#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jki s THR 5 N 0.00 0.00 0.10 6.31 -4.23 -1.26 -2.75 115.64 113.81 2jki s THR 5 Ca 0.00 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 2jki s THR 5 Cb 0.00 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.81 2jki s THR 5 CO 0.00 0.00 -0.14 -0.70 -0.54 0.00 0.00 174.62 173.24 2jki s GLU 6 N -2.31 0.93 -0.09 3.99 2.12 -0.15 -5.00 118.70 118.20 2jki s GLU 6 Ca 0.01 -1.13 0.04 0.00 0.36 0.00 0.00 54.97 54.25 2jki s GLU 6 Cb -0.01 -0.84 0.00 0.00 0.26 0.00 0.00 34.13 33.55 2jki s GLU 6 CO -0.04 0.17 -0.21 0.99 -0.54 0.00 0.00 175.26 175.63 2jki s THR 7 N -1.86 1.83 0.13 -1.70 2.01 -1.26 -1.61 115.64 113.18 2jki s THR 7 Ca 0.05 -0.89 0.10 0.00 0.31 0.00 0.00 61.69 61.25 2jki s THR 7 Cb -0.06 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 2jki s THR 7 CO 0.02 0.51 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.87 2jki s PHE 8 N 0.37 2.04 -0.13 4.92 0.40 -0.23 -4.99 117.98 120.35 2jki s PHE 8 Ca -0.16 -0.40 -0.07 0.00 -0.60 0.00 0.00 56.93 55.70 2jki s PHE 8 Cb -0.17 -1.09 -0.04 0.00 0.51 0.00 0.00 43.02 42.23 2jki s PHE 8 CO 0.07 0.30 0.10 0.00 0.70 0.00 0.00 175.22 176.39 2jki s ALA 9 N -1.27 3.68 0.34 5.36 0.00 -1.26 -0.39 121.76 128.22 2jki s ALA 9 Ca 0.12 -0.69 -0.28 0.00 0.00 0.00 0.00 51.96 51.10 2jki s ALA 9 Cb -0.09 -1.91 -0.12 0.00 0.00 0.00 0.00 23.12 21.00 2jki s ALA 9 CO 0.06 0.48 1.35 1.19 0.00 0.00 0.00 175.76 178.84 2jki n PHE 10 N 2.45 2.43 -1.67 0.00 3.72 -0.68 -4.80 117.46 118.92 2jki n PHE 10 Ca -0.19 0.51 -0.37 0.00 -0.05 0.00 0.00 57.45 57.35 2jki n PHE 10 Cb 0.54 -2.45 0.06 0.00 -0.94 0.00 0.00 39.48 36.69 2jki n PHE 10 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2jki n GLN 11 N 0.71 0.99 -0.15 -1.08 -0.06 -0.62 -4.67 117.38 112.51 2jki n GLN 11 Ca 0.05 0.39 -0.04 0.00 -2.00 0.00 0.00 57.00 55.40 2jki n GLN 11 Cb 0.36 -2.34 -0.04 0.00 -4.06 0.00 0.00 30.24 24.16 2jki n GLN 11 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2jki h ALA 12 N 0.49 -0.22 -0.81 1.69 0.00 -1.92 -0.89 119.26 117.61 2jki h ALA 12 Ca -0.50 0.04 0.20 0.00 0.00 0.00 0.00 54.91 54.65 2jki h ALA 12 Cb 1.35 1.12 -0.14 0.00 0.00 0.00 0.00 17.79 20.13 2jki h ALA 12 CO 0.52 -0.37 0.08 0.93 0.00 0.00 0.00 179.25 180.41 2jki h GLU 13 N -0.01 0.13 -0.26 0.00 3.07 -1.99 -0.63 114.58 114.89 2jki h GLU 13 Ca 0.06 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.79 2jki h GLU 13 Cb 0.15 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 2jki h GLU 13 CO -0.33 0.09 -0.34 0.82 -1.40 0.00 0.00 179.01 177.84 2jki h ILE 14 N 0.14 1.29 -0.66 3.13 2.04 -1.56 -1.19 117.51 120.69 2jki h ILE 14 Ca 0.47 -1.47 0.06 0.00 1.00 0.00 0.00 64.86 64.91 2jki h ILE 14 Cb 0.87 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 2jki h ILE 14 CO -0.68 0.47 0.37 0.78 0.00 0.00 0.00 178.15 179.09 2jki h ASN 15 N 0.49 0.56 -0.35 1.72 2.35 0.08 0.21 115.58 120.63 2jki h ASN 15 Ca 0.05 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2jki h ASN 15 Cb 0.82 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 2jki h ASN 15 CO 0.07 0.36 0.17 1.56 -1.65 0.00 0.00 177.43 177.94 2jki h GLN 16 N 0.69 0.50 0.32 0.81 4.20 -0.96 -0.57 115.11 120.10 2jki h GLN 16 Ca 0.29 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 2jki h GLN 16 Cb 0.17 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2jki h GLN 16 CO -0.17 0.46 -0.15 1.25 -0.67 0.00 0.00 178.83 179.54 2jki h LEU 17 N 0.43 -0.36 -1.61 1.46 5.85 -0.86 -1.16 115.31 119.06 2jki h LEU 17 Ca 0.12 -0.01 0.23 0.00 0.84 0.00 0.00 57.88 59.06 2jki h LEU 17 Cb 0.12 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 2jki h LEU 17 CO -0.02 -0.23 0.63 -0.07 -0.34 0.00 0.00 178.44 178.41 2jki h LEU 18 N -0.45 0.31 0.35 2.25 3.38 -0.39 0.43 115.31 121.19 2jki h LEU 18 Ca -0.04 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2jki h LEU 18 Cb 0.34 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2jki h LEU 18 CO 0.07 0.11 -0.17 -1.28 0.09 0.00 0.00 178.44 177.26 2jki h SER 19 N 0.30 -0.40 -0.95 -0.43 0.87 -0.25 -2.04 113.55 110.65 2jki h SER 19 Ca 0.49 -0.14 0.24 0.00 -1.23 0.00 0.00 61.79 61.14 2jki h SER 19 Cb 1.39 0.10 -0.18 0.00 -0.44 0.00 0.00 62.40 63.27 2jki h SER 19 CO -0.15 0.04 -0.03 -0.07 -0.53 0.00 0.00 176.83 176.09 2jki h LEU 20 N -0.97 -0.54 -0.11 2.23 3.38 -0.57 0.76 115.31 119.50 2jki h LEU 20 Ca -0.05 0.27 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 2jki h LEU 20 Cb 0.52 0.49 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 2jki h LEU 20 CO 0.08 -0.32 0.05 0.40 0.09 0.00 0.00 178.44 178.74 2jki h ILE 21 N 0.02 1.13 -0.01 1.22 1.08 -0.85 -2.57 117.51 117.53 2jki h ILE 21 Ca 0.54 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 64.64 2jki h ILE 21 Cb 1.05 1.19 0.00 0.00 -3.07 0.00 0.00 36.82 35.99 2jki h ILE 21 CO -0.90 0.11 -0.28 0.00 -0.69 0.00 0.00 178.15 176.39 2jki n ILE 22 N -4.93 0.00 0.00 -0.67 3.06 -0.59 -4.21 119.36 112.02 2jki n ILE 22 Ca -0.05 -0.23 0.01 0.00 -2.50 0.00 0.00 62.75 59.97 2jki n ILE 22 Cb 0.10 0.85 -0.02 0.00 0.54 0.00 0.00 39.64 41.11 2jki n ILE 22 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 2jki n ASN 23 N -0.10 4.40 -4.87 9.51 3.02 0.16 -4.99 115.26 122.39 2jki n ASN 23 Ca 0.12 -0.01 -0.36 0.00 -0.03 0.00 0.00 54.58 54.30 2jki n ASN 23 Cb 0.42 1.10 -0.06 0.00 -0.61 0.00 0.00 39.78 40.64 2jki n ASN 23 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2jki s THR 24 N -2.14 5.18 -0.48 3.41 2.01 -0.97 -5.04 115.64 117.60 2jki s THR 24 Ca -0.01 0.44 -0.24 0.00 0.31 0.00 0.00 61.69 62.20 2jki s THR 24 Cb 0.01 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.94 2jki s THR 24 CO 0.09 0.41 0.86 0.12 -0.69 0.00 0.00 174.62 175.42 2jki s PHE 25 N -1.25 2.92 0.26 4.92 2.19 -1.26 -4.90 117.98 120.86 2jki s PHE 25 Ca 0.27 0.14 0.06 0.00 0.33 0.00 0.00 56.93 57.73 2jki s PHE 25 Cb -0.14 -3.85 -0.03 0.00 -1.31 0.00 0.00 43.02 37.69 2jki s PHE 25 CO 0.15 -1.12 0.35 0.71 1.83 0.00 0.00 175.22 177.14 2jki s TYR 26 N 3.57 3.32 -0.18 10.12 1.51 -1.26 -5.04 117.35 129.38 2jki s TYR 26 Ca 0.31 -0.08 -0.23 0.00 -1.01 0.00 0.00 57.07 56.06 2jki s TYR 26 Cb -0.12 -1.63 -0.22 0.00 -0.11 0.00 0.00 41.96 39.88 2jki s TYR 26 CO 0.22 0.36 0.40 0.77 -1.11 0.00 0.00 175.55 176.19 2jki h SER 27 N 1.17 0.02 -0.80 2.29 0.02 -2.04 -3.41 113.55 110.80 2jki h SER 27 Ca -0.50 -0.67 -0.57 0.00 -0.84 0.00 0.00 61.79 59.20 2jki h SER 27 Cb 1.24 -0.01 -0.11 0.00 0.14 0.00 0.00 62.40 63.66 2jki h SER 27 CO 0.59 1.35 1.52 0.59 -1.14 0.00 0.00 176.83 179.74 2jki n ASN 28 N -4.46 7.21 0.26 3.07 3.02 -1.26 -4.63 115.26 118.47 2jki n ASN 28 Ca -0.25 -2.99 0.15 0.00 -0.03 0.00 0.00 54.58 51.45 2jki n ASN 28 Cb 0.63 -1.35 0.66 0.00 -0.61 0.00 0.00 39.78 39.12 2jki n ASN 28 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2jki h LYS 29 N 3.87 0.00 0.00 3.52 1.57 -1.97 -3.20 116.57 120.36 2jki h LYS 29 Ca 0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 2jki h LYS 29 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2jki h LYS 29 CO 1.14 0.09 0.00 1.05 -0.57 0.00 0.00 179.45 181.16 2jki h GLU 30 N 0.00 0.00 0.00 3.15 -0.00 -1.98 -2.32 114.58 113.42 2jki h GLU 30 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2jki h GLU 30 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.27 2jki h GLU 30 CO 0.01 0.00 0.00 0.44 -0.00 0.00 0.00 179.01 179.46 2jki n ILE 31 N -2.47 0.05 -0.25 -1.06 -6.64 -1.21 -2.96 119.36 104.82 2jki n ILE 31 Ca -0.01 0.01 -0.05 0.00 -1.77 0.00 0.00 62.75 60.94 2jki n ILE 31 Cb 0.12 -0.68 0.05 0.00 -1.44 0.00 0.00 39.64 37.69 2jki n ILE 31 CO 0.00 0.00 0.00 2.19 -1.77 0.00 0.00 176.55 176.97 2jki h PHE 32 N 0.00 0.89 -0.21 4.28 -0.00 -1.70 -1.58 116.94 118.61 2jki h PHE 32 Ca 0.00 0.01 -0.06 0.00 -0.00 0.00 0.00 57.97 57.92 2jki h PHE 32 Cb 0.03 -0.30 -0.01 0.00 -0.00 0.00 0.00 35.95 35.67 2jki h PHE 32 CO 0.00 0.57 -0.13 1.25 -0.00 0.00 0.00 178.31 180.00 2jki h LEU 33 N 0.94 0.33 0.10 2.10 5.85 -1.81 -0.82 115.31 121.99 2jki h LEU 33 Ca 0.25 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2jki h LEU 33 Cb -0.09 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.86 2jki h LEU 33 CO -0.05 0.49 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.40 2jki h ARG 34 N 0.32 -0.13 -0.13 1.25 2.43 -1.57 -0.82 114.38 115.73 2jki h ARG 34 Ca 0.06 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2jki h ARG 34 Cb 0.43 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 2jki h ARG 34 CO 0.03 0.01 -0.11 0.93 -1.51 0.00 0.00 179.97 179.32 2jki h GLU 35 N -0.24 0.20 0.02 0.20 4.39 -0.60 0.10 114.58 118.65 2jki h GLU 35 Ca -0.01 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 2jki h GLU 35 Cb 0.20 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2jki h GLU 35 CO 0.02 0.32 -0.18 -0.07 -1.16 0.00 0.00 179.01 177.95 2jki h LEU 36 N 0.19 0.12 -1.12 1.33 3.38 -1.08 -1.05 115.31 117.08 2jki h LEU 36 Ca 0.04 -0.92 0.07 0.00 0.09 0.00 0.00 57.88 57.16 2jki h LEU 36 Cb 0.32 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 2jki h LEU 36 CO 0.02 1.02 0.60 0.40 0.09 0.00 0.00 178.44 180.57 2jki h ILE 37 N -0.77 1.06 0.65 1.22 2.04 -0.94 -0.64 117.51 120.13 2jki h ILE 37 Ca -0.03 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 2jki h ILE 37 Cb 1.07 -0.08 0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2jki h ILE 37 CO 0.03 0.19 -0.31 -1.28 0.00 0.00 0.00 178.15 176.78 2jki h SER 38 N 1.05 -0.74 -0.45 1.72 0.87 -0.82 -0.26 113.55 114.91 2jki h SER 38 Ca 0.40 0.03 0.13 0.00 -1.23 0.00 0.00 61.79 61.12 2jki h SER 38 Cb 0.21 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 2jki h SER 38 CO -0.15 -0.41 0.59 0.78 -0.53 0.00 0.00 176.83 177.10 2jki h ASN 39 N -1.12 0.00 0.37 6.23 2.35 -0.79 0.83 115.58 123.46 2jki h ASN 39 Ca -0.09 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.34 2jki h ASN 39 Cb 0.67 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.06 2jki h ASN 39 CO 0.15 0.00 -1.49 -1.28 -1.65 0.00 0.00 177.43 173.16 2jki h SER 40 N 0.00 0.62 0.81 5.81 0.87 -0.93 -2.88 113.55 117.85 2jki h SER 40 Ca 0.21 -0.74 -0.04 0.00 -1.23 0.00 0.00 61.79 59.99 2jki h SER 40 Cb 1.38 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 63.15 2jki h SER 40 CO -0.00 1.59 -0.41 -1.28 -0.53 0.00 0.00 176.83 176.21 2jki h SER 41 N 0.11 -0.97 -1.22 6.23 0.87 0.24 -2.62 113.55 116.20 2jki h SER 41 Ca -0.24 0.04 0.42 0.00 -1.23 0.00 0.00 61.79 60.78 2jki h SER 41 Cb 2.09 0.26 -0.14 0.00 -0.44 0.00 0.00 62.40 64.16 2jki h SER 41 CO 0.22 -0.68 0.75 0.44 -0.53 0.00 0.00 176.83 177.03 2jki h ASP 42 N -1.11 0.29 0.07 6.23 3.45 -1.10 0.55 116.42 124.80 2jki h ASP 42 Ca -0.11 0.18 -0.19 0.00 0.43 0.00 0.00 57.03 57.33 2jki h ASP 42 Cb 0.86 0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.80 2jki h ASP 42 CO 0.17 -0.25 -0.71 0.00 -1.57 0.00 0.00 179.24 176.88 2jki h ALA 43 N 1.73 0.51 -0.25 3.45 0.00 -1.29 -2.95 119.26 120.47 2jki h ALA 43 Ca 0.83 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2jki h ALA 43 Cb 2.43 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 20.16 2jki h ALA 43 CO -0.53 0.72 -0.04 -0.07 0.00 0.00 0.00 179.25 179.33 2jki h LEU 44 N 0.40 0.46 -0.77 0.00 3.38 0.41 -1.51 115.31 117.68 2jki h LEU 44 Ca -0.03 -0.35 0.16 0.00 0.09 0.00 0.00 57.88 57.75 2jki h LEU 44 Cb 1.30 -0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.79 2jki h LEU 44 CO 0.13 0.70 -0.11 0.44 0.09 0.00 0.00 178.44 179.70 2jki h ASP 45 N 0.21 -0.57 0.19 -0.43 3.45 -1.15 -1.63 116.42 116.49 2jki h ASP 45 Ca 0.06 0.22 -0.01 0.00 0.43 0.00 0.00 57.03 57.73 2jki h ASP 45 Cb 0.49 0.43 0.00 0.00 -0.56 0.00 0.00 39.33 39.69 2jki h ASP 45 CO 0.02 -0.23 -0.09 0.11 -1.57 0.00 0.00 179.24 177.48 2jki h LYS 46 N 0.04 -0.25 0.00 3.56 1.57 -1.31 -0.30 116.57 119.88 2jki h LYS 46 Ca 0.39 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.18 2jki h LYS 46 Cb 0.65 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 2jki h LYS 46 CO -0.75 -0.14 -0.05 0.97 -0.57 0.00 0.00 179.45 178.92 2jki h ILE 47 N -0.29 0.26 0.08 1.86 6.09 -1.34 -0.93 117.51 123.23 2jki h ILE 47 Ca -0.03 -0.34 -0.00 0.00 -1.37 0.00 0.00 64.86 63.12 2jki h ILE 47 Cb 0.23 1.26 0.00 0.00 0.47 0.00 0.00 36.82 38.78 2jki h ILE 47 CO 0.04 0.05 -0.04 -0.09 -3.07 0.00 0.00 178.15 175.04 2jki h ARG 48 N 0.00 -0.10 -0.59 2.19 2.43 -0.37 -2.99 114.38 114.95 2jki h ARG 48 Ca -0.00 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 2jki h ARG 48 Cb 0.26 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.77 2jki h ARG 48 CO 0.01 0.45 0.27 0.35 -1.51 0.00 0.00 179.97 179.53 2jki h PHE 49 N -0.82 0.48 0.00 2.20 3.04 -0.79 0.23 116.94 121.29 2jki h PHE 49 Ca -0.01 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.96 2jki h PHE 49 Cb 0.60 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.99 2jki h PHE 49 CO 0.13 0.18 0.09 0.93 -2.02 0.00 0.00 178.31 177.63 2jki h GLU 50 N 0.49 0.00 -0.00 1.11 5.08 -1.24 -2.35 114.58 117.66 2jki h GLU 50 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2jki h GLU 50 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2jki h GLU 50 CO -0.23 0.00 -0.96 -1.13 -1.00 0.00 0.00 179.01 175.68 2jki n SER 51 N -2.73 1.05 -0.10 1.42 3.41 0.78 -3.98 113.62 113.45 2jki n SER 51 Ca -0.02 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 2jki n SER 51 Cb 0.14 0.97 0.28 0.00 -0.26 0.00 0.00 64.21 65.35 2jki n SER 51 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2jki h LEU 52 N 0.13 0.68 -4.66 1.04 3.38 -1.02 -3.12 115.31 111.73 2jki h LEU 52 Ca 0.00 -0.06 -0.61 0.00 0.09 0.00 0.00 57.88 57.30 2jki h LEU 52 Cb 0.51 -0.17 -0.40 0.00 0.09 0.00 0.00 40.66 40.68 2jki h LEU 52 CO 0.00 0.58 -0.53 0.35 0.09 0.00 0.00 178.44 178.93 2jki n THR 53 N -4.37 2.60 0.00 0.22 -2.24 -1.26 -4.76 114.28 104.47 2jki n THR 53 Ca 0.05 -4.96 0.00 0.00 -2.27 0.00 0.00 64.05 56.87 2jki n THR 53 Cb 0.13 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.07 2jki n THR 53 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jki n ASP 54 N -0.46 0.00 0.17 3.42 -0.08 -1.18 -5.03 116.55 113.39 2jki n ASP 54 Ca 0.40 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.85 2jki n ASP 54 Cb 0.59 0.00 0.63 0.00 2.34 0.00 0.00 41.12 44.68 2jki n ASP 54 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2jki h LYS 55 N 0.00 0.00 0.00 -0.67 2.10 -1.86 -0.24 116.57 115.90 2jki h LYS 55 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2jki h LYS 55 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2jki h LYS 55 CO 0.00 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.32 2jki n SER 56 N -3.19 0.00 0.03 7.07 3.41 -1.26 -3.66 113.62 116.03 2jki n SER 56 Ca 0.05 -1.30 -0.13 0.00 -0.26 0.00 0.00 58.87 57.23 2jki n SER 56 Cb 0.71 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.65 2jki n SER 56 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2jki h LYS 57 N 0.00 0.52 -0.61 4.33 1.79 -1.38 -3.13 116.57 118.10 2jki h LYS 57 Ca 0.00 -0.45 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2jki h LYS 57 Cb 0.00 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2jki h LYS 57 CO 0.00 1.08 0.00 1.28 -1.08 0.00 0.00 179.45 180.73 2jki n LEU 58 N -3.85 3.51 -0.33 2.94 4.32 -1.24 -4.32 117.00 118.03 2jki n LEU 58 Ca -0.06 -1.76 0.06 0.00 -0.02 0.00 0.00 56.01 54.23 2jki n LEU 58 Cb 0.74 -0.45 0.22 0.00 -1.62 0.00 0.00 43.42 42.32 2jki n LEU 58 CO 0.50 0.74 1.19 0.44 -1.22 0.00 0.00 177.39 179.04 2jki h ASP 59 N 3.41 0.79 -0.18 -1.43 5.19 -1.74 -0.75 116.42 121.70 2jki h ASP 59 Ca 0.00 0.06 0.05 0.00 -0.62 0.00 0.00 57.03 56.52 2jki h ASP 59 Cb 0.98 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.39 2jki h ASP 59 CO 0.08 0.41 0.28 0.00 -3.12 0.00 0.00 179.24 176.89 2jki h ALA 60 N 1.53 1.68 0.00 3.45 0.00 -1.83 -3.39 119.26 120.70 2jki h ALA 60 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2jki h ALA 60 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2jki h ALA 60 CO -0.28 -0.37 0.00 0.94 0.00 0.00 0.00 179.25 179.54 2jki n GLN 61 N -3.47 0.00 0.10 0.00 0.00 -0.35 -4.49 117.38 109.16 2jki n GLN 61 Ca 0.02 0.00 0.13 0.00 -0.00 0.00 0.00 57.00 57.15 2jki n GLN 61 Cb 0.39 0.00 0.40 0.00 0.00 0.00 0.00 30.24 31.03 2jki n GLN 61 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 2jki n PRO 62 N 0.00 0.25 -3.34 3.69 -0.02 -0.86 -4.77 135.00 129.95 2jki n PRO 62 Ca 0.00 0.20 -0.38 0.00 -2.02 0.00 0.00 63.50 61.30 2jki n PRO 62 Cb 0.00 -1.78 -0.07 0.00 -0.02 0.00 0.00 33.50 31.63 2jki n PRO 62 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2jki s GLU 63 N -3.10 4.26 -0.46 -0.52 2.02 -1.26 -5.02 118.70 114.62 2jki s GLU 63 Ca 0.11 0.34 -0.24 0.00 0.02 0.00 0.00 54.97 55.20 2jki s GLU 63 Cb 0.13 -3.49 0.03 0.00 0.10 0.00 0.00 34.13 30.90 2jki s GLU 63 CO 0.60 0.05 0.83 -0.51 0.02 0.00 0.00 175.26 176.24 2jki s LEU 64 N 1.01 4.19 0.21 1.80 1.43 -1.26 -4.70 118.68 121.37 2jki s LEU 64 Ca 0.23 -0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.16 2jki s LEU 64 Cb -0.15 -3.02 -0.01 0.00 0.03 0.00 0.00 46.19 43.05 2jki s LEU 64 CO 0.09 -0.96 0.38 0.72 0.23 0.00 0.00 176.35 176.80 2jki s PHE 65 N 3.43 0.46 -0.07 0.29 -0.12 -1.26 -4.51 117.98 116.20 2jki s PHE 65 Ca 0.32 -0.80 -0.01 0.00 -0.05 0.00 0.00 56.93 56.39 2jki s PHE 65 Cb -0.12 0.03 0.03 0.00 -0.63 0.00 0.00 43.02 42.32 2jki s PHE 65 CO 0.24 -0.86 -0.02 0.42 -0.05 0.00 0.00 175.22 174.94 2jki s ILE 66 N -4.02 0.52 -0.08 -4.49 1.01 -0.81 -2.46 121.20 110.87 2jki s ILE 66 Ca 0.23 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.90 2jki s ILE 66 Cb 0.02 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.85 2jki s ILE 66 CO 0.06 0.27 -0.17 -1.00 0.00 0.00 0.00 174.94 174.10 2jki s HIS 67 N 1.63 2.66 -0.17 3.97 3.76 0.26 -1.14 115.29 126.27 2jki s HIS 67 Ca 0.00 -0.47 -0.01 0.00 -0.15 0.00 0.00 55.06 54.44 2jki s HIS 67 Cb -0.13 -1.69 -0.00 0.00 1.11 0.00 0.00 32.58 31.87 2jki s HIS 67 CO -0.04 -0.05 -0.13 0.42 -0.85 0.00 0.00 174.74 174.09 2jki s ILE 68 N -0.23 2.85 -0.34 0.60 1.01 0.34 -1.58 121.20 123.85 2jki s ILE 68 Ca 0.00 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 59.95 2jki s ILE 68 Cb -0.13 -2.23 0.11 0.00 0.01 0.00 0.00 42.46 40.22 2jki s ILE 68 CO 0.03 0.50 0.14 -0.63 0.00 0.00 0.00 174.94 174.97 2jki s ILE 69 N 0.93 0.92 -0.38 2.92 1.01 0.24 -0.97 121.20 125.87 2jki s ILE 69 Ca -0.03 -1.66 -0.22 0.00 0.00 0.00 0.00 60.65 58.75 2jki s ILE 69 Cb -0.15 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.65 2jki s ILE 69 CO -0.01 -0.75 0.71 -2.16 0.00 0.00 0.00 174.94 172.73 2jki s PRO 70 N 1.31 3.62 -0.48 2.79 0.05 -1.26 -2.30 135.00 138.73 2jki s PRO 70 Ca 0.12 0.08 -0.16 0.00 0.05 0.00 0.00 61.00 61.09 2jki s PRO 70 Cb -0.19 -3.84 0.08 0.00 0.05 0.00 0.00 34.50 30.59 2jki s PRO 70 CO -0.18 -0.87 0.42 0.34 0.05 0.00 0.00 177.00 176.77 2jki s ASP 71 N 1.89 6.16 0.28 6.66 2.15 0.60 -4.80 116.67 129.61 2jki s ASP 71 Ca 0.28 -1.36 0.00 0.00 0.43 0.00 0.00 52.55 51.90 2jki s ASP 71 Cb -0.14 -2.19 0.52 0.00 -0.30 0.00 0.00 42.92 40.81 2jki s ASP 71 CO 0.17 -0.69 1.85 0.11 -0.17 0.00 0.00 175.17 176.44 2jki h LYS 72 N 8.79 1.01 0.60 4.34 1.79 -1.91 -0.48 116.57 130.72 2jki h LYS 72 Ca -0.29 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.10 2jki h LYS 72 Cb 1.11 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2jki h LYS 72 CO 0.90 0.67 -0.39 0.00 -1.08 0.00 0.00 179.45 179.56 2jki h ALA 73 N 1.52 -1.18 -0.00 3.86 0.00 -1.96 -3.06 119.26 118.44 2jki h ALA 73 Ca 0.48 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2jki h ALA 73 Cb 0.41 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2jki h ALA 73 CO -0.24 -1.15 -0.13 0.25 0.00 0.00 0.00 179.25 177.97 2jki n THR 74 N -4.84 0.00 -2.99 0.00 -2.24 -1.20 -4.94 114.28 98.07 2jki n THR 74 Ca -0.11 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 2jki n THR 74 Cb 0.39 -0.21 0.06 0.00 -2.10 0.00 0.00 70.33 68.48 2jki n THR 74 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jki n SER 75 N -1.24 -2.60 -3.97 3.42 7.64 -0.24 -4.87 113.62 111.76 2jki n SER 75 Ca 0.11 -0.46 -0.24 0.00 1.01 0.00 0.00 58.87 59.29 2jki n SER 75 Cb 0.30 -3.87 -0.17 0.00 -1.01 0.00 0.00 64.21 59.47 2jki n SER 75 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2jki s THR 76 N -3.26 0.95 -0.09 0.44 -4.23 -0.90 -1.97 115.64 106.57 2jki s THR 76 Ca 0.06 -0.35 -0.17 0.00 -1.18 0.00 0.00 61.69 60.04 2jki s THR 76 Cb -0.01 -0.91 -0.05 0.00 1.34 0.00 0.00 72.50 72.88 2jki s THR 76 CO 0.53 0.32 0.46 -0.22 -0.54 0.00 0.00 174.62 175.17 2jki s LEU 77 N 0.87 4.32 -0.02 4.79 2.96 -0.88 -0.29 118.68 130.43 2jki s LEU 77 Ca -0.11 0.84 0.01 0.00 -0.22 0.00 0.00 54.13 54.65 2jki s LEU 77 Cb -0.15 -2.66 0.01 0.00 0.50 0.00 0.00 46.19 43.89 2jki s LEU 77 CO 0.01 0.07 -0.04 0.28 -1.32 0.00 0.00 176.35 175.35 2jki s THR 78 N 0.27 0.43 -0.09 3.68 -1.32 -0.97 0.03 115.64 117.67 2jki s THR 78 Ca 0.25 -0.15 0.05 0.00 -1.21 0.00 0.00 61.69 60.63 2jki s THR 78 Cb -0.15 -0.42 -0.00 0.00 -1.51 0.00 0.00 72.50 70.42 2jki s THR 78 CO 0.11 0.16 -0.24 -0.63 -2.21 0.00 0.00 174.62 171.81 2jki s ILE 79 N 0.38 2.09 -0.01 5.08 1.01 0.34 -0.60 121.20 129.49 2jki s ILE 79 Ca -0.04 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 59.60 2jki s ILE 79 Cb -0.08 -1.78 -0.00 0.00 0.01 0.00 0.00 42.46 40.61 2jki s ILE 79 CO -0.00 0.56 -0.07 0.54 0.00 0.00 0.00 174.94 175.97 2jki s VAL 80 N 0.16 0.58 0.17 2.92 0.11 -0.61 0.08 120.40 123.82 2jki s VAL 80 Ca -0.13 -0.30 0.03 0.00 -2.93 0.00 0.00 61.98 58.65 2jki s VAL 80 Cb -0.16 -0.50 -0.05 0.00 -1.53 0.00 0.00 36.38 34.14 2jki s VAL 80 CO 0.07 0.17 -0.05 1.51 -3.33 0.00 0.00 175.10 173.47 2jki s ASP 81 N -0.08 1.61 -0.55 3.54 1.47 -0.38 -0.57 116.67 121.72 2jki s ASP 81 Ca 0.01 -1.10 0.01 0.00 1.18 0.00 0.00 52.55 52.65 2jki s ASP 81 Cb -0.04 0.03 0.48 0.00 -0.34 0.00 0.00 42.92 43.06 2jki s ASP 81 CO -0.00 -0.44 1.83 -1.54 0.68 0.00 0.00 175.17 175.70 2jki n SER 82 N -0.25 6.37 -2.44 2.11 3.41 -1.03 -2.54 113.62 119.25 2jki n SER 82 Ca -0.08 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.77 2jki n SER 82 Cb 0.62 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 2jki n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jki n GLY 83 N -0.92 -1.83 0.25 5.00 0.00 -1.26 -4.71 105.19 101.72 2jki n GLY 83 Ca 0.57 -1.54 0.14 0.00 0.00 0.00 0.00 46.02 45.20 2jki n GLY 83 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jki h ILE 84 N -1.14 0.25 -0.23 -0.61 2.10 -1.58 -3.19 117.51 113.11 2jki h ILE 84 Ca 0.00 -0.76 0.03 0.00 1.08 0.00 0.00 64.86 65.21 2jki h ILE 84 Cb 0.00 1.61 -0.01 0.00 -1.09 0.00 0.00 36.82 37.33 2jki h ILE 84 CO 0.00 0.09 -0.04 0.61 -1.08 0.00 0.00 178.15 177.73 2jki n GLY 85 N 0.05 -1.36 3.21 8.18 0.00 -1.26 -4.39 105.19 109.62 2jki n GLY 85 Ca 0.00 -1.51 -0.27 0.00 0.00 0.00 0.00 46.02 44.24 2jki n GLY 85 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jki s MET 86 N -1.16 1.71 0.91 1.61 1.00 -1.26 -4.80 119.30 117.31 2jki s MET 86 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 55.69 54.83 2jki s MET 86 Cb 0.00 -1.63 0.14 0.00 0.00 0.00 0.00 34.83 33.34 2jki s MET 86 CO 0.00 0.42 1.16 0.95 0.00 0.00 0.00 175.02 177.55 2jki s THR 87 N -0.43 1.98 0.16 2.05 -4.23 -1.26 -3.55 115.64 110.36 2jki s THR 87 Ca 0.06 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.43 2jki s THR 87 Cb -0.08 -2.80 0.04 0.00 1.34 0.00 0.00 72.50 71.00 2jki s THR 87 CO -0.00 0.00 1.74 0.50 -0.54 0.00 0.00 174.62 176.32 2jki h LYS 88 N -1.49 0.72 -0.94 3.99 3.64 -1.97 -1.57 116.57 118.96 2jki h LYS 88 Ca -0.49 -0.10 0.10 0.00 -1.27 0.00 0.00 60.65 58.88 2jki h LYS 88 Cb 1.32 -0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.94 2jki h LYS 88 CO 0.59 0.60 0.58 1.03 -2.27 0.00 0.00 179.45 179.98 2jki h SER 89 N 0.67 0.86 -0.54 4.20 0.87 -1.99 -0.26 113.55 117.35 2jki h SER 89 Ca 0.17 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 2jki h SER 89 Cb 0.11 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 2jki h SER 89 CO -0.02 0.49 0.26 0.44 -0.53 0.00 0.00 176.83 177.46 2jki h ASP 90 N 0.96 0.70 0.01 6.23 3.32 -1.72 -1.22 116.42 124.70 2jki h ASP 90 Ca 0.45 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.38 2jki h ASP 90 Cb 0.38 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2jki h ASP 90 CO -0.24 0.64 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.78 2jki h LEU 91 N 0.72 -0.18 -1.56 1.55 3.38 -0.14 0.50 115.31 119.58 2jki h LEU 91 Ca 0.19 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 2jki h LEU 91 Cb 0.12 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2jki h LEU 91 CO -0.02 -0.10 -0.22 0.58 0.09 0.00 0.00 178.44 178.77 2jki h VAL 92 N -0.12 1.15 0.16 1.22 2.07 -1.11 -2.29 116.25 117.33 2jki h VAL 92 Ca 0.02 -0.76 -0.35 0.00 0.82 0.00 0.00 66.70 66.43 2jki h VAL 92 Cb 0.15 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2jki h VAL 92 CO -0.06 0.22 -1.78 0.78 0.02 0.00 0.00 177.57 176.75 2jki h ASN 93 N 0.00 0.54 0.08 0.57 2.35 -0.70 -2.96 115.58 115.46 2jki h ASN 93 Ca -0.00 -0.88 -0.36 0.00 -0.55 0.00 0.00 56.30 54.51 2jki h ASN 93 Cb 0.39 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 2jki h ASN 93 CO 0.03 1.75 -2.07 0.59 -1.65 0.00 0.00 177.43 176.08 2jki n ASN 94 N -3.54 2.06 -2.12 5.81 5.03 0.12 -3.06 115.26 119.56 2jki n ASN 94 Ca -0.25 0.15 -0.21 0.00 0.87 0.00 0.00 54.58 55.14 2jki n ASN 94 Cb 1.07 -0.76 0.00 0.00 -1.02 0.00 0.00 39.78 39.07 2jki n ASN 94 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2jki n LEU 95 N -3.56 6.50 0.00 3.41 4.77 -0.86 -4.71 117.00 122.56 2jki n LEU 95 Ca -0.36 -3.61 0.00 0.00 -0.03 0.00 0.00 56.01 52.01 2jki n LEU 95 Cb 0.99 -1.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2jki n LEU 95 CO 0.35 1.42 0.00 0.61 -1.33 0.00 0.00 177.39 178.44 2jki n GLY 96 N 0.52 0.61 0.12 -0.72 0.00 -1.26 -4.91 105.19 99.54 2jki n GLY 96 Ca 0.38 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.25 2jki n GLY 96 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jki n THR 97 N 0.00 1.50 -3.87 2.61 -1.04 -1.12 -1.59 114.28 110.77 2jki n THR 97 Ca 0.00 -0.70 -0.36 0.00 -2.04 0.00 0.00 64.05 60.95 2jki n THR 97 Cb 0.00 -1.10 -0.07 0.00 -1.82 0.00 0.00 70.33 67.34 2jki n THR 97 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2jki s ILE 98 N -2.52 5.34 -0.44 12.58 -1.09 -1.17 -4.50 121.20 129.39 2jki s ILE 98 Ca -0.23 0.15 -0.08 0.00 -2.23 0.00 0.00 60.65 58.27 2jki s ILE 98 Cb 0.08 -3.36 0.10 0.00 -1.58 0.00 0.00 42.46 37.70 2jki s ILE 98 CO 0.71 0.55 0.29 0.00 -1.23 0.00 0.00 174.94 175.26 2jki s ALA 99 N -0.44 3.31 1.01 9.38 0.00 -1.26 -4.87 121.76 128.89 2jki s ALA 99 Ca 0.12 -2.40 -0.12 0.00 0.00 0.00 0.00 51.96 49.55 2jki s ALA 99 Cb -0.12 -2.68 0.17 0.00 0.00 0.00 0.00 23.12 20.49 2jki s ALA 99 CO 0.02 -1.80 0.92 0.54 0.00 0.00 0.00 175.76 175.44 2jki n ARG 100 N 4.85 -1.11 -0.12 0.00 1.74 -1.26 -4.88 116.66 115.88 2jki n ARG 100 Ca -0.08 -0.27 -0.03 0.00 -0.77 0.00 0.00 57.85 56.70 2jki n ARG 100 Cb 0.42 -2.20 0.19 0.00 -1.02 0.00 0.00 32.46 29.85 2jki n ARG 100 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2jki h SER 101 N -2.10 0.76 -0.03 0.55 4.64 -1.96 -2.26 113.55 113.16 2jki h SER 101 Ca -0.49 -0.15 0.01 0.00 -0.47 0.00 0.00 61.79 60.69 2jki h SER 101 Cb 1.30 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2jki h SER 101 CO 0.42 0.77 0.07 1.23 -0.87 0.00 0.00 176.83 178.45 2jki h GLY 102 N 0.97 0.00 0.82 -0.77 0.00 -1.91 -3.02 103.07 99.16 2jki h GLY 102 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 2jki h GLY 102 CO 0.00 0.00 -0.37 -0.84 0.00 0.00 0.00 176.54 175.33 2jki h THR 103 N 0.00 0.24 0.10 4.70 2.02 -1.56 0.54 112.91 118.95 2jki h THR 103 Ca 0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 2jki h THR 103 Cb 0.16 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2jki h THR 103 CO -0.00 0.00 -0.05 0.50 0.37 0.00 0.00 175.52 176.34 2jki h LYS 104 N -0.92 -0.13 -0.59 6.66 3.64 -1.73 -2.60 116.57 120.92 2jki h LYS 104 Ca -0.07 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.42 2jki h LYS 104 Cb 0.75 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.48 2jki h LYS 104 CO 0.06 0.11 -0.36 0.93 -2.27 0.00 0.00 179.45 177.93 2jki h GLU 105 N -0.36 -0.17 -0.23 1.90 5.08 -1.41 -1.56 114.58 117.83 2jki h GLU 105 Ca -0.01 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2jki h GLU 105 Cb 0.30 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 2jki h GLU 105 CO 0.02 -0.11 -0.36 0.35 -1.00 0.00 0.00 179.01 177.91 2jki h PHE 106 N -0.18 -1.01 -0.73 4.33 3.57 0.19 -0.85 116.94 122.26 2jki h PHE 106 Ca 0.22 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.85 2jki h PHE 106 Cb 0.55 0.48 -0.06 0.00 2.79 0.00 0.00 35.95 39.71 2jki h PHE 106 CO -0.65 -0.42 0.40 0.52 -2.23 0.00 0.00 178.31 175.93 2jki h MET 107 N -0.37 0.69 0.12 1.11 2.86 -0.96 0.39 114.93 118.77 2jki h MET 107 Ca 0.12 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2jki h MET 107 Cb 0.57 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 2jki h MET 107 CO -0.44 0.46 -0.22 0.93 1.06 0.00 0.00 176.91 178.70 2jki h GLU 108 N 0.71 -0.40 -0.91 1.72 5.08 -0.70 -1.56 114.58 118.51 2jki h GLU 108 Ca 0.34 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.83 2jki h GLU 108 Cb 0.28 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 2jki h GLU 108 CO -0.22 -0.27 0.55 0.00 -1.00 0.00 0.00 179.01 178.07 2jki h ALA 109 N 0.36 1.33 -0.06 3.43 0.00 -0.36 -0.56 119.26 123.40 2jki h ALA 109 Ca 0.02 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2jki h ALA 109 Cb 0.44 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2jki h ALA 109 CO -0.12 0.18 -0.14 -0.07 0.00 0.00 0.00 179.25 179.10 2jki h LEU 110 N 0.91 -0.43 -0.97 0.00 3.38 0.47 -0.99 115.31 117.68 2jki h LEU 110 Ca 0.44 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.38 2jki h LEU 110 Cb 0.39 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2jki h LEU 110 CO -0.25 -0.19 -0.43 0.00 0.09 0.00 0.00 178.44 177.66 2jki h ALA 111 N 0.79 1.13 0.00 1.53 0.00 -0.63 0.19 119.26 122.27 2jki h ALA 111 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2jki h ALA 111 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jki h ALA 111 CO -0.18 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.66 2jki n ALA 112 N -2.47 1.99 -1.95 0.00 0.00 -0.28 -4.79 120.51 113.01 2jki n ALA 112 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2jki n ALA 112 Cb 0.48 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.93 2jki n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jki n GLY 113 N 0.06 0.73 3.92 0.00 0.00 0.04 -5.03 105.19 104.91 2jki n GLY 113 Ca 0.00 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 2jki n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jki s ALA 114 N -2.36 3.06 -0.11 4.61 0.00 -0.43 -5.01 121.76 121.52 2jki s ALA 114 Ca 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 51.96 51.10 2jki s ALA 114 Cb 0.00 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 2jki s ALA 114 CO 0.00 -1.28 0.16 0.34 0.00 0.00 0.00 175.76 174.98 2jki s ASP 115 N -4.48 6.42 0.66 0.00 2.15 -1.26 -4.73 116.67 115.43 2jki s ASP 115 Ca 0.59 0.51 0.42 0.00 0.43 0.00 0.00 52.55 54.50 2jki s ASP 115 Cb -0.11 -2.08 2.29 0.00 -0.30 0.00 0.00 42.92 42.72 2jki s ASP 115 CO 0.46 0.40 2.29 1.62 -0.17 0.00 0.00 175.17 179.77 2jki h VAL 116 N 3.92 0.00 0.00 1.11 3.04 -1.96 0.05 116.25 122.40 2jki h VAL 116 Ca -0.55 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 2jki h VAL 116 Cb 1.23 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 2jki h VAL 116 CO 0.59 0.00 0.00 0.77 -1.01 0.00 0.00 177.57 177.92 2jki h SER 117 N 0.00 0.00 0.14 3.17 4.64 -1.94 -1.05 113.55 118.51 2jki h SER 117 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jki h SER 117 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2jki h SER 117 CO 0.00 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.19 2jki n MET 118 N -2.30 0.81 0.18 4.77 2.81 0.00 -3.87 117.12 119.53 2jki n MET 118 Ca -0.01 0.00 0.18 0.00 -1.81 0.00 0.00 57.70 56.07 2jki n MET 118 Cb 0.08 -1.50 0.81 0.00 -0.71 0.00 0.00 33.22 31.90 2jki n MET 118 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 2jki h ILE 119 N 0.00 0.43 -0.01 2.02 2.10 -1.39 0.01 117.51 120.68 2jki h ILE 119 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 2jki h ILE 119 Cb 0.07 0.79 0.00 0.00 -1.09 0.00 0.00 36.82 36.59 2jki h ILE 119 CO 0.00 0.00 -0.01 1.23 -1.08 0.00 0.00 178.15 178.29 2jki h GLY 120 N 0.00 0.02 2.00 8.18 0.00 -1.83 -3.02 103.07 108.42 2jki h GLY 120 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2jki h GLY 120 CO -0.00 0.02 0.00 1.46 0.00 0.00 0.00 176.54 178.02 2jki h GLN 121 N -0.57 0.00 -0.48 4.80 4.20 -1.27 -1.28 115.11 120.50 2jki h GLN 121 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2jki h GLN 121 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2jki h GLN 121 CO 0.00 0.00 0.00 1.19 -0.67 0.00 0.00 178.83 179.35 2jki n PHE 122 N -2.53 0.63 -1.29 2.96 3.72 -1.07 -4.96 117.46 114.92 2jki n PHE 122 Ca -0.01 -0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 2jki n PHE 122 Cb 0.10 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 2jki n PHE 122 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jki n GLY 123 N 1.55 0.41 1.70 1.37 0.00 -0.48 -3.93 105.19 105.80 2jki n GLY 123 Ca 0.21 -1.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.22 2jki n GLY 123 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jki n VAL 124 N -3.28 1.21 -0.28 1.61 0.24 -1.15 -4.90 118.33 111.79 2jki n VAL 124 Ca 0.00 -2.49 0.20 0.00 -2.04 0.00 0.00 64.34 60.01 2jki n VAL 124 Cb 0.16 0.46 0.49 0.00 -1.47 0.00 0.00 33.84 33.48 2jki n VAL 124 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2jki h GLY 125 N 1.58 1.06 0.50 7.63 0.00 -1.76 -2.88 103.07 109.20 2jki h GLY 125 Ca -0.06 -0.21 0.10 0.00 0.00 0.00 0.00 47.33 47.16 2jki h GLY 125 CO 0.20 -0.04 0.50 -2.75 0.00 0.00 0.00 176.54 174.45 2jki h PHE 126 N 0.45 0.91 0.00 5.60 3.57 -1.91 -1.59 116.94 123.97 2jki h PHE 126 Ca 0.52 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.05 2jki h PHE 126 Cb 1.24 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.70 2jki h PHE 126 CO -0.00 0.36 0.00 0.66 -2.23 0.00 0.00 178.31 177.10 2jki n TYR 127 N -4.72 0.00 0.32 0.41 4.01 -1.09 -2.20 117.16 113.89 2jki n TYR 127 Ca 0.15 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 58.06 2jki n TYR 127 Cb 0.30 -0.48 0.94 0.00 -0.31 0.00 0.00 39.34 39.79 2jki n TYR 127 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2jki h SER 128 N 0.00 0.00 -0.51 7.72 4.64 -1.45 0.16 113.55 124.11 2jki h SER 128 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2jki h SER 128 Cb 0.35 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 2jki h SER 128 CO 0.00 0.00 0.34 0.00 -0.87 0.00 0.00 176.83 176.30 2jki h ALA 129 N 1.60 1.69 0.00 5.18 0.00 -1.64 -0.97 119.26 125.11 2jki h ALA 129 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jki h ALA 129 Cb 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jki h ALA 129 CO 0.00 0.27 0.00 0.66 0.00 0.00 0.00 179.25 180.18 2jki n TYR 130 N -4.47 0.00 -0.12 0.00 4.02 0.04 -0.85 117.16 115.79 2jki n TYR 130 Ca 0.05 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.93 2jki n TYR 130 Cb 0.09 -0.03 0.25 0.00 -0.02 0.00 0.00 39.34 39.63 2jki n TYR 130 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2jki h LEU 131 N 0.00 0.72 0.00 7.72 3.38 -1.32 -3.35 115.31 122.46 2jki h LEU 131 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2jki h LEU 131 Cb 0.03 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2jki h LEU 131 CO 0.00 0.64 -0.29 1.33 0.09 0.00 0.00 178.44 180.22 2jki n VAL 132 N -4.34 0.00 -4.17 1.22 0.24 -0.80 -5.01 118.33 105.47 2jki n VAL 132 Ca 0.05 -0.30 -0.30 0.00 -2.04 0.00 0.00 64.34 61.75 2jki n VAL 132 Cb 0.15 0.82 -0.09 0.00 -1.47 0.00 0.00 33.84 33.25 2jki n VAL 132 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jki s ALA 133 N -1.17 3.15 -0.10 2.33 0.00 -0.03 -1.01 121.76 124.93 2jki s ALA 133 Ca 0.00 -1.20 0.18 0.00 0.00 0.00 0.00 51.96 50.94 2jki s ALA 133 Cb 0.00 -1.05 -0.27 0.00 0.00 0.00 0.00 23.12 21.80 2jki s ALA 133 CO 0.00 0.65 0.26 -0.85 0.00 0.00 0.00 175.76 175.82 2jki n GLU 134 N 0.53 0.79 -3.77 0.00 0.28 -0.19 -4.46 120.64 113.82 2jki n GLU 134 Ca -0.12 -0.10 -0.14 0.00 -0.16 0.00 0.00 57.16 56.65 2jki n GLU 134 Cb 0.52 -1.47 -0.14 0.00 1.43 0.00 0.00 31.44 31.78 2jki n GLU 134 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2jki s ARG 135 N -2.93 0.08 -0.05 3.44 3.52 -1.23 -4.60 118.95 117.18 2jki s ARG 135 Ca -0.08 0.30 0.06 0.00 -0.13 0.00 0.00 55.73 55.87 2jki s ARG 135 Cb 0.09 -0.14 -0.02 0.00 -1.56 0.00 0.00 34.95 33.32 2jki s ARG 135 CO 0.79 -0.14 -0.22 0.08 -0.81 0.00 0.00 175.30 175.01 2jki s VAL 136 N 0.94 2.35 -0.32 7.11 1.01 -0.92 -0.97 120.40 129.60 2jki s VAL 136 Ca -0.07 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 60.94 2jki s VAL 136 Cb -0.10 -1.87 0.10 0.00 0.00 0.00 0.00 36.38 34.51 2jki s VAL 136 CO -0.04 0.57 0.09 -0.69 0.00 0.00 0.00 175.10 175.03 2jki s VAL 137 N -0.37 1.22 -0.12 2.92 1.01 -0.40 -2.13 120.40 122.52 2jki s VAL 137 Ca 0.03 -1.64 -0.18 0.00 0.00 0.00 0.00 61.98 60.19 2jki s VAL 137 Cb -0.12 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2jki s VAL 137 CO 0.02 -0.66 0.48 -0.69 0.00 0.00 0.00 175.10 174.24 2jki s VAL 138 N 1.43 5.19 -0.08 2.92 1.01 0.76 -2.02 120.40 129.60 2jki s VAL 138 Ca 0.10 0.95 0.01 0.00 0.00 0.00 0.00 61.98 63.04 2jki s VAL 138 Cb -0.18 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.40 2jki s VAL 138 CO -0.21 0.32 -0.11 0.28 0.00 0.00 0.00 175.10 175.39 2jki s THR 139 N 0.68 1.08 0.01 3.92 -1.32 -0.74 0.53 115.64 119.80 2jki s THR 139 Ca 0.26 -0.41 -0.04 0.00 -1.21 0.00 0.00 61.69 60.29 2jki s THR 139 Cb -0.15 -1.03 -0.01 0.00 -1.51 0.00 0.00 72.50 69.81 2jki s THR 139 CO 0.10 0.35 0.06 0.28 -2.21 0.00 0.00 174.62 173.21 2jki s THR 140 N 1.00 0.09 -0.08 5.08 -1.32 -0.30 -0.26 115.64 119.85 2jki s THR 140 Ca -0.08 -0.76 -0.01 0.00 -1.21 0.00 0.00 61.69 59.63 2jki s THR 140 Cb -0.15 -0.35 0.03 0.00 -1.51 0.00 0.00 72.50 70.52 2jki s THR 140 CO -0.00 -0.42 -0.02 -0.75 -2.21 0.00 0.00 174.62 171.22 2jki s LYS 141 N -1.36 0.82 -0.07 7.08 2.47 0.51 -1.03 119.74 128.16 2jki s LYS 141 Ca -0.15 0.02 0.01 0.00 -1.56 0.00 0.00 55.97 54.29 2jki s LYS 141 Cb -0.08 -1.10 -0.03 0.00 -1.46 0.00 0.00 37.83 35.16 2jki s LYS 141 CO 0.00 -0.28 -0.07 -1.58 0.16 0.00 0.00 175.35 173.58 2jki s HIS 142 N 1.86 2.94 0.31 4.03 5.65 -1.23 -0.95 115.29 127.90 2jki s HIS 142 Ca 0.04 -0.01 0.14 0.00 0.25 0.00 0.00 55.06 55.48 2jki s HIS 142 Cb -0.12 -1.73 1.05 0.00 -1.18 0.00 0.00 32.58 30.60 2jki s HIS 142 CO -0.06 0.30 1.38 0.09 -0.65 0.00 0.00 174.74 175.80 2jki n ASN 143 N 2.33 0.20 0.08 9.88 3.02 -1.26 -0.82 115.26 128.68 2jki n ASN 143 Ca -0.18 1.47 0.13 0.00 -0.03 0.00 0.00 54.58 55.97 2jki n ASN 143 Cb 0.53 -0.67 0.36 0.00 -0.61 0.00 0.00 39.78 39.39 2jki n ASN 143 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2jki n ASP 144 N -5.06 0.68 -3.10 6.41 10.43 -1.26 -4.88 116.55 119.76 2jki n ASP 144 Ca 0.30 0.40 -0.18 0.00 2.57 0.00 0.00 54.79 57.88 2jki n ASP 144 Cb 1.01 -0.45 -0.06 0.00 1.84 0.00 0.00 41.12 43.46 2jki n ASP 144 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 2jki n ASP 145 N -2.10 0.42 -4.85 -2.24 -0.08 0.00 -5.11 116.55 102.60 2jki n ASP 145 Ca 0.05 -2.72 -0.22 0.00 -1.51 0.00 0.00 54.79 50.39 2jki n ASP 145 Cb 0.42 1.03 0.07 0.00 2.34 0.00 0.00 41.12 44.98 2jki n ASP 145 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2jki s GLU 146 N -3.16 2.13 0.15 -0.67 2.02 -1.26 -4.30 118.70 113.61 2jki s GLU 146 Ca 0.23 -1.04 -0.30 0.00 0.02 0.00 0.00 54.97 53.87 2jki s GLU 146 Cb 0.01 -2.44 -0.08 0.00 0.10 0.00 0.00 34.13 31.72 2jki s GLU 146 CO 0.16 -1.05 1.28 -1.14 0.02 0.00 0.00 175.26 174.53 2jki s GLN 147 N -4.91 4.40 0.27 1.61 0.74 -1.26 -4.48 119.66 116.03 2jki s GLN 147 Ca 0.62 1.97 0.04 0.00 0.05 0.00 0.00 55.36 58.03 2jki s GLN 147 Cb -0.08 -3.24 -0.06 0.00 1.10 0.00 0.00 33.01 30.73 2jki s GLN 147 CO 0.41 -0.26 0.02 0.71 -0.55 0.00 0.00 175.29 175.63 2jki s TYR 148 N 0.47 1.72 -0.08 1.67 2.02 -0.19 -1.04 117.35 121.91 2jki s TYR 148 Ca 0.58 -0.95 -0.00 0.00 -0.37 0.00 0.00 57.07 56.33 2jki s TYR 148 Cb -0.34 -1.04 0.02 0.00 -0.40 0.00 0.00 41.96 40.20 2jki s TYR 148 CO 0.34 -0.04 -0.04 0.08 -1.57 0.00 0.00 175.55 174.32 2jki s VAL 149 N -3.39 0.69 -0.17 0.71 1.01 0.17 -1.15 120.40 118.27 2jki s VAL 149 Ca 0.32 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 2jki s VAL 149 Cb 0.07 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 2jki s VAL 149 CO 0.12 0.30 0.19 0.86 0.00 0.00 0.00 175.10 176.57 2jki s TRP 150 N 1.64 3.46 -0.03 5.22 -0.00 0.19 -0.81 118.94 128.60 2jki s TRP 150 Ca 0.01 0.47 -0.03 0.00 -0.00 0.00 0.00 56.10 56.56 2jki s TRP 150 Cb -0.13 -2.19 0.01 0.00 -0.00 0.00 0.00 33.47 31.16 2jki s TRP 150 CO -0.05 0.35 0.08 -2.00 -0.00 0.00 0.00 176.95 175.33 2jki s GLU 151 N 0.15 0.09 0.00 5.86 2.12 -0.66 -0.17 118.70 126.09 2jki s GLU 151 Ca 0.12 0.13 -0.23 0.00 0.36 0.00 0.00 54.97 55.35 2jki s GLU 151 Cb -0.12 0.02 0.05 0.00 0.26 0.00 0.00 34.13 34.34 2jki s GLU 151 CO 0.01 -0.03 0.51 0.45 -0.54 0.00 0.00 175.26 175.67 2jki s SER 152 N 0.16 -0.44 -0.05 -1.70 0.15 -0.91 -1.51 113.70 109.41 2jki s SER 152 Ca -0.01 0.31 0.09 0.00 0.70 0.00 0.00 55.95 57.04 2jki s SER 152 Cb -0.02 0.46 0.21 0.00 -1.71 0.00 0.00 66.02 64.96 2jki s SER 152 CO -0.00 -0.62 1.15 0.00 1.20 0.00 0.00 173.24 174.97 2jki n GLN 153 N 0.76 2.61 -1.04 5.44 6.02 -1.26 -2.17 117.38 127.74 2jki n GLN 153 Ca -0.19 -2.04 -0.02 0.00 -0.01 0.00 0.00 57.00 54.74 2jki n GLN 153 Cb 0.58 -1.28 -0.01 0.00 1.02 0.00 0.00 30.24 30.55 2jki n GLN 153 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jki n ALA 154 N -0.44 -0.02 -0.21 -1.58 0.00 -1.26 -4.88 120.51 112.12 2jki n ALA 154 Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2jki n ALA 154 Cb 0.46 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.30 2jki n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jki n GLY 155 N -1.79 2.39 2.56 0.00 0.00 -1.26 -4.75 105.19 102.34 2jki n GLY 155 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2jki n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jki n GLY 156 N 1.31 1.80 3.55 -0.02 0.00 -1.26 -4.98 105.19 105.59 2jki n GLY 156 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2jki n GLY 156 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jki s SER 157 N -3.38 0.03 0.17 1.61 1.04 -1.26 -1.68 113.70 110.23 2jki s SER 157 Ca 0.00 -1.03 -0.11 0.00 0.48 0.00 0.00 55.95 55.30 2jki s SER 157 Cb 0.00 0.58 -0.00 0.00 0.10 0.00 0.00 66.02 66.70 2jki s SER 157 CO 0.00 -1.15 0.33 0.72 0.98 0.00 0.00 173.24 174.13 2jki s PHE 158 N -3.89 0.29 0.04 5.02 -0.12 0.48 -4.51 117.98 115.28 2jki s PHE 158 Ca 0.24 -0.65 0.08 0.00 -0.05 0.00 0.00 56.93 56.56 2jki s PHE 158 Cb -0.00 0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.40 2jki s PHE 158 CO 0.10 -0.76 -0.23 0.95 -0.05 0.00 0.00 175.22 175.24 2jki s THR 159 N -3.95 1.87 -0.10 -4.49 -4.23 -0.57 -1.07 115.64 103.12 2jki s THR 159 Ca 0.15 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.44 2jki s THR 159 Cb 0.02 -1.61 -0.01 0.00 1.34 0.00 0.00 72.50 72.25 2jki s THR 159 CO -0.01 0.30 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.46 2jki s VAL 160 N -0.78 2.24 -0.00 2.29 1.01 -0.63 -1.65 120.40 122.88 2jki s VAL 160 Ca 0.09 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2jki s VAL 160 Cb -0.09 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 2jki s VAL 160 CO 0.02 0.56 -0.02 -0.89 0.00 0.00 0.00 175.10 174.77 2jki s THR 161 N 0.21 0.13 0.28 3.92 2.01 0.01 -0.97 115.64 121.22 2jki s THR 161 Ca -0.14 -0.06 -0.29 0.00 0.31 0.00 0.00 61.69 61.51 2jki s THR 161 Cb -0.17 -0.12 -0.10 0.00 0.01 0.00 0.00 72.50 72.13 2jki s THR 161 CO 0.07 0.04 1.22 -0.60 -0.69 0.00 0.00 174.62 174.66 2jki s ARG 162 N 0.00 4.48 -0.18 4.92 3.52 -1.11 0.42 118.95 131.01 2jki s ARG 162 Ca 0.00 2.00 -0.22 0.00 -0.13 0.00 0.00 55.73 57.39 2jki s ARG 162 Cb -0.01 -3.15 -0.02 0.00 -1.56 0.00 0.00 34.95 30.20 2jki s ARG 162 CO -0.00 -0.03 0.67 0.34 -0.81 0.00 0.00 175.30 175.47 2jki s ASP 163 N -0.45 6.77 0.11 -2.12 3.68 -0.21 -4.77 116.67 119.67 2jki s ASP 163 Ca 0.49 0.93 0.00 0.00 2.13 0.00 0.00 52.55 56.10 2jki s ASP 163 Cb -0.36 -2.37 0.00 0.00 -1.45 0.00 0.00 42.92 38.74 2jki s ASP 163 CO 0.45 -0.28 0.00 0.35 0.13 0.00 0.00 175.17 175.82 2jki n THR 164 N 4.60 0.85 0.39 1.71 -2.24 -1.26 -4.80 114.28 113.53 2jki n THR 164 Ca -0.00 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 2jki n THR 164 Cb 0.50 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 2jki n THR 164 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jki n SER 165 N -3.32 3.47 -4.39 3.42 7.64 -1.26 -4.79 113.62 114.38 2jki n SER 165 Ca 0.00 -1.96 -0.22 0.00 1.01 0.00 0.00 58.87 57.70 2jki n SER 165 Cb 0.00 -0.66 -0.11 0.00 -1.01 0.00 0.00 64.21 62.44 2jki n SER 165 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2jki s GLY 166 N 1.38 1.59 -0.01 0.23 0.00 -1.26 -5.11 107.32 104.13 2jki s GLY 166 Ca 0.00 -1.67 -0.30 0.00 0.00 0.00 0.00 44.72 42.75 2jki s GLY 166 CO 0.00 -1.74 1.09 1.85 0.00 0.00 0.00 173.10 174.30 2jki s GLU 167 N -3.22 4.46 -0.08 2.90 2.12 -1.26 -4.99 118.70 118.62 2jki s GLU 167 Ca 0.22 1.57 -0.28 0.00 0.36 0.00 0.00 54.97 56.84 2jki s GLU 167 Cb -0.04 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 2jki s GLU 167 CO 0.10 -0.24 0.91 -0.65 -0.54 0.00 0.00 175.26 174.83 2jki s GLN 168 N 1.46 4.44 0.41 4.30 -1.52 -1.26 -5.04 119.66 122.45 2jki s GLN 168 Ca 0.54 1.23 -0.15 0.00 -1.95 0.00 0.00 55.36 55.04 2jki s GLN 168 Cb -0.24 -3.51 -0.08 0.00 -0.22 0.00 0.00 33.01 28.96 2jki s GLN 168 CO 0.25 -0.17 0.84 -0.51 -0.25 0.00 0.00 175.29 175.45 2jki s LEU 169 N 1.53 3.86 0.02 2.90 1.43 -1.26 -4.98 118.68 122.18 2jki s LEU 169 Ca 0.45 1.36 -0.23 0.00 -1.03 0.00 0.00 54.13 54.68 2jki s LEU 169 Cb -0.19 -4.23 -0.17 0.00 0.03 0.00 0.00 46.19 41.64 2jki s LEU 169 CO 0.20 -0.39 1.40 1.23 0.23 0.00 0.00 176.35 179.02 2jki h GLY 170 N 1.53 0.13 -4.70 -3.19 0.00 -1.95 -3.47 103.07 91.42 2jki h GLY 170 Ca -0.48 -0.11 0.02 0.00 0.00 0.00 0.00 47.33 46.76 2jki h GLY 170 CO 0.63 0.10 0.35 -1.60 0.00 0.00 0.00 176.54 176.02 2jki s ARG 171 N -4.70 0.73 0.00 4.80 3.52 -1.26 -4.74 118.95 117.29 2jki s ARG 171 Ca -0.15 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 55.92 2jki s ARG 171 Cb 0.04 0.35 0.00 0.00 -1.56 0.00 0.00 34.95 33.78 2jki s ARG 171 CO 0.69 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 175.42 2jki n GLY 172 N 1.57 0.20 3.21 8.12 0.00 -0.12 -4.25 105.19 113.91 2jki n GLY 172 Ca -0.14 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 2jki n GLY 172 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jki s THR 173 N 0.00 0.00 -0.32 2.61 2.01 -1.05 -0.37 115.64 118.53 2jki s THR 173 Ca 0.00 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 61.97 2jki s THR 173 Cb 0.00 -0.46 0.10 0.00 0.01 0.00 0.00 72.50 72.14 2jki s THR 173 CO 0.00 -0.02 0.07 -0.75 -0.69 0.00 0.00 174.62 173.23 2jki s LYS 174 N 0.05 1.07 -0.16 4.92 2.20 0.64 -1.25 119.74 127.20 2jki s LYS 174 Ca -0.01 -1.37 -0.19 0.00 -0.36 0.00 0.00 55.97 54.03 2jki s LYS 174 Cb -0.03 -2.50 -0.03 0.00 -1.51 0.00 0.00 37.83 33.76 2jki s LYS 174 CO 0.01 -0.94 0.55 -1.64 -0.36 0.00 0.00 175.35 172.97 2jki s MET 175 N 1.33 4.27 -0.19 4.03 -1.94 0.11 -1.79 119.30 125.12 2jki s MET 175 Ca 0.09 0.51 -0.02 0.00 -1.71 0.00 0.00 55.69 54.56 2jki s MET 175 Cb -0.18 -3.51 -0.00 0.00 2.01 0.00 0.00 34.83 33.14 2jki s MET 175 CO -0.17 -0.05 -0.09 0.08 -0.01 0.00 0.00 175.02 174.77 2jki s VAL 176 N 1.29 3.04 -0.40 -6.03 1.01 -0.86 -0.50 120.40 117.96 2jki s VAL 176 Ca 0.27 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 2jki s VAL 176 Cb -0.16 -2.34 0.04 0.00 0.00 0.00 0.00 36.38 33.92 2jki s VAL 176 CO 0.11 0.47 0.26 -0.76 0.00 0.00 0.00 175.10 175.18 2jki s LEU 177 N 1.15 4.97 -0.65 3.92 1.02 0.10 -1.28 118.68 127.91 2jki s LEU 177 Ca 0.01 -1.06 -0.28 0.00 0.02 0.00 0.00 54.13 52.83 2jki s LEU 177 Cb -0.14 -2.07 0.03 0.00 0.02 0.00 0.00 46.19 44.02 2jki s LEU 177 CO -0.03 -0.45 1.29 -0.31 0.02 0.00 0.00 176.35 176.87 2jki s TYR 178 N 1.58 2.37 0.29 0.29 1.51 -0.14 -2.07 117.35 121.19 2jki s TYR 178 Ca 0.03 0.22 -0.29 0.00 -1.01 0.00 0.00 57.07 56.03 2jki s TYR 178 Cb -0.20 -4.54 -0.10 0.00 -0.11 0.00 0.00 41.96 37.02 2jki s TYR 178 CO 0.07 -1.90 1.11 -0.51 -1.11 0.00 0.00 175.55 173.22 2jki s LEU 179 N 5.63 4.51 0.90 -1.29 1.43 -0.83 -1.03 118.68 128.00 2jki s LEU 179 Ca 0.42 2.29 -0.11 0.00 -1.03 0.00 0.00 54.13 55.69 2jki s LEU 179 Cb -0.08 -3.68 0.13 0.00 0.03 0.00 0.00 46.19 42.59 2jki s LEU 179 CO 0.20 -0.21 1.09 -0.54 0.23 0.00 0.00 176.35 177.13 2jki s LYS 180 N -1.56 1.18 0.06 1.70 1.02 -0.18 -4.74 119.74 117.22 2jki s LYS 180 Ca 0.46 1.02 -0.26 0.00 0.02 0.00 0.00 55.97 57.20 2jki s LYS 180 Cb -0.32 -1.78 -0.13 0.00 -0.52 0.00 0.00 37.83 35.08 2jki s LYS 180 CO 0.41 -2.35 1.40 -0.44 -0.92 0.00 0.00 175.35 173.46 2jki h ASP 181 N -1.64 -0.99 -0.46 2.83 5.19 -1.95 -2.51 116.42 116.89 2jki h ASP 181 Ca -0.48 0.07 0.13 0.00 -0.62 0.00 0.00 57.03 56.13 2jki h ASP 181 Cb 1.28 0.32 -0.02 0.00 0.18 0.00 0.00 39.33 41.09 2jki h ASP 181 CO 0.51 -0.50 0.38 -2.24 -3.12 0.00 0.00 179.24 174.28 2jki h ASP 182 N -0.77 0.00 -0.24 6.45 2.03 -1.97 -2.92 116.42 119.01 2jki h ASP 182 Ca -0.05 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.15 2jki h ASP 182 Cb 0.65 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.09 2jki h ASP 182 CO -0.02 0.00 0.13 0.00 -1.03 0.00 0.00 179.24 178.32 2jki n GLN 183 N -4.09 1.57 0.00 4.15 1.13 -0.94 -4.42 117.38 114.77 2jki n GLN 183 Ca 0.08 -0.85 0.08 0.00 -1.94 0.00 0.00 57.00 54.38 2jki n GLN 183 Cb 0.58 -1.44 0.43 0.00 0.11 0.00 0.00 30.24 29.92 2jki n GLN 183 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 2jki n MET 184 N 0.08 0.27 0.16 -1.09 1.56 -1.10 -3.39 117.12 113.61 2jki n MET 184 Ca 0.14 0.12 0.13 0.00 -0.27 0.00 0.00 57.70 57.81 2jki n MET 184 Cb 0.73 -1.50 0.38 0.00 2.15 0.00 0.00 33.22 34.99 2jki n MET 184 CO 0.00 0.00 0.00 1.05 -0.73 0.00 0.00 175.97 176.29 2jki h GLU 185 N 0.00 0.00 -0.79 2.12 4.11 -1.90 -3.07 114.58 115.05 2jki h GLU 185 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jki h GLU 185 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2jki h GLU 185 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.74 2jki n TYR 186 N -2.57 0.76 0.05 2.06 4.01 -1.22 -2.98 117.16 117.28 2jki n TYR 186 Ca 0.04 -0.27 0.09 0.00 -0.16 0.00 0.00 57.90 57.61 2jki n TYR 186 Cb 0.41 -0.24 -0.14 0.00 -0.31 0.00 0.00 39.34 39.06 2jki n TYR 186 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2jki n LEU 187 N 0.25 0.06 -4.74 7.72 4.77 -1.16 -4.85 117.00 119.04 2jki n LEU 187 Ca 0.11 -0.03 -0.41 0.00 -0.03 0.00 0.00 56.01 55.64 2jki n LEU 187 Cb 0.58 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 2jki n LEU 187 CO 0.12 0.01 0.75 -1.61 -1.33 0.00 0.00 177.39 175.34 2jki s GLU 188 N -3.28 4.66 0.23 3.23 0.41 -1.16 -4.86 118.70 117.94 2jki s GLU 188 Ca -0.06 1.67 -0.07 0.00 -0.41 0.00 0.00 54.97 56.10 2jki s GLU 188 Cb 0.12 -3.27 0.21 0.00 -1.78 0.00 0.00 34.13 29.42 2jki s GLU 188 CO 0.79 0.20 1.87 1.49 -0.49 0.00 0.00 175.26 179.12 2jki h GLU 189 N 4.68 1.24 -0.38 1.61 4.81 -1.94 -2.15 114.58 122.44 2jki h GLU 189 Ca -0.45 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 58.64 2jki h GLU 189 Cb 1.21 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 2jki h GLU 189 CO 0.70 0.88 0.19 -0.09 -0.73 0.00 0.00 179.01 179.96 2jki h ARG 190 N 1.25 0.55 -0.33 1.92 2.43 -1.96 -1.68 114.38 116.56 2jki h ARG 190 Ca 0.32 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 2jki h ARG 190 Cb -0.02 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 2jki h ARG 190 CO -0.06 0.48 0.18 -0.09 -1.51 0.00 0.00 179.97 178.97 2jki h ARG 191 N 0.48 0.47 -0.57 0.20 9.65 -1.79 -1.60 114.38 121.23 2jki h ARG 191 Ca 0.13 -0.06 -0.06 0.00 -1.10 0.00 0.00 59.98 58.89 2jki h ARG 191 Cb 0.11 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 2jki h ARG 191 CO -0.02 0.40 0.11 0.82 2.80 0.00 0.00 179.97 184.08 2jki h ILE 192 N 0.41 1.25 -0.87 1.20 2.04 -1.20 -1.11 117.51 119.23 2jki h ILE 192 Ca 0.12 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 2jki h ILE 192 Cb 0.07 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 2jki h ILE 192 CO -0.02 0.35 0.48 0.50 0.00 0.00 0.00 178.15 179.46 2jki h LYS 193 N 0.83 1.21 0.46 2.37 3.64 -1.00 -0.68 116.57 123.38 2jki h LYS 193 Ca 0.17 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2jki h LYS 193 Cb 0.39 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 2jki h LYS 193 CO 0.01 0.88 -0.48 -0.44 -2.27 0.00 0.00 179.45 177.15 2jki h ASP 194 N 1.21 -1.34 -0.46 4.20 5.19 -0.87 -2.49 116.42 121.86 2jki h ASP 194 Ca 0.31 0.11 0.06 0.00 -0.62 0.00 0.00 57.03 56.88 2jki h ASP 194 Cb 0.02 0.44 -0.05 0.00 0.18 0.00 0.00 39.33 39.93 2jki h ASP 194 CO -0.05 -0.63 0.18 -0.07 -3.12 0.00 0.00 179.24 175.55 2jki h LEU 195 N -0.94 0.20 0.22 1.55 3.38 -0.59 0.77 115.31 119.90 2jki h LEU 195 Ca -0.06 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jki h LEU 195 Cb 0.83 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 2jki h LEU 195 CO -0.07 0.15 -0.38 0.58 0.09 0.00 0.00 178.44 178.80 2jki h VAL 196 N 0.36 0.00 -0.95 1.22 2.07 -1.16 -1.53 116.25 116.26 2jki h VAL 196 Ca 0.22 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.99 2jki h VAL 196 Cb 0.20 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.84 2jki h VAL 196 CO -0.21 0.00 0.48 0.50 0.02 0.00 0.00 177.57 178.36 2jki h LYS 197 N -0.64 0.40 0.00 1.57 1.63 -0.95 -1.11 116.57 117.47 2jki h LYS 197 Ca -0.02 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.69 2jki h LYS 197 Cb 0.60 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 2jki h LYS 197 CO -0.14 0.26 -0.29 -0.09 -3.45 0.00 0.00 179.45 175.75 2jki h ARG 198 N 0.41 0.00 0.00 1.90 2.43 0.17 -3.31 114.38 115.98 2jki h ARG 198 Ca 0.63 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.80 2jki h ARG 198 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2jki h ARG 198 CO -0.55 0.29 -0.73 0.72 -1.51 0.00 0.00 179.97 178.19 2jki n HIS 199 N -3.51 0.00 -3.10 2.20 8.25 -0.99 -4.86 115.22 113.20 2jki n HIS 199 Ca -0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 2jki n HIS 199 Cb 0.44 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.53 2jki n HIS 199 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2jki n SER 200 N -1.17 5.46 -0.53 0.41 7.64 -0.45 -4.66 113.62 120.32 2jki n SER 200 Ca 0.00 -3.48 0.06 0.00 1.01 0.00 0.00 58.87 56.46 2jki n SER 200 Cb 0.00 -0.99 0.19 0.00 -1.01 0.00 0.00 64.21 62.40 2jki n SER 200 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2jki n GLU 201 N 0.86 1.63 0.00 1.43 4.07 -1.26 -4.40 120.64 122.97 2jki n GLU 201 Ca 0.30 -3.01 0.00 0.00 -0.06 0.00 0.00 57.16 54.39 2jki n GLU 201 Cb 0.36 -1.63 0.00 0.00 -0.06 0.00 0.00 31.44 30.11 2jki n GLU 201 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2jki n PHE 202 N -1.18 0.00 -3.58 4.31 3.72 -1.26 -5.10 117.46 114.37 2jki n PHE 202 Ca 0.20 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.24 2jki n PHE 202 Cb 0.74 0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 39.21 2jki n PHE 202 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 2jki s ILE 203 N 0.00 5.32 -0.62 4.37 2.07 -1.26 -5.01 121.20 126.07 2jki s ILE 203 Ca 0.00 0.38 0.01 0.00 -1.41 0.00 0.00 60.65 59.63 2jki s ILE 203 Cb 0.00 -3.58 0.42 0.00 0.13 0.00 0.00 42.46 39.44 2jki s ILE 203 CO 0.00 0.34 1.77 -1.54 -1.91 0.00 0.00 174.94 173.60 2jki n SER 204 N 4.08 6.79 -4.07 4.50 3.41 -1.26 -4.92 113.62 122.16 2jki n SER 204 Ca -0.13 -3.79 -0.09 0.00 -0.26 0.00 0.00 58.87 54.60 2jki n SER 204 Cb 0.52 -0.82 -0.11 0.00 -0.26 0.00 0.00 64.21 63.54 2jki n SER 204 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2jki s TYR 205 N -3.82 0.54 -0.29 7.33 2.02 -1.26 -5.11 117.35 116.77 2jki s TYR 205 Ca 0.57 -0.78 -0.33 0.00 -0.37 0.00 0.00 57.07 56.16 2jki s TYR 205 Cb 0.46 -0.36 -0.09 0.00 -0.40 0.00 0.00 41.96 41.57 2jki s TYR 205 CO -0.13 -0.23 2.18 -0.35 -1.57 0.00 0.00 175.55 175.46 2jki n PRO 206 N 0.75 1.44 -3.61 -1.71 -0.04 -1.26 -4.88 135.00 125.69 2jki n PRO 206 Ca -0.18 0.40 -0.37 0.00 -0.04 0.00 0.00 63.50 63.31 2jki n PRO 206 Cb 0.58 -2.73 -0.10 0.00 -0.04 0.00 0.00 33.50 31.21 2jki n PRO 206 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2jki s ILE 207 N 7.42 5.33 0.15 0.52 1.01 -1.26 -1.93 121.20 132.44 2jki s ILE 207 Ca 1.06 0.22 0.10 0.00 0.00 0.00 0.00 60.65 62.03 2jki s ILE 207 Cb -0.68 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 2jki s ILE 207 CO 0.45 0.30 -0.20 -0.44 0.00 0.00 0.00 174.94 175.04 2jki s SER 208 N 1.33 3.70 -0.36 3.58 0.01 -0.29 -1.85 113.70 119.82 2jki s SER 208 Ca 0.08 -0.69 0.03 0.00 1.31 0.00 0.00 55.95 56.69 2jki s SER 208 Cb -0.15 -0.42 0.10 0.00 0.21 0.00 0.00 66.02 65.77 2jki s SER 208 CO 0.07 0.15 0.09 -0.22 0.41 0.00 0.00 173.24 173.74 2jki s LEU 209 N -2.37 4.81 -0.08 2.44 1.98 0.13 -0.50 118.68 125.07 2jki s LEU 209 Ca 0.19 -2.21 0.01 0.00 -2.89 0.00 0.00 54.13 49.23 2jki s LEU 209 Cb -0.09 -1.66 0.14 0.00 0.66 0.00 0.00 46.19 45.23 2jki s LEU 209 CO 0.10 -0.39 1.12 0.79 -1.89 0.00 0.00 176.35 176.07 2jki n TRP 210 N 4.21 0.58 -0.95 5.38 7.02 -0.14 -3.48 117.44 130.06 2jki n TRP 210 Ca 0.03 -0.67 -0.21 0.00 -1.02 0.00 0.00 57.50 55.63 2jki n TRP 210 Cb 0.41 -0.36 -0.08 0.00 -2.42 0.00 0.00 31.31 28.86 2jki n TRP 210 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 2jki n THR 211 N 0.17 3.01 -0.81 -0.99 -1.04 -1.26 -4.62 114.28 108.74 2jki n THR 211 Ca 0.11 -1.67 0.00 0.00 -2.04 0.00 0.00 64.05 60.45 2jki n THR 211 Cb 0.69 -2.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.04 2jki n THR 211 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jki n GLU 212 N 3.19 0.00 -1.55 -2.82 4.71 -1.26 -4.96 120.64 117.95 2jki n GLU 212 Ca 0.50 0.44 -0.25 0.00 -0.01 0.00 0.00 57.16 57.84 2jki n GLU 212 Cb 0.48 -0.37 -0.05 0.00 -1.01 0.00 0.00 31.44 30.49 2jki n GLU 212 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2jki n LYS 213 N 0.36 0.81 -4.11 3.49 -0.00 -1.26 -4.91 118.16 112.54 2jki n LYS 213 Ca 0.00 -0.40 -0.11 0.00 -0.00 0.00 0.00 58.31 57.80 2jki n LYS 213 Cb 0.00 -3.56 -0.08 0.00 -0.00 0.00 0.00 35.03 31.40 2jki n LYS 213 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2jki s THR 214 N 13.46 0.00 0.23 0.58 -1.32 -1.23 -5.01 115.64 122.35 2jki s THR 214 Ca 0.96 -1.71 0.08 0.00 -1.21 0.00 0.00 61.69 59.80 2jki s THR 214 Cb -0.16 -2.37 -0.04 0.00 -1.51 0.00 0.00 72.50 68.42 2jki s THR 214 CO 0.18 0.00 0.08 0.42 -2.21 0.00 0.00 174.62 173.09 2jki s THR 215 N -4.02 3.96 0.00 5.08 -4.23 -1.26 0.17 115.64 115.33 2jki s THR 215 Ca 0.31 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 2jki s THR 215 Cb 0.03 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.78 2jki s THR 215 CO 0.11 -0.28 0.00 -1.84 -0.54 0.00 0.00 174.62 172.08 2jki n GLU 216 N -0.75 0.00 0.00 3.99 0.00 -0.77 -4.94 120.64 118.17 2jki n GLU 216 Ca -0.08 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.18 2jki n GLU 216 Cb 0.57 0.00 0.08 0.00 0.00 0.00 0.00 31.44 32.09 2jki n GLU 216 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30