#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 3.48 0.96 1.57 1.00 -1.26 -5.10 119.30 119.96 1jcj s MET 1 Ca 0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 55.69 55.22 1jcj s MET 1 Cb 0.00 -3.01 0.14 0.00 0.00 0.00 0.00 34.83 31.96 1jcj s MET 1 CO 0.00 0.51 0.93 0.25 0.00 0.00 0.00 175.02 176.71 1jcj n THR 2 N 2.77 0.00 -0.33 2.05 -2.24 -1.26 -4.71 114.28 110.55 1jcj n THR 2 Ca -0.18 -0.11 -0.02 0.00 -2.27 0.00 0.00 64.05 61.47 1jcj n THR 2 Cb 0.53 -0.90 0.10 0.00 -2.10 0.00 0.00 70.33 67.96 1jcj n THR 2 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1jcj h ASP 3 N -1.93 1.01 -0.54 3.42 3.32 -1.99 0.19 116.42 119.90 1jcj h ASP 3 Ca -0.46 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.48 1jcj h ASP 3 Cb 1.28 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 1jcj h ASP 3 CO 0.40 0.72 -0.04 0.25 -1.72 0.00 0.00 179.24 178.86 1jcj h LEU 4 N 1.19 0.97 -0.22 1.55 5.85 -1.99 -0.89 115.31 121.78 1jcj h LEU 4 Ca 0.34 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1jcj h LEU 4 Cb -0.09 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.67 1jcj h LEU 4 CO -0.09 1.06 0.10 0.11 -0.34 0.00 0.00 178.44 179.28 1jcj h LYS 5 N 0.86 0.32 -0.60 1.25 1.57 -1.77 0.09 116.57 118.28 1jcj h LYS 5 Ca 0.15 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1jcj h LYS 5 Cb 0.58 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1jcj h LYS 5 CO 0.03 0.35 0.28 0.00 -0.57 0.00 0.00 179.45 179.55 1jcj h ALA 6 N 0.95 0.78 -0.46 3.86 0.00 -0.80 -1.41 119.26 122.19 1jcj h ALA 6 Ca 0.07 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1jcj h ALA 6 Cb 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1jcj h ALA 6 CO -0.01 0.35 -0.06 1.03 0.00 0.00 0.00 179.25 180.56 1jcj h SER 7 N 0.83 0.78 -0.27 0.00 0.87 -1.01 -2.16 113.55 112.59 1jcj h SER 7 Ca 0.21 -0.22 -0.15 0.00 -1.23 0.00 0.00 61.79 60.40 1jcj h SER 7 Cb 0.13 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1jcj h SER 7 CO -0.02 0.89 -0.39 0.28 -0.53 0.00 0.00 176.83 177.05 1jcj h SER 8 N 0.74 0.87 -0.52 6.23 0.02 -0.50 0.81 113.55 121.20 1jcj h SER 8 Ca 0.13 -0.40 -0.05 0.00 -0.84 0.00 0.00 61.79 60.64 1jcj h SER 8 Cb 0.53 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1jcj h SER 8 CO 0.03 1.15 0.12 0.25 -1.14 0.00 0.00 176.83 177.25 1jcj h LEU 9 N 0.67 0.79 -0.37 5.07 5.85 -1.21 -0.99 115.31 125.11 1jcj h LEU 9 Ca 0.06 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1jcj h LEU 9 Cb 0.96 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1jcj h LEU 9 CO 0.09 0.82 0.21 -0.09 -0.34 0.00 0.00 178.44 179.13 1jcj h ARG 10 N 0.72 0.50 -0.89 1.25 2.43 -1.12 -2.32 114.38 114.95 1jcj h ARG 10 Ca 0.16 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1jcj h ARG 10 Cb 0.34 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 1jcj h ARG 10 CO 0.00 0.40 0.52 0.00 -1.51 0.00 0.00 179.97 179.38 1jcj h ALA 11 N 1.08 1.13 -0.34 2.80 0.00 -0.69 -2.03 119.26 121.21 1jcj h ALA 11 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jcj h ALA 11 Cb 0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1jcj h ALA 11 CO -0.02 0.60 0.22 1.25 0.00 0.00 0.00 179.25 181.30 1jcj h LEU 12 N 1.23 0.39 -0.19 0.00 6.46 -0.92 -1.96 115.31 120.31 1jcj h LEU 12 Ca 0.32 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.07 1jcj h LEU 12 Cb -0.03 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 39.80 1jcj h LEU 12 CO -0.06 0.28 0.00 0.29 -0.62 0.00 0.00 178.44 178.33 1jcj n LYS 13 N -4.85 0.07 -0.14 1.25 5.02 -0.90 -2.07 118.16 116.55 1jcj n LYS 13 Ca -0.01 0.26 0.11 0.00 -2.02 0.00 0.00 58.31 56.65 1jcj n LYS 13 Cb 0.02 -1.62 0.17 0.00 -0.02 0.00 0.00 35.03 33.58 1jcj n LYS 13 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1jcj n LEU 14 N -1.75 3.18 -4.76 -0.35 4.77 -0.80 -3.08 117.00 114.22 1jcj n LEU 14 Ca 0.04 -1.41 -0.40 0.00 -0.03 0.00 0.00 56.01 54.21 1jcj n LEU 14 Cb 0.23 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1jcj n LEU 14 CO 0.18 0.66 0.68 -0.04 -1.33 0.00 0.00 177.39 177.54 1jcj s MET 15 N -1.46 4.78 -0.83 3.23 -1.94 -0.80 -1.41 119.30 120.87 1jcj s MET 15 Ca 0.33 1.53 -0.15 0.00 -1.71 0.00 0.00 55.69 55.68 1jcj s MET 15 Cb 0.20 -3.20 0.19 0.00 2.01 0.00 0.00 34.83 34.03 1jcj s MET 15 CO 0.28 0.43 0.84 -0.51 -0.01 0.00 0.00 175.02 176.05 1jcj s ASP 16 N -1.18 6.69 -0.10 3.03 1.11 0.31 -1.43 116.67 125.10 1jcj s ASP 16 Ca 0.43 -2.46 -0.30 0.00 0.18 0.00 0.00 52.55 50.40 1jcj s ASP 16 Cb -0.26 -2.26 -0.04 0.00 1.07 0.00 0.00 42.92 41.43 1jcj s ASP 16 CO 0.33 -0.72 1.46 -0.22 1.18 0.00 0.00 175.17 177.20 1jcj s LEU 17 N 0.90 4.26 0.01 1.23 2.96 -0.43 -2.44 118.68 125.17 1jcj s LEU 17 Ca 0.21 1.98 0.06 0.00 -0.22 0.00 0.00 54.13 56.16 1jcj s LEU 17 Cb -0.10 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.02 1jcj s LEU 17 CO -0.08 -0.84 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.07 1jcj s THR 18 N 3.66 2.97 -0.06 3.68 2.01 -0.33 -0.72 115.64 126.85 1jcj s THR 18 Ca 0.64 -1.02 -0.02 0.00 0.31 0.00 0.00 61.69 61.60 1jcj s THR 18 Cb -0.28 -2.23 0.04 0.00 0.01 0.00 0.00 72.50 70.03 1jcj s THR 18 CO 0.23 0.41 0.07 0.28 -0.69 0.00 0.00 174.62 174.91 1jcj s THR 19 N -0.89 -0.12 -0.43 -0.82 -1.32 -0.56 -4.19 115.64 107.31 1jcj s THR 19 Ca 0.14 0.35 0.06 0.00 -1.21 0.00 0.00 61.69 61.03 1jcj s THR 19 Cb -0.11 -0.21 0.21 0.00 -1.51 0.00 0.00 72.50 70.88 1jcj s THR 19 CO 0.05 0.12 0.46 0.18 -2.21 0.00 0.00 174.62 173.21 1jcj n LEU 20 N 5.30 0.30 -4.31 9.08 4.77 -1.26 -4.15 117.00 126.73 1jcj n LEU 20 Ca -0.04 -4.64 -0.16 0.00 -0.03 0.00 0.00 56.01 51.14 1jcj n LEU 20 Cb 0.50 0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 41.92 1jcj n LEU 20 CO 0.06 1.96 -0.38 0.20 -1.33 0.00 0.00 177.39 177.91 1jcj s ASN 21 N -0.76 1.98 0.27 -1.43 0.01 -1.26 -5.02 114.94 108.74 1jcj s ASN 21 Ca 0.34 -1.11 -0.03 0.00 -0.71 0.00 0.00 52.86 51.35 1jcj s ASN 21 Cb 0.10 -0.03 0.35 0.00 0.41 0.00 0.00 41.25 42.08 1jcj s ASN 21 CO -0.15 -0.38 1.88 0.44 -1.51 0.00 0.00 177.10 177.38 1jcj h ASP 22 N 2.59 0.95 -0.50 -1.22 5.19 -2.07 -2.13 116.42 119.23 1jcj h ASP 22 Ca -0.38 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1jcj h ASP 22 Cb 1.21 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.48 1jcj h ASP 22 CO 0.64 0.79 0.00 -0.90 -3.12 0.00 0.00 179.24 176.65 1jcj n ASP 23 N -4.34 5.02 -4.74 6.45 5.75 -1.26 -4.96 116.55 118.47 1jcj n ASP 23 Ca 0.07 -2.77 -0.38 0.00 -0.01 0.00 0.00 54.79 51.71 1jcj n ASP 23 Cb 0.12 -0.65 0.05 0.00 -1.03 0.00 0.00 41.12 39.61 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 -0.68 5.04 0.19 -1.12 1.01 -0.80 -5.02 116.67 115.29 1jcj s ASP 24 Ca 0.47 2.66 -0.04 0.00 0.71 0.00 0.00 52.55 56.35 1jcj s ASP 24 Cb 0.35 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.63 1jcj s ASP 24 CO 0.14 -1.71 0.19 0.42 0.21 0.00 0.00 175.17 174.42 1jcj s THR 25 N -1.37 0.03 0.24 -1.27 -4.23 -1.26 -5.04 115.64 102.73 1jcj s THR 25 Ca 0.76 -1.83 -0.06 0.00 -1.18 0.00 0.00 61.69 59.38 1jcj s THR 25 Cb -0.38 -2.30 0.24 0.00 1.34 0.00 0.00 72.50 71.40 1jcj s THR 25 CO 0.43 -0.12 1.91 0.44 -0.54 0.00 0.00 174.62 176.74 1jcj h ASP 26 N 2.60 1.07 -0.81 3.99 3.32 -1.99 -1.22 116.42 123.38 1jcj h ASP 26 Ca -0.34 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 56.72 1jcj h ASP 26 Cb 1.24 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 40.48 1jcj h ASP 26 CO 0.51 0.76 0.51 -0.33 -1.72 0.00 0.00 179.24 178.97 1jcj h GLU 27 N 1.25 0.97 -0.41 3.56 3.07 -1.99 0.74 114.58 121.78 1jcj h GLU 27 Ca 0.36 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 59.04 1jcj h GLU 27 Cb -0.09 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.59 1jcj h GLU 27 CO -0.09 0.64 -0.23 0.87 -1.40 0.00 0.00 179.01 178.80 1jcj h LYS 28 N 1.00 0.88 -0.38 2.33 1.57 -1.84 -1.11 116.57 119.03 1jcj h LYS 28 Ca 0.32 -0.40 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 1jcj h LYS 28 Cb 0.02 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1jcj h LYS 28 CO -0.12 1.05 -0.33 0.28 -0.57 0.00 0.00 179.45 179.76 1jcj h VAL 29 N 0.70 1.28 -0.52 0.50 2.07 -0.74 -1.12 116.25 118.42 1jcj h VAL 29 Ca 0.09 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 1jcj h VAL 29 Cb 0.80 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1jcj h VAL 29 CO 0.07 0.50 0.31 0.40 0.02 0.00 0.00 177.57 178.87 1jcj h ILE 30 N 0.71 1.16 -0.96 4.57 2.04 -0.74 -0.65 117.51 123.64 1jcj h ILE 30 Ca 0.07 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1jcj h ILE 30 Cb 0.89 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1jcj h ILE 30 CO 0.08 0.16 0.61 0.00 0.00 0.00 0.00 178.15 179.00 1jcj h ALA 31 N 1.15 1.22 -0.76 1.87 0.00 -1.02 -1.80 119.26 119.92 1jcj h ALA 31 Ca 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1jcj h ALA 31 Cb -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.35 1jcj h ALA 31 CO -0.03 0.65 0.43 1.25 0.00 0.00 0.00 179.25 181.54 1jcj h LEU 32 N 1.31 0.94 -0.77 0.00 5.85 -0.56 -1.15 115.31 120.92 1jcj h LEU 32 Ca 0.35 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.00 1jcj h LEU 32 Cb -0.10 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.65 1jcj h LEU 32 CO -0.07 0.75 0.50 0.00 -0.34 0.00 0.00 178.44 179.28 1jcj h HIS 34 N 1.00 1.01 -0.08 0.00 3.86 -0.91 -2.63 115.15 117.39 1jcj h HIS 34 Ca 0.30 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1jcj h HIS 34 Cb -0.05 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 1jcj h HIS 34 CO -0.03 0.84 -0.05 0.37 0.86 0.00 0.00 177.93 179.93 1jcj h GLN 35 N 0.92 0.11 0.00 2.45 4.15 -0.52 -2.76 115.11 119.46 1jcj h GLN 35 Ca 0.19 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 1jcj h GLN 35 Cb 0.36 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 1jcj h GLN 35 CO 0.00 0.17 -0.10 0.00 -1.93 0.00 0.00 178.83 176.98 1jcj h ALA 36 N 1.84 1.02 -2.18 3.38 0.00 -0.90 -3.35 119.26 119.07 1jcj h ALA 36 Ca 0.03 -0.09 -0.72 0.00 0.00 0.00 0.00 54.91 54.13 1jcj h ALA 36 Cb 0.17 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 17.74 1jcj h ALA 36 CO 0.01 0.13 0.61 0.21 0.00 0.00 0.00 179.25 180.20 1jcj s LYS 37 N -3.67 3.59 0.40 0.00 2.20 -1.04 -1.41 119.74 119.80 1jcj s LYS 37 Ca 0.01 -1.94 0.04 0.00 -0.36 0.00 0.00 55.97 53.72 1jcj s LYS 37 Cb 0.10 -4.76 -0.00 0.00 -1.51 0.00 0.00 37.83 31.65 1jcj s LYS 37 CO 0.59 -1.63 0.57 0.95 -0.36 0.00 0.00 175.35 175.47 1jcj s THR 38 N 1.98 3.88 -0.16 3.43 -4.23 -0.63 -5.00 115.64 114.91 1jcj s THR 38 Ca 0.28 -0.79 0.27 0.00 -1.18 0.00 0.00 61.69 60.27 1jcj s THR 38 Cb -0.07 -3.38 0.29 0.00 1.34 0.00 0.00 72.50 70.68 1jcj s THR 38 CO -0.09 -0.20 1.82 -0.65 -0.54 0.00 0.00 174.62 174.97 1jcj h PRO 39 N 0.64 0.00 -0.22 3.99 0.11 -1.96 -2.63 132.00 131.94 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 0.54 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 179.66 1jcj n VAL 40 N -2.49 0.43 0.00 3.15 0.24 -1.26 -5.09 118.33 113.30 1jcj n VAL 40 Ca 0.00 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 1jcj n VAL 40 Cb 0.17 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 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 0.88 2.34 3.90 7.63 0.00 -0.99 -5.06 105.19 113.89 1jcj n GLY 41 Ca 0.12 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 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 6.48 0.91 1.61 0.01 -1.26 -1.60 114.94 121.09 1jcj s ASN 42 Ca 0.00 0.58 -0.11 0.00 -0.71 0.00 0.00 52.86 52.61 1jcj s ASN 42 Cb 0.00 -2.08 0.14 0.00 0.41 0.00 0.00 41.25 39.71 1jcj s ASN 42 CO 0.00 0.03 1.09 0.42 -1.51 0.00 0.00 177.10 177.13 1jcj s THR 43 N -1.70 2.62 0.26 1.60 -4.23 -0.50 -4.36 115.64 109.32 1jcj s THR 43 Ca 0.41 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 1jcj s THR 43 Cb -0.12 -2.59 0.06 0.00 1.34 0.00 0.00 72.50 71.19 1jcj s THR 43 CO 0.25 -0.26 1.69 0.00 -0.54 0.00 0.00 174.62 175.76 1jcj h ALA 44 N -1.63 1.03 -2.98 3.99 0.00 -1.17 -3.44 119.26 115.05 1jcj h ALA 44 Ca -0.49 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.14 1jcj h ALA 44 Cb 1.28 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1jcj h ALA 44 CO 0.52 0.58 0.24 0.00 0.00 0.00 0.00 179.25 180.59 1jcj s ALA 45 N -4.53 -1.25 0.26 0.00 0.00 -0.69 -1.73 121.76 113.82 1jcj s ALA 45 Ca -0.08 -0.26 0.11 0.00 0.00 0.00 0.00 51.96 51.74 1jcj s ALA 45 Cb 0.14 0.85 -0.05 0.00 0.00 0.00 0.00 23.12 24.05 1jcj s ALA 45 CO 0.80 -1.03 -0.16 0.96 0.00 0.00 0.00 175.76 176.33 1jcj s ILE 46 N -3.90 2.68 -0.10 0.00 -4.36 -0.10 -1.31 121.20 114.11 1jcj s ILE 46 Ca 0.11 -2.25 -0.01 0.00 -0.26 0.00 0.00 60.65 58.24 1jcj s ILE 46 Cb -0.06 -2.40 0.03 0.00 1.25 0.00 0.00 42.46 41.28 1jcj s ILE 46 CO 0.06 -0.36 -0.04 0.00 0.24 0.00 0.00 174.94 174.84 1jcj s ILE 48 N 1.82 0.08 0.61 0.00 -4.36 -0.86 -1.49 121.20 117.00 1jcj s ILE 48 Ca 0.05 -1.76 -0.18 0.00 -0.26 0.00 0.00 60.65 58.51 1jcj s ILE 48 Cb -0.12 -2.01 -0.03 0.00 1.25 0.00 0.00 42.46 41.55 1jcj s ILE 48 CO -0.07 -0.38 1.15 -0.31 0.24 0.00 0.00 174.94 175.56 1jcj s TYR 49 N -4.03 2.53 0.34 1.37 2.02 -1.26 -4.09 117.35 114.23 1jcj s TYR 49 Ca 0.23 1.55 0.05 0.00 -0.37 0.00 0.00 57.07 58.53 1jcj s TYR 49 Cb 0.06 -3.31 0.70 0.00 -0.40 0.00 0.00 41.96 39.01 1jcj s TYR 49 CO 0.02 -1.85 1.92 -1.35 -1.57 0.00 0.00 175.55 172.72 1jcj h PRO 50 N 0.63 0.79 0.00 -1.71 0.11 -1.94 -1.61 132.00 128.27 1jcj h PRO 50 Ca -0.49 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 1jcj h PRO 50 Cb 1.27 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1jcj h PRO 50 CO 0.55 0.52 -0.00 0.07 -0.21 0.00 0.00 178.00 178.93 1jcj h ARG 51 N 0.81 0.00 -0.05 1.05 0.11 -1.98 -1.57 114.38 112.75 1jcj h ARG 51 Ca 0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.45 1jcj h ARG 51 Cb 0.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.44 1jcj h ARG 51 CO -0.14 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.12 1jcj n PHE 52 N -3.11 0.05 -0.02 4.08 3.72 -0.61 -4.46 117.46 117.11 1jcj n PHE 52 Ca -0.02 -0.02 -0.10 0.00 -0.05 0.00 0.00 57.45 57.25 1jcj n PHE 52 Cb 0.12 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.62 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 2.94 0.98 -0.74 4.37 2.04 -1.39 -1.32 117.51 124.40 1jcj h ILE 53 Ca 0.00 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1jcj h ILE 53 Cb 0.63 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 1jcj h ILE 53 CO 0.00 0.02 0.42 -0.65 0.00 0.00 0.00 178.15 177.94 1jcj h PRO 54 N 0.13 1.02 -0.17 2.37 0.11 -1.78 -0.24 132.00 133.43 1jcj h PRO 54 Ca 0.06 -0.11 -0.12 0.00 0.11 0.00 0.00 66.00 65.94 1jcj h PRO 54 Cb 0.02 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.92 1jcj h PRO 54 CO -0.05 0.74 -0.43 0.97 -0.21 0.00 0.00 178.00 179.02 1jcj h ILE 55 N 1.01 1.31 -0.48 4.15 6.09 -1.83 -2.21 117.51 125.55 1jcj h ILE 55 Ca 0.26 -1.59 -0.07 0.00 -1.37 0.00 0.00 64.86 62.09 1jcj h ILE 55 Cb 0.01 1.64 -0.02 0.00 0.47 0.00 0.00 36.82 38.92 1jcj h ILE 55 CO -0.04 0.49 0.04 0.00 -3.07 0.00 0.00 178.15 175.56 1jcj h ALA 56 N 1.21 0.65 -0.48 0.18 0.00 -0.78 -0.95 119.26 119.09 1jcj h ALA 56 Ca 0.03 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1jcj h ALA 56 Cb 0.89 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1jcj h ALA 56 CO 0.07 0.42 0.29 -0.09 0.00 0.00 0.00 179.25 179.94 1jcj h ARG 57 N 0.69 0.56 -0.82 0.00 9.65 -0.86 -0.11 114.38 123.49 1jcj h ARG 57 Ca 0.14 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.98 1jcj h ARG 57 Cb 0.45 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.87 1jcj h ARG 57 CO 0.02 0.37 0.48 -0.22 2.80 0.00 0.00 179.97 183.42 1jcj h LYS 58 N 0.58 1.11 -0.25 0.20 3.64 -1.24 -1.58 116.57 119.03 1jcj h LYS 58 Ca 0.19 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1jcj h LYS 58 Cb 0.01 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1jcj h LYS 58 CO -0.09 0.79 -0.12 1.15 -2.27 0.00 0.00 179.45 178.92 1jcj h THR 59 N 1.12 1.30 -0.80 1.00 2.02 -0.64 -0.77 112.91 116.14 1jcj h THR 59 Ca 0.29 -1.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 1jcj h THR 59 Cb -0.03 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 1jcj h THR 59 CO -0.05 0.37 0.49 -0.07 0.37 0.00 0.00 175.52 176.63 1jcj h LEU 60 N 0.24 0.95 -0.30 2.58 3.38 -0.94 -2.22 115.31 119.00 1jcj h LEU 60 Ca 0.06 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1jcj h LEU 60 Cb 0.62 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1jcj h LEU 60 CO 0.04 0.73 -0.15 0.50 0.09 0.00 0.00 178.44 179.64 1jcj h LYS 61 N 1.10 0.63 -0.24 1.13 3.64 -1.05 -0.37 116.57 121.42 1jcj h LYS 61 Ca 0.29 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1jcj h LYS 61 Cb -0.06 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1jcj h LYS 61 CO -0.06 0.86 -0.08 1.05 -2.27 0.00 0.00 179.45 178.95 1jcj h GLU 62 N 0.39 0.39 -0.22 1.90 4.11 -0.90 -1.68 114.58 118.57 1jcj h GLU 62 Ca 0.07 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1jcj h GLU 62 Cb 0.68 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1jcj h GLU 62 CO 0.05 0.48 0.00 0.00 0.07 0.00 0.00 179.01 179.61 1jcj n GLN 63 N -4.26 1.64 -1.51 1.06 10.64 -0.86 -4.92 117.38 119.18 1jcj n GLN 63 Ca 0.00 -0.98 -0.01 0.00 -1.83 0.00 0.00 57.00 54.18 1jcj n GLN 63 Cb 0.27 -1.30 -0.00 0.00 -0.86 0.00 0.00 30.24 28.34 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 1.02 0.40 2.67 2.61 0.00 -0.63 -4.97 105.19 106.29 1jcj n GLY 64 Ca 0.13 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.46 2.01 0.49 2.61 -2.24 -0.17 -4.88 114.28 108.65 1jcj n THR 65 Ca -0.01 -5.09 0.09 0.00 -2.27 0.00 0.00 64.05 56.77 1jcj n THR 65 Cb 0.27 -0.96 0.40 0.00 -2.10 0.00 0.00 70.33 67.94 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 -0.13 0.08 0.00 -0.78 -0.04 -1.24 -2.33 135.00 130.56 1jcj n PRO 66 Ca 0.29 0.30 0.14 0.00 -0.04 0.00 0.00 63.50 64.19 1jcj n PRO 66 Cb 0.52 -1.65 0.58 0.00 -0.04 0.00 0.00 33.50 32.91 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 -1.80 0.08 -2.02 0.54 0.00 -1.26 -4.71 120.64 111.46 1jcj n GLU 67 Ca 0.03 -0.01 -0.42 0.00 0.00 0.00 0.00 57.16 56.76 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 -2.93 3.49 0.52 3.84 1.01 -0.98 -4.94 121.20 121.20 1jcj s ILE 68 Ca 0.16 0.71 -0.18 0.00 0.00 0.00 0.00 60.65 61.34 1jcj s ILE 68 Cb 0.19 -3.46 -0.07 0.00 0.01 0.00 0.00 42.46 39.13 1jcj s ILE 68 CO 0.55 -0.04 1.00 -0.13 0.00 0.00 0.00 174.94 176.32 1jcj s ARG 69 N 3.56 3.83 -0.29 2.79 1.81 -0.71 -4.86 118.95 125.08 1jcj s ARG 69 Ca 0.72 1.09 -0.04 0.00 -1.72 0.00 0.00 55.73 55.78 1jcj s ARG 69 Cb -0.34 -2.11 0.03 0.00 -0.45 0.00 0.00 34.95 32.07 1jcj s ARG 69 CO 0.30 -0.38 0.03 0.42 -0.68 0.00 0.00 175.30 174.99 1jcj s ILE 70 N -2.44 3.43 0.19 1.52 1.01 -1.26 -0.93 121.20 122.73 1jcj s ILE 70 Ca 0.61 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 60.30 1jcj s ILE 70 Cb -0.12 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1jcj s ILE 70 CO 0.28 0.02 0.24 0.00 0.00 0.00 0.00 174.94 175.48 1jcj s ALA 71 N 1.38 3.77 0.36 9.38 0.00 0.36 -0.57 121.76 136.44 1jcj s ALA 71 Ca -0.01 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.76 1jcj s ALA 71 Cb -0.18 -1.56 -0.00 0.00 0.00 0.00 0.00 23.12 21.38 1jcj s ALA 71 CO -0.00 0.41 0.45 -0.08 0.00 0.00 0.00 175.76 176.54 1jcj s THR 72 N -1.87 0.00 0.03 0.00 -1.32 -0.76 -2.02 115.64 109.70 1jcj s THR 72 Ca 0.33 -1.68 0.07 0.00 -1.21 0.00 0.00 61.69 59.20 1jcj s THR 72 Cb -0.10 -2.66 -0.02 0.00 -1.51 0.00 0.00 72.50 68.21 1jcj s THR 72 CO 0.26 0.00 -0.20 0.68 -2.21 0.00 0.00 174.62 173.15 1jcj s VAL 73 N -2.98 1.64 0.11 5.08 -7.23 -1.26 -0.39 120.40 115.37 1jcj s VAL 73 Ca 0.33 -1.10 -0.01 0.00 -1.81 0.00 0.00 61.98 59.40 1jcj s VAL 73 Cb -0.00 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 1jcj s VAL 73 CO 0.24 0.28 0.02 0.42 -0.31 0.00 0.00 175.10 175.74 1jcj s THR 74 N -0.70 0.20 -1.41 5.32 -4.23 -0.40 -4.70 115.64 109.72 1jcj s THR 74 Ca 0.07 -1.89 -0.06 0.00 -1.18 0.00 0.00 61.69 58.64 1jcj s THR 74 Cb -0.08 -1.87 0.03 0.00 1.34 0.00 0.00 72.50 71.92 1jcj s THR 74 CO 0.01 -0.65 0.47 -3.20 -0.54 0.00 0.00 174.62 170.71 1jcj n ASN 75 N -0.04 -4.96 -4.33 3.99 5.15 -1.26 -1.87 115.26 111.94 1jcj n ASN 75 Ca -0.08 -0.26 -0.30 0.00 -0.60 0.00 0.00 54.58 53.33 1jcj n ASN 75 Cb 0.63 -4.06 -0.15 0.00 -0.53 0.00 0.00 39.78 35.67 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 -3.02 2.31 -2.10 1.20 2.19 -1.26 -1.48 117.98 115.82 1jcj s PHE 76 Ca 0.30 -0.42 0.28 0.00 0.33 0.00 0.00 56.93 57.41 1jcj s PHE 76 Cb -0.14 -1.42 1.00 0.00 -1.31 0.00 0.00 43.02 41.15 1jcj s PHE 76 CO 0.36 0.07 1.71 -0.35 1.83 0.00 0.00 175.22 178.85 1jcj n PRO 77 N 2.00 1.21 0.22 10.12 -0.04 -1.26 -4.93 135.00 142.33 1jcj n PRO 77 Ca -0.17 -0.66 0.13 0.00 -0.04 0.00 0.00 63.50 62.77 1jcj n PRO 77 Cb 0.52 -1.49 0.33 0.00 -0.04 0.00 0.00 33.50 32.82 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 1.61 0.00 -5.83 0.54 2.07 -1.96 -3.48 115.15 108.11 1jcj h HIS 78 Ca 0.00 0.00 -0.37 0.00 -2.85 0.00 0.00 60.37 57.15 1jcj h HIS 78 Cb 0.46 0.00 0.13 0.00 2.57 0.00 0.00 27.41 30.57 1jcj h HIS 78 CO 0.00 0.00 -0.76 0.41 -3.07 0.00 0.00 177.93 174.51 1jcj n GLY 79 N 0.82 -0.41 3.72 6.13 0.00 -0.55 -4.89 105.19 110.01 1jcj n GLY 79 Ca 0.03 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.00 3.60 -0.33 1.61 0.01 -1.26 -4.08 114.94 110.49 1jcj s ASN 80 Ca 0.21 1.70 0.09 0.00 -0.71 0.00 0.00 52.86 54.15 1jcj s ASN 80 Cb -0.10 -2.35 0.68 0.00 0.41 0.00 0.00 41.25 39.90 1jcj s ASN 80 CO 0.75 -2.59 1.75 -0.90 -1.51 0.00 0.00 177.10 174.60 1jcj n ASP 81 N -3.87 4.24 -4.43 -1.22 5.75 -1.26 -4.56 116.55 111.21 1jcj n ASP 81 Ca 0.08 -3.35 -0.44 0.00 -0.01 0.00 0.00 54.79 51.07 1jcj n ASP 81 Cb 0.54 -0.73 -0.05 0.00 -1.03 0.00 0.00 41.12 39.85 1jcj n ASP 81 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1jcj s ASP 82 N -1.38 6.20 0.25 -1.12 -1.08 -1.26 -4.92 116.67 113.37 1jcj s ASP 82 Ca 0.53 -1.09 -0.04 0.00 -0.52 0.00 0.00 52.55 51.43 1jcj s ASP 82 Cb 0.43 -2.35 0.30 0.00 -1.46 0.00 0.00 42.92 39.85 1jcj s ASP 82 CO 0.11 -1.19 1.82 0.40 0.52 0.00 0.00 175.17 176.82 1jcj h ILE 83 N 5.94 1.24 -0.89 4.11 2.04 -1.96 -2.10 117.51 125.89 1jcj h ILE 83 Ca -0.29 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 1jcj h ILE 83 Cb 1.08 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 1jcj h ILE 83 CO 1.10 0.31 0.53 0.44 0.00 0.00 0.00 178.15 180.53 1jcj h ASP 84 N 0.98 1.08 -0.19 1.72 3.32 -1.99 0.99 116.42 122.33 1jcj h ASP 84 Ca 0.22 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 1jcj h ASP 84 Cb 0.23 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1jcj h ASP 84 CO -0.02 0.83 -0.15 0.40 -1.72 0.00 0.00 179.24 178.59 1jcj h ILE 85 N 1.23 1.32 -0.78 0.35 2.04 -1.93 -1.38 117.51 118.36 1jcj h ILE 85 Ca 0.32 -1.27 0.01 0.00 1.00 0.00 0.00 64.86 64.92 1jcj h ILE 85 Cb -0.04 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1jcj h ILE 85 CO -0.06 0.38 0.52 0.00 0.00 0.00 0.00 178.15 178.99 1jcj h ALA 86 N 0.66 1.00 -0.41 1.87 0.00 -1.06 -1.12 119.26 120.19 1jcj h ALA 86 Ca 0.04 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1jcj h ALA 86 Cb 0.67 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1jcj h ALA 86 CO 0.04 0.39 0.01 1.25 0.00 0.00 0.00 179.25 180.93 1jcj h LEU 87 N 1.04 0.70 -0.89 0.00 5.85 -0.77 -1.20 115.31 120.05 1jcj h LEU 87 Ca 0.29 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1jcj h LEU 87 Cb -0.09 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 1jcj h LEU 87 CO -0.07 0.83 0.50 0.00 -0.34 0.00 0.00 178.44 179.36 1jcj h ALA 88 N 0.90 1.14 -0.73 1.25 0.00 -0.88 0.13 119.26 121.07 1jcj h ALA 88 Ca 0.12 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1jcj h ALA 88 Cb 0.46 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1jcj h ALA 88 CO 0.02 0.63 0.22 0.93 0.00 0.00 0.00 179.25 181.04 1jcj h GLU 89 N 1.24 1.13 -0.46 0.00 5.08 -1.04 -0.53 114.58 119.99 1jcj h GLU 89 Ca 0.31 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1jcj h GLU 89 Cb 0.01 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1jcj h GLU 89 CO -0.05 0.97 0.11 1.15 -1.00 0.00 0.00 179.01 180.19 1jcj h THR 90 N 1.08 1.24 -0.60 1.13 2.02 -0.72 -0.30 112.91 116.76 1jcj h THR 90 Ca 0.23 -0.83 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 1jcj h THR 90 Cb 0.32 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1jcj h THR 90 CO -0.01 0.30 0.20 0.03 0.37 0.00 0.00 175.52 176.41 1jcj h ARG 91 N 0.62 0.89 -0.46 6.66 3.08 -0.49 -1.10 114.38 123.60 1jcj h ARG 91 Ca 0.15 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1jcj h ARG 91 Cb 0.33 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1jcj h ARG 91 CO 0.00 0.76 0.08 0.00 -1.07 0.00 0.00 179.97 179.74 1jcj h ALA 92 N 1.35 0.61 -0.68 0.04 0.00 -0.84 -0.97 119.26 118.77 1jcj h ALA 92 Ca 0.20 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1jcj h ALA 92 Cb 0.23 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1jcj h ALA 92 CO -0.01 0.33 0.41 0.00 0.00 0.00 0.00 179.25 179.97 1jcj h ALA 93 N 0.96 0.91 -0.34 0.00 0.00 -0.59 0.69 119.26 120.89 1jcj h ALA 93 Ca 0.14 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1jcj h ALA 93 Cb 0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1jcj h ALA 93 CO 0.01 0.13 0.21 0.82 0.00 0.00 0.00 179.25 180.41 1jcj h ILE 94 N 0.77 1.05 -0.34 0.00 2.04 -1.02 -1.62 117.51 118.39 1jcj h ILE 94 Ca 0.29 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.95 1jcj h ILE 94 Cb 0.11 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1jcj h ILE 94 CO -0.15 0.08 -0.03 0.00 0.00 0.00 0.00 178.15 178.05 1jcj h ALA 95 N 1.14 1.32 0.00 1.87 0.00 -0.34 -1.71 119.26 121.54 1jcj h ALA 95 Ca 0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1jcj h ALA 95 Cb -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1jcj h ALA 95 CO -0.05 0.46 -0.14 1.88 0.00 0.00 0.00 179.25 181.41 1jcj h TYR 96 N 0.52 0.00 0.00 0.00 0.05 -0.72 -3.46 116.97 113.36 1jcj h TYR 96 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 1jcj h TYR 96 Cb 0.38 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.12 1jcj h TYR 96 CO 0.01 0.14 0.00 0.41 -1.05 0.00 0.00 178.16 177.67 1jcj n GLY 97 N -0.92 1.85 3.70 3.88 0.00 -0.64 -4.28 105.19 108.78 1jcj n GLY 97 Ca -0.02 0.00 -0.39 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 -0.15 1.18 0.02 4.61 0.00 -0.63 -4.92 120.51 120.62 1jcj n ALA 98 Ca 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.52 1jcj n ALA 98 Cb 0.00 -2.27 -0.13 0.00 0.00 0.00 0.00 19.45 17.05 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 1.51 0.02 -4.52 0.00 3.32 -1.18 -3.45 116.42 112.12 1jcj h ASP 99 Ca -0.49 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 56.38 1jcj h ASP 99 Cb 1.31 -0.01 -0.23 0.00 0.22 0.00 0.00 39.33 40.63 1jcj h ASP 99 CO 0.57 1.02 -0.48 -1.61 -1.72 0.00 0.00 179.24 177.02 1jcj s GLU 100 N -2.65 0.39 -0.09 3.56 2.02 -0.99 -2.22 118.70 118.72 1jcj s GLU 100 Ca -0.02 -0.13 0.02 0.00 0.02 0.00 0.00 54.97 54.86 1jcj s GLU 100 Cb 0.09 0.17 0.01 0.00 0.10 0.00 0.00 34.13 34.50 1jcj s GLU 100 CO 0.82 -0.08 -0.14 0.08 0.02 0.00 0.00 175.26 175.95 1jcj s VAL 101 N -0.80 1.39 -0.47 2.63 1.01 -0.24 -1.82 120.40 122.09 1jcj s VAL 101 Ca -0.09 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 1jcj s VAL 101 Cb -0.05 -1.26 0.10 0.00 0.00 0.00 0.00 36.38 35.17 1jcj s VAL 101 CO 0.01 0.42 0.36 -1.81 0.00 0.00 0.00 175.10 174.07 1jcj s ASP 102 N 0.86 5.84 -0.08 3.32 1.11 0.48 -0.36 116.67 127.84 1jcj s ASP 102 Ca -0.10 -1.67 -0.11 0.00 0.18 0.00 0.00 52.55 50.85 1jcj s ASP 102 Cb -0.15 -2.07 -0.05 0.00 1.07 0.00 0.00 42.92 41.72 1jcj s ASP 102 CO 0.01 -0.67 0.26 0.54 1.18 0.00 0.00 175.17 176.49 1jcj s VAL 103 N 1.47 5.30 -0.18 -1.27 0.11 -0.08 -1.27 120.40 124.49 1jcj s VAL 103 Ca 0.04 0.49 -0.27 0.00 -2.93 0.00 0.00 61.98 59.31 1jcj s VAL 103 Cb -0.26 -3.55 -0.01 0.00 -1.53 0.00 0.00 36.38 31.04 1jcj s VAL 103 CO 0.02 0.57 0.91 -0.69 -3.33 0.00 0.00 175.10 172.58 1jcj s VAL 104 N -0.81 4.82 0.54 2.04 1.01 -0.78 -0.50 120.40 126.72 1jcj s VAL 104 Ca 0.18 1.79 -0.22 0.00 0.00 0.00 0.00 61.98 63.73 1jcj s VAL 104 Cb -0.14 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 1jcj s VAL 104 CO 0.07 -0.03 1.32 0.12 0.00 0.00 0.00 175.10 176.58 1jcj s PHE 105 N 2.40 2.38 -1.28 5.22 5.36 0.21 -4.61 117.98 127.65 1jcj s PHE 105 Ca 0.41 1.41 -0.18 0.00 -0.96 0.00 0.00 56.93 57.61 1jcj s PHE 105 Cb -0.16 -3.71 0.01 0.00 -0.34 0.00 0.00 43.02 38.82 1jcj s PHE 105 CO 0.12 -2.64 1.96 -0.35 -1.46 0.00 0.00 175.22 172.85 1jcj n PRO 106 N -0.98 2.69 0.03 10.12 -0.04 -1.26 -4.58 135.00 140.98 1jcj n PRO 106 Ca 0.10 -2.78 -0.07 0.00 -0.04 0.00 0.00 63.50 60.71 1jcj n PRO 106 Cb 0.46 -3.39 0.10 0.00 -0.04 0.00 0.00 33.50 30.63 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 7.31 0.54 -0.27 0.54 -0.00 -1.86 -2.45 116.97 120.78 1jcj h TYR 107 Ca 0.46 -0.19 -0.07 0.00 0.00 0.00 0.00 58.73 58.93 1jcj h TYR 107 Cb 0.77 -0.10 -0.02 0.00 0.00 0.00 0.00 36.73 37.38 1jcj h TYR 107 CO 1.39 0.87 -0.14 0.00 -0.00 0.00 0.00 178.16 180.29 1jcj h ARG 108 N 0.34 0.47 -0.56 0.10 3.08 -1.85 -0.74 114.38 115.21 1jcj h ARG 108 Ca 0.01 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 1jcj h ARG 108 Cb 1.04 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 1jcj h ARG 108 CO 0.09 0.60 -0.01 0.00 -1.07 0.00 0.00 179.97 179.58 1jcj h ALA 109 N 1.42 0.91 -0.56 0.04 0.00 -1.78 -1.51 119.26 117.79 1jcj h ALA 109 Ca 0.08 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1jcj h ALA 109 Cb 0.50 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1jcj h ALA 109 CO 0.03 0.65 0.06 1.25 0.00 0.00 0.00 179.25 181.23 1jcj h LEU 110 N 0.90 0.92 -2.26 0.00 5.85 -0.98 0.06 115.31 119.80 1jcj h LEU 110 Ca 0.16 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1jcj h LEU 110 Cb 0.54 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1jcj h LEU 110 CO 0.03 0.97 -0.01 0.24 -0.34 0.00 0.00 178.44 179.33 1jcj h MET 111 N 0.84 0.00 -0.48 1.25 2.86 -0.81 0.06 114.93 118.65 1jcj h MET 111 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1jcj h MET 111 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1jcj h MET 111 CO 0.02 0.01 0.00 0.00 1.06 0.00 0.00 176.91 178.00 1jcj n ALA 112 N -2.40 2.56 -0.46 6.32 0.00 -0.60 -4.92 120.51 121.01 1jcj n ALA 112 Ca -0.03 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1jcj n ALA 112 Cb 0.10 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 1.07 0.76 3.31 0.00 0.00 0.01 -5.03 105.19 105.31 1jcj n GLY 113 Ca 0.15 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.20 6.24 0.30 1.61 3.84 -0.05 -4.87 114.94 119.80 1jcj s ASN 114 Ca 0.00 -1.91 0.19 0.00 0.21 0.00 0.00 52.86 51.35 1jcj s ASN 114 Cb 0.00 -2.20 0.12 0.00 -0.55 0.00 0.00 41.25 38.62 1jcj s ASN 114 CO 0.00 -0.82 1.37 -0.33 -2.79 0.00 0.00 177.10 174.53 1jcj h GLU 115 N 8.73 0.00 -0.18 0.43 5.08 -1.87 -3.21 114.58 123.56 1jcj h GLU 115 Ca -0.24 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.96 1jcj h GLU 115 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1jcj h GLU 115 CO 1.00 0.24 -0.48 0.37 -1.00 0.00 0.00 179.01 179.13 1jcj h GLN 116 N 0.00 0.65 -0.36 2.33 5.75 -1.97 -3.03 115.11 118.48 1jcj h GLN 116 Ca -0.02 -0.45 -0.05 0.00 -0.15 0.00 0.00 58.65 57.97 1jcj h GLN 116 Cb 1.23 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.83 1jcj h GLN 116 CO 0.03 1.07 0.01 -0.24 -2.65 0.00 0.00 178.83 177.05 1jcj h VAL 117 N 0.32 1.20 -0.39 2.39 3.04 -1.98 0.08 116.25 120.91 1jcj h VAL 117 Ca -0.01 -0.79 -0.13 0.00 -1.01 0.00 0.00 66.70 64.76 1jcj h VAL 117 Cb 1.10 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 31.29 1jcj h VAL 117 CO 0.10 0.27 -0.27 1.23 -1.01 0.00 0.00 177.57 177.89 1jcj h GLY 118 N 0.85 0.90 0.89 3.17 0.00 -1.77 0.69 103.07 107.79 1jcj h GLY 118 Ca 0.11 -0.82 0.01 0.00 0.00 0.00 0.00 47.33 46.63 1jcj h GLY 118 CO 0.01 0.74 -0.03 -2.75 0.00 0.00 0.00 176.54 174.52 1jcj h PHE 119 N 0.71 -0.06 -0.51 5.60 3.57 -1.26 -1.65 116.94 123.34 1jcj h PHE 119 Ca 0.09 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 1jcj h PHE 119 Cb 0.82 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 1jcj h PHE 119 CO 0.05 -0.04 0.01 -0.44 -2.23 0.00 0.00 178.31 175.65 1jcj h ASP 120 N -0.03 0.82 0.02 0.41 3.32 -0.78 0.20 116.42 120.37 1jcj h ASP 120 Ca 0.02 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 1jcj h ASP 120 Cb 0.07 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1jcj h ASP 120 CO -0.05 0.88 -0.01 0.25 -1.72 0.00 0.00 179.24 178.58 1jcj h LEU 121 N 0.79 -0.02 -0.64 1.55 6.46 -0.76 -1.26 115.31 121.43 1jcj h LEU 121 Ca 0.15 -0.37 -0.02 0.00 -0.12 0.00 0.00 57.88 57.52 1jcj h LEU 121 Cb 0.46 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.37 1jcj h LEU 121 CO 0.02 0.36 0.30 0.58 -0.62 0.00 0.00 178.44 179.08 1jcj h VAL 122 N -0.41 1.22 -0.63 1.05 2.07 -1.20 -2.05 116.25 116.31 1jcj h VAL 122 Ca -0.00 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1jcj h VAL 122 Cb 0.39 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1jcj h VAL 122 CO 0.00 0.26 0.29 0.50 0.02 0.00 0.00 177.57 178.65 1jcj h LYS 123 N 0.88 0.91 -0.47 1.57 3.64 -0.87 0.45 116.57 122.68 1jcj h LYS 123 Ca 0.22 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1jcj h LYS 123 Cb 0.13 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1jcj h LYS 123 CO -0.03 0.74 0.23 0.00 -2.27 0.00 0.00 179.45 178.12 1jcj h ALA 124 N 1.13 0.60 -0.41 5.00 0.00 -1.04 -1.01 119.26 123.53 1jcj h ALA 124 Ca 0.21 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1jcj h ALA 124 Cb 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1jcj h ALA 124 CO -0.03 0.15 -0.19 0.00 0.00 0.00 0.00 179.25 179.19 1jcj h LYS 126 N 0.70 1.07 -0.67 0.00 1.63 -0.64 -1.13 116.57 117.53 1jcj h LYS 126 Ca 0.10 -0.27 -0.01 0.00 -0.85 0.00 0.00 60.65 59.62 1jcj h LYS 126 Cb 0.69 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.16 1jcj h LYS 126 CO 0.05 0.97 0.36 0.93 -3.45 0.00 0.00 179.45 178.31 1jcj h GLU 127 N 0.99 0.93 -0.40 1.90 5.08 -1.02 0.29 114.58 122.36 1jcj h GLU 127 Ca 0.20 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1jcj h GLU 127 Cb 0.39 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1jcj h GLU 127 CO 0.01 0.71 0.05 0.00 -1.00 0.00 0.00 179.01 178.77 1jcj h ALA 128 N 1.17 0.53 -0.16 3.43 0.00 -1.21 -2.56 119.26 120.47 1jcj h ALA 128 Ca 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1jcj h ALA 128 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1jcj h ALA 128 CO -0.04 0.26 0.05 0.00 0.00 0.00 0.00 179.25 179.53 1jcj h ALA 130 N 0.88 1.27 0.00 0.00 0.00 -0.42 -0.59 119.26 120.40 1jcj h ALA 130 Ca 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1jcj h ALA 130 Cb 0.21 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1jcj h ALA 130 CO -0.00 0.58 -0.05 0.00 0.00 0.00 0.00 179.25 179.78 1jcj h ALA 131 N 1.37 1.39 -0.53 0.00 0.00 -1.30 -2.25 119.26 117.95 1jcj h ALA 131 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1jcj h ALA 131 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1jcj h ALA 131 CO -0.04 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1jcj n ALA 132 N -2.29 2.35 -3.73 0.00 0.00 -0.50 -4.97 120.51 111.37 1jcj n ALA 132 Ca -0.02 -1.16 -0.26 0.00 0.00 0.00 0.00 53.44 52.00 1jcj n ALA 132 Cb 0.15 -0.77 0.05 0.00 0.00 0.00 0.00 19.45 18.87 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 1.31 -4.71 -4.42 0.00 3.02 -0.78 -5.00 115.26 104.68 1jcj n ASN 133 Ca 0.19 -0.68 -0.33 0.00 -0.03 0.00 0.00 54.58 53.73 1jcj n ASN 133 Cb 0.56 -4.43 -0.14 0.00 -0.61 0.00 0.00 39.78 35.16 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 -3.36 3.15 0.28 2.41 1.01 -0.35 -4.98 120.40 118.56 1jcj s VAL 134 Ca 0.50 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 61.59 1jcj s VAL 134 Cb -0.24 -2.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.75 1jcj s VAL 134 CO 0.78 0.55 0.86 -0.76 0.00 0.00 0.00 175.10 176.53 1jcj s LEU 135 N -0.05 4.35 -0.22 3.92 1.43 -0.94 -3.91 118.68 123.26 1jcj s LEU 135 Ca -0.02 1.68 -0.04 0.00 -1.03 0.00 0.00 54.13 54.71 1jcj s LEU 135 Cb -0.14 -3.83 -0.01 0.00 0.03 0.00 0.00 46.19 42.24 1jcj s LEU 135 CO 0.04 -0.02 -0.02 -0.22 0.23 0.00 0.00 176.35 176.35 1jcj s LEU 136 N -1.99 3.00 -0.07 1.79 2.96 -1.26 -1.08 118.68 122.04 1jcj s LEU 136 Ca 0.47 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 54.00 1jcj s LEU 136 Cb -0.18 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 1jcj s LEU 136 CO 0.23 -0.01 0.11 -0.54 -1.32 0.00 0.00 176.35 174.82 1jcj s LYS 137 N 1.43 3.26 -0.20 1.98 1.02 0.51 -0.87 119.74 126.87 1jcj s LYS 137 Ca 0.05 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 55.74 1jcj s LYS 137 Cb -0.14 -3.02 0.02 0.00 -0.52 0.00 0.00 37.83 34.17 1jcj s LYS 137 CO -0.02 0.72 -0.16 0.08 -0.92 0.00 0.00 175.35 175.05 1jcj s VAL 138 N -1.09 2.29 -0.27 3.17 1.01 -0.41 -0.90 120.40 124.19 1jcj s VAL 138 Ca 0.19 -0.99 -0.23 0.00 0.00 0.00 0.00 61.98 60.95 1jcj s VAL 138 Cb -0.12 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 1jcj s VAL 138 CO 0.09 0.43 0.77 -0.63 0.00 0.00 0.00 175.10 175.76 1jcj s ILE 139 N 1.29 4.85 -0.63 2.22 1.01 0.35 -0.60 121.20 129.68 1jcj s ILE 139 Ca 0.03 1.32 0.22 0.00 0.00 0.00 0.00 60.65 62.22 1jcj s ILE 139 Cb -0.14 -4.09 -0.18 0.00 0.01 0.00 0.00 42.46 38.06 1jcj s ILE 139 CO -0.10 -0.13 0.91 2.30 0.00 0.00 0.00 174.94 177.93 1jcj n ILE 140 N 5.36 0.09 -2.87 2.92 -5.35 -0.80 -0.62 119.36 118.10 1jcj n ILE 140 Ca 0.04 -0.21 -0.08 0.00 -0.27 0.00 0.00 62.75 62.22 1jcj n ILE 140 Cb 0.48 0.39 0.04 0.00 -1.74 0.00 0.00 39.64 38.80 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 -1.87 -1.57 -0.03 6.28 4.07 -0.28 -4.76 120.64 122.48 1jcj n GLU 141 Ca 0.02 0.91 0.15 0.00 -0.06 0.00 0.00 57.16 58.17 1jcj n GLU 141 Cb 0.43 -5.00 0.58 0.00 -0.06 0.00 0.00 31.44 27.39 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 -0.46 0.84 0.00 6.31 1.35 -1.46 -1.16 112.91 118.33 1jcj h THR 142 Ca -0.33 -0.08 -0.03 0.00 -0.55 0.00 0.00 66.41 65.43 1jcj h THR 142 Cb 1.17 0.59 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1jcj h THR 142 CO 0.32 0.04 -0.13 1.23 -0.25 0.00 0.00 175.52 176.73 1jcj h GLY 143 N 0.23 0.00 0.52 5.82 0.00 -1.80 -0.44 103.07 107.39 1jcj h GLY 143 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.22 1jcj h GLY 143 CO -0.05 0.00 -2.07 1.18 0.00 0.00 0.00 176.54 175.61 1jcj n GLU 144 N -3.31 0.72 -0.08 4.80 -0.58 -0.53 -4.36 120.64 117.29 1jcj n GLU 144 Ca -0.00 0.23 -0.10 0.00 -0.42 0.00 0.00 57.16 56.87 1jcj n GLU 144 Cb 0.35 -1.68 -0.03 0.00 -0.57 0.00 0.00 31.44 29.52 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 0.37 0.00 -4.62 3.38 -1.21 -3.46 115.31 109.82 1jcj h LEU 145 Ca -0.44 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1jcj h LEU 145 Cb 2.02 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1jcj h LEU 145 CO 0.05 0.41 0.00 0.29 0.09 0.00 0.00 178.44 179.28 1jcj n LYS 146 N -4.78 0.00 -2.66 1.13 5.02 -0.19 -4.87 118.16 111.82 1jcj n LYS 146 Ca -0.02 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.86 1jcj n LYS 146 Cb 0.12 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.07 1jcj n LYS 146 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1jcj s ASP 147 N 0.00 7.51 0.23 4.39 2.15 -1.26 -4.93 116.67 124.77 1jcj s ASP 147 Ca 0.00 2.04 -0.06 0.00 0.43 0.00 0.00 52.55 54.96 1jcj s ASP 147 Cb 0.00 -2.61 0.33 0.00 -0.30 0.00 0.00 42.92 40.34 1jcj s ASP 147 CO 0.00 0.04 1.80 -0.08 -0.17 0.00 0.00 175.17 176.76 1jcj h GLU 148 N 4.17 0.69 -0.60 4.34 4.81 -1.98 -1.16 114.58 124.84 1jcj h GLU 148 Ca -0.45 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 1jcj h GLU 148 Cb 1.20 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 1jcj h GLU 148 CO 0.68 0.46 0.16 0.00 -0.73 0.00 0.00 179.01 179.58 1jcj h ALA 149 N 1.42 1.16 -0.35 2.92 0.00 -1.97 -0.76 119.26 121.67 1jcj h ALA 149 Ca 0.36 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1jcj h ALA 149 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1jcj h ALA 149 CO -0.23 0.58 -0.33 -0.07 0.00 0.00 0.00 179.25 179.20 1jcj h LEU 150 N 0.89 0.82 -0.37 0.00 3.38 -1.73 -0.45 115.31 117.86 1jcj h LEU 150 Ca 0.20 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1jcj h LEU 150 Cb 0.29 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1jcj h LEU 150 CO -0.00 1.08 0.23 0.40 0.09 0.00 0.00 178.44 180.23 1jcj h ILE 151 N 0.66 1.07 -0.60 1.22 2.04 -0.85 -0.22 117.51 120.83 1jcj h ILE 151 Ca 0.07 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1jcj h ILE 151 Cb 0.87 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1jcj h ILE 151 CO 0.08 0.09 0.23 0.03 0.00 0.00 0.00 178.15 178.57 1jcj h ARG 152 N 0.47 0.90 -0.28 2.37 3.08 -1.02 -2.00 114.38 117.90 1jcj h ARG 152 Ca 0.14 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1jcj h ARG 152 Cb -0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1jcj h ARG 152 CO -0.05 0.78 0.05 -0.22 -1.07 0.00 0.00 179.97 179.46 1jcj h LYS 153 N 0.83 0.46 -0.84 0.04 1.63 -0.83 0.38 116.57 118.25 1jcj h LYS 153 Ca 0.20 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 1jcj h LYS 153 Cb 0.22 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.75 1jcj h LYS 153 CO -0.01 0.57 0.44 0.00 -3.45 0.00 0.00 179.45 176.99 1jcj h ALA 154 N 0.88 1.20 -0.27 5.00 0.00 -1.00 -0.51 119.26 124.55 1jcj h ALA 154 Ca 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1jcj h ALA 154 Cb 0.32 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1jcj h ALA 154 CO 0.00 0.63 0.15 0.77 0.00 0.00 0.00 179.25 180.81 1jcj h SER 155 N 1.18 0.34 -0.30 0.00 0.02 -1.10 -1.62 113.55 112.06 1jcj h SER 155 Ca 0.29 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1jcj h SER 155 Cb 0.05 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1jcj h SER 155 CO -0.04 0.32 0.16 -0.08 -1.14 0.00 0.00 176.83 176.05 1jcj h GLU 156 N 0.33 0.42 -0.49 3.45 4.81 -0.51 -0.97 114.58 121.61 1jcj h GLU 156 Ca 0.10 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1jcj h GLU 156 Cb 0.06 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1jcj h GLU 156 CO -0.02 0.36 0.25 0.82 -0.73 0.00 0.00 179.01 179.70 1jcj h ILE 157 N 0.36 1.18 -0.54 2.32 2.04 -1.08 -0.58 117.51 121.22 1jcj h ILE 157 Ca 0.10 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 1jcj h ILE 157 Cb 0.07 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1jcj h ILE 157 CO -0.02 0.20 0.34 0.28 0.00 0.00 0.00 178.15 178.95 1jcj h SER 158 N 0.66 0.64 -0.29 1.72 0.02 -1.06 -0.51 113.55 114.73 1jcj h SER 158 Ca 0.17 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1jcj h SER 158 Cb 0.09 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1jcj h SER 158 CO -0.02 0.50 0.15 0.40 -1.14 0.00 0.00 176.83 176.71 1jcj h ILE 159 N 0.73 1.14 -0.28 3.27 2.04 -0.87 -0.58 117.51 122.97 1jcj h ILE 159 Ca 0.20 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1jcj h ILE 159 Cb -0.04 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1jcj h ILE 159 CO -0.04 0.15 0.04 0.11 0.00 0.00 0.00 178.15 178.41 1jcj h LYS 160 N 0.35 0.41 -0.00 2.37 1.57 -0.73 -2.00 116.57 118.53 1jcj h LYS 160 Ca 0.10 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1jcj h LYS 160 Cb 0.10 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1jcj h LYS 160 CO -0.01 0.41 -0.00 0.00 -0.57 0.00 0.00 179.45 179.27 1jcj n ALA 161 N -2.48 2.47 0.00 3.86 0.00 -0.23 -4.92 120.51 119.21 1jcj n ALA 161 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1jcj n ALA 161 Cb 0.19 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 1.31 1.36 3.66 0.00 0.00 -0.75 -3.82 105.19 106.95 1jcj n GLY 162 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.00 0.86 0.12 4.61 0.00 -0.27 -4.89 120.51 119.95 1jcj n ALA 163 Ca 0.00 0.42 0.09 0.00 0.00 0.00 0.00 53.44 53.94 1jcj n ALA 163 Cb 0.00 -2.24 0.03 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 3.99 0.00 -5.02 0.00 3.32 -1.27 -3.44 116.42 114.00 1jcj h ASP 164 Ca -0.45 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.47 1jcj h ASP 164 Cb 1.29 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.64 1jcj h ASP 164 CO 0.74 0.15 -0.43 -0.36 -1.72 0.00 0.00 179.24 177.62 1jcj s PHE 165 N -3.21 0.02 -0.07 4.55 0.40 -1.05 -1.16 117.98 117.46 1jcj s PHE 165 Ca 0.01 -0.14 0.04 0.00 -0.60 0.00 0.00 56.93 56.24 1jcj s PHE 165 Cb 0.08 -0.03 -0.02 0.00 0.51 0.00 0.00 43.02 43.57 1jcj s PHE 165 CO 0.76 -0.35 -0.19 0.96 0.70 0.00 0.00 175.22 177.10 1jcj s ILE 166 N -1.80 2.57 -0.04 0.64 -4.36 -0.28 -1.29 121.20 116.63 1jcj s ILE 166 Ca -0.11 -0.88 0.06 0.00 -0.26 0.00 0.00 60.65 59.47 1jcj s ILE 166 Cb -0.05 -1.99 -0.01 0.00 1.25 0.00 0.00 42.46 41.65 1jcj s ILE 166 CO 0.00 0.56 -0.24 -0.75 0.24 0.00 0.00 174.94 174.76 1jcj s LYS 167 N -0.17 2.26 0.14 0.37 2.20 0.23 -1.58 119.74 123.18 1jcj s LYS 167 Ca -0.02 -0.85 -0.13 0.00 -0.36 0.00 0.00 55.97 54.61 1jcj s LYS 167 Cb -0.14 -1.99 0.00 0.00 -1.51 0.00 0.00 37.83 34.20 1jcj s LYS 167 CO 0.04 0.41 1.60 1.79 -0.36 0.00 0.00 175.35 178.82 1jcj h THR 168 N 4.93 1.26 -3.17 3.43 1.35 -1.58 -2.12 112.91 117.00 1jcj h THR 168 Ca -0.35 -1.01 -0.02 0.00 -0.55 0.00 0.00 66.41 64.47 1jcj h THR 168 Cb 1.16 1.02 -0.11 0.00 -1.73 0.00 0.00 68.15 68.48 1jcj h THR 168 CO 0.47 0.35 0.10 -0.44 -0.25 0.00 0.00 175.52 175.75 1jcj s SER 169 N -6.26 -0.40 0.34 5.36 0.01 -1.26 -1.13 113.70 110.37 1jcj s SER 169 Ca -0.13 -0.22 0.22 0.00 1.31 0.00 0.00 55.95 57.14 1jcj s SER 169 Cb 0.11 0.57 0.20 0.00 0.21 0.00 0.00 66.02 67.10 1jcj s SER 169 CO 0.81 -0.97 1.39 0.71 0.41 0.00 0.00 173.24 175.58 1jcj h THR 170 N 2.14 0.07 0.00 1.44 1.35 -1.93 -3.44 112.91 112.55 1jcj h THR 170 Ca -0.32 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 1jcj h THR 170 Cb 1.28 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1jcj h THR 170 CO 0.40 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 176.31 1jcj n GLY 171 N 1.14 0.80 0.10 5.82 0.00 -1.26 -4.89 105.19 106.90 1jcj n GLY 171 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.39 1.05 -4.70 1.61 4.76 -1.26 -4.89 118.16 112.34 1jcj n LYS 172 Ca 0.00 -1.09 -0.31 0.00 -2.87 0.00 0.00 58.31 54.04 1jcj n LYS 172 Cb 0.00 -1.04 -0.09 0.00 -1.84 0.00 0.00 35.03 32.06 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 -0.57 1.34 0.19 -0.18 -7.23 -1.26 -5.06 120.40 107.62 1jcj s VAL 173 Ca 0.03 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.15 1jcj s VAL 173 Cb 0.02 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.54 1jcj s VAL 173 CO 0.03 0.00 1.56 0.00 -0.31 0.00 0.00 175.10 176.38 1jcj h ALA 174 N 1.51 0.76 -3.29 1.32 0.00 -1.94 -3.42 119.26 114.21 1jcj h ALA 174 Ca -0.43 -0.42 -0.67 0.00 0.00 0.00 0.00 54.91 53.38 1jcj h ALA 174 Cb 1.29 -0.13 -0.32 0.00 0.00 0.00 0.00 17.79 18.63 1jcj h ALA 174 CO 0.75 0.65 -0.85 0.08 0.00 0.00 0.00 179.25 179.88 1jcj s VAL 175 N -4.41 2.25 0.00 0.00 1.01 -1.26 -5.09 120.40 112.90 1jcj s VAL 175 Ca -0.09 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1jcj s VAL 175 Cb 0.12 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1jcj s VAL 175 CO 0.85 0.55 0.00 0.59 0.00 0.00 0.00 175.10 177.09 1jcj n ASN 176 N 3.70 0.00 -4.78 3.32 3.02 -1.26 -3.73 115.26 115.54 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 39.70 1jcj n ASN 176 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jcj s ALA 177 N -2.00 3.49 0.06 5.41 0.00 -0.94 -4.55 121.76 123.23 1jcj s ALA 177 Ca 0.00 1.54 0.01 0.00 0.00 0.00 0.00 51.96 53.52 1jcj s ALA 177 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1jcj s ALA 177 CO 0.00 -1.08 -0.06 0.95 0.00 0.00 0.00 175.76 175.56 1jcj s THR 178 N -1.14 0.50 0.37 0.00 -4.23 -1.26 -4.95 115.64 104.93 1jcj s THR 178 Ca 0.55 -1.43 0.09 0.00 -1.18 0.00 0.00 61.69 59.72 1jcj s THR 178 Cb -0.46 -1.02 0.32 0.00 1.34 0.00 0.00 72.50 72.67 1jcj s THR 178 CO 0.61 -0.63 1.92 -0.65 -0.54 0.00 0.00 174.62 175.33 1jcj h PRO 179 N 3.86 0.64 -0.41 3.99 0.11 -1.98 -0.61 132.00 137.60 1jcj h PRO 179 Ca -0.35 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.67 1jcj h PRO 179 Cb 1.18 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1jcj h PRO 179 CO 0.52 0.43 0.07 1.49 -0.21 0.00 0.00 178.00 180.29 1jcj h GLU 180 N 0.66 0.69 -0.21 1.05 4.81 -1.99 -1.07 114.58 118.51 1jcj h GLU 180 Ca 0.37 -0.19 -0.14 0.00 -0.13 0.00 0.00 59.36 59.28 1jcj h GLU 180 Cb 0.54 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1jcj h GLU 180 CO -0.14 0.73 -0.44 0.66 -0.73 0.00 0.00 179.01 179.09 1jcj h SER 181 N 0.54 0.56 -0.47 1.04 4.64 -1.85 -1.68 113.55 116.33 1jcj h SER 181 Ca 0.13 -0.26 -0.02 0.00 -0.47 0.00 0.00 61.79 61.16 1jcj h SER 181 Cb 0.38 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 1jcj h SER 181 CO 0.01 0.92 0.20 0.00 -0.87 0.00 0.00 176.83 177.10 1jcj h ALA 182 N 1.10 0.61 -0.60 5.18 0.00 -0.99 -2.09 119.26 122.48 1jcj h ALA 182 Ca 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1jcj h ALA 182 Cb 0.94 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1jcj h ALA 182 CO 0.08 0.20 0.33 -0.09 0.00 0.00 0.00 179.25 179.77 1jcj h ARG 183 N 0.62 0.84 -0.25 0.00 2.43 -1.01 -0.62 114.38 116.39 1jcj h ARG 183 Ca 0.16 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 1jcj h ARG 183 Cb 0.16 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 1jcj h ARG 183 CO -0.02 0.65 0.02 0.82 -1.51 0.00 0.00 179.97 179.93 1jcj h ILE 184 N 0.82 0.84 -0.63 1.20 2.04 -1.06 0.08 117.51 120.81 1jcj h ILE 184 Ca 0.21 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.99 1jcj h ILE 184 Cb 0.05 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1jcj h ILE 184 CO -0.03 0.02 0.19 0.24 0.00 0.00 0.00 178.15 178.56 1jcj h MET 185 N 0.10 0.98 -0.16 2.37 2.86 -1.15 -1.78 114.93 118.15 1jcj h MET 185 Ca 0.12 -0.21 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 1jcj h MET 185 Cb 0.14 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1jcj h MET 185 CO -0.18 0.87 -0.34 0.52 1.06 0.00 0.00 176.91 178.83 1jcj h MET 186 N 0.90 0.32 -0.39 1.72 2.86 -0.91 -2.19 114.93 117.25 1jcj h MET 186 Ca 0.20 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1jcj h MET 186 Cb 0.30 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1jcj h MET 186 CO -0.00 0.63 0.09 0.93 1.06 0.00 0.00 176.91 179.61 1jcj h GLU 187 N 0.28 0.57 -0.22 1.72 5.08 -0.60 -1.21 114.58 120.20 1jcj h GLU 187 Ca 0.03 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1jcj h GLU 187 Cb 0.74 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1jcj h GLU 187 CO 0.06 0.53 0.04 0.28 -1.00 0.00 0.00 179.01 178.92 1jcj h VAL 188 N 0.56 1.22 -0.54 3.13 2.07 -0.73 0.20 116.25 122.16 1jcj h VAL 188 Ca 0.13 -0.74 0.09 0.00 0.82 0.00 0.00 66.70 67.00 1jcj h VAL 188 Cb 0.23 1.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 1jcj h VAL 188 CO -0.00 0.23 0.16 0.40 0.02 0.00 0.00 177.57 178.38 1jcj h ILE 189 N 0.18 0.76 -0.17 4.57 2.04 -1.07 -0.11 117.51 123.70 1jcj h ILE 189 Ca 0.07 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1jcj h ILE 189 Cb 0.31 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1jcj h ILE 189 CO 0.00 0.06 -0.00 -0.09 0.00 0.00 0.00 178.15 178.12 1jcj h ARG 190 N 0.32 0.31 -0.30 2.37 2.43 -1.02 -1.98 114.38 116.51 1jcj h ARG 190 Ca 0.27 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1jcj h ARG 190 Cb 0.34 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1jcj h ARG 190 CO -0.31 0.52 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.14 1jcj h ASP 191 N 0.06 0.47 0.83 -3.80 3.32 -0.26 -1.12 116.42 115.92 1jcj h ASP 191 Ca 0.05 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1jcj h ASP 191 Cb 0.38 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1jcj h ASP 191 CO 0.01 0.61 0.00 0.23 -1.72 0.00 0.00 179.24 178.37 1jcj n MET 192 N -4.22 0.16 -1.72 3.56 2.81 -0.09 -4.93 117.12 112.68 1jcj n MET 192 Ca 0.01 0.01 -0.06 0.00 -1.81 0.00 0.00 57.70 55.85 1jcj n MET 192 Cb 0.30 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.30 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 0.41 0.68 3.03 0.00 -0.42 -4.95 105.19 105.32 1jcj n GLY 193 Ca 0.10 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.53 2.13 0.30 1.61 0.24 -0.81 -4.69 118.33 113.57 1jcj n VAL 194 Ca -0.06 -1.93 0.19 0.00 -2.04 0.00 0.00 64.34 60.49 1jcj n VAL 194 Cb 0.40 -0.21 0.90 0.00 -1.47 0.00 0.00 33.84 33.46 1jcj n VAL 194 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1jcj h GLU 195 N 1.36 0.00 0.00 7.34 9.09 -1.82 -0.39 114.58 130.16 1jcj h GLU 195 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.34 1jcj h GLU 195 Cb 1.30 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.39 1jcj h GLU 195 CO 0.16 0.00 -0.34 0.87 0.05 0.00 0.00 179.01 179.75 1jcj h LYS 196 N 0.00 0.00 -0.00 1.06 1.57 -1.95 -3.37 116.57 113.88 1jcj h LYS 196 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jcj h LYS 196 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1jcj h LYS 196 CO 0.00 0.34 -0.15 0.25 -0.57 0.00 0.00 179.45 179.31 1jcj n THR 197 N -3.25 0.00 -4.07 -0.16 -2.24 -0.30 -4.98 114.28 99.28 1jcj n THR 197 Ca 0.02 -0.42 -0.26 0.00 -2.27 0.00 0.00 64.05 61.12 1jcj n THR 197 Cb 0.61 1.04 -0.17 0.00 -2.10 0.00 0.00 70.33 69.71 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 -1.13 1.00 0.60 2.28 1.01 -0.35 -4.66 120.40 119.16 1jcj s VAL 198 Ca 0.03 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1jcj s VAL 198 Cb 0.04 -1.00 0.07 0.00 0.00 0.00 0.00 36.38 35.50 1jcj s VAL 198 CO 0.16 0.35 0.84 -0.83 0.00 0.00 0.00 175.10 175.61 1jcj s GLY 199 N 1.43 1.80 0.02 4.51 0.00 -0.31 -4.60 107.32 110.17 1jcj s GLY 199 Ca -0.00 -1.65 0.05 0.00 0.00 0.00 0.00 44.72 43.12 1jcj s GLY 199 CO -0.05 -1.24 -0.14 -0.12 0.00 0.00 0.00 173.10 171.55 1jcj s PHE 200 N -2.84 1.26 -0.16 1.90 5.36 -0.29 -1.13 117.98 122.08 1jcj s PHE 200 Ca 0.61 -0.31 -0.03 0.00 -0.96 0.00 0.00 56.93 56.24 1jcj s PHE 200 Cb -0.08 -0.77 0.05 0.00 -0.34 0.00 0.00 43.02 41.89 1jcj s PHE 200 CO 0.40 0.02 0.03 -1.17 -1.46 0.00 0.00 175.22 173.04 1jcj s LEU 201 N -0.87 0.95 0.16 6.12 0.20 -0.62 -2.37 118.68 122.25 1jcj s LEU 201 Ca 0.03 -0.61 -0.30 0.00 0.69 0.00 0.00 54.13 53.94 1jcj s LEU 201 Cb -0.07 -0.53 -0.07 0.00 -0.43 0.00 0.00 46.19 45.09 1jcj s LEU 201 CO 0.01 -0.28 1.01 -2.16 -0.29 0.00 0.00 176.35 174.64 1jcj s PRO 202 N 1.91 4.69 -0.08 0.98 0.04 -1.25 -1.55 135.00 139.74 1jcj s PRO 202 Ca 0.01 1.56 -0.13 0.00 0.04 0.00 0.00 61.00 62.48 1jcj s PRO 202 Cb -0.16 -3.32 0.03 0.00 0.04 0.00 0.00 34.50 31.09 1jcj s PRO 202 CO -0.07 0.21 0.32 0.00 0.04 0.00 0.00 177.00 177.50 1jcj s ALA 203 N -0.31 -0.79 0.00 8.56 0.00 -1.26 -1.75 121.76 126.21 1jcj s ALA 203 Ca 0.47 0.65 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1jcj s ALA 203 Cb -0.26 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1jcj s ALA 203 CO 0.32 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.29 1jcj n GLY 204 N 2.18 -0.88 2.38 0.00 0.00 -1.22 -2.21 105.19 105.44 1jcj n GLY 204 Ca -0.17 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 1.65 0.54 3.53 -0.02 0.00 -1.26 -2.57 105.19 107.06 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 -2.28 4.46 0.00 1.61 1.01 -1.26 -4.83 120.40 119.11 1jcj s VAL 206 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1jcj s VAL 206 Cb 0.00 -4.47 0.00 0.00 0.00 0.00 0.00 36.38 31.91 1jcj s VAL 206 CO 0.00 -0.97 0.00 0.54 0.00 0.00 0.00 175.10 174.67 1jcj n ARG 207 N 7.23 1.53 -4.41 2.72 1.74 -1.26 -4.08 116.66 120.13 1jcj n ARG 207 Ca 0.03 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.88 1jcj n ARG 207 Cb 0.48 -0.93 -0.10 0.00 -1.02 0.00 0.00 32.46 30.88 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 -1.77 2.16 0.27 0.55 -4.23 -1.26 -4.40 115.64 106.96 1jcj s THR 208 Ca 0.00 -2.24 -0.01 0.00 -1.18 0.00 0.00 61.69 58.26 1jcj s THR 208 Cb 0.00 -2.14 0.27 0.00 1.34 0.00 0.00 72.50 71.96 1jcj s THR 208 CO 0.00 -0.41 1.84 0.00 -0.54 0.00 0.00 174.62 175.51 1jcj h ALA 209 N 2.59 1.42 -0.40 3.99 0.00 -1.87 -1.82 119.26 123.17 1jcj h ALA 209 Ca -0.40 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1jcj h ALA 209 Cb 1.24 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1jcj h ALA 209 CO 0.58 0.26 -0.04 0.93 0.00 0.00 0.00 179.25 180.98 1jcj h GLU 210 N 1.01 0.66 0.23 0.00 3.07 -1.95 -1.03 114.58 116.56 1jcj h GLU 210 Ca 0.46 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 59.13 1jcj h GLU 210 Cb 0.38 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1jcj h GLU 210 CO -0.24 0.71 -0.11 -0.44 -1.40 0.00 0.00 179.01 177.53 1jcj h ASP 211 N 0.62 -0.26 -0.91 1.42 3.32 -1.82 -2.68 116.42 116.10 1jcj h ASP 211 Ca 0.12 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1jcj h ASP 211 Cb 0.45 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 1jcj h ASP 211 CO 0.02 -0.14 0.60 0.00 -1.72 0.00 0.00 179.24 178.01 1jcj h ALA 212 N 0.39 1.17 -0.90 3.45 0.00 -0.98 -2.02 119.26 120.37 1jcj h ALA 212 Ca -0.03 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1jcj h ALA 212 Cb 0.28 -0.36 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 1jcj h ALA 212 CO 0.05 0.53 0.56 0.37 0.00 0.00 0.00 179.25 180.77 1jcj h GLN 213 N 1.22 0.96 -0.50 0.00 4.15 -1.02 -1.96 115.11 117.96 1jcj h GLN 213 Ca 0.34 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.66 1jcj h GLN 213 Cb -0.11 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.34 1jcj h GLN 213 CO -0.08 0.64 0.15 0.87 -1.93 0.00 0.00 178.83 178.48 1jcj h LYS 214 N 0.99 0.78 -0.45 1.69 1.57 -1.04 -1.11 116.57 119.01 1jcj h LYS 214 Ca 0.41 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.93 1jcj h LYS 214 Cb 0.24 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1jcj h LYS 214 CO -0.20 0.73 -0.05 1.88 -0.57 0.00 0.00 179.45 181.24 1jcj h TYR 215 N 0.68 0.92 -0.28 -1.35 0.05 -1.17 -2.60 116.97 113.21 1jcj h TYR 215 Ca 0.16 -0.18 -0.07 0.00 0.05 0.00 0.00 58.73 58.70 1jcj h TYR 215 Cb 0.28 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 1jcj h TYR 215 CO 0.02 0.90 -0.10 -0.07 -1.05 0.00 0.00 178.16 177.86 1jcj h LEU 216 N 0.67 0.45 -1.19 3.88 3.38 -1.26 -2.63 115.31 118.60 1jcj h LEU 216 Ca 0.12 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1jcj h LEU 216 Cb 0.58 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1jcj h LEU 216 CO 0.03 0.60 0.18 0.00 0.09 0.00 0.00 178.44 179.33 1jcj h ALA 217 N 1.46 1.36 -0.33 1.53 0.00 -0.99 0.15 119.26 122.44 1jcj h ALA 217 Ca 0.08 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1jcj h ALA 217 Cb 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1jcj h ALA 217 CO 0.03 0.47 0.02 0.82 0.00 0.00 0.00 179.25 180.58 1jcj h ILE 218 N 0.73 1.25 -0.51 0.00 2.04 -1.12 -1.19 117.51 118.71 1jcj h ILE 218 Ca 0.17 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.14 1jcj h ILE 218 Cb 0.19 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1jcj h ILE 218 CO -0.01 0.30 0.30 0.00 0.00 0.00 0.00 178.15 178.74 1jcj h ALA 219 N 0.86 0.65 -0.35 1.87 0.00 -1.15 -1.34 119.26 119.81 1jcj h ALA 219 Ca 0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1jcj h ALA 219 Cb 0.42 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1jcj h ALA 219 CO 0.01 0.01 -0.10 -0.44 0.00 0.00 0.00 179.25 178.73 1jcj h ASP 220 N 0.60 0.57 -0.33 0.00 3.32 -0.81 -0.51 116.42 119.27 1jcj h ASP 220 Ca 0.21 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 1jcj h ASP 220 Cb 0.02 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1jcj h ASP 220 CO -0.09 0.71 -0.13 -0.08 -1.72 0.00 0.00 179.24 177.93 1jcj h GLU 221 N 0.55 0.67 0.08 3.56 4.81 -0.81 -0.39 114.58 123.05 1jcj h GLU 221 Ca 0.10 -0.28 -0.25 0.00 -0.13 0.00 0.00 59.36 58.80 1jcj h GLU 221 Cb 0.50 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1jcj h GLU 221 CO 0.03 0.87 -1.12 -0.07 -0.73 0.00 0.00 179.01 177.99 1jcj h LEU 222 N 0.45 0.42 -0.25 1.64 3.38 -0.96 -3.39 115.31 116.61 1jcj h LEU 222 Ca 0.08 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1jcj h LEU 222 Cb 0.65 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1jcj h LEU 222 CO 0.04 1.27 0.00 0.49 0.09 0.00 0.00 178.44 180.34 1jcj n PHE 223 N -3.60 0.00 0.00 1.13 3.72 -0.22 -5.07 117.46 113.41 1jcj n PHE 223 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1jcj n PHE 223 Cb 0.95 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.49 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 0.59 0.60 0.31 1.37 0.00 -0.15 -4.49 105.19 103.41 1jcj n GLY 224 Ca 0.00 -1.60 0.18 0.00 0.00 0.00 0.00 46.02 44.60 1jcj n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcj h ALA 225 N 0.00 1.28 -0.00 4.61 0.00 -1.87 -1.93 119.26 121.35 1jcj h ALA 225 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jcj h ALA 225 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jcj h ALA 225 CO 0.00 0.01 -0.25 -0.25 0.00 0.00 0.00 179.25 178.76 1jcj n ASP 226 N -3.50 0.35 -0.15 0.00 8.00 -1.26 -4.33 116.55 115.65 1jcj n ASP 226 Ca -0.03 -0.08 -0.11 0.00 0.71 0.00 0.00 54.79 55.29 1jcj n ASP 226 Cb 0.10 -0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.12 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 0.15 0.93 -0.64 1.24 7.01 -1.57 -3.38 115.95 119.68 1jcj h TRP 227 Ca 0.00 -0.19 -0.65 0.00 2.11 0.00 0.00 58.89 60.16 1jcj h TRP 227 Cb 0.48 -0.23 -0.06 0.00 -2.10 0.00 0.00 29.16 27.24 1jcj h TRP 227 CO 0.00 0.93 2.25 0.00 -2.79 0.00 0.00 178.44 178.83 1jcj n ALA 228 N -2.46 3.71 -2.14 2.65 0.00 -1.26 -4.66 120.51 116.36 1jcj n ALA 228 Ca -0.00 -3.75 -0.21 0.00 0.00 0.00 0.00 53.44 49.47 1jcj n ALA 228 Cb 0.36 -3.58 0.04 0.00 0.00 0.00 0.00 19.45 16.26 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 4.31 5.02 0.55 0.00 1.47 -1.26 -4.80 116.67 121.96 1jcj s ASP 229 Ca 0.54 -0.92 0.32 0.00 1.18 0.00 0.00 52.55 53.68 1jcj s ASP 229 Cb 0.06 0.21 1.62 0.00 -0.34 0.00 0.00 42.92 44.47 1jcj s ASP 229 CO 0.06 -1.20 2.11 0.00 0.68 0.00 0.00 175.17 176.82 1jcj h ALA 230 N 0.40 1.18 0.00 2.11 0.00 -1.91 -0.00 119.26 121.04 1jcj h ALA 230 Ca -0.33 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1jcj h ALA 230 Cb 1.29 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1jcj h ALA 230 CO 0.46 0.09 -0.08 -0.09 0.00 0.00 0.00 179.25 179.63 1jcj h ARG 231 N 0.00 0.00 -0.00 0.00 9.65 -1.95 -3.35 114.38 118.73 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 0.31 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 1jcj h ARG 231 CO 0.01 0.08 -0.08 0.72 2.80 0.00 0.00 179.97 183.51 1jcj n HIS 232 N -3.14 0.00 -3.66 2.20 8.25 -0.29 -4.32 115.22 114.26 1jcj n HIS 232 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.38 1jcj n HIS 232 Cb 0.48 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.51 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 -0.82 -0.81 0.04 4.41 6.14 -0.17 -1.14 117.35 124.99 1jcj s TYR 233 Ca 0.02 1.76 -0.03 0.00 0.64 0.00 0.00 57.07 59.46 1jcj s TYR 233 Cb 0.02 0.40 -0.02 0.00 0.42 0.00 0.00 41.96 42.78 1jcj s TYR 233 CO 0.09 -0.41 0.02 1.03 0.64 0.00 0.00 175.55 176.92 1jcj s ARG 234 N 1.06 0.53 -0.31 4.97 1.81 -1.00 -4.35 118.95 121.66 1jcj s ARG 234 Ca -0.06 -0.89 -0.12 0.00 -1.72 0.00 0.00 55.73 52.94 1jcj s ARG 234 Cb -0.05 0.19 -0.03 0.00 -0.45 0.00 0.00 34.95 34.61 1jcj s ARG 234 CO -0.10 -0.11 0.24 -0.06 -0.68 0.00 0.00 175.30 174.58 1jcj s PHE 235 N -2.80 3.22 -0.39 -0.53 0.08 -0.50 -3.75 117.98 113.31 1jcj s PHE 235 Ca -0.03 0.01 -0.22 0.00 0.12 0.00 0.00 56.93 56.80 1jcj s PHE 235 Cb -0.00 -2.46 0.01 0.00 -0.57 0.00 0.00 43.02 40.01 1jcj s PHE 235 CO -0.06 -0.26 0.72 0.20 -0.10 0.00 0.00 175.22 175.72 1jcj s GLY 236 N 1.74 1.67 -0.25 4.36 0.00 -0.71 -0.53 107.32 113.59 1jcj s GLY 236 Ca 0.08 -0.86 -0.20 0.00 0.00 0.00 0.00 44.72 43.74 1jcj s GLY 236 CO 0.11 1.66 0.66 0.00 0.00 0.00 0.00 173.10 175.52 1jcj s ALA 237 N 3.00 -1.68 -0.14 3.20 0.00 -1.02 -3.45 121.76 121.67 1jcj s ALA 237 Ca 0.28 2.03 0.20 0.00 0.00 0.00 0.00 51.96 54.47 1jcj s ALA 237 Cb -0.13 -1.19 -0.17 0.00 0.00 0.00 0.00 23.12 21.63 1jcj s ALA 237 CO 0.18 -0.33 0.70 0.43 0.00 0.00 0.00 175.76 176.74 1jcj n SER 238 N 3.32 0.51 -2.15 0.00 7.64 -1.26 -1.18 113.62 120.49 1jcj n SER 238 Ca -0.16 0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1jcj n SER 238 Cb 0.56 0.88 0.04 0.00 -1.01 0.00 0.00 64.21 64.69 1jcj n SER 238 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1jcj n SER 239 N -2.63 1.56 -0.06 6.43 2.88 -1.26 -4.78 113.62 115.76 1jcj n SER 239 Ca -0.08 -2.21 -0.07 0.00 -1.33 0.00 0.00 58.87 55.18 1jcj n SER 239 Cb 0.71 -0.40 -0.08 0.00 -0.75 0.00 0.00 64.21 63.69 1jcj n SER 239 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1jcj n LEU 240 N -0.20 0.76 -0.27 2.46 7.94 -1.26 -4.53 117.00 121.90 1jcj n LEU 240 Ca 0.09 -0.02 -0.03 0.00 -1.11 0.00 0.00 56.01 54.94 1jcj n LEU 240 Cb 0.94 0.08 0.08 0.00 0.53 0.00 0.00 43.42 45.05 1jcj n LEU 240 CO 0.04 0.39 1.18 0.25 -1.11 0.00 0.00 177.39 178.14 1jcj h LEU 241 N 0.00 0.82 -0.87 -1.96 5.85 -1.88 -1.99 115.31 115.29 1jcj h LEU 241 Ca -0.31 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.43 1jcj h LEU 241 Cb 1.64 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.43 1jcj h LEU 241 CO -0.00 0.58 0.57 0.00 -0.34 0.00 0.00 178.44 179.25 1jcj h ALA 242 N 1.30 1.14 -0.54 1.25 0.00 -1.93 0.02 119.26 120.50 1jcj h ALA 242 Ca 0.29 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1jcj h ALA 242 Cb -0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1jcj h ALA 242 CO -0.09 0.45 0.02 0.77 0.00 0.00 0.00 179.25 180.40 1jcj h SER 243 N 1.13 0.92 -0.24 0.00 0.02 -1.64 -0.11 113.55 113.63 1jcj h SER 243 Ca 0.34 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1jcj h SER 243 Cb -0.05 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 1jcj h SER 243 CO -0.10 0.99 0.10 -0.07 -1.14 0.00 0.00 176.83 176.61 1jcj h LEU 244 N 0.82 0.32 -1.00 5.07 3.38 -0.87 -1.38 115.31 121.65 1jcj h LEU 244 Ca 0.16 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1jcj h LEU 244 Cb 0.50 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1jcj h LEU 244 CO 0.02 0.39 0.23 -0.07 0.09 0.00 0.00 178.44 179.10 1jcj h LEU 245 N 0.24 0.87 -0.67 1.67 3.38 -0.82 -1.95 115.31 118.03 1jcj h LEU 245 Ca 0.08 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1jcj h LEU 245 Cb 0.16 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1jcj h LEU 245 CO -0.01 0.80 0.31 0.50 0.09 0.00 0.00 178.44 180.13 1jcj h LYS 246 N 0.92 0.97 0.00 1.13 3.64 -0.85 0.12 116.57 122.51 1jcj h LYS 246 Ca 0.21 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1jcj h LYS 246 Cb 0.22 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1jcj h LYS 246 CO -0.01 0.77 -0.05 0.00 -2.27 0.00 0.00 179.45 177.89 1jcj h ALA 247 N 1.14 1.74 -0.01 5.00 0.00 -0.74 -1.86 119.26 124.55 1jcj h ALA 247 Ca 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1jcj h ALA 247 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jcj h ALA 247 CO -0.03 0.06 -0.18 1.28 0.00 0.00 0.00 179.25 180.38 1jcj n LEU 248 N -4.22 1.16 0.00 0.00 4.77 -0.71 -4.78 117.00 113.22 1jcj n LEU 248 Ca -0.03 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1jcj n LEU 248 Cb 0.13 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1jcj n LEU 248 CO 0.32 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1jcj n GLY 249 N 1.29 0.74 0.30 -0.72 0.00 -0.70 -5.07 105.19 101.03 1jcj n GLY 249 Ca 0.14 -0.50 0.04 0.00 0.00 0.00 0.00 46.02 45.70 1jcj n GLY 249 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74