#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jk8 n ILE 13 N 0.00 0.00 -2.69 -3.67 5.41 -1.26 -4.74 119.36 112.41 2jk8 n ILE 13 Ca 0.00 0.37 -0.43 0.00 1.00 0.00 0.00 62.75 63.69 2jk8 n ILE 13 Cb 0.00 -1.13 -0.03 0.00 -0.71 0.00 0.00 39.64 37.78 2jk8 n ILE 13 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2jk8 s ILE 14 N -0.73 4.38 -0.05 1.39 1.01 -1.26 -4.32 121.20 121.62 2jk8 s ILE 14 Ca 0.00 1.22 -0.04 0.00 0.00 0.00 0.00 60.65 61.82 2jk8 s ILE 14 Cb 0.00 -4.49 0.01 0.00 0.01 0.00 0.00 42.46 37.99 2jk8 s ILE 14 CO 0.00 -0.80 0.13 -0.55 0.00 0.00 0.00 174.94 173.72 2jk8 s SER 15 N 2.17 -0.13 0.56 3.58 0.15 -1.16 -4.87 113.70 114.00 2jk8 s SER 15 Ca 0.44 0.26 0.24 0.00 0.70 0.00 0.00 55.95 57.58 2jk8 s SER 15 Cb -0.09 0.26 1.51 0.00 -1.71 0.00 0.00 66.02 65.99 2jk8 s SER 15 CO 0.25 -0.05 2.13 -0.65 1.20 0.00 0.00 173.24 176.12 2jk8 h PRO 16 N 5.97 0.00 0.00 5.44 0.11 -1.84 -2.40 132.00 139.28 2jk8 h PRO 16 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2jk8 h PRO 16 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2jk8 h PRO 16 CO 0.43 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.83 2jk8 n HIS 17 N -4.16 0.02 1.48 0.65 1.44 -1.26 -2.65 115.22 110.74 2jk8 n HIS 17 Ca 0.01 0.01 0.15 0.00 -2.01 0.00 0.00 57.72 55.87 2jk8 n HIS 17 Cb 0.26 -0.51 0.72 0.00 0.12 0.00 0.00 29.99 30.57 2jk8 n HIS 17 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2jk8 n HIS 18 N -1.52 0.00 0.23 -1.40 8.25 -0.90 -3.30 115.22 116.58 2jk8 n HIS 18 Ca 0.03 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.61 2jk8 n HIS 18 Cb 0.14 -0.21 0.40 0.00 1.12 0.00 0.00 29.99 31.44 2jk8 n HIS 18 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2jk8 h TYR 19 N 0.24 0.00 -3.87 4.41 0.05 -1.73 -3.45 116.97 112.62 2jk8 h TYR 19 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.11 2jk8 h TYR 19 Cb 0.29 0.00 -0.22 0.00 1.01 0.00 0.00 36.73 37.81 2jk8 h TYR 19 CO 0.00 0.12 -0.86 0.54 -1.05 0.00 0.00 178.16 176.91 2jk8 s VAL 20 N -3.46 2.20 0.35 -2.88 0.11 -1.21 -0.22 120.40 115.30 2jk8 s VAL 20 Ca 0.03 -1.75 -0.28 0.00 -2.93 0.00 0.00 61.98 57.04 2jk8 s VAL 20 Cb 0.08 -1.96 -0.11 0.00 -1.53 0.00 0.00 36.38 32.87 2jk8 s VAL 20 CO 0.63 0.06 1.38 -0.31 -3.33 0.00 0.00 175.10 173.53 2jk8 s TYR 21 N -1.11 2.84 0.19 1.54 2.02 -1.09 -4.82 117.35 116.93 2jk8 s TYR 21 Ca 0.14 1.31 -0.33 0.00 -0.37 0.00 0.00 57.07 57.82 2jk8 s TYR 21 Cb -0.10 -3.83 -0.14 0.00 -0.40 0.00 0.00 41.96 37.50 2jk8 s TYR 21 CO 0.06 -2.35 1.44 -2.30 -1.57 0.00 0.00 175.55 170.83 2jk8 n PRO 22 N 0.63 1.91 -1.20 -1.71 -0.02 -1.26 -1.71 135.00 131.64 2jk8 n PRO 22 Ca 0.01 0.68 -0.07 0.00 -2.02 0.00 0.00 63.50 62.10 2jk8 n PRO 22 Cb 0.41 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 2jk8 n PRO 22 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2jk8 n ASN 23 N 2.61 -5.05 -4.39 2.55 3.02 -1.26 -5.01 115.26 107.72 2jk8 n ASN 23 Ca 0.14 0.17 -0.25 0.00 -0.03 0.00 0.00 54.58 54.62 2jk8 n ASN 23 Cb 0.29 -3.16 -0.09 0.00 -0.61 0.00 0.00 39.78 36.21 2jk8 n ASN 23 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2jk8 s THR 24 N -1.85 1.05 -0.17 3.41 -4.23 -0.69 -5.04 115.64 108.12 2jk8 s THR 24 Ca 0.00 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.68 2jk8 s THR 24 Cb 0.00 -2.58 0.49 0.00 1.34 0.00 0.00 72.50 71.75 2jk8 s THR 24 CO 0.00 0.00 1.38 0.35 -0.54 0.00 0.00 174.62 175.81 2jk8 n THR 25 N -0.86 2.23 -3.63 3.99 -2.24 -1.26 -4.64 114.28 107.86 2jk8 n THR 25 Ca -0.06 -1.96 -0.38 0.00 -2.27 0.00 0.00 64.05 59.38 2jk8 n THR 25 Cb 0.66 -0.26 -0.11 0.00 -2.10 0.00 0.00 70.33 68.52 2jk8 n THR 25 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2jk8 s THR 26 N -2.85 5.00 0.47 4.28 -4.23 -1.26 -5.00 115.64 112.06 2jk8 s THR 26 Ca 0.41 0.02 -0.24 0.00 -1.18 0.00 0.00 61.69 60.70 2jk8 s THR 26 Cb 0.33 -3.40 -0.08 0.00 1.34 0.00 0.00 72.50 70.70 2jk8 s THR 26 CO 0.08 0.24 1.26 0.18 -0.54 0.00 0.00 174.62 175.84 2jk8 n LEU 27 N 5.02 4.39 -4.74 4.79 4.77 -1.26 -2.66 117.00 127.31 2jk8 n LEU 27 Ca -0.14 1.04 -0.42 0.00 -0.03 0.00 0.00 56.01 56.46 2jk8 n LEU 27 Cb 0.52 -1.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.07 2jk8 n LEU 27 CO 0.33 -0.76 1.31 0.29 -1.33 0.00 0.00 177.39 177.23 2jk8 n LYS 28 N -0.35 2.76 -4.10 3.23 5.02 0.69 -4.80 118.16 120.61 2jk8 n LYS 28 Ca 0.08 0.99 -0.08 0.00 -2.02 0.00 0.00 58.31 57.29 2jk8 n LYS 28 Cb 0.42 -2.81 -0.10 0.00 -0.02 0.00 0.00 35.03 32.52 2jk8 n LYS 28 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jk8 s ASN 29 N 0.80 0.56 0.41 4.39 2.20 -1.26 -4.76 114.94 117.28 2jk8 s ASN 29 Ca 0.69 -1.01 0.29 0.00 -0.94 0.00 0.00 52.86 51.89 2jk8 s ASN 29 Cb -0.49 0.19 1.31 0.00 -2.00 0.00 0.00 41.25 40.26 2jk8 s ASN 29 CO 0.41 -0.59 1.87 0.11 -2.94 0.00 0.00 177.10 175.96 2jk8 h LYS 30 N 3.11 0.00 0.00 3.55 1.57 -0.25 -2.07 116.57 122.49 2jk8 h LYS 30 Ca -0.34 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 2jk8 h LYS 30 Cb 1.15 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 2jk8 h LYS 30 CO 0.66 0.00 -0.12 1.88 -0.57 0.00 0.00 179.45 181.30 2jk8 h TYR 31 N 0.00 0.00 -0.61 -1.35 0.05 -1.82 -3.48 116.97 109.76 2jk8 h TYR 31 Ca 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.64 2jk8 h TYR 31 Cb 0.31 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.01 2jk8 h TYR 31 CO 0.00 0.10 -0.15 0.41 -1.05 0.00 0.00 178.16 177.47 2jk8 n GLY 32 N 1.13 0.59 3.62 3.88 0.00 -0.78 -5.02 105.19 108.61 2jk8 n GLY 32 Ca 0.04 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 2jk8 n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jk8 s ILE 33 N -2.30 4.92 -0.11 -0.61 1.01 -1.26 -4.95 121.20 117.90 2jk8 s ILE 33 Ca 0.00 1.20 0.16 0.00 0.00 0.00 0.00 60.65 62.01 2jk8 s ILE 33 Cb 0.00 -4.01 -0.14 0.00 0.01 0.00 0.00 42.46 38.32 2jk8 s ILE 33 CO 0.00 -0.05 0.86 0.11 0.00 0.00 0.00 174.94 175.86 2jk8 h LYS 34 N 7.91 0.00 -6.61 2.79 1.57 -1.95 -3.45 116.57 116.84 2jk8 h LYS 34 Ca -0.26 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.00 2jk8 h LYS 34 Cb 1.11 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.44 2jk8 h LYS 34 CO 0.81 0.35 0.63 1.21 -0.57 0.00 0.00 179.45 181.89 2jk8 s ASN 35 N -5.90 6.96 0.02 0.86 3.84 -1.26 -4.67 114.94 114.78 2jk8 s ASN 35 Ca -0.02 2.27 -0.26 0.00 0.21 0.00 0.00 52.86 55.06 2jk8 s ASN 35 Cb 0.09 -2.60 -0.17 0.00 -0.55 0.00 0.00 41.25 38.02 2jk8 s ASN 35 CO 0.81 -0.51 1.29 0.25 -2.79 0.00 0.00 177.10 176.15 2jk8 h LEU 36 N 5.95 -0.36 -0.51 3.21 5.85 -1.97 -1.13 115.31 126.36 2jk8 h LEU 36 Ca -0.43 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.19 2jk8 h LEU 36 Cb 1.21 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.28 2jk8 h LEU 36 CO 0.80 -0.02 0.21 0.78 -0.34 0.00 0.00 178.44 179.86 2jk8 h ASN 37 N -0.73 0.25 -0.06 1.25 2.35 -1.99 0.13 115.58 116.79 2jk8 h ASN 37 Ca -0.04 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jk8 h ASN 37 Cb 0.49 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 2jk8 h ASN 37 CO 0.07 0.17 0.02 0.00 -1.65 0.00 0.00 177.43 176.04 2jk8 h ALA 38 N 1.32 0.08 -0.52 -0.83 0.00 -1.97 -2.14 119.26 115.21 2jk8 h ALA 38 Ca 0.24 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2jk8 h ALA 38 Cb 0.23 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2jk8 h ALA 38 CO -0.22 -0.32 0.25 0.35 0.00 0.00 0.00 179.25 179.31 2jk8 h PHE 39 N -0.09 0.46 0.00 0.00 3.57 -0.87 -2.31 116.94 117.69 2jk8 h PHE 39 Ca 0.02 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 2jk8 h PHE 39 Cb 0.20 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2jk8 h PHE 39 CO -0.01 0.21 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.99 2jk8 h LEU 40 N 0.48 0.00 0.04 0.59 3.38 -0.52 0.46 115.31 119.74 2jk8 h LEU 40 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2jk8 h LEU 40 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2jk8 h LEU 40 CO -0.18 0.22 -0.02 -0.33 0.09 0.00 0.00 178.44 178.22 2jk8 h GLU 41 N 0.00 -0.05 -0.62 1.13 5.08 -1.02 -1.97 114.58 117.13 2jk8 h GLU 41 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2jk8 h GLU 41 Cb 0.51 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2jk8 h GLU 41 CO 0.03 0.47 0.36 -0.22 -1.00 0.00 0.00 179.01 178.65 2jk8 h LYS 42 N -0.61 0.86 -0.68 2.33 3.64 -1.02 -1.32 116.57 119.77 2jk8 h LYS 42 Ca -0.01 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2jk8 h LYS 42 Cb 0.55 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 2jk8 h LYS 42 CO 0.01 0.63 0.41 0.00 -2.27 0.00 0.00 179.45 178.24 2jk8 h SER 44 N 0.93 0.91 0.24 0.00 0.87 -0.94 -1.18 113.55 114.38 2jk8 h SER 44 Ca 0.25 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2jk8 h SER 44 Cb -0.03 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.69 2jk8 h SER 44 CO -0.05 0.96 -0.12 -0.74 -0.53 0.00 0.00 176.83 176.36 2jk8 h HIS 45 N 0.83 -0.30 -0.70 2.24 6.17 -0.88 -2.58 115.15 119.93 2jk8 h HIS 45 Ca 0.16 -0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.18 2jk8 h HIS 45 Cb 0.46 0.10 -0.03 0.00 2.52 0.00 0.00 27.41 30.46 2jk8 h HIS 45 CO 0.03 -0.17 0.23 -0.44 0.71 0.00 0.00 177.93 178.29 2jk8 h ASP 46 N -0.35 1.01 0.27 3.26 3.45 -1.16 -2.90 116.42 120.01 2jk8 h ASP 46 Ca -0.03 -0.20 -0.11 0.00 0.43 0.00 0.00 57.03 57.11 2jk8 h ASP 46 Cb 0.27 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 2jk8 h ASP 46 CO 0.05 0.95 -0.44 0.71 -1.57 0.00 0.00 179.24 178.94 2jk8 h THR 47 N 1.02 1.32 -0.01 0.35 1.35 -1.23 -1.76 112.91 113.94 2jk8 h THR 47 Ca 0.23 -1.59 -0.14 0.00 -0.55 0.00 0.00 66.41 64.35 2jk8 h THR 47 Cb 0.29 1.75 -0.02 0.00 -1.73 0.00 0.00 68.15 68.44 2jk8 h THR 47 CO -0.01 0.47 -0.65 0.00 -0.25 0.00 0.00 175.52 175.08 2jk8 h ALA 48 N 1.37 0.89 -0.04 6.62 0.00 -1.44 -0.85 119.26 125.81 2jk8 h ALA 48 Ca 0.01 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2jk8 h ALA 48 Cb 0.86 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2jk8 h ALA 48 CO 0.07 0.80 -0.00 0.87 0.00 0.00 0.00 179.25 180.99 2jk8 h LYS 49 N 0.04 0.07 -0.49 0.00 1.57 -1.35 -3.14 116.57 113.28 2jk8 h LYS 49 Ca -0.01 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2jk8 h LYS 49 Cb 1.16 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 2jk8 h LYS 49 CO 0.09 0.38 0.25 0.00 -0.57 0.00 0.00 179.45 179.60 2jk8 h ALA 50 N 0.69 0.62 -0.53 3.86 0.00 -1.17 -2.64 119.26 120.09 2jk8 h ALA 50 Ca 0.01 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2jk8 h ALA 50 Cb 0.35 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 2jk8 h ALA 50 CO 0.00 -0.09 -0.36 0.52 0.00 0.00 0.00 179.25 179.32 2jk8 h MET 51 N 0.50 -0.21 -0.78 0.00 2.86 -1.20 0.12 114.93 116.23 2jk8 h MET 51 Ca 0.21 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 58.00 2jk8 h MET 51 Cb 0.10 0.05 -0.14 0.00 0.06 0.00 0.00 31.60 31.67 2jk8 h MET 51 CO -0.14 -0.14 -0.34 0.82 1.06 0.00 0.00 176.91 178.17 2jk8 h ILE 52 N -0.22 0.10 -0.33 -1.22 5.03 -1.42 0.11 117.51 119.58 2jk8 h ILE 52 Ca 0.20 0.00 -0.08 0.00 -0.12 0.00 0.00 64.86 64.86 2jk8 h ILE 52 Cb 0.56 0.10 -0.01 0.00 -3.03 0.00 0.00 36.82 34.44 2jk8 h ILE 52 CO -0.64 0.00 -0.10 0.78 -0.68 0.00 0.00 178.15 177.51 2jk8 h ASN 53 N -0.08 0.66 -0.94 1.72 2.35 -1.29 -3.08 115.58 114.91 2jk8 h ASN 53 Ca 0.29 -0.38 0.03 0.00 -0.55 0.00 0.00 56.30 55.69 2jk8 h ASN 53 Cb 0.58 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.71 2jk8 h ASN 53 CO -0.82 0.89 0.61 -0.07 -1.65 0.00 0.00 177.43 176.39 2jk8 h LEU 54 N 0.42 1.03 -2.11 1.61 3.38 -0.14 -0.16 115.31 119.34 2jk8 h LEU 54 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2jk8 h LEU 54 Cb 0.61 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2jk8 h LEU 54 CO 0.04 0.72 0.00 0.03 0.09 0.00 0.00 178.44 179.32 2jk8 h ARG 55 N 1.21 0.00 0.00 1.13 3.08 -0.72 -2.69 114.38 116.39 2jk8 h ARG 55 Ca 0.37 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.37 2jk8 h ARG 55 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2jk8 h ARG 55 CO -0.11 0.00 -1.17 0.39 -1.07 0.00 0.00 179.97 178.01 2jk8 n GLU 56 N -2.72 0.61 -1.41 0.04 -0.58 -0.09 -4.96 120.64 111.53 2jk8 n GLU 56 Ca -0.02 0.13 -0.31 0.00 -0.42 0.00 0.00 57.16 56.54 2jk8 n GLU 56 Cb 0.09 -1.80 0.07 0.00 -0.57 0.00 0.00 31.44 29.23 2jk8 n GLU 56 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2jk8 s GLU 57 N -3.26 2.52 0.24 3.49 -1.05 -1.02 -4.98 118.70 114.65 2jk8 s GLU 57 Ca -0.02 1.13 -0.30 0.00 -0.15 0.00 0.00 54.97 55.63 2jk8 s GLU 57 Cb 0.10 -1.93 -0.09 0.00 -0.44 0.00 0.00 34.13 31.77 2jk8 s GLU 57 CO 0.80 -1.43 1.09 -1.12 0.95 0.00 0.00 175.26 175.55 2jk8 s SER 58 N -3.42 7.28 0.35 0.83 0.01 -1.26 -5.01 113.70 112.48 2jk8 s SER 58 Ca 0.61 2.19 -0.28 0.00 1.31 0.00 0.00 55.95 59.77 2jk8 s SER 58 Cb -0.16 -2.62 -0.11 0.00 0.21 0.00 0.00 66.02 63.34 2jk8 s SER 58 CO 0.54 -0.16 1.38 -0.76 0.41 0.00 0.00 173.24 174.65 2jk8 s LEU 59 N -1.03 4.39 0.87 2.44 1.43 -1.26 -4.99 118.68 120.53 2jk8 s LEU 59 Ca 0.46 2.82 -0.13 0.00 -1.03 0.00 0.00 54.13 56.26 2jk8 s LEU 59 Cb -0.31 -3.66 0.12 0.00 0.03 0.00 0.00 46.19 42.37 2jk8 s LEU 59 CO 0.38 -0.66 1.17 -2.16 0.23 0.00 0.00 176.35 175.31 2jk8 s PRO 60 N -1.87 1.45 -0.06 1.29 0.04 -1.26 -5.00 135.00 129.59 2jk8 s PRO 60 Ca 0.51 0.13 -0.15 0.00 0.04 0.00 0.00 61.00 61.52 2jk8 s PRO 60 Cb -0.42 -1.89 -0.30 0.00 0.04 0.00 0.00 34.50 31.92 2jk8 s PRO 60 CO 0.57 -1.95 0.71 1.49 0.04 0.00 0.00 177.00 177.86 2jk8 h GLU 61 N -1.32 0.35 -5.56 4.56 4.81 -2.05 -3.46 114.58 111.92 2jk8 h GLU 61 Ca -0.48 -0.60 -0.65 0.00 -0.13 0.00 0.00 59.36 57.51 2jk8 h GLU 61 Cb 1.32 0.22 -0.12 0.00 0.63 0.00 0.00 28.75 30.81 2jk8 h GLU 61 CO 0.61 1.29 -0.53 0.71 -0.73 0.00 0.00 179.01 180.36 2jk8 s TYR 62 N -2.52 3.38 -0.55 0.92 2.02 -1.26 -5.04 117.35 114.30 2jk8 s TYR 62 Ca -0.16 0.30 -0.09 0.00 -0.37 0.00 0.00 57.07 56.76 2jk8 s TYR 62 Cb 0.04 -1.98 0.14 0.00 -0.40 0.00 0.00 41.96 39.77 2jk8 s TYR 62 CO 0.83 0.46 0.43 -0.06 -1.57 0.00 0.00 175.55 175.64 2jk8 s PHE 63 N -0.42 3.47 0.38 2.71 0.08 -1.26 -4.85 117.98 118.09 2jk8 s PHE 63 Ca 0.10 -2.06 0.05 0.00 0.12 0.00 0.00 56.93 55.14 2jk8 s PHE 63 Cb -0.12 -3.49 -0.03 0.00 -0.57 0.00 0.00 43.02 38.81 2jk8 s PHE 63 CO 0.02 -0.97 0.17 0.16 -0.10 0.00 0.00 175.22 174.50 2jk8 s ASP 64 N 2.22 2.45 0.47 1.36 1.47 -1.26 -4.83 116.67 118.55 2jk8 s ASP 64 Ca 0.10 -1.69 0.19 0.00 1.18 0.00 0.00 52.55 52.32 2jk8 s ASP 64 Cb -0.23 0.52 1.16 0.00 -0.34 0.00 0.00 42.92 44.03 2jk8 s ASP 64 CO -0.02 -0.96 2.03 0.71 0.68 0.00 0.00 175.17 177.60 2jk8 h THR 65 N 1.89 0.96 -0.72 2.11 1.35 -1.97 -0.76 112.91 115.78 2jk8 h THR 65 Ca -0.33 -0.58 0.02 0.00 -0.55 0.00 0.00 66.41 64.98 2jk8 h THR 65 Cb 1.26 1.32 -0.04 0.00 -1.73 0.00 0.00 68.15 68.97 2jk8 h THR 65 CO 0.51 0.16 0.48 0.00 -0.25 0.00 0.00 175.52 176.42 2jk8 h ALA 66 N 1.84 1.53 -0.09 6.62 0.00 -1.98 0.38 119.26 127.55 2jk8 h ALA 66 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2jk8 h ALA 66 Cb 0.31 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jk8 h ALA 66 CO 0.02 0.42 -0.04 -0.92 0.00 0.00 0.00 179.25 178.73 2jk8 h TYR 67 N 0.93 0.22 -0.81 0.00 3.20 -1.50 0.68 116.97 119.69 2jk8 h TYR 67 Ca 0.27 -0.05 0.17 0.00 3.14 0.00 0.00 58.73 62.26 2jk8 h TYR 67 Cb -0.04 -0.05 -0.11 0.00 1.54 0.00 0.00 36.73 38.07 2jk8 h TYR 67 CO -0.00 0.54 0.32 1.25 -1.64 0.00 0.00 178.16 178.63 2jk8 h LEU 68 N -0.16 0.26 -0.49 2.82 5.85 -0.45 0.20 115.31 123.33 2jk8 h LEU 68 Ca 0.02 0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.78 2jk8 h LEU 68 Cb 0.48 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 2jk8 h LEU 68 CO 0.01 0.05 -0.07 0.00 -0.34 0.00 0.00 178.44 178.09 2jk8 h HIS 70 N 0.77 1.02 0.56 0.00 -0.00 0.10 0.22 115.15 117.82 2jk8 h HIS 70 Ca 0.13 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.50 2jk8 h HIS 70 Cb 0.61 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 2jk8 h HIS 70 CO 0.05 0.59 -0.28 0.82 -0.00 0.00 0.00 177.93 179.11 2jk8 h ILE 71 N 1.06 0.43 -0.59 6.26 2.04 -0.98 0.26 117.51 125.99 2jk8 h ILE 71 Ca 0.33 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.25 2jk8 h ILE 71 Cb -0.00 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 36.45 2jk8 h ILE 71 CO -0.11 0.00 0.29 -0.74 0.00 0.00 0.00 178.15 177.59 2jk8 h HIS 72 N -0.77 0.54 -0.38 1.37 2.76 -0.96 0.22 115.15 117.92 2jk8 h HIS 72 Ca -0.08 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.14 2jk8 h HIS 72 Cb 0.60 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 2jk8 h HIS 72 CO -0.04 0.24 0.21 0.37 -1.30 0.00 0.00 177.93 177.40 2jk8 h GLN 73 N 0.55 0.41 -0.03 5.26 -0.00 -0.48 -1.16 115.11 119.66 2jk8 h GLN 73 Ca 0.27 -0.02 -0.09 0.00 -0.00 0.00 0.00 58.65 58.80 2jk8 h GLN 73 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.58 2jk8 h GLN 73 CO -0.19 0.27 -0.43 1.96 0.00 0.00 0.00 178.83 180.44 2jk8 h GLN 74 N 0.42 0.06 -0.06 1.69 1.08 -0.02 -0.76 115.11 117.51 2jk8 h GLN 74 Ca 0.16 -0.03 -0.18 0.00 -1.45 0.00 0.00 58.65 57.15 2jk8 h GLN 74 Cb 0.05 -0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2jk8 h GLN 74 CO -0.10 0.48 -0.66 -0.07 -0.95 0.00 0.00 178.83 177.53 2jk8 h LEU 75 N 0.05 0.69 -2.99 1.46 3.38 -0.59 -3.38 115.31 113.93 2jk8 h LEU 75 Ca 0.00 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.28 2jk8 h LEU 75 Cb 0.78 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2jk8 h LEU 75 CO 0.06 1.28 0.00 0.49 0.09 0.00 0.00 178.44 180.36 2jk8 n PHE 76 N -4.12 0.38 -0.34 1.13 3.72 -0.47 -4.41 117.46 113.35 2jk8 n PHE 76 Ca -0.09 -0.61 0.19 0.00 -0.05 0.00 0.00 57.45 56.89 2jk8 n PHE 76 Cb 0.69 -0.09 0.42 0.00 -0.94 0.00 0.00 39.48 39.56 2jk8 n PHE 76 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2jk8 h LYS 77 N 1.28 0.51 -0.01 -1.08 2.10 -1.32 0.18 116.57 118.23 2jk8 h LYS 77 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2jk8 h LYS 77 Cb 0.82 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 2jk8 h LYS 77 CO 0.04 0.34 -0.10 0.09 -2.00 0.00 0.00 179.45 177.82 2jk8 n ASN 78 N -4.80 1.26 -0.07 7.07 3.02 -1.26 -4.49 115.26 115.99 2jk8 n ASN 78 Ca 0.27 -1.23 -0.13 0.00 -0.03 0.00 0.00 54.58 53.45 2jk8 n ASN 78 Cb 0.79 0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.96 2jk8 n ASN 78 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2jk8 n THR 79 N -0.19 1.16 -4.75 3.41 -1.04 -0.02 -4.58 114.28 108.27 2jk8 n THR 79 Ca 0.16 -0.04 -0.31 0.00 -2.04 0.00 0.00 64.05 61.83 2jk8 n THR 79 Cb 0.35 -1.89 -0.13 0.00 -1.82 0.00 0.00 70.33 66.84 2jk8 n THR 79 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2jk8 s PHE 80 N -2.44 2.55 0.21 -1.42 2.99 -0.77 0.46 117.98 119.55 2jk8 s PHE 80 Ca -0.22 -0.26 0.23 0.00 0.00 0.00 0.00 56.93 56.67 2jk8 s PHE 80 Cb 0.07 -1.49 0.95 0.00 0.00 0.00 0.00 43.02 42.55 2jk8 s PHE 80 CO 0.30 0.22 1.85 0.93 -0.00 0.00 0.00 175.22 178.51 2jk8 h GLU 81 N 4.73 0.00 -0.89 0.44 5.08 -1.87 -2.98 114.58 119.09 2jk8 h GLU 81 Ca -0.47 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.61 2jk8 h GLU 81 Cb 1.15 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.23 2jk8 h GLU 81 CO 0.48 0.25 0.36 -2.67 -1.00 0.00 0.00 179.01 176.42 2jk8 n TRP 82 N -3.50 2.20 -0.08 4.33 4.27 -1.26 -4.82 117.44 118.58 2jk8 n TRP 82 Ca -0.00 -1.25 -0.02 0.00 -3.89 0.00 0.00 57.50 52.33 2jk8 n TRP 82 Cb 0.41 -0.69 -0.02 0.00 -1.36 0.00 0.00 31.31 29.66 2jk8 n TRP 82 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jk8 n ALA 83 N -0.39 -0.12 -0.19 -1.67 0.00 -1.13 -1.30 120.51 115.71 2jk8 n ALA 83 Ca 0.40 0.17 -0.06 0.00 0.00 0.00 0.00 53.44 53.94 2jk8 n ALA 83 Cb 1.30 0.24 0.16 0.00 0.00 0.00 0.00 19.45 21.15 2jk8 n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jk8 n GLY 84 N -1.05 2.98 3.49 0.00 0.00 -1.26 -3.68 105.19 105.67 2jk8 n GLY 84 Ca 0.00 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 2jk8 n GLY 84 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jk8 s TYR 85 N -1.93 2.92 0.45 1.61 2.02 -0.42 -4.81 117.35 117.20 2jk8 s TYR 85 Ca 0.32 -0.27 -0.21 0.00 -0.37 0.00 0.00 57.07 56.54 2jk8 s TYR 85 Cb 0.26 -1.83 -0.10 0.00 -0.40 0.00 0.00 41.96 39.89 2jk8 s TYR 85 CO 0.07 0.06 0.98 -0.51 -1.57 0.00 0.00 175.55 174.58 2jk8 s LEU 86 N -0.10 3.91 0.26 -1.29 1.43 -1.26 -4.66 118.68 116.97 2jk8 s LEU 86 Ca 0.01 1.76 0.25 0.00 -1.03 0.00 0.00 54.13 55.12 2jk8 s LEU 86 Cb -0.13 -4.55 0.93 0.00 0.03 0.00 0.00 46.19 42.47 2jk8 s LEU 86 CO 0.03 -0.49 1.75 0.08 0.23 0.00 0.00 176.35 177.95 2jk8 h ARG 87 N 1.80 0.00 -0.00 1.70 0.11 -1.68 -3.26 114.38 113.06 2jk8 h ARG 87 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2jk8 h ARG 87 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 2jk8 h ARG 87 CO 0.60 0.00 -0.00 -2.39 0.10 0.00 0.00 179.97 178.28 2jk8 n HIS 88 N -2.31 0.00 -3.83 4.08 1.44 -1.26 -3.75 115.22 109.59 2jk8 n HIS 88 Ca 0.03 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.38 2jk8 n HIS 88 Cb 0.31 -0.42 -0.12 0.00 0.12 0.00 0.00 29.99 29.89 2jk8 n HIS 88 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2jk8 s ILE 89 N -2.83 4.43 0.34 0.61 -1.09 -1.23 -4.89 121.20 116.53 2jk8 s ILE 89 Ca 0.20 -0.14 -0.26 0.00 -2.23 0.00 0.00 60.65 58.22 2jk8 s ILE 89 Cb 0.19 -3.05 -0.13 0.00 -1.58 0.00 0.00 42.46 37.89 2jk8 s ILE 89 CO 0.50 0.36 0.83 -2.65 -1.23 0.00 0.00 174.94 172.76 2jk8 n PRO 90 N 4.60 0.99 -4.01 2.79 -0.02 -1.26 -4.92 135.00 133.17 2jk8 n PRO 90 Ca -0.16 0.35 -0.30 0.00 -2.02 0.00 0.00 63.50 61.37 2jk8 n PRO 90 Cb 0.52 -1.70 -0.16 0.00 -0.02 0.00 0.00 33.50 32.13 2jk8 n PRO 90 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2jk8 s PHE 91 N -1.21 2.11 -0.23 6.00 5.36 -0.16 -4.94 117.98 124.92 2jk8 s PHE 91 Ca 0.61 -1.18 -0.17 0.00 -0.96 0.00 0.00 56.93 55.24 2jk8 s PHE 91 Cb -0.67 -1.57 -0.03 0.00 -0.34 0.00 0.00 43.02 40.41 2jk8 s PHE 91 CO 0.58 -0.66 0.44 0.99 -1.46 0.00 0.00 175.22 175.12 2jk8 s THR 92 N 1.50 5.15 0.87 0.12 2.01 -1.26 -0.85 115.64 123.17 2jk8 s THR 92 Ca 0.05 0.76 -0.12 0.00 0.31 0.00 0.00 61.69 62.69 2jk8 s THR 92 Cb -0.13 -3.77 0.11 0.00 0.01 0.00 0.00 72.50 68.73 2jk8 s THR 92 CO -0.11 0.18 1.14 -0.36 -0.69 0.00 0.00 174.62 174.78 2jk8 s PHE 93 N 1.76 2.68 0.44 4.92 0.08 -0.43 -4.96 117.98 122.47 2jk8 s PHE 93 Ca 0.20 0.89 0.25 0.00 0.12 0.00 0.00 56.93 58.39 2jk8 s PHE 93 Cb -0.15 -3.35 1.40 0.00 -0.57 0.00 0.00 43.02 40.35 2jk8 s PHE 93 CO 0.09 -2.11 2.08 0.00 -0.10 0.00 0.00 175.22 175.17 2jk8 h ALA 94 N -1.32 1.40 0.00 5.36 0.00 -1.98 -2.44 119.26 120.29 2jk8 h ALA 94 Ca -0.49 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2jk8 h ALA 94 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2jk8 h ALA 94 CO 0.62 0.15 0.00 -0.40 0.00 0.00 0.00 179.25 179.62 2jk8 n ASP 95 N -3.81 0.00 0.00 0.00 5.68 -1.26 -4.94 116.55 112.22 2jk8 n ASP 95 Ca -0.02 -0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.01 2jk8 n ASP 95 Cb 0.22 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 2jk8 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jk8 n GLY 96 N 1.15 2.22 3.83 6.12 0.00 -0.92 -5.07 105.19 112.53 2jk8 n GLY 96 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2jk8 n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jk8 s THR 97 N -2.58 4.58 -0.10 2.61 -4.23 -1.26 -4.80 115.64 109.85 2jk8 s THR 97 Ca 0.00 1.17 0.02 0.00 -1.18 0.00 0.00 61.69 61.70 2jk8 s THR 97 Cb 0.00 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 70.13 2jk8 s THR 97 CO 0.00 -0.09 -0.16 -0.89 -0.54 0.00 0.00 174.62 172.94 2jk8 s THR 98 N -1.88 2.85 0.25 3.99 2.01 -1.26 -1.31 115.64 120.28 2jk8 s THR 98 Ca 0.52 -0.75 0.08 0.00 0.31 0.00 0.00 61.69 61.85 2jk8 s THR 98 Cb -0.12 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 2jk8 s THR 98 CO 0.18 0.55 0.08 0.00 -0.69 0.00 0.00 174.62 174.73 2jk8 s ALA 99 N 0.09 3.34 0.28 7.40 0.00 -0.03 -2.97 121.76 129.87 2jk8 s ALA 99 Ca -0.07 -1.53 -0.20 0.00 0.00 0.00 0.00 51.96 50.15 2jk8 s ALA 99 Cb -0.15 -1.01 0.03 0.00 0.00 0.00 0.00 23.12 22.00 2jk8 s ALA 99 CO 0.05 0.28 0.76 0.00 0.00 0.00 0.00 175.76 176.86 2jk8 s ALA 100 N -2.19 -1.19 0.53 0.00 0.00 -1.22 -0.98 121.76 116.71 2jk8 s ALA 100 Ca 0.32 -0.35 -0.21 0.00 0.00 0.00 0.00 51.96 51.72 2jk8 s ALA 100 Cb -0.07 0.79 -0.07 0.00 0.00 0.00 0.00 23.12 23.77 2jk8 s ALA 100 CO 0.22 -1.03 1.05 -1.33 0.00 0.00 0.00 175.76 174.66 2jk8 n MET 101 N -0.48 1.22 -2.29 0.00 2.81 -1.25 -3.44 117.12 113.69 2jk8 n MET 101 Ca -0.05 0.45 -0.43 0.00 -1.81 0.00 0.00 57.70 55.86 2jk8 n MET 101 Cb 0.59 -2.20 -0.02 0.00 -0.71 0.00 0.00 33.22 30.88 2jk8 n MET 101 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2jk8 s PRO 102 N -2.51 4.09 0.00 0.03 0.04 -1.26 -4.72 135.00 130.68 2jk8 s PRO 102 Ca 0.70 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.43 2jk8 s PRO 102 Cb -0.46 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.20 2jk8 s PRO 102 CO 0.51 -0.91 0.00 0.39 0.04 0.00 0.00 177.00 177.03 2jk8 n GLU 103 N 7.02 0.29 0.00 4.56 1.02 -1.26 -5.10 120.64 127.17 2jk8 n GLU 103 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2jk8 n GLU 103 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 2jk8 n GLU 103 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jk8 n MET 104 N -0.91 0.00 -4.22 3.49 0.00 -1.26 -5.15 117.12 109.06 2jk8 n MET 104 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.47 2jk8 n MET 104 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.15 2jk8 n MET 104 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2jk8 s LYS 105 N 2.31 2.27 0.00 3.17 1.02 -1.26 -4.82 119.74 122.43 2jk8 s LYS 105 Ca 0.00 -1.56 0.00 0.00 0.02 0.00 0.00 55.97 54.43 2jk8 s LYS 105 Cb 0.00 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 2jk8 s LYS 105 CO 0.00 0.20 0.00 0.54 -0.92 0.00 0.00 175.35 175.17 2jk8 n ARG 106 N -1.02 0.00 -0.02 1.68 1.74 -1.26 -5.04 116.66 112.74 2jk8 n ARG 106 Ca -0.04 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.88 2jk8 n ARG 106 Cb 0.61 -1.03 -0.11 0.00 -1.02 0.00 0.00 32.46 30.91 2jk8 n ARG 106 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2jk8 h THR 107 N 0.00 1.53 -0.90 0.55 2.02 -2.00 -3.25 112.91 110.85 2jk8 h THR 107 Ca 0.00 -1.97 0.26 0.00 0.77 0.00 0.00 66.41 65.47 2jk8 h THR 107 Cb 0.41 2.74 -0.04 0.00 -1.74 0.00 0.00 68.15 69.53 2jk8 h THR 107 CO 0.00 0.55 0.69 1.23 0.37 0.00 0.00 175.52 178.36 2jk8 h GLY 108 N -0.44 0.00 -4.04 2.16 0.00 -2.01 -0.86 103.07 97.88 2jk8 h GLY 108 Ca -0.04 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.70 2jk8 h GLY 108 CO 0.06 0.00 -0.46 0.79 0.00 0.00 0.00 176.54 176.93 2jk8 n TRP 109 N -4.11 2.99 -1.99 5.60 7.02 -1.23 -5.02 117.44 120.70 2jk8 n TRP 109 Ca 0.19 -2.55 -0.35 0.00 -1.02 0.00 0.00 57.50 53.76 2jk8 n TRP 109 Cb 1.01 -0.47 0.03 0.00 -2.42 0.00 0.00 31.31 29.46 2jk8 n TRP 109 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2jk8 s LYS 110 N -3.64 2.97 -0.45 -0.99 1.02 -0.33 -4.87 119.74 113.44 2jk8 s LYS 110 Ca 0.52 1.73 -0.20 0.00 0.02 0.00 0.00 55.97 58.04 2jk8 s LYS 110 Cb 0.42 -1.94 0.03 0.00 -0.52 0.00 0.00 37.83 35.82 2jk8 s LYS 110 CO -0.05 -1.19 0.61 1.21 -0.92 0.00 0.00 175.35 175.02 2jk8 s ASN 111 N -1.77 6.28 0.41 2.83 3.84 -1.26 -4.96 114.94 120.31 2jk8 s ASN 111 Ca 0.75 -0.54 0.20 0.00 0.21 0.00 0.00 52.86 53.48 2jk8 s ASN 111 Cb -0.28 -2.30 1.14 0.00 -0.55 0.00 0.00 41.25 39.26 2jk8 s ASN 111 CO 0.34 -0.78 1.76 0.00 -2.79 0.00 0.00 177.10 175.63 2jk8 h ALA 112 N 8.89 2.29 -0.60 1.71 0.00 -2.00 -2.23 119.26 127.32 2jk8 h ALA 112 Ca -0.26 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2jk8 h ALA 112 Cb 1.10 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jk8 h ALA 112 CO 0.90 -0.71 0.00 1.19 0.00 0.00 0.00 179.25 180.63 2jk8 n PHE 113 N -4.61 1.74 -4.18 0.00 3.72 -1.26 -4.91 117.46 107.96 2jk8 n PHE 113 Ca 0.26 -0.64 -0.28 0.00 -0.05 0.00 0.00 57.45 56.73 2jk8 n PHE 113 Cb 0.92 -0.37 -0.08 0.00 -0.94 0.00 0.00 39.48 39.01 2jk8 n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jk8 s ALA 114 N -2.27 3.20 0.65 4.37 0.00 -0.84 -5.11 121.76 121.77 2jk8 s ALA 114 Ca 0.51 -1.25 -0.18 0.00 0.00 0.00 0.00 51.96 51.04 2jk8 s ALA 114 Cb 0.36 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 2jk8 s ALA 114 CO 0.20 0.59 1.29 -0.89 0.00 0.00 0.00 175.76 176.95 2jk8 n ILE 115 N 0.25 4.97 -0.21 0.00 5.41 -1.26 -4.91 119.36 123.61 2jk8 n ILE 115 Ca -0.11 -0.50 0.01 0.00 1.00 0.00 0.00 62.75 63.15 2jk8 n ILE 115 Cb 0.53 -1.49 0.12 0.00 -0.71 0.00 0.00 39.64 38.09 2jk8 n ILE 115 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2jk8 h GLY 116 N 0.53 0.87 -2.65 7.39 0.00 -1.97 -3.47 103.07 103.77 2jk8 h GLY 116 Ca -0.51 -0.11 0.25 0.00 0.00 0.00 0.00 47.33 46.97 2jk8 h GLY 116 CO 0.53 -0.04 0.67 0.51 0.00 0.00 0.00 176.54 178.21 2jk8 s ASP 117 N -5.37 -0.12 0.41 0.19 -4.77 -1.26 -5.06 116.67 100.69 2jk8 s ASP 117 Ca -0.13 -0.24 0.09 0.00 -3.30 0.00 0.00 52.55 48.97 2jk8 s ASP 117 Cb 0.17 0.31 0.90 0.00 -1.09 0.00 0.00 42.92 43.21 2jk8 s ASP 117 CO 0.75 -0.57 2.01 -0.33 0.70 0.00 0.00 175.17 177.73 2jk8 h GLU 118 N 2.00 0.53 0.36 2.11 3.07 -2.00 -2.28 114.58 118.38 2jk8 h GLU 118 Ca -0.27 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.54 2jk8 h GLU 118 Cb 1.21 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 2jk8 h GLU 118 CO 0.27 0.35 -0.17 0.82 -1.40 0.00 0.00 179.01 178.88 2jk8 h ILE 119 N 0.54 0.66 -0.32 3.13 2.04 -1.97 -1.43 117.51 120.16 2jk8 h ILE 119 Ca 0.23 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.96 2jk8 h ILE 119 Cb 0.24 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2jk8 h ILE 119 CO -0.06 0.04 0.08 1.56 0.00 0.00 0.00 178.15 179.76 2jk8 h GLN 120 N -0.58 0.19 -0.58 2.37 4.20 -1.87 -1.02 115.11 117.83 2jk8 h GLN 120 Ca -0.05 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.67 2jk8 h GLN 120 Cb 0.43 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 2jk8 h GLN 120 CO 0.08 0.13 0.36 1.49 -0.67 0.00 0.00 178.83 180.22 2jk8 h GLU 121 N 0.20 0.70 -0.51 1.46 4.81 -1.40 -1.09 114.58 118.75 2jk8 h GLU 121 Ca 0.15 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 2jk8 h GLU 121 Cb 0.15 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2jk8 h GLU 121 CO -0.18 0.46 -0.02 0.78 -0.73 0.00 0.00 179.01 179.32 2jk8 h GLY 122 N 0.72 0.99 1.05 1.92 0.00 -0.87 -2.19 103.07 104.69 2jk8 h GLY 122 Ca 0.23 -0.74 -0.15 0.00 0.00 0.00 0.00 47.33 46.67 2jk8 h GLY 122 CO -0.09 0.68 -0.39 1.41 0.00 0.00 0.00 176.54 178.15 2jk8 h LEU 123 N 0.78 0.87 -0.58 3.11 3.38 -1.03 -1.29 115.31 120.55 2jk8 h LEU 123 Ca 0.14 -0.50 0.05 0.00 0.09 0.00 0.00 57.88 57.66 2jk8 h LEU 123 Cb 0.55 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 2jk8 h LEU 123 CO 0.03 1.19 0.32 1.56 0.09 0.00 0.00 178.44 181.63 2jk8 h GLN 124 N 0.57 0.59 -0.21 1.13 4.20 -1.19 -1.43 115.11 118.77 2jk8 h GLN 124 Ca 0.04 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.73 2jk8 h GLN 124 Cb 0.98 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 2jk8 h GLN 124 CO 0.09 0.39 0.09 -0.09 -0.67 0.00 0.00 178.83 178.64 2jk8 h ARG 125 N 0.61 0.19 0.24 1.46 2.43 -1.33 -1.30 114.38 116.68 2jk8 h ARG 125 Ca 0.25 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.42 2jk8 h ARG 125 Cb 0.13 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 2jk8 h ARG 125 CO -0.15 0.12 -0.41 1.25 -1.51 0.00 0.00 179.97 179.27 2jk8 h LEU 126 N 0.19 -1.16 -1.19 3.80 5.85 -0.91 -0.50 115.31 121.40 2jk8 h LEU 126 Ca 0.09 0.12 0.25 0.00 0.84 0.00 0.00 57.88 59.17 2jk8 h LEU 126 Cb 0.04 0.41 -0.11 0.00 0.37 0.00 0.00 40.66 41.38 2jk8 h LEU 126 CO -0.08 -0.51 0.63 0.44 -0.34 0.00 0.00 178.44 178.59 2jk8 h ASP 127 N -0.72 0.57 -0.19 1.25 3.32 -1.18 -2.26 116.42 117.21 2jk8 h ASP 127 Ca -0.00 0.10 -0.18 0.00 0.02 0.00 0.00 57.03 56.97 2jk8 h ASP 127 Cb 0.70 0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.26 2jk8 h ASP 127 CO -0.16 0.12 -0.59 -0.61 -1.72 0.00 0.00 179.24 176.28 2jk8 h GLN 128 N 0.51 0.74 -0.07 3.56 5.75 -0.19 -2.55 115.11 122.86 2jk8 h GLN 128 Ca 0.61 -0.54 -0.19 0.00 -0.15 0.00 0.00 58.65 58.38 2jk8 h GLN 128 Cb 1.32 0.09 0.01 0.00 1.07 0.00 0.00 27.48 29.97 2jk8 h GLN 128 CO -0.37 1.16 -0.70 1.79 -2.65 0.00 0.00 178.83 178.05 2jk8 h THR 129 N 0.46 1.34 -0.99 2.39 1.35 -0.65 -2.21 112.91 114.59 2jk8 h THR 129 Ca -0.02 -2.00 0.05 0.00 -0.55 0.00 0.00 66.41 63.89 2jk8 h THR 129 Cb 1.21 2.27 -0.06 0.00 -1.73 0.00 0.00 68.15 69.83 2jk8 h THR 129 CO 0.13 0.61 0.64 -0.07 -0.25 0.00 0.00 175.52 176.58 2jk8 h LEU 130 N 0.23 1.05 -0.71 3.87 3.38 -1.50 -1.65 115.31 119.98 2jk8 h LEU 130 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2jk8 h LEU 130 Cb 1.36 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 2jk8 h LEU 130 CO 0.14 0.69 0.40 0.00 0.09 0.00 0.00 178.44 179.76 2jk8 h ALA 131 N 1.43 0.90 0.00 1.53 0.00 -1.38 -0.19 119.26 121.55 2jk8 h ALA 131 Ca 0.41 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2jk8 h ALA 131 Cb 0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2jk8 h ALA 131 CO -0.15 0.41 -0.02 0.93 0.00 0.00 0.00 179.25 180.42 2jk8 h GLU 132 N 0.97 0.00 -0.39 0.00 5.08 -0.74 -3.18 114.58 116.31 2jk8 h GLU 132 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2jk8 h GLU 132 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2jk8 h GLU 132 CO -0.04 0.02 0.00 1.63 -1.00 0.00 0.00 179.01 179.62 2jk8 n LYS 133 N -3.11 3.12 -3.85 2.33 5.02 -0.68 -4.97 118.16 116.01 2jk8 n LYS 133 Ca 0.01 -2.54 -0.26 0.00 -2.02 0.00 0.00 58.31 53.50 2jk8 n LYS 133 Cb 0.37 -1.63 0.02 0.00 -0.02 0.00 0.00 35.03 33.77 2jk8 n LYS 133 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2jk8 n ASN 134 N 0.32 -2.56 -2.59 4.39 3.02 -1.07 -1.76 115.26 115.01 2jk8 n ASN 134 Ca 0.19 -0.84 -0.20 0.00 -0.03 0.00 0.00 54.58 53.69 2jk8 n ASN 134 Cb 0.71 -3.76 0.00 0.00 -0.61 0.00 0.00 39.78 36.12 2jk8 n ASN 134 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jk8 n ASN 135 N -2.94 -5.48 -3.49 6.41 3.02 -0.11 -2.58 115.26 110.10 2jk8 n ASN 135 Ca -0.15 -0.05 -0.20 0.00 -0.03 0.00 0.00 54.58 54.15 2jk8 n ASN 135 Cb 0.61 -4.54 0.08 0.00 -0.61 0.00 0.00 39.78 35.32 2jk8 n ASN 135 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2jk8 n LEU 136 N -3.23 -3.75 -0.01 3.41 4.77 -0.73 -4.72 117.00 112.75 2jk8 n LEU 136 Ca -0.19 -0.58 -0.00 0.00 -0.03 0.00 0.00 56.01 55.21 2jk8 n LEU 136 Cb 0.65 -3.07 -0.00 0.00 -2.33 0.00 0.00 43.42 38.67 2jk8 n LEU 136 CO 0.32 0.50 0.00 -0.61 -1.33 0.00 0.00 177.39 176.27 2jk8 h GLN 137 N -2.25 -0.00 -2.01 3.23 4.15 -1.55 -3.40 115.11 113.27 2jk8 h GLN 137 Ca -0.58 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 58.57 2jk8 h GLN 137 Cb 1.35 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.95 2jk8 h GLN 137 CO 0.52 -0.00 -0.15 0.41 -1.93 0.00 0.00 178.83 177.68 2jk8 n GLY 138 N 1.95 3.35 3.67 2.39 0.00 -1.26 -4.72 105.19 110.56 2jk8 n GLY 138 Ca -0.00 -1.38 -0.26 0.00 0.00 0.00 0.00 46.02 44.38 2jk8 n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jk8 s LEU 139 N -0.54 2.99 0.69 0.99 1.43 -1.26 -5.14 118.68 117.83 2jk8 s LEU 139 Ca 0.65 -1.18 -0.05 0.00 -1.03 0.00 0.00 54.13 52.51 2jk8 s LEU 139 Cb 0.33 -1.20 0.06 0.00 0.03 0.00 0.00 46.19 45.42 2jk8 s LEU 139 CO -0.06 -0.45 0.98 0.42 0.23 0.00 0.00 176.35 177.48 2jk8 s THR 140 N -2.63 2.32 0.10 5.49 -4.23 -1.26 -4.89 115.64 110.53 2jk8 s THR 140 Ca 0.37 -0.34 -0.22 0.00 -1.18 0.00 0.00 61.69 60.32 2jk8 s THR 140 Cb 0.06 -2.98 -0.13 0.00 1.34 0.00 0.00 72.50 70.78 2jk8 s THR 140 CO 0.20 0.00 1.74 0.03 -0.54 0.00 0.00 174.62 176.05 2jk8 h ARG 141 N -0.52 0.05 -0.10 3.99 3.08 -1.99 0.06 114.38 118.95 2jk8 h ARG 141 Ca -0.44 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.63 2jk8 h ARG 141 Cb 1.31 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 2jk8 h ARG 141 CO 0.57 0.04 -0.05 0.93 -1.07 0.00 0.00 179.97 180.39 2jk8 h GLU 142 N 0.05 -0.05 -0.28 0.04 5.08 -1.99 0.27 114.58 117.70 2jk8 h GLU 142 Ca 0.01 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2jk8 h GLU 142 Cb -0.00 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2jk8 h GLU 142 CO -0.00 -0.03 0.06 0.93 -1.00 0.00 0.00 179.01 178.96 2jk8 h GLU 143 N -0.05 0.16 -0.33 2.33 5.08 -1.95 -1.33 114.58 118.48 2jk8 h GLU 143 Ca 0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2jk8 h GLU 143 Cb 0.14 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2jk8 h GLU 143 CO -0.13 0.10 0.17 0.35 -1.00 0.00 0.00 179.01 178.50 2jk8 h PHE 144 N 0.16 0.47 -0.67 4.33 3.57 -0.35 -2.31 116.94 122.15 2jk8 h PHE 144 Ca 0.13 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 2jk8 h PHE 144 Cb 0.13 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 2jk8 h PHE 144 CO -0.16 0.40 0.30 -0.91 -2.23 0.00 0.00 178.31 175.71 2jk8 h ASN 145 N 0.40 0.87 -0.61 0.41 2.35 -0.41 -0.86 115.58 117.75 2jk8 h ASN 145 Ca 0.11 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 2jk8 h ASN 145 Cb 0.10 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 2jk8 h ASN 145 CO -0.02 0.76 0.28 -1.28 -1.65 0.00 0.00 177.43 175.52 2jk8 h SER 146 N 0.95 0.81 -0.15 5.81 0.87 -0.95 -1.49 113.55 119.41 2jk8 h SER 146 Ca 0.23 -0.14 -0.20 0.00 -1.23 0.00 0.00 61.79 60.45 2jk8 h SER 146 Cb 0.13 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 61.89 2jk8 h SER 146 CO -0.03 0.72 -0.67 -0.33 -0.53 0.00 0.00 176.83 176.00 2jk8 h GLU 147 N 0.84 0.71 -0.78 2.24 4.39 -1.25 -3.19 114.58 117.54 2jk8 h GLU 147 Ca 0.21 -0.57 -0.03 0.00 0.34 0.00 0.00 59.36 59.31 2jk8 h GLU 147 Cb 0.14 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 2jk8 h GLU 147 CO -0.02 1.19 0.38 0.00 -1.16 0.00 0.00 179.01 179.40 2jk8 h ALA 148 N 0.53 1.01 -0.93 3.43 0.00 -1.09 -2.08 119.26 120.13 2jk8 h ALA 148 Ca -0.04 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.75 2jk8 h ALA 148 Cb 1.30 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2jk8 h ALA 148 CO 0.14 0.56 0.61 0.82 0.00 0.00 0.00 179.25 181.38 2jk8 h ILE 149 N 1.10 1.18 -0.37 0.00 2.04 -1.33 0.55 117.51 120.68 2jk8 h ILE 149 Ca 0.27 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 2jk8 h ILE 149 Cb 0.11 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.04 2jk8 h ILE 149 CO -0.04 0.22 0.12 -0.33 0.00 0.00 0.00 178.15 178.12 2jk8 h GLU 150 N 1.21 0.58 -0.57 2.37 5.08 -1.45 -0.07 114.58 121.72 2jk8 h GLU 150 Ca 0.36 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.52 2jk8 h GLU 150 Cb -0.05 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2jk8 h GLU 150 CO -0.11 0.59 0.06 -0.07 -1.00 0.00 0.00 179.01 178.48 2jk8 h LEU 151 N 0.46 0.94 0.23 1.33 3.38 -0.98 -2.48 115.31 118.19 2jk8 h LEU 151 Ca 0.12 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2jk8 h LEU 151 Cb 0.25 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2jk8 h LEU 151 CO -0.00 0.98 -0.11 0.15 0.09 0.00 0.00 178.44 179.55 2jk8 h PHE 152 N 0.86 -0.29 -0.67 1.13 3.57 0.26 -1.39 116.94 120.42 2jk8 h PHE 152 Ca 0.17 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.75 2jk8 h PHE 152 Cb 0.47 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.23 2jk8 h PHE 152 CO 0.03 -0.02 0.31 -0.91 -2.23 0.00 0.00 178.31 175.49 2jk8 h ASN 153 N -0.54 0.38 0.37 0.41 4.21 -1.07 -0.17 115.58 119.16 2jk8 h ASN 153 Ca -0.03 0.07 -0.01 0.00 1.21 0.00 0.00 56.30 57.54 2jk8 h ASN 153 Cb 0.40 0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.59 2jk8 h ASN 153 CO 0.05 0.22 -0.29 -1.28 -1.29 0.00 0.00 177.43 174.83 2jk8 h SER 154 N 0.53 -0.77 -0.42 5.81 0.87 -1.32 -2.34 113.55 115.91 2jk8 h SER 154 Ca 0.33 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.93 2jk8 h SER 154 Cb 0.37 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 2jk8 h SER 154 CO -0.28 -0.44 0.20 0.25 -0.53 0.00 0.00 176.83 176.03 2jk8 h LEU 155 N -0.67 0.59 -0.68 2.23 5.85 -0.96 -2.93 115.31 118.74 2jk8 h LEU 155 Ca -0.03 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.52 2jk8 h LEU 155 Cb 0.58 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2jk8 h LEU 155 CO -0.01 0.53 -0.20 -1.13 -0.34 0.00 0.00 178.44 177.29 2jk8 h ASN 156 N 0.66 0.82 -0.13 1.25 -0.00 -0.67 -2.85 115.58 114.65 2jk8 h ASN 156 Ca 0.16 -0.29 -0.11 0.00 -0.00 0.00 0.00 56.30 56.07 2jk8 h ASN 156 Cb 0.11 -0.22 -0.01 0.00 -0.00 0.00 0.00 38.32 38.20 2jk8 h ASN 156 CO -0.02 1.00 -0.26 1.56 -0.00 0.00 0.00 177.43 179.71 2jk8 h GLN 157 N 0.71 0.59 -0.57 6.67 4.20 -1.25 -3.06 115.11 122.41 2jk8 h GLN 157 Ca 0.10 -0.24 0.07 0.00 0.06 0.00 0.00 58.65 58.65 2jk8 h GLN 157 Cb 0.71 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.43 2jk8 h GLN 157 CO 0.05 0.80 0.38 -0.07 -0.67 0.00 0.00 178.83 179.32 2jk8 h LEU 158 N 0.51 0.43 -3.25 1.46 3.38 -1.40 -3.47 115.31 112.98 2jk8 h LEU 158 Ca 0.07 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.54 2jk8 h LEU 158 Cb 0.72 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 41.41 2jk8 h LEU 158 CO 0.06 0.28 -0.96 1.41 0.09 0.00 0.00 178.44 179.31 2jk8 n HIS 159 N -4.47 -1.67 0.28 1.13 8.25 -1.16 -4.80 115.22 112.78 2jk8 n HIS 159 Ca 0.08 0.36 0.15 0.00 -0.26 0.00 0.00 57.72 58.05 2jk8 n HIS 159 Cb 0.28 -3.23 0.82 0.00 1.12 0.00 0.00 29.99 28.98 2jk8 n HIS 159 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2jk8 h PRO 160 N -2.14 0.00 -6.33 -0.41 0.13 -1.90 -3.41 132.00 117.93 2jk8 h PRO 160 Ca -0.68 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 63.83 2jk8 h PRO 160 Cb 1.38 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.40 2jk8 h PRO 160 CO 0.52 0.07 -0.65 -0.06 -0.23 0.00 0.00 178.00 177.65 2jk8 s PHE 161 N -4.20 2.95 0.42 1.56 0.08 -1.26 -1.72 117.98 115.80 2jk8 s PHE 161 Ca -0.03 -0.07 0.14 0.00 0.12 0.00 0.00 56.93 57.09 2jk8 s PHE 161 Cb 0.13 -1.47 1.01 0.00 -0.57 0.00 0.00 43.02 42.12 2jk8 s PHE 161 CO 0.55 0.50 1.93 -0.09 -0.10 0.00 0.00 175.22 178.00 2jk8 h ARG 162 N 3.03 0.44 -2.80 0.44 9.65 -1.83 -3.44 114.38 119.87 2jk8 h ARG 162 Ca -0.47 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.39 2jk8 h ARG 162 Cb 1.18 -0.10 -0.13 0.00 -1.39 0.00 0.00 29.97 29.54 2jk8 h ARG 162 CO 0.59 0.29 0.29 -2.00 2.80 0.00 0.00 179.97 181.94 2jk8 s GLU 163 N -5.44 1.15 0.00 0.20 2.56 -1.26 -4.96 118.70 110.95 2jk8 s GLU 163 Ca -0.08 -0.42 0.00 0.00 0.00 0.00 0.00 54.97 54.47 2jk8 s GLU 163 Cb 0.21 0.53 0.00 0.00 2.00 0.00 0.00 34.13 36.87 2jk8 s GLU 163 CO 0.77 -0.50 0.00 0.41 -0.56 0.00 0.00 175.26 175.37 2jk8 n GLY 164 N -0.34 0.69 0.27 -1.50 0.00 -1.26 -4.97 105.19 98.07 2jk8 n GLY 164 Ca -0.15 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.52 2jk8 n GLY 164 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2jk8 h ASN 165 N 0.00 0.80 0.60 1.61 2.35 -1.93 -3.14 115.58 115.87 2jk8 h ASN 165 Ca 0.00 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.62 2jk8 h ASN 165 Cb 0.00 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 2jk8 h ASN 165 CO 0.00 0.69 -0.43 1.23 -1.65 0.00 0.00 177.43 177.27 2jk8 h GLY 166 N 0.86 -1.11 1.13 2.83 0.00 -1.99 -2.02 103.07 102.77 2jk8 h GLY 166 Ca 0.22 0.48 -0.04 0.00 0.00 0.00 0.00 47.33 47.99 2jk8 h GLY 166 CO -0.03 -0.38 0.34 3.21 0.00 0.00 0.00 176.54 179.68 2jk8 h ARG 167 N -0.99 1.12 -0.04 4.80 3.08 -2.00 -0.99 114.38 119.36 2jk8 h ARG 167 Ca -0.07 -0.18 -0.19 0.00 0.07 0.00 0.00 59.98 59.62 2jk8 h ARG 167 Cb 0.82 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 2jk8 h ARG 167 CO 0.03 0.88 -0.78 1.79 -1.07 0.00 0.00 179.97 180.82 2jk8 h THR 168 N 1.10 1.42 -0.08 2.04 1.35 -1.49 -2.38 112.91 114.87 2jk8 h THR 168 Ca 0.26 -2.31 -0.03 0.00 -0.55 0.00 0.00 66.41 63.78 2jk8 h THR 168 Cb 0.16 2.25 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 2jk8 h THR 168 CO -0.03 0.68 -0.08 -0.61 -0.25 0.00 0.00 175.52 175.24 2jk8 h GLN 169 N 0.19 0.20 -0.64 4.72 4.15 -1.18 -0.84 115.11 121.71 2jk8 h GLN 169 Ca -0.04 -0.10 0.06 0.00 0.77 0.00 0.00 58.65 59.34 2jk8 h GLN 169 Cb 1.37 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.01 2jk8 h GLN 169 CO 0.13 0.62 0.34 0.00 -1.93 0.00 0.00 178.83 177.99 2jk8 h ARG 170 N -0.22 0.61 -0.11 1.69 3.08 -1.18 -2.78 114.38 115.48 2jk8 h ARG 170 Ca 0.01 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 59.83 2jk8 h ARG 170 Cb 0.58 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2jk8 h ARG 170 CO 0.02 0.41 -0.74 1.25 -1.07 0.00 0.00 179.97 179.83 2jk8 h LEU 171 N 0.63 0.66 -1.02 3.04 6.46 -1.38 -1.56 115.31 122.13 2jk8 h LEU 171 Ca 0.29 -0.43 0.11 0.00 -0.12 0.00 0.00 57.88 57.73 2jk8 h LEU 171 Cb 0.20 -0.20 -0.08 0.00 -0.73 0.00 0.00 40.66 39.86 2jk8 h LEU 171 CO -0.19 1.20 0.63 0.15 -0.62 0.00 0.00 178.44 179.61 2jk8 h PHE 172 N 0.38 1.14 0.00 1.25 3.57 -0.98 -2.38 116.94 119.92 2jk8 h PHE 172 Ca -0.04 0.03 -0.28 0.00 3.53 0.00 0.00 57.97 61.21 2jk8 h PHE 172 Cb 1.34 -0.37 -0.05 0.00 2.79 0.00 0.00 35.95 39.67 2jk8 h PHE 172 CO 0.06 0.48 -1.60 0.74 -2.23 0.00 0.00 178.31 175.77 2jk8 h PHE 173 N 1.02 0.01 -0.46 0.41 0.04 -1.40 -2.48 116.94 114.08 2jk8 h PHE 173 Ca 0.48 -0.00 0.05 0.00 2.80 0.00 0.00 57.97 61.30 2jk8 h PHE 173 Cb 0.43 -0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.53 2jk8 h PHE 173 CO -0.00 1.01 0.18 1.49 -0.60 0.00 0.00 178.31 180.38 2jk8 h GLU 174 N 0.00 0.35 0.00 1.51 4.81 -1.14 -1.44 114.58 118.67 2jk8 h GLU 174 Ca -0.24 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.89 2jk8 h GLU 174 Cb 1.98 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 31.27 2jk8 h GLU 174 CO 0.09 0.23 -0.36 -0.91 -0.73 0.00 0.00 179.01 177.33 2jk8 h ASN 175 N 0.36 0.00 0.06 1.04 4.21 -1.50 -1.22 115.58 118.53 2jk8 h ASN 175 Ca 0.21 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.72 2jk8 h ASN 175 Cb 0.19 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.39 2jk8 h ASN 175 CO -0.20 0.36 -0.03 0.25 -1.29 0.00 0.00 177.43 176.51 2jk8 h LEU 176 N 0.00 -0.07 -0.76 1.61 5.85 -1.01 -2.55 115.31 118.37 2jk8 h LEU 176 Ca -0.00 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 2jk8 h LEU 176 Cb 0.90 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 2jk8 h LEU 176 CO 0.05 0.34 0.32 0.00 -0.34 0.00 0.00 178.44 178.80 2jk8 h ALA 177 N 0.40 0.99 -0.47 1.25 0.00 -1.22 -1.67 119.26 118.54 2jk8 h ALA 177 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2jk8 h ALA 177 Cb 0.43 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2jk8 h ALA 177 CO 0.01 0.60 0.27 -0.22 0.00 0.00 0.00 179.25 179.91 2jk8 h LYS 178 N 1.10 0.65 -0.41 0.00 3.64 -1.27 -0.35 116.57 119.92 2jk8 h LYS 178 Ca 0.26 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2jk8 h LYS 178 Cb 0.19 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 2jk8 h LYS 178 CO -0.02 0.50 0.22 0.00 -2.27 0.00 0.00 179.45 177.87 2jk8 h ALA 179 N 1.11 0.52 0.00 5.00 0.00 -1.30 -2.82 119.26 121.77 2jk8 h ALA 179 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jk8 h ALA 179 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2jk8 h ALA 179 CO -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.09 2jk8 n ALA 180 N -2.28 2.23 -0.10 0.00 0.00 -0.64 -4.85 120.51 114.88 2jk8 n ALA 180 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2jk8 n ALA 180 Cb 0.09 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2jk8 n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jk8 n GLY 181 N 0.35 0.70 0.00 0.00 0.00 -0.88 -4.70 105.19 100.65 2jk8 n GLY 181 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2jk8 n GLY 181 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jk8 n HIS 182 N -2.04 -0.08 -4.08 1.61 8.25 -0.19 -5.01 115.22 113.68 2jk8 n HIS 182 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 2jk8 n HIS 182 Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 2jk8 n HIS 182 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2jk8 s GLN 183 N 1.18 0.59 -0.44 -0.41 -0.21 -1.26 -3.81 119.66 115.29 2jk8 s GLN 183 Ca 0.00 -0.84 0.05 0.00 0.02 0.00 0.00 55.36 54.59 2jk8 s GLN 183 Cb 0.00 -0.34 0.18 0.00 1.00 0.00 0.00 33.01 33.85 2jk8 s GLN 183 CO 0.00 0.06 0.53 -0.51 -2.12 0.00 0.00 175.29 173.24 2jk8 s LEU 184 N -1.75 -0.36 -0.92 2.90 1.43 -1.26 -4.41 118.68 114.31 2jk8 s LEU 184 Ca -0.07 -1.95 -0.24 0.00 -1.03 0.00 0.00 54.13 50.84 2jk8 s LEU 184 Cb -0.08 0.96 0.02 0.00 0.03 0.00 0.00 46.19 47.12 2jk8 s LEU 184 CO 0.00 -0.15 1.56 0.20 0.23 0.00 0.00 176.35 178.20 2jk8 s ASN 185 N 0.90 6.06 0.07 2.29 -0.87 -1.12 -4.50 114.94 117.77 2jk8 s ASN 185 Ca 0.26 -1.01 0.26 0.00 -1.57 0.00 0.00 52.86 50.80 2jk8 s ASN 185 Cb -0.03 -2.56 1.04 0.00 -0.02 0.00 0.00 41.25 39.68 2jk8 s ASN 185 CO -0.08 -1.89 1.82 0.49 -2.57 0.00 0.00 177.10 174.87 2jk8 n PHE 186 N 10.35 0.29 0.29 2.20 3.72 -1.26 -2.95 117.46 130.10 2jk8 n PHE 186 Ca 0.29 0.09 0.17 0.00 -0.05 0.00 0.00 57.45 57.95 2jk8 n PHE 186 Cb 0.50 -0.65 0.81 0.00 -0.94 0.00 0.00 39.48 39.21 2jk8 n PHE 186 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2jk8 h SER 187 N 0.00 0.00 -0.31 4.37 4.64 -1.99 -2.07 113.55 118.19 2jk8 h SER 187 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jk8 h SER 187 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2jk8 h SER 187 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 2jk8 n LEU 188 N -2.73 2.19 -4.32 5.97 4.77 -1.15 -4.84 117.00 116.87 2jk8 n LEU 188 Ca -0.01 -1.00 -0.34 0.00 -0.03 0.00 0.00 56.01 54.62 2jk8 n LEU 188 Cb 0.15 -0.21 -0.14 0.00 -2.33 0.00 0.00 43.42 40.89 2jk8 n LEU 188 CO 0.19 0.50 -0.40 -0.63 -1.33 0.00 0.00 177.39 175.72 2jk8 s ILE 189 N -1.59 3.26 0.76 -0.08 -1.09 -0.78 -5.02 121.20 116.65 2jk8 s ILE 189 Ca 0.32 -0.55 -0.11 0.00 -2.23 0.00 0.00 60.65 58.08 2jk8 s ILE 189 Cb 0.17 -2.45 0.05 0.00 -1.58 0.00 0.00 42.46 38.65 2jk8 s ILE 189 CO 0.24 0.46 1.10 0.42 -1.23 0.00 0.00 174.94 175.92 2jk8 s THR 190 N 1.15 3.26 0.27 2.92 -4.23 -1.26 -4.90 115.64 112.85 2jk8 s THR 190 Ca 0.02 0.44 -0.02 0.00 -1.18 0.00 0.00 61.69 60.94 2jk8 s THR 190 Cb -0.14 -2.91 0.27 0.00 1.34 0.00 0.00 72.50 71.05 2jk8 s THR 190 CO -0.02 -0.51 1.91 0.11 -0.54 0.00 0.00 174.62 175.57 2jk8 h LYS 191 N -0.97 1.15 -0.14 3.99 1.57 -1.74 -2.79 116.57 117.65 2jk8 h LYS 191 Ca -0.44 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.26 2jk8 h LYS 191 Cb 1.24 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 2jk8 h LYS 191 CO 0.51 0.76 0.06 1.49 -0.57 0.00 0.00 179.45 181.71 2jk8 h GLU 192 N 1.19 0.20 -0.33 3.15 4.57 -1.76 -1.29 114.58 120.30 2jk8 h GLU 192 Ca 0.40 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.57 2jk8 h GLU 192 Cb 0.08 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 2jk8 h GLU 192 CO -0.14 0.26 0.16 -0.09 -1.18 0.00 0.00 179.01 178.02 2jk8 h ARG 193 N 0.08 0.33 -0.95 1.92 2.43 -1.75 -0.74 114.38 115.71 2jk8 h ARG 193 Ca 0.05 -0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.31 2jk8 h ARG 193 Cb 0.13 -0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.53 2jk8 h ARG 193 CO -0.01 0.22 0.61 0.52 -1.51 0.00 0.00 179.97 179.80 2jk8 h MET 194 N 0.34 0.88 -0.19 0.20 2.86 -1.44 -1.57 114.93 116.02 2jk8 h MET 194 Ca 0.14 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 2jk8 h MET 194 Cb 0.05 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 2jk8 h MET 194 CO -0.10 0.59 0.00 1.98 1.06 0.00 0.00 176.91 180.44 2jk8 h MET 195 N 0.91 0.33 -0.72 1.72 1.85 0.05 -0.41 114.93 118.65 2jk8 h MET 195 Ca 0.46 -0.10 -0.02 0.00 -0.61 0.00 0.00 59.70 59.43 2jk8 h MET 195 Cb 0.51 -0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.47 2jk8 h MET 195 CO -0.23 0.53 0.39 0.28 -0.40 0.00 0.00 176.91 177.48 2jk8 h VAL 196 N 0.08 1.22 -0.18 -5.77 2.07 -1.15 -0.69 116.25 111.84 2jk8 h VAL 196 Ca 0.05 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2jk8 h VAL 196 Cb 0.39 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2jk8 h VAL 196 CO 0.01 0.25 0.04 0.00 0.02 0.00 0.00 177.57 177.89 2jk8 h ALA 197 N 1.19 0.23 0.46 1.67 0.00 -1.18 -2.19 119.26 119.45 2jk8 h ALA 197 Ca 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2jk8 h ALA 197 Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jk8 h ALA 197 CO -0.04 -0.12 -0.24 0.77 0.00 0.00 0.00 179.25 179.62 2jk8 h SER 198 N 0.09 -0.57 -0.92 0.00 0.02 -1.00 -2.99 113.55 108.18 2jk8 h SER 198 Ca 0.05 0.02 0.15 0.00 -0.84 0.00 0.00 61.79 61.18 2jk8 h SER 198 Cb 0.27 0.16 -0.09 0.00 0.14 0.00 0.00 62.40 62.87 2jk8 h SER 198 CO 0.00 -0.39 0.52 0.58 -1.14 0.00 0.00 176.83 176.40 2jk8 h VAL 199 N -0.64 0.77 -0.79 2.27 2.07 -1.15 -1.53 116.25 117.25 2jk8 h VAL 199 Ca -0.06 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 2jk8 h VAL 199 Cb 0.50 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 2jk8 h VAL 199 CO 0.09 0.14 0.43 0.00 0.02 0.00 0.00 177.57 178.24 2jk8 h ALA 200 N 1.57 1.01 -0.10 1.67 0.00 -1.34 -1.07 119.26 121.01 2jk8 h ALA 200 Ca 0.50 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 2jk8 h ALA 200 Cb 0.67 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2jk8 h ALA 200 CO -0.34 0.53 -0.33 0.28 0.00 0.00 0.00 179.25 179.39 2jk8 h VAL 201 N 1.10 1.39 0.00 0.00 2.07 -1.16 -1.06 116.25 118.59 2jk8 h VAL 201 Ca 0.28 -1.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.06 2jk8 h VAL 201 Cb 0.04 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2jk8 h VAL 201 CO -0.04 0.49 -0.36 0.00 0.02 0.00 0.00 177.57 177.67 2jk8 h ALA 202 N 0.48 1.15 0.00 1.67 0.00 -1.33 -1.47 119.26 119.76 2jk8 h ALA 202 Ca -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2jk8 h ALA 202 Cb 0.95 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 2jk8 h ALA 202 CO 0.07 0.45 -0.50 1.49 0.00 0.00 0.00 179.25 180.76 2jk8 h GLU 203 N 0.00 0.00 0.00 0.00 4.81 -1.22 -3.43 114.58 114.75 2jk8 h GLU 203 Ca -0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2jk8 h GLU 203 Cb 0.76 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 2jk8 h GLU 203 CO 0.05 0.09 -1.66 0.09 -0.73 0.00 0.00 179.01 176.85 2jk8 n ASN 204 N -4.62 0.37 -0.04 1.04 3.02 -0.42 -4.95 115.26 109.66 2jk8 n ASN 204 Ca -0.08 0.15 -0.01 0.00 -0.03 0.00 0.00 54.58 54.61 2jk8 n ASN 204 Cb 0.27 1.20 -0.00 0.00 -0.61 0.00 0.00 39.78 40.63 2jk8 n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jk8 n GLY 205 N 1.30 0.46 3.61 7.41 0.00 -0.55 -5.02 105.19 112.39 2jk8 n GLY 205 Ca -0.06 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 2jk8 n GLY 205 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jk8 s ASP 206 N -2.59 6.66 0.22 1.61 -1.08 -1.11 -4.90 116.67 115.48 2jk8 s ASP 206 Ca 0.00 0.62 0.23 0.00 -0.52 0.00 0.00 52.55 52.88 2jk8 s ASP 206 Cb 0.00 -2.42 0.18 0.00 -1.46 0.00 0.00 42.92 39.22 2jk8 s ASP 206 CO 0.00 -0.68 1.24 -0.07 0.52 0.00 0.00 175.17 176.18 2jk8 h LEU 207 N 9.62 0.00 -0.32 -1.34 3.38 -1.94 -3.24 115.31 121.47 2jk8 h LEU 207 Ca -0.24 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.74 2jk8 h LEU 207 Cb 1.09 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.77 2jk8 h LEU 207 CO 0.91 0.03 -0.18 -0.33 0.09 0.00 0.00 178.44 178.96 2jk8 h GLU 208 N 0.00 -0.13 -0.85 1.13 5.08 -1.97 -0.27 114.58 117.57 2jk8 h GLU 208 Ca 0.00 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.53 2jk8 h GLU 208 Cb 0.92 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.13 2jk8 h GLU 208 CO 0.00 -0.09 0.56 -1.35 -1.00 0.00 0.00 179.01 177.13 2jk8 h PRO 209 N -0.13 0.52 -0.13 2.33 0.11 -1.91 0.07 132.00 132.86 2jk8 h PRO 209 Ca 0.17 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.15 2jk8 h PRO 209 Cb 0.39 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.38 2jk8 h PRO 209 CO -0.41 0.35 -0.29 0.52 -0.21 0.00 0.00 178.00 177.96 2jk8 h MET 210 N 0.54 0.42 -0.64 1.05 2.86 -1.38 -1.48 114.93 116.30 2jk8 h MET 210 Ca 0.43 -0.28 0.03 0.00 -2.06 0.00 0.00 59.70 57.82 2jk8 h MET 210 Cb 0.87 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.54 2jk8 h MET 210 CO -0.18 0.89 0.42 1.96 1.06 0.00 0.00 176.91 181.07 2jk8 h GLN 211 N 0.01 0.75 -0.11 1.72 4.20 -0.45 0.24 115.11 121.47 2jk8 h GLN 211 Ca -0.00 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2jk8 h GLN 211 Cb 0.89 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 2jk8 h GLN 211 CO 0.06 0.50 0.02 1.25 -0.67 0.00 0.00 178.83 179.99 2jk8 h HIS 212 N 0.77 0.20 -0.86 2.96 2.76 -1.01 -2.20 115.15 117.77 2jk8 h HIS 212 Ca 0.25 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 2jk8 h HIS 212 Cb 0.06 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 28.92 2jk8 h HIS 212 CO -0.00 0.38 0.49 1.25 -1.30 0.00 0.00 177.93 178.75 2jk8 h LEU 213 N -0.04 1.05 -0.44 0.26 6.46 0.10 -2.06 115.31 120.65 2jk8 h LEU 213 Ca 0.03 -0.08 -0.17 0.00 -0.12 0.00 0.00 57.88 57.54 2jk8 h LEU 213 Cb 0.29 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 2jk8 h LEU 213 CO 0.00 0.83 -0.77 -0.26 -0.62 0.00 0.00 178.44 177.63 2jk8 h PHE 214 N 1.20 0.25 -0.30 1.25 0.04 -0.66 -3.11 116.94 115.61 2jk8 h PHE 214 Ca 0.31 -0.12 -0.04 0.00 2.80 0.00 0.00 57.97 60.91 2jk8 h PHE 214 Cb -0.00 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 2jk8 h PHE 214 CO 0.01 0.87 0.02 1.49 -0.60 0.00 0.00 178.31 180.10 2jk8 h GLU 215 N 0.11 0.52 0.00 1.51 4.57 -0.85 -2.19 114.58 118.25 2jk8 h GLU 215 Ca -0.03 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 57.95 2jk8 h GLU 215 Cb 1.35 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.88 2jk8 h GLU 215 CO 0.11 0.64 -0.24 -0.44 -1.18 0.00 0.00 179.01 177.91 2jk8 h ASP 216 N 0.32 0.00 0.38 1.04 5.19 -1.45 -1.16 116.42 120.74 2jk8 h ASP 216 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2jk8 h ASP 216 Cb 0.39 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.90 2jk8 h ASP 216 CO 0.01 0.24 -0.77 -0.38 -3.12 0.00 0.00 179.24 175.21 2jk8 n ILE 217 N -4.03 0.06 0.00 0.35 2.08 -1.16 -3.75 119.36 112.92 2jk8 n ILE 217 Ca -0.02 -0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.21 2jk8 n ILE 217 Cb 0.31 0.40 0.00 0.00 -0.75 0.00 0.00 39.64 39.59 2jk8 n ILE 217 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 2jk8 n SER 218 N -1.66 4.80 -4.64 4.38 3.41 -0.83 -2.79 113.62 116.30 2jk8 n SER 218 Ca 0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.22 2jk8 n SER 218 Cb 0.37 0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 64.86 2jk8 n SER 218 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2jk8 s ASN 219 N -2.75 6.58 0.36 4.04 3.84 -0.45 -4.69 114.94 121.87 2jk8 s ASN 219 Ca 0.00 1.63 0.05 0.00 0.21 0.00 0.00 52.86 54.75 2jk8 s ASN 219 Cb 0.00 -2.53 0.73 0.00 -0.55 0.00 0.00 41.25 38.89 2jk8 s ASN 219 CO 0.00 -1.09 1.98 -0.65 -2.79 0.00 0.00 177.10 174.55 2jk8 h PRO 220 N 9.83 0.74 -0.68 0.43 0.11 -1.92 -1.10 132.00 139.42 2jk8 h PRO 220 Ca -0.32 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2jk8 h PRO 220 Cb 1.14 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 2jk8 h PRO 220 CO 1.00 0.49 0.43 1.49 -0.21 0.00 0.00 178.00 181.20 2jk8 h GLU 221 N 0.76 0.91 0.00 1.05 4.57 -1.97 -2.62 114.58 117.29 2jk8 h GLU 221 Ca 0.28 -0.06 -0.17 0.00 -1.18 0.00 0.00 59.36 58.22 2jk8 h GLU 221 Cb 0.13 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 2jk8 h GLU 221 CO -0.08 0.62 -1.26 0.87 -1.18 0.00 0.00 179.01 177.97 2jk8 h LYS 222 N 0.93 0.00 -0.52 1.92 1.57 -1.60 -3.35 116.57 115.52 2jk8 h LYS 222 Ca 0.25 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.93 2jk8 h LYS 222 Cb -0.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2jk8 h LYS 222 CO -0.05 0.37 -0.05 0.82 -0.57 0.00 0.00 179.45 179.96 2jk8 h ILE 223 N 0.00 1.26 -0.55 1.86 2.04 -1.01 -2.80 117.51 118.31 2jk8 h ILE 223 Ca -0.14 -1.16 -0.04 0.00 1.00 0.00 0.00 64.86 64.53 2jk8 h ILE 223 Cb 1.59 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 2jk8 h ILE 223 CO 0.06 0.41 0.19 0.08 0.00 0.00 0.00 178.15 178.88 2jk8 h ARG 224 N 0.84 0.81 -0.59 2.37 0.11 -1.61 -0.89 114.38 115.43 2jk8 h ARG 224 Ca 0.15 -0.14 -0.07 0.00 0.10 0.00 0.00 59.98 60.02 2jk8 h ARG 224 Cb 0.57 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 31.49 2jk8 h ARG 224 CO 0.03 0.69 0.10 -0.07 0.10 0.00 0.00 179.97 180.83 2jk8 h LEU 225 N 0.80 0.92 -0.11 0.08 3.38 -1.65 -2.67 115.31 116.07 2jk8 h LEU 225 Ca 0.19 -0.26 -0.24 0.00 0.09 0.00 0.00 57.88 57.66 2jk8 h LEU 225 Cb 0.21 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.73 2jk8 h LEU 225 CO -0.01 0.95 -0.89 -0.07 0.09 0.00 0.00 178.44 178.50 2jk8 h LEU 226 N 0.87 0.90 -0.24 1.67 3.38 -1.30 -2.71 115.31 117.89 2jk8 h LEU 226 Ca 0.18 -0.65 0.06 0.00 0.09 0.00 0.00 57.88 57.56 2jk8 h LEU 226 Cb 0.41 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 2jk8 h LEU 226 CO 0.01 1.45 -0.22 0.11 0.09 0.00 0.00 178.44 179.88 2jk8 h LYS 227 N 0.46 -0.22 -0.58 1.13 1.57 -1.21 -0.64 116.57 117.08 2jk8 h LYS 227 Ca -0.08 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2jk8 h LYS 227 Cb 1.53 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.85 2jk8 h LYS 227 CO 0.18 -0.15 0.34 1.49 -0.57 0.00 0.00 179.45 180.74 2jk8 h GLU 228 N -0.23 0.65 -0.27 3.15 4.81 -1.51 -1.65 114.58 119.52 2jk8 h GLU 228 Ca 0.14 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2jk8 h GLU 228 Cb 0.44 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2jk8 h GLU 228 CO -0.37 0.43 0.05 0.35 -0.73 0.00 0.00 179.01 178.74 2jk8 h PHE 229 N 0.67 0.47 -0.08 0.92 3.57 -1.13 -2.80 116.94 118.57 2jk8 h PHE 229 Ca 0.24 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 2jk8 h PHE 229 Cb 0.06 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2jk8 h PHE 229 CO -0.07 0.54 -0.09 0.52 -2.23 0.00 0.00 178.31 176.98 2jk8 h MET 230 N 0.27 0.12 -0.75 1.11 2.86 -0.96 -2.51 114.93 115.06 2jk8 h MET 230 Ca 0.08 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2jk8 h MET 230 Cb 0.31 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 2jk8 h MET 230 CO 0.00 0.22 0.34 1.25 1.06 0.00 0.00 176.91 179.78 2jk8 h HIS 231 N 0.11 1.11 0.00 -0.22 -0.00 -1.05 -2.42 115.15 112.69 2jk8 h HIS 231 Ca 0.03 -0.07 -0.00 0.00 -0.00 0.00 0.00 60.37 60.33 2jk8 h HIS 231 Cb 0.24 -0.34 -0.00 0.00 -0.00 0.00 0.00 27.41 27.31 2jk8 h HIS 231 CO 0.00 0.83 -0.01 1.79 -0.00 0.00 0.00 177.93 180.55 2jk8 h THR 232 N 1.07 0.20 0.00 6.26 1.35 -1.22 -0.58 112.91 119.99 2jk8 h THR 232 Ca 0.26 -0.06 -0.18 0.00 -0.55 0.00 0.00 66.41 65.87 2jk8 h THR 232 Cb 0.16 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.61 2jk8 h THR 232 CO -0.03 0.01 -0.83 0.24 -0.25 0.00 0.00 175.52 174.66 2jk8 h MET 233 N 0.00 0.10 -6.18 4.72 2.86 -1.49 -3.44 114.93 111.50 2jk8 h MET 233 Ca -0.00 -0.10 -0.72 0.00 -2.06 0.00 0.00 59.70 56.81 2jk8 h MET 233 Cb 0.05 0.03 0.05 0.00 0.06 0.00 0.00 31.60 31.78 2jk8 h MET 233 CO 0.00 0.87 0.43 1.63 1.06 0.00 0.00 176.91 180.90 2jk8 n LYS 234 N -3.63 0.83 -1.09 1.72 4.01 -0.23 -0.89 118.16 118.90 2jk8 n LYS 234 Ca -0.02 0.30 -0.03 0.00 -0.51 0.00 0.00 58.31 58.05 2jk8 n LYS 234 Cb 0.79 -1.91 -0.01 0.00 -0.51 0.00 0.00 35.03 33.38 2jk8 n LYS 234 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2jk8 n ASN 235 N 2.69 -5.91 0.08 4.39 4.13 -1.26 -4.83 115.26 114.53 2jk8 n ASN 235 Ca 0.20 0.08 -0.08 0.00 1.68 0.00 0.00 54.58 56.46 2jk8 n ASN 235 Cb 0.15 -3.68 -0.08 0.00 -1.54 0.00 0.00 39.78 34.62 2jk8 n ASN 235 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 2jk8 h THR 236 N 0.00 1.63 0.00 3.41 1.35 -1.30 -3.47 112.91 114.53 2jk8 h THR 236 Ca -0.06 -3.16 0.00 0.00 -0.55 0.00 0.00 66.41 62.64 2jk8 h THR 236 Cb 1.05 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 70.23 2jk8 h THR 236 CO 0.09 0.91 0.00 0.61 -0.25 0.00 0.00 175.52 176.88 2jk8 n GLY 237 N 1.23 1.01 3.92 5.82 0.00 -1.26 -5.11 105.19 110.80 2jk8 n GLY 237 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 2jk8 n GLY 237 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jk8 s ARG 238 N -0.87 3.52 -0.20 1.61 1.81 -1.26 -5.09 118.95 118.47 2jk8 s ARG 238 Ca 0.00 -0.32 -0.01 0.00 -1.72 0.00 0.00 55.73 53.68 2jk8 s ARG 238 Cb 0.00 -2.91 0.05 0.00 -0.45 0.00 0.00 34.95 31.64 2jk8 s ARG 238 CO 0.00 0.49 -0.03 1.21 -0.68 0.00 0.00 175.30 176.29 2jk8 s ASN 239 N -2.76 3.21 0.00 0.23 2.47 -1.26 -4.97 114.94 111.86 2jk8 s ASN 239 Ca 0.38 -0.88 0.10 0.00 0.42 0.00 0.00 52.86 52.87 2jk8 s ASN 239 Cb -0.12 -0.93 0.12 0.00 -1.45 0.00 0.00 41.25 38.87 2jk8 s ASN 239 CO 0.27 -0.23 0.91 0.52 -3.72 0.00 0.00 177.10 174.85 2jk8 n VAL 240 N 4.84 0.22 0.24 -5.21 0.31 -1.26 -4.65 118.33 112.83 2jk8 n VAL 240 Ca -0.11 -0.61 0.09 0.00 -0.01 0.00 0.00 64.34 63.70 2jk8 n VAL 240 Cb 0.46 1.05 0.62 0.00 -0.91 0.00 0.00 33.84 35.07 2jk8 n VAL 240 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 2jk8 h ASN 241 N 1.92 0.00 -0.65 4.52 -1.24 -1.99 -1.18 115.58 116.96 2jk8 h ASN 241 Ca 0.00 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.83 2jk8 h ASN 241 Cb 0.48 0.00 -0.11 0.00 0.73 0.00 0.00 38.32 39.42 2jk8 h ASN 241 CO 0.00 0.15 0.23 0.47 -1.29 0.00 0.00 177.43 176.99 2jk8 n ASP 242 N -3.95 4.57 -4.01 1.15 8.00 -1.26 -1.99 116.55 119.05 2jk8 n ASP 242 Ca -0.02 -3.05 -0.19 0.00 0.71 0.00 0.00 54.79 52.23 2jk8 n ASP 242 Cb 0.24 -0.72 -0.15 0.00 -0.02 0.00 0.00 41.12 40.47 2jk8 n ASP 242 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2jk8 s ARG 243 N -2.68 0.82 -0.18 -1.24 1.81 -0.45 -4.80 118.95 112.23 2jk8 s ARG 243 Ca 0.49 -0.31 -0.29 0.00 -1.72 0.00 0.00 55.73 53.89 2jk8 s ARG 243 Cb 0.39 -0.79 -0.03 0.00 -0.45 0.00 0.00 34.95 34.07 2jk8 s ARG 243 CO 0.12 0.16 1.55 -2.14 -0.68 0.00 0.00 175.30 174.31 2jk8 s PRO 244 N -0.03 3.96 -0.24 3.54 0.02 -1.26 -4.57 135.00 136.42 2jk8 s PRO 244 Ca 0.01 1.76 -0.02 0.00 0.02 0.00 0.00 61.00 62.76 2jk8 s PRO 244 Cb -0.06 -3.97 0.02 0.00 0.02 0.00 0.00 34.50 30.51 2jk8 s PRO 244 CO -0.00 -1.08 -0.05 0.08 -0.33 0.00 0.00 177.00 175.61 2jk8 s VAL 245 N 4.60 3.04 0.14 3.83 1.01 -1.26 -0.62 120.40 131.13 2jk8 s VAL 245 Ca 0.68 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.82 2jk8 s VAL 245 Cb -0.26 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2jk8 s VAL 245 CO 0.26 0.25 -0.10 -0.04 0.00 0.00 0.00 175.10 175.47 2jk8 s MET 246 N 1.37 1.02 -0.02 2.72 -1.94 -0.04 -4.84 119.30 117.57 2jk8 s MET 246 Ca 0.02 -1.40 -0.17 0.00 -1.71 0.00 0.00 55.69 52.43 2jk8 s MET 246 Cb -0.16 -0.59 -0.05 0.00 2.01 0.00 0.00 34.83 36.03 2jk8 s MET 246 CO -0.04 0.07 0.47 0.08 -0.01 0.00 0.00 175.02 175.59 2jk8 s VAL 247 N -3.18 5.01 0.14 -6.03 1.01 -1.26 0.90 120.40 116.99 2jk8 s VAL 247 Ca 0.15 0.97 -0.33 0.00 0.00 0.00 0.00 61.98 62.77 2jk8 s VAL 247 Cb 0.02 -3.79 -0.12 0.00 0.00 0.00 0.00 36.38 32.48 2jk8 s VAL 247 CO 0.00 0.49 1.72 0.00 0.00 0.00 0.00 175.10 177.32 2jk8 n ALA 248 N 2.40 1.99 -1.77 5.51 0.00 0.50 -4.82 120.51 124.31 2jk8 n ALA 248 Ca -0.11 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.31 2jk8 n ALA 248 Cb 0.52 -2.48 -0.00 0.00 0.00 0.00 0.00 19.45 17.48 2jk8 n ALA 248 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2jk8 s LYS 249 N 1.80 4.09 0.02 0.00 1.02 -1.26 -4.96 119.74 120.45 2jk8 s LYS 249 Ca 0.80 2.36 -0.30 0.00 0.02 0.00 0.00 55.97 58.85 2jk8 s LYS 249 Cb -0.57 -2.91 -0.06 0.00 -0.52 0.00 0.00 37.83 33.77 2jk8 s LYS 249 CO 0.37 -0.47 1.47 -1.21 -0.92 0.00 0.00 175.35 174.60 2jk8 s GLU 250 N -2.09 4.26 0.00 1.68 8.01 -1.26 -2.83 118.70 126.47 2jk8 s GLU 250 Ca 0.54 2.07 0.00 0.00 0.01 0.00 0.00 54.97 57.59 2jk8 s GLU 250 Cb -0.42 -3.58 0.00 0.00 -4.31 0.00 0.00 34.13 25.82 2jk8 s GLU 250 CO 0.56 -0.62 0.00 0.41 0.01 0.00 0.00 175.26 175.62 2jk8 n GLY 251 N 3.74 2.96 3.84 -1.39 0.00 -0.37 -5.00 105.19 108.97 2jk8 n GLY 251 Ca 0.14 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 2jk8 n GLY 251 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jk8 s GLU 252 N 0.00 3.26 -0.15 1.61 2.02 -1.13 -4.67 118.70 119.63 2jk8 s GLU 252 Ca 0.00 0.89 0.01 0.00 0.02 0.00 0.00 54.97 55.89 2jk8 s GLU 252 Cb 0.00 -2.03 0.02 0.00 0.10 0.00 0.00 34.13 32.22 2jk8 s GLU 252 CO 0.00 -0.84 -0.18 0.99 0.02 0.00 0.00 175.26 175.25 2jk8 s THR 253 N -3.04 1.82 0.12 3.63 2.01 -1.26 -2.48 115.64 116.44 2jk8 s THR 253 Ca 0.57 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.83 2jk8 s THR 253 Cb -0.13 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 2jk8 s THR 253 CO 0.52 0.50 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.61 2jk8 s TYR 254 N 1.23 2.86 -0.07 4.92 2.02 -0.11 -4.98 117.35 123.21 2jk8 s TYR 254 Ca 0.01 -0.10 -0.03 0.00 -0.37 0.00 0.00 57.07 56.58 2jk8 s TYR 254 Cb -0.14 -1.46 0.04 0.00 -0.40 0.00 0.00 41.96 40.01 2jk8 s TYR 254 CO -0.09 0.47 0.15 -0.08 -1.57 0.00 0.00 175.55 174.44 2jk8 s THR 255 N -1.39 -0.13 0.00 -0.71 -1.32 -1.26 -1.21 115.64 109.63 2jk8 s THR 255 Ca 0.25 0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.97 2jk8 s THR 255 Cb -0.11 -0.27 0.00 0.00 -1.51 0.00 0.00 72.50 70.62 2jk8 s THR 255 CO 0.17 0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.29 2jk8 n GLY 256 N 4.60 1.25 3.65 6.08 0.00 -1.17 -4.77 105.19 114.83 2jk8 n GLY 256 Ca -0.19 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 2jk8 n GLY 256 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jk8 s THR 257 N -1.26 3.83 -0.04 2.61 -4.23 -0.78 -2.12 115.64 113.66 2jk8 s THR 257 Ca 0.00 -0.97 -0.28 0.00 -1.18 0.00 0.00 61.69 59.25 2jk8 s THR 257 Cb 0.00 -2.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.03 2jk8 s THR 257 CO 0.00 0.19 0.91 -0.47 -0.54 0.00 0.00 174.62 174.71 2jk8 s TYR 258 N -1.22 3.61 -1.66 3.99 5.04 -1.00 -0.71 117.35 125.41 2jk8 s TYR 258 Ca 0.23 1.56 0.16 0.00 -2.44 0.00 0.00 57.07 56.58 2jk8 s TYR 258 Cb -0.11 -3.05 0.31 0.00 0.35 0.00 0.00 41.96 39.45 2jk8 s TYR 258 CO 0.15 -0.03 1.22 0.54 -1.34 0.00 0.00 175.55 176.09 2jk8 n ARG 259 N 4.08 2.13 0.00 4.97 5.12 0.12 -0.29 116.66 132.80 2jk8 n ARG 259 Ca 0.05 -1.94 0.00 0.00 -1.93 0.00 0.00 57.85 54.03 2jk8 n ARG 259 Cb 0.51 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.45 2jk8 n ARG 259 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jk8 n GLY 260 N 0.96 2.43 3.92 -0.13 0.00 -1.24 -4.82 105.19 106.31 2jk8 n GLY 260 Ca 0.14 -1.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.05 2jk8 n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jk8 s ALA 261 N -2.71 4.40 0.00 4.61 0.00 -1.26 -1.81 121.76 124.99 2jk8 s ALA 261 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.39 2jk8 s ALA 261 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.20 2jk8 s ALA 261 CO 0.00 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.70 2jk8 n GLY 262 N -1.80 5.44 0.12 0.00 0.00 0.19 -4.93 105.19 104.21 2jk8 n GLY 262 Ca 0.03 -1.15 -0.03 0.00 0.00 0.00 0.00 46.02 44.87 2jk8 n GLY 262 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jk8 h LEU 263 N 0.00 -0.18 0.11 0.99 3.38 -2.01 -3.41 115.31 114.20 2jk8 h LEU 263 Ca 0.00 0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.69 2jk8 h LEU 263 Cb 0.00 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2jk8 h LEU 263 CO 0.00 0.23 -1.41 -0.33 0.09 0.00 0.00 178.44 177.02 2jk8 h GLU 264 N -0.93 0.24 -3.70 1.13 5.08 -1.97 -3.45 114.58 110.99 2jk8 h GLU 264 Ca -0.02 -0.41 -0.16 0.00 -1.00 0.00 0.00 59.36 57.77 2jk8 h GLU 264 Cb 0.16 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 2jk8 h GLU 264 CO 0.04 1.13 -0.04 0.20 -1.00 0.00 0.00 179.01 179.34 2jk8 s GLY 265 N -4.84 0.98 0.42 -3.84 0.00 -1.26 -0.75 107.32 98.03 2jk8 s GLY 265 Ca -0.07 -1.17 0.04 0.00 0.00 0.00 0.00 44.72 43.52 2jk8 s GLY 265 CO 0.86 -0.72 0.13 -0.11 0.00 0.00 0.00 173.10 173.26 2jk8 s PHE 266 N -3.02 1.79 -0.02 1.90 -0.12 -0.53 -0.63 117.98 117.34 2jk8 s PHE 266 Ca 0.24 -1.29 0.02 0.00 -0.05 0.00 0.00 56.93 55.85 2jk8 s PHE 266 Cb -0.02 -1.17 0.00 0.00 -0.63 0.00 0.00 43.02 41.21 2jk8 s PHE 266 CO 0.16 -0.30 -0.06 0.00 -0.05 0.00 0.00 175.22 174.97 2jk8 s ALA 267 N -3.19 0.57 0.26 1.99 0.00 -0.75 -2.38 121.76 118.25 2jk8 s ALA 267 Ca 0.23 -0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.08 2jk8 s ALA 267 Cb 0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 2jk8 s ALA 267 CO 0.14 0.08 0.09 -0.51 0.00 0.00 0.00 175.76 175.56 2jk8 s LEU 268 N 0.22 3.48 -0.24 0.00 1.43 -0.08 -0.70 118.68 122.78 2jk8 s LEU 268 Ca -0.02 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 2jk8 s LEU 268 Cb -0.07 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.16 2jk8 s LEU 268 CO -0.00 -0.01 -0.05 0.21 0.23 0.00 0.00 176.35 176.73 2jk8 s ASN 269 N -3.73 4.32 -0.43 2.29 2.47 0.11 -2.36 114.94 117.61 2jk8 s ASN 269 Ca 0.32 -0.69 0.04 0.00 0.42 0.00 0.00 52.86 52.94 2jk8 s ASN 269 Cb -0.07 -1.70 0.12 0.00 -1.45 0.00 0.00 41.25 38.15 2jk8 s ASN 269 CO 0.22 -0.09 0.16 -0.69 -3.72 0.00 0.00 177.10 172.98 2jk8 s VAL 270 N 1.39 2.26 -1.29 -5.21 1.01 -0.91 -1.86 120.40 115.79 2jk8 s VAL 270 Ca 0.02 -2.76 -0.17 0.00 0.00 0.00 0.00 61.98 59.07 2jk8 s VAL 270 Cb -0.16 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.62 2jk8 s VAL 270 CO -0.04 -0.72 0.55 0.29 0.00 0.00 0.00 175.10 175.18 2jk8 n LYS 271 N 3.70 -1.34 0.00 2.72 5.02 -1.26 -2.55 118.16 124.45 2jk8 n LYS 271 Ca 0.04 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 2jk8 n LYS 271 Cb 0.37 -3.62 0.00 0.00 -0.02 0.00 0.00 35.03 31.76 2jk8 n LYS 271 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jk8 n GLY 272 N -2.02 3.06 3.85 0.72 0.00 -1.26 -5.03 105.19 104.51 2jk8 n GLY 272 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2jk8 n GLY 272 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jk8 s ALA 273 N -2.40 3.04 -0.35 4.61 0.00 -1.06 -4.68 121.76 120.93 2jk8 s ALA 273 Ca 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.97 2jk8 s ALA 273 Cb 0.00 -3.11 0.05 0.00 0.00 0.00 0.00 23.12 20.06 2jk8 s ALA 273 CO 0.00 -0.52 0.11 0.71 0.00 0.00 0.00 175.76 176.06 2jk8 s TYR 274 N -2.89 3.30 -0.20 0.00 2.02 0.20 -2.13 117.35 117.65 2jk8 s TYR 274 Ca 0.57 -1.64 -0.11 0.00 -0.37 0.00 0.00 57.07 55.52 2jk8 s TYR 274 Cb -0.11 -2.41 -0.05 0.00 -0.40 0.00 0.00 41.96 38.99 2jk8 s TYR 274 CO 0.43 -0.78 0.20 0.42 -1.57 0.00 0.00 175.55 174.24 2jk8 s ILE 275 N 1.35 5.36 -0.10 2.71 -1.09 -1.00 -0.86 121.20 127.57 2jk8 s ILE 275 Ca -0.01 0.31 -0.03 0.00 -2.23 0.00 0.00 60.65 58.69 2jk8 s ILE 275 Cb -0.20 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 2jk8 s ILE 275 CO 0.01 0.39 0.02 -0.63 -1.23 0.00 0.00 174.94 173.50 2jk8 s ILE 276 N 0.65 4.47 0.09 2.92 1.01 0.26 -0.91 121.20 129.69 2jk8 s ILE 276 Ca 0.11 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.61 2jk8 s ILE 276 Cb -0.12 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 2jk8 s ILE 276 CO 0.02 0.59 -0.09 -0.83 0.00 0.00 0.00 174.94 174.62 2jk8 s GLY 277 N -0.71 0.78 0.17 6.18 0.00 -1.00 -0.37 107.32 112.37 2jk8 s GLY 277 Ca 0.11 -1.15 -0.30 0.00 0.00 0.00 0.00 44.72 43.38 2jk8 s GLY 277 CO 0.02 -1.23 1.23 0.21 0.00 0.00 0.00 173.10 173.33 2jk8 s ASN 278 N -2.41 7.04 0.53 1.64 3.04 -1.26 -1.46 114.94 122.06 2jk8 s ASN 278 Ca 0.04 2.25 0.28 0.00 0.04 0.00 0.00 52.86 55.46 2jk8 s ASN 278 Cb -0.03 -2.60 1.51 0.00 -1.54 0.00 0.00 41.25 38.59 2jk8 s ASN 278 CO -0.01 -0.43 2.11 -0.29 -3.04 0.00 0.00 177.10 175.44 2jk8 h ILE 279 N 3.86 0.57 0.00 -5.21 2.10 -1.25 -1.77 117.51 115.81 2jk8 h ILE 279 Ca -0.44 -0.43 -0.04 0.00 1.08 0.00 0.00 64.86 65.03 2jk8 h ILE 279 Cb 1.21 1.28 -0.01 0.00 -1.09 0.00 0.00 36.82 38.22 2jk8 h ILE 279 CO 0.76 0.10 -0.18 0.44 -1.08 0.00 0.00 178.15 178.19 2jk8 h ASP 280 N 0.00 0.00 0.77 2.19 3.32 -1.92 -3.18 116.42 117.60 2jk8 h ASP 280 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jk8 h ASP 280 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2jk8 h ASP 280 CO 0.01 0.18 0.00 1.41 -1.72 0.00 0.00 179.24 179.12 2jk8 n HIS 281 N -3.25 0.00 -2.53 4.55 8.25 -0.66 -4.78 115.22 116.80 2jk8 n HIS 281 Ca 0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.14 2jk8 n HIS 281 Cb 0.46 -0.43 -0.04 0.00 1.12 0.00 0.00 29.99 31.10 2jk8 n HIS 281 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2jk8 s LEU 282 N -2.85 3.77 0.08 2.41 1.43 -1.20 -4.95 118.68 117.36 2jk8 s LEU 282 Ca 0.17 1.73 -0.31 0.00 -1.03 0.00 0.00 54.13 54.69 2jk8 s LEU 282 Cb 0.18 -4.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.78 2jk8 s LEU 282 CO 0.46 -0.63 1.59 -2.84 0.23 0.00 0.00 176.35 175.16 2jk8 s PRO 283 N -3.57 4.22 0.56 1.29 0.02 -1.26 -4.90 135.00 131.36 2jk8 s PRO 283 Ca 0.63 2.27 0.40 0.00 0.02 0.00 0.00 61.00 64.31 2jk8 s PRO 283 Cb -0.12 -3.49 1.54 0.00 0.02 0.00 0.00 34.50 32.45 2jk8 s PRO 283 CO 0.23 -0.67 1.68 -1.35 -0.33 0.00 0.00 177.00 176.56 2jk8 h PRO 284 N 7.89 0.00 0.10 5.54 0.11 -1.94 -0.53 132.00 143.17 2jk8 h PRO 284 Ca -0.42 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.42 2jk8 h PRO 284 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2jk8 h PRO 284 CO 0.92 0.00 -1.25 0.93 -0.21 0.00 0.00 178.00 178.38 2jk8 h GLU 285 N 0.00 0.22 0.00 1.05 5.08 -2.02 -3.34 114.58 115.56 2jk8 h GLU 285 Ca 0.65 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2jk8 h GLU 285 Cb 2.75 0.14 0.00 0.00 0.50 0.00 0.00 28.75 32.14 2jk8 h GLU 285 CO -0.01 1.15 -0.00 1.96 -1.00 0.00 0.00 179.01 181.12 2jk8 h GLN 286 N 0.06 -0.00 -1.06 2.33 4.20 -1.47 -3.18 115.11 115.99 2jk8 h GLN 286 Ca -0.13 0.00 0.31 0.00 0.06 0.00 0.00 58.65 58.89 2jk8 h GLN 286 Cb 1.95 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 29.60 2jk8 h GLN 286 CO 0.18 0.24 0.64 1.25 -0.67 0.00 0.00 178.83 180.47 2jk8 h LEU 287 N -0.24 0.50 0.36 1.46 6.46 -1.65 -1.72 115.31 120.48 2jk8 h LEU 287 Ca -0.00 0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 2jk8 h LEU 287 Cb 0.24 0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2jk8 h LEU 287 CO 0.00 -0.03 -0.22 0.11 -0.62 0.00 0.00 178.44 177.68 2jk8 h LYS 288 N 0.37 -0.53 -2.49 1.25 1.57 -1.67 -3.27 116.57 111.80 2jk8 h LYS 288 Ca 0.69 0.04 -0.73 0.00 -1.87 0.00 0.00 60.65 58.78 2jk8 h LYS 288 Cb 1.66 0.12 -0.33 0.00 0.08 0.00 0.00 32.23 33.76 2jk8 h LYS 288 CO -0.47 -0.35 0.35 -0.89 -0.57 0.00 0.00 179.45 177.51 2jk8 n ILE 289 N -5.35 4.59 -3.60 1.86 5.41 -0.66 -4.93 119.36 116.69 2jk8 n ILE 289 Ca -0.10 -5.75 -0.29 0.00 1.00 0.00 0.00 62.75 57.60 2jk8 n ILE 289 Cb 0.25 -1.83 -0.14 0.00 -0.71 0.00 0.00 39.64 37.21 2jk8 n ILE 289 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2jk8 s LEU 290 N -3.26 1.27 0.33 1.39 2.96 -1.15 -4.96 118.68 115.26 2jk8 s LEU 290 Ca 0.38 -1.63 -0.05 0.00 -0.22 0.00 0.00 54.13 52.61 2jk8 s LEU 290 Cb 0.14 -0.56 -0.05 0.00 0.50 0.00 0.00 46.19 46.23 2jk8 s LEU 290 CO -0.02 -0.40 0.61 -0.54 -1.32 0.00 0.00 176.35 174.68 2jk8 s LYS 291 N 1.67 3.63 -0.17 1.98 1.02 -1.26 -5.00 119.74 121.61 2jk8 s LYS 291 Ca 0.11 0.06 -0.29 0.00 0.02 0.00 0.00 55.97 55.87 2jk8 s LYS 291 Cb -0.18 -2.58 -0.06 0.00 -0.52 0.00 0.00 37.83 34.49 2jk8 s LYS 291 CO -0.25 0.12 2.18 -2.30 -0.92 0.00 0.00 175.35 174.18 2jk8 n PRO 292 N -1.23 2.10 0.00 -1.68 -0.02 -1.26 -2.33 135.00 130.58 2jk8 n PRO 292 Ca -0.01 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2jk8 n PRO 292 Cb 0.54 -3.17 0.00 0.00 -0.02 0.00 0.00 33.50 30.85 2jk8 n PRO 292 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jk8 n GLY 293 N 5.56 2.99 3.60 -1.23 0.00 0.61 -4.93 105.19 111.79 2jk8 n GLY 293 Ca 0.28 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 2jk8 n GLY 293 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jk8 n ASP 294 N 0.00 1.35 -4.55 1.61 8.00 -0.98 -3.97 116.55 118.00 2jk8 n ASP 294 Ca 0.00 1.11 -0.40 0.00 0.71 0.00 0.00 54.79 56.21 2jk8 n ASP 294 Cb 0.00 -1.33 -0.03 0.00 -0.02 0.00 0.00 41.12 39.74 2jk8 n ASP 294 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2jk8 s LYS 295 N -1.77 3.11 -0.13 -1.24 1.02 -1.26 -2.37 119.74 117.10 2jk8 s LYS 295 Ca 0.60 -0.17 0.03 0.00 0.02 0.00 0.00 55.97 56.45 2jk8 s LYS 295 Cb -0.62 -4.36 0.01 0.00 -0.52 0.00 0.00 37.83 32.34 2jk8 s LYS 295 CO 0.59 -2.29 -0.22 0.96 -0.92 0.00 0.00 175.35 173.46 2jk8 s ILE 296 N 6.39 2.05 -0.03 2.17 -4.36 -0.90 -5.00 121.20 121.52 2jk8 s ILE 296 Ca 0.43 -0.98 -0.18 0.00 -0.26 0.00 0.00 60.65 59.66 2jk8 s ILE 296 Cb -0.08 -1.80 -0.05 0.00 1.25 0.00 0.00 42.46 41.78 2jk8 s ILE 296 CO 0.13 0.55 0.49 -0.89 0.24 0.00 0.00 174.94 175.47 2jk8 s THR 297 N 0.71 5.01 -0.01 8.37 2.01 -1.26 -3.05 115.64 127.42 2jk8 s THR 297 Ca -0.10 1.02 0.01 0.00 0.31 0.00 0.00 61.69 62.93 2jk8 s THR 297 Cb -0.16 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.53 2jk8 s THR 297 CO 0.01 0.46 -0.04 0.12 -0.69 0.00 0.00 174.62 174.48 2jk8 s PHE 298 N -0.34 0.44 -0.12 4.92 5.36 -0.35 -5.02 117.98 122.86 2jk8 s PHE 298 Ca 0.27 -0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.16 2jk8 s PHE 298 Cb -0.17 -0.33 0.02 0.00 -0.34 0.00 0.00 43.02 42.20 2jk8 s PHE 298 CO 0.14 -0.04 -0.12 0.99 -1.46 0.00 0.00 175.22 174.73 2jk8 s THR 299 N 0.15 1.35 0.14 0.12 2.01 -1.26 -0.94 115.64 117.21 2jk8 s THR 299 Ca -0.01 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 2jk8 s THR 299 Cb -0.05 -1.29 -0.07 0.00 0.01 0.00 0.00 72.50 71.11 2jk8 s THR 299 CO -0.00 0.42 1.10 0.00 -0.69 0.00 0.00 174.62 175.45 2jk8 s ALA 300 N 1.43 3.35 0.84 7.40 0.00 -1.03 -4.98 121.76 128.77 2jk8 s ALA 300 Ca 0.02 0.79 -0.07 0.00 0.00 0.00 0.00 51.96 52.70 2jk8 s ALA 300 Cb -0.13 -3.36 0.13 0.00 0.00 0.00 0.00 23.12 19.75 2jk8 s ALA 300 CO -0.07 -0.24 0.81 -0.35 0.00 0.00 0.00 175.76 175.90 2jk8 n PRO 301 N 2.79 -0.46 0.00 0.00 -0.04 -1.26 -1.23 135.00 134.80 2jk8 n PRO 301 Ca 0.04 -1.58 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 2jk8 n PRO 301 Cb 0.47 -0.72 0.00 0.00 -0.04 0.00 0.00 33.50 33.20 2jk8 n PRO 301 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09