137 Ca 0.06 -0.75 -0.30 0.00 -0.80 0.00 0.00 55.06 53.27 1jkx s HIS 137 Cb -0.12 -0.16 -0.08 0.00 -1.43 0.00 0.00 32.58 30.80 1jkx s HIS 137 CO 0.01 -0.54 0.94 -0.06 -2.00 0.00 0.00 174.74 173.10 1jkx s PHE 138 N -3.90 3.91 -0.17 0.38 0.08 -0.77 -1.40 117.98 116.11 1jkx s PHE 138 Ca 0.09 1.86 -0.20 0.00 0.12 0.00 0.00 56.93 58.79 1jkx s PHE 138 Cb 0.05 -3.00 -0.03 0.00 -0.57 0.00 0.00 43.02 39.47 1jkx s PHE 138 CO -0.08 0.35 0.56 0.08 -0.10 0.00 0.00 175.22 176.03 1jkx s VAL 139 N -0.66 5.09 0.31 -0.44 1.01 -0.18 -3.52 120.40 122.01 1jkx s VAL 139 Ca 0.43 1.08 0.03 0.00 0.00 0.00 0.00 61.98 63.52 1jkx s VAL 139 Cb -0.25 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1jkx s VAL 139 CO 0.31 0.19 0.09 0.42 0.00 0.00 0.00 175.10 176.11 1jkx s THR 140 N 1.45 0.79 -0.17 3.92 -4.23 -0.23 -4.69 115.64 112.48 1jkx s THR 140 Ca 0.27 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.79 1jkx s THR 140 Cb -0.16 -2.65 0.19 0.00 1.34 0.00 0.00 72.50 71.22 1jkx s THR 140 CO 0.11 0.00 1.54 -0.67 -0.54 0.00 0.00 174.62 175.06 1jkx n ASP 141 N -0.71 4.22 -4.95 3.99 2.03 -1.26 -4.39 116.55 115.48 1jkx n ASP 141 Ca -0.02 -2.63 -0.23 0.00 0.52 0.00 0.00 54.79 52.44 1jkx n ASP 141 Cb 0.66 -0.77 -0.00 0.00 -0.72 0.00 0.00 41.12 40.29 1jkx n ASP 141 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1jkx s GLU 142 N -1.11 3.29 0.39 -0.67 2.02 -1.26 -5.00 118.70 116.36 1jkx s GLU 142 Ca 0.19 -0.48 0.05 0.00 0.02 0.00 0.00 54.97 54.75 1jkx s GLU 142 Cb 0.16 -2.65 0.77 0.00 0.10 0.00 0.00 34.13 32.51 1jkx s GLU 142 CO 0.02 -0.00 2.03 -0.07 0.02 0.00 0.00 175.26 177.26 1jkx h LEU 143 N 0.66 0.58 -0.46 1.80 3.38 -2.02 -1.61 115.31 117.64 1jkx h LEU 143 Ca -0.48 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1jkx h LEU 143 Cb 1.24 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1jkx h LEU 143 CO 0.59 0.41 -0.03 -0.90 0.09 0.00 0.00 178.44 178.60 1jkx n ASP 144 N -4.46 0.75 0.00 -0.43 5.68 -1.26 -4.93 116.55 111.90 1jkx n ASP 144 Ca 0.05 -1.12 0.00 0.00 -0.50 0.00 0.00 54.79 53.22 1jkx n ASP 144 Cb 0.07 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1jkx n ASP 144 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jkx n GLY 145 N 1.14 1.69 0.00 6.12 0.00 -0.60 -4.94 105.19 108.59 1jkx n GLY 145 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1jkx n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jkx n GLY 146 N -2.00 3.62 3.72 -0.02 0.00 -1.25 -1.07 105.19 108.18 1jkx n GLY 146 Ca 0.00 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1jkx n GLY 146 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jkx s PRO 147 N -2.97 4.24 0.22 1.61 0.04 -1.23 -4.70 135.00 132.20 1jkx s PRO 147 Ca 0.00 2.30 -0.30 0.00 0.04 0.00 0.00 61.00 63.04 1jkx s PRO 147 Cb 0.00 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.26 1jkx s PRO 147 CO 0.00 -0.58 1.22 0.08 0.04 0.00 0.00 177.00 177.76 1jkx s VAL 148 N 1.21 3.40 -0.27 -0.36 1.01 -1.26 -1.85 120.40 122.27 1jkx s VAL 148 Ca 0.69 1.22 -0.11 0.00 0.00 0.00 0.00 61.98 63.79 1jkx s VAL 148 Cb -0.42 -3.78 -0.14 0.00 0.00 0.00 0.00 36.38 32.04 1jkx s VAL 148 CO 0.31 0.22 -0.30 -0.38 0.00 0.00 0.00 175.10 174.95 1jkx n ILE 149 N 2.15 1.52 -3.66 2.22 5.41 0.79 -3.76 119.36 124.04 1jkx n ILE 149 Ca 0.03 -0.42 -0.13 0.00 1.00 0.00 0.00 62.75 63.23 1jkx n ILE 149 Cb 0.44 -1.78 -0.08 0.00 -0.71 0.00 0.00 39.64 37.51 1jkx n ILE 149 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1jkx s LEU 150 N -7.29 -0.39 0.22 1.39 2.96 -1.13 -0.79 118.68 113.66 1jkx s LEU 150 Ca -0.37 1.25 0.10 0.00 -0.22 0.00 0.00 54.13 54.89 1jkx s LEU 150 Cb 0.13 2.12 -0.05 0.00 0.50 0.00 0.00 46.19 48.89 1jkx s LEU 150 CO 0.52 -0.22 -0.19 -1.10 -1.32 0.00 0.00 176.35 174.05 1jkx s GLN 151 N 0.42 1.49 -0.05 1.98 -0.21 -1.26 -0.93 119.66 121.10 1jkx s GLN 151 Ca -0.01 -1.61 0.01 0.00 0.02 0.00 0.00 55.36 53.78 1jkx s GLN 151 Cb -0.04 -1.55 0.02 0.00 1.00 0.00 0.00 33.01 32.43 1jkx s GLN 151 CO -0.01 0.30 -0.06 0.00 -2.12 0.00 0.00 175.29 173.40 1jkx s ALA 152 N -2.35 0.83 0.04 6.09 0.00 -0.40 -5.00 121.76 120.97 1jkx s ALA 152 Ca 0.24 -0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.06 1jkx s ALA 152 Cb -0.05 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1jkx s ALA 152 CO 0.10 -0.02 0.02 0.15 0.00 0.00 0.00 175.76 176.01 1jkx s LYS 153 N 0.94 2.77 -0.00 0.00 1.02 -1.26 -1.54 119.74 121.67 1jkx s LYS 153 Ca -0.10 -0.67 0.04 0.00 0.02 0.00 0.00 55.97 55.26 1jkx s LYS 153 Cb -0.14 -2.67 -0.01 0.00 -0.52 0.00 0.00 37.83 34.49 1jkx s LYS 153 CO 0.00 0.59 -0.13 0.14 -0.92 0.00 0.00 175.35 175.04 1jkx s VAL 154 N -1.21 1.01 0.49 3.17 -7.23 0.72 -4.97 120.40 112.37 1jkx s VAL 154 Ca 0.23 -0.60 -0.19 0.00 -1.81 0.00 0.00 61.98 59.61 1jkx s VAL 154 Cb -0.12 -0.85 -0.08 0.00 0.56 0.00 0.00 36.38 35.89 1jkx s VAL 154 CO 0.15 0.25 1.01 -2.16 -0.31 0.00 0.00 175.10 174.04 1jkx s PRO 155 N -0.40 3.85 -0.16 4.82 0.04 -1.26 -1.21 135.00 140.69 1jkx s PRO 155 Ca 0.04 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1jkx s PRO 155 Cb -0.05 -2.11 -0.00 0.00 0.04 0.00 0.00 34.50 32.37 1jkx s PRO 155 CO -0.00 -0.37 -0.15 0.08 0.04 0.00 0.00 177.00 176.60 1jkx s VAL 156 N -2.16 2.72 0.11 -0.36 1.01 -0.20 -4.84 120.40 116.70 1jkx s VAL 156 Ca 0.65 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.95 1jkx s VAL 156 Cb -0.14 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1jkx s VAL 156 CO 0.22 0.51 -0.13 -0.36 0.00 0.00 0.00 175.10 175.34 1jkx s PHE 157 N 0.81 2.66 0.24 5.22 0.08 -1.26 -4.74 117.98 120.98 1jkx s PHE 157 Ca -0.05 -0.20 -0.31 0.00 0.12 0.00 0.00 56.93 56.49 1jkx s PHE 157 Cb -0.15 -1.39 -0.11 0.00 -0.57 0.00 0.00 43.02 40.80 1jkx s PHE 157 CO 0.00 0.42 1.59 0.00 -0.10 0.00 0.00 175.22 177.13 1jkx s ALA 158 N -1.22 3.78 0.00 5.36 0.00 -1.26 -1.77 121.76 126.65 1jkx s ALA 158 Ca 0.20 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.65 1jkx s ALA 158 Cb -0.11 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1jkx s ALA 158 CO 0.12 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.41 1jkx n GLY 159 N 2.96 0.50 3.73 0.00 0.00 -1.26 -5.07 105.19 106.05 1jkx n GLY 159 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1jkx n GLY 159 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jkx s ASP 160 N -2.00 7.41 0.58 1.61 1.01 -0.73 -5.05 116.67 119.50 1jkx s ASP 160 Ca 0.00 1.69 -0.04 0.00 0.71 0.00 0.00 52.55 54.92 1jkx s ASP 160 Cb 0.00 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.39 1jkx s ASP 160 CO 0.00 -0.11 0.86 -0.94 0.21 0.00 0.00 175.17 175.19 1jkx s SER 161 N 0.27 5.42 0.50 0.27 1.04 -1.26 -4.89 113.70 115.05 1jkx s SER 161 Ca 0.47 0.45 0.15 0.00 0.48 0.00 0.00 55.95 57.49 1jkx s SER 161 Cb -0.22 -1.40 1.18 0.00 0.10 0.00 0.00 66.02 65.68 1jkx s SER 161 CO 0.28 -1.12 2.11 -0.08 0.98 0.00 0.00 173.24 175.41 1jkx h GLU 162 N -0.11 0.05 -0.18 4.02 4.81 -1.96 -0.34 114.58 120.87 1jkx h GLU 162 Ca -0.45 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.63 1jkx h GLU 162 Cb 1.28 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1jkx h GLU 162 CO 0.58 0.07 -0.51 -0.44 -0.73 0.00 0.00 179.01 177.98 1jkx h ASP 163 N 0.05 0.55 0.01 1.04 3.32 -1.98 -0.61 116.42 118.79 1jkx h ASP 163 Ca 0.01 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 1jkx h ASP 163 Cb 0.06 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1jkx h ASP 163 CO 0.00 0.96 -0.01 0.44 -1.72 0.00 0.00 179.24 178.91 1jkx h ASP 164 N 0.39 -0.01 -0.66 6.45 3.32 -1.45 -1.68 116.42 122.78 1jkx h ASP 164 Ca 0.02 -0.32 -0.06 0.00 0.02 0.00 0.00 57.03 56.68 1jkx h ASP 164 Cb 1.03 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 1jkx h ASP 164 CO 0.09 0.32 0.16 0.40 -1.72 0.00 0.00 179.24 178.49 1jkx h ILE 165 N -0.35 1.26 -0.35 0.35 1.08 -1.32 -1.45 117.51 116.73 1jkx h ILE 165 Ca -0.00 -0.94 0.01 0.00 -0.39 0.00 0.00 64.86 63.54 1jkx h ILE 165 Cb 0.34 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 1jkx h ILE 165 CO 0.00 0.36 0.23 0.74 -0.69 0.00 0.00 178.15 178.78 1jkx h THR 166 N 0.97 1.08 -0.56 -0.27 2.02 -1.09 -0.14 112.91 114.93 1jkx h THR 166 Ca 0.21 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.14 1jkx h THR 166 Cb 0.36 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1jkx h THR 166 CO 0.00 0.08 0.00 0.00 0.37 0.00 0.00 175.52 175.98 1jkx h ALA 167 N 1.13 0.95 -0.64 6.16 0.00 -1.15 0.25 119.26 125.97 1jkx h ALA 167 Ca 0.13 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1jkx h ALA 167 Cb -0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1jkx h ALA 167 CO -0.03 0.63 0.28 -0.09 0.00 0.00 0.00 179.25 180.03 1jkx h ARG 168 N 0.88 0.94 -0.40 0.00 2.43 -0.90 -1.71 114.38 115.61 1jkx h ARG 168 Ca 0.16 -0.16 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 1jkx h ARG 168 Cb 0.51 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1jkx h ARG 168 CO 0.03 0.77 -0.31 0.28 -1.51 0.00 0.00 179.97 179.23 1jkx h VAL 169 N 0.88 1.27 -0.86 0.20 2.07 -0.75 -3.00 116.25 116.07 1jkx h VAL 169 Ca 0.21 -1.47 0.10 0.00 0.82 0.00 0.00 66.70 66.36 1jkx h VAL 169 Cb 0.17 1.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.16 1jkx h VAL 169 CO -0.02 0.49 0.50 -0.61 0.02 0.00 0.00 177.57 177.96 1jkx h GLN 170 N 0.74 0.80 -1.00 1.57 4.15 -0.49 0.03 115.11 120.91 1jkx h GLN 170 Ca 0.08 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.48 1jkx h GLN 170 Cb 0.88 -0.18 -0.06 0.00 0.21 0.00 0.00 27.48 28.33 1jkx h GLN 170 CO 0.08 0.53 0.66 1.15 -1.93 0.00 0.00 178.83 179.32 1jkx h THR 171 N 0.83 1.20 -0.28 2.39 2.02 -1.18 -1.80 112.91 116.09 1jkx h THR 171 Ca 0.42 -0.45 -0.15 0.00 0.77 0.00 0.00 66.41 67.00 1jkx h THR 171 Cb 0.40 -0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1jkx h THR 171 CO -0.26 0.24 -0.44 1.56 0.37 0.00 0.00 175.52 177.00 1jkx h GLN 172 N 1.30 0.72 -0.26 6.66 1.08 -1.04 -3.12 115.11 120.44 1jkx h GLN 172 Ca 0.39 -0.39 0.05 0.00 -1.45 0.00 0.00 58.65 57.25 1jkx h GLN 172 Cb -0.06 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.35 1jkx h GLN 172 CO -0.11 1.01 -0.03 0.93 -0.95 0.00 0.00 178.83 179.68 1jkx h GLU 173 N 0.58 0.04 0.00 1.46 5.08 -0.34 0.12 114.58 121.51 1jkx h GLU 173 Ca 0.04 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1jkx h GLU 173 Cb 0.99 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1jkx h GLU 173 CO 0.09 0.02 -0.00 0.45 -1.00 0.00 0.00 179.01 178.57 1jkx h HIS 174 N 0.04 0.00 0.00 4.33 3.86 -1.32 -0.89 115.15 121.17 1jkx h HIS 174 Ca 0.13 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.14 1jkx h HIS 174 Cb 0.18 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 1jkx h HIS 174 CO -0.23 0.00 -1.13 0.00 0.86 0.00 0.00 177.93 177.43 1jkx h ALA 175 N 2.00 0.23 0.00 2.45 0.00 -1.18 -3.39 119.26 119.36 1jkx h ALA 175 Ca -0.00 -1.11 -0.15 0.00 0.00 0.00 0.00 54.91 53.65 1jkx h ALA 175 Cb 0.03 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1jkx h ALA 175 CO 0.00 0.66 -0.72 -0.84 0.00 0.00 0.00 179.25 178.34 1jkx h ILE 176 N -1.00 1.36 -0.04 0.00 3.07 -0.84 -3.05 117.51 117.01 1jkx h ILE 176 Ca -0.30 -2.63 -0.01 0.00 1.55 0.00 0.00 64.86 63.48 1jkx h ILE 176 Cb 1.20 2.48 -0.00 0.00 -0.27 0.00 0.00 36.82 40.23 1jkx h ILE 176 CO -0.18 0.71 -0.01 0.22 -1.05 0.00 0.00 178.15 177.84 1jkx h TYR 177 N 0.00 0.08 -0.29 0.16 5.03 -1.39 -0.44 116.97 120.12 1jkx h TYR 177 Ca -0.01 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.27 1jkx h TYR 177 Cb 1.42 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 39.67 1jkx h TYR 177 CO 0.00 0.40 0.09 -1.35 -1.32 0.00 0.00 178.16 175.98 1jkx h PRO 178 N -0.27 0.40 -0.03 1.82 0.11 -1.76 -0.50 132.00 131.78 1jkx h PRO 178 Ca 0.01 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1jkx h PRO 178 Cb 0.37 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 1jkx h PRO 178 CO 0.00 0.36 0.01 1.25 -0.21 0.00 0.00 178.00 179.41 1jkx h LEU 179 N 0.40 0.04 -0.72 2.35 5.85 -1.39 0.10 115.31 121.95 1jkx h LEU 179 Ca 0.10 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1jkx h LEU 179 Cb 0.13 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1jkx h LEU 179 CO -0.01 0.23 0.46 0.58 -0.34 0.00 0.00 178.44 179.36 1jkx h VAL 180 N -0.14 1.12 -0.39 1.05 2.07 -0.69 -0.59 116.25 118.67 1jkx h VAL 180 Ca 0.01 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 1jkx h VAL 180 Cb 0.20 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1jkx h VAL 180 CO -0.00 0.16 -0.03 0.40 0.02 0.00 0.00 177.57 178.13 1jkx h ILE 181 N 0.90 1.22 -0.54 4.57 2.04 -0.87 -1.92 117.51 122.93 1jkx h ILE 181 Ca 0.28 -0.93 -0.08 0.00 1.00 0.00 0.00 64.86 65.13 1jkx h ILE 181 Cb -0.01 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1jkx h ILE 181 CO -0.10 0.32 0.01 0.77 0.00 0.00 0.00 178.15 179.15 1jkx h SER 182 N 0.60 0.88 -0.75 1.72 4.64 0.17 0.57 113.55 121.38 1jkx h SER 182 Ca 0.12 -0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 1jkx h SER 182 Cb 0.42 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.24 1jkx h SER 182 CO 0.02 0.94 0.36 -0.50 -0.87 0.00 0.00 176.83 176.77 1jkx h TRP 183 N 0.84 1.09 -0.31 4.77 6.55 -0.49 0.60 115.95 129.01 1jkx h TRP 183 Ca 0.16 -0.05 -0.09 0.00 0.95 0.00 0.00 58.89 59.86 1jkx h TRP 183 Cb 0.49 -0.34 -0.01 0.00 -0.86 0.00 0.00 29.16 28.44 1jkx h TRP 183 CO 0.03 0.80 -0.14 0.35 -1.05 0.00 0.00 178.44 178.43 1jkx h PHE 184 N 1.09 0.74 -0.14 0.49 3.57 -0.70 -0.82 116.94 121.18 1jkx h PHE 184 Ca 0.26 -0.18 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1jkx h PHE 184 Cb 0.12 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1jkx h PHE 184 CO 0.01 0.86 -0.07 0.00 -2.23 0.00 0.00 178.31 176.89 1jkx h ALA 185 N 0.77 1.64 -0.00 2.41 0.00 -0.41 -1.64 119.26 122.01 1jkx h ALA 185 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1jkx h ALA 185 Cb 0.66 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1jkx h ALA 185 CO 0.04 0.27 -0.04 -0.25 0.00 0.00 0.00 179.25 179.28 1jkx n ASP 186 N -4.35 0.41 0.00 0.00 8.00 0.16 -4.90 116.55 115.87 1jkx n ASP 186 Ca -0.01 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.65 1jkx n ASP 186 Cb 0.21 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1jkx n ASP 186 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jkx n GLY 187 N 1.15 0.46 0.08 0.44 0.00 -0.62 -4.90 105.19 101.79 1jkx n GLY 187 Ca 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 1jkx n GLY 187 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jkx h ARG 188 N 0.98 0.00 -5.32 1.61 3.08 -1.38 -3.45 114.38 109.90 1jkx h ARG 188 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1jkx h ARG 188 Cb 0.14 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.03 1jkx h ARG 188 CO 0.00 0.84 -0.57 -1.17 -1.07 0.00 0.00 179.97 177.99 1jkx s LEU 189 N -6.56 3.76 0.02 3.04 2.96 -0.95 -0.93 118.68 120.02 1jkx s LEU 189 Ca 0.01 0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 53.97 1jkx s LEU 189 Cb 0.09 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 1jkx s LEU 189 CO 0.81 0.19 0.00 -0.54 -1.32 0.00 0.00 176.35 175.49 1jkx s LYS 190 N 0.27 0.39 -0.23 1.98 -0.14 -0.26 -4.65 119.74 117.10 1jkx s LYS 190 Ca 0.03 -0.66 -0.06 0.00 -1.36 0.00 0.00 55.97 53.92 1jkx s LYS 190 Cb -0.12 0.14 -0.02 0.00 -1.68 0.00 0.00 37.83 36.15 1jkx s LYS 190 CO 0.01 -0.07 0.02 1.41 -0.76 0.00 0.00 175.35 175.95 1jkx s MET 191 N -1.81 3.58 -0.08 1.68 -2.45 -1.26 -0.30 119.30 118.66 1jkx s MET 191 Ca -0.12 -0.52 0.01 0.00 -1.25 0.00 0.00 55.69 53.80 1jkx s MET 191 Cb -0.07 -3.17 0.02 0.00 1.25 0.00 0.00 34.83 32.86 1jkx s MET 191 CO -0.02 -0.13 -0.09 -1.01 1.05 0.00 0.00 175.02 174.82 1jkx s HIS 192 N 1.38 1.35 -1.35 4.11 3.76 -0.51 -4.88 115.29 119.15 1jkx s HIS 192 Ca 0.05 -0.56 -0.04 0.00 -0.15 0.00 0.00 55.06 54.36 1jkx s HIS 192 Cb -0.15 -1.07 -0.00 0.00 1.11 0.00 0.00 32.58 32.47 1jkx s HIS 192 CO 0.01 -0.36 0.49 0.39 -0.85 0.00 0.00 174.74 174.43 1jkx n GLU 193 N 4.30 -2.99 -2.09 1.40 -0.58 -1.26 -1.49 120.64 117.93 1jkx n GLU 193 Ca -0.19 0.42 -0.19 0.00 -0.42 0.00 0.00 57.16 56.77 1jkx n GLU 193 Cb 0.51 -4.45 -0.04 0.00 -0.57 0.00 0.00 31.44 26.89 1jkx n GLU 193 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1jkx n ASN 194 N -2.93 -5.38 -4.22 1.62 3.02 -1.26 -4.98 115.26 101.14 1jkx n ASN 194 Ca -0.27 0.19 -0.16 0.00 -0.03 0.00 0.00 54.58 54.31 1jkx n ASN 194 Cb 0.67 -4.60 -0.11 0.00 -0.61 0.00 0.00 39.78 35.14 1jkx n ASN 194 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jkx s ALA 195 N -2.84 1.33 -0.15 5.41 0.00 -0.55 -4.28 121.76 120.68 1jkx s ALA 195 Ca 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 51.96 50.62 1jkx s ALA 195 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1jkx s ALA 195 CO 0.00 0.02 0.08 0.00 0.00 0.00 0.00 175.76 175.86 1jkx s ALA 196 N -2.43 3.57 -0.08 0.00 0.00 -1.26 -1.43 121.76 120.13 1jkx s ALA 196 Ca 0.09 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.36 1jkx s ALA 196 Cb -0.03 -1.89 0.01 0.00 0.00 0.00 0.00 23.12 21.21 1jkx s ALA 196 CO 0.01 0.39 -0.16 -1.58 0.00 0.00 0.00 175.76 174.43 1jkx s TRP 197 N -0.31 1.83 -0.15 0.00 0.52 0.59 -0.34 118.94 121.07 1jkx s TRP 197 Ca 0.09 -0.74 0.01 0.00 0.02 0.00 0.00 56.10 55.48 1jkx s TRP 197 Cb -0.12 -1.30 0.01 0.00 -1.15 0.00 0.00 33.47 30.91 1jkx s TRP 197 CO 0.01 -0.35 -0.19 -1.17 0.02 0.00 0.00 176.95 175.27 1jkx s LEU 198 N 0.66 2.26 -1.47 2.99 2.96 -0.37 -1.10 118.68 124.61 1jkx s LEU 198 Ca -0.14 -0.56 -0.11 0.00 -0.22 0.00 0.00 54.13 53.11 1jkx s LEU 198 Cb -0.16 -1.50 0.05 0.00 0.50 0.00 0.00 46.19 45.08 1jkx s LEU 198 CO 0.04 0.07 0.89 0.47 -1.32 0.00 0.00 176.35 176.50 1jkx n ASP 199 N 4.16 -5.25 0.00 3.68 8.00 -0.11 -1.59 116.55 125.45 1jkx n ASP 199 Ca -0.20 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.72 1jkx n ASP 199 Cb 0.51 -4.20 0.00 0.00 -0.02 0.00 0.00 41.12 37.42 1jkx n ASP 199 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jkx n GLY 200 N -1.66 0.84 3.43 0.44 0.00 -1.26 -5.03 105.19 101.95 1jkx n GLY 200 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1jkx n GLY 200 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jkx s GLN 201 N -0.03 3.12 -0.01 1.61 -0.21 -0.62 -5.08 119.66 118.45 1jkx s GLN 201 Ca 0.00 -0.66 -0.30 0.00 0.02 0.00 0.00 55.36 54.42 1jkx s GLN 201 Cb 0.00 -2.59 -0.07 0.00 1.00 0.00 0.00 33.01 31.36 1jkx s GLN 201 CO 0.00 0.36 1.76 0.50 -2.12 0.00 0.00 175.29 175.80 1jkx s ARG 202 N -0.03 4.17 0.45 2.91 3.52 -1.26 -1.24 118.95 127.47 1jkx s ARG 202 Ca -0.02 2.35 -0.22 0.00 -0.13 0.00 0.00 55.73 57.70 1jkx s ARG 202 Cb -0.14 -4.01 -0.08 0.00 -1.56 0.00 0.00 34.95 29.16 1jkx s ARG 202 CO 0.04 -0.87 1.08 -0.51 -0.81 0.00 0.00 175.30 174.22 1jkx s LEU 203 N 4.06 3.98 0.94 -0.88 1.43 0.54 -4.94 118.68 123.80 1jkx s LEU 203 Ca 0.79 2.08 -0.11 0.00 -1.03 0.00 0.00 54.13 55.85 1jkx s LEU 203 Cb -0.37 -4.36 0.11 0.00 0.03 0.00 0.00 46.19 41.60 1jkx s LEU 203 CO 0.34 -0.75 0.86 -2.65 0.23 0.00 0.00 176.35 174.38 1jkx n PRO 204 N -0.57 -0.44 -0.18 1.29 -0.02 -1.25 -4.79 135.00 129.04 1jkx n PRO 204 Ca 0.08 -0.07 0.16 0.00 -2.02 0.00 0.00 63.50 61.64 1jkx n PRO 204 Cb 0.50 -2.18 0.50 0.00 -0.02 0.00 0.00 33.50 32.31 1jkx n PRO 204 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1jkx h PRO 205 N -1.79 0.42 -0.67 0.52 0.11 -1.95 0.11 132.00 128.74 1jkx h PRO 205 Ca -0.43 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 1jkx h PRO 205 Cb 1.28 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1jkx h PRO 205 CO 0.39 0.28 0.12 1.04 -0.21 0.00 0.00 178.00 179.61 1jkx n GLN 206 N -4.48 4.29 0.00 1.05 6.02 -1.26 -4.22 117.38 118.77 1jkx n GLN 206 Ca 0.15 -3.00 0.00 0.00 -0.01 0.00 0.00 57.00 54.14 1jkx n GLN 206 Cb 0.54 -2.22 0.00 0.00 1.02 0.00 0.00 30.24 29.58 1jkx n GLN 206 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jkx n GLY 207 N 0.29 -2.74 3.65 1.08 0.00 0.39 -4.26 105.19 103.60 1jkx n GLY 207 Ca 0.32 -1.71 -0.47 0.00 0.00 0.00 0.00 46.02 44.17 1jkx n GLY 207 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jkx n TYR 208 N -0.52 2.06 -1.18 1.61 9.36 0.03 -3.89 117.16 124.64 1jkx n TYR 208 Ca 0.00 0.40 0.00 0.00 3.32 0.00 0.00 57.90 61.62 1jkx n TYR 208 Cb 0.00 -2.47 0.00 0.00 -0.63 0.00 0.00 39.34 36.24 1jkx n TYR 208 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08