#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jk8 h ILE 13 N 0.00 0.33 -3.10 -3.67 2.04 -2.06 -3.36 117.51 107.70 2jk8 h ILE 13 Ca 0.00 0.00 -0.70 0.00 1.00 0.00 0.00 64.86 65.16 2jk8 h ILE 13 Cb 0.00 0.33 -0.20 0.00 -0.74 0.00 0.00 36.82 36.22 2jk8 h ILE 13 CO 0.00 0.00 0.01 -0.63 0.00 0.00 0.00 178.15 177.53 2jk8 s ILE 14 N -6.03 4.92 0.04 -0.67 1.01 -1.26 -4.18 121.20 115.03 2jk8 s ILE 14 Ca -0.17 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 59.66 2jk8 s ILE 14 Cb 0.05 -4.36 -0.02 0.00 0.01 0.00 0.00 42.46 38.14 2jk8 s ILE 14 CO 0.63 -0.92 -0.13 -0.55 0.00 0.00 0.00 174.94 173.98 2jk8 s SER 15 N 3.15 1.47 0.48 3.58 0.15 -1.05 -4.83 113.70 116.66 2jk8 s SER 15 Ca 0.11 -0.44 0.14 0.00 0.70 0.00 0.00 55.95 56.47 2jk8 s SER 15 Cb -0.23 -0.09 1.12 0.00 -1.71 0.00 0.00 66.02 65.11 2jk8 s SER 15 CO 0.08 0.01 2.08 -0.65 1.20 0.00 0.00 173.24 175.96 2jk8 h PRO 16 N 4.98 0.08 0.00 5.44 0.11 -1.88 -2.76 132.00 137.98 2jk8 h PRO 16 Ca -0.37 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 2jk8 h PRO 16 Cb 1.18 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2jk8 h PRO 16 CO 0.44 0.11 -0.00 1.12 -0.21 0.00 0.00 178.00 179.46 2jk8 h HIS 17 N 0.08 0.00 0.00 0.65 2.07 -1.95 -1.72 115.15 114.28 2jk8 h HIS 17 Ca 0.02 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 2jk8 h HIS 17 Cb 0.10 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.08 2jk8 h HIS 17 CO 0.00 0.00 0.00 0.72 -3.07 0.00 0.00 177.93 175.58 2jk8 n HIS 18 N -3.16 0.00 0.17 6.12 8.25 -1.04 -2.79 115.22 122.77 2jk8 n HIS 18 Ca -0.03 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.50 2jk8 n HIS 18 Cb 0.10 -0.06 0.10 0.00 1.12 0.00 0.00 29.99 31.25 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 0.00 0.00 -3.39 4.41 0.05 -1.51 -3.44 116.97 113.09 2jk8 h TYR 19 Ca 0.00 0.00 -0.66 0.00 0.05 0.00 0.00 58.73 58.12 2jk8 h TYR 19 Cb 0.05 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 37.60 2jk8 h TYR 19 CO 0.00 0.30 -0.82 0.54 -1.05 0.00 0.00 178.16 177.12 2jk8 s VAL 20 N -3.09 2.45 0.34 -2.88 0.11 -1.12 -1.15 120.40 115.07 2jk8 s VAL 20 Ca 0.05 -1.89 -0.29 0.00 -2.93 0.00 0.00 61.98 56.93 2jk8 s VAL 20 Cb 0.07 -2.16 -0.10 0.00 -1.53 0.00 0.00 36.38 32.66 2jk8 s VAL 20 CO 0.71 -0.05 1.34 -0.31 -3.33 0.00 0.00 175.10 173.46 2jk8 s TYR 21 N -1.48 2.96 0.45 1.54 2.02 -0.87 -4.80 117.35 117.17 2jk8 s TYR 21 Ca 0.19 1.37 -0.25 0.00 -0.37 0.00 0.00 57.07 58.01 2jk8 s TYR 21 Cb -0.09 -3.75 -0.09 0.00 -0.40 0.00 0.00 41.96 37.64 2jk8 s TYR 21 CO 0.09 -2.08 1.28 -2.30 -1.57 0.00 0.00 175.55 170.97 2jk8 n PRO 22 N 0.74 1.87 -0.64 -1.71 -0.02 -1.26 -2.00 135.00 131.97 2jk8 n PRO 22 Ca 0.00 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2jk8 n PRO 22 Cb 0.41 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 -0.02 0.00 -4.60 2.55 3.02 -1.26 -4.96 115.26 109.99 2jk8 n ASN 23 Ca 0.07 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.34 2jk8 n ASN 23 Cb 0.41 -1.71 -0.10 0.00 -0.61 0.00 0.00 39.78 37.77 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 -1.93 1.49 -1.45 3.41 -4.23 -0.85 -5.03 115.64 107.05 2jk8 s THR 24 Ca 0.00 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.66 2jk8 s THR 24 Cb 0.00 -2.65 0.34 0.00 1.34 0.00 0.00 72.50 71.53 2jk8 s THR 24 CO 0.00 0.00 1.25 0.35 -0.54 0.00 0.00 174.62 175.68 2jk8 n THR 25 N -1.02 0.72 -3.78 3.99 -2.24 -1.26 -4.66 114.28 106.04 2jk8 n THR 25 Ca -0.09 -0.86 -0.36 0.00 -2.27 0.00 0.00 64.05 60.47 2jk8 n THR 25 Cb 0.67 0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 69.53 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 -1.08 5.05 0.63 4.28 -4.23 -1.26 -4.97 115.64 114.05 2jk8 s THR 26 Ca 0.28 0.07 -0.18 0.00 -1.18 0.00 0.00 61.69 60.68 2jk8 s THR 26 Cb 0.15 -3.33 -0.03 0.00 1.34 0.00 0.00 72.50 70.63 2jk8 s THR 26 CO 0.21 0.38 1.04 0.18 -0.54 0.00 0.00 174.62 175.88 2jk8 n LEU 27 N 4.15 4.29 -4.75 4.79 4.77 -1.26 -2.05 117.00 126.94 2jk8 n LEU 27 Ca -0.16 0.79 -0.41 0.00 -0.03 0.00 0.00 56.01 56.21 2jk8 n LEU 27 Cb 0.52 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.15 2jk8 n LEU 27 CO 0.35 -1.69 0.97 -0.54 -1.33 0.00 0.00 177.39 175.15 2jk8 s LYS 28 N -2.96 4.40 0.06 3.23 1.02 -0.30 -4.69 119.74 120.51 2jk8 s LYS 28 Ca 0.78 2.09 0.00 0.00 0.02 0.00 0.00 55.97 58.86 2jk8 s LYS 28 Cb -0.40 -3.16 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 2jk8 s LYS 28 CO 0.45 -0.20 -0.05 0.54 -0.92 0.00 0.00 175.35 175.17 2jk8 s ASN 29 N 0.00 0.71 0.02 2.83 2.20 -1.26 -4.80 114.94 114.64 2jk8 s ASN 29 Ca 0.54 -0.92 0.11 0.00 -0.94 0.00 0.00 52.86 51.65 2jk8 s ASN 29 Cb -0.37 0.14 0.49 0.00 -2.00 0.00 0.00 41.25 39.51 2jk8 s ASN 29 CO 0.43 -0.50 1.36 0.29 -2.94 0.00 0.00 177.10 175.74 2jk8 n LYS 30 N 0.31 0.01 0.08 3.55 5.02 0.91 -2.15 118.16 125.88 2jk8 n LYS 30 Ca -0.15 0.33 0.12 0.00 -2.02 0.00 0.00 58.31 56.59 2jk8 n LYS 30 Cb 0.60 -1.53 0.13 0.00 -0.02 0.00 0.00 35.03 34.21 2jk8 n LYS 30 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2jk8 h TYR 31 N 0.00 0.00 -0.12 2.13 0.05 -1.82 -3.48 116.97 113.73 2jk8 h TYR 31 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 2jk8 h TYR 31 Cb 0.19 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.90 2jk8 h TYR 31 CO 0.00 0.00 -0.05 0.41 -1.05 0.00 0.00 178.16 177.47 2jk8 n GLY 32 N 1.30 0.50 3.68 3.88 0.00 -0.91 -5.00 105.19 108.63 2jk8 n GLY 32 Ca 0.03 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.77 4.58 -0.27 -0.61 1.01 -1.26 -4.94 121.20 117.94 2jk8 s ILE 33 Ca 0.00 1.88 0.22 0.00 0.00 0.00 0.00 60.65 62.74 2jk8 s ILE 33 Cb 0.00 -4.21 -0.29 0.00 0.01 0.00 0.00 42.46 37.97 2jk8 s ILE 33 CO 0.00 -0.03 0.62 0.29 0.00 0.00 0.00 174.94 175.82 2jk8 n LYS 34 N 5.37 0.50 -2.47 2.79 5.02 -1.26 -4.78 118.16 123.34 2jk8 n LYS 34 Ca 0.10 -0.13 -0.43 0.00 -2.02 0.00 0.00 58.31 55.83 2jk8 n LYS 34 Cb 0.47 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 33.93 2jk8 n LYS 34 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2jk8 s ASN 35 N -4.22 6.94 0.17 4.39 3.84 -1.26 -4.76 114.94 120.04 2jk8 s ASN 35 Ca -0.04 1.58 -0.15 0.00 0.21 0.00 0.00 52.86 54.46 2jk8 s ASN 35 Cb 0.14 -2.54 0.13 0.00 -0.55 0.00 0.00 41.25 38.43 2jk8 s ASN 35 CO 0.89 -0.78 1.72 0.25 -2.79 0.00 0.00 177.10 176.39 2jk8 h LEU 36 N 9.81 0.01 -0.70 3.21 5.85 -1.98 -1.00 115.31 130.52 2jk8 h LEU 36 Ca -0.25 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 2jk8 h LEU 36 Cb 1.09 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 2jk8 h LEU 36 CO 0.98 0.04 0.19 0.78 -0.34 0.00 0.00 178.44 180.09 2jk8 h ASN 37 N 0.22 1.04 -0.35 1.25 2.35 -1.99 -1.44 115.58 116.67 2jk8 h ASN 37 Ca 0.21 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 2jk8 h ASN 37 Cb 0.26 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2jk8 h ASN 37 CO -0.27 1.00 -0.11 0.00 -1.65 0.00 0.00 177.43 176.40 2jk8 h ALA 38 N 1.09 0.48 -0.49 -0.83 0.00 -1.82 -2.51 119.26 115.18 2jk8 h ALA 38 Ca 0.22 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2jk8 h ALA 38 Cb 0.35 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2jk8 h ALA 38 CO -0.00 0.35 0.31 0.35 0.00 0.00 0.00 179.25 180.26 2jk8 h PHE 39 N 0.48 0.59 0.00 0.00 3.57 -1.10 -2.43 116.94 118.05 2jk8 h PHE 39 Ca 0.09 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 2jk8 h PHE 39 Cb 0.62 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2jk8 h PHE 39 CO 0.05 0.36 -0.36 -0.07 -2.23 0.00 0.00 178.31 176.07 2jk8 h LEU 40 N 0.63 0.00 -0.14 0.59 3.38 -1.13 0.70 115.31 119.33 2jk8 h LEU 40 Ca 0.18 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 2jk8 h LEU 40 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2jk8 h LEU 40 CO -0.06 0.36 -0.43 -0.33 0.09 0.00 0.00 178.44 178.07 2jk8 h GLU 41 N 0.00 0.54 -0.43 1.13 5.08 -1.36 -1.66 114.58 117.88 2jk8 h GLU 41 Ca -0.00 -0.39 -0.08 0.00 -1.00 0.00 0.00 59.36 57.88 2jk8 h GLU 41 Cb 0.64 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2jk8 h GLU 41 CO 0.05 1.01 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.81 2jk8 h LYS 42 N 0.17 0.79 -0.49 2.33 3.11 -1.01 -1.49 116.57 119.99 2jk8 h LYS 42 Ca -0.01 -0.27 -0.01 0.00 -2.81 0.00 0.00 60.65 57.55 2jk8 h LYS 42 Cb 1.05 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.19 2jk8 h LYS 42 CO 0.09 0.88 0.28 0.00 -2.81 0.00 0.00 179.45 177.89 2jk8 h SER 44 N 0.65 -0.28 -0.07 0.00 0.87 -1.05 0.00 113.55 113.67 2jk8 h SER 44 Ca 0.17 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.80 2jk8 h SER 44 Cb 0.03 0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.04 2jk8 h SER 44 CO -0.03 -0.16 -0.21 -0.74 -0.53 0.00 0.00 176.83 175.16 2jk8 h HIS 45 N -0.23 -0.54 -0.30 2.24 6.17 -1.17 -2.27 115.15 119.04 2jk8 h HIS 45 Ca 0.01 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.08 2jk8 h HIS 45 Cb 0.23 0.25 -0.01 0.00 2.52 0.00 0.00 27.41 30.39 2jk8 h HIS 45 CO -0.12 -0.29 0.07 -0.44 0.71 0.00 0.00 177.93 177.86 2jk8 h ASP 46 N -0.29 0.47 0.21 3.26 3.45 -0.84 -2.95 116.42 119.73 2jk8 h ASP 46 Ca 0.08 -0.24 -0.08 0.00 0.43 0.00 0.00 57.03 57.23 2jk8 h ASP 46 Cb 0.41 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.04 2jk8 h ASP 46 CO -0.24 0.58 -0.30 0.71 -1.57 0.00 0.00 179.24 178.43 2jk8 h THR 47 N 0.33 1.24 -0.71 0.35 1.35 -1.00 -2.25 112.91 112.22 2jk8 h THR 47 Ca 0.09 -1.16 0.02 0.00 -0.55 0.00 0.00 66.41 64.82 2jk8 h THR 47 Cb 0.30 1.52 -0.04 0.00 -1.73 0.00 0.00 68.15 68.20 2jk8 h THR 47 CO 0.00 0.34 0.45 0.00 -0.25 0.00 0.00 175.52 176.07 2jk8 h ALA 48 N 1.57 0.92 -0.56 6.62 0.00 -1.30 -1.29 119.26 125.23 2jk8 h ALA 48 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2jk8 h ALA 48 Cb 0.60 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2jk8 h ALA 48 CO 0.04 0.26 0.20 0.87 0.00 0.00 0.00 179.25 180.62 2jk8 h LYS 49 N 0.90 0.84 -0.48 0.00 1.57 -1.27 -2.96 116.57 115.17 2jk8 h LYS 49 Ca 0.28 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2jk8 h LYS 49 Cb -0.03 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 2jk8 h LYS 49 CO -0.09 0.75 0.30 0.00 -0.57 0.00 0.00 179.45 179.84 2jk8 h ALA 50 N 1.06 0.61 -0.48 3.86 0.00 -1.14 -2.60 119.26 120.58 2jk8 h ALA 50 Ca 0.18 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.17 2jk8 h ALA 50 Cb 0.23 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 2jk8 h ALA 50 CO -0.01 0.01 -0.02 0.52 0.00 0.00 0.00 179.25 179.75 2jk8 h MET 51 N 0.61 0.09 -0.64 0.00 2.86 -1.18 0.29 114.93 116.96 2jk8 h MET 51 Ca 0.19 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.92 2jk8 h MET 51 Cb -0.02 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.54 2jk8 h MET 51 CO -0.07 0.06 0.24 0.82 1.06 0.00 0.00 176.91 179.02 2jk8 h ILE 52 N 0.10 0.75 -0.15 -1.22 5.03 -1.30 0.39 117.51 121.10 2jk8 h ILE 52 Ca 0.24 -0.14 -0.17 0.00 -0.12 0.00 0.00 64.86 64.67 2jk8 h ILE 52 Cb 0.36 0.30 0.01 0.00 -3.03 0.00 0.00 36.82 34.45 2jk8 h ILE 52 CO -0.41 0.08 -0.56 0.78 -0.68 0.00 0.00 178.15 177.35 2jk8 h ASN 53 N 0.42 0.75 -0.85 1.72 2.35 -1.23 -3.23 115.58 115.52 2jk8 h ASN 53 Ca 0.33 -0.61 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 2jk8 h ASN 53 Cb 0.42 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 2jk8 h ASN 53 CO -0.32 1.24 0.55 -0.07 -1.65 0.00 0.00 177.43 177.18 2jk8 h LEU 54 N 0.32 0.99 -1.59 1.61 3.38 0.17 -1.37 115.31 118.81 2jk8 h LEU 54 Ca -0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2jk8 h LEU 54 Cb 1.19 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2jk8 h LEU 54 CO 0.12 0.73 0.00 0.03 0.09 0.00 0.00 178.44 179.41 2jk8 h ARG 55 N 1.16 0.00 0.00 1.13 3.08 -0.99 -2.26 114.38 116.49 2jk8 h ARG 55 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2jk8 h ARG 55 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2jk8 h ARG 55 CO -0.06 0.00 -1.02 0.39 -1.07 0.00 0.00 179.97 178.20 2jk8 n GLU 56 N -2.51 0.32 -2.10 0.04 -0.58 -0.54 -4.96 120.64 110.32 2jk8 n GLU 56 Ca -0.01 0.01 -0.33 0.00 -0.42 0.00 0.00 57.16 56.41 2jk8 n GLU 56 Cb 0.12 -1.61 0.01 0.00 -0.57 0.00 0.00 31.44 29.38 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 -3.22 3.35 0.64 3.49 -1.05 -0.85 -4.99 118.70 116.07 2jk8 s GLU 57 Ca 0.03 1.24 -0.16 0.00 -0.15 0.00 0.00 54.97 55.93 2jk8 s GLU 57 Cb 0.14 -2.03 -0.01 0.00 -0.44 0.00 0.00 34.13 31.79 2jk8 s GLU 57 CO 0.80 -0.79 1.14 -1.12 0.95 0.00 0.00 175.26 176.23 2jk8 s SER 58 N -2.65 5.11 0.62 0.83 0.01 -1.26 -4.99 113.70 111.37 2jk8 s SER 58 Ca 0.64 2.12 -0.18 0.00 1.31 0.00 0.00 55.95 59.84 2jk8 s SER 58 Cb -0.16 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.48 2jk8 s SER 58 CO 0.35 -1.63 1.24 -0.76 0.41 0.00 0.00 173.24 172.84 2jk8 s LEU 59 N -4.62 3.61 0.71 2.44 1.43 -1.26 -5.01 118.68 115.98 2jk8 s LEU 59 Ca 0.70 2.46 -0.09 0.00 -1.03 0.00 0.00 54.13 56.17 2jk8 s LEU 59 Cb -0.23 -4.60 0.05 0.00 0.03 0.00 0.00 46.19 41.43 2jk8 s LEU 59 CO 0.38 -1.78 1.05 -2.16 0.23 0.00 0.00 176.35 174.07 2jk8 s PRO 60 N -3.40 2.39 0.01 1.29 0.04 -1.26 -5.01 135.00 129.07 2jk8 s PRO 60 Ca 0.79 0.02 -0.18 0.00 0.04 0.00 0.00 61.00 61.67 2jk8 s PRO 60 Cb -0.33 -2.11 -0.34 0.00 0.04 0.00 0.00 34.50 31.77 2jk8 s PRO 60 CO 0.36 -1.19 0.98 1.05 0.04 0.00 0.00 177.00 178.24 2jk8 h GLU 61 N -0.65 0.49 -6.26 4.56 4.11 -2.05 -3.46 114.58 111.32 2jk8 h GLU 61 Ca -0.45 -0.80 -0.69 0.00 0.07 0.00 0.00 59.36 57.49 2jk8 h GLU 61 Cb 1.30 0.29 -0.22 0.00 0.50 0.00 0.00 28.75 30.62 2jk8 h GLU 61 CO 0.62 1.38 -0.75 0.71 0.07 0.00 0.00 179.01 181.04 2jk8 s TYR 62 N -2.61 2.77 -0.73 2.06 2.02 -1.26 -5.04 117.35 114.56 2jk8 s TYR 62 Ca -0.10 -0.11 -0.08 0.00 -0.37 0.00 0.00 57.07 56.40 2jk8 s TYR 62 Cb 0.03 -1.65 0.19 0.00 -0.40 0.00 0.00 41.96 40.13 2jk8 s TYR 62 CO 0.91 0.22 0.60 -0.06 -1.57 0.00 0.00 175.55 175.66 2jk8 s PHE 63 N -0.74 3.58 0.00 2.71 0.08 -1.26 -4.79 117.98 117.56 2jk8 s PHE 63 Ca 0.11 -2.40 0.00 0.00 0.12 0.00 0.00 56.93 54.77 2jk8 s PHE 63 Cb -0.11 -3.49 0.00 0.00 -0.57 0.00 0.00 43.02 38.85 2jk8 s PHE 63 CO 0.01 -0.91 0.00 -0.40 -0.10 0.00 0.00 175.22 173.82 2jk8 n ASP 64 N 3.66 1.24 0.15 1.36 5.68 -1.26 -4.85 116.55 122.52 2jk8 n ASP 64 Ca 0.11 -0.95 0.01 0.00 -0.50 0.00 0.00 54.79 53.47 2jk8 n ASP 64 Cb 0.42 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.60 2jk8 n ASP 64 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2jk8 h THR 65 N 0.95 1.24 -1.00 2.12 1.35 -1.96 -1.91 112.91 113.69 2jk8 h THR 65 Ca 0.00 -2.02 0.16 0.00 -0.55 0.00 0.00 66.41 64.00 2jk8 h THR 65 Cb 0.00 2.14 -0.10 0.00 -1.73 0.00 0.00 68.15 68.46 2jk8 h THR 65 CO 0.00 0.55 0.62 0.00 -0.25 0.00 0.00 175.52 176.44 2jk8 h ALA 66 N 1.44 1.63 -0.16 6.62 0.00 -1.97 0.27 119.26 127.09 2jk8 h ALA 66 Ca -0.01 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2jk8 h ALA 66 Cb 1.10 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2jk8 h ALA 66 CO 0.07 0.06 -0.44 -0.92 0.00 0.00 0.00 179.25 178.02 2jk8 h TYR 67 N 0.85 0.75 -0.77 0.00 3.20 -1.68 -1.30 116.97 118.02 2jk8 h TYR 67 Ca 0.54 -0.29 0.14 0.00 3.14 0.00 0.00 58.73 62.26 2jk8 h TYR 67 Cb 0.73 -0.13 -0.09 0.00 1.54 0.00 0.00 36.73 38.78 2jk8 h TYR 67 CO -0.00 1.06 0.33 1.25 -1.64 0.00 0.00 178.16 179.15 2jk8 h LEU 68 N 0.22 0.33 -0.67 2.82 5.85 -0.58 -1.87 115.31 121.40 2jk8 h LEU 68 Ca -0.01 0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 2jk8 h LEU 68 Cb 1.06 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2jk8 h LEU 68 CO 0.10 0.12 -0.30 0.00 -0.34 0.00 0.00 178.44 178.02 2jk8 h HIS 70 N 0.60 0.96 0.05 0.00 -0.00 -0.73 0.15 115.15 116.18 2jk8 h HIS 70 Ca 0.07 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.44 2jk8 h HIS 70 Cb 0.81 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.90 2jk8 h HIS 70 CO 0.04 0.64 -0.02 0.82 -0.00 0.00 0.00 177.93 179.41 2jk8 h ILE 71 N 1.00 1.04 -0.39 6.26 2.04 -1.17 0.23 117.51 126.51 2jk8 h ILE 71 Ca 0.26 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2jk8 h ILE 71 Cb -0.04 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2jk8 h ILE 71 CO -0.05 0.07 0.16 -0.74 0.00 0.00 0.00 178.15 177.59 2jk8 h HIS 72 N -0.18 0.58 -0.83 1.37 2.76 -1.05 -0.77 115.15 117.03 2jk8 h HIS 72 Ca -0.01 -0.04 0.10 0.00 -2.20 0.00 0.00 60.37 58.23 2jk8 h HIS 72 Cb 0.16 -0.18 -0.08 0.00 1.55 0.00 0.00 27.41 28.86 2jk8 h HIS 72 CO -0.04 0.51 0.47 0.37 -1.30 0.00 0.00 177.93 177.94 2jk8 h GLN 73 N 0.48 0.74 -0.23 5.26 -0.00 -0.59 -0.54 115.11 120.22 2jk8 h GLN 73 Ca 0.13 -0.04 -0.19 0.00 -0.00 0.00 0.00 58.65 58.55 2jk8 h GLN 73 Cb 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 27.48 27.48 2jk8 h GLN 73 CO -0.01 0.49 -0.61 1.96 0.00 0.00 0.00 178.83 180.66 2jk8 h GLN 74 N 0.76 0.79 -0.19 1.69 1.08 -0.33 -1.59 115.11 117.32 2jk8 h GLN 74 Ca 0.41 -0.54 -0.03 0.00 -1.45 0.00 0.00 58.65 57.05 2jk8 h GLN 74 Cb 0.42 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 2jk8 h GLN 74 CO -0.27 1.16 0.02 -0.07 -0.95 0.00 0.00 178.83 178.72 2jk8 h LEU 75 N 0.59 0.31 -3.08 1.46 3.38 -0.81 -3.32 115.31 113.84 2jk8 h LEU 75 Ca -0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2jk8 h LEU 75 Cb 1.21 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2jk8 h LEU 75 CO 0.13 0.51 0.00 0.49 0.09 0.00 0.00 178.44 179.66 2jk8 n PHE 76 N -4.74 1.21 -0.25 1.13 3.72 -0.24 -4.49 117.46 113.79 2jk8 n PHE 76 Ca -0.04 -0.61 0.10 0.00 -0.05 0.00 0.00 57.45 56.84 2jk8 n PHE 76 Cb 0.20 -0.19 0.35 0.00 -0.94 0.00 0.00 39.48 38.90 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 3.50 0.73 -0.01 -1.08 2.10 -1.39 -1.30 116.57 119.12 2jk8 h LYS 77 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2jk8 h LYS 77 Cb 1.29 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2jk8 h LYS 77 CO 0.17 0.48 -0.07 0.09 -2.00 0.00 0.00 179.45 178.13 2jk8 n ASN 78 N -4.53 1.26 -0.06 7.07 3.02 -1.26 -4.43 115.26 116.32 2jk8 n ASN 78 Ca 0.15 -1.28 -0.11 0.00 -0.03 0.00 0.00 54.58 53.31 2jk8 n ASN 78 Cb 0.38 0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.53 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 -0.14 0.65 -5.08 3.41 -1.04 -0.56 -4.59 114.28 106.93 2jk8 n THR 79 Ca 0.17 -0.19 -0.28 0.00 -2.04 0.00 0.00 64.05 61.72 2jk8 n THR 79 Cb 0.34 -1.45 -0.16 0.00 -1.82 0.00 0.00 70.33 67.24 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 -2.22 1.98 0.36 -1.42 2.99 -0.80 -0.06 117.98 118.81 2jk8 s PHE 80 Ca -0.16 -0.41 0.18 0.00 0.00 0.00 0.00 56.93 56.54 2jk8 s PHE 80 Cb 0.06 -1.28 0.97 0.00 0.00 0.00 0.00 43.02 42.76 2jk8 s PHE 80 CO 0.22 -0.06 1.90 0.93 -0.00 0.00 0.00 175.22 178.21 2jk8 h GLU 81 N 5.70 0.00 -0.78 0.44 5.08 -1.87 -2.93 114.58 120.22 2jk8 h GLU 81 Ca -0.39 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.79 2jk8 h GLU 81 Cb 1.14 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.28 2jk8 h GLU 81 CO 0.48 0.27 0.24 -2.67 -1.00 0.00 0.00 179.01 176.32 2jk8 n TRP 82 N -3.88 2.20 -0.17 4.33 4.27 -1.26 -4.77 117.44 118.16 2jk8 n TRP 82 Ca -0.02 -1.06 -0.04 0.00 -3.89 0.00 0.00 57.50 52.48 2jk8 n TRP 82 Cb 0.35 -0.63 -0.04 0.00 -1.36 0.00 0.00 31.31 29.63 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 -0.06 -0.26 0.93 -1.67 0.00 -1.11 -0.47 120.51 117.88 2jk8 n ALA 83 Ca 0.36 0.34 0.07 0.00 0.00 0.00 0.00 53.44 54.21 2jk8 n ALA 83 Cb 1.27 0.23 0.43 0.00 0.00 0.00 0.00 19.45 21.39 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 -1.10 -0.46 3.86 0.00 0.00 -1.26 -3.91 105.19 102.31 2jk8 n GLY 84 Ca 0.01 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.00 3.64 0.47 1.61 2.02 0.38 -4.77 117.35 118.70 2jk8 s TYR 85 Ca 0.22 0.70 -0.20 0.00 -0.37 0.00 0.00 57.07 57.42 2jk8 s TYR 85 Cb 0.10 -2.08 -0.09 0.00 -0.40 0.00 0.00 41.96 39.49 2jk8 s TYR 85 CO 0.17 0.68 0.98 -0.51 -1.57 0.00 0.00 175.55 175.31 2jk8 s LEU 86 N -0.98 3.82 0.06 -1.29 1.43 -1.26 -4.73 118.68 115.73 2jk8 s LEU 86 Ca 0.18 1.73 0.27 0.00 -1.03 0.00 0.00 54.13 55.28 2jk8 s LEU 86 Cb -0.14 -4.54 1.10 0.00 0.03 0.00 0.00 46.19 42.64 2jk8 s LEU 86 CO 0.07 -0.56 1.86 -2.11 0.23 0.00 0.00 176.35 175.85 2jk8 n ARG 87 N -1.00 0.07 0.04 1.70 1.85 -0.71 -2.81 116.66 115.79 2jk8 n ARG 87 Ca 0.08 0.07 0.13 0.00 -1.00 0.00 0.00 57.85 57.13 2jk8 n ARG 87 Cb 0.54 -1.58 0.39 0.00 -1.05 0.00 0.00 32.46 30.75 2jk8 n ARG 87 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 2jk8 n HIS 88 N -1.70 0.34 -3.25 2.89 1.44 -1.26 -1.40 115.22 112.28 2jk8 n HIS 88 Ca 0.06 0.10 -0.42 0.00 -2.01 0.00 0.00 57.72 55.46 2jk8 n HIS 88 Cb 0.35 -0.58 -0.08 0.00 0.12 0.00 0.00 29.99 29.80 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 -3.06 5.02 0.20 0.61 -1.09 -1.12 -4.90 121.20 116.85 2jk8 s ILE 89 Ca 0.11 0.23 -0.32 0.00 -2.23 0.00 0.00 60.65 58.44 2jk8 s ILE 89 Cb 0.16 -3.98 -0.15 0.00 -1.58 0.00 0.00 42.46 36.91 2jk8 s ILE 89 CO 0.63 -0.26 1.29 -2.65 -1.23 0.00 0.00 174.94 172.72 2jk8 n PRO 90 N 5.75 1.60 -3.93 2.79 -0.02 -1.26 -4.84 135.00 135.09 2jk8 n PRO 90 Ca -0.05 0.57 -0.28 0.00 -2.02 0.00 0.00 63.50 61.72 2jk8 n PRO 90 Cb 0.49 -2.15 -0.17 0.00 -0.02 0.00 0.00 33.50 31.65 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 -0.08 1.67 -0.31 6.00 5.36 -0.13 -4.94 117.98 125.56 2jk8 s PHE 91 Ca 0.71 -0.91 -0.18 0.00 -0.96 0.00 0.00 56.93 55.59 2jk8 s PHE 91 Cb -0.75 -1.33 -0.02 0.00 -0.34 0.00 0.00 43.02 40.58 2jk8 s PHE 91 CO 0.50 -0.57 0.52 0.99 -1.46 0.00 0.00 175.22 175.21 2jk8 s THR 92 N 1.65 5.03 0.80 0.12 2.01 -1.26 -1.32 115.64 122.67 2jk8 s THR 92 Ca 0.04 0.62 -0.11 0.00 0.31 0.00 0.00 61.69 62.56 2jk8 s THR 92 Cb -0.13 -3.90 0.07 0.00 0.01 0.00 0.00 72.50 68.55 2jk8 s THR 92 CO -0.09 -0.07 1.09 -0.36 -0.69 0.00 0.00 174.62 174.50 2jk8 s PHE 93 N 2.38 2.53 0.33 4.92 0.08 0.08 -4.89 117.98 123.42 2jk8 s PHE 93 Ca 0.20 1.48 0.12 0.00 0.12 0.00 0.00 56.93 58.85 2jk8 s PHE 93 Cb -0.15 -3.07 0.95 0.00 -0.57 0.00 0.00 43.02 40.18 2jk8 s PHE 93 CO 0.11 -1.92 1.72 0.00 -0.10 0.00 0.00 175.22 175.04 2jk8 h ALA 94 N -1.22 1.89 0.00 5.36 0.00 -1.97 -0.01 119.26 123.31 2jk8 h ALA 94 Ca -0.45 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2jk8 h ALA 94 Cb 1.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2jk8 h ALA 94 CO 0.52 -0.38 0.00 -0.40 0.00 0.00 0.00 179.25 179.00 2jk8 n ASP 95 N -4.87 0.00 0.00 0.00 5.68 -1.26 -4.89 116.55 111.21 2jk8 n ASP 95 Ca 0.28 0.19 0.00 0.00 -0.50 0.00 0.00 54.79 54.76 2jk8 n ASP 95 Cb 0.81 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 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 0.19 3.14 3.80 6.12 0.00 -0.02 -5.07 105.19 113.36 2jk8 n GLY 96 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.77 4.00 -0.09 2.61 -4.23 -1.26 -4.71 115.64 109.19 2jk8 s THR 97 Ca 0.00 1.28 0.04 0.00 -1.18 0.00 0.00 61.69 61.84 2jk8 s THR 97 Cb 0.00 -3.54 -0.00 0.00 1.34 0.00 0.00 72.50 70.29 2jk8 s THR 97 CO 0.00 -0.23 -0.23 -0.89 -0.54 0.00 0.00 174.62 172.73 2jk8 s THR 98 N -2.00 2.16 0.10 3.99 2.01 -1.26 -0.74 115.64 119.89 2jk8 s THR 98 Ca 0.64 -1.00 0.08 0.00 0.31 0.00 0.00 61.69 61.72 2jk8 s THR 98 Cb -0.14 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 2jk8 s THR 98 CO 0.18 0.56 -0.20 0.00 -0.69 0.00 0.00 174.62 174.48 2jk8 s ALA 99 N 0.18 1.71 -0.28 7.40 0.00 -0.43 -2.52 121.76 127.81 2jk8 s ALA 99 Ca -0.13 -1.20 -0.23 0.00 0.00 0.00 0.00 51.96 50.40 2jk8 s ALA 99 Cb -0.16 -0.23 0.12 0.00 0.00 0.00 0.00 23.12 22.85 2jk8 s ALA 99 CO 0.07 0.34 0.99 0.00 0.00 0.00 0.00 175.76 177.16 2jk8 s ALA 100 N -1.16 -2.02 -0.53 0.00 0.00 -1.22 -0.95 121.76 115.87 2jk8 s ALA 100 Ca 0.05 1.98 0.04 0.00 0.00 0.00 0.00 51.96 54.03 2jk8 s ALA 100 Cb -0.10 -1.48 0.15 0.00 0.00 0.00 0.00 23.12 21.68 2jk8 s ALA 100 CO 0.04 -0.27 0.33 1.41 0.00 0.00 0.00 175.76 177.27 2jk8 s MET 101 N 0.53 1.74 0.29 0.00 1.75 -0.49 -3.19 119.30 119.93 2jk8 s MET 101 Ca -0.00 -2.55 0.14 0.00 -1.25 0.00 0.00 55.69 52.03 2jk8 s MET 101 Cb -0.05 -2.77 0.32 0.00 2.84 0.00 0.00 34.83 35.17 2jk8 s MET 101 CO -0.08 -1.21 1.56 -1.35 -0.65 0.00 0.00 175.02 173.29 2jk8 h PRO 102 N 6.16 0.00 0.00 4.11 0.11 -1.91 -3.41 132.00 137.06 2jk8 h PRO 102 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2jk8 h PRO 102 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2jk8 h PRO 102 CO 0.58 0.57 0.00 -1.91 -0.21 0.00 0.00 178.00 177.03 2jk8 n GLU 103 N -3.49 0.00 0.00 1.05 4.07 -1.26 -2.20 120.64 118.80 2jk8 n GLU 103 Ca 0.00 0.24 0.00 0.00 -0.06 0.00 0.00 57.16 57.34 2jk8 n GLU 103 Cb 0.66 -0.69 0.00 0.00 -0.06 0.00 0.00 31.44 31.34 2jk8 n GLU 103 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 2jk8 n MET 104 N -1.88 0.00 -2.28 5.31 2.81 -1.26 -4.76 117.12 115.07 2jk8 n MET 104 Ca 0.00 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.86 2jk8 n MET 104 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 2jk8 n MET 104 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2jk8 n LYS 105 N 0.00 -1.18 -1.35 0.03 3.00 -1.26 -5.03 118.16 112.36 2jk8 n LYS 105 Ca 0.00 1.32 -0.28 0.00 -0.00 0.00 0.00 58.31 59.35 2jk8 n LYS 105 Cb 0.00 -3.83 0.22 0.00 0.00 0.00 0.00 35.03 31.41 2jk8 n LYS 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2jk8 n ARG 106 N -0.64 -2.24 -2.27 1.64 5.12 -1.26 -5.05 116.66 111.96 2jk8 n ARG 106 Ca 0.05 -1.79 -0.36 0.00 -1.93 0.00 0.00 57.85 53.82 2jk8 n ARG 106 Cb 0.31 -1.44 -0.01 0.00 -1.16 0.00 0.00 32.46 30.16 2jk8 n ARG 106 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2jk8 s THR 107 N -3.27 3.16 0.37 0.55 -1.32 -1.26 -4.92 115.64 108.94 2jk8 s THR 107 Ca 0.69 0.82 0.15 0.00 -1.21 0.00 0.00 61.69 62.14 2jk8 s THR 107 Cb -0.04 -3.39 0.36 0.00 -1.51 0.00 0.00 72.50 67.92 2jk8 s THR 107 CO 0.51 -0.06 1.77 1.23 -2.21 0.00 0.00 174.62 175.86 2jk8 h GLY 108 N 1.79 1.41 2.00 6.08 0.00 -2.01 -0.60 103.07 111.74 2jk8 h GLY 108 Ca -0.50 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.59 2jk8 h GLY 108 CO 0.59 -0.14 0.00 0.11 0.00 0.00 0.00 176.54 177.10 2jk8 h TRP 109 N 0.48 0.00 -4.18 5.60 5.08 -2.05 -3.45 115.95 117.43 2jk8 h TRP 109 Ca 0.60 0.00 -0.48 0.00 1.08 0.00 0.00 58.89 60.09 2jk8 h TRP 109 Cb 1.36 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 27.54 2jk8 h TRP 109 CO -0.00 0.00 0.36 0.15 -1.28 0.00 0.00 178.44 177.67 2jk8 s LYS 110 N -3.29 3.88 0.32 0.12 1.02 -0.23 -5.02 119.74 116.53 2jk8 s LYS 110 Ca 0.06 0.88 -0.28 0.00 0.02 0.00 0.00 55.97 56.65 2jk8 s LYS 110 Cb 0.09 -2.15 -0.10 0.00 -0.52 0.00 0.00 37.83 35.16 2jk8 s LYS 110 CO 0.55 -0.30 1.22 1.21 -0.92 0.00 0.00 175.35 177.11 2jk8 s ASN 111 N -3.27 6.90 0.15 2.83 3.84 -1.26 -4.86 114.94 119.26 2jk8 s ASN 111 Ca 0.58 2.50 0.07 0.00 0.21 0.00 0.00 52.86 56.22 2jk8 s ASN 111 Cb -0.10 -2.64 -0.04 0.00 -0.55 0.00 0.00 41.25 37.92 2jk8 s ASN 111 CO 0.35 -0.43 -0.04 0.00 -2.79 0.00 0.00 177.10 174.20 2jk8 s ALA 112 N -1.19 3.12 0.88 1.71 0.00 -1.26 -4.97 121.76 120.05 2jk8 s ALA 112 Ca 0.49 -1.31 -0.13 0.00 0.00 0.00 0.00 51.96 51.00 2jk8 s ALA 112 Cb -0.36 -0.97 0.14 0.00 0.00 0.00 0.00 23.12 21.93 2jk8 s ALA 112 CO 0.47 0.55 1.24 -0.06 0.00 0.00 0.00 175.76 177.96 2jk8 s PHE 113 N -1.54 2.25 0.42 0.00 0.40 -1.26 -5.04 117.98 113.21 2jk8 s PHE 113 Ca 0.25 0.50 -0.24 0.00 -0.60 0.00 0.00 56.93 56.84 2jk8 s PHE 113 Cb -0.10 -3.78 -0.08 0.00 0.51 0.00 0.00 43.02 39.57 2jk8 s PHE 113 CO 0.17 -2.19 1.17 0.00 0.70 0.00 0.00 175.22 175.07 2jk8 s ALA 114 N -3.71 3.08 -0.13 5.36 0.00 -0.86 -5.04 121.76 120.47 2jk8 s ALA 114 Ca 0.68 0.96 -0.03 0.00 0.00 0.00 0.00 51.96 53.58 2jk8 s ALA 114 Cb -0.07 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2jk8 s ALA 114 CO 0.51 -0.59 -0.04 0.42 0.00 0.00 0.00 175.76 176.05 2jk8 s ILE 115 N -1.46 3.89 0.00 0.00 1.01 -1.26 -4.75 121.20 118.63 2jk8 s ILE 115 Ca 0.60 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.87 2jk8 s ILE 115 Cb -0.30 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.50 2jk8 s ILE 115 CO 0.37 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.45 2jk8 n GLY 116 N 3.11 2.25 0.01 6.18 0.00 -0.94 -2.36 105.19 113.45 2jk8 n GLY 116 Ca -0.18 0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.23 2jk8 n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jk8 n ASP 117 N 10.90 0.36 -0.22 1.61 8.00 -1.26 -2.95 116.55 133.00 2jk8 n ASP 117 Ca 0.00 -0.06 0.02 0.00 0.71 0.00 0.00 54.79 55.46 2jk8 n ASP 117 Cb 0.00 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.36 2jk8 n ASP 117 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2jk8 h GLU 118 N 0.07 0.95 -0.24 -1.24 5.08 -1.84 -0.04 114.58 117.31 2jk8 h GLU 118 Ca 0.00 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 2jk8 h GLU 118 Cb 0.49 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 2jk8 h GLU 118 CO 0.00 0.63 -0.14 0.82 -1.00 0.00 0.00 179.01 179.31 2jk8 h ILE 119 N 0.98 0.58 -0.21 3.13 2.04 -1.72 0.32 117.51 122.63 2jk8 h ILE 119 Ca 0.29 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.12 2jk8 h ILE 119 Cb -0.02 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2jk8 h ILE 119 CO -0.08 0.00 0.01 -0.61 0.00 0.00 0.00 178.15 177.48 2jk8 h GLN 120 N -0.12 0.36 -0.22 2.37 4.15 -1.63 -1.58 115.11 118.43 2jk8 h GLN 120 Ca 0.13 -0.11 0.05 0.00 0.77 0.00 0.00 58.65 59.50 2jk8 h GLN 120 Cb 0.32 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.92 2jk8 h GLN 120 CO -0.32 0.54 -0.15 0.93 -1.93 0.00 0.00 178.83 177.90 2jk8 h GLU 121 N 0.13 -0.13 -0.22 1.69 5.08 -0.62 -1.54 114.58 118.96 2jk8 h GLU 121 Ca 0.06 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2jk8 h GLU 121 Cb 0.37 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2jk8 h GLU 121 CO 0.01 -0.09 0.01 0.78 -1.00 0.00 0.00 179.01 178.72 2jk8 h GLY 122 N -0.14 0.22 1.26 -3.84 0.00 -0.26 -1.78 103.07 98.53 2jk8 h GLY 122 Ca 0.13 0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.36 2jk8 h GLY 122 CO -0.31 -0.03 -0.15 1.41 0.00 0.00 0.00 176.54 177.46 2jk8 h LEU 123 N 0.09 0.87 -0.72 3.11 3.38 -1.11 -1.46 115.31 119.48 2jk8 h LEU 123 Ca 0.10 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 2jk8 h LEU 123 Cb 0.12 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2jk8 h LEU 123 CO -0.16 1.02 0.22 1.56 0.09 0.00 0.00 178.44 181.17 2jk8 h GLN 124 N 0.77 1.12 -0.47 1.13 4.20 -1.12 -0.88 115.11 119.85 2jk8 h GLN 124 Ca 0.12 -0.24 0.02 0.00 0.06 0.00 0.00 58.65 58.61 2jk8 h GLN 124 Cb 0.67 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 2jk8 h GLN 124 CO 0.05 0.96 0.28 -0.09 -0.67 0.00 0.00 178.83 179.35 2jk8 h ARG 125 N 1.06 0.54 -0.70 1.46 2.43 -1.05 0.21 114.38 118.32 2jk8 h ARG 125 Ca 0.23 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2jk8 h ARG 125 Cb 0.31 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 2jk8 h ARG 125 CO -0.01 0.35 0.45 1.25 -1.51 0.00 0.00 179.97 180.50 2jk8 h LEU 126 N 0.55 0.82 -0.46 3.80 5.85 -0.91 -0.54 115.31 124.43 2jk8 h LEU 126 Ca 0.19 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 2jk8 h LEU 126 Cb 0.03 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 2jk8 h LEU 126 CO -0.09 0.62 0.04 0.44 -0.34 0.00 0.00 178.44 179.11 2jk8 h ASP 127 N 0.95 0.76 -0.38 1.25 3.32 -0.76 -2.66 116.42 118.91 2jk8 h ASP 127 Ca 0.25 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2jk8 h ASP 127 Cb -0.07 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 2jk8 h ASP 127 CO -0.05 0.85 0.21 -0.61 -1.72 0.00 0.00 179.24 177.93 2jk8 h GLN 128 N 0.65 0.53 -0.31 3.56 5.75 -0.26 -2.31 115.11 122.72 2jk8 h GLN 128 Ca 0.14 -0.06 -0.16 0.00 -0.15 0.00 0.00 58.65 58.42 2jk8 h GLN 128 Cb 0.44 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.88 2jk8 h GLN 128 CO 0.02 0.43 -0.43 1.79 -2.65 0.00 0.00 178.83 177.99 2jk8 h THR 129 N 0.49 1.28 -0.08 2.39 1.35 -1.06 -2.43 112.91 114.86 2jk8 h THR 129 Ca 0.13 -1.61 -0.03 0.00 -0.55 0.00 0.00 66.41 64.36 2jk8 h THR 129 Cb 0.05 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.02 2jk8 h THR 129 CO -0.02 0.53 -0.07 -0.07 -0.25 0.00 0.00 175.52 175.63 2jk8 h LEU 130 N 0.62 0.11 -0.17 3.87 3.38 -1.44 -1.64 115.31 120.04 2jk8 h LEU 130 Ca 0.04 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 2jk8 h LEU 130 Cb 1.02 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.76 2jk8 h LEU 130 CO 0.10 0.20 -0.75 0.00 0.09 0.00 0.00 178.44 178.08 2jk8 h ALA 131 N 1.82 0.32 -0.10 1.53 0.00 -1.34 0.32 119.26 121.81 2jk8 h ALA 131 Ca 0.03 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 2jk8 h ALA 131 Cb 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jk8 h ALA 131 CO 0.01 0.67 -0.34 0.93 0.00 0.00 0.00 179.25 180.52 2jk8 h GLU 132 N 0.55 0.20 -0.48 0.00 5.08 -1.10 -3.15 114.58 115.68 2jk8 h GLU 132 Ca -0.05 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2jk8 h GLU 132 Cb 1.38 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 2jk8 h GLU 132 CO 0.16 0.52 0.00 1.63 -1.00 0.00 0.00 179.01 180.32 2jk8 n LYS 133 N -4.09 4.31 -4.06 2.33 5.02 -0.65 -4.97 118.16 116.05 2jk8 n LYS 133 Ca -0.01 -3.08 -0.35 0.00 -2.02 0.00 0.00 58.31 52.85 2jk8 n LYS 133 Cb 0.42 -2.15 -0.02 0.00 -0.02 0.00 0.00 35.03 33.26 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 0.27 -1.90 -3.00 4.39 3.02 -1.08 -0.38 115.26 116.58 2jk8 n ASN 134 Ca 0.26 -1.18 -0.19 0.00 -0.03 0.00 0.00 54.58 53.43 2jk8 n ASN 134 Cb 1.11 -2.23 0.00 0.00 -0.61 0.00 0.00 39.78 38.06 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 -2.65 -4.14 -3.19 6.41 3.02 0.11 -2.61 115.26 112.21 2jk8 n ASN 135 Ca -0.22 -0.18 -0.19 0.00 -0.03 0.00 0.00 54.58 53.97 2jk8 n ASN 135 Cb 0.64 -3.44 0.07 0.00 -0.61 0.00 0.00 39.78 36.44 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 -3.46 -3.42 -0.03 3.41 4.77 0.48 -4.73 117.00 114.02 2jk8 n LEU 136 Ca -0.07 -0.50 -0.17 0.00 -0.03 0.00 0.00 56.01 55.24 2jk8 n LEU 136 Cb 0.58 -2.75 -0.14 0.00 -2.33 0.00 0.00 43.42 38.78 2jk8 n LEU 136 CO 0.39 0.49 -0.83 1.67 -1.33 0.00 0.00 177.39 177.79 2jk8 n GLN 137 N -4.21 0.71 -1.90 3.23 7.27 -1.07 -4.42 117.38 116.97 2jk8 n GLN 137 Ca -0.08 0.24 -0.37 0.00 0.07 0.00 0.00 57.00 56.85 2jk8 n GLN 137 Cb 0.59 -1.69 0.04 0.00 2.41 0.00 0.00 30.24 31.58 2jk8 n GLN 137 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jk8 n GLY 138 N 1.90 5.66 3.47 1.69 0.00 -1.26 -4.74 105.19 111.90 2jk8 n GLY 138 Ca -0.30 -2.50 -0.23 0.00 0.00 0.00 0.00 46.02 42.99 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 -3.96 2.61 0.85 0.99 1.43 -1.26 -5.13 118.68 114.21 2jk8 s LEU 139 Ca 0.53 -1.11 -0.13 0.00 -1.03 0.00 0.00 54.13 52.39 2jk8 s LEU 139 Cb 0.44 -0.93 0.11 0.00 0.03 0.00 0.00 46.19 45.84 2jk8 s LEU 139 CO -0.32 -0.13 1.22 0.42 0.23 0.00 0.00 176.35 177.76 2jk8 s THR 140 N -2.69 2.00 0.14 5.49 -4.23 -1.26 -4.80 115.64 110.30 2jk8 s THR 140 Ca 0.30 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.68 2jk8 s THR 140 Cb -0.01 -2.99 0.01 0.00 1.34 0.00 0.00 72.50 70.86 2jk8 s THR 140 CO 0.14 0.00 1.61 0.03 -0.54 0.00 0.00 174.62 175.86 2jk8 h ARG 141 N -1.22 0.82 -0.35 3.99 3.08 -1.98 0.44 114.38 119.15 2jk8 h ARG 141 Ca -0.46 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.35 2jk8 h ARG 141 Cb 1.31 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 2jk8 h ARG 141 CO 0.59 0.84 0.21 0.93 -1.07 0.00 0.00 179.97 181.47 2jk8 h GLU 142 N 0.68 0.47 -0.48 0.04 5.08 -1.98 0.14 114.58 118.51 2jk8 h GLU 142 Ca 0.14 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 2jk8 h GLU 142 Cb 0.45 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 2jk8 h GLU 142 CO 0.02 0.35 0.28 0.93 -1.00 0.00 0.00 179.01 179.58 2jk8 h GLU 143 N 0.45 0.53 -0.18 2.33 5.08 -1.88 -0.48 114.58 120.43 2jk8 h GLU 143 Ca 0.12 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2jk8 h GLU 143 Cb -0.01 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2jk8 h GLU 143 CO -0.02 0.35 -0.02 0.35 -1.00 0.00 0.00 179.01 178.67 2jk8 h PHE 144 N 0.55 0.37 -0.85 4.33 3.57 -0.68 -2.64 116.94 121.60 2jk8 h PHE 144 Ca 0.20 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2jk8 h PHE 144 Cb 0.05 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 2jk8 h PHE 144 CO -0.08 0.57 0.54 -0.91 -2.23 0.00 0.00 178.31 176.20 2jk8 h ASN 145 N 0.07 1.00 -0.15 0.41 2.35 -0.58 0.17 115.58 118.85 2jk8 h ASN 145 Ca 0.05 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2jk8 h ASN 145 Cb 0.43 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2jk8 h ASN 145 CO 0.01 0.74 0.07 -1.28 -1.65 0.00 0.00 177.43 175.32 2jk8 h SER 146 N 1.16 0.19 -0.39 5.81 0.87 -1.00 -1.62 113.55 118.57 2jk8 h SER 146 Ca 0.31 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 2jk8 h SER 146 Cb -0.09 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 2jk8 h SER 146 CO -0.06 0.27 0.03 -0.33 -0.53 0.00 0.00 176.83 176.20 2jk8 h GLU 147 N 0.11 0.66 -0.93 2.24 4.39 -1.33 -3.08 114.58 116.64 2jk8 h GLU 147 Ca 0.05 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2jk8 h GLU 147 Cb 0.13 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.66 2jk8 h GLU 147 CO -0.01 0.74 0.60 0.00 -1.16 0.00 0.00 179.01 179.18 2jk8 h ALA 148 N 0.89 1.18 -0.83 3.43 0.00 -0.92 -2.67 119.26 120.35 2jk8 h ALA 148 Ca 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2jk8 h ALA 148 Cb 0.43 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2jk8 h ALA 148 CO 0.01 0.61 0.40 0.82 0.00 0.00 0.00 179.25 181.09 2jk8 h ILE 149 N 1.27 1.26 0.40 0.00 2.04 -1.24 0.20 117.51 121.44 2jk8 h ILE 149 Ca 0.34 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 2jk8 h ILE 149 Cb -0.11 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 2jk8 h ILE 149 CO -0.07 0.31 -0.19 -0.33 0.00 0.00 0.00 178.15 177.86 2jk8 h GLU 150 N 1.18 -0.52 -0.73 2.37 5.08 -1.42 -1.18 114.58 119.35 2jk8 h GLU 150 Ca 0.29 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.72 2jk8 h GLU 150 Cb 0.11 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 2jk8 h GLU 150 CO -0.04 -0.34 0.45 -0.07 -1.00 0.00 0.00 179.01 178.02 2jk8 h LEU 151 N -0.55 0.73 -0.15 1.33 3.38 -1.23 -0.36 115.31 118.46 2jk8 h LEU 151 Ca -0.06 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2jk8 h LEU 151 Cb 0.42 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2jk8 h LEU 151 CO 0.09 0.49 0.07 0.15 0.09 0.00 0.00 178.44 179.34 2jk8 h PHE 152 N 0.87 0.21 -0.56 1.13 3.57 -0.47 -0.26 116.94 121.42 2jk8 h PHE 152 Ca 0.30 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.80 2jk8 h PHE 152 Cb 0.07 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2jk8 h PHE 152 CO -0.04 0.24 0.37 -0.91 -2.23 0.00 0.00 178.31 175.73 2jk8 h ASN 153 N 0.12 0.64 0.10 0.41 2.35 -1.04 -1.07 115.58 117.09 2jk8 h ASN 153 Ca 0.05 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2jk8 h ASN 153 Cb 0.10 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 2jk8 h ASN 153 CO -0.01 0.46 -0.29 -1.28 -1.65 0.00 0.00 177.43 174.66 2jk8 h SER 154 N 0.76 -0.84 0.10 5.81 0.87 -0.79 -2.05 113.55 117.41 2jk8 h SER 154 Ca 0.21 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.83 2jk8 h SER 154 Cb -0.08 0.32 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2jk8 h SER 154 CO -0.05 -0.38 -0.14 0.25 -0.53 0.00 0.00 176.83 175.98 2jk8 h LEU 155 N -0.50 0.09 -0.95 2.23 5.85 -0.94 -2.25 115.31 118.84 2jk8 h LEU 155 Ca 0.03 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2jk8 h LEU 155 Cb 0.54 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2jk8 h LEU 155 CO -0.18 0.24 0.24 -1.13 -0.34 0.00 0.00 178.44 177.27 2jk8 h ASN 156 N 0.09 0.92 1.50 1.25 -0.73 -0.71 -2.85 115.58 115.05 2jk8 h ASN 156 Ca 0.02 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.04 2jk8 h ASN 156 Cb 0.31 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.66 2jk8 h ASN 156 CO 0.02 0.84 -0.03 0.06 -0.37 0.00 0.00 177.43 177.95 2jk8 h GLN 157 N 0.98 0.00 0.03 6.67 -0.00 -0.78 -3.20 115.11 118.81 2jk8 h GLN 157 Ca 0.22 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.66 2jk8 h GLN 157 Cb 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.70 2jk8 h GLN 157 CO -0.01 0.00 -0.99 -0.07 -0.00 0.00 0.00 178.83 177.76 2jk8 h LEU 158 N 0.00 0.22 -3.67 0.06 3.38 -1.30 -2.30 115.31 111.71 2jk8 h LEU 158 Ca 0.00 -0.21 -0.51 0.00 0.09 0.00 0.00 57.88 57.25 2jk8 h LEU 158 Cb 0.76 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.45 2jk8 h LEU 158 CO 0.00 1.08 -0.97 1.57 0.09 0.00 0.00 178.44 180.20 2jk8 n HIS 159 N -3.56 -1.73 0.19 1.13 -0.00 -1.15 -4.36 115.22 105.75 2jk8 n HIS 159 Ca -0.04 0.37 0.04 0.00 0.46 0.00 0.00 57.72 58.56 2jk8 n HIS 159 Cb 0.89 -2.98 0.35 0.00 -0.12 0.00 0.00 29.99 28.12 2jk8 n HIS 159 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2jk8 h PRO 160 N -1.80 0.00 -6.25 1.57 0.13 -1.92 -3.43 132.00 120.30 2jk8 h PRO 160 Ca -0.66 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 63.85 2jk8 h PRO 160 Cb 1.38 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.41 2jk8 h PRO 160 CO 0.47 0.39 -0.62 -0.06 -0.23 0.00 0.00 178.00 177.95 2jk8 s PHE 161 N -3.80 3.09 0.36 1.56 0.08 -1.26 -1.74 117.98 116.26 2jk8 s PHE 161 Ca -0.01 0.01 0.09 0.00 0.12 0.00 0.00 56.93 57.13 2jk8 s PHE 161 Cb 0.12 -1.55 0.82 0.00 -0.57 0.00 0.00 43.02 41.84 2jk8 s PHE 161 CO 0.70 0.51 1.88 -0.09 -0.10 0.00 0.00 175.22 178.11 2jk8 h ARG 162 N 3.10 0.67 -2.71 0.44 9.65 -1.85 -3.44 114.38 120.23 2jk8 h ARG 162 Ca -0.47 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.32 2jk8 h ARG 162 Cb 1.17 -0.15 -0.15 0.00 -1.39 0.00 0.00 29.97 29.45 2jk8 h ARG 162 CO 0.63 0.44 0.13 -2.00 2.80 0.00 0.00 179.97 181.98 2jk8 s GLU 163 N -5.67 1.14 0.00 0.20 2.56 -1.26 -4.97 118.70 110.70 2jk8 s GLU 163 Ca -0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.97 54.63 2jk8 s GLU 163 Cb 0.22 0.52 0.00 0.00 2.00 0.00 0.00 34.13 36.87 2jk8 s GLU 163 CO 0.79 -0.44 0.00 0.41 -0.56 0.00 0.00 175.26 175.46 2jk8 n GLY 164 N 0.18 0.68 0.17 -1.50 0.00 -1.26 -4.98 105.19 98.48 2jk8 n GLY 164 Ca -0.18 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 0.48 0.45 1.61 2.35 -1.93 -3.16 115.58 115.37 2jk8 h ASN 165 Ca 0.00 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 2jk8 h ASN 165 Cb 0.00 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2jk8 h ASN 165 CO 0.00 0.48 -0.34 1.23 -1.65 0.00 0.00 177.43 177.16 2jk8 h GLY 166 N 0.44 -0.84 0.98 2.83 0.00 -1.99 0.29 103.07 104.78 2jk8 h GLY 166 Ca 0.12 0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.81 2jk8 h GLY 166 CO -0.01 -0.31 0.28 3.21 0.00 0.00 0.00 176.54 179.71 2jk8 h ARG 167 N -0.77 0.79 -0.18 4.80 3.08 -2.00 -0.69 114.38 119.42 2jk8 h ARG 167 Ca -0.04 -0.11 -0.21 0.00 0.07 0.00 0.00 59.98 59.69 2jk8 h ARG 167 Cb 0.66 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.57 2jk8 h ARG 167 CO 0.00 0.63 -0.72 1.79 -1.07 0.00 0.00 179.97 180.61 2jk8 h THR 168 N 0.75 1.28 -0.46 2.04 1.35 -1.47 -1.68 112.91 114.72 2jk8 h THR 168 Ca 0.19 -1.93 0.03 0.00 -0.55 0.00 0.00 66.41 64.15 2jk8 h THR 168 Cb 0.09 1.91 -0.04 0.00 -1.73 0.00 0.00 68.15 68.39 2jk8 h THR 168 CO -0.03 0.61 0.25 -0.61 -0.25 0.00 0.00 175.52 175.49 2jk8 h GLN 169 N 0.55 0.48 -0.71 4.72 4.15 -0.83 -0.62 115.11 122.85 2jk8 h GLN 169 Ca -0.04 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.37 2jk8 h GLN 169 Cb 1.34 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.89 2jk8 h GLN 169 CO 0.15 0.32 0.46 0.00 -1.93 0.00 0.00 178.83 177.83 2jk8 h ARG 170 N 0.49 0.92 0.01 1.69 3.08 -0.89 -2.68 114.38 117.00 2jk8 h ARG 170 Ca 0.19 -0.06 -0.20 0.00 0.07 0.00 0.00 59.98 59.99 2jk8 h ARG 170 Cb 0.07 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 2jk8 h ARG 170 CO -0.12 0.61 -0.91 1.25 -1.07 0.00 0.00 179.97 179.73 2jk8 h LEU 171 N 0.95 0.10 -0.78 3.04 7.12 -1.12 -1.49 115.31 123.12 2jk8 h LEU 171 Ca 0.26 -0.09 0.08 0.00 0.13 0.00 0.00 57.88 58.26 2jk8 h LEU 171 Cb -0.09 -0.03 -0.07 0.00 -0.53 0.00 0.00 40.66 39.94 2jk8 h LEU 171 CO -0.06 0.95 0.45 0.15 -0.13 0.00 0.00 178.44 179.80 2jk8 h PHE 172 N 0.04 0.82 0.11 1.25 3.57 -0.95 -2.54 116.94 119.24 2jk8 h PHE 172 Ca -0.03 0.03 -0.31 0.00 3.53 0.00 0.00 57.97 61.19 2jk8 h PHE 172 Cb 1.58 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 2jk8 h PHE 172 CO 0.01 0.36 -1.60 0.74 -2.23 0.00 0.00 178.31 175.60 2jk8 h PHE 173 N 0.78 0.44 -0.99 0.41 0.04 -1.34 -1.38 116.94 114.91 2jk8 h PHE 173 Ca 0.36 -0.32 0.10 0.00 2.80 0.00 0.00 57.97 60.91 2jk8 h PHE 173 Cb 0.28 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.33 2jk8 h PHE 173 CO -0.06 1.41 0.63 1.49 -0.60 0.00 0.00 178.31 181.18 2jk8 h GLU 174 N 0.07 1.01 0.07 1.51 4.81 -1.28 -1.36 114.58 119.40 2jk8 h GLU 174 Ca -0.27 -0.06 -0.25 0.00 -0.13 0.00 0.00 59.36 58.65 2jk8 h GLU 174 Cb 2.02 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 31.18 2jk8 h GLU 174 CO 0.15 0.67 -1.10 -0.91 -0.73 0.00 0.00 179.01 177.08 2jk8 h ASN 175 N 1.04 0.49 -0.02 1.04 2.35 -1.47 -2.79 115.58 116.22 2jk8 h ASN 175 Ca 0.46 -0.46 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2jk8 h ASN 175 Cb 0.37 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 2jk8 h ASN 175 CO -0.22 1.30 -0.02 0.25 -1.65 0.00 0.00 177.43 177.10 2jk8 h LEU 176 N 0.15 -0.06 -0.32 1.61 5.85 -0.94 -1.74 115.31 119.87 2jk8 h LEU 176 Ca -0.11 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.66 2jk8 h LEU 176 Cb 1.78 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.80 2jk8 h LEU 176 CO 0.19 -0.03 0.08 0.00 -0.34 0.00 0.00 178.44 178.34 2jk8 h ALA 177 N 1.00 0.34 -0.21 1.25 0.00 -1.32 -0.85 119.26 119.46 2jk8 h ALA 177 Ca 0.02 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2jk8 h ALA 177 Cb 0.05 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2jk8 h ALA 177 CO -0.04 -0.33 0.02 -0.22 0.00 0.00 0.00 179.25 178.68 2jk8 h LYS 178 N 0.20 0.09 -0.42 0.00 3.64 -1.34 -0.41 116.57 118.33 2jk8 h LYS 178 Ca 0.15 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2jk8 h LYS 178 Cb 0.15 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2jk8 h LYS 178 CO -0.18 0.06 0.23 0.00 -2.27 0.00 0.00 179.45 177.29 2jk8 h ALA 179 N 1.16 1.63 -0.09 5.00 0.00 -1.00 -2.72 119.26 123.24 2jk8 h ALA 179 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jk8 h ALA 179 Cb 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jk8 h ALA 179 CO -0.15 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.42 2jk8 n ALA 180 N -2.47 2.56 -0.77 0.00 0.00 -0.35 -4.90 120.51 114.58 2jk8 n ALA 180 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2jk8 n ALA 180 Cb 0.09 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 0.97 0.62 0.00 0.00 0.00 -0.88 -4.71 105.19 101.19 2jk8 n GLY 181 Ca 0.15 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.73 0.00 -4.17 1.61 8.25 -0.29 -5.02 115.22 112.87 2jk8 n HIS 182 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 2jk8 n HIS 182 Cb 0.04 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.03 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 -1.47 0.63 -0.43 -0.41 -0.21 -1.26 -3.60 119.66 112.90 2jk8 s GLN 183 Ca 0.00 -0.62 0.06 0.00 0.02 0.00 0.00 55.36 54.82 2jk8 s GLN 183 Cb 0.00 -0.53 0.21 0.00 1.00 0.00 0.00 33.01 33.69 2jk8 s GLN 183 CO 0.00 0.12 0.53 1.28 -2.12 0.00 0.00 175.29 175.10 2jk8 n LEU 184 N 1.97 -1.03 -4.57 2.90 4.77 -1.26 -4.14 117.00 115.65 2jk8 n LEU 184 Ca -0.19 -4.12 -0.28 0.00 -0.03 0.00 0.00 56.01 51.39 2jk8 n LEU 184 Cb 0.56 0.65 -0.05 0.00 -2.33 0.00 0.00 43.42 42.24 2jk8 n LEU 184 CO 0.22 1.96 1.40 0.20 -1.33 0.00 0.00 177.39 179.85 2jk8 s ASN 185 N -0.44 5.22 0.36 -1.43 -0.87 -1.14 -4.47 114.94 112.17 2jk8 s ASN 185 Ca 0.33 -1.01 0.27 0.00 -1.57 0.00 0.00 52.86 50.88 2jk8 s ASN 185 Cb 0.10 -2.57 1.11 0.00 -0.02 0.00 0.00 41.25 39.87 2jk8 s ASN 185 CO -0.15 -2.74 1.81 -0.26 -2.57 0.00 0.00 177.10 173.18 2jk8 h PHE 186 N 10.72 0.00 0.00 2.20 0.04 -1.90 -2.65 116.94 125.35 2jk8 h PHE 186 Ca 0.14 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 2jk8 h PHE 186 Cb 0.98 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.13 2jk8 h PHE 186 CO 1.22 0.00 -0.04 0.66 -0.60 0.00 0.00 178.31 179.56 2jk8 h SER 187 N 0.00 0.00 -0.07 2.17 4.64 -1.98 -2.17 113.55 116.15 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 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2jk8 h SER 187 CO 0.00 0.04 0.00 0.18 -0.87 0.00 0.00 176.83 176.18 2jk8 n LEU 188 N -3.29 0.99 -4.53 5.97 4.77 -1.00 -4.81 117.00 115.10 2jk8 n LEU 188 Ca -0.02 -0.38 -0.34 0.00 -0.03 0.00 0.00 56.01 55.24 2jk8 n LEU 188 Cb 0.19 -0.04 -0.12 0.00 -2.33 0.00 0.00 43.42 41.12 2jk8 n LEU 188 CO 0.25 0.19 -0.34 -0.63 -1.33 0.00 0.00 177.39 175.53 2jk8 s ILE 189 N -1.92 3.98 0.79 -0.08 -1.09 -0.82 -4.96 121.20 117.10 2jk8 s ILE 189 Ca 0.35 -0.33 -0.12 0.00 -2.23 0.00 0.00 60.65 58.32 2jk8 s ILE 189 Cb 0.18 -2.73 0.06 0.00 -1.58 0.00 0.00 42.46 38.39 2jk8 s ILE 189 CO 0.28 0.51 1.11 0.42 -1.23 0.00 0.00 174.94 176.03 2jk8 s THR 190 N 0.16 2.97 0.39 2.92 -4.23 -1.26 -4.95 115.64 111.64 2jk8 s THR 190 Ca -0.01 0.32 0.09 0.00 -1.18 0.00 0.00 61.69 60.90 2jk8 s THR 190 Cb -0.14 -3.15 0.18 0.00 1.34 0.00 0.00 72.50 70.73 2jk8 s THR 190 CO 0.03 -0.41 1.94 0.11 -0.54 0.00 0.00 174.62 175.74 2jk8 h LYS 191 N -1.01 0.30 -0.15 3.99 1.57 -1.89 -2.99 116.57 116.38 2jk8 h LYS 191 Ca -0.47 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.19 2jk8 h LYS 191 Cb 1.28 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.54 2jk8 h LYS 191 CO 0.61 0.38 -0.15 1.49 -0.57 0.00 0.00 179.45 181.21 2jk8 h GLU 192 N 0.29 0.37 -0.71 3.15 4.57 -1.84 -2.37 114.58 118.05 2jk8 h GLU 192 Ca 0.06 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 2jk8 h GLU 192 Cb 0.30 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 2jk8 h GLU 192 CO 0.01 0.75 0.39 -0.09 -1.18 0.00 0.00 179.01 178.90 2jk8 h ARG 193 N 0.00 0.99 -0.75 1.92 2.43 -1.85 -1.52 114.38 115.59 2jk8 h ARG 193 Ca 0.02 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2jk8 h ARG 193 Cb 0.69 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 2jk8 h ARG 193 CO 0.04 0.73 0.47 0.52 -1.51 0.00 0.00 179.97 180.22 2jk8 h MET 194 N 0.98 1.01 -0.14 0.20 2.86 -1.54 -1.42 114.93 116.87 2jk8 h MET 194 Ca 0.25 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2jk8 h MET 194 Cb 0.03 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 2jk8 h MET 194 CO -0.04 0.70 0.03 1.98 1.06 0.00 0.00 176.91 180.64 2jk8 h MET 195 N 1.03 0.22 -0.56 1.72 1.85 -0.82 -0.86 114.93 117.51 2jk8 h MET 195 Ca 0.27 -0.05 -0.11 0.00 -0.61 0.00 0.00 59.70 59.20 2jk8 h MET 195 Cb -0.06 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 31.92 2jk8 h MET 195 CO -0.05 0.37 -0.09 0.28 -0.40 0.00 0.00 176.91 177.02 2jk8 h VAL 196 N 0.02 1.27 -0.24 -5.77 2.07 -1.13 0.34 116.25 112.81 2jk8 h VAL 196 Ca 0.04 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 2jk8 h VAL 196 Cb 0.25 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2jk8 h VAL 196 CO 0.00 0.45 0.06 0.00 0.02 0.00 0.00 177.57 178.09 2jk8 h ALA 197 N 0.94 0.32 -0.04 1.67 0.00 -1.22 -0.81 119.26 120.12 2jk8 h ALA 197 Ca 0.15 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jk8 h ALA 197 Cb 0.66 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2jk8 h ALA 197 CO 0.05 -0.03 0.02 0.77 0.00 0.00 0.00 179.25 180.06 2jk8 h SER 198 N 0.21 0.05 -0.96 0.00 0.02 -1.08 -2.64 113.55 109.15 2jk8 h SER 198 Ca 0.08 -0.07 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2jk8 h SER 198 Cb 0.28 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.75 2jk8 h SER 198 CO 0.00 0.11 0.63 0.58 -1.14 0.00 0.00 176.83 177.01 2jk8 h VAL 199 N -0.01 1.18 -0.84 2.27 2.07 -0.88 -1.42 116.25 118.62 2jk8 h VAL 199 Ca 0.01 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2jk8 h VAL 199 Cb 0.07 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.64 2jk8 h VAL 199 CO -0.00 0.22 0.53 0.00 0.02 0.00 0.00 177.57 178.34 2jk8 h ALA 200 N 1.43 1.06 -0.04 1.67 0.00 -0.95 -1.51 119.26 120.92 2jk8 h ALA 200 Ca 0.38 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.98 2jk8 h ALA 200 Cb -0.02 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.44 2jk8 h ALA 200 CO -0.11 0.50 -0.92 0.28 0.00 0.00 0.00 179.25 179.00 2jk8 h VAL 201 N 1.14 1.34 0.00 0.00 2.07 -1.06 -2.09 116.25 117.64 2jk8 h VAL 201 Ca 0.30 -2.26 -0.11 0.00 0.82 0.00 0.00 66.70 65.46 2jk8 h VAL 201 Cb -0.09 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2jk8 h VAL 201 CO -0.06 0.69 -0.51 0.00 0.02 0.00 0.00 177.57 177.71 2jk8 h ALA 202 N 0.63 0.82 0.00 1.67 0.00 -1.07 -2.20 119.26 119.11 2jk8 h ALA 202 Ca -0.08 -0.46 -0.31 0.00 0.00 0.00 0.00 54.91 54.05 2jk8 h ALA 202 Cb 1.55 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 2jk8 h ALA 202 CO 0.17 0.63 -1.88 -1.91 0.00 0.00 0.00 179.25 176.26 2jk8 n GLU 203 N -3.44 0.57 0.01 0.00 2.13 -0.59 -4.68 120.64 114.64 2jk8 n GLU 203 Ca 0.00 0.35 0.11 0.00 0.66 0.00 0.00 57.16 58.28 2jk8 n GLU 203 Cb 0.64 -1.56 -0.13 0.00 0.27 0.00 0.00 31.44 30.66 2jk8 n GLU 203 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2jk8 n ASN 204 N -4.35 0.22 -0.21 4.31 3.02 -0.81 -4.96 115.26 112.48 2jk8 n ASN 204 Ca -0.40 -0.06 -0.03 0.00 -0.03 0.00 0.00 54.58 54.06 2jk8 n ASN 204 Cb 0.74 1.66 -0.01 0.00 -0.61 0.00 0.00 39.78 41.56 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 1.28 0.60 3.61 7.41 0.00 -0.83 -5.01 105.19 112.24 2jk8 n GLY 205 Ca -0.02 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.73 6.69 0.04 1.61 -1.08 -1.03 -4.89 116.67 115.27 2jk8 s ASP 206 Ca 0.00 0.63 0.25 0.00 -0.52 0.00 0.00 52.55 52.91 2jk8 s ASP 206 Cb 0.00 -2.45 0.54 0.00 -1.46 0.00 0.00 42.92 39.55 2jk8 s ASP 206 CO 0.00 -0.77 1.45 0.18 0.52 0.00 0.00 175.17 176.54 2jk8 n LEU 207 N 6.57 0.51 0.06 -1.34 4.77 -1.26 -3.31 117.00 123.00 2jk8 n LEU 207 Ca 0.06 0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 56.06 2jk8 n LEU 207 Cb 0.48 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 2jk8 n LEU 207 CO 0.55 0.05 0.78 -0.33 -1.33 0.00 0.00 177.39 177.12 2jk8 h GLU 208 N 0.00 -0.22 -0.99 3.23 5.08 -1.97 -0.19 114.58 119.53 2jk8 h GLU 208 Ca 0.00 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.55 2jk8 h GLU 208 Cb 0.58 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.78 2jk8 h GLU 208 CO 0.00 -0.14 0.60 -1.35 -1.00 0.00 0.00 179.01 177.12 2jk8 h PRO 209 N -0.22 0.76 -0.18 2.33 0.11 -1.92 -0.79 132.00 132.09 2jk8 h PRO 209 Ca 0.04 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.96 2jk8 h PRO 209 Cb 0.27 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.21 2jk8 h PRO 209 CO -0.11 0.51 -0.45 0.52 -0.21 0.00 0.00 178.00 178.26 2jk8 h MET 210 N 0.79 0.62 -0.32 1.05 2.86 -1.56 -0.11 114.93 118.25 2jk8 h MET 210 Ca 0.56 -0.43 0.05 0.00 -2.06 0.00 0.00 59.70 57.82 2jk8 h MET 210 Cb 0.82 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.50 2jk8 h MET 210 CO -0.37 1.05 0.05 1.96 1.06 0.00 0.00 176.91 180.66 2jk8 h GLN 211 N 0.29 0.15 -0.51 1.72 4.20 -0.90 0.15 115.11 120.21 2jk8 h GLN 211 Ca -0.01 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.76 2jk8 h GLN 211 Cb 1.07 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.75 2jk8 h GLN 211 CO 0.10 0.10 0.19 1.25 -0.67 0.00 0.00 178.83 179.80 2jk8 h HIS 212 N 0.16 0.33 0.17 2.96 2.76 -1.08 0.50 115.15 120.96 2jk8 h HIS 212 Ca 0.15 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 2jk8 h HIS 212 Cb 0.17 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.06 2jk8 h HIS 212 CO -0.19 0.11 -0.08 1.25 -1.30 0.00 0.00 177.93 177.72 2jk8 h LEU 213 N 0.37 -0.19 -1.47 0.26 6.46 0.06 -1.48 115.31 119.32 2jk8 h LEU 213 Ca 0.25 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 2jk8 h LEU 213 Cb 0.26 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 2jk8 h LEU 213 CO -0.25 -0.03 -0.01 -0.26 -0.62 0.00 0.00 178.44 177.28 2jk8 h PHE 214 N -0.35 0.34 -0.21 1.25 0.04 -0.64 -2.20 116.94 115.16 2jk8 h PHE 214 Ca -0.02 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 2jk8 h PHE 214 Cb 0.27 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 2jk8 h PHE 214 CO -0.03 0.36 0.08 1.49 -0.60 0.00 0.00 178.31 179.61 2jk8 h GLU 215 N 0.33 0.32 -0.69 1.51 4.57 -0.49 -1.52 114.58 118.60 2jk8 h GLU 215 Ca 0.08 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 2jk8 h GLU 215 Cb 0.23 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 2jk8 h GLU 215 CO 0.01 0.38 0.24 -0.44 -1.18 0.00 0.00 179.01 178.01 2jk8 h ASP 216 N 0.18 0.96 1.55 1.04 5.19 -1.02 -1.81 116.42 122.52 2jk8 h ASP 216 Ca 0.07 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2jk8 h ASP 216 Cb 0.18 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.44 2jk8 h ASP 216 CO -0.01 0.88 0.00 0.40 -3.12 0.00 0.00 179.24 177.40 2jk8 h ILE 217 N 1.01 0.00 0.00 0.35 1.08 -1.27 -3.27 117.51 115.41 2jk8 h ILE 217 Ca 0.23 -0.69 -0.11 0.00 -0.39 0.00 0.00 64.86 63.90 2jk8 h ILE 217 Cb 0.25 1.66 -0.02 0.00 -3.07 0.00 0.00 36.82 35.64 2jk8 h ILE 217 CO -0.01 0.00 -1.41 -1.54 -0.69 0.00 0.00 178.15 174.50 2jk8 n SER 218 N -2.78 3.52 -4.64 1.72 3.41 -0.58 -2.87 113.62 111.40 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 0.43 0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 64.95 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 -3.80 6.56 0.37 4.04 3.84 -0.69 -4.66 114.94 120.59 2jk8 s ASN 219 Ca -0.03 1.65 0.08 0.00 0.21 0.00 0.00 52.86 54.77 2jk8 s ASN 219 Cb 0.02 -2.53 0.82 0.00 -0.55 0.00 0.00 41.25 39.00 2jk8 s ASN 219 CO 0.24 -1.10 1.92 -0.65 -2.79 0.00 0.00 177.10 174.72 2jk8 h PRO 220 N 9.91 0.66 0.00 0.43 0.11 -1.91 -0.01 132.00 141.18 2jk8 h PRO 220 Ca -0.32 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 2jk8 h PRO 220 Cb 1.14 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 2jk8 h PRO 220 CO 1.00 0.44 -0.13 1.49 -0.21 0.00 0.00 178.00 180.58 2jk8 h GLU 221 N 0.68 0.00 0.00 1.05 4.57 -1.96 -2.68 114.58 116.24 2jk8 h GLU 221 Ca 0.37 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 58.19 2jk8 h GLU 221 Cb 0.51 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.04 2jk8 h GLU 221 CO -0.14 0.13 -2.37 1.63 -1.18 0.00 0.00 179.01 177.08 2jk8 n LYS 222 N -3.72 0.69 -0.15 1.92 5.02 -0.53 -4.09 118.16 117.28 2jk8 n LYS 222 Ca -0.02 -0.02 -0.05 0.00 -2.02 0.00 0.00 58.31 56.20 2jk8 n LYS 222 Cb 0.25 -1.52 0.04 0.00 -0.02 0.00 0.00 35.03 33.77 2jk8 n LYS 222 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2jk8 h ILE 223 N 0.00 0.99 -0.59 -0.18 2.04 -0.94 -2.04 117.51 116.80 2jk8 h ILE 223 Ca -0.53 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2jk8 h ILE 223 Cb 2.20 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 2jk8 h ILE 223 CO 0.03 0.09 0.38 0.08 0.00 0.00 0.00 178.15 178.73 2jk8 h ARG 224 N 0.50 0.79 -0.29 2.37 0.11 -1.68 0.12 114.38 116.30 2jk8 h ARG 224 Ca 0.20 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 60.21 2jk8 h ARG 224 Cb 0.08 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 30.98 2jk8 h ARG 224 CO -0.13 0.53 0.13 -0.07 0.10 0.00 0.00 179.97 180.54 2jk8 h LEU 225 N 0.81 0.40 -0.36 0.08 3.38 -1.58 -2.46 115.31 115.57 2jk8 h LEU 225 Ca 0.22 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 2jk8 h LEU 225 Cb -0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2jk8 h LEU 225 CO -0.04 0.43 -0.15 -0.07 0.09 0.00 0.00 178.44 178.69 2jk8 h LEU 226 N 0.34 0.76 -0.45 1.67 3.38 -0.94 -2.75 115.31 117.32 2jk8 h LEU 226 Ca 0.10 -0.40 0.09 0.00 0.09 0.00 0.00 57.88 57.76 2jk8 h LEU 226 Cb 0.15 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 2jk8 h LEU 226 CO -0.01 0.99 -0.03 0.11 0.09 0.00 0.00 178.44 179.59 2jk8 h LYS 227 N 0.54 0.08 -0.33 1.13 1.57 -0.98 0.14 116.57 118.71 2jk8 h LYS 227 Ca 0.08 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 2jk8 h LYS 227 Cb 0.69 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 2jk8 h LYS 227 CO 0.05 0.05 0.06 1.49 -0.57 0.00 0.00 179.45 180.53 2jk8 h GLU 228 N 0.08 0.17 0.19 3.15 4.81 -1.39 -1.84 114.58 119.75 2jk8 h GLU 228 Ca 0.22 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 2jk8 h GLU 228 Cb 0.33 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2jk8 h GLU 228 CO -0.40 0.12 -0.09 0.35 -0.73 0.00 0.00 179.01 178.26 2jk8 h PHE 229 N 0.18 -0.24 -0.69 0.92 3.57 -1.05 -3.05 116.94 116.58 2jk8 h PHE 229 Ca 0.16 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.79 2jk8 h PHE 229 Cb 0.17 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 2jk8 h PHE 229 CO -0.18 0.08 0.47 0.52 -2.23 0.00 0.00 178.31 176.97 2jk8 h MET 230 N -0.57 0.32 -0.42 1.11 2.86 -0.71 0.25 114.93 117.77 2jk8 h MET 230 Ca -0.03 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.66 2jk8 h MET 230 Cb 0.42 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.95 2jk8 h MET 230 CO 0.04 0.21 0.09 1.25 1.06 0.00 0.00 176.91 179.56 2jk8 h HIS 231 N 0.33 0.14 0.00 -0.22 -0.00 -1.23 -2.60 115.15 111.57 2jk8 h HIS 231 Ca 0.33 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.73 2jk8 h HIS 231 Cb 0.85 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.26 2jk8 h HIS 231 CO -0.00 0.01 -0.01 1.79 -0.00 0.00 0.00 177.93 179.72 2jk8 h THR 232 N 0.22 0.15 0.00 6.26 1.35 -0.89 0.24 112.91 120.25 2jk8 h THR 232 Ca 0.21 -0.10 -0.03 0.00 -0.55 0.00 0.00 66.41 65.93 2jk8 h THR 232 Cb 0.25 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2jk8 h THR 232 CO -0.27 0.01 -0.16 0.24 -0.25 0.00 0.00 175.52 175.10 2jk8 h MET 233 N 0.00 0.00 -6.43 4.72 2.86 -1.47 -3.44 114.93 111.17 2jk8 h MET 233 Ca -0.00 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.09 2jk8 h MET 233 Cb 0.08 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.77 2jk8 h MET 233 CO 0.00 0.16 1.13 1.17 1.06 0.00 0.00 176.91 180.43 2jk8 n LYS 234 N -3.31 2.69 -1.47 1.72 4.81 0.84 -2.29 118.16 121.15 2jk8 n LYS 234 Ca 0.00 0.98 -0.16 0.00 -0.87 0.00 0.00 58.31 58.27 2jk8 n LYS 234 Cb 0.40 -2.88 -0.07 0.00 0.02 0.00 0.00 35.03 32.50 2jk8 n LYS 234 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2jk8 n ASN 235 N 6.24 -4.92 0.18 3.14 4.13 -1.26 -4.89 115.26 117.88 2jk8 n ASN 235 Ca 0.19 0.39 0.09 0.00 1.68 0.00 0.00 54.58 56.93 2jk8 n ASN 235 Cb 0.37 -3.83 0.10 0.00 -1.54 0.00 0.00 39.78 34.88 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 0.23 0.00 3.41 1.35 -1.75 -3.47 112.91 112.68 2jk8 h THR 236 Ca -0.33 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 2jk8 h THR 236 Cb 1.04 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.49 2jk8 h THR 236 CO 0.48 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 2jk8 n GLY 237 N 1.16 0.64 3.96 5.82 0.00 -1.26 -5.07 105.19 110.43 2jk8 n GLY 237 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 2jk8 n GLY 237 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jk8 s ARG 238 N -0.79 2.32 -0.30 1.61 6.06 -1.26 -5.10 118.95 121.49 2jk8 s ARG 238 Ca 0.00 -0.66 -0.01 0.00 -2.50 0.00 0.00 55.73 52.55 2jk8 s ARG 238 Cb 0.00 -2.37 0.12 0.00 0.06 0.00 0.00 34.95 32.77 2jk8 s ARG 238 CO 0.00 -0.97 0.24 1.21 -2.50 0.00 0.00 175.30 173.27 2jk8 s ASN 239 N -4.49 2.38 0.00 -2.12 3.84 -1.26 -5.00 114.94 108.29 2jk8 s ASN 239 Ca 0.59 -1.08 0.16 0.00 0.21 0.00 0.00 52.86 52.75 2jk8 s ASN 239 Cb -0.10 0.16 0.84 0.00 -0.55 0.00 0.00 41.25 41.60 2jk8 s ASN 239 CO 0.41 -0.39 1.47 0.52 -2.79 0.00 0.00 177.10 176.32 2jk8 n VAL 240 N 5.15 0.48 -0.24 -5.21 0.31 -1.26 -3.64 118.33 113.92 2jk8 n VAL 240 Ca -0.02 0.12 0.23 0.00 -0.01 0.00 0.00 64.34 64.67 2jk8 n VAL 240 Cb 0.44 -0.85 0.59 0.00 -0.91 0.00 0.00 33.84 33.11 2jk8 n VAL 240 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2jk8 h ASN 241 N 0.00 0.27 0.56 4.52 -0.26 -1.98 0.13 115.58 118.82 2jk8 h ASN 241 Ca 0.00 0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.75 2jk8 h ASN 241 Cb 0.14 -0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 37.39 2jk8 h ASN 241 CO 0.00 0.09 -0.13 0.44 -1.06 0.00 0.00 177.43 176.77 2jk8 h ASP 242 N 0.26 0.00 -3.37 5.81 5.19 -2.00 -3.09 116.42 119.22 2jk8 h ASP 242 Ca 0.48 0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 56.23 2jk8 h ASP 242 Cb 1.45 0.00 -0.28 0.00 0.18 0.00 0.00 39.33 40.68 2jk8 h ASP 242 CO -0.14 0.13 -0.78 -0.13 -3.12 0.00 0.00 179.24 175.20 2jk8 s ARG 243 N -3.99 3.28 0.02 3.56 0.52 0.44 -4.76 118.95 118.02 2jk8 s ARG 243 Ca -0.02 -0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 54.17 2jk8 s ARG 243 Cb 0.12 -2.56 -0.07 0.00 0.52 0.00 0.00 34.95 32.96 2jk8 s ARG 243 CO 0.58 0.23 1.57 -1.25 0.02 0.00 0.00 175.30 176.46 2jk8 s PRO 244 N 0.28 4.22 -0.18 3.54 0.05 -1.26 -4.79 135.00 136.86 2jk8 s PRO 244 Ca -0.11 2.19 -0.02 0.00 0.05 0.00 0.00 61.00 63.11 2jk8 s PRO 244 Cb -0.16 -3.66 -0.01 0.00 0.05 0.00 0.00 34.50 30.72 2jk8 s PRO 244 CO 0.06 -0.71 -0.08 0.08 0.05 0.00 0.00 177.00 176.40 2jk8 s VAL 245 N 2.83 3.25 0.06 -0.36 1.01 -1.26 -1.55 120.40 124.38 2jk8 s VAL 245 Ca 0.71 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2jk8 s VAL 245 Cb -0.36 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2jk8 s VAL 245 CO 0.30 0.47 -0.04 -0.04 0.00 0.00 0.00 175.10 175.79 2jk8 s MET 246 N 0.95 0.60 -0.10 2.72 -1.94 -0.06 -4.85 119.30 116.62 2jk8 s MET 246 Ca -0.01 -1.09 -0.14 0.00 -1.71 0.00 0.00 55.69 52.74 2jk8 s MET 246 Cb -0.15 0.03 -0.05 0.00 2.01 0.00 0.00 34.83 36.67 2jk8 s MET 246 CO -0.00 -0.06 0.35 0.08 -0.01 0.00 0.00 175.02 175.39 2jk8 s VAL 247 N -3.11 5.22 0.09 -6.03 1.01 -1.26 -0.08 120.40 116.24 2jk8 s VAL 247 Ca 0.02 0.69 -0.34 0.00 0.00 0.00 0.00 61.98 62.35 2jk8 s VAL 247 Cb 0.02 -3.68 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 2jk8 s VAL 247 CO -0.06 0.45 1.65 0.00 0.00 0.00 0.00 175.10 177.14 2jk8 n ALA 248 N 2.97 1.17 -1.77 5.51 0.00 -0.03 -4.85 120.51 123.51 2jk8 n ALA 248 Ca -0.12 0.41 -0.40 0.00 0.00 0.00 0.00 53.44 53.33 2jk8 n ALA 248 Cb 0.52 -2.38 -0.01 0.00 0.00 0.00 0.00 19.45 17.58 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 1.72 4.09 -0.07 0.00 1.02 -1.26 -4.95 119.74 120.29 2jk8 s LYS 249 Ca 0.83 2.12 -0.30 0.00 0.02 0.00 0.00 55.97 58.64 2jk8 s LYS 249 Cb -0.69 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 2jk8 s LYS 249 CO 0.42 -0.38 1.48 -1.21 -0.92 0.00 0.00 175.35 174.74 2jk8 s GLU 250 N -2.12 4.22 0.00 1.68 8.01 -1.26 -2.46 118.70 126.76 2jk8 s GLU 250 Ca 0.55 1.98 0.00 0.00 0.01 0.00 0.00 54.97 57.51 2jk8 s GLU 250 Cb -0.37 -3.82 0.00 0.00 -4.31 0.00 0.00 34.13 25.62 2jk8 s GLU 250 CO 0.48 -0.74 0.00 0.41 0.01 0.00 0.00 175.26 175.42 2jk8 n GLY 251 N 3.87 2.96 3.82 -1.39 0.00 -0.68 -4.96 105.19 108.79 2jk8 n GLY 251 Ca 0.15 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 3.14 -0.14 1.61 2.02 -1.03 -4.64 118.70 119.66 2jk8 s GLU 252 Ca 0.00 1.04 0.02 0.00 0.02 0.00 0.00 54.97 56.05 2jk8 s GLU 252 Cb 0.00 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.22 2jk8 s GLU 252 CO 0.00 -0.94 -0.19 0.99 0.02 0.00 0.00 175.26 175.13 2jk8 s THR 253 N -2.82 2.34 -0.02 3.63 2.01 -1.26 -2.07 115.64 117.45 2jk8 s THR 253 Ca 0.60 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.77 2jk8 s THR 253 Cb -0.14 -1.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 2jk8 s THR 253 CO 0.47 0.54 -0.22 -0.31 -0.69 0.00 0.00 174.62 174.41 2jk8 s TYR 254 N 0.69 2.46 -0.04 4.92 2.02 -0.51 -5.00 117.35 121.90 2jk8 s TYR 254 Ca -0.09 -0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.30 2jk8 s TYR 254 Cb -0.16 -1.53 0.01 0.00 -0.40 0.00 0.00 41.96 39.87 2jk8 s TYR 254 CO 0.01 0.06 -0.10 -0.08 -1.57 0.00 0.00 175.55 173.87 2jk8 s THR 255 N -0.68 0.89 0.00 -0.71 -1.32 -1.26 -1.52 115.64 111.04 2jk8 s THR 255 Ca 0.11 -0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.19 2jk8 s THR 255 Cb -0.10 -0.80 0.00 0.00 -1.51 0.00 0.00 72.50 70.09 2jk8 s THR 255 CO -0.00 0.28 0.00 0.61 -2.21 0.00 0.00 174.62 173.30 2jk8 n GLY 256 N 3.43 1.02 3.14 6.08 0.00 -1.04 -4.69 105.19 113.14 2jk8 n GLY 256 Ca -0.20 0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 0.91 1.47 0.03 2.61 -4.23 -1.08 -1.46 115.64 113.89 2jk8 s THR 257 Ca 0.00 -0.73 -0.30 0.00 -1.18 0.00 0.00 61.69 59.47 2jk8 s THR 257 Cb 0.00 -1.27 -0.06 0.00 1.34 0.00 0.00 72.50 72.51 2jk8 s THR 257 CO 0.00 0.42 1.38 -0.47 -0.54 0.00 0.00 174.62 175.41 2jk8 s TYR 258 N 0.07 2.98 -2.12 3.99 5.04 0.52 -1.72 117.35 126.11 2jk8 s TYR 258 Ca -0.05 0.89 0.19 0.00 -2.44 0.00 0.00 57.07 55.66 2jk8 s TYR 258 Cb -0.12 -3.65 0.29 0.00 0.35 0.00 0.00 41.96 38.83 2jk8 s TYR 258 CO 0.03 -2.33 1.23 0.54 -1.34 0.00 0.00 175.55 173.67 2jk8 n ARG 259 N 4.97 2.07 0.00 4.97 5.12 -0.42 0.02 116.66 133.39 2jk8 n ARG 259 Ca 0.12 -1.94 0.00 0.00 -1.93 0.00 0.00 57.85 54.11 2jk8 n ARG 259 Cb 0.44 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.33 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 1.15 2.46 3.96 -0.13 0.00 -1.25 -4.83 105.19 106.54 2jk8 n GLY 260 Ca 0.14 -1.80 -0.19 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.35 4.37 0.00 4.61 0.00 -1.26 -2.30 121.76 124.84 2jk8 s ALA 261 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.17 2jk8 s ALA 261 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.81 2jk8 s ALA 261 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.82 2jk8 n GLY 262 N -1.79 5.66 0.17 0.00 0.00 0.96 -4.93 105.19 105.26 2jk8 n GLY 262 Ca 0.07 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.27 0.06 0.99 3.38 -2.02 -3.38 115.31 114.07 2jk8 h LEU 263 Ca 0.00 -0.25 -0.29 0.00 0.09 0.00 0.00 57.88 57.43 2jk8 h LEU 263 Cb 0.00 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2jk8 h LEU 263 CO 0.00 0.23 -1.53 -0.33 0.09 0.00 0.00 178.44 176.90 2jk8 h GLU 264 N -0.91 0.12 -3.25 1.13 5.08 -1.98 -3.44 114.58 111.33 2jk8 h GLU 264 Ca -0.03 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2jk8 h GLU 264 Cb 0.50 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 2jk8 h GLU 264 CO 0.05 0.89 0.12 0.20 -1.00 0.00 0.00 179.01 179.28 2jk8 s GLY 265 N -5.02 0.31 0.48 -3.84 0.00 -1.26 -0.93 107.32 97.06 2jk8 s GLY 265 Ca -0.07 -0.66 0.02 0.00 0.00 0.00 0.00 44.72 44.01 2jk8 s GLY 265 CO 0.83 -0.35 0.08 -0.11 0.00 0.00 0.00 173.10 173.55 2jk8 s PHE 266 N -3.45 1.76 0.02 1.90 -0.12 -0.21 -0.03 117.98 117.86 2jk8 s PHE 266 Ca 0.17 -1.19 0.03 0.00 -0.05 0.00 0.00 56.93 55.89 2jk8 s PHE 266 Cb -0.04 -1.36 -0.02 0.00 -0.63 0.00 0.00 43.02 40.98 2jk8 s PHE 266 CO 0.10 -0.09 -0.09 0.00 -0.05 0.00 0.00 175.22 175.09 2jk8 s ALA 267 N -3.04 0.70 0.46 1.99 0.00 -0.97 -2.55 121.76 118.35 2jk8 s ALA 267 Ca 0.11 -0.58 0.06 0.00 0.00 0.00 0.00 51.96 51.55 2jk8 s ALA 267 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 2jk8 s ALA 267 CO 0.08 0.10 0.21 -0.51 0.00 0.00 0.00 175.76 175.64 2jk8 s LEU 268 N -0.90 2.88 -0.22 0.00 1.43 0.00 -1.30 118.68 120.57 2jk8 s LEU 268 Ca -0.02 -1.21 -0.01 0.00 -1.03 0.00 0.00 54.13 51.86 2jk8 s LEU 268 Cb -0.06 -1.27 0.06 0.00 0.03 0.00 0.00 46.19 44.95 2jk8 s LEU 268 CO 0.00 -0.74 -0.01 0.21 0.23 0.00 0.00 176.35 176.04 2jk8 s ASN 269 N -4.00 3.48 -0.39 2.29 2.47 -0.70 -3.45 114.94 114.64 2jk8 s ASN 269 Ca 0.34 -1.07 0.03 0.00 0.42 0.00 0.00 52.86 52.58 2jk8 s ASN 269 Cb 0.02 -0.93 0.11 0.00 -1.45 0.00 0.00 41.25 39.00 2jk8 s ASN 269 CO 0.19 -0.28 0.12 -0.69 -3.72 0.00 0.00 177.10 172.73 2jk8 s VAL 270 N 1.59 2.51 -1.25 -5.21 1.01 -0.35 -2.62 120.40 116.08 2jk8 s VAL 270 Ca -0.03 -2.51 -0.10 0.00 0.00 0.00 0.00 61.98 59.35 2jk8 s VAL 270 Cb -0.18 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 2jk8 s VAL 270 CO -0.08 -0.66 0.67 0.29 0.00 0.00 0.00 175.10 175.32 2jk8 n LYS 271 N 4.06 -2.70 -0.93 2.72 5.02 -1.26 -2.57 118.16 122.49 2jk8 n LYS 271 Ca 0.04 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 2jk8 n LYS 271 Cb 0.40 -4.55 0.00 0.00 -0.02 0.00 0.00 35.03 30.86 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 -1.73 0.71 3.37 0.72 0.00 -1.26 -5.03 105.19 101.97 2jk8 n GLY 272 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.78 2.39 -0.29 4.61 0.00 -1.06 -4.33 121.76 120.29 2jk8 s ALA 273 Ca 0.00 -1.03 -0.20 0.00 0.00 0.00 0.00 51.96 50.73 2jk8 s ALA 273 Cb 0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 2jk8 s ALA 273 CO 0.00 0.49 0.61 0.71 0.00 0.00 0.00 175.76 177.58 2jk8 s TYR 274 N -0.48 3.24 -0.13 0.00 2.02 -0.59 -1.22 117.35 120.18 2jk8 s TYR 274 Ca 0.06 0.64 -0.09 0.00 -0.37 0.00 0.00 57.07 57.31 2jk8 s TYR 274 Cb -0.12 -2.92 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 2jk8 s TYR 274 CO 0.01 -0.41 0.18 0.42 -1.57 0.00 0.00 175.55 174.18 2jk8 s ILE 275 N 2.54 5.42 -0.05 2.71 -1.09 -1.22 -0.88 121.20 128.63 2jk8 s ILE 275 Ca 0.25 0.30 0.06 0.00 -2.23 0.00 0.00 60.65 59.03 2jk8 s ILE 275 Cb -0.15 -3.47 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 2jk8 s ILE 275 CO 0.11 0.54 -0.23 -0.63 -1.23 0.00 0.00 174.94 173.50 2jk8 s ILE 276 N -0.51 2.28 0.08 2.92 1.01 0.89 -0.82 121.20 127.04 2jk8 s ILE 276 Ca 0.14 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.81 2jk8 s ILE 276 Cb -0.12 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 2jk8 s ILE 276 CO 0.03 0.57 -0.08 -0.83 0.00 0.00 0.00 174.94 174.63 2jk8 s GLY 277 N -0.37 0.70 0.22 6.18 0.00 -1.06 -0.85 107.32 112.14 2jk8 s GLY 277 Ca 0.03 -1.08 -0.30 0.00 0.00 0.00 0.00 44.72 43.37 2jk8 s GLY 277 CO 0.02 -1.15 1.21 0.21 0.00 0.00 0.00 173.10 173.39 2jk8 s ASN 278 N -2.30 7.05 0.46 1.64 3.04 -1.26 -1.05 114.94 122.51 2jk8 s ASN 278 Ca 0.02 2.33 0.13 0.00 0.04 0.00 0.00 52.86 55.37 2jk8 s ASN 278 Cb -0.03 -2.62 1.03 0.00 -1.54 0.00 0.00 41.25 38.10 2jk8 s ASN 278 CO -0.01 -0.37 2.04 -0.29 -3.04 0.00 0.00 177.10 175.42 2jk8 h ILE 279 N 3.54 1.09 0.00 -5.21 2.10 -1.34 -1.99 117.51 115.70 2jk8 h ILE 279 Ca -0.45 -0.39 0.00 0.00 1.08 0.00 0.00 64.86 65.10 2jk8 h ILE 279 Cb 1.21 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 38.04 2jk8 h ILE 279 CO 0.72 0.12 0.00 0.47 -1.08 0.00 0.00 178.15 178.38 2jk8 n ASP 280 N -4.41 0.00 -0.01 2.19 8.00 -1.26 -2.41 116.55 118.65 2jk8 n ASP 280 Ca -0.02 0.33 0.13 0.00 0.71 0.00 0.00 54.79 55.95 2jk8 n ASP 280 Cb 0.17 -0.43 0.40 0.00 -0.02 0.00 0.00 41.12 41.24 2jk8 n ASP 280 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2jk8 n HIS 281 N -1.43 0.00 -2.72 1.24 8.25 -0.75 -4.86 115.22 114.95 2jk8 n HIS 281 Ca 0.07 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.15 2jk8 n HIS 281 Cb 0.23 -0.33 -0.06 0.00 1.12 0.00 0.00 29.99 30.96 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 -2.95 4.39 0.11 2.41 1.43 -1.01 -4.95 118.68 118.11 2jk8 s LEU 282 Ca 0.14 1.92 -0.31 0.00 -1.03 0.00 0.00 54.13 54.85 2jk8 s LEU 282 Cb 0.18 -3.93 -0.11 0.00 0.03 0.00 0.00 46.19 42.37 2jk8 s LEU 282 CO 0.62 -0.09 1.86 -2.65 0.23 0.00 0.00 176.35 176.32 2jk8 n PRO 283 N 0.71 2.81 -0.47 1.29 -0.02 -1.26 -4.86 135.00 133.20 2jk8 n PRO 283 Ca 0.01 1.02 0.39 0.00 -2.02 0.00 0.00 63.50 62.90 2jk8 n PRO 283 Cb 0.49 -2.93 0.67 0.00 -0.02 0.00 0.00 33.50 31.72 2jk8 n PRO 283 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2jk8 h PRO 284 N 8.81 0.07 0.00 0.52 0.11 -1.94 -0.49 132.00 139.09 2jk8 h PRO 284 Ca -0.47 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 2jk8 h PRO 284 Cb 1.22 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2jk8 h PRO 284 CO 0.95 0.05 -0.71 0.93 -0.21 0.00 0.00 178.00 179.00 2jk8 h GLU 285 N 0.07 0.00 0.15 1.05 5.08 -2.02 -3.29 114.58 115.63 2jk8 h GLU 285 Ca 0.82 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 59.17 2jk8 h GLU 285 Cb 2.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.95 2jk8 h GLU 285 CO -0.35 0.38 -0.07 1.96 -1.00 0.00 0.00 179.01 179.93 2jk8 h GLN 286 N 0.00 -0.19 -1.17 2.33 4.20 -1.46 -3.26 115.11 115.54 2jk8 h GLN 286 Ca -0.04 0.01 0.34 0.00 0.06 0.00 0.00 58.65 59.02 2jk8 h GLN 286 Cb 1.38 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 29.10 2jk8 h GLN 286 CO 0.05 0.14 0.76 1.25 -0.67 0.00 0.00 178.83 180.37 2jk8 h LEU 287 N -0.56 0.32 -0.12 1.46 6.46 -1.59 -1.62 115.31 119.66 2jk8 h LEU 287 Ca -0.02 0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.84 2jk8 h LEU 287 Cb 0.43 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 2jk8 h LEU 287 CO 0.03 -0.03 0.07 0.11 -0.62 0.00 0.00 178.44 178.01 2jk8 h LYS 288 N 0.23 0.17 -2.30 1.25 1.57 -1.63 -3.30 116.57 112.57 2jk8 h LYS 288 Ca 0.69 -0.02 -0.64 0.00 -1.87 0.00 0.00 60.65 58.80 2jk8 h LYS 288 Cb 2.02 -0.04 -0.38 0.00 0.08 0.00 0.00 32.23 33.91 2jk8 h LYS 288 CO -0.32 0.17 -0.25 -0.89 -0.57 0.00 0.00 179.45 177.59 2jk8 n ILE 289 N -4.97 3.60 -3.68 1.86 5.41 -0.62 -4.97 119.36 115.99 2jk8 n ILE 289 Ca -0.05 -5.60 -0.29 0.00 1.00 0.00 0.00 62.75 57.81 2jk8 n ILE 289 Cb 0.06 -1.63 -0.15 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 -3.36 1.63 0.40 1.39 2.96 -1.15 -4.98 118.68 115.55 2jk8 s LEU 290 Ca 0.44 -1.42 0.02 0.00 -0.22 0.00 0.00 54.13 52.95 2jk8 s LEU 290 Cb 0.22 -0.69 -0.01 0.00 0.50 0.00 0.00 46.19 46.21 2jk8 s LEU 290 CO -0.09 -0.40 0.59 -0.54 -1.32 0.00 0.00 176.35 174.58 2jk8 s LYS 291 N 1.78 3.17 0.06 1.98 1.02 -1.26 -5.01 119.74 121.48 2jk8 s LYS 291 Ca 0.08 -0.59 -0.31 0.00 0.02 0.00 0.00 55.97 55.17 2jk8 s LYS 291 Cb -0.17 -2.65 -0.08 0.00 -0.52 0.00 0.00 37.83 34.41 2jk8 s LYS 291 CO -0.26 -0.09 1.58 -2.14 -0.92 0.00 0.00 175.35 173.53 2jk8 s PRO 292 N -4.40 4.22 0.00 -1.68 0.02 -1.26 -2.40 135.00 129.51 2jk8 s PRO 292 Ca 0.45 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.71 2jk8 s PRO 292 Cb -0.10 -3.55 0.00 0.00 0.02 0.00 0.00 34.50 30.87 2jk8 s PRO 292 CO 0.36 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 2jk8 n GLY 293 N 3.88 1.10 3.74 0.52 0.00 0.10 -4.96 105.19 109.57 2jk8 n GLY 293 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2jk8 n GLY 293 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jk8 s ASP 294 N -1.82 6.70 0.03 1.61 1.11 -1.01 -4.51 116.67 118.78 2jk8 s ASP 294 Ca 0.00 2.62 -0.30 0.00 0.18 0.00 0.00 52.55 55.05 2jk8 s ASP 294 Cb 0.00 -2.62 -0.06 0.00 1.07 0.00 0.00 42.92 41.31 2jk8 s ASP 294 CO 0.00 -0.66 1.32 -0.54 1.18 0.00 0.00 175.17 176.47 2jk8 s LYS 295 N -0.39 4.33 -0.01 8.23 1.02 -1.26 -0.36 119.74 131.31 2jk8 s LYS 295 Ca 0.58 1.89 0.00 0.00 0.02 0.00 0.00 55.97 58.47 2jk8 s LYS 295 Cb -0.41 -3.46 0.01 0.00 -0.52 0.00 0.00 37.83 33.45 2jk8 s LYS 295 CO 0.43 -0.46 0.01 0.96 -0.92 0.00 0.00 175.35 175.36 2jk8 s ILE 296 N 1.84 0.03 -0.04 2.17 -4.36 -0.54 -4.95 121.20 115.35 2jk8 s ILE 296 Ca 0.62 0.06 -0.13 0.00 -0.26 0.00 0.00 60.65 60.93 2jk8 s ILE 296 Cb -0.31 -0.09 -0.05 0.00 1.25 0.00 0.00 42.46 43.26 2jk8 s ILE 296 CO 0.27 0.05 0.35 -0.89 0.24 0.00 0.00 174.94 174.96 2jk8 s THR 297 N 0.44 5.16 0.02 8.37 2.01 -1.26 -2.49 115.64 127.89 2jk8 s THR 297 Ca -0.04 0.69 0.02 0.00 0.31 0.00 0.00 61.69 62.67 2jk8 s THR 297 Cb -0.06 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 2jk8 s THR 297 CO -0.01 0.56 -0.06 0.12 -0.69 0.00 0.00 174.62 174.53 2jk8 s PHE 298 N -0.86 0.57 -0.09 4.92 5.36 -0.57 -5.03 117.98 122.28 2jk8 s PHE 298 Ca 0.21 -0.31 -0.00 0.00 -0.96 0.00 0.00 56.93 55.87 2jk8 s PHE 298 Cb -0.15 -0.35 0.02 0.00 -0.34 0.00 0.00 43.02 42.20 2jk8 s PHE 298 CO 0.10 -0.05 -0.06 0.99 -1.46 0.00 0.00 175.22 174.75 2jk8 s THR 299 N -0.81 0.81 0.12 0.12 2.01 -1.26 -1.42 115.64 115.21 2jk8 s THR 299 Ca -0.05 -0.18 -0.31 0.00 0.31 0.00 0.00 61.69 61.47 2jk8 s THR 299 Cb -0.06 -0.85 -0.08 0.00 0.01 0.00 0.00 72.50 71.52 2jk8 s THR 299 CO 0.00 0.32 1.34 0.00 -0.69 0.00 0.00 174.62 175.59 2jk8 s ALA 300 N 1.59 3.54 1.13 7.40 0.00 -0.88 -4.98 121.76 129.56 2jk8 s ALA 300 Ca 0.01 1.06 -0.18 0.00 0.00 0.00 0.00 51.96 52.85 2jk8 s ALA 300 Cb -0.13 -3.51 0.26 0.00 0.00 0.00 0.00 23.12 19.75 2jk8 s ALA 300 CO -0.05 -0.56 1.19 -1.25 0.00 0.00 0.00 175.76 175.09 2jk8 s PRO 301 N 0.84 -0.67 0.00 0.00 0.04 -1.26 -1.69 135.00 132.26 2jk8 s PRO 301 Ca 0.62 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.43 2jk8 s PRO 301 Cb -0.35 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2jk8 s PRO 301 CO 0.32 -3.32 0.05 0.36 0.04 0.00 0.00 177.00 174.45