#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jcj s MET 1 N 0.00 3.70 0.13 1.57 -2.45 -1.26 -5.03 119.30 115.97 1jcj s MET 1 Ca 0.00 1.94 0.02 0.00 -1.25 0.00 0.00 55.69 56.40 1jcj s MET 1 Cb 0.00 -2.47 -0.04 0.00 1.25 0.00 0.00 34.83 33.57 1jcj s MET 1 CO 0.00 -0.64 -0.04 0.95 1.05 0.00 0.00 175.02 176.33 1jcj s THR 2 N -1.43 0.75 0.26 10.11 -4.23 -1.26 -5.05 115.64 114.79 1jcj s THR 2 Ca 0.63 -1.97 -0.05 0.00 -1.18 0.00 0.00 61.69 59.13 1jcj s THR 2 Cb -0.33 -1.88 0.26 0.00 1.34 0.00 0.00 72.50 71.90 1jcj s THR 2 CO 0.40 -0.70 1.92 0.44 -0.54 0.00 0.00 174.62 176.14 1jcj h ASP 3 N 2.83 1.11 -0.16 3.99 5.19 -1.99 -1.12 116.42 126.27 1jcj h ASP 3 Ca -0.36 -0.02 -0.13 0.00 -0.62 0.00 0.00 57.03 55.90 1jcj h ASP 3 Cb 1.18 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.42 1jcj h ASP 3 CO 0.64 0.77 -0.35 0.25 -3.12 0.00 0.00 179.24 177.43 1jcj h LEU 4 N 1.29 0.71 -0.34 1.55 5.85 -1.98 -0.86 115.31 121.53 1jcj h LEU 4 Ca 0.38 -0.30 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 1jcj h LEU 4 Cb -0.06 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1jcj h LEU 4 CO -0.11 1.00 -0.12 0.11 -0.34 0.00 0.00 178.44 178.98 1jcj h LYS 5 N 0.57 0.68 -0.29 1.25 1.57 -1.76 -0.52 116.57 118.08 1jcj h LYS 5 Ca 0.06 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1jcj h LYS 5 Cb 0.87 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 1jcj h LYS 5 CO 0.08 0.87 0.13 0.00 -0.57 0.00 0.00 179.45 179.96 1jcj h ALA 6 N 0.79 0.37 -0.57 3.86 0.00 -1.00 -1.86 119.26 120.86 1jcj h ALA 6 Ca 0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1jcj h ALA 6 Cb 0.64 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1jcj h ALA 6 CO 0.04 -0.05 0.12 1.03 0.00 0.00 0.00 179.25 180.39 1jcj h SER 7 N 0.32 0.84 -0.19 0.00 0.87 -1.10 -2.61 113.55 111.68 1jcj h SER 7 Ca 0.10 -0.16 -0.14 0.00 -1.23 0.00 0.00 61.79 60.36 1jcj h SER 7 Cb 0.15 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1jcj h SER 7 CO -0.01 0.83 -0.37 0.28 -0.53 0.00 0.00 176.83 177.03 1jcj h SER 8 N 0.85 0.76 -0.45 6.23 0.02 -0.75 0.22 113.55 120.42 1jcj h SER 8 Ca 0.18 -0.33 -0.13 0.00 -0.84 0.00 0.00 61.79 60.68 1jcj h SER 8 Cb 0.34 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1jcj h SER 8 CO 0.00 1.04 -0.22 0.25 -1.14 0.00 0.00 176.83 176.77 1jcj h LEU 9 N 0.59 0.98 -0.24 5.07 5.85 -1.24 -1.13 115.31 125.19 1jcj h LEU 9 Ca 0.06 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.39 1jcj h LEU 9 Cb 0.90 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1jcj h LEU 9 CO 0.08 1.16 0.12 0.03 -0.34 0.00 0.00 178.44 179.49 1jcj h ARG 10 N 0.79 0.25 -0.73 1.25 3.08 -1.23 -2.19 114.38 115.59 1jcj h ARG 10 Ca 0.10 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1jcj h ARG 10 Cb 0.79 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 1jcj h ARG 10 CO 0.07 0.16 0.31 0.00 -1.07 0.00 0.00 179.97 179.44 1jcj h ALA 11 N 1.12 1.18 -0.09 0.04 0.00 -0.79 -1.82 119.26 118.89 1jcj h ALA 11 Ca 0.10 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1jcj h ALA 11 Cb 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1jcj h ALA 11 CO -0.06 0.61 -0.01 1.25 0.00 0.00 0.00 179.25 181.03 1jcj h LEU 12 N 1.05 -0.06 -0.84 0.00 6.46 -0.97 -1.97 115.31 118.98 1jcj h LEU 12 Ca 0.25 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.03 1jcj h LEU 12 Cb 0.16 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 1jcj h LEU 12 CO -0.03 -0.02 0.00 0.11 -0.62 0.00 0.00 178.44 177.89 1jcj h LYS 13 N 0.01 0.00 -0.31 1.25 1.57 -0.99 -2.23 116.57 115.87 1jcj h LYS 13 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1jcj h LYS 13 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1jcj h LYS 13 CO -0.08 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.08 1jcj n LEU 14 N -2.31 3.33 -4.76 2.94 4.77 -0.72 -3.05 117.00 117.20 1jcj n LEU 14 Ca 0.02 -1.41 -0.40 0.00 -0.03 0.00 0.00 56.01 54.19 1jcj n LEU 14 Cb 0.22 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 1jcj n LEU 14 CO 0.19 0.69 0.71 -0.04 -1.33 0.00 0.00 177.39 177.61 1jcj s MET 15 N -1.55 4.74 -0.82 3.23 -1.94 -0.79 -1.52 119.30 120.65 1jcj s MET 15 Ca 0.35 1.62 -0.16 0.00 -1.71 0.00 0.00 55.69 55.79 1jcj s MET 15 Cb 0.22 -3.20 0.17 0.00 2.01 0.00 0.00 34.83 34.02 1jcj s MET 15 CO 0.30 0.36 0.87 -0.51 -0.01 0.00 0.00 175.02 176.04 1jcj s ASP 16 N -1.08 6.62 -0.19 3.03 1.11 0.34 -1.30 116.67 125.21 1jcj s ASP 16 Ca 0.43 -2.28 -0.29 0.00 0.18 0.00 0.00 52.55 50.59 1jcj s ASP 16 Cb -0.28 -2.29 -0.01 0.00 1.07 0.00 0.00 42.92 41.41 1jcj s ASP 16 CO 0.36 -0.82 1.32 -0.22 1.18 0.00 0.00 175.17 176.98 1jcj s LEU 17 N 1.38 4.11 0.00 1.23 2.96 -0.36 -2.42 118.68 125.59 1jcj s LEU 17 Ca 0.21 1.62 0.05 0.00 -0.22 0.00 0.00 54.13 55.80 1jcj s LEU 17 Cb -0.11 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 1jcj s LEU 17 CO -0.07 -0.87 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.07 1jcj s THR 18 N 3.82 3.12 -0.08 3.68 2.01 -0.36 -0.83 115.64 126.99 1jcj s THR 18 Ca 0.57 -0.93 -0.02 0.00 0.31 0.00 0.00 61.69 61.62 1jcj s THR 18 Cb -0.22 -2.30 0.04 0.00 0.01 0.00 0.00 72.50 70.03 1jcj s THR 18 CO 0.18 0.43 0.05 0.28 -0.69 0.00 0.00 174.62 174.86 1jcj s THR 19 N -0.89 0.10 -0.45 -0.82 -1.32 -0.52 -4.16 115.64 107.57 1jcj s THR 19 Ca 0.14 0.15 0.06 0.00 -1.21 0.00 0.00 61.69 60.84 1jcj s THR 19 Cb -0.11 -0.41 0.22 0.00 -1.51 0.00 0.00 72.50 70.69 1jcj s THR 19 CO 0.05 0.09 0.50 0.18 -2.21 0.00 0.00 174.62 173.23 1jcj n LEU 20 N 5.23 0.62 -4.32 9.08 4.77 -1.26 -4.16 117.00 126.96 1jcj n LEU 20 Ca -0.05 -4.73 -0.26 0.00 -0.03 0.00 0.00 56.01 50.93 1jcj n LEU 20 Cb 0.50 0.36 -0.13 0.00 -2.33 0.00 0.00 43.42 41.81 1jcj n LEU 20 CO 0.09 1.99 -0.54 0.20 -1.33 0.00 0.00 177.39 177.80 1jcj s ASN 21 N -1.02 2.84 0.43 -1.43 0.01 -1.26 -5.02 114.94 109.50 1jcj s ASN 21 Ca 0.34 -0.67 0.15 0.00 -0.71 0.00 0.00 52.86 51.98 1jcj s ASN 21 Cb 0.12 -0.19 1.06 0.00 0.41 0.00 0.00 41.25 42.64 1jcj s ASN 21 CO -0.13 0.14 1.95 0.44 -1.51 0.00 0.00 177.10 177.99 1jcj h ASP 22 N 4.23 0.36 -0.53 -1.22 3.32 -2.07 -1.77 116.42 118.74 1jcj h ASP 22 Ca -0.47 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1jcj h ASP 22 Cb 1.17 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1jcj h ASP 22 CO 0.41 0.20 0.00 -0.90 -1.72 0.00 0.00 179.24 177.23 1jcj n ASP 23 N -4.47 5.29 -4.75 6.45 5.75 -1.26 -4.96 116.55 118.60 1jcj n ASP 23 Ca 0.12 -2.82 -0.35 0.00 -0.01 0.00 0.00 54.79 51.73 1jcj n ASP 23 Cb 0.47 -0.66 0.05 0.00 -1.03 0.00 0.00 41.12 39.95 1jcj n ASP 23 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1jcj s ASP 24 N -0.72 4.92 0.24 -1.12 1.01 -0.67 -5.03 116.67 115.31 1jcj s ASP 24 Ca 0.50 2.34 0.01 0.00 0.71 0.00 0.00 52.55 56.11 1jcj s ASP 24 Cb 0.38 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 1jcj s ASP 24 CO 0.15 -1.77 0.15 0.42 0.21 0.00 0.00 175.17 174.33 1jcj s THR 25 N -1.77 0.12 0.21 -1.27 -4.23 -1.26 -5.04 115.64 102.40 1jcj s THR 25 Ca 0.76 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 59.18 1jcj s THR 25 Cb -0.29 -2.52 0.15 0.00 1.34 0.00 0.00 72.50 71.18 1jcj s THR 25 CO 0.37 0.00 1.80 0.44 -0.54 0.00 0.00 174.62 176.69 1jcj h ASP 26 N 2.48 0.50 -0.85 3.99 3.32 -1.99 -1.31 116.42 122.57 1jcj h ASP 26 Ca -0.35 0.04 0.03 0.00 0.02 0.00 0.00 57.03 56.77 1jcj h ASP 26 Cb 1.25 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 1jcj h ASP 26 CO 0.52 0.32 0.55 -0.33 -1.72 0.00 0.00 179.24 178.57 1jcj h GLU 27 N 0.64 1.04 -0.52 3.56 3.07 -1.99 0.15 114.58 120.54 1jcj h GLU 27 Ca 0.31 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.99 1jcj h GLU 27 Cb 0.24 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1jcj h GLU 27 CO -0.21 0.69 -0.14 0.87 -1.40 0.00 0.00 179.01 178.82 1jcj h LYS 28 N 1.07 1.00 -0.40 2.33 1.57 -1.86 -1.57 116.57 118.71 1jcj h LYS 28 Ca 0.33 -0.38 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 1jcj h LYS 28 Cb -0.02 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1jcj h LYS 28 CO -0.11 1.06 -0.31 0.28 -0.57 0.00 0.00 179.45 179.80 1jcj h VAL 29 N 0.88 1.27 -0.47 0.50 2.07 -0.59 -1.53 116.25 118.38 1jcj h VAL 29 Ca 0.13 -1.47 0.01 0.00 0.82 0.00 0.00 66.70 66.19 1jcj h VAL 29 Cb 0.71 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1jcj h VAL 29 CO 0.05 0.49 0.30 0.40 0.02 0.00 0.00 177.57 178.84 1jcj h ILE 30 N 0.75 1.10 -0.89 4.57 2.04 -0.84 -0.83 117.51 123.42 1jcj h ILE 30 Ca 0.08 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1jcj h ILE 30 Cb 0.88 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1jcj h ILE 30 CO 0.08 0.11 0.55 0.00 0.00 0.00 0.00 178.15 178.89 1jcj h ALA 31 N 1.18 1.13 -0.57 1.87 0.00 -1.14 -2.03 119.26 119.70 1jcj h ALA 31 Ca 0.18 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1jcj h ALA 31 Cb -0.05 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.34 1jcj h ALA 31 CO -0.05 0.57 0.33 1.25 0.00 0.00 0.00 179.25 181.35 1jcj h LEU 32 N 1.21 0.52 -0.82 0.00 5.85 -0.66 -0.76 115.31 120.66 1jcj h LEU 32 Ca 0.32 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.09 1jcj h LEU 32 Cb -0.07 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1jcj h LEU 32 CO -0.06 0.36 0.52 0.00 -0.34 0.00 0.00 178.44 178.93 1jcj h HIS 34 N 1.02 0.91 0.00 0.00 3.86 -0.86 -2.74 115.15 117.34 1jcj h HIS 34 Ca 0.33 -0.16 -0.04 0.00 -1.16 0.00 0.00 60.37 59.34 1jcj h HIS 34 Cb 0.02 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 1jcj h HIS 34 CO -0.03 0.88 -0.18 1.96 0.86 0.00 0.00 177.93 181.43 1jcj h GLN 35 N 0.76 0.00 0.00 2.45 4.20 -0.37 -2.61 115.11 119.54 1jcj h GLN 35 Ca 0.13 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1jcj h GLN 35 Cb 0.58 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1jcj h GLN 35 CO 0.04 0.18 -0.09 0.00 -0.67 0.00 0.00 178.83 178.28 1jcj h ALA 36 N 1.82 1.01 -2.28 3.87 0.00 -1.00 -3.37 119.26 119.32 1jcj h ALA 36 Ca -0.00 -0.08 -0.74 0.00 0.00 0.00 0.00 54.91 54.09 1jcj h ALA 36 Cb 0.36 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 17.92 1jcj h ALA 36 CO 0.02 0.11 0.29 0.21 0.00 0.00 0.00 179.25 179.89 1jcj s LYS 37 N -3.65 3.42 0.34 0.00 2.20 -0.98 -1.49 119.74 119.58 1jcj s LYS 37 Ca 0.01 -1.91 0.07 0.00 -0.36 0.00 0.00 55.97 53.78 1jcj s LYS 37 Cb 0.09 -4.52 -0.01 0.00 -1.51 0.00 0.00 37.83 31.89 1jcj s LYS 37 CO 0.59 -1.50 0.44 0.95 -0.36 0.00 0.00 175.35 175.46 1jcj s THR 38 N 1.64 3.85 0.00 3.43 -4.23 -0.54 -5.00 115.64 114.79 1jcj s THR 38 Ca 0.20 -1.09 0.30 0.00 -1.18 0.00 0.00 61.69 59.92 1jcj s THR 38 Cb -0.14 -3.32 0.31 0.00 1.34 0.00 0.00 72.50 70.69 1jcj s THR 38 CO -0.04 -0.15 1.91 -0.65 -0.54 0.00 0.00 174.62 175.15 1jcj h PRO 39 N 0.96 0.00 -0.20 3.99 0.11 -1.96 -2.58 132.00 132.31 1jcj h PRO 39 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1jcj h PRO 39 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1jcj h PRO 39 CO 0.53 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 179.65 1jcj n VAL 40 N -2.60 0.45 0.00 3.15 0.24 -1.26 -5.09 118.33 113.22 1jcj n VAL 40 Ca -0.01 -0.73 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 1jcj n VAL 40 Cb 0.14 0.93 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 1jcj n VAL 40 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jcj n GLY 41 N 0.74 2.96 3.90 7.63 0.00 -0.97 -5.06 105.19 114.38 1jcj n GLY 41 Ca 0.11 -1.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 1jcj n GLY 41 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jcj s ASN 42 N 0.00 6.47 0.97 1.61 0.01 -1.26 -1.47 114.94 121.27 1jcj s ASN 42 Ca 0.00 0.54 -0.12 0.00 -0.71 0.00 0.00 52.86 52.58 1jcj s ASN 42 Cb 0.00 -2.07 0.17 0.00 0.41 0.00 0.00 41.25 39.76 1jcj s ASN 42 CO 0.00 0.08 1.09 0.42 -1.51 0.00 0.00 177.10 177.18 1jcj s THR 43 N -1.61 2.38 0.22 1.60 -4.23 -0.56 -4.42 115.64 109.02 1jcj s THR 43 Ca 0.39 0.12 -0.01 0.00 -1.18 0.00 0.00 61.69 61.02 1jcj s THR 43 Cb -0.12 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.26 1jcj s THR 43 CO 0.25 -0.16 1.57 0.00 -0.54 0.00 0.00 174.62 175.73 1jcj h ALA 44 N -1.88 0.82 -2.97 3.99 0.00 -1.11 -3.45 119.26 114.66 1jcj h ALA 44 Ca -0.52 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 53.97 1jcj h ALA 44 Cb 1.30 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1jcj h ALA 44 CO 0.52 0.66 0.17 0.00 0.00 0.00 0.00 179.25 180.60 1jcj s ALA 45 N -4.12 -1.01 0.23 0.00 0.00 -0.72 -1.71 121.76 114.44 1jcj s ALA 45 Ca -0.07 -0.44 0.11 0.00 0.00 0.00 0.00 51.96 51.56 1jcj s ALA 45 Cb 0.12 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 24.08 1jcj s ALA 45 CO 0.82 -1.00 -0.16 0.96 0.00 0.00 0.00 175.76 176.38 1jcj s ILE 46 N -3.85 2.73 -0.10 0.00 -4.36 -0.04 -1.22 121.20 114.35 1jcj s ILE 46 Ca 0.13 -2.08 -0.01 0.00 -0.26 0.00 0.00 60.65 58.43 1jcj s ILE 46 Cb -0.05 -2.39 0.03 0.00 1.25 0.00 0.00 42.46 41.30 1jcj s ILE 46 CO 0.08 -0.26 -0.02 0.00 0.24 0.00 0.00 174.94 174.98 1jcj s ILE 48 N 1.87 0.12 0.62 0.00 -4.36 -0.85 -1.44 121.20 117.16 1jcj s ILE 48 Ca 0.04 -1.70 -0.18 0.00 -0.26 0.00 0.00 60.65 58.56 1jcj s ILE 48 Cb -0.13 -1.84 -0.02 0.00 1.25 0.00 0.00 42.46 41.72 1jcj s ILE 48 CO -0.06 -0.53 1.17 -0.31 0.24 0.00 0.00 174.94 175.45 1jcj s TYR 49 N -3.99 2.43 0.38 1.37 2.02 -1.26 -4.05 117.35 114.25 1jcj s TYR 49 Ca 0.18 1.54 0.08 0.00 -0.37 0.00 0.00 57.07 58.50 1jcj s TYR 49 Cb 0.06 -3.38 0.80 0.00 -0.40 0.00 0.00 41.96 39.04 1jcj s TYR 49 CO -0.02 -2.06 1.96 -1.35 -1.57 0.00 0.00 175.55 172.51 1jcj h PRO 50 N 0.57 0.66 0.00 -1.71 0.11 -1.94 -1.62 132.00 128.08 1jcj h PRO 50 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1jcj h PRO 50 Cb 1.28 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1jcj h PRO 50 CO 0.54 0.43 0.00 0.07 -0.21 0.00 0.00 178.00 178.84 1jcj h ARG 51 N 0.68 0.00 -0.03 1.05 0.11 -1.98 -1.39 114.38 112.81 1jcj h ARG 51 Ca 0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.38 1jcj h ARG 51 Cb 0.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1jcj h ARG 51 CO -0.10 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.16 1jcj n PHE 52 N -3.08 0.02 -0.01 4.08 3.72 -0.61 -4.48 117.46 117.11 1jcj n PHE 52 Ca -0.02 -0.01 -0.11 0.00 -0.05 0.00 0.00 57.45 57.26 1jcj n PHE 52 Cb 0.14 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.63 1jcj n PHE 52 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1jcj h ILE 53 N 3.12 1.04 -0.52 4.37 2.04 -1.36 -1.40 117.51 124.80 1jcj h ILE 53 Ca 0.00 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1jcj h ILE 53 Cb 0.66 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1jcj h ILE 53 CO 0.00 0.03 0.32 -0.65 0.00 0.00 0.00 178.15 177.86 1jcj h PRO 54 N 0.14 0.70 -0.14 2.37 0.11 -1.78 0.32 132.00 133.71 1jcj h PRO 54 Ca 0.04 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 1jcj h PRO 54 Cb -0.01 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 1jcj h PRO 54 CO -0.01 0.50 -0.41 0.97 -0.21 0.00 0.00 178.00 178.85 1jcj h ILE 55 N 0.70 1.31 -0.40 4.15 6.09 -1.84 -2.17 117.51 125.34 1jcj h ILE 55 Ca 0.19 -1.53 -0.06 0.00 -1.37 0.00 0.00 64.86 62.08 1jcj h ILE 55 Cb -0.03 1.65 -0.01 0.00 0.47 0.00 0.00 36.82 38.89 1jcj h ILE 55 CO -0.04 0.46 -0.00 0.00 -3.07 0.00 0.00 178.15 175.51 1jcj h ALA 56 N 1.30 0.54 -0.59 0.18 0.00 -0.77 -1.36 119.26 118.57 1jcj h ALA 56 Ca 0.02 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1jcj h ALA 56 Cb 0.84 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1jcj h ALA 56 CO 0.07 0.32 0.35 -0.09 0.00 0.00 0.00 179.25 179.90 1jcj h ARG 57 N 0.54 0.67 -0.56 0.00 9.65 -0.72 -0.12 114.38 123.84 1jcj h ARG 57 Ca 0.11 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1jcj h ARG 57 Cb 0.48 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.88 1jcj h ARG 57 CO 0.02 0.44 0.30 -0.22 2.80 0.00 0.00 179.97 183.31 1jcj h LYS 58 N 0.69 0.79 -0.25 0.20 3.64 -1.21 -1.51 116.57 118.92 1jcj h LYS 58 Ca 0.24 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1jcj h LYS 58 Cb 0.05 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1jcj h LYS 58 CO -0.11 0.62 0.05 1.15 -2.27 0.00 0.00 179.45 178.89 1jcj h THR 59 N 0.75 1.22 -0.90 1.00 2.02 -0.73 -1.28 112.91 115.00 1jcj h THR 59 Ca 0.20 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1jcj h THR 59 Cb 0.07 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 1jcj h THR 59 CO -0.03 0.24 0.54 -0.07 0.37 0.00 0.00 175.52 176.56 1jcj h LEU 60 N 0.23 1.08 -0.44 2.58 3.38 -0.90 -1.97 115.31 119.27 1jcj h LEU 60 Ca 0.08 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1jcj h LEU 60 Cb 0.31 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1jcj h LEU 60 CO 0.00 0.83 0.04 0.50 0.09 0.00 0.00 178.44 179.90 1jcj h LYS 61 N 1.24 0.74 0.00 1.13 3.64 -1.10 -0.35 116.57 121.86 1jcj h LYS 61 Ca 0.32 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 1jcj h LYS 61 Cb -0.05 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1jcj h LYS 61 CO -0.06 0.79 -0.44 1.05 -2.27 0.00 0.00 179.45 178.52 1jcj h GLU 62 N 0.59 0.00 -0.37 1.90 4.11 -0.94 -1.90 114.58 117.97 1jcj h GLU 62 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1jcj h GLU 62 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1jcj h GLU 62 CO 0.01 0.44 0.00 0.00 0.07 0.00 0.00 179.01 179.53 1jcj n GLN 63 N -3.74 1.86 -1.52 1.06 10.64 -0.77 -4.93 117.38 119.99 1jcj n GLN 63 Ca -0.01 -1.33 -0.00 0.00 -1.83 0.00 0.00 57.00 53.82 1jcj n GLN 63 Cb 0.51 -1.29 -0.00 0.00 -0.86 0.00 0.00 30.24 28.60 1jcj n GLN 63 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1jcj n GLY 64 N 1.09 0.38 2.60 2.61 0.00 -0.71 -4.97 105.19 106.20 1jcj n GLY 64 Ca 0.12 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 1jcj n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jcj n THR 65 N -3.50 1.67 0.37 2.61 -2.24 -0.16 -4.88 114.28 108.15 1jcj n THR 65 Ca -0.00 -5.02 0.12 0.00 -2.27 0.00 0.00 64.05 56.87 1jcj n THR 65 Cb 0.26 -0.84 0.50 0.00 -2.10 0.00 0.00 70.33 68.15 1jcj n THR 65 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1jcj n PRO 66 N -0.05 0.19 0.00 -0.78 -0.04 -1.24 -2.23 135.00 130.84 1jcj n PRO 66 Ca 0.28 0.45 0.14 0.00 -0.04 0.00 0.00 63.50 64.33 1jcj n PRO 66 Cb 0.54 -1.88 0.66 0.00 -0.04 0.00 0.00 33.50 32.78 1jcj n PRO 66 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1jcj n GLU 67 N -2.24 0.44 -2.21 0.54 0.00 -1.26 -4.72 120.64 111.20 1jcj n GLU 67 Ca 0.02 -0.08 -0.42 0.00 0.00 0.00 0.00 57.16 56.67 1jcj n GLU 67 Cb 0.21 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.12 1jcj n GLU 67 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1jcj s ILE 68 N -2.61 3.73 0.53 3.84 1.01 -0.95 -4.94 121.20 121.81 1jcj s ILE 68 Ca 0.26 1.08 -0.17 0.00 0.00 0.00 0.00 60.65 61.81 1jcj s ILE 68 Cb 0.20 -3.69 -0.07 0.00 0.01 0.00 0.00 42.46 38.91 1jcj s ILE 68 CO 0.49 -0.02 1.00 -0.13 0.00 0.00 0.00 174.94 176.28 1jcj s ARG 69 N 2.71 3.80 -0.28 2.79 0.52 -0.69 -4.87 118.95 122.93 1jcj s ARG 69 Ca 0.64 1.06 -0.04 0.00 -0.52 0.00 0.00 55.73 56.87 1jcj s ARG 69 Cb -0.31 -2.11 0.03 0.00 0.52 0.00 0.00 34.95 33.08 1jcj s ARG 69 CO 0.26 -0.40 0.01 0.42 0.02 0.00 0.00 175.30 175.61 1jcj s ILE 70 N -2.51 3.33 0.16 1.52 1.01 -1.26 -0.86 121.20 122.58 1jcj s ILE 70 Ca 0.61 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 60.28 1jcj s ILE 70 Cb -0.12 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1jcj s ILE 70 CO 0.31 0.06 0.24 0.00 0.00 0.00 0.00 174.94 175.54 1jcj s ALA 71 N 1.37 3.83 0.30 9.38 0.00 0.35 -0.60 121.76 136.39 1jcj s ALA 71 Ca -0.00 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1jcj s ALA 71 Cb -0.18 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.31 1jcj s ALA 71 CO -0.01 0.50 0.39 -2.37 0.00 0.00 0.00 175.76 174.27 1jcj n THR 72 N -0.56 0.00 -4.62 0.00 5.66 -0.74 -2.01 114.28 112.01 1jcj n THR 72 Ca -0.08 -1.68 -0.25 0.00 -3.05 0.00 0.00 64.05 59.00 1jcj n THR 72 Cb 0.54 0.98 -0.14 0.00 -1.55 0.00 0.00 70.33 70.16 1jcj n THR 72 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1jcj s VAL 73 N -2.86 1.55 0.11 1.08 -7.23 -1.26 -0.16 120.40 111.63 1jcj s VAL 73 Ca 0.27 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 1jcj s VAL 73 Cb -0.00 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 1jcj s VAL 73 CO 0.20 0.20 -0.01 0.42 -0.31 0.00 0.00 175.10 175.59 1jcj s THR 74 N -0.76 0.41 -1.44 5.32 -4.23 -0.47 -4.69 115.64 109.78 1jcj s THR 74 Ca 0.06 -1.90 -0.04 0.00 -1.18 0.00 0.00 61.69 58.64 1jcj s THR 74 Cb -0.08 -1.81 0.02 0.00 1.34 0.00 0.00 72.50 71.97 1jcj s THR 74 CO 0.01 -0.73 0.33 -3.20 -0.54 0.00 0.00 174.62 170.49 1jcj n ASN 75 N -0.05 -5.08 -4.36 3.99 5.15 -1.26 -1.88 115.26 111.77 1jcj n ASN 75 Ca -0.10 -0.15 -0.31 0.00 -0.60 0.00 0.00 54.58 53.42 1jcj n ASN 75 Cb 0.62 -4.19 -0.15 0.00 -0.53 0.00 0.00 39.78 35.53 1jcj n ASN 75 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1jcj s PHE 76 N -2.98 2.41 -2.08 1.20 2.19 -1.26 -1.41 117.98 116.05 1jcj s PHE 76 Ca 0.20 -0.37 0.27 0.00 0.33 0.00 0.00 56.93 57.36 1jcj s PHE 76 Cb -0.10 -1.48 0.90 0.00 -1.31 0.00 0.00 43.02 41.03 1jcj s PHE 76 CO 0.24 0.08 1.65 -0.35 1.83 0.00 0.00 175.22 178.68 1jcj n PRO 77 N 2.11 1.20 0.22 10.12 -0.04 -1.26 -4.93 135.00 142.43 1jcj n PRO 77 Ca -0.16 -0.69 0.11 0.00 -0.04 0.00 0.00 63.50 62.71 1jcj n PRO 77 Cb 0.52 -1.49 0.38 0.00 -0.04 0.00 0.00 33.50 32.87 1jcj n PRO 77 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1jcj h HIS 78 N 1.69 0.00 -5.03 0.54 2.07 -1.96 -3.47 115.15 108.99 1jcj h HIS 78 Ca 0.00 0.00 -0.33 0.00 -2.85 0.00 0.00 60.37 57.19 1jcj h HIS 78 Cb 0.50 0.00 0.12 0.00 2.57 0.00 0.00 27.41 30.60 1jcj h HIS 78 CO 0.00 0.17 -0.57 0.41 -3.07 0.00 0.00 177.93 174.87 1jcj n GLY 79 N 0.49 -0.29 3.67 6.13 0.00 -0.50 -4.89 105.19 109.81 1jcj n GLY 79 Ca 0.01 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1jcj n GLY 79 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jcj s ASN 80 N -3.34 3.00 -0.32 1.61 0.01 -1.26 -4.04 114.94 110.60 1jcj s ASN 80 Ca 0.45 1.81 0.10 0.00 -0.71 0.00 0.00 52.86 54.51 1jcj s ASN 80 Cb -0.20 -2.41 0.66 0.00 0.41 0.00 0.00 41.25 39.71 1jcj s ASN 80 CO 0.61 -2.99 1.71 -0.90 -1.51 0.00 0.00 177.10 174.02 1jcj n ASP 81 N -4.14 4.04 -4.44 -1.22 5.68 -1.26 -4.53 116.55 110.68 1jcj n ASP 81 Ca 0.08 -3.38 -0.44 0.00 -0.50 0.00 0.00 54.79 50.56 1jcj n ASP 81 Cb 0.53 -0.71 -0.06 0.00 -1.14 0.00 0.00 41.12 39.74 1jcj n ASP 81 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1jcj s ASP 82 N -1.52 6.22 0.17 -1.12 -1.08 -1.26 -4.93 116.67 113.15 1jcj s ASP 82 Ca 0.52 -0.93 -0.09 0.00 -0.52 0.00 0.00 52.55 51.52 1jcj s ASP 82 Cb 0.43 -2.29 0.04 0.00 -1.46 0.00 0.00 42.92 39.64 1jcj s ASP 82 CO 0.10 -0.88 1.58 0.40 0.52 0.00 0.00 175.17 176.88 1jcj h ILE 83 N 5.86 1.27 -0.92 4.11 2.04 -1.96 -2.36 117.51 125.56 1jcj h ILE 83 Ca -0.28 -1.32 0.01 0.00 1.00 0.00 0.00 64.86 64.28 1jcj h ILE 83 Cb 1.10 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 1jcj h ILE 83 CO 0.96 0.46 0.61 0.44 0.00 0.00 0.00 178.15 180.62 1jcj h ASP 84 N 0.89 1.05 -0.11 1.72 3.32 -1.99 0.38 116.42 121.69 1jcj h ASP 84 Ca 0.13 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1jcj h ASP 84 Cb 0.73 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1jcj h ASP 84 CO 0.06 0.77 -0.03 0.40 -1.72 0.00 0.00 179.24 178.71 1jcj h ILE 85 N 1.24 1.29 -0.83 0.35 2.04 -1.95 -0.95 117.51 118.71 1jcj h ILE 85 Ca 0.34 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 65.26 1jcj h ILE 85 Cb -0.14 1.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 1jcj h ILE 85 CO -0.07 0.28 0.53 0.00 0.00 0.00 0.00 178.15 178.89 1jcj h ALA 86 N 0.68 1.09 -0.39 1.87 0.00 -1.16 -1.13 119.26 120.22 1jcj h ALA 86 Ca 0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1jcj h ALA 86 Cb 0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1jcj h ALA 86 CO 0.01 0.36 -0.01 1.25 0.00 0.00 0.00 179.25 180.86 1jcj h LEU 87 N 1.04 0.69 -0.65 0.00 5.85 -0.89 -1.23 115.31 120.12 1jcj h LEU 87 Ca 0.33 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1jcj h LEU 87 Cb 0.01 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1jcj h LEU 87 CO -0.12 0.84 0.41 0.00 -0.34 0.00 0.00 178.44 179.23 1jcj h ALA 88 N 0.87 0.84 -0.81 1.25 0.00 -0.82 0.95 119.26 121.55 1jcj h ALA 88 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1jcj h ALA 88 Cb 0.49 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1jcj h ALA 88 CO 0.02 0.18 0.39 0.93 0.00 0.00 0.00 179.25 180.76 1jcj h GLU 89 N 0.81 1.18 -0.41 0.00 5.08 -1.08 -0.01 114.58 120.14 1jcj h GLU 89 Ca 0.26 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1jcj h GLU 89 Cb -0.00 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1jcj h GLU 89 CO -0.09 0.91 0.11 1.15 -1.00 0.00 0.00 179.01 180.08 1jcj h THR 90 N 1.16 1.23 -0.90 1.13 2.02 -0.71 -0.20 112.91 116.63 1jcj h THR 90 Ca 0.28 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 1jcj h THR 90 Cb 0.13 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1jcj h THR 90 CO -0.03 0.27 0.51 0.03 0.37 0.00 0.00 175.52 176.67 1jcj h ARG 91 N 0.52 1.25 -0.65 6.66 3.08 -0.59 -1.20 114.38 123.45 1jcj h ARG 91 Ca 0.13 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1jcj h ARG 91 Cb 0.30 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1jcj h ARG 91 CO 0.00 0.90 0.10 0.00 -1.07 0.00 0.00 179.97 179.90 1jcj h ALA 92 N 1.30 0.86 -0.79 0.04 0.00 -0.65 -1.01 119.26 119.02 1jcj h ALA 92 Ca 0.32 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1jcj h ALA 92 Cb -0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 1jcj h ALA 92 CO -0.05 0.63 0.49 0.00 0.00 0.00 0.00 179.25 180.32 1jcj h ALA 93 N 1.04 1.05 -0.39 0.00 0.00 -0.56 0.10 119.26 120.50 1jcj h ALA 93 Ca 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1jcj h ALA 93 Cb 0.44 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1jcj h ALA 93 CO 0.01 0.27 0.19 0.82 0.00 0.00 0.00 179.25 180.54 1jcj h ILE 94 N 0.94 1.17 -0.44 0.00 2.04 -1.03 -1.48 117.51 118.70 1jcj h ILE 94 Ca 0.33 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 1jcj h ILE 94 Cb 0.07 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1jcj h ILE 94 CO -0.13 0.18 0.05 0.00 0.00 0.00 0.00 178.15 178.25 1jcj h ALA 95 N 1.04 1.27 0.00 1.87 0.00 -0.35 -1.57 119.26 121.52 1jcj h ALA 95 Ca 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1jcj h ALA 95 Cb 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1jcj h ALA 95 CO -0.02 0.50 -0.13 1.88 0.00 0.00 0.00 179.25 181.48 1jcj h TYR 96 N 0.65 0.00 0.00 0.00 0.05 -0.65 -3.46 116.97 113.56 1jcj h TYR 96 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1jcj h TYR 96 Cb 0.33 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.07 1jcj h TYR 96 CO 0.02 0.13 0.00 0.41 -1.05 0.00 0.00 178.16 177.66 1jcj n GLY 97 N -1.10 1.96 3.72 3.88 0.00 -0.59 -4.29 105.19 108.77 1jcj n GLY 97 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1jcj n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcj n ALA 98 N -0.02 1.42 0.01 4.61 0.00 -0.59 -4.92 120.51 121.02 1jcj n ALA 98 Ca 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 53.44 53.57 1jcj n ALA 98 Cb 0.00 -2.30 -0.13 0.00 0.00 0.00 0.00 19.45 17.02 1jcj n ALA 98 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1jcj h ASP 99 N 1.80 0.00 -4.43 0.00 3.32 -1.20 -3.45 116.42 112.45 1jcj h ASP 99 Ca -0.49 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.39 1jcj h ASP 99 Cb 1.30 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.61 1jcj h ASP 99 CO 0.58 0.96 -0.54 -1.61 -1.72 0.00 0.00 179.24 176.92 1jcj s GLU 100 N -2.66 0.32 -0.09 3.56 2.02 -0.94 -2.07 118.70 118.84 1jcj s GLU 100 Ca -0.03 -0.15 0.02 0.00 0.02 0.00 0.00 54.97 54.84 1jcj s GLU 100 Cb 0.09 0.14 0.01 0.00 0.10 0.00 0.00 34.13 34.46 1jcj s GLU 100 CO 0.82 -0.07 -0.16 0.08 0.02 0.00 0.00 175.26 175.96 1jcj s VAL 101 N -0.73 1.47 -0.43 2.63 1.01 -0.31 -1.79 120.40 122.25 1jcj s VAL 101 Ca -0.08 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 1jcj s VAL 101 Cb -0.05 -1.33 0.08 0.00 0.00 0.00 0.00 36.38 35.08 1jcj s VAL 101 CO 0.01 0.43 0.29 -1.81 0.00 0.00 0.00 175.10 174.02 1jcj s ASP 102 N 0.77 5.74 -0.10 3.32 1.11 0.78 -0.49 116.67 127.79 1jcj s ASP 102 Ca -0.11 -1.49 -0.07 0.00 0.18 0.00 0.00 52.55 51.05 1jcj s ASP 102 Cb -0.16 -2.03 -0.04 0.00 1.07 0.00 0.00 42.92 41.76 1jcj s ASP 102 CO 0.02 -0.57 0.17 0.54 1.18 0.00 0.00 175.17 176.51 1jcj s VAL 103 N 1.46 5.46 -0.19 -1.27 0.11 -0.01 -1.36 120.40 124.60 1jcj s VAL 103 Ca 0.03 0.25 -0.24 0.00 -2.93 0.00 0.00 61.98 59.09 1jcj s VAL 103 Cb -0.23 -3.44 -0.02 0.00 -1.53 0.00 0.00 36.38 31.16 1jcj s VAL 103 CO 0.03 0.60 0.79 -0.69 -3.33 0.00 0.00 175.10 172.50 1jcj s VAL 104 N -1.05 4.90 0.55 2.04 1.01 -0.79 -0.56 120.40 126.51 1jcj s VAL 104 Ca 0.16 1.53 -0.22 0.00 0.00 0.00 0.00 61.98 63.46 1jcj s VAL 104 Cb -0.12 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 1jcj s VAL 104 CO 0.06 0.03 1.36 0.12 0.00 0.00 0.00 175.10 176.66 1jcj s PHE 105 N 2.19 2.27 -1.32 5.22 5.36 0.09 -4.63 117.98 127.17 1jcj s PHE 105 Ca 0.36 1.38 -0.17 0.00 -0.96 0.00 0.00 56.93 57.54 1jcj s PHE 105 Cb -0.16 -3.80 0.08 0.00 -0.34 0.00 0.00 43.02 38.80 1jcj s PHE 105 CO 0.11 -2.92 1.79 -0.35 -1.46 0.00 0.00 175.22 172.40 1jcj n PRO 106 N -1.07 3.17 0.05 10.12 -0.04 -1.26 -4.59 135.00 141.38 1jcj n PRO 106 Ca 0.11 -3.23 -0.07 0.00 -0.04 0.00 0.00 63.50 60.26 1jcj n PRO 106 Cb 0.45 -3.40 0.10 0.00 -0.04 0.00 0.00 33.50 30.61 1jcj n PRO 106 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1jcj h TYR 107 N 7.20 0.50 -0.51 0.54 -0.00 -1.86 -2.54 116.97 120.30 1jcj h TYR 107 Ca 0.45 -0.18 -0.07 0.00 0.00 0.00 0.00 58.73 58.93 1jcj h TYR 107 Cb 0.82 -0.09 -0.02 0.00 0.00 0.00 0.00 36.73 37.44 1jcj h TYR 107 CO 1.39 0.87 0.02 0.00 -0.00 0.00 0.00 178.16 180.45 1jcj h ARG 108 N 0.30 0.83 -0.60 0.10 3.08 -1.85 -1.31 114.38 114.93 1jcj h ARG 108 Ca 0.00 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.79 1jcj h ARG 108 Cb 1.08 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 1jcj h ARG 108 CO 0.10 0.82 0.22 0.00 -1.07 0.00 0.00 179.97 180.04 1jcj h ALA 109 N 1.24 0.78 -0.74 0.04 0.00 -1.80 -1.46 119.26 117.33 1jcj h ALA 109 Ca 0.15 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1jcj h ALA 109 Cb 0.44 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1jcj h ALA 109 CO 0.02 0.42 0.48 1.25 0.00 0.00 0.00 179.25 181.42 1jcj h LEU 110 N 0.84 0.86 -1.91 0.00 5.85 -1.18 -0.34 115.31 119.43 1jcj h LEU 110 Ca 0.20 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1jcj h LEU 110 Cb 0.24 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1jcj h LEU 110 CO -0.01 0.63 -0.05 0.24 -0.34 0.00 0.00 178.44 178.90 1jcj h MET 111 N 1.00 0.00 -0.51 1.25 2.86 -0.88 0.32 114.93 118.98 1jcj h MET 111 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1jcj h MET 111 Cb -0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1jcj h MET 111 CO -0.06 0.05 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1jcj n ALA 112 N -2.52 2.69 -0.34 6.32 0.00 -0.58 -4.92 120.51 121.15 1jcj n ALA 112 Ca -0.03 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1jcj n ALA 112 Cb 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1jcj n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jcj n GLY 113 N 0.85 0.74 3.32 0.00 0.00 0.10 -5.04 105.19 105.16 1jcj n GLY 113 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 1jcj n GLY 113 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jcj s ASN 114 N -2.59 6.34 0.18 1.61 3.84 -0.19 -4.87 114.94 119.25 1jcj s ASN 114 Ca 0.00 -1.98 0.10 0.00 0.21 0.00 0.00 52.86 51.19 1jcj s ASN 114 Cb 0.00 -2.22 -0.10 0.00 -0.55 0.00 0.00 41.25 38.38 1jcj s ASN 114 CO 0.00 -0.82 1.35 -0.33 -2.79 0.00 0.00 177.10 174.51 1jcj h GLU 115 N 8.65 0.00 -0.29 0.43 5.08 -1.87 -3.15 114.58 123.42 1jcj h GLU 115 Ca -0.19 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.99 1jcj h GLU 115 Cb 1.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1jcj h GLU 115 CO 0.98 0.82 -0.50 0.37 -1.00 0.00 0.00 179.01 179.68 1jcj h GLN 116 N 0.00 0.81 -0.43 2.33 5.75 -1.97 -3.02 115.11 118.58 1jcj h GLN 116 Ca -0.01 -0.49 -0.08 0.00 -0.15 0.00 0.00 58.65 57.93 1jcj h GLN 116 Cb 1.62 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 30.20 1jcj h GLN 116 CO 0.11 1.12 -0.06 -0.24 -2.65 0.00 0.00 178.83 177.11 1jcj h VAL 117 N 0.64 1.25 -0.46 2.39 3.04 -1.98 -0.13 116.25 120.99 1jcj h VAL 117 Ca 0.03 -1.06 -0.11 0.00 -1.01 0.00 0.00 66.70 64.54 1jcj h VAL 117 Cb 1.08 0.98 -0.02 0.00 -2.01 0.00 0.00 31.29 31.32 1jcj h VAL 117 CO 0.11 0.37 -0.16 1.23 -1.01 0.00 0.00 177.57 178.11 1jcj h GLY 118 N 0.97 0.95 0.81 3.17 0.00 -1.76 0.41 103.07 107.62 1jcj h GLY 118 Ca 0.13 -0.78 0.01 0.00 0.00 0.00 0.00 47.33 46.69 1jcj h GLY 118 CO 0.03 0.71 -0.12 -2.75 0.00 0.00 0.00 176.54 174.40 1jcj h PHE 119 N 0.78 -0.32 -0.58 5.60 3.57 -1.29 -1.59 116.94 123.10 1jcj h PHE 119 Ca 0.12 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 1jcj h PHE 119 Cb 0.69 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 1jcj h PHE 119 CO 0.04 -0.19 0.14 -0.44 -2.23 0.00 0.00 178.31 175.63 1jcj h ASP 120 N -0.26 0.84 0.04 0.41 3.32 -0.81 -0.47 116.42 119.49 1jcj h ASP 120 Ca 0.01 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1jcj h ASP 120 Cb 0.26 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1jcj h ASP 120 CO -0.05 0.82 -0.02 0.25 -1.72 0.00 0.00 179.24 178.52 1jcj h LEU 121 N 0.86 -0.05 -0.82 1.55 6.46 -0.81 -1.64 115.31 120.87 1jcj h LEU 121 Ca 0.19 -0.35 -0.02 0.00 -0.12 0.00 0.00 57.88 57.58 1jcj h LEU 121 Cb 0.31 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.21 1jcj h LEU 121 CO -0.00 0.33 0.44 0.58 -0.62 0.00 0.00 178.44 179.17 1jcj h VAL 122 N -0.43 1.25 -0.43 1.05 2.07 -1.19 -2.16 116.25 116.40 1jcj h VAL 122 Ca -0.01 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 1jcj h VAL 122 Cb 0.39 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1jcj h VAL 122 CO 0.01 0.28 0.14 0.50 0.02 0.00 0.00 177.57 178.52 1jcj h LYS 123 N 1.15 0.67 -0.41 1.57 3.64 -1.03 0.14 116.57 122.31 1jcj h LYS 123 Ca 0.29 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1jcj h LYS 123 Cb 0.05 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1jcj h LYS 123 CO -0.04 0.65 0.25 0.00 -2.27 0.00 0.00 179.45 178.04 1jcj h ALA 124 N 0.99 0.52 -0.33 5.00 0.00 -1.13 -0.44 119.26 123.87 1jcj h ALA 124 Ca 0.14 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1jcj h ALA 124 Cb 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1jcj h ALA 124 CO -0.00 0.01 -0.33 0.00 0.00 0.00 0.00 179.25 178.92 1jcj h LYS 126 N 0.61 1.06 -0.69 0.00 1.63 -0.46 -1.17 116.57 117.55 1jcj h LYS 126 Ca 0.07 -0.09 -0.06 0.00 -0.85 0.00 0.00 60.65 59.71 1jcj h LYS 126 Cb 0.86 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 32.23 1jcj h LYS 126 CO 0.07 0.74 0.20 0.93 -3.45 0.00 0.00 179.45 177.94 1jcj h GLU 127 N 1.07 1.08 -0.27 1.90 5.08 -0.91 0.23 114.58 122.76 1jcj h GLU 127 Ca 0.28 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1jcj h GLU 127 Cb -0.05 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1jcj h GLU 127 CO -0.05 0.93 0.05 0.00 -1.00 0.00 0.00 179.01 178.94 1jcj h ALA 128 N 1.18 0.36 -0.27 3.43 0.00 -1.29 -2.43 119.26 120.22 1jcj h ALA 128 Ca 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1jcj h ALA 128 Cb 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1jcj h ALA 128 CO -0.00 0.03 0.09 0.00 0.00 0.00 0.00 179.25 179.36 1jcj h ALA 130 N 0.92 1.37 0.00 0.00 0.00 -0.54 -0.42 119.26 120.59 1jcj h ALA 130 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1jcj h ALA 130 Cb 0.24 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jcj h ALA 130 CO -0.00 0.54 -0.10 0.00 0.00 0.00 0.00 179.25 179.69 1jcj h ALA 131 N 1.43 1.18 -0.54 0.00 0.00 -1.25 -2.01 119.26 118.07 1jcj h ALA 131 Ca 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1jcj h ALA 131 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1jcj h ALA 131 CO -0.11 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1jcj n ALA 132 N -2.22 2.34 -3.83 0.00 0.00 -0.49 -4.97 120.51 111.34 1jcj n ALA 132 Ca -0.01 -1.17 -0.27 0.00 0.00 0.00 0.00 53.44 51.99 1jcj n ALA 132 Cb 0.25 -0.77 0.03 0.00 0.00 0.00 0.00 19.45 18.95 1jcj n ALA 132 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jcj n ASN 133 N 1.30 -3.33 -4.43 0.00 3.02 -0.76 -5.00 115.26 106.07 1jcj n ASN 133 Ca 0.20 -0.79 -0.33 0.00 -0.03 0.00 0.00 54.58 53.62 1jcj n ASN 133 Cb 0.56 -3.96 -0.13 0.00 -0.61 0.00 0.00 39.78 35.64 1jcj n ASN 133 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jcj s VAL 134 N -3.46 3.18 0.27 2.41 1.01 -0.29 -4.97 120.40 118.55 1jcj s VAL 134 Ca 0.39 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 1jcj s VAL 134 Cb -0.19 -2.31 -0.09 0.00 0.00 0.00 0.00 36.38 33.78 1jcj s VAL 134 CO 0.82 0.55 0.86 -0.76 0.00 0.00 0.00 175.10 176.57 1jcj s LEU 135 N -0.09 4.40 -0.23 3.92 1.43 -0.88 -3.97 118.68 123.26 1jcj s LEU 135 Ca -0.01 1.70 -0.04 0.00 -1.03 0.00 0.00 54.13 54.74 1jcj s LEU 135 Cb -0.14 -3.77 -0.01 0.00 0.03 0.00 0.00 46.19 42.30 1jcj s LEU 135 CO 0.03 0.01 -0.02 -0.22 0.23 0.00 0.00 176.35 176.39 1jcj s LEU 136 N -1.85 3.04 -0.04 1.79 2.96 -1.26 -1.16 118.68 122.15 1jcj s LEU 136 Ca 0.46 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.94 1jcj s LEU 136 Cb -0.19 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 1jcj s LEU 136 CO 0.24 -0.04 0.13 -0.54 -1.32 0.00 0.00 176.35 174.83 1jcj s LYS 137 N 1.50 3.32 -0.18 1.98 1.02 0.35 -0.52 119.74 127.21 1jcj s LYS 137 Ca 0.06 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 55.74 1jcj s LYS 137 Cb -0.15 -3.04 0.01 0.00 -0.52 0.00 0.00 37.83 34.13 1jcj s LYS 137 CO -0.02 0.70 -0.18 0.08 -0.92 0.00 0.00 175.35 175.01 1jcj s VAL 138 N -1.18 2.29 -0.32 3.17 1.01 -0.39 -0.83 120.40 124.15 1jcj s VAL 138 Ca 0.22 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 61.11 1jcj s VAL 138 Cb -0.12 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.29 1jcj s VAL 138 CO 0.12 0.52 0.74 -0.63 0.00 0.00 0.00 175.10 175.86 1jcj s ILE 139 N 1.21 4.82 -0.57 2.22 1.01 0.28 -0.58 121.20 129.59 1jcj s ILE 139 Ca 0.03 1.01 0.23 0.00 0.00 0.00 0.00 60.65 61.92 1jcj s ILE 139 Cb -0.14 -4.12 -0.14 0.00 0.01 0.00 0.00 42.46 38.07 1jcj s ILE 139 CO -0.09 -0.26 0.96 2.30 0.00 0.00 0.00 174.94 177.85 1jcj n ILE 140 N 5.55 0.15 -2.73 2.92 -5.35 -0.74 -0.73 119.36 118.43 1jcj n ILE 140 Ca 0.02 -0.26 -0.08 0.00 -0.27 0.00 0.00 62.75 62.17 1jcj n ILE 140 Cb 0.48 0.24 0.04 0.00 -1.74 0.00 0.00 39.64 38.66 1jcj n ILE 140 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1jcj n GLU 141 N -1.98 -1.43 -0.14 6.28 4.07 -0.31 -4.75 120.64 122.37 1jcj n GLU 141 Ca 0.01 0.81 0.13 0.00 -0.06 0.00 0.00 57.16 58.06 1jcj n GLU 141 Cb 0.44 -4.64 0.48 0.00 -0.06 0.00 0.00 31.44 27.66 1jcj n GLU 141 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 1jcj h THR 142 N -0.45 0.86 0.00 6.31 1.35 -1.40 -1.11 112.91 118.47 1jcj h THR 142 Ca -0.31 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1jcj h THR 142 Cb 1.16 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1jcj h THR 142 CO 0.29 0.08 0.00 1.23 -0.25 0.00 0.00 175.52 176.87 1jcj h GLY 143 N 0.46 0.00 0.40 5.82 0.00 -1.80 -0.32 103.07 107.62 1jcj h GLY 143 Ca 0.34 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.30 1jcj h GLY 143 CO -0.11 0.00 -2.16 1.18 0.00 0.00 0.00 176.54 175.45 1jcj n GLU 144 N -3.05 0.71 -0.14 4.80 -0.58 -0.53 -4.39 120.64 117.46 1jcj n GLU 144 Ca 0.01 0.21 -0.08 0.00 -0.42 0.00 0.00 57.16 56.88 1jcj n GLU 144 Cb 0.32 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1jcj n GLU 144 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1jcj h LEU 145 N 0.04 0.51 0.00 -4.62 3.38 -1.15 -3.46 115.31 110.01 1jcj h LEU 145 Ca -0.47 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1jcj h LEU 145 Cb 2.00 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.62 1jcj h LEU 145 CO 0.02 0.42 0.00 0.29 0.09 0.00 0.00 178.44 179.27 1jcj n LYS 146 N -4.74 0.00 -2.52 1.13 5.02 -0.14 -4.85 118.16 112.05 1jcj n LYS 146 Ca 0.01 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 1jcj n LYS 146 Cb 0.06 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.03 1jcj n LYS 146 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jcj s ASP 147 N 0.00 7.31 0.22 4.39 1.01 -1.26 -4.92 116.67 123.42 1jcj s ASP 147 Ca 0.00 2.18 -0.07 0.00 0.71 0.00 0.00 52.55 55.37 1jcj s ASP 147 Cb 0.00 -2.62 0.33 0.00 1.01 0.00 0.00 42.92 41.64 1jcj s ASP 147 CO 0.00 -0.13 1.77 -0.08 0.21 0.00 0.00 175.17 176.94 1jcj h GLU 148 N 4.22 0.53 -0.54 8.23 4.81 -1.98 -1.16 114.58 128.69 1jcj h GLU 148 Ca -0.46 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.69 1jcj h GLU 148 Cb 1.21 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 1jcj h GLU 148 CO 0.69 0.35 0.15 0.00 -0.73 0.00 0.00 179.01 179.46 1jcj h ALA 149 N 1.43 1.24 -0.27 2.92 0.00 -1.97 -0.37 119.26 122.25 1jcj h ALA 149 Ca 0.34 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1jcj h ALA 149 Cb 0.38 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1jcj h ALA 149 CO -0.28 0.53 -0.50 -0.07 0.00 0.00 0.00 179.25 178.93 1jcj h LEU 150 N 0.79 0.82 -0.40 0.00 3.38 -1.73 -0.47 115.31 117.70 1jcj h LEU 150 Ca 0.18 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1jcj h LEU 150 Cb 0.27 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1jcj h LEU 150 CO -0.00 1.17 0.26 0.40 0.09 0.00 0.00 178.44 180.36 1jcj h ILE 151 N 0.58 1.11 -0.52 1.22 2.04 -0.84 -0.44 117.51 120.66 1jcj h ILE 151 Ca 0.02 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1jcj h ILE 151 Cb 1.08 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1jcj h ILE 151 CO 0.11 0.11 0.30 0.03 0.00 0.00 0.00 178.15 178.70 1jcj h ARG 152 N 0.54 0.72 -0.38 2.37 3.08 -1.00 -1.96 114.38 117.75 1jcj h ARG 152 Ca 0.15 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 1jcj h ARG 152 Cb -0.04 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1jcj h ARG 152 CO -0.03 0.54 0.06 -0.22 -1.07 0.00 0.00 179.97 179.26 1jcj h LYS 153 N 0.70 0.63 -0.80 0.04 1.63 -0.82 0.02 116.57 117.97 1jcj h LYS 153 Ca 0.19 -0.17 -0.04 0.00 -0.85 0.00 0.00 60.65 59.77 1jcj h LYS 153 Cb 0.02 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.54 1jcj h LYS 153 CO -0.03 0.69 0.33 0.00 -3.45 0.00 0.00 179.45 176.99 1jcj h ALA 154 N 0.92 1.04 -0.29 5.00 0.00 -1.03 0.13 119.26 125.02 1jcj h ALA 154 Ca 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1jcj h ALA 154 Cb 0.36 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1jcj h ALA 154 CO 0.01 0.65 0.16 0.77 0.00 0.00 0.00 179.25 180.84 1jcj h SER 155 N 1.16 0.36 -0.24 0.00 0.02 -1.11 -1.37 113.55 112.37 1jcj h SER 155 Ca 0.27 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1jcj h SER 155 Cb 0.20 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1jcj h SER 155 CO -0.02 0.35 0.12 -0.08 -1.14 0.00 0.00 176.83 176.06 1jcj h GLU 156 N 0.35 0.35 -0.51 3.45 4.81 -0.60 -1.04 114.58 121.39 1jcj h GLU 156 Ca 0.10 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1jcj h GLU 156 Cb 0.07 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1jcj h GLU 156 CO -0.02 0.34 0.32 0.82 -0.73 0.00 0.00 179.01 179.75 1jcj h ILE 157 N 0.27 1.10 -0.61 2.32 2.04 -0.95 -0.50 117.51 121.20 1jcj h ILE 157 Ca 0.08 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1jcj h ILE 157 Cb 0.10 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1jcj h ILE 157 CO -0.01 0.12 0.32 0.28 0.00 0.00 0.00 178.15 178.86 1jcj h SER 158 N 0.66 0.76 -0.35 1.72 0.02 -1.05 -0.60 113.55 114.71 1jcj h SER 158 Ca 0.19 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1jcj h SER 158 Cb -0.04 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 1jcj h SER 158 CO -0.06 0.65 0.15 0.40 -1.14 0.00 0.00 176.83 176.83 1jcj h ILE 159 N 0.82 1.17 -0.54 3.27 2.04 -0.89 -0.59 117.51 122.80 1jcj h ILE 159 Ca 0.21 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1jcj h ILE 159 Cb 0.06 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1jcj h ILE 159 CO -0.03 0.18 0.33 0.11 0.00 0.00 0.00 178.15 178.75 1jcj h LYS 160 N 0.42 0.72 0.00 2.37 1.57 -0.75 -1.57 116.57 119.33 1jcj h LYS 160 Ca 0.12 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1jcj h LYS 160 Cb 0.15 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1jcj h LYS 160 CO -0.01 0.49 0.00 0.00 -0.57 0.00 0.00 179.45 179.36 1jcj n ALA 161 N -2.45 2.36 0.00 3.86 0.00 -0.26 -4.91 120.51 119.10 1jcj n ALA 161 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1jcj n ALA 161 Cb 0.07 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1jcj n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jcj n GLY 162 N 1.09 1.28 3.64 0.00 0.00 -0.59 -3.95 105.19 106.66 1jcj n GLY 162 Ca 0.12 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 1jcj n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcj n ALA 163 N -1.01 0.55 0.09 4.61 0.00 -0.27 -4.89 120.51 119.58 1jcj n ALA 163 Ca 0.00 0.42 0.04 0.00 0.00 0.00 0.00 53.44 53.90 1jcj n ALA 163 Cb 0.00 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 17.24 1jcj n ALA 163 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1jcj h ASP 164 N 3.79 0.00 -4.99 0.00 3.32 -1.07 -3.45 116.42 114.03 1jcj h ASP 164 Ca -0.44 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.46 1jcj h ASP 164 Cb 1.30 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.64 1jcj h ASP 164 CO 0.73 0.38 -0.57 -0.36 -1.72 0.00 0.00 179.24 177.70 1jcj s PHE 165 N -3.06 0.13 -0.11 4.55 0.40 -1.07 -1.15 117.98 117.67 1jcj s PHE 165 Ca -0.00 -0.31 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 1jcj s PHE 165 Cb 0.08 -0.11 -0.01 0.00 0.51 0.00 0.00 43.02 43.49 1jcj s PHE 165 CO 0.78 -0.26 -0.16 0.96 0.70 0.00 0.00 175.22 177.24 1jcj s ILE 166 N -1.53 2.85 -0.04 0.64 -4.36 -0.32 -1.26 121.20 117.18 1jcj s ILE 166 Ca -0.14 -0.75 0.07 0.00 -0.26 0.00 0.00 60.65 59.57 1jcj s ILE 166 Cb -0.08 -2.16 -0.01 0.00 1.25 0.00 0.00 42.46 41.45 1jcj s ILE 166 CO 0.00 0.54 -0.25 -0.75 0.24 0.00 0.00 174.94 174.72 1jcj s LYS 167 N 0.18 2.32 0.13 0.37 2.20 0.25 -1.41 119.74 123.77 1jcj s LYS 167 Ca -0.09 -0.89 -0.15 0.00 -0.36 0.00 0.00 55.97 54.48 1jcj s LYS 167 Cb -0.15 -2.06 -0.02 0.00 -1.51 0.00 0.00 37.83 34.09 1jcj s LYS 167 CO 0.05 0.44 1.59 1.79 -0.36 0.00 0.00 175.35 178.87 1jcj h THR 168 N 4.86 1.25 -3.23 3.43 1.35 -1.57 -1.96 112.91 117.04 1jcj h THR 168 Ca -0.36 -0.93 -0.03 0.00 -0.55 0.00 0.00 66.41 64.54 1jcj h THR 168 Cb 1.16 1.06 -0.12 0.00 -1.73 0.00 0.00 68.15 68.52 1jcj h THR 168 CO 0.47 0.32 0.06 -0.44 -0.25 0.00 0.00 175.52 175.68 1jcj s SER 169 N -6.14 -0.35 0.31 5.36 0.01 -1.26 -0.99 113.70 110.63 1jcj s SER 169 Ca -0.13 -0.26 0.20 0.00 1.31 0.00 0.00 55.95 57.07 1jcj s SER 169 Cb 0.10 0.55 0.14 0.00 0.21 0.00 0.00 66.02 67.02 1jcj s SER 169 CO 0.79 -0.96 1.37 0.71 0.41 0.00 0.00 173.24 175.56 1jcj h THR 170 N 2.19 0.31 0.00 1.44 1.35 -1.93 -3.44 112.91 112.84 1jcj h THR 170 Ca -0.32 -1.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.07 1jcj h THR 170 Cb 1.28 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.73 1jcj h THR 170 CO 0.41 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 1jcj n GLY 171 N 1.18 0.92 0.21 5.82 0.00 -1.26 -4.89 105.19 107.16 1jcj n GLY 171 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1jcj n GLY 171 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jcj n LYS 172 N -2.14 0.15 -4.41 1.61 4.76 -1.26 -4.89 118.16 111.97 1jcj n LYS 172 Ca 0.00 -0.78 -0.29 0.00 -2.87 0.00 0.00 58.31 54.37 1jcj n LYS 172 Cb 0.00 -1.08 -0.06 0.00 -1.84 0.00 0.00 35.03 32.05 1jcj n LYS 172 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1jcj s VAL 173 N -0.54 1.55 0.22 -0.18 -7.23 -1.26 -5.06 120.40 107.91 1jcj s VAL 173 Ca 0.06 -1.82 -0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1jcj s VAL 173 Cb 0.05 -2.37 -0.00 0.00 0.56 0.00 0.00 36.38 34.62 1jcj s VAL 173 CO 0.08 0.00 1.59 0.00 -0.31 0.00 0.00 175.10 176.46 1jcj h ALA 174 N 1.24 0.86 -3.28 1.32 0.00 -1.94 -3.41 119.26 114.04 1jcj h ALA 174 Ca -0.42 -0.44 -0.67 0.00 0.00 0.00 0.00 54.91 53.38 1jcj h ALA 174 Cb 1.29 -0.11 -0.32 0.00 0.00 0.00 0.00 17.79 18.66 1jcj h ALA 174 CO 0.70 0.64 -0.85 0.08 0.00 0.00 0.00 179.25 179.82 1jcj s VAL 175 N -4.24 2.33 0.00 0.00 1.01 -1.26 -5.09 120.40 113.14 1jcj s VAL 175 Ca -0.07 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1jcj s VAL 175 Cb 0.12 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1jcj s VAL 175 CO 0.82 0.54 0.00 0.59 0.00 0.00 0.00 175.10 177.06 1jcj n ASN 176 N 3.72 0.00 -4.77 3.32 3.02 -1.26 -3.73 115.26 115.56 1jcj n ASN 176 Ca -0.19 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.95 1jcj n ASN 176 Cb 0.52 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.69 1jcj n ASN 176 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jcj n ALA 177 N -3.00 2.38 -2.52 5.41 0.00 -0.95 -4.57 120.51 117.27 1jcj n ALA 177 Ca 0.00 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.66 1jcj n ALA 177 Cb 0.00 -2.42 -0.11 0.00 0.00 0.00 0.00 19.45 16.92 1jcj n ALA 177 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jcj s THR 178 N -0.95 0.67 0.27 0.00 -4.23 -1.26 -4.96 115.64 105.18 1jcj s THR 178 Ca 0.55 -1.52 -0.02 0.00 -1.18 0.00 0.00 61.69 59.52 1jcj s THR 178 Cb -0.48 -1.17 0.27 0.00 1.34 0.00 0.00 72.50 72.46 1jcj s THR 178 CO 0.62 -0.61 1.88 -0.65 -0.54 0.00 0.00 174.62 175.32 1jcj h PRO 179 N 3.72 1.14 -0.42 3.99 0.11 -1.96 -1.21 132.00 137.38 1jcj h PRO 179 Ca -0.36 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 1jcj h PRO 179 Cb 1.18 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 1jcj h PRO 179 CO 0.52 0.75 0.17 1.49 -0.21 0.00 0.00 178.00 180.72 1jcj h GLU 180 N 1.17 0.62 -0.77 1.05 4.81 -1.99 -0.41 114.58 119.07 1jcj h GLU 180 Ca 0.43 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1jcj h GLU 180 Cb 0.18 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1jcj h GLU 180 CO -0.17 0.58 0.48 0.77 -0.73 0.00 0.00 179.01 179.94 1jcj h SER 181 N 0.53 0.91 -0.43 1.04 0.02 -1.88 -0.61 113.55 113.12 1jcj h SER 181 Ca 0.14 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1jcj h SER 181 Cb 0.19 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1jcj h SER 181 CO -0.01 0.69 0.25 0.00 -1.14 0.00 0.00 176.83 176.61 1jcj h ALA 182 N 1.26 0.55 -0.44 3.77 0.00 -0.94 -1.72 119.26 121.75 1jcj h ALA 182 Ca 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jcj h ALA 182 Cb -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1jcj h ALA 182 CO -0.06 0.06 0.28 -0.09 0.00 0.00 0.00 179.25 179.45 1jcj h ARG 183 N 0.57 0.59 -0.23 0.00 2.43 -0.61 -0.30 114.38 116.83 1jcj h ARG 183 Ca 0.15 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1jcj h ARG 183 Cb 0.03 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1jcj h ARG 183 CO -0.03 0.41 0.05 0.82 -1.51 0.00 0.00 179.97 179.71 1jcj h ILE 184 N 0.59 0.91 -0.56 1.20 2.04 -0.94 0.40 117.51 121.16 1jcj h ILE 184 Ca 0.16 -0.05 -0.06 0.00 1.00 0.00 0.00 64.86 65.91 1jcj h ILE 184 Cb -0.04 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1jcj h ILE 184 CO -0.03 0.03 0.10 0.24 0.00 0.00 0.00 178.15 178.49 1jcj h MET 185 N 0.14 0.91 -0.06 2.37 2.86 -1.11 -2.03 114.93 118.02 1jcj h MET 185 Ca 0.10 -0.24 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 1jcj h MET 185 Cb 0.09 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1jcj h MET 185 CO -0.13 0.87 -0.33 0.52 1.06 0.00 0.00 176.91 178.90 1jcj h MET 186 N 0.81 0.11 -0.19 1.72 2.86 -0.85 -2.01 114.93 117.38 1jcj h MET 186 Ca 0.17 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 1jcj h MET 186 Cb 0.39 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1jcj h MET 186 CO 0.01 0.43 -0.15 0.93 1.06 0.00 0.00 176.91 179.19 1jcj h GLU 187 N 0.10 0.32 -0.37 1.72 5.08 -0.44 -1.08 114.58 119.89 1jcj h GLU 187 Ca 0.01 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1jcj h GLU 187 Cb 0.63 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1jcj h GLU 187 CO 0.05 0.47 0.13 0.28 -1.00 0.00 0.00 179.01 178.94 1jcj h VAL 188 N 0.30 1.20 -0.53 3.13 2.07 -0.67 0.16 116.25 121.91 1jcj h VAL 188 Ca 0.06 -0.65 0.07 0.00 0.82 0.00 0.00 66.70 66.99 1jcj h VAL 188 Cb 0.45 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 1jcj h VAL 188 CO 0.03 0.23 0.20 0.40 0.02 0.00 0.00 177.57 178.45 1jcj h ILE 189 N 0.46 0.84 -0.22 4.57 2.04 -1.04 -0.65 117.51 123.51 1jcj h ILE 189 Ca 0.12 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1jcj h ILE 189 Cb 0.23 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1jcj h ILE 189 CO -0.01 0.07 0.12 -0.09 0.00 0.00 0.00 178.15 178.25 1jcj h ARG 190 N 0.39 0.30 -0.05 2.37 2.43 -0.94 -1.72 114.38 117.17 1jcj h ARG 190 Ca 0.25 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.32 1jcj h ARG 190 Cb 0.26 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1jcj h ARG 190 CO -0.24 0.27 -0.31 -0.44 -1.51 0.00 0.00 179.97 177.74 1jcj h ASP 191 N 0.25 0.09 0.38 -3.80 3.32 -0.15 -1.51 116.42 114.99 1jcj h ASP 191 Ca 0.08 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1jcj h ASP 191 Cb 0.06 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1jcj h ASP 191 CO -0.01 0.40 -0.28 0.23 -1.72 0.00 0.00 179.24 177.86 1jcj n MET 192 N -4.15 0.54 -2.31 3.56 2.81 -0.30 -4.96 117.12 112.31 1jcj n MET 192 Ca -0.02 -0.28 -0.14 0.00 -1.81 0.00 0.00 57.70 55.46 1jcj n MET 192 Cb 0.37 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.39 1jcj n MET 192 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jcj n GLY 193 N 1.38 -0.19 1.38 3.03 0.00 -0.57 -4.92 105.19 105.30 1jcj n GLY 193 Ca 0.11 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 1jcj n GLY 193 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jcj n VAL 194 N -4.02 2.66 -0.20 1.61 0.24 -0.73 -4.67 118.33 113.22 1jcj n VAL 194 Ca -0.16 -2.36 0.19 0.00 -2.04 0.00 0.00 64.34 59.97 1jcj n VAL 194 Cb 0.62 -0.34 0.54 0.00 -1.47 0.00 0.00 33.84 33.19 1jcj n VAL 194 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1jcj h GLU 195 N 1.28 0.34 -0.01 7.34 3.07 -1.84 -1.05 114.58 123.72 1jcj h GLU 195 Ca 0.26 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 58.95 1jcj h GLU 195 Cb 1.90 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.72 1jcj h GLU 195 CO 0.52 0.23 -0.71 -0.22 -1.40 0.00 0.00 179.01 177.43 1jcj h LYS 196 N 0.35 0.07 -0.00 2.33 3.64 -1.96 -3.37 116.57 117.62 1jcj h LYS 196 Ca 0.43 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1jcj h LYS 196 Cb 1.12 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1jcj h LYS 196 CO -0.14 0.74 -0.24 0.25 -2.27 0.00 0.00 179.45 177.80 1jcj n THR 197 N -3.73 0.00 -4.32 1.00 -2.24 -0.54 -4.96 114.28 99.49 1jcj n THR 197 Ca -0.02 -0.38 -0.26 0.00 -2.27 0.00 0.00 64.05 61.13 1jcj n THR 197 Cb 0.69 1.02 -0.17 0.00 -2.10 0.00 0.00 70.33 69.77 1jcj n THR 197 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1jcj s VAL 198 N -1.40 1.11 0.52 2.28 1.01 -0.51 -4.64 120.40 118.77 1jcj s VAL 198 Ca 0.03 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1jcj s VAL 198 Cb 0.05 -1.05 0.05 0.00 0.00 0.00 0.00 36.38 35.42 1jcj s VAL 198 CO 0.22 0.36 0.72 -0.83 0.00 0.00 0.00 175.10 175.57 1jcj s GLY 199 N 1.06 1.84 0.02 4.51 0.00 -0.30 -4.68 107.32 109.78 1jcj s GLY 199 Ca -0.07 -1.79 0.06 0.00 0.00 0.00 0.00 44.72 42.92 1jcj s GLY 199 CO -0.01 -1.46 -0.17 -0.12 0.00 0.00 0.00 173.10 171.34 1jcj s PHE 200 N -2.59 1.51 -0.21 1.90 5.36 -0.18 -1.17 117.98 122.59 1jcj s PHE 200 Ca 0.59 -0.33 -0.03 0.00 -0.96 0.00 0.00 56.93 56.19 1jcj s PHE 200 Cb -0.08 -0.93 0.07 0.00 -0.34 0.00 0.00 43.02 41.74 1jcj s PHE 200 CO 0.37 0.03 0.07 -1.17 -1.46 0.00 0.00 175.22 173.06 1jcj s LEU 201 N -0.88 0.98 0.17 6.12 0.20 -0.50 -2.55 118.68 122.22 1jcj s LEU 201 Ca 0.05 -0.93 -0.30 0.00 0.69 0.00 0.00 54.13 53.65 1jcj s LEU 201 Cb -0.08 -0.49 -0.07 0.00 -0.43 0.00 0.00 46.19 45.12 1jcj s LEU 201 CO 0.01 -0.35 1.04 -2.16 -0.29 0.00 0.00 176.35 174.60 1jcj s PRO 202 N 1.94 4.65 -0.06 0.98 0.04 -1.24 -1.52 135.00 139.80 1jcj s PRO 202 Ca 0.02 1.61 -0.12 0.00 0.04 0.00 0.00 61.00 62.56 1jcj s PRO 202 Cb -0.17 -3.31 0.02 0.00 0.04 0.00 0.00 34.50 31.09 1jcj s PRO 202 CO -0.14 0.17 0.29 0.00 0.04 0.00 0.00 177.00 177.35 1jcj s ALA 203 N -0.28 -0.72 0.00 8.56 0.00 -1.26 -1.70 121.76 126.36 1jcj s ALA 203 Ca 0.48 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1jcj s ALA 203 Cb -0.27 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1jcj s ALA 203 CO 0.33 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.30 1jcj n GLY 204 N 2.00 -1.01 2.45 0.00 0.00 -1.21 -2.24 105.19 105.18 1jcj n GLY 204 Ca -0.18 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1jcj n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcj n GLY 205 N 1.59 0.36 3.50 -0.02 0.00 -1.26 -2.80 105.19 106.54 1jcj n GLY 205 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1jcj n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jcj s VAL 206 N -1.78 4.37 -0.01 1.61 1.01 -1.26 -4.83 120.40 119.51 1jcj s VAL 206 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1jcj s VAL 206 Cb 0.00 -4.59 -0.02 0.00 0.00 0.00 0.00 36.38 31.77 1jcj s VAL 206 CO 0.00 -1.24 0.02 0.54 0.00 0.00 0.00 175.10 174.42 1jcj n ARG 207 N 7.55 1.99 -4.45 2.72 1.74 -1.26 -4.15 116.66 120.79 1jcj n ARG 207 Ca -0.00 -0.01 -0.24 0.00 -0.77 0.00 0.00 57.85 56.83 1jcj n ARG 207 Cb 0.47 -1.03 -0.10 0.00 -1.02 0.00 0.00 32.46 30.77 1jcj n ARG 207 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1jcj s THR 208 N -2.06 2.41 0.33 0.55 -4.23 -1.26 -4.32 115.64 107.06 1jcj s THR 208 Ca -0.01 -2.33 0.03 0.00 -1.18 0.00 0.00 61.69 58.20 1jcj s THR 208 Cb 0.01 -2.25 0.28 0.00 1.34 0.00 0.00 72.50 71.88 1jcj s THR 208 CO 0.06 -0.37 1.95 0.00 -0.54 0.00 0.00 174.62 175.72 1jcj h ALA 209 N 2.44 1.59 -0.33 3.99 0.00 -1.86 -1.26 119.26 123.83 1jcj h ALA 209 Ca -0.41 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1jcj h ALA 209 Cb 1.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1jcj h ALA 209 CO 0.58 0.31 -0.25 0.93 0.00 0.00 0.00 179.25 180.82 1jcj h GLU 210 N 0.90 0.67 -0.11 0.00 3.07 -1.95 -1.28 114.58 115.88 1jcj h GLU 210 Ca 0.33 -0.27 0.01 0.00 -0.50 0.00 0.00 59.36 58.92 1jcj h GLU 210 Cb 0.15 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1jcj h GLU 210 CO -0.11 0.86 0.05 -0.44 -1.40 0.00 0.00 179.01 177.97 1jcj h ASP 211 N 0.58 0.07 -0.63 1.42 3.32 -1.71 -2.80 116.42 116.67 1jcj h ASP 211 Ca 0.08 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1jcj h ASP 211 Cb 0.74 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 1jcj h ASP 211 CO 0.06 0.06 0.38 0.00 -1.72 0.00 0.00 179.24 178.01 1jcj h ALA 212 N 1.06 1.47 -0.54 3.45 0.00 -0.95 -2.00 119.26 121.75 1jcj h ALA 212 Ca 0.04 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1jcj h ALA 212 Cb 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1jcj h ALA 212 CO -0.04 0.46 0.36 0.37 0.00 0.00 0.00 179.25 180.40 1jcj h GLN 213 N 0.88 0.68 -0.51 0.00 4.15 -1.01 -2.24 115.11 117.07 1jcj h GLN 213 Ca 0.23 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.53 1jcj h GLN 213 Cb -0.03 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 1jcj h GLN 213 CO -0.04 0.45 -0.01 0.87 -1.93 0.00 0.00 178.83 178.17 1jcj h LYS 214 N 0.70 0.85 -0.06 1.69 1.57 -1.11 -1.24 116.57 118.97 1jcj h LYS 214 Ca 0.20 -0.24 -0.21 0.00 -1.87 0.00 0.00 60.65 58.53 1jcj h LYS 214 Cb -0.03 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.20 1jcj h LYS 214 CO -0.05 0.86 -0.78 1.88 -0.57 0.00 0.00 179.45 180.79 1jcj h TYR 215 N 0.79 0.91 -0.16 -1.35 0.05 -1.39 -3.06 116.97 112.76 1jcj h TYR 215 Ca 0.15 -0.45 -0.05 0.00 0.05 0.00 0.00 58.73 58.43 1jcj h TYR 215 Cb 0.48 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 1jcj h TYR 215 CO 0.03 1.27 -0.13 -0.07 -1.05 0.00 0.00 178.16 178.21 1jcj h LEU 216 N 0.29 0.24 -0.96 3.88 3.38 -1.32 -2.36 115.31 118.46 1jcj h LEU 216 Ca -0.08 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1jcj h LEU 216 Cb 1.43 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.08 1jcj h LEU 216 CO 0.16 0.39 0.51 0.00 0.09 0.00 0.00 178.44 179.59 1jcj h ALA 217 N 1.64 1.21 -0.25 1.53 0.00 -1.17 -0.32 119.26 121.90 1jcj h ALA 217 Ca 0.05 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1jcj h ALA 217 Cb 0.38 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jcj h ALA 217 CO 0.02 0.65 -0.31 0.82 0.00 0.00 0.00 179.25 180.43 1jcj h ILE 218 N 1.24 1.31 -0.50 0.00 2.04 -1.35 -1.82 117.51 118.43 1jcj h ILE 218 Ca 0.32 -1.50 0.03 0.00 1.00 0.00 0.00 64.86 64.71 1jcj h ILE 218 Cb -0.00 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1jcj h ILE 218 CO -0.05 0.47 0.28 0.00 0.00 0.00 0.00 178.15 178.85 1jcj h ALA 219 N 0.66 0.64 -0.37 1.87 0.00 -1.10 -1.27 119.26 119.69 1jcj h ALA 219 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1jcj h ALA 219 Cb 0.89 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1jcj h ALA 219 CO 0.07 -0.03 -0.18 -0.44 0.00 0.00 0.00 179.25 178.67 1jcj h ASP 220 N 0.56 0.70 -0.35 0.00 3.32 -0.99 -0.26 116.42 119.40 1jcj h ASP 220 Ca 0.21 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1jcj h ASP 220 Cb 0.06 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1jcj h ASP 220 CO -0.11 0.88 0.14 -0.08 -1.72 0.00 0.00 179.24 178.35 1jcj h GLU 221 N 0.62 0.53 0.03 3.56 4.81 -0.98 -0.03 114.58 123.12 1jcj h GLU 221 Ca 0.10 -0.10 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1jcj h GLU 221 Cb 0.66 -0.08 0.02 0.00 0.63 0.00 0.00 28.75 29.97 1jcj h GLU 221 CO 0.05 0.52 -1.06 -0.07 -0.73 0.00 0.00 179.01 177.72 1jcj h LEU 222 N 0.42 0.77 -0.86 1.64 3.38 -0.93 -3.39 115.31 116.34 1jcj h LEU 222 Ca 0.12 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1jcj h LEU 222 Cb 0.19 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1jcj h LEU 222 CO -0.01 1.45 0.00 0.49 0.09 0.00 0.00 178.44 180.46 1jcj n PHE 223 N -3.80 0.00 0.00 1.13 3.72 -0.13 -5.11 117.46 113.27 1jcj n PHE 223 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1jcj n PHE 223 Cb 0.89 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 1jcj n PHE 223 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jcj n GLY 224 N 0.02 -0.96 0.00 1.37 0.00 -0.03 -4.42 105.19 101.17 1jcj n GLY 224 Ca 0.00 -1.58 0.10 0.00 0.00 0.00 0.00 46.02 44.54 1jcj n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcj n ALA 225 N -0.57 1.99 1.12 4.61 0.00 -1.26 -2.64 120.51 123.76 1jcj n ALA 225 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1jcj n ALA 225 Cb 0.00 -1.35 0.24 0.00 0.00 0.00 0.00 19.45 18.34 1jcj n ALA 225 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jcj n ASP 226 N -1.49 1.02 -0.13 0.00 8.00 -1.26 -4.44 116.55 118.25 1jcj n ASP 226 Ca 0.05 -0.81 -0.13 0.00 0.71 0.00 0.00 54.79 54.62 1jcj n ASP 226 Cb 0.25 0.30 -0.02 0.00 -0.02 0.00 0.00 41.12 41.63 1jcj n ASP 226 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1jcj h TRP 227 N 0.92 1.11 -0.41 1.24 7.01 -1.71 -3.38 115.95 120.72 1jcj h TRP 227 Ca 0.00 -0.31 -0.69 0.00 2.11 0.00 0.00 58.89 59.99 1jcj h TRP 227 Cb 0.54 -0.24 -0.06 0.00 -2.10 0.00 0.00 29.16 27.30 1jcj h TRP 227 CO 0.00 1.14 2.68 0.00 -2.79 0.00 0.00 178.44 179.47 1jcj n ALA 228 N -2.53 4.57 -2.03 2.65 0.00 -1.26 -4.64 120.51 117.27 1jcj n ALA 228 Ca -0.02 -3.86 -0.20 0.00 0.00 0.00 0.00 53.44 49.37 1jcj n ALA 228 Cb 0.52 -3.57 0.06 0.00 0.00 0.00 0.00 19.45 16.45 1jcj n ALA 228 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1jcj s ASP 229 N 3.72 5.10 0.52 0.00 1.47 -1.26 -4.79 116.67 121.43 1jcj s ASP 229 Ca 0.50 -0.76 0.28 0.00 1.18 0.00 0.00 52.55 53.75 1jcj s ASP 229 Cb 0.09 0.17 1.45 0.00 -0.34 0.00 0.00 42.92 44.29 1jcj s ASP 229 CO -0.01 -1.32 2.07 0.00 0.68 0.00 0.00 175.17 176.59 1jcj h ALA 230 N 0.17 1.28 0.00 2.11 0.00 -1.91 0.26 119.26 121.16 1jcj h ALA 230 Ca -0.31 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1jcj h ALA 230 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1jcj h ALA 230 CO 0.41 0.14 0.00 -0.09 0.00 0.00 0.00 179.25 179.71 1jcj h ARG 231 N 0.00 0.00 -0.00 0.00 9.65 -1.95 -3.35 114.38 118.74 1jcj h ARG 231 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1jcj h ARG 231 Cb 0.33 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1jcj h ARG 231 CO 0.01 0.00 -0.17 0.72 2.80 0.00 0.00 179.97 183.34 1jcj n HIS 232 N -2.98 0.00 -3.67 2.20 8.25 -0.20 -4.26 115.22 114.55 1jcj n HIS 232 Ca 0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.37 1jcj n HIS 232 Cb 0.41 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.43 1jcj n HIS 232 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1jcj s TYR 233 N -1.26 -0.72 0.04 4.41 6.14 -0.09 -1.02 117.35 124.85 1jcj s TYR 233 Ca 0.02 1.61 -0.02 0.00 0.64 0.00 0.00 57.07 59.32 1jcj s TYR 233 Cb 0.03 0.32 -0.03 0.00 0.42 0.00 0.00 41.96 42.71 1jcj s TYR 233 CO 0.15 -0.36 0.02 1.03 0.64 0.00 0.00 175.55 177.03 1jcj s ARG 234 N 0.85 0.54 -0.30 4.97 1.81 -1.06 -4.35 118.95 121.43 1jcj s ARG 234 Ca -0.04 -0.93 -0.14 0.00 -1.72 0.00 0.00 55.73 52.89 1jcj s ARG 234 Cb -0.05 0.20 -0.03 0.00 -0.45 0.00 0.00 34.95 34.61 1jcj s ARG 234 CO -0.07 -0.11 0.33 -0.06 -0.68 0.00 0.00 175.30 174.71 1jcj s PHE 235 N -2.96 3.23 -0.45 -0.53 0.08 -0.57 -3.68 117.98 113.09 1jcj s PHE 235 Ca -0.02 0.20 -0.24 0.00 0.12 0.00 0.00 56.93 56.99 1jcj s PHE 235 Cb 0.01 -2.56 0.03 0.00 -0.57 0.00 0.00 43.02 39.92 1jcj s PHE 235 CO -0.06 -0.28 0.83 0.20 -0.10 0.00 0.00 175.22 175.81 1jcj s GLY 236 N 1.70 1.56 -0.22 4.36 0.00 -0.69 -0.50 107.32 113.53 1jcj s GLY 236 Ca 0.12 -0.91 -0.17 0.00 0.00 0.00 0.00 44.72 43.76 1jcj s GLY 236 CO 0.11 1.87 0.56 0.00 0.00 0.00 0.00 173.10 175.64 1jcj s ALA 237 N 3.44 -1.43 -0.14 3.20 0.00 -1.02 -3.36 121.76 122.45 1jcj s ALA 237 Ca 0.32 1.75 0.21 0.00 0.00 0.00 0.00 51.96 54.24 1jcj s ALA 237 Cb -0.11 -1.03 -0.16 0.00 0.00 0.00 0.00 23.12 21.82 1jcj s ALA 237 CO 0.24 -0.29 0.73 0.43 0.00 0.00 0.00 175.76 176.87 1jcj n SER 238 N 3.33 0.51 -2.35 0.00 7.64 -1.26 -1.23 113.62 120.25 1jcj n SER 238 Ca -0.17 0.21 0.01 0.00 1.01 0.00 0.00 58.87 59.93 1jcj n SER 238 Cb 0.56 0.94 0.04 0.00 -1.01 0.00 0.00 64.21 64.74 1jcj n SER 238 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1jcj n SER 239 N -2.59 1.26 -0.06 6.43 7.64 -1.26 -4.77 113.62 120.26 1jcj n SER 239 Ca -0.06 -2.02 -0.07 0.00 1.01 0.00 0.00 58.87 57.73 1jcj n SER 239 Cb 0.67 -0.38 -0.08 0.00 -1.01 0.00 0.00 64.21 63.42 1jcj n SER 239 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1jcj n LEU 240 N -0.24 1.23 -0.29 -3.43 7.94 -1.26 -4.57 117.00 116.38 1jcj n LEU 240 Ca 0.06 -0.03 -0.03 0.00 -1.11 0.00 0.00 56.01 54.89 1jcj n LEU 240 Cb 0.92 -0.04 0.08 0.00 0.53 0.00 0.00 43.42 44.91 1jcj n LEU 240 CO 0.02 0.46 1.20 0.25 -1.11 0.00 0.00 177.39 178.21 1jcj h LEU 241 N 0.00 0.88 -1.15 -1.96 5.85 -1.88 -1.96 115.31 115.09 1jcj h LEU 241 Ca -0.30 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.41 1jcj h LEU 241 Cb 1.59 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 1jcj h LEU 241 CO -0.01 0.62 0.57 0.00 -0.34 0.00 0.00 178.44 179.28 1jcj h ALA 242 N 1.31 1.38 -0.51 1.25 0.00 -1.93 -0.53 119.26 120.22 1jcj h ALA 242 Ca 0.30 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1jcj h ALA 242 Cb -0.07 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 1jcj h ALA 242 CO -0.08 0.57 -0.00 1.03 0.00 0.00 0.00 179.25 180.77 1jcj h SER 243 N 1.17 0.89 -0.27 0.00 0.87 -1.64 -0.79 113.55 113.77 1jcj h SER 243 Ca 0.32 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1jcj h SER 243 Cb -0.13 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.57 1jcj h SER 243 CO -0.07 0.98 0.14 -0.07 -0.53 0.00 0.00 176.83 177.29 1jcj h LEU 244 N 0.78 0.35 -1.00 2.23 3.38 -0.89 -1.02 115.31 119.14 1jcj h LEU 244 Ca 0.15 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1jcj h LEU 244 Cb 0.53 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1jcj h LEU 244 CO 0.03 0.34 0.25 -0.07 0.09 0.00 0.00 178.44 179.09 1jcj h LEU 245 N 0.32 0.90 -0.62 1.67 3.38 -0.97 -1.94 115.31 118.06 1jcj h LEU 245 Ca 0.10 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1jcj h LEU 245 Cb 0.08 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1jcj h LEU 245 CO -0.01 0.81 0.20 0.50 0.09 0.00 0.00 178.44 180.02 1jcj h LYS 246 N 0.96 0.95 0.00 1.13 3.64 -0.93 0.17 116.57 122.50 1jcj h LYS 246 Ca 0.22 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1jcj h LYS 246 Cb 0.20 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1jcj h LYS 246 CO -0.02 0.84 -0.04 0.00 -2.27 0.00 0.00 179.45 177.97 1jcj h ALA 247 N 1.07 1.90 -0.00 5.00 0.00 -0.61 -1.86 119.26 124.74 1jcj h ALA 247 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1jcj h ALA 247 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1jcj h ALA 247 CO -0.01 0.05 -0.28 1.28 0.00 0.00 0.00 179.25 180.29 1jcj n LEU 248 N -4.43 0.53 0.00 0.00 4.77 -0.78 -4.74 117.00 112.34 1jcj n LEU 248 Ca -0.03 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1jcj n LEU 248 Cb 0.12 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1jcj n LEU 248 CO 0.34 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1jcj n GLY 249 N 1.41 0.86 2.72 -0.72 0.00 -0.63 -4.96 105.19 103.88 1jcj n GLY 249 Ca 0.09 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1jcj n GLY 249 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jcj n HIS 250 N -2.25 3.17 0.00 1.61 8.25 0.51 -5.00 115.22 121.51 1jcj n HIS 250 Ca 0.00 -2.68 0.00 0.00 -0.26 0.00 0.00 57.72 54.78 1jcj n HIS 250 Cb 0.00 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 30.42 1jcj n HIS 250 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39