#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 6.31 -0.10 6.12 0.01 -1.26 -1.55 114.94 124.46 1jkx s ASN 2 Ca 0.00 0.35 -0.00 0.00 -0.71 0.00 0.00 52.86 52.50 1jkx s ASN 2 Cb 0.00 -2.21 -0.03 0.00 0.41 0.00 0.00 41.25 39.43 1jkx s ASN 2 CO 0.00 -0.12 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.78 1jkx s ILE 3 N 1.67 3.69 -0.13 0.60 1.01 0.19 -0.23 121.20 128.00 1jkx s ILE 3 Ca 0.16 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1jkx s ILE 3 Cb -0.15 -2.54 0.01 0.00 0.01 0.00 0.00 42.46 39.79 1jkx s ILE 3 CO 0.09 0.56 -0.17 -0.69 0.00 0.00 0.00 174.94 174.73 1jkx s VAL 4 N -0.39 1.70 -0.12 2.92 1.01 -0.94 -0.43 120.40 124.14 1jkx s VAL 4 Ca 0.06 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 1jkx s VAL 4 Cb -0.12 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1jkx s VAL 4 CO 0.02 0.48 -0.05 -0.69 0.00 0.00 0.00 175.10 174.87 1jkx s VAL 5 N 1.03 3.85 -0.16 2.92 1.01 -0.80 -0.50 120.40 127.74 1jkx s VAL 5 Ca -0.04 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 1jkx s VAL 5 Cb -0.15 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 1jkx s VAL 5 CO -0.04 0.54 -0.01 -0.76 0.00 0.00 0.00 175.10 174.84 1jkx s LEU 6 N -0.17 3.42 0.25 3.92 1.02 0.61 -1.11 118.68 126.63 1jkx s LEU 6 Ca 0.03 -0.06 0.01 0.00 0.02 0.00 0.00 54.13 54.13 1jkx s LEU 6 Cb -0.13 -1.84 -0.05 0.00 0.02 0.00 0.00 46.19 44.20 1jkx s LEU 6 CO 0.03 0.17 0.10 0.27 0.02 0.00 0.00 176.35 176.94 1jkx s ILE 7 N 0.34 0.48 0.00 -0.59 -4.36 0.52 -0.71 121.20 116.89 1jkx s ILE 7 Ca -0.02 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 1jkx s ILE 7 Cb -0.14 -2.60 0.00 0.00 1.25 0.00 0.00 42.46 40.98 1jkx s ILE 7 CO 0.02 -0.02 0.00 -1.20 0.24 0.00 0.00 174.94 173.98 1jkx n SER 8 N -0.43 0.77 0.00 4.36 7.64 -0.93 -3.39 113.62 121.64 1jkx n SER 8 Ca 0.00 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1jkx n SER 8 Cb 0.66 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 64.14 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 0.50 4.53 0.25 0.23 0.00 -1.26 -4.54 105.19 104.91 1jkx n GLY 9 Ca 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.41 0.00 1.61 -0.73 -1.93 -0.00 115.58 114.11 1jkx h ASN 10 Ca 0.00 0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.35 1jkx h ASN 10 Cb 0.00 0.34 0.00 0.00 0.27 0.00 0.00 38.32 38.93 1jkx h ASN 10 CO 0.00 -0.17 0.00 0.61 -0.37 0.00 0.00 177.43 177.50 1jkx n GLY 11 N -1.41 0.64 0.23 1.57 0.00 -1.26 -2.28 105.19 102.68 1jkx n GLY 11 Ca 0.10 -0.71 0.01 0.00 0.00 0.00 0.00 46.02 45.42 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 0.25 -0.15 1.61 4.64 -1.94 0.41 113.55 118.37 1jkx h SER 12 Ca 0.00 -0.06 -0.15 0.00 -0.47 0.00 0.00 61.79 61.11 1jkx h SER 12 Cb 0.10 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1jkx h SER 12 CO 0.00 0.46 -0.49 0.78 -0.87 0.00 0.00 176.83 176.71 1jkx h ASN 13 N 0.24 0.69 -0.75 4.97 2.35 -1.93 -2.11 115.58 119.04 1jkx h ASN 13 Ca 0.04 -0.60 0.10 0.00 -0.55 0.00 0.00 56.30 55.29 1jkx h ASN 13 Cb 0.49 -0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.58 1jkx h ASN 13 CO 0.03 1.17 0.39 0.25 -1.65 0.00 0.00 177.43 177.62 1jkx h LEU 14 N 0.25 0.51 -0.60 1.61 5.85 -1.77 -1.62 115.31 119.53 1jkx h LEU 14 Ca -0.02 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1jkx h LEU 14 Cb 1.12 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1jkx h LEU 14 CO 0.10 0.28 0.34 -0.61 -0.34 0.00 0.00 178.44 178.22 1jkx h GLN 15 N 0.64 0.83 -0.38 1.25 5.75 -0.70 0.18 115.11 122.68 1jkx h GLN 15 Ca 0.37 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.77 1jkx h GLN 15 Cb 0.41 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 1jkx h GLN 15 CO -0.28 0.62 0.16 0.00 -2.65 0.00 0.00 178.83 176.68 1jkx h ALA 16 N 1.17 1.56 -0.04 3.38 0.00 -0.70 0.18 119.26 124.80 1jkx h ALA 16 Ca 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1jkx h ALA 16 Cb 0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1jkx h ALA 16 CO -0.04 0.35 -0.07 0.82 0.00 0.00 0.00 179.25 180.31 1jkx h ILE 17 N 0.54 1.42 -0.47 0.00 2.04 -0.66 -1.64 117.51 118.73 1jkx h ILE 17 Ca 0.13 -1.34 0.06 0.00 1.00 0.00 0.00 64.86 64.71 1jkx h ILE 17 Cb 0.11 2.22 -0.05 0.00 -0.74 0.00 0.00 36.82 38.36 1jkx h ILE 17 CO -0.01 0.36 0.18 0.40 0.00 0.00 0.00 178.15 179.08 1jkx h ILE 18 N -0.39 0.87 -0.74 -0.67 2.04 -0.53 -1.14 117.51 116.94 1jkx h ILE 18 Ca 0.00 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1jkx h ILE 18 Cb 0.62 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1jkx h ILE 18 CO 0.02 0.07 0.49 0.44 0.00 0.00 0.00 178.15 179.16 1jkx h ASP 19 N 0.37 0.83 0.43 1.72 3.32 -0.63 -1.53 116.42 120.93 1jkx h ASP 19 Ca 0.22 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.17 1jkx h ASP 19 Cb 0.21 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1jkx h ASP 19 CO -0.21 0.60 -0.42 0.00 -1.72 0.00 0.00 179.24 177.49 1jkx h ALA 20 N 1.28 1.30 -0.20 3.45 0.00 -0.69 -2.20 119.26 122.20 1jkx h ALA 20 Ca 0.28 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 1jkx h ALA 20 Cb -0.09 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1jkx h ALA 20 CO -0.07 0.52 -0.59 0.00 0.00 0.00 0.00 179.25 179.11 1jkx h LYS 22 N 0.49 0.83 -0.00 0.00 3.64 -0.83 -1.68 116.57 119.01 1jkx h LYS 22 Ca -0.00 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1jkx h LYS 22 Cb 1.17 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1jkx h LYS 22 CO 0.12 0.80 -0.08 0.25 -2.27 0.00 0.00 179.45 178.26 1jkx n THR 23 N -4.24 0.00 -1.25 1.00 -2.24 -0.87 -4.90 114.28 101.79 1jkx n THR 23 Ca 0.03 -0.03 -0.08 0.00 -2.27 0.00 0.00 64.05 61.69 1jkx n THR 23 Cb 0.27 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.22 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 -1.12 -4.19 -0.10 3.42 5.15 -0.63 -4.87 115.26 112.92 1jkx n ASN 24 Ca 0.14 0.21 -0.08 0.00 -0.60 0.00 0.00 54.58 54.25 1jkx n ASN 24 Cb 0.27 -2.44 0.08 0.00 -0.53 0.00 0.00 39.78 37.16 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 0.07 0.81 -4.96 1.20 1.79 -1.03 -3.35 116.57 111.09 1jkx h LYS 25 Ca -0.17 -0.33 -0.64 0.00 -2.18 0.00 0.00 60.65 57.33 1jkx h LYS 25 Cb 0.61 -0.04 -0.18 0.00 -1.58 0.00 0.00 32.23 31.04 1jkx h LYS 25 CO 0.25 0.95 -0.55 0.42 -1.08 0.00 0.00 179.45 179.45 1jkx s ILE 26 N -4.62 5.03 -1.33 1.86 1.01 -0.68 -4.82 121.20 117.66 1jkx s ILE 26 Ca -0.10 0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.51 1jkx s ILE 26 Cb 0.13 -3.37 0.13 0.00 0.01 0.00 0.00 42.46 39.35 1jkx s ILE 26 CO 0.84 0.30 1.93 0.29 0.00 0.00 0.00 174.94 178.30 1jkx n LYS 27 N 4.82 3.36 -2.73 2.79 5.02 -1.26 -4.33 118.16 125.83 1jkx n LYS 27 Ca -0.15 -3.28 0.00 0.00 -2.02 0.00 0.00 58.31 52.87 1jkx n LYS 27 Cb 0.52 -3.07 0.01 0.00 -0.02 0.00 0.00 35.03 32.47 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 3.42 0.67 2.91 0.72 0.00 -1.26 -4.53 105.19 107.13 1jkx n GLY 28 Ca 0.43 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.20 0.04 -0.45 2.61 2.01 -0.60 -4.71 115.64 112.34 1jkx s THR 29 Ca 0.13 -0.29 -0.27 0.00 0.31 0.00 0.00 61.69 61.56 1jkx s THR 29 Cb -0.01 -0.10 0.03 0.00 0.01 0.00 0.00 72.50 72.43 1jkx s THR 29 CO 0.01 -0.16 1.00 -0.69 -0.69 0.00 0.00 174.62 174.09 1jkx s VAL 30 N -0.47 4.39 -0.07 3.82 1.01 -1.26 -0.64 120.40 127.18 1jkx s VAL 30 Ca -0.05 1.00 0.14 0.00 0.00 0.00 0.00 61.98 63.07 1jkx s VAL 30 Cb -0.03 -4.48 -0.11 0.00 0.00 0.00 0.00 36.38 31.76 1jkx s VAL 30 CO -0.00 -0.85 1.07 0.03 0.00 0.00 0.00 175.10 175.35 1jkx h ARG 31 N 9.02 0.00 -2.26 2.72 2.47 -1.11 -3.47 114.38 121.75 1jkx h ARG 31 Ca -0.23 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.48 1jkx h ARG 31 Cb 1.07 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 29.22 1jkx h ARG 31 CO 1.06 0.52 0.28 0.00 0.56 0.00 0.00 179.97 182.39 1jkx s ALA 32 N -2.84 -1.75 -0.08 0.04 0.00 -1.24 -3.86 121.76 112.03 1jkx s ALA 32 Ca -0.00 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.05 1jkx s ALA 32 Cb 0.08 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.43 1jkx s ALA 32 CO 0.80 -0.52 -0.14 0.08 0.00 0.00 0.00 175.76 175.98 1jkx s VAL 33 N -2.16 1.30 -0.02 0.00 1.01 0.00 -1.91 120.40 118.62 1jkx s VAL 33 Ca -0.04 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.43 1jkx s VAL 33 Cb -0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1jkx s VAL 33 CO -0.00 0.40 -0.12 -0.36 0.00 0.00 0.00 175.10 175.02 1jkx s PHE 34 N 0.84 2.76 0.02 5.22 0.40 -0.26 -1.34 117.98 125.62 1jkx s PHE 34 Ca -0.11 -0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.11 1jkx s PHE 34 Cb -0.15 -1.60 -0.02 0.00 0.51 0.00 0.00 43.02 41.75 1jkx s PHE 34 CO 0.01 0.27 -0.04 0.45 0.70 0.00 0.00 175.22 176.62 1jkx s SER 35 N -1.08 0.33 0.00 1.36 0.15 -0.42 -0.35 113.70 113.69 1jkx s SER 35 Ca 0.14 -0.51 0.24 0.00 0.70 0.00 0.00 55.95 56.51 1jkx s SER 35 Cb -0.11 0.09 0.33 0.00 -1.71 0.00 0.00 66.02 64.63 1jkx s SER 35 CO 0.04 -0.29 1.35 -0.46 1.20 0.00 0.00 173.24 175.07 1jkx n ASN 36 N 1.57 3.19 -3.91 5.45 6.94 -1.22 -1.34 115.26 125.95 1jkx n ASN 36 Ca -0.24 -1.98 -0.27 0.00 -0.02 0.00 0.00 54.58 52.07 1jkx n ASN 36 Cb 0.55 -0.13 -0.17 0.00 -2.36 0.00 0.00 39.78 37.67 1jkx n ASN 36 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1jkx s LYS 37 N -1.75 1.50 0.42 -3.83 -0.14 -1.26 -4.52 119.74 110.17 1jkx s LYS 37 Ca 0.34 -0.25 0.11 0.00 -1.36 0.00 0.00 55.97 54.81 1jkx s LYS 37 Cb 0.21 -1.56 0.92 0.00 -1.68 0.00 0.00 37.83 35.72 1jkx s LYS 37 CO 0.31 -0.25 1.99 0.00 -0.76 0.00 0.00 175.35 176.64 1jkx h ALA 38 N 8.12 1.66 -0.11 5.17 0.00 -1.94 -2.75 119.26 129.41 1jkx h ALA 38 Ca -0.30 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1jkx h ALA 38 Cb 1.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1jkx h ALA 38 CO 0.41 0.26 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 1jkx n ASP 39 N -4.36 1.16 -4.69 0.00 5.68 -1.26 -4.92 116.55 108.15 1jkx n ASP 39 Ca -0.01 -1.61 -0.43 0.00 -0.50 0.00 0.00 54.79 52.23 1jkx n ASP 39 Cb 0.20 -0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.07 1jkx n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jkx n ALA 40 N -0.02 2.11 0.29 2.12 0.00 -1.04 -4.84 120.51 119.14 1jkx n ALA 40 Ca 0.16 0.36 0.18 0.00 0.00 0.00 0.00 53.44 54.14 1jkx n ALA 40 Cb 0.25 -2.52 0.86 0.00 0.00 0.00 0.00 19.45 18.04 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 7.57 0.00 0.00 0.00 3.57 -1.70 -2.16 116.94 124.22 1jkx h PHE 41 Ca -0.45 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.04 1jkx h PHE 41 Cb 1.23 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.97 1jkx h PHE 41 CO 0.72 0.03 -0.02 0.78 -2.23 0.00 0.00 178.31 177.59 1jkx h GLY 42 N 1.18 0.00 1.46 2.40 0.00 -0.56 -0.09 103.07 107.46 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 0.00 0.00 -0.22 1.41 0.00 0.00 0.00 176.54 177.73 1jkx h LEU 43 N 0.00 0.63 -0.45 3.11 3.38 -1.65 -1.75 115.31 118.58 1jkx h LEU 43 Ca -0.00 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 1jkx h LEU 43 Cb 0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1jkx h LEU 43 CO 0.00 0.84 -0.24 -0.08 0.09 0.00 0.00 178.44 179.06 1jkx h GLU 44 N 0.55 0.96 -0.81 1.13 4.57 -1.17 -0.06 114.58 119.76 1jkx h GLU 44 Ca 0.08 -0.43 0.04 0.00 -1.18 0.00 0.00 59.36 57.87 1jkx h GLU 44 Cb 0.68 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.20 1jkx h GLU 44 CO 0.05 1.10 0.52 0.00 -1.18 0.00 0.00 179.01 179.49 1jkx h ARG 45 N 0.80 0.97 -0.19 1.92 3.08 -1.06 -0.13 114.38 119.78 1jkx h ARG 45 Ca 0.10 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1jkx h ARG 45 Cb 0.82 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1jkx h ARG 45 CO 0.07 0.64 -0.02 0.00 -1.07 0.00 0.00 179.97 179.59 1jkx h ALA 46 N 1.35 0.26 -0.85 0.04 0.00 -1.03 -2.57 119.26 116.46 1jkx h ALA 46 Ca 0.33 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1jkx h ALA 46 Cb 0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1jkx h ALA 46 CO -0.12 0.00 0.55 0.00 0.00 0.00 0.00 179.25 179.68 1jkx h ARG 47 N 0.09 1.04 0.00 0.00 3.08 -0.60 -0.12 114.38 117.88 1jkx h ARG 47 Ca 0.05 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1jkx h ARG 47 Cb 0.44 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1jkx h ARG 47 CO 0.01 0.69 -0.16 1.96 -1.07 0.00 0.00 179.97 181.41 1jkx h GLN 48 N 1.08 0.00 -0.01 0.04 4.20 -0.96 -1.57 115.11 117.89 1jkx h GLN 48 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 1jkx h GLN 48 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1jkx h GLN 48 CO -0.11 0.16 -0.07 0.00 -0.67 0.00 0.00 178.83 178.15 1jkx n ALA 49 N -2.29 2.70 -1.97 3.87 0.00 -0.40 -4.92 120.51 117.51 1jkx n ALA 49 Ca -0.01 -0.43 -0.05 0.00 0.00 0.00 0.00 53.44 52.94 1jkx n ALA 49 Cb 0.29 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 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 1.22 0.24 3.79 0.00 0.00 -0.59 -5.03 105.19 104.82 1jkx n GLY 50 Ca 0.17 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.25 5.39 0.32 -0.61 1.01 -0.19 -5.02 121.20 119.86 1jkx s ILE 51 Ca 0.00 0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.53 1jkx s ILE 51 Cb 0.00 -3.40 -0.12 0.00 0.01 0.00 0.00 42.46 38.95 1jkx s ILE 51 CO 0.00 0.53 1.48 0.00 0.00 0.00 0.00 174.94 176.94 1jkx n ALA 52 N 2.79 2.03 -2.54 9.38 0.00 -1.25 -4.17 120.51 126.74 1jkx n ALA 52 Ca -0.18 0.37 -0.24 0.00 0.00 0.00 0.00 53.44 53.39 1jkx n ALA 52 Cb 0.53 -2.38 -0.12 0.00 0.00 0.00 0.00 19.45 17.48 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 -0.53 1.70 -0.05 0.00 -4.23 -1.26 -0.82 115.64 110.45 1jkx s THR 53 Ca 0.60 -1.54 -0.05 0.00 -1.18 0.00 0.00 61.69 59.52 1jkx s THR 53 Cb -0.53 -1.55 0.01 0.00 1.34 0.00 0.00 72.50 71.77 1jkx s THR 53 CO 0.56 -0.07 0.14 -1.00 -0.54 0.00 0.00 174.62 173.71 1jkx s HIS 54 N -1.17 -0.14 -0.07 3.99 3.76 -0.45 -4.95 115.29 116.25 1jkx s HIS 54 Ca 0.06 0.35 0.03 0.00 -0.15 0.00 0.00 55.06 55.35 1jkx s HIS 54 Cb -0.10 0.05 0.01 0.00 1.11 0.00 0.00 32.58 33.65 1jkx s HIS 54 CO 0.04 -0.09 -0.15 0.99 -0.85 0.00 0.00 174.74 174.69 1jkx s THR 55 N -0.03 1.30 -0.25 1.30 2.01 -1.26 -1.30 115.64 117.41 1jkx s THR 55 Ca -0.01 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.43 1jkx s THR 55 Cb -0.01 -1.17 0.06 0.00 0.01 0.00 0.00 72.50 71.39 1jkx s THR 55 CO 0.00 0.39 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.46 1jkx s LEU 56 N 0.52 3.25 -0.04 4.42 1.02 -0.45 -4.97 118.68 122.43 1jkx s LEU 56 Ca -0.14 -1.33 -0.19 0.00 0.02 0.00 0.00 54.13 52.50 1jkx s LEU 56 Cb -0.15 -1.49 -0.05 0.00 0.02 0.00 0.00 46.19 44.52 1jkx s LEU 56 CO 0.04 -0.19 0.53 -0.63 0.02 0.00 0.00 176.35 176.12 1jkx s ILE 57 N 1.15 5.02 0.24 -0.59 -1.09 -1.26 -4.26 121.20 120.41 1jkx s ILE 57 Ca -0.08 1.09 -0.05 0.00 -2.23 0.00 0.00 60.65 59.38 1jkx s ILE 57 Cb -0.19 -3.86 0.20 0.00 -1.58 0.00 0.00 42.46 37.03 1jkx s ILE 57 CO -0.06 0.41 1.75 0.00 -1.23 0.00 0.00 174.94 175.81 1jkx h ALA 58 N 5.83 1.04 0.00 9.38 0.00 -1.94 -1.63 119.26 131.94 1jkx h ALA 58 Ca -0.45 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1jkx h ALA 58 Cb 1.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1jkx h ALA 58 CO 0.70 -0.16 0.00 -1.13 0.00 0.00 0.00 179.25 178.66 1jkx n SER 59 N -4.96 0.15 -0.36 0.00 3.41 -1.26 -1.25 113.62 109.36 1jkx n SER 59 Ca 0.13 0.57 0.14 0.00 -0.26 0.00 0.00 58.87 59.45 1jkx n SER 59 Cb 0.37 -0.59 0.52 0.00 -0.26 0.00 0.00 64.21 64.25 1jkx n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jkx n ALA 60 N -1.57 2.72 -2.55 7.33 0.00 -0.61 -4.85 120.51 120.98 1jkx n ALA 60 Ca -0.00 -0.41 -0.24 0.00 0.00 0.00 0.00 53.44 52.80 1jkx n ALA 60 Cb 0.02 -1.19 -0.13 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.16 1.66 -2.14 0.00 0.08 -0.38 -5.04 117.98 110.00 1jkx s PHE 61 Ca 0.34 -0.39 0.21 0.00 0.12 0.00 0.00 56.93 57.22 1jkx s PHE 61 Cb 0.21 -0.96 0.56 0.00 -0.57 0.00 0.00 43.02 42.25 1jkx s PHE 61 CO 0.39 0.12 1.47 -0.25 -0.10 0.00 0.00 175.22 176.85 1jkx n ASP 62 N 1.56 3.42 -3.55 1.36 8.00 -1.26 -4.95 116.55 121.13 1jkx n ASP 62 Ca -0.18 -1.98 -0.11 0.00 0.71 0.00 0.00 54.79 53.22 1jkx n ASP 62 Cb 0.54 -0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 41.22 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 -1.15 -0.40 0.42 -2.24 1.04 -1.26 -5.01 113.70 105.10 1jkx s SER 63 Ca 0.42 0.34 0.12 0.00 0.48 0.00 0.00 55.95 57.31 1jkx s SER 63 Cb 0.23 0.35 0.91 0.00 0.10 0.00 0.00 66.02 67.60 1jkx s SER 63 CO 0.30 -0.44 1.97 0.03 0.98 0.00 0.00 173.24 176.08 1jkx h ARG 64 N 2.47 0.15 -0.38 4.02 3.08 -1.98 -2.04 114.38 119.70 1jkx h ARG 64 Ca -0.20 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.76 1jkx h ARG 64 Cb 1.18 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 1jkx h ARG 64 CO 0.32 0.27 -0.00 0.93 -1.07 0.00 0.00 179.97 180.42 1jkx h GLU 65 N 0.14 0.67 -0.58 0.04 3.07 -1.99 -2.15 114.58 113.78 1jkx h GLU 65 Ca 0.03 -0.21 -0.08 0.00 -0.50 0.00 0.00 59.36 58.60 1jkx h GLU 65 Cb 0.30 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1jkx h GLU 65 CO 0.02 0.77 0.05 0.00 -1.40 0.00 0.00 179.01 178.45 1jkx h ALA 66 N 0.88 0.99 0.27 3.43 0.00 -1.84 -1.24 119.26 121.75 1jkx h ALA 66 Ca 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1jkx h ALA 66 Cb 0.47 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1jkx h ALA 66 CO 0.02 0.62 -0.13 -0.92 0.00 0.00 0.00 179.25 178.84 1jkx h TYR 67 N 0.90 -0.34 0.00 0.00 5.03 -1.25 -2.08 116.97 119.22 1jkx h TYR 67 Ca 0.17 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.43 1jkx h TYR 67 Cb 0.46 0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 1jkx h TYR 67 CO 0.03 -0.21 -0.23 -0.44 -1.32 0.00 0.00 178.16 175.99 1jkx h ASP 68 N -0.36 0.00 -0.21 -2.11 5.19 -1.28 -0.69 116.42 116.96 1jkx h ASP 68 Ca -0.04 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 1jkx h ASP 68 Cb 0.28 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 1jkx h ASP 68 CO 0.06 0.23 0.06 -0.09 -3.12 0.00 0.00 179.24 176.38 1jkx h ARG 69 N 0.00 0.33 -0.43 3.56 2.43 -0.83 0.14 114.38 119.58 1jkx h ARG 69 Ca -0.00 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 1jkx h ARG 69 Cb 0.52 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1jkx h ARG 69 CO 0.03 0.43 -0.23 1.49 -1.51 0.00 0.00 179.97 180.18 1jkx h GLU 70 N 0.17 0.89 -0.37 0.20 4.81 -1.05 -1.70 114.58 117.53 1jkx h GLU 70 Ca 0.07 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1jkx h GLU 70 Cb 0.25 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1jkx h GLU 70 CO -0.00 1.02 0.23 1.25 -0.73 0.00 0.00 179.01 180.79 1jkx h LEU 71 N 0.77 0.43 -0.55 1.64 5.85 -0.90 0.58 115.31 123.12 1jkx h LEU 71 Ca 0.10 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1jkx h LEU 71 Cb 0.78 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1jkx h LEU 71 CO 0.06 0.33 0.28 0.40 -0.34 0.00 0.00 178.44 179.17 1jkx h ILE 72 N 0.49 1.20 -0.32 4.05 2.04 -0.89 0.41 117.51 124.48 1jkx h ILE 72 Ca 0.13 -0.54 0.02 0.00 1.00 0.00 0.00 64.86 65.47 1jkx h ILE 72 Cb -0.03 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1jkx h ILE 72 CO -0.03 0.22 0.16 -0.74 0.00 0.00 0.00 178.15 177.77 1jkx h HIS 73 N 0.74 0.30 -0.16 1.37 2.76 -0.80 -0.99 115.15 118.37 1jkx h HIS 73 Ca 0.19 0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.24 1jkx h HIS 73 Cb 0.10 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1jkx h HIS 73 CO -0.01 0.16 -0.41 0.93 -1.30 0.00 0.00 177.93 177.31 1jkx h GLU 74 N 0.34 0.56 -0.44 5.26 4.39 -0.70 -3.24 114.58 120.74 1jkx h GLU 74 Ca 0.13 -0.39 0.01 0.00 0.34 0.00 0.00 59.36 59.46 1jkx h GLU 74 Cb 0.04 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1jkx h GLU 74 CO -0.09 1.00 0.28 0.82 -1.16 0.00 0.00 179.01 179.86 1jkx h ILE 75 N 0.20 1.09 0.00 3.13 2.04 -0.83 -2.38 117.51 120.76 1jkx h ILE 75 Ca -0.01 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1jkx h ILE 75 Cb 1.02 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1jkx h ILE 75 CO 0.09 0.10 0.00 0.44 0.00 0.00 0.00 178.15 178.78 1jkx h ASP 76 N 0.57 0.00 0.17 1.72 5.19 -1.23 -1.06 116.42 121.78 1jkx h ASP 76 Ca 0.17 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 1jkx h ASP 76 Cb -0.04 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.47 1jkx h ASP 76 CO -0.05 0.00 -0.03 0.24 -3.12 0.00 0.00 179.24 176.28 1jkx h MET 77 N 0.00 0.00 -0.17 3.56 2.86 -1.45 -1.15 114.93 118.57 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 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1jkx h MET 77 CO 0.00 0.03 0.00 0.66 1.06 0.00 0.00 176.91 178.66 1jkx n TYR 78 N -3.46 0.21 -3.91 -0.22 4.01 -0.40 -4.99 117.16 108.40 1jkx n TYR 78 Ca -0.02 -0.10 -0.39 0.00 -0.16 0.00 0.00 57.90 57.22 1jkx n TYR 78 Cb 0.13 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.18 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 1.02 -2.63 -1.77 -0.72 0.00 -0.44 -4.86 120.51 111.12 1jkx n ALA 79 Ca 0.17 -0.44 -0.38 0.00 0.00 0.00 0.00 53.44 52.78 1jkx n ALA 79 Cb 0.51 -2.69 -0.00 0.00 0.00 0.00 0.00 19.45 17.27 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 -6.60 3.84 0.06 0.00 0.04 -1.26 -4.68 135.00 126.41 1jkx s PRO 80 Ca 0.41 2.00 0.22 0.00 0.04 0.00 0.00 61.00 63.67 1jkx s PRO 80 Cb -0.20 -2.60 -0.20 0.00 0.04 0.00 0.00 34.50 31.54 1jkx s PRO 80 CO 0.93 -0.55 0.71 -0.25 0.04 0.00 0.00 177.00 177.88 1jkx n ASP 81 N -0.16 0.35 -3.70 6.66 8.00 0.68 -4.91 116.55 123.47 1jkx n ASP 81 Ca 0.05 0.13 -0.12 0.00 0.71 0.00 0.00 54.79 55.56 1jkx n ASP 81 Cb 0.45 1.37 -0.09 0.00 -0.02 0.00 0.00 41.12 42.83 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 -0.00 -0.19 2.53 0.11 -1.10 -4.81 120.40 113.48 1jkx s VAL 82 Ca -0.05 0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 58.99 1jkx s VAL 82 Cb 0.12 -0.70 -0.01 0.00 -1.53 0.00 0.00 36.38 34.25 1jkx s VAL 82 CO 0.86 0.01 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.89 1jkx s VAL 83 N 0.56 3.39 -0.23 2.04 1.01 0.13 -2.23 120.40 125.08 1jkx s VAL 83 Ca -0.02 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 1jkx s VAL 83 Cb -0.04 -2.51 -0.00 0.00 0.00 0.00 0.00 36.38 33.83 1jkx s VAL 83 CO -0.03 0.46 -0.05 -0.69 0.00 0.00 0.00 175.10 174.79 1jkx s VAL 84 N 1.02 3.28 -0.30 2.92 1.01 0.35 -0.83 120.40 127.86 1jkx s VAL 84 Ca 0.00 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.19 1jkx s VAL 84 Cb -0.15 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1jkx s VAL 84 CO -0.00 0.39 0.65 -0.76 0.00 0.00 0.00 175.10 175.38 1jkx s LEU 85 N 1.45 4.12 -0.55 3.92 1.43 0.11 -0.28 118.68 128.88 1jkx s LEU 85 Ca 0.05 0.51 0.04 0.00 -1.03 0.00 0.00 54.13 53.71 1jkx s LEU 85 Cb -0.15 -2.86 0.16 0.00 0.03 0.00 0.00 46.19 43.38 1jkx s LEU 85 CO -0.04 -0.48 0.40 0.00 0.23 0.00 0.00 176.35 176.46 1jkx s ALA 86 N 2.64 2.63 0.00 4.21 0.00 0.12 -3.51 121.76 127.85 1jkx s ALA 86 Ca 0.26 -3.12 0.00 0.00 0.00 0.00 0.00 51.96 49.10 1jkx s ALA 86 Cb -0.15 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.07 1jkx s ALA 86 CO 0.11 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.24 1jkx n GLY 87 N 2.53 0.56 3.62 0.00 0.00 -1.26 -4.43 105.19 106.20 1jkx n GLY 87 Ca 0.22 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 3.05 -0.72 1.61 5.36 -1.25 -2.19 117.98 121.84 1jkx s PHE 88 Ca 0.00 0.94 -0.01 0.00 -0.96 0.00 0.00 56.93 56.90 1jkx s PHE 88 Cb 0.00 -3.84 0.41 0.00 -0.34 0.00 0.00 43.02 39.25 1jkx s PHE 88 CO 0.00 -0.90 1.98 -1.33 -1.46 0.00 0.00 175.22 173.51 1jkx n MET 89 N 7.05 2.77 -3.88 10.12 2.81 -1.26 -4.89 117.12 129.83 1jkx n MET 89 Ca 0.10 -3.44 -0.17 0.00 -1.81 0.00 0.00 57.70 52.38 1jkx n MET 89 Cb 0.48 -2.28 -0.16 0.00 -0.71 0.00 0.00 33.22 30.54 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 -3.91 0.25 0.27 0.03 3.52 -1.26 -5.12 118.95 112.73 1jkx s ARG 90 Ca 0.59 0.12 -0.31 0.00 -0.13 0.00 0.00 55.73 56.00 1jkx s ARG 90 Cb 0.48 -0.49 -0.12 0.00 -1.56 0.00 0.00 34.95 33.26 1jkx s ARG 90 CO -0.16 -0.17 1.64 -0.89 -0.81 0.00 0.00 175.30 174.91 1jkx n ILE 91 N 4.30 0.72 -3.70 4.11 5.41 -1.26 -4.98 119.36 123.95 1jkx n ILE 91 Ca -0.24 -0.18 -0.36 0.00 1.00 0.00 0.00 62.75 62.97 1jkx n ILE 91 Cb 0.50 -1.98 -0.07 0.00 -0.71 0.00 0.00 39.64 37.38 1jkx n ILE 91 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1jkx s LEU 92 N 0.00 4.28 0.83 1.39 1.43 -1.26 -5.08 118.68 120.27 1jkx s LEU 92 Ca 0.67 0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 54.07 1jkx s LEU 92 Cb -0.49 -2.19 0.09 0.00 0.03 0.00 0.00 46.19 43.63 1jkx s LEU 92 CO 0.44 0.22 1.11 -0.94 0.23 0.00 0.00 176.35 177.41 1jkx s SER 93 N -0.02 3.87 0.39 2.29 1.04 -1.26 -4.78 113.70 115.22 1jkx s SER 93 Ca 0.13 1.94 0.09 0.00 0.48 0.00 0.00 55.95 58.59 1jkx s SER 93 Cb -0.12 -2.53 0.85 0.00 0.10 0.00 0.00 66.02 64.33 1jkx s SER 93 CO 0.02 -2.46 1.97 -0.65 0.98 0.00 0.00 173.24 173.09 1jkx h PRO 94 N -1.43 0.60 -0.79 4.02 0.11 -1.99 -0.61 132.00 131.91 1jkx h PRO 94 Ca -0.44 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1jkx h PRO 94 Cb 1.25 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 1jkx h PRO 94 CO 0.48 0.40 0.39 0.00 -0.21 0.00 0.00 178.00 179.06 1jkx h ALA 95 N 1.65 1.21 -0.17 -0.75 0.00 -1.99 -0.09 119.26 119.11 1jkx h ALA 95 Ca 0.30 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1jkx h ALA 95 Cb 0.36 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1jkx h ALA 95 CO -0.10 0.62 -0.08 0.35 0.00 0.00 0.00 179.25 180.04 1jkx h PHE 96 N 1.12 0.42 -0.79 0.00 3.04 -1.50 -1.91 116.94 117.32 1jkx h PHE 96 Ca 0.27 -0.10 0.03 0.00 3.98 0.00 0.00 57.97 62.15 1jkx h PHE 96 Cb 0.09 -0.10 -0.05 0.00 2.56 0.00 0.00 35.95 38.45 1jkx h PHE 96 CO 0.01 0.67 0.50 0.28 -2.02 0.00 0.00 178.31 177.76 1jkx h VAL 97 N 0.04 1.13 -0.53 1.41 2.07 -0.93 -2.45 116.25 117.00 1jkx h VAL 97 Ca 0.04 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 1jkx h VAL 97 Cb 0.56 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1jkx h VAL 97 CO 0.03 0.18 -0.02 0.28 0.02 0.00 0.00 177.57 178.06 1jkx h SER 98 N 0.99 0.93 -0.50 0.57 0.02 -0.99 -2.00 113.55 112.58 1jkx h SER 98 Ca 0.31 -0.32 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1jkx h SER 98 Cb -0.01 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 1jkx h SER 98 CO -0.10 1.02 0.33 -0.74 -1.14 0.00 0.00 176.83 176.20 1jkx h HIS 99 N 0.82 0.58 -0.42 3.45 6.17 -0.89 -2.28 115.15 122.58 1jkx h HIS 99 Ca 0.15 0.01 -0.23 0.00 0.71 0.00 0.00 60.37 61.01 1jkx h HIS 99 Cb 0.56 -0.20 -0.14 0.00 2.52 0.00 0.00 27.41 30.15 1jkx h HIS 99 CO 0.04 0.35 -0.05 0.66 0.71 0.00 0.00 177.93 179.65 1jkx n TYR 100 N -4.47 1.31 -1.67 5.26 4.01 -0.99 -5.04 117.16 115.58 1jkx n TYR 100 Ca 0.05 -1.69 -0.46 0.00 -0.16 0.00 0.00 57.90 55.64 1jkx n TYR 100 Cb 0.10 -0.54 -0.04 0.00 -0.31 0.00 0.00 39.34 38.55 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 -1.11 1.30 -0.29 -0.72 0.00 -0.77 -1.34 120.51 117.57 1jkx n ALA 101 Ca 0.36 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.20 1jkx n ALA 101 Cb 1.07 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 3.69 1.78 0.87 0.00 0.00 -1.26 -4.80 105.19 105.45 1jkx n GLY 102 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.07 1.61 1.85 -0.45 -4.55 116.66 109.36 1jkx n ARG 103 Ca 0.00 -1.83 -0.33 0.00 -1.00 0.00 0.00 57.85 54.69 1jkx n ARG 103 Cb 0.00 -0.53 -0.16 0.00 -1.05 0.00 0.00 32.46 30.72 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 2.31 0.17 2.89 2.96 -1.07 0.18 118.68 125.43 1jkx s LEU 104 Ca 0.21 -0.59 0.09 0.00 -0.22 0.00 0.00 54.13 53.62 1jkx s LEU 104 Cb 0.23 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.34 1jkx s LEU 104 CO -0.07 -0.00 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.08 1jkx s LEU 105 N 1.33 2.93 0.04 -0.68 1.43 -0.01 -1.25 118.68 122.47 1jkx s LEU 105 Ca 0.05 -0.57 -0.06 0.00 -1.03 0.00 0.00 54.13 52.52 1jkx s LEU 105 Cb -0.13 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1jkx s LEU 105 CO -0.11 0.12 0.11 0.21 0.23 0.00 0.00 176.35 176.91 1jkx s ASN 106 N -2.70 0.16 -0.08 2.29 2.47 -0.55 -0.71 114.94 115.82 1jkx s ASN 106 Ca 0.24 -0.52 0.03 0.00 0.42 0.00 0.00 52.86 53.03 1jkx s ASN 106 Cb -0.09 0.23 0.01 0.00 -1.45 0.00 0.00 41.25 39.95 1jkx s ASN 106 CO 0.14 -0.52 -0.18 -0.51 -3.72 0.00 0.00 177.10 172.32 1jkx s ILE 107 N -2.62 1.59 -0.13 -5.21 2.07 -1.23 -1.16 121.20 114.50 1jkx s ILE 107 Ca -0.05 -0.74 0.02 0.00 -1.41 0.00 0.00 60.65 58.47 1jkx s ILE 107 Cb -0.01 -1.41 0.01 0.00 0.13 0.00 0.00 42.46 41.19 1jkx s ILE 107 CO -0.05 0.46 -0.19 -2.28 -1.91 0.00 0.00 174.94 170.97 1jkx s HIS 108 N 0.53 2.39 -1.10 3.50 5.65 0.73 -4.76 115.29 122.23 1jkx s HIS 108 Ca -0.16 -1.21 -0.07 0.00 0.25 0.00 0.00 55.06 53.87 1jkx s HIS 108 Cb -0.17 -1.67 -0.08 0.00 -1.18 0.00 0.00 32.58 29.48 1jkx s HIS 108 CO 0.06 -0.58 2.52 -0.35 -0.65 0.00 0.00 174.74 175.74 1jkx n PRO 109 N 4.20 2.66 -3.58 2.88 -0.04 -1.26 -0.04 135.00 139.82 1jkx n PRO 109 Ca -0.19 -1.67 -0.09 0.00 -0.04 0.00 0.00 63.50 61.51 1jkx n PRO 109 Cb 0.51 -2.53 -0.02 0.00 -0.04 0.00 0.00 33.50 31.43 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 2.81 -0.39 -1.11 3.54 1.04 -0.28 -4.56 113.70 114.75 1jkx s SER 110 Ca 0.52 -0.18 -0.16 0.00 0.48 0.00 0.00 55.95 56.61 1jkx s SER 110 Cb 0.15 0.55 0.14 0.00 0.10 0.00 0.00 66.02 66.96 1jkx s SER 110 CO -0.04 -0.94 1.36 -0.76 0.98 0.00 0.00 173.24 173.83 1jkx s LEU 111 N -2.74 4.86 0.60 2.42 1.43 -1.26 -3.10 118.68 120.89 1jkx s LEU 111 Ca 0.06 -2.54 -0.18 0.00 -1.03 0.00 0.00 54.13 50.44 1jkx s LEU 111 Cb -0.02 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 1jkx s LEU 111 CO -0.06 -0.93 0.85 0.18 0.23 0.00 0.00 176.35 176.62 1jkx n LEU 112 N 6.37 3.02 0.00 1.79 4.77 -1.26 -1.55 117.00 130.14 1jkx n LEU 112 Ca 0.33 0.78 0.07 0.00 -0.03 0.00 0.00 56.01 57.17 1jkx n LEU 112 Cb 0.46 -1.34 0.44 0.00 -2.33 0.00 0.00 43.42 40.65 1jkx n LEU 112 CO 0.60 -2.17 0.68 -0.81 -1.33 0.00 0.00 177.39 174.36 1jkx n PRO 113 N -0.83 0.69 -2.49 3.23 -0.04 -1.26 -4.93 135.00 129.37 1jkx n PRO 113 Ca 0.13 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.22 1jkx n PRO 113 Cb 0.48 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.56 1jkx n PRO 113 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1jkx s LYS 114 N -2.00 4.21 -1.17 0.54 2.20 -0.60 -4.10 119.74 118.83 1jkx s LYS 114 Ca 0.22 1.60 -0.28 0.00 -0.36 0.00 0.00 55.97 57.16 1jkx s LYS 114 Cb 0.10 -2.65 0.02 0.00 -1.51 0.00 0.00 37.83 33.79 1jkx s LYS 114 CO 0.17 -0.12 0.74 0.66 -0.36 0.00 0.00 175.35 176.44 1jkx n TYR 115 N 0.13 -1.66 0.56 4.03 4.01 -1.26 -4.28 117.16 118.69 1jkx n TYR 115 Ca 0.04 0.26 0.07 0.00 -0.16 0.00 0.00 57.90 58.12 1jkx n TYR 115 Cb 0.48 -3.11 0.34 0.00 -0.31 0.00 0.00 39.34 36.74 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 -4.60 0.04 0.00 -0.72 -0.04 -1.26 -4.79 135.00 123.63 1jkx n PRO 116 Ca -0.10 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1jkx n PRO 116 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.06 1.60 3.98 0.55 0.00 -1.26 -5.12 105.19 105.00 1jkx n GLY 117 Ca 0.04 -1.39 -0.20 0.00 0.00 0.00 0.00 46.02 44.48 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 3.41 -1.40 0.99 1.43 -1.26 -4.60 118.68 117.25 1jkx s LEU 118 Ca 0.00 -0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 52.91 1jkx s LEU 118 Cb 0.00 -2.81 0.03 0.00 0.03 0.00 0.00 46.19 43.44 1jkx s LEU 118 CO 0.00 -1.01 0.77 1.41 0.23 0.00 0.00 176.35 177.76 1jkx n HIS 119 N -2.17 -2.02 -0.15 0.29 8.25 -1.26 -4.91 115.22 113.24 1jkx n HIS 119 Ca 0.08 0.85 -0.08 0.00 -0.26 0.00 0.00 57.72 58.31 1jkx n HIS 119 Cb 0.59 -4.19 0.00 0.00 1.12 0.00 0.00 29.99 27.52 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 -1.94 1.18 -0.55 1.59 1.35 -1.85 -1.95 112.91 110.74 1jkx h THR 120 Ca -0.60 -0.52 -0.04 0.00 -0.55 0.00 0.00 66.41 64.70 1jkx h THR 120 Cb 1.37 0.71 -0.02 0.00 -1.73 0.00 0.00 68.15 68.47 1jkx h THR 120 CO 0.61 0.20 0.18 0.45 -0.25 0.00 0.00 175.52 176.71 1jkx h HIS 121 N 0.57 0.88 -0.34 4.73 3.86 -1.91 -1.12 115.15 121.82 1jkx h HIS 121 Ca 0.15 -0.08 0.04 0.00 -1.16 0.00 0.00 60.37 59.32 1jkx h HIS 121 Cb 0.12 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.30 1jkx h HIS 121 CO -0.01 0.74 0.12 -0.09 0.86 0.00 0.00 177.93 179.54 1jkx h ARG 122 N 0.76 0.25 -0.70 2.45 2.43 -1.91 -1.95 114.38 115.71 1jkx h ARG 122 Ca 0.18 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1jkx h ARG 122 Cb 0.26 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 1jkx h ARG 122 CO -0.01 0.17 0.18 1.96 -1.51 0.00 0.00 179.97 180.76 1jkx h GLN 123 N 0.26 1.11 -0.18 0.20 4.20 -1.08 -1.15 115.11 118.47 1jkx h GLN 123 Ca 0.15 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1jkx h GLN 123 Cb 0.13 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1jkx h GLN 123 CO -0.16 0.97 0.10 0.00 -0.67 0.00 0.00 178.83 179.07 1jkx h ALA 124 N 1.13 0.23 -0.00 3.87 0.00 -0.88 -1.30 119.26 122.30 1jkx h ALA 124 Ca 0.22 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jkx h ALA 124 Cb 0.36 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1jkx h ALA 124 CO 0.00 -0.23 0.00 1.25 0.00 0.00 0.00 179.25 180.27 1jkx h LEU 125 N 0.18 0.00 -1.61 0.00 5.85 -1.27 -1.35 115.31 117.12 1jkx h LEU 125 Ca 0.06 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 1jkx h LEU 125 Cb 0.08 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1jkx h LEU 125 CO -0.01 0.30 -0.11 -0.33 -0.34 0.00 0.00 178.44 177.95 1jkx h GLU 126 N -0.30 0.11 -0.11 1.25 5.08 -1.20 -0.95 114.58 118.47 1jkx h GLU 126 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1jkx h GLU 126 Cb 0.30 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1jkx h GLU 126 CO 0.00 0.23 0.00 0.09 -1.00 0.00 0.00 179.01 178.33 1jkx n ASN 127 N -4.35 1.33 -2.92 1.42 3.02 -0.49 -4.94 115.26 108.33 1jkx n ASN 127 Ca -0.02 -1.60 -0.21 0.00 -0.03 0.00 0.00 54.58 52.72 1jkx n ASN 127 Cb 0.22 -0.07 0.04 0.00 -0.61 0.00 0.00 39.78 39.36 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 1.08 -0.46 3.75 7.41 0.00 -0.36 -4.96 105.19 111.65 1jkx n GLY 128 Ca 0.17 0.10 -0.37 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 -2.79 5.22 0.18 1.61 1.01 -0.53 -4.94 116.67 116.43 1jkx s ASP 129 Ca 0.32 2.49 0.20 0.00 0.71 0.00 0.00 52.55 56.26 1jkx s ASP 129 Cb -0.14 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.17 1jkx s ASP 129 CO 0.39 -1.58 1.05 -0.08 0.21 0.00 0.00 175.17 175.17 1jkx h GLU 130 N 1.06 0.00 -4.48 8.23 4.81 -1.90 -3.43 114.58 118.87 1jkx h GLU 130 Ca -0.51 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.50 1jkx h GLU 130 Cb 1.30 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.50 1jkx h GLU 130 CO 0.56 0.15 -0.71 -1.83 -0.73 0.00 0.00 179.01 176.45 1jkx s GLU 131 N -3.15 0.61 0.22 1.92 -1.05 -1.26 -1.61 118.70 114.38 1jkx s GLU 131 Ca -0.00 -0.98 -0.01 0.00 -0.15 0.00 0.00 54.97 53.83 1jkx s GLU 131 Cb 0.09 -0.16 0.00 0.00 -0.44 0.00 0.00 34.13 33.62 1jkx s GLU 131 CO 0.78 -0.00 0.31 1.58 0.95 0.00 0.00 175.26 178.88 1jkx n HIS 132 N 0.84 -1.06 -3.67 4.83 -0.00 -0.21 -4.89 115.22 111.06 1jkx n HIS 132 Ca -0.18 -1.52 0.00 0.00 0.46 0.00 0.00 57.72 56.47 1jkx n HIS 132 Cb 0.57 0.35 0.00 0.00 -0.12 0.00 0.00 29.99 30.79 1jkx n HIS 132 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1jkx n GLY 133 N -0.37 -0.56 3.11 1.57 0.00 -1.26 -0.18 105.19 107.50 1jkx n GLY 133 Ca 0.01 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 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 0.14 -0.03 2.61 -1.32 -0.45 -1.12 115.64 112.47 1jkx s THR 134 Ca 0.00 -1.16 0.01 0.00 -1.21 0.00 0.00 61.69 59.33 1jkx s THR 134 Cb 0.00 -0.95 0.02 0.00 -1.51 0.00 0.00 72.50 70.06 1jkx s THR 134 CO 0.00 -0.64 -0.02 -0.44 -2.21 0.00 0.00 174.62 171.31 1jkx s SER 135 N -2.21 0.62 -0.16 8.08 0.01 0.94 -1.49 113.70 119.49 1jkx s SER 135 Ca -0.04 -0.07 -0.07 0.00 1.31 0.00 0.00 55.95 57.08 1jkx s SER 135 Cb -0.00 -0.29 -0.04 0.00 0.21 0.00 0.00 66.02 65.90 1jkx s SER 135 CO -0.05 -0.06 0.08 -0.69 0.41 0.00 0.00 173.24 172.93 1jkx s VAL 136 N 0.82 4.96 0.10 3.43 1.01 -0.25 -0.19 120.40 130.27 1jkx s VAL 136 Ca -0.09 0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 1jkx s VAL 136 Cb -0.13 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1jkx s VAL 136 CO -0.01 0.51 0.14 -1.38 0.00 0.00 0.00 175.10 174.36 1jkx s HIS 137 N -0.10 0.37 0.21 5.22 -0.00 -0.31 -0.39 115.29 120.29 1jkx s HIS 137 Ca 0.08 -0.81 -0.29 0.00 -0.00 0.00 0.00 55.06 54.03 1jkx s HIS 137 Cb -0.12 -0.19 -0.08 0.00 -0.00 0.00 0.00 32.58 32.18 1jkx s HIS 137 CO 0.01 -0.53 0.91 -0.06 -0.00 0.00 0.00 174.74 175.07 1jkx s PHE 138 N -3.92 3.95 -0.22 0.38 0.08 -0.63 -1.48 117.98 116.15 1jkx s PHE 138 Ca 0.10 1.86 -0.18 0.00 0.12 0.00 0.00 56.93 58.83 1jkx s PHE 138 Cb 0.06 -2.95 -0.03 0.00 -0.57 0.00 0.00 43.02 39.52 1jkx s PHE 138 CO -0.07 0.44 0.50 0.08 -0.10 0.00 0.00 175.22 176.07 1jkx s VAL 139 N -1.03 5.11 0.40 -0.44 1.01 -0.38 -3.65 120.40 121.42 1jkx s VAL 139 Ca 0.41 0.90 0.04 0.00 0.00 0.00 0.00 61.98 63.33 1jkx s VAL 139 Cb -0.25 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1jkx s VAL 139 CO 0.31 0.16 0.11 0.42 0.00 0.00 0.00 175.10 176.10 1jkx s THR 140 N 1.79 0.72 -1.96 3.92 -4.23 0.03 -4.69 115.64 111.23 1jkx s THR 140 Ca 0.23 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.05 1jkx s THR 140 Cb -0.15 -2.40 0.87 0.00 1.34 0.00 0.00 72.50 72.16 1jkx s THR 140 CO 0.09 0.00 2.21 -0.90 -0.54 0.00 0.00 174.62 175.48 1jkx n ASP 141 N -1.21 0.02 -4.69 3.99 5.68 -1.26 -4.49 116.55 114.59 1jkx n ASP 141 Ca -0.06 -0.93 -0.32 0.00 -0.50 0.00 0.00 54.79 52.98 1jkx n ASP 141 Cb 0.65 -0.02 0.14 0.00 -1.14 0.00 0.00 41.12 40.75 1jkx n ASP 141 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1jkx s GLU 142 N -2.05 1.37 0.43 0.11 2.02 -1.26 -4.91 118.70 114.40 1jkx s GLU 142 Ca 0.46 1.60 0.17 0.00 0.02 0.00 0.00 54.97 57.22 1jkx s GLU 142 Cb 0.22 -1.76 0.96 0.00 0.10 0.00 0.00 34.13 33.64 1jkx s GLU 142 CO 0.38 -2.38 1.92 -0.07 0.02 0.00 0.00 175.26 175.12 1jkx h LEU 143 N -1.42 0.00 -0.70 1.80 3.38 -2.01 -2.30 115.31 114.05 1jkx h LEU 143 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1jkx h LEU 143 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1jkx h LEU 143 CO 0.44 0.26 -0.04 -0.90 0.09 0.00 0.00 178.44 178.30 1jkx n ASP 144 N -4.00 1.12 0.00 -0.43 5.68 -1.26 -4.94 116.55 112.73 1jkx n ASP 144 Ca -0.02 -1.27 0.00 0.00 -0.50 0.00 0.00 54.79 53.00 1jkx n ASP 144 Cb 0.33 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 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 1.18 2.03 0.00 6.12 0.00 -0.87 -4.96 105.19 108.69 1jkx n GLY 145 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 3.33 3.72 -0.02 0.00 -1.25 -0.79 105.19 108.18 1jkx n GLY 146 Ca 0.00 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.68 4.24 0.23 1.61 0.04 -1.24 -4.70 135.00 132.49 1jkx s PRO 147 Ca 0.00 2.31 -0.30 0.00 0.04 0.00 0.00 61.00 63.05 1jkx s PRO 147 Cb 0.00 -3.16 -0.09 0.00 0.04 0.00 0.00 34.50 31.30 1jkx s PRO 147 CO 0.00 -0.54 1.12 0.08 0.04 0.00 0.00 177.00 177.70 1jkx s VAL 148 N 0.86 3.61 -0.27 -0.36 1.01 -1.26 -1.61 120.40 122.38 1jkx s VAL 148 Ca 0.67 1.49 -0.05 0.00 0.00 0.00 0.00 61.98 64.09 1jkx s VAL 148 Cb -0.42 -3.95 -0.15 0.00 0.00 0.00 0.00 36.38 31.86 1jkx s VAL 148 CO 0.34 0.30 -0.29 -0.38 0.00 0.00 0.00 175.10 175.07 1jkx n ILE 149 N 1.83 1.51 -3.63 2.22 5.41 0.47 -3.56 119.36 123.61 1jkx n ILE 149 Ca 0.01 -0.49 -0.14 0.00 1.00 0.00 0.00 62.75 63.13 1jkx n ILE 149 Cb 0.45 -1.62 -0.07 0.00 -0.71 0.00 0.00 39.64 37.69 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 -6.95 -0.60 0.20 1.39 2.96 -1.14 -1.03 118.68 113.50 1jkx s LEU 150 Ca -0.37 1.27 0.09 0.00 -0.22 0.00 0.00 54.13 54.91 1jkx s LEU 150 Cb 0.12 2.36 -0.05 0.00 0.50 0.00 0.00 46.19 49.12 1jkx s LEU 150 CO 0.55 -0.29 -0.18 -1.10 -1.32 0.00 0.00 176.35 174.01 1jkx s GLN 151 N 0.12 1.39 -0.03 1.98 -0.21 -1.26 -1.09 119.66 120.56 1jkx s GLN 151 Ca -0.02 -1.55 0.02 0.00 0.02 0.00 0.00 55.36 53.83 1jkx s GLN 151 Cb -0.04 -1.37 0.01 0.00 1.00 0.00 0.00 33.01 32.61 1jkx s GLN 151 CO 0.02 0.26 -0.06 0.00 -2.12 0.00 0.00 175.29 173.40 1jkx s ALA 152 N -2.44 0.65 0.14 6.09 0.00 -0.56 -5.00 121.76 120.64 1jkx s ALA 152 Ca 0.21 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.08 1jkx s ALA 152 Cb -0.04 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1jkx s ALA 152 CO 0.08 0.06 0.01 0.15 0.00 0.00 0.00 175.76 176.07 1jkx s LYS 153 N 0.48 2.52 0.02 0.00 1.02 -1.26 -1.34 119.74 121.18 1jkx s LYS 153 Ca -0.06 -0.96 0.01 0.00 0.02 0.00 0.00 55.97 54.98 1jkx s LYS 153 Cb -0.10 -2.47 -0.02 0.00 -0.52 0.00 0.00 37.83 34.72 1jkx s LYS 153 CO 0.00 0.49 -0.05 0.14 -0.92 0.00 0.00 175.35 175.01 1jkx s VAL 154 N -1.55 0.36 0.56 3.17 -7.23 0.75 -4.94 120.40 111.53 1jkx s VAL 154 Ca 0.27 -0.73 -0.15 0.00 -1.81 0.00 0.00 61.98 59.56 1jkx s VAL 154 Cb -0.10 -0.41 -0.05 0.00 0.56 0.00 0.00 36.38 36.37 1jkx s VAL 154 CO 0.19 -0.25 1.02 -2.16 -0.31 0.00 0.00 175.10 173.58 1jkx s PRO 155 N -1.05 3.64 -0.12 4.82 0.04 -1.26 -1.04 135.00 140.03 1jkx s PRO 155 Ca -0.07 1.00 0.02 0.00 0.04 0.00 0.00 61.00 61.98 1jkx s PRO 155 Cb -0.07 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.40 1jkx s PRO 155 CO -0.00 -0.53 -0.16 0.08 0.04 0.00 0.00 177.00 176.43 1jkx s VAL 156 N -2.68 1.60 0.19 -0.36 1.01 -0.63 -4.81 120.40 114.73 1jkx s VAL 156 Ca 0.60 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.96 1jkx s VAL 156 Cb -0.12 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1jkx s VAL 156 CO 0.38 0.46 -0.02 -0.36 0.00 0.00 0.00 175.10 175.56 1jkx s PHE 157 N 1.04 2.77 0.23 5.22 0.08 -1.26 -4.72 117.98 121.34 1jkx s PHE 157 Ca -0.05 -0.17 -0.17 0.00 0.12 0.00 0.00 56.93 56.66 1jkx s PHE 157 Cb -0.15 -1.32 0.24 0.00 -0.57 0.00 0.00 43.02 41.23 1jkx s PHE 157 CO -0.03 0.54 1.56 0.00 -0.10 0.00 0.00 175.22 177.19 1jkx h ALA 158 N 2.56 0.19 0.00 5.36 0.00 -2.00 -1.49 119.26 123.88 1jkx h ALA 158 Ca -0.46 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1jkx h ALA 158 Cb 1.21 0.91 0.00 0.00 0.00 0.00 0.00 17.79 19.91 1jkx h ALA 158 CO 0.58 -0.60 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1jkx n GLY 159 N -1.48 -1.29 3.72 0.00 0.00 -1.26 -4.88 105.19 99.98 1jkx n GLY 159 Ca 0.09 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1jkx n GLY 159 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jkx n ASP 160 N -1.96 3.14 -4.99 1.61 8.00 -0.56 -5.01 116.55 116.76 1jkx n ASP 160 Ca 0.04 1.19 -0.19 0.00 0.71 0.00 0.00 54.79 56.54 1jkx n ASP 160 Cb 0.26 -1.52 0.02 0.00 -0.02 0.00 0.00 41.12 39.86 1jkx n ASP 160 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1jkx s SER 161 N -0.02 5.48 0.25 -2.24 1.04 -1.26 -4.94 113.70 112.01 1jkx s SER 161 Ca 0.59 -0.31 -0.05 0.00 0.48 0.00 0.00 55.95 56.66 1jkx s SER 161 Cb -0.56 -0.67 0.27 0.00 0.10 0.00 0.00 66.02 65.16 1jkx s SER 161 CO 0.58 -0.93 1.86 -0.08 0.98 0.00 0.00 173.24 175.64 1jkx h GLU 162 N 0.41 1.17 -0.48 4.02 4.81 -1.95 -1.79 114.58 120.78 1jkx h GLU 162 Ca -0.40 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 58.60 1jkx h GLU 162 Cb 1.29 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1jkx h GLU 162 CO 0.47 0.87 -0.05 -0.44 -0.73 0.00 0.00 179.01 179.14 1jkx h ASP 163 N 1.17 0.80 0.08 1.04 3.32 -1.98 -0.05 116.42 120.80 1jkx h ASP 163 Ca 0.29 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 57.13 1jkx h ASP 163 Cb 0.06 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1jkx h ASP 163 CO -0.04 0.90 -0.10 0.44 -1.72 0.00 0.00 179.24 178.71 1jkx h ASP 164 N 0.76 -0.27 -0.52 6.45 3.32 -1.74 -1.22 116.42 123.20 1jkx h ASP 164 Ca 0.14 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 1jkx h ASP 164 Cb 0.53 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 1jkx h ASP 164 CO 0.03 -0.15 0.13 0.40 -1.72 0.00 0.00 179.24 177.92 1jkx h ILE 165 N -0.21 1.24 -0.08 0.35 2.04 -1.21 -1.84 117.51 117.79 1jkx h ILE 165 Ca 0.01 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.03 1jkx h ILE 165 Cb 0.22 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1jkx h ILE 165 CO -0.05 0.31 -0.03 0.74 0.00 0.00 0.00 178.15 179.12 1jkx h THR 166 N 0.73 0.89 -0.70 -0.27 2.02 -0.85 -0.03 112.91 114.71 1jkx h THR 166 Ca 0.16 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.30 1jkx h THR 166 Cb 0.33 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1jkx h THR 166 CO 0.00 0.00 0.26 0.00 0.37 0.00 0.00 175.52 176.15 1jkx h ALA 167 N 1.06 1.13 -0.71 6.16 0.00 -1.15 -0.57 119.26 125.18 1jkx h ALA 167 Ca 0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1jkx h ALA 167 Cb 0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1jkx h ALA 167 CO -0.10 0.61 0.29 -0.09 0.00 0.00 0.00 179.25 179.97 1jkx h ARG 168 N 1.02 1.05 -0.36 0.00 2.43 -0.89 -1.63 114.38 116.00 1jkx h ARG 168 Ca 0.23 -0.19 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 1jkx h ARG 168 Cb 0.23 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1jkx h ARG 168 CO -0.02 0.86 -0.25 0.28 -1.51 0.00 0.00 179.97 179.33 1jkx h VAL 169 N 1.00 1.28 0.00 0.20 2.07 -0.62 -3.02 116.25 117.16 1jkx h VAL 169 Ca 0.24 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1jkx h VAL 169 Cb 0.20 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1jkx h VAL 169 CO -0.02 0.46 -0.08 1.56 0.02 0.00 0.00 177.57 179.52 1jkx h GLN 170 N 0.61 0.00 -0.60 1.57 4.20 -0.72 -0.64 115.11 119.53 1jkx h GLN 170 Ca 0.07 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 1jkx h GLN 170 Cb 0.82 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 1jkx h GLN 170 CO 0.07 0.08 0.15 1.15 -0.67 0.00 0.00 178.83 179.60 1jkx h THR 171 N 0.00 1.24 -0.34 -0.54 2.02 -1.18 -0.61 112.91 113.49 1jkx h THR 171 Ca -0.00 -0.86 -0.16 0.00 0.77 0.00 0.00 66.41 66.16 1jkx h THR 171 Cb 0.14 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1jkx h THR 171 CO 0.01 0.33 -0.41 1.56 0.37 0.00 0.00 175.52 177.38 1jkx h GLN 172 N 0.89 0.84 -0.55 6.66 1.08 -1.16 -3.11 115.11 119.76 1jkx h GLN 172 Ca 0.19 -0.45 0.02 0.00 -1.45 0.00 0.00 58.65 56.97 1jkx h GLN 172 Cb 0.31 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.73 1jkx h GLN 172 CO -0.00 1.09 0.33 0.93 -0.95 0.00 0.00 178.83 180.23 1jkx h GLU 173 N 0.69 0.64 0.00 1.46 5.08 -0.65 0.11 114.58 121.90 1jkx h GLU 173 Ca 0.05 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1jkx h GLU 173 Cb 0.98 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1jkx h GLU 173 CO 0.09 0.43 -0.00 0.45 -1.00 0.00 0.00 179.01 178.98 1jkx h HIS 174 N 0.66 0.00 0.00 4.33 3.86 -1.07 -0.35 115.15 122.58 1jkx h HIS 174 Ca 0.22 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.18 1jkx h HIS 174 Cb 0.02 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 1jkx h HIS 174 CO -0.06 0.00 -1.49 0.00 0.86 0.00 0.00 177.93 177.25 1jkx n ALA 175 N -2.13 0.85 0.12 2.45 0.00 -0.55 -4.39 120.51 116.87 1jkx n ALA 175 Ca -0.03 -0.67 -0.01 0.00 0.00 0.00 0.00 53.44 52.73 1jkx n ALA 175 Cb 0.09 -0.25 0.10 0.00 0.00 0.00 0.00 19.45 19.39 1jkx n ALA 175 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1jkx h ILE 176 N -1.00 1.38 -0.10 0.00 3.07 -0.69 -2.96 117.51 117.21 1jkx h ILE 176 Ca -0.37 -2.41 -0.01 0.00 1.55 0.00 0.00 64.86 63.61 1jkx h ILE 176 Cb 1.26 2.34 -0.00 0.00 -0.27 0.00 0.00 36.82 40.14 1jkx h ILE 176 CO -0.23 0.67 0.00 0.22 -1.05 0.00 0.00 178.15 177.76 1jkx h TYR 177 N 0.00 0.18 -0.34 0.16 5.03 -1.29 -0.37 116.97 120.34 1jkx h TYR 177 Ca -0.01 -0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.24 1jkx h TYR 177 Cb 1.28 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 39.50 1jkx h TYR 177 CO 0.00 0.41 0.05 -1.35 -1.32 0.00 0.00 178.16 175.95 1jkx h PRO 178 N -0.10 0.51 -0.22 1.82 0.11 -1.77 -1.12 132.00 131.24 1jkx h PRO 178 Ca 0.03 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1jkx h PRO 178 Cb 0.33 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1jkx h PRO 178 CO 0.00 0.50 0.13 1.25 -0.21 0.00 0.00 178.00 179.67 1jkx h LEU 179 N 0.50 0.26 -0.76 2.35 5.85 -1.30 0.19 115.31 122.41 1jkx h LEU 179 Ca 0.11 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1jkx h LEU 179 Cb 0.24 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1jkx h LEU 179 CO 0.00 0.24 0.33 0.58 -0.34 0.00 0.00 178.44 179.25 1jkx h VAL 180 N 0.26 1.25 -0.37 1.05 2.07 -0.69 -1.34 116.25 118.49 1jkx h VAL 180 Ca 0.08 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.78 1jkx h VAL 180 Cb 0.02 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1jkx h VAL 180 CO -0.01 0.31 -0.07 0.40 0.02 0.00 0.00 177.57 178.22 1jkx h ILE 181 N 1.08 1.23 -0.37 4.57 2.04 -0.96 -1.98 117.51 123.12 1jkx h ILE 181 Ca 0.26 -1.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.03 1jkx h ILE 181 Cb 0.17 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1jkx h ILE 181 CO -0.03 0.34 -0.15 0.77 0.00 0.00 0.00 178.15 179.08 1jkx h SER 182 N 0.58 0.67 -0.56 1.72 4.64 -0.32 0.18 113.55 120.46 1jkx h SER 182 Ca 0.11 -0.21 -0.06 0.00 -0.47 0.00 0.00 61.79 61.16 1jkx h SER 182 Cb 0.47 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.35 1jkx h SER 182 CO 0.02 0.84 0.14 -0.50 -0.87 0.00 0.00 176.83 176.46 1jkx h TRP 183 N 0.61 0.98 -0.07 4.77 6.55 -0.68 -0.59 115.95 127.53 1jkx h TRP 183 Ca 0.10 -0.10 -0.02 0.00 0.95 0.00 0.00 58.89 59.82 1jkx h TRP 183 Cb 0.61 -0.28 -0.00 0.00 -0.86 0.00 0.00 29.16 28.63 1jkx h TRP 183 CO 0.03 0.81 -0.03 0.35 -1.05 0.00 0.00 178.44 178.55 1jkx h PHE 184 N 0.90 0.16 -0.98 0.49 3.57 -0.88 -0.31 116.94 119.88 1jkx h PHE 184 Ca 0.19 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.71 1jkx h PHE 184 Cb 0.33 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.98 1jkx h PHE 184 CO 0.02 0.51 0.64 0.00 -2.23 0.00 0.00 178.31 177.25 1jkx h ALA 185 N 0.62 1.41 0.00 2.41 0.00 -0.78 -0.50 119.26 122.42 1jkx h ALA 185 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jkx h ALA 185 Cb 0.47 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1jkx h ALA 185 CO 0.01 0.46 0.00 -0.25 0.00 0.00 0.00 179.25 179.47 1jkx n ASP 186 N -4.48 0.00 -0.12 0.00 8.00 -0.25 -4.88 116.55 114.83 1jkx n ASP 186 Ca 0.14 -0.32 -0.02 0.00 0.71 0.00 0.00 54.79 55.31 1jkx n ASP 186 Cb 0.16 -0.17 -0.01 0.00 -0.02 0.00 0.00 41.12 41.08 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 0.58 0.50 0.11 0.44 0.00 -0.20 -4.90 105.19 101.73 1jkx n GLY 187 Ca 0.14 -0.28 0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 0.52 0.00 -5.24 1.61 3.08 -1.28 -3.46 114.38 109.62 1jkx h ARG 188 Ca -0.03 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.37 1jkx h ARG 188 Cb 0.25 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.06 1jkx h ARG 188 CO 0.05 0.33 -0.69 -1.17 -1.07 0.00 0.00 179.97 177.41 1jkx s LEU 189 N -5.97 3.09 0.03 3.04 2.96 -0.89 -0.85 118.68 120.10 1jkx s LEU 189 Ca -0.00 -0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 1jkx s LEU 189 Cb 0.08 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 1jkx s LEU 189 CO 0.79 0.13 0.07 -0.54 -1.32 0.00 0.00 176.35 175.47 1jkx s LYS 190 N 0.59 0.52 -0.12 1.98 1.02 -0.54 -4.59 119.74 118.59 1jkx s LYS 190 Ca -0.04 -0.71 -0.02 0.00 0.02 0.00 0.00 55.97 55.22 1jkx s LYS 190 Cb -0.15 0.20 -0.03 0.00 -0.52 0.00 0.00 37.83 37.34 1jkx s LYS 190 CO 0.03 -0.12 -0.04 1.41 -0.92 0.00 0.00 175.35 175.70 1jkx s MET 191 N -2.30 3.33 -0.27 1.68 -2.45 -1.26 -0.62 119.30 117.40 1jkx s MET 191 Ca -0.08 -0.52 -0.14 0.00 -1.25 0.00 0.00 55.69 53.71 1jkx s MET 191 Cb -0.03 -2.80 0.09 0.00 1.25 0.00 0.00 34.83 33.33 1jkx s MET 191 CO -0.03 0.42 0.64 -1.58 1.05 0.00 0.00 175.02 175.52 1jkx s HIS 192 N -0.13 -1.07 -1.30 4.11 2.46 -0.36 -4.88 115.29 114.11 1jkx s HIS 192 Ca 0.02 2.08 -0.04 0.00 0.47 0.00 0.00 55.06 57.59 1jkx s HIS 192 Cb -0.13 0.63 0.01 0.00 -0.13 0.00 0.00 32.58 32.96 1jkx s HIS 192 CO 0.03 -0.54 1.01 0.39 -2.47 0.00 0.00 174.74 173.16 1jkx n GLU 193 N 4.60 -6.69 -2.21 2.88 4.71 -1.26 -2.02 120.64 120.65 1jkx n GLU 193 Ca -0.18 0.78 -0.17 0.00 -0.01 0.00 0.00 57.16 57.58 1jkx n GLU 193 Cb 0.56 -5.73 -0.02 0.00 -1.01 0.00 0.00 31.44 25.24 1jkx n GLU 193 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1jkx n ASN 194 N -3.05 -4.79 -4.18 1.62 3.02 -1.26 -4.97 115.26 101.65 1jkx n ASN 194 Ca -0.16 0.16 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 1jkx n ASN 194 Cb 0.62 -4.09 -0.12 0.00 -0.61 0.00 0.00 39.78 35.58 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 -2.73 1.24 -0.14 5.41 0.00 -0.86 -4.35 121.76 120.33 1jkx s ALA 195 Ca 0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 50.84 1jkx s ALA 195 Cb 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 1jkx s ALA 195 CO 0.00 0.20 0.31 0.00 0.00 0.00 0.00 175.76 176.27 1jkx s ALA 196 N -1.16 3.62 -0.14 0.00 0.00 -1.26 -1.23 121.76 121.59 1jkx s ALA 196 Ca -0.00 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.55 1jkx s ALA 196 Cb -0.09 -2.38 0.02 0.00 0.00 0.00 0.00 23.12 20.67 1jkx s ALA 196 CO 0.02 0.17 -0.16 -1.58 0.00 0.00 0.00 175.76 174.21 1jkx s TRP 197 N 0.18 2.23 -0.23 0.00 0.52 0.20 -0.84 118.94 121.00 1jkx s TRP 197 Ca 0.18 -1.18 -0.02 0.00 0.02 0.00 0.00 56.10 55.10 1jkx s TRP 197 Cb -0.13 -1.60 0.02 0.00 -1.15 0.00 0.00 33.47 30.60 1jkx s TRP 197 CO 0.05 -0.61 -0.08 -1.17 0.02 0.00 0.00 176.95 175.16 1jkx s LEU 198 N 1.22 2.95 -1.59 2.99 2.96 -0.19 -1.47 118.68 125.55 1jkx s LEU 198 Ca -0.00 -0.71 -0.02 0.00 -0.22 0.00 0.00 54.13 53.17 1jkx s LEU 198 Cb -0.14 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 44.90 1jkx s LEU 198 CO -0.07 -0.08 0.32 0.47 -1.32 0.00 0.00 176.35 175.67 1jkx n ASP 199 N 4.69 -5.84 -0.01 3.68 8.00 -0.03 -1.58 116.55 125.46 1jkx n ASP 199 Ca -0.18 -0.16 -0.00 0.00 0.71 0.00 0.00 54.79 55.16 1jkx n ASP 199 Cb 0.48 -4.75 -0.00 0.00 -0.02 0.00 0.00 41.12 36.84 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 -1.28 0.48 3.38 0.44 0.00 -1.26 -5.03 105.19 101.92 1jkx n GLY 200 Ca -0.17 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.33 3.46 -0.04 1.61 -1.52 -0.62 -5.08 119.66 117.14 1jkx s GLN 201 Ca 0.00 -0.62 -0.30 0.00 -1.95 0.00 0.00 55.36 52.49 1jkx s GLN 201 Cb 0.00 -2.87 -0.05 0.00 -0.22 0.00 0.00 33.01 29.87 1jkx s GLN 201 CO 0.00 0.04 1.55 0.50 -0.25 0.00 0.00 175.29 177.13 1jkx s ARG 202 N 0.84 4.21 0.34 2.91 3.52 -1.26 -1.02 118.95 128.49 1jkx s ARG 202 Ca -0.02 2.09 -0.26 0.00 -0.13 0.00 0.00 55.73 57.42 1jkx s ARG 202 Cb -0.15 -3.82 -0.10 0.00 -1.56 0.00 0.00 34.95 29.33 1jkx s ARG 202 CO 0.01 -0.75 0.99 -0.51 -0.81 0.00 0.00 175.30 174.22 1jkx s LEU 203 N 3.43 4.31 1.05 -0.88 1.43 -0.02 -4.96 118.68 123.04 1jkx s LEU 203 Ca 0.69 1.93 -0.13 0.00 -1.03 0.00 0.00 54.13 55.59 1jkx s LEU 203 Cb -0.32 -4.02 0.21 0.00 0.03 0.00 0.00 46.19 42.09 1jkx s LEU 203 CO 0.27 -0.18 1.09 -2.16 0.23 0.00 0.00 176.35 175.60 1jkx s PRO 204 N -2.11 0.03 0.42 1.29 0.04 -1.26 -4.75 135.00 128.66 1jkx s PRO 204 Ca 0.52 0.44 0.23 0.00 0.04 0.00 0.00 61.00 62.22 1jkx s PRO 204 Cb -0.21 -1.70 1.22 0.00 0.04 0.00 0.00 34.50 33.86 1jkx s PRO 204 CO 0.26 -2.99 1.72 -1.35 0.04 0.00 0.00 177.00 174.69 1jkx h PRO 205 N -2.07 0.27 -0.58 0.56 0.11 -1.97 -0.96 132.00 127.37 1jkx h PRO 205 Ca -0.55 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.40 1jkx h PRO 205 Cb 1.33 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 32.29 1jkx h PRO 205 CO 0.55 0.18 0.15 1.04 -0.21 0.00 0.00 178.00 179.71 1jkx n GLN 206 N -4.63 3.37 0.00 1.05 6.02 -1.26 -4.21 117.38 117.72 1jkx n GLN 206 Ca 0.29 -3.06 0.00 0.00 -0.01 0.00 0.00 57.00 54.22 1jkx n GLN 206 Cb 1.07 -2.09 0.00 0.00 1.02 0.00 0.00 30.24 30.24 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 -0.33 -2.45 3.62 1.08 0.00 -0.36 -4.19 105.19 102.57 1jkx n GLY 207 Ca 0.35 -1.59 -0.50 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.68 1.81 -1.44 1.61 9.36 -0.20 -4.28 117.16 123.34 1jkx n TYR 208 Ca 0.00 0.49 0.00 0.00 3.32 0.00 0.00 57.90 61.71 1jkx n TYR 208 Cb 0.00 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 36.30 1jkx n TYR 208 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08