#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jcl s MET 1 N 0.00 3.74 0.94 1.57 1.00 -1.26 -5.10 119.30 120.19 1jcl s MET 1 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 55.69 55.20 1jcl s MET 1 Cb 0.00 -3.08 0.12 0.00 0.00 0.00 0.00 34.83 31.87 1jcl s MET 1 CO 0.00 0.36 0.92 0.25 0.00 0.00 0.00 175.02 176.54 1jcl n THR 2 N 3.25 0.00 -0.28 2.05 -2.24 -1.26 -4.70 114.28 111.09 1jcl n THR 2 Ca -0.17 -0.08 0.03 0.00 -2.27 0.00 0.00 64.05 61.56 1jcl n THR 2 Cb 0.53 -0.89 0.16 0.00 -2.10 0.00 0.00 70.33 68.03 1jcl n THR 2 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1jcl h ASP 3 N -1.85 0.63 -0.45 3.42 3.32 -1.99 -0.16 116.42 119.34 1jcl h ASP 3 Ca -0.44 0.05 -0.13 0.00 0.02 0.00 0.00 57.03 56.53 1jcl h ASP 3 Cb 1.28 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1jcl h ASP 3 CO 0.39 0.36 -0.22 0.25 -1.72 0.00 0.00 179.24 178.30 1jcl h LEU 4 N 0.75 1.00 -0.28 1.55 5.85 -1.99 -0.86 115.31 121.32 1jcl h LEU 4 Ca 0.39 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1jcl h LEU 4 Cb 0.37 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1jcl h LEU 4 CO -0.25 1.17 0.13 0.11 -0.34 0.00 0.00 178.44 179.25 1jcl h LYS 5 N 0.84 0.41 -0.54 1.25 1.57 -1.77 -0.26 116.57 118.07 1jcl h LYS 5 Ca 0.11 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1jcl h LYS 5 Cb 0.80 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 1jcl h LYS 5 CO 0.07 0.42 0.31 0.00 -0.57 0.00 0.00 179.45 179.68 1jcl h ALA 6 N 0.98 0.69 -0.39 3.86 0.00 -0.88 -1.33 119.26 122.19 1jcl h ALA 6 Ca 0.10 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1jcl h ALA 6 Cb 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1jcl h ALA 6 CO -0.01 0.19 -0.10 1.03 0.00 0.00 0.00 179.25 180.35 1jcl h SER 7 N 0.72 0.66 -0.36 0.00 0.87 -1.01 -2.23 113.55 112.20 1jcl h SER 7 Ca 0.19 -0.18 -0.11 0.00 -1.23 0.00 0.00 61.79 60.46 1jcl h SER 7 Cb 0.01 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1jcl h SER 7 CO -0.03 0.80 -0.19 0.28 -0.53 0.00 0.00 176.83 177.15 1jcl h SER 8 N 0.62 0.80 -0.62 6.23 0.02 -0.55 0.89 113.55 120.93 1jcl h SER 8 Ca 0.11 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 60.62 1jcl h SER 8 Cb 0.54 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 1jcl h SER 8 CO 0.03 1.03 0.27 0.25 -1.14 0.00 0.00 176.83 177.27 1jcl h LEU 9 N 0.56 0.84 -0.25 5.07 5.85 -1.20 -1.04 115.31 125.14 1jcl h LEU 9 Ca 0.08 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1jcl h LEU 9 Cb 0.74 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1jcl h LEU 9 CO 0.06 0.76 0.16 0.03 -0.34 0.00 0.00 178.44 179.11 1jcl h ARG 10 N 0.86 0.33 -0.82 1.25 3.08 -1.18 -2.47 114.38 115.43 1jcl h ARG 10 Ca 0.21 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 1jcl h ARG 10 Cb 0.17 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1jcl h ARG 10 CO -0.02 0.24 0.50 0.00 -1.07 0.00 0.00 179.97 179.62 1jcl h ALA 11 N 1.07 1.04 -0.28 0.04 0.00 -0.65 -2.22 119.26 118.26 1jcl h ALA 11 Ca 0.09 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1jcl h ALA 11 Cb -0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 1jcl h ALA 11 CO -0.02 0.50 0.03 1.25 0.00 0.00 0.00 179.25 181.01 1jcl h LEU 12 N 1.12 -0.04 0.00 0.00 6.46 -0.99 -1.80 115.31 120.06 1jcl h LEU 12 Ca 0.29 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 58.11 1jcl h LEU 12 Cb -0.05 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1jcl h LEU 12 CO -0.06 0.01 0.00 0.29 -0.62 0.00 0.00 178.44 178.07 1jcl n LYS 13 N -5.12 0.08 -0.14 1.25 5.02 -0.95 -1.93 118.16 116.38 1jcl n LYS 13 Ca -0.00 0.16 0.09 0.00 -2.02 0.00 0.00 58.31 56.54 1jcl n LYS 13 Cb 0.13 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 33.80 1jcl n LYS 13 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1jcl n LEU 14 N -1.44 3.00 -4.75 -0.35 4.77 -0.74 -3.02 117.00 114.48 1jcl n LEU 14 Ca 0.06 -1.48 -0.40 0.00 -0.03 0.00 0.00 56.01 54.16 1jcl n LEU 14 Cb 0.20 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 1jcl n LEU 14 CO 0.16 0.65 0.65 -0.32 -1.33 0.00 0.00 177.39 177.21 1jcl s MET 15 N -1.27 4.83 -0.83 3.23 1.75 -0.81 -1.38 119.30 124.83 1jcl s MET 15 Ca 0.29 1.49 -0.15 0.00 -1.25 0.00 0.00 55.69 56.07 1jcl s MET 15 Cb 0.17 -3.25 0.20 0.00 2.84 0.00 0.00 34.83 34.80 1jcl s MET 15 CO 0.24 0.49 0.81 -0.51 -0.65 0.00 0.00 175.02 175.41 1jcl s ASP 16 N -1.20 6.70 -0.07 1.11 1.11 0.41 -1.50 116.67 123.23 1jcl s ASP 16 Ca 0.42 -2.52 -0.30 0.00 0.18 0.00 0.00 52.55 50.33 1jcl s ASP 16 Cb -0.26 -2.24 -0.04 0.00 1.07 0.00 0.00 42.92 41.45 1jcl s ASP 16 CO 0.32 -0.68 1.47 -0.22 1.18 0.00 0.00 175.17 177.24 1jcl s LEU 17 N 0.69 4.28 0.03 1.23 2.96 -0.36 -2.93 118.68 124.57 1jcl s LEU 17 Ca 0.19 2.04 0.08 0.00 -0.22 0.00 0.00 54.13 56.23 1jcl s LEU 17 Cb -0.11 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 1jcl s LEU 17 CO -0.08 -0.82 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.02 1jcl s THR 18 N 3.38 2.41 -0.04 3.68 2.01 -0.36 -0.72 115.64 126.00 1jcl s THR 18 Ca 0.65 -1.23 -0.01 0.00 0.31 0.00 0.00 61.69 61.41 1jcl s THR 18 Cb -0.29 -1.95 0.03 0.00 0.01 0.00 0.00 72.50 70.30 1jcl s THR 18 CO 0.24 0.41 0.05 0.28 -0.69 0.00 0.00 174.62 174.91 1jcl s THR 19 N -0.81 -0.09 -0.40 -0.82 -1.32 -0.60 -4.13 115.64 107.46 1jcl s THR 19 Ca 0.12 0.37 0.06 0.00 -1.21 0.00 0.00 61.69 61.04 1jcl s THR 19 Cb -0.10 -0.14 0.22 0.00 -1.51 0.00 0.00 72.50 70.97 1jcl s THR 19 CO 0.02 0.16 0.45 0.18 -2.21 0.00 0.00 174.62 173.22 1jcl n LEU 20 N 5.02 -0.08 -4.30 9.08 4.77 -1.26 -4.19 117.00 126.04 1jcl n LEU 20 Ca -0.09 -4.56 -0.16 0.00 -0.03 0.00 0.00 56.01 51.16 1jcl n LEU 20 Cb 0.50 0.59 -0.10 0.00 -2.33 0.00 0.00 43.42 42.08 1jcl n LEU 20 CO 0.10 1.98 -0.42 0.20 -1.33 0.00 0.00 177.39 177.92 1jcl s ASN 21 N -0.66 2.15 0.41 -1.43 0.01 -1.26 -5.02 114.94 109.15 1jcl s ASN 21 Ca 0.34 -1.03 0.11 0.00 -0.71 0.00 0.00 52.86 51.57 1jcl s ASN 21 Cb 0.11 -0.07 0.88 0.00 0.41 0.00 0.00 41.25 42.58 1jcl s ASN 21 CO -0.15 -0.27 1.96 0.44 -1.51 0.00 0.00 177.10 177.57 1jcl h ASP 22 N 2.66 0.15 -0.63 -1.22 3.32 -2.07 -2.14 116.42 116.49 1jcl h ASP 22 Ca -0.37 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.53 1jcl h ASP 22 Cb 1.21 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.64 1jcl h ASP 22 CO 0.63 0.30 0.14 -0.90 -1.72 0.00 0.00 179.24 177.69 1jcl n ASP 23 N -4.31 5.01 -4.75 6.45 5.68 -1.26 -4.96 116.55 118.41 1jcl n ASP 23 Ca -0.01 -3.13 -0.37 0.00 -0.50 0.00 0.00 54.79 50.78 1jcl n ASP 23 Cb 0.24 -0.71 0.04 0.00 -1.14 0.00 0.00 41.12 39.56 1jcl n ASP 23 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1jcl s ASP 24 N -1.09 5.21 0.16 -1.12 1.01 -0.81 -5.02 116.67 115.01 1jcl s ASP 24 Ca 0.54 2.60 -0.02 0.00 0.71 0.00 0.00 52.55 56.37 1jcl s ASP 24 Cb 0.42 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 1jcl s ASP 24 CO 0.14 -1.60 0.11 0.42 0.21 0.00 0.00 175.17 174.45 1jcl s THR 25 N -1.41 0.07 0.23 -1.27 -4.23 -1.26 -5.03 115.64 102.73 1jcl s THR 25 Ca 0.74 -1.87 -0.06 0.00 -1.18 0.00 0.00 61.69 59.33 1jcl s THR 25 Cb -0.36 -2.15 0.19 0.00 1.34 0.00 0.00 72.50 71.52 1jcl s THR 25 CO 0.41 -0.31 1.78 0.44 -0.54 0.00 0.00 174.62 176.40 1jcl h ASP 26 N 2.75 0.48 -0.89 3.99 3.45 -1.99 -1.38 116.42 122.82 1jcl h ASP 26 Ca -0.35 0.07 0.01 0.00 0.43 0.00 0.00 57.03 57.19 1jcl h ASP 26 Cb 1.22 -0.01 -0.05 0.00 -0.56 0.00 0.00 39.33 39.93 1jcl h ASP 26 CO 0.56 0.26 0.59 -0.33 -1.57 0.00 0.00 179.24 178.75 1jcl h GLU 27 N 0.61 1.16 -0.60 3.56 3.07 -1.99 0.74 114.58 121.14 1jcl h GLU 27 Ca 0.37 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 59.08 1jcl h GLU 27 Cb 0.41 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 1jcl h GLU 27 CO -0.28 0.77 0.06 0.87 -1.40 0.00 0.00 179.01 179.02 1jcl h LYS 28 N 1.19 1.01 -0.29 2.33 1.57 -1.82 -1.35 116.57 119.22 1jcl h LYS 28 Ca 0.33 -0.29 -0.18 0.00 -1.87 0.00 0.00 60.65 58.64 1jcl h LYS 28 Cb -0.12 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.09 1jcl h LYS 28 CO -0.08 0.97 -0.52 0.28 -0.57 0.00 0.00 179.45 179.53 1jcl h VAL 29 N 0.91 1.28 -0.48 0.50 2.07 -0.72 -1.44 116.25 118.37 1jcl h VAL 29 Ca 0.18 -1.71 0.02 0.00 0.82 0.00 0.00 66.70 66.01 1jcl h VAL 29 Cb 0.47 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1jcl h VAL 29 CO 0.02 0.56 0.28 0.40 0.02 0.00 0.00 177.57 178.85 1jcl h ILE 30 N 0.64 1.05 -0.84 4.57 2.04 -0.71 -0.59 117.51 123.66 1jcl h ILE 30 Ca 0.02 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.69 1jcl h ILE 30 Cb 1.13 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 1jcl h ILE 30 CO 0.12 0.10 0.56 0.00 0.00 0.00 0.00 178.15 178.93 1jcl h ALA 31 N 1.22 1.08 -0.56 1.87 0.00 -1.12 -1.79 119.26 119.95 1jcl h ALA 31 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jcl h ALA 31 Cb 0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1jcl h ALA 31 CO -0.09 0.46 0.35 1.25 0.00 0.00 0.00 179.25 181.22 1jcl h LEU 32 N 1.13 0.66 -0.75 0.00 5.85 -0.67 -0.83 115.31 120.70 1jcl h LEU 32 Ca 0.31 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.01 1jcl h LEU 32 Cb -0.11 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 1jcl h LEU 32 CO -0.07 0.51 0.48 0.00 -0.34 0.00 0.00 178.44 179.02 1jcl h HIS 34 N 0.95 0.82 0.00 0.00 3.86 -0.87 -2.67 115.15 117.24 1jcl h HIS 34 Ca 0.30 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.36 1jcl h HIS 34 Cb -0.02 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 1jcl h HIS 34 CO -0.03 0.75 -0.20 1.96 0.86 0.00 0.00 177.93 181.27 1jcl h GLN 35 N 0.73 0.00 0.00 2.45 4.20 -0.41 -2.73 115.11 119.35 1jcl h GLN 35 Ca 0.15 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 1jcl h GLN 35 Cb 0.42 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1jcl h GLN 35 CO 0.02 0.20 -0.01 0.00 -0.67 0.00 0.00 178.83 178.36 1jcl h ALA 36 N 1.80 1.00 -2.28 3.87 0.00 -0.93 -3.36 119.26 119.36 1jcl h ALA 36 Ca -0.00 -0.01 -0.73 0.00 0.00 0.00 0.00 54.91 54.17 1jcl h ALA 36 Cb 0.39 -0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.97 1jcl h ALA 36 CO 0.03 0.02 0.47 0.21 0.00 0.00 0.00 179.25 179.97 1jcl s LYS 37 N -3.69 3.55 0.35 0.00 2.20 -1.03 -1.54 119.74 119.57 1jcl s LYS 37 Ca 0.01 -2.00 0.07 0.00 -0.36 0.00 0.00 55.97 53.69 1jcl s LYS 37 Cb 0.09 -4.65 -0.01 0.00 -1.51 0.00 0.00 37.83 31.75 1jcl s LYS 37 CO 0.54 -1.56 0.45 0.95 -0.36 0.00 0.00 175.35 175.38 1jcl s THR 38 N 1.68 3.80 -0.52 3.43 -4.23 -0.60 -5.00 115.64 114.20 1jcl s THR 38 Ca 0.25 -1.07 0.20 0.00 -1.18 0.00 0.00 61.69 59.89 1jcl s THR 38 Cb -0.09 -3.31 0.20 0.00 1.34 0.00 0.00 72.50 70.64 1jcl s THR 38 CO -0.08 -0.13 1.60 -2.65 -0.54 0.00 0.00 174.62 172.82 1jcl n PRO 39 N -1.62 0.14 -0.03 3.99 -0.02 -1.26 -2.32 135.00 133.88 1jcl n PRO 39 Ca 0.01 0.47 0.06 0.00 -2.02 0.00 0.00 63.50 62.01 1jcl n PRO 39 Cb 0.59 -1.81 0.07 0.00 -0.02 0.00 0.00 33.50 32.32 1jcl n PRO 39 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1jcl n VAL 40 N -2.08 0.18 0.00 -1.45 0.24 -1.26 -5.09 118.33 108.87 1jcl n VAL 40 Ca 0.01 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 1jcl n VAL 40 Cb 0.15 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.62 1jcl n VAL 40 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jcl n GLY 41 N 0.61 1.87 3.92 7.63 0.00 -0.98 -5.08 105.19 113.16 1jcl n GLY 41 Ca 0.07 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 1jcl n GLY 41 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jcl s ASN 42 N 0.00 6.37 0.93 1.61 0.02 -1.26 -1.55 114.94 121.05 1jcl s ASN 42 Ca 0.00 0.29 -0.11 0.00 -1.02 0.00 0.00 52.86 52.01 1jcl s ASN 42 Cb 0.00 -1.97 0.15 0.00 0.02 0.00 0.00 41.25 39.45 1jcl s ASN 42 CO 0.00 0.16 1.09 0.42 0.02 0.00 0.00 177.10 178.79 1jcl s THR 43 N -1.52 2.54 0.24 1.60 -4.23 -0.59 -4.34 115.64 109.34 1jcl s THR 43 Ca 0.35 0.17 -0.03 0.00 -1.18 0.00 0.00 61.69 61.01 1jcl s THR 43 Cb -0.13 -2.52 0.08 0.00 1.34 0.00 0.00 72.50 71.27 1jcl s THR 43 CO 0.28 -0.23 1.71 0.00 -0.54 0.00 0.00 174.62 175.84 1jcl h ALA 44 N -1.72 1.02 -3.00 3.99 0.00 -1.17 -3.45 119.26 114.93 1jcl h ALA 44 Ca -0.50 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.16 1jcl h ALA 44 Cb 1.28 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1jcl h ALA 44 CO 0.52 0.59 0.23 0.00 0.00 0.00 0.00 179.25 180.59 1jcl s ALA 45 N -4.84 -1.13 0.30 0.00 0.00 -0.73 -1.80 121.76 113.55 1jcl s ALA 45 Ca -0.09 -0.39 0.10 0.00 0.00 0.00 0.00 51.96 51.58 1jcl s ALA 45 Cb 0.14 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 24.04 1jcl s ALA 45 CO 0.82 -1.03 -0.07 0.96 0.00 0.00 0.00 175.76 176.44 1jcl s ILE 46 N -3.67 2.83 -0.06 0.00 -4.36 -0.12 -1.23 121.20 114.60 1jcl s ILE 46 Ca 0.12 -2.11 -0.01 0.00 -0.26 0.00 0.00 60.65 58.39 1jcl s ILE 46 Cb -0.06 -2.63 0.03 0.00 1.25 0.00 0.00 42.46 41.04 1jcl s ILE 46 CO 0.08 -0.33 0.01 0.00 0.24 0.00 0.00 174.94 174.94 1jcl s ILE 48 N 1.73 0.11 0.61 0.00 -4.36 -0.95 -1.56 121.20 116.79 1jcl s ILE 48 Ca 0.01 -1.58 -0.18 0.00 -0.26 0.00 0.00 60.65 58.64 1jcl s ILE 48 Cb -0.13 -1.78 -0.03 0.00 1.25 0.00 0.00 42.46 41.78 1jcl s ILE 48 CO -0.04 -0.50 1.16 -0.31 0.24 0.00 0.00 174.94 175.49 1jcl s TYR 49 N -3.97 2.49 0.30 1.37 4.12 -1.26 -4.03 117.35 116.37 1jcl s TYR 49 Ca 0.16 1.54 0.02 0.00 0.02 0.00 0.00 57.07 58.81 1jcl s TYR 49 Cb 0.06 -3.35 0.58 0.00 -1.52 0.00 0.00 41.96 37.72 1jcl s TYR 49 CO -0.03 -1.94 1.87 -1.35 0.02 0.00 0.00 175.55 174.12 1jcl h PRO 50 N 0.67 0.94 0.00 -1.71 0.11 -1.94 -1.51 132.00 128.56 1jcl h PRO 50 Ca -0.49 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 1jcl h PRO 50 Cb 1.27 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1jcl h PRO 50 CO 0.55 0.62 -0.00 0.07 -0.21 0.00 0.00 178.00 179.03 1jcl h ARG 51 N 0.97 0.00 -0.02 1.05 0.11 -1.98 -1.35 114.38 113.16 1jcl h ARG 51 Ca 0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.52 1jcl h ARG 51 Cb 0.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.48 1jcl h ARG 51 CO -0.20 0.00 -0.03 1.19 0.10 0.00 0.00 179.97 181.03 1jcl n PHE 52 N -3.11 0.00 -0.01 4.08 3.01 -0.57 -4.46 117.46 116.40 1jcl n PHE 52 Ca -0.02 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.33 1jcl n PHE 52 Cb 0.11 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 39.52 1jcl n PHE 52 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1jcl h ILE 53 N 2.45 1.00 -0.57 4.37 2.04 -1.34 -1.45 117.51 124.00 1jcl h ILE 53 Ca 0.00 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1jcl h ILE 53 Cb 0.55 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1jcl h ILE 53 CO 0.00 0.02 0.37 -0.65 0.00 0.00 0.00 178.15 177.89 1jcl h PRO 54 N 0.12 0.72 -0.21 2.37 0.11 -1.78 0.01 132.00 133.34 1jcl h PRO 54 Ca 0.05 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.00 1jcl h PRO 54 Cb 0.01 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 1jcl h PRO 54 CO -0.03 0.48 -0.37 0.97 -0.21 0.00 0.00 178.00 178.84 1jcl h ILE 55 N 0.74 1.29 -0.51 4.15 6.09 -1.84 -2.22 117.51 125.22 1jcl h ILE 55 Ca 0.22 -1.49 -0.04 0.00 -1.37 0.00 0.00 64.86 62.18 1jcl h ILE 55 Cb -0.04 1.53 -0.02 0.00 0.47 0.00 0.00 36.82 38.76 1jcl h ILE 55 CO -0.07 0.46 0.15 0.00 -3.07 0.00 0.00 178.15 175.62 1jcl h ALA 56 N 1.21 0.67 -0.59 0.18 0.00 -0.85 -1.26 119.26 118.63 1jcl h ALA 56 Ca 0.04 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1jcl h ALA 56 Cb 0.83 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1jcl h ALA 56 CO 0.07 0.34 0.38 -0.09 0.00 0.00 0.00 179.25 179.95 1jcl h ARG 57 N 0.70 0.74 -0.60 0.00 9.65 -0.79 -0.22 114.38 123.87 1jcl h ARG 57 Ca 0.16 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 59.01 1jcl h ARG 57 Cb 0.30 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 1jcl h ARG 57 CO -0.00 0.49 0.38 -0.22 2.80 0.00 0.00 179.97 183.42 1jcl h LYS 58 N 0.76 0.75 -0.32 0.20 3.64 -1.20 -1.47 116.57 118.93 1jcl h LYS 58 Ca 0.23 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 1jcl h LYS 58 Cb -0.04 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1jcl h LYS 58 CO -0.07 0.50 -0.01 1.15 -2.27 0.00 0.00 179.45 178.75 1jcl h THR 59 N 0.77 1.26 -0.80 1.00 2.02 -0.71 -0.75 112.91 115.71 1jcl h THR 59 Ca 0.23 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 1jcl h THR 59 Cb -0.04 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 1jcl h THR 59 CO -0.07 0.32 0.48 -0.07 0.37 0.00 0.00 175.52 176.54 1jcl h LEU 60 N 0.36 0.96 -0.23 2.58 3.38 -0.93 -2.13 115.31 119.30 1jcl h LEU 60 Ca 0.09 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1jcl h LEU 60 Cb 0.46 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1jcl h LEU 60 CO 0.02 0.74 -0.06 0.50 0.09 0.00 0.00 178.44 179.72 1jcl h LYS 61 N 1.10 0.45 0.00 1.13 3.64 -1.01 -0.66 116.57 121.23 1jcl h LYS 61 Ca 0.29 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1jcl h LYS 61 Cb -0.04 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1jcl h LYS 61 CO -0.05 0.69 -0.25 0.93 -2.27 0.00 0.00 179.45 178.50 1jcl h GLU 62 N 0.19 0.00 -0.34 1.90 4.39 -0.91 -1.49 114.58 118.32 1jcl h GLU 62 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1jcl h GLU 62 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1jcl h GLU 62 CO 0.02 0.25 0.00 0.00 -1.16 0.00 0.00 179.01 178.12 1jcl n GLN 63 N -3.61 1.83 -1.43 2.33 10.64 -0.82 -4.93 117.38 121.39 1jcl n GLN 63 Ca -0.01 -1.28 -0.02 0.00 -1.83 0.00 0.00 57.00 53.86 1jcl n GLN 63 Cb 0.38 -1.30 -0.01 0.00 -0.86 0.00 0.00 30.24 28.46 1jcl n GLN 63 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1jcl n GLY 64 N 1.09 0.45 2.65 2.61 0.00 -0.56 -4.97 105.19 106.45 1jcl n GLY 64 Ca 0.13 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 1jcl n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jcl n THR 65 N -3.33 1.82 0.41 2.61 -2.24 -0.27 -4.89 114.28 108.38 1jcl n THR 65 Ca -0.02 -5.18 0.11 0.00 -2.27 0.00 0.00 64.05 56.68 1jcl n THR 65 Cb 0.24 -0.95 0.46 0.00 -2.10 0.00 0.00 70.33 67.99 1jcl n THR 65 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1jcl n PRO 66 N -0.05 0.17 0.05 -0.78 -0.04 -1.24 -2.17 135.00 130.93 1jcl n PRO 66 Ca 0.29 0.40 0.13 0.00 -0.04 0.00 0.00 63.50 64.27 1jcl n PRO 66 Cb 0.50 -1.82 0.50 0.00 -0.04 0.00 0.00 33.50 32.64 1jcl n PRO 66 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1jcl n GLU 67 N -2.13 0.10 -2.17 0.54 0.00 -1.26 -4.71 120.64 111.01 1jcl n GLU 67 Ca 0.02 0.13 -0.42 0.00 0.00 0.00 0.00 57.16 56.89 1jcl n GLU 67 Cb 0.22 -1.63 -0.03 0.00 0.00 0.00 0.00 31.44 30.00 1jcl n GLU 67 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1jcl s ILE 68 N -3.06 3.63 0.55 3.84 1.01 -0.92 -4.94 121.20 121.31 1jcl s ILE 68 Ca 0.11 1.00 -0.15 0.00 0.00 0.00 0.00 60.65 61.61 1jcl s ILE 68 Cb 0.15 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.91 1jcl s ILE 68 CO 0.51 -0.01 1.01 -0.13 0.00 0.00 0.00 174.94 176.31 1jcl s ARG 69 N 2.61 3.77 -0.28 2.79 1.81 -0.75 -4.85 118.95 124.05 1jcl s ARG 69 Ca 0.66 0.94 -0.03 0.00 -1.72 0.00 0.00 55.73 55.57 1jcl s ARG 69 Cb -0.32 -2.11 0.03 0.00 -0.45 0.00 0.00 34.95 32.10 1jcl s ARG 69 CO 0.27 -0.42 0.00 0.42 -0.68 0.00 0.00 175.30 174.89 1jcl s ILE 70 N -2.73 3.27 0.21 1.52 1.01 -1.26 -0.94 121.20 122.27 1jcl s ILE 70 Ca 0.59 -1.02 0.05 0.00 0.00 0.00 0.00 60.65 60.26 1jcl s ILE 70 Cb -0.11 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 1jcl s ILE 70 CO 0.37 0.07 0.25 0.00 0.00 0.00 0.00 174.94 175.63 1jcl s ALA 71 N 1.36 3.76 0.22 9.38 0.00 0.35 -0.57 121.76 136.26 1jcl s ALA 71 Ca -0.01 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 50.71 1jcl s ALA 71 Cb -0.18 -1.53 -0.00 0.00 0.00 0.00 0.00 23.12 21.41 1jcl s ALA 71 CO -0.01 0.35 0.27 -2.37 0.00 0.00 0.00 175.76 174.00 1jcl n THR 72 N -0.98 0.00 -4.41 0.00 5.66 -0.66 -2.23 114.28 111.66 1jcl n THR 72 Ca -0.08 -1.26 -0.22 0.00 -3.05 0.00 0.00 64.05 59.44 1jcl n THR 72 Cb 0.56 0.72 -0.13 0.00 -1.55 0.00 0.00 70.33 69.93 1jcl n THR 72 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1jcl s VAL 73 N -2.73 1.32 0.11 1.08 -7.23 -1.26 -0.32 120.40 111.38 1jcl s VAL 73 Ca 0.21 -1.13 -0.01 0.00 -1.81 0.00 0.00 61.98 59.23 1jcl s VAL 73 Cb -0.00 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 1jcl s VAL 73 CO 0.15 0.03 0.03 0.42 -0.31 0.00 0.00 175.10 175.42 1jcl s THR 74 N -0.90 0.15 -1.38 5.32 -4.23 -0.67 -4.69 115.64 109.24 1jcl s THR 74 Ca 0.03 -1.88 -0.05 0.00 -1.18 0.00 0.00 61.69 58.61 1jcl s THR 74 Cb -0.08 -1.88 0.03 0.00 1.34 0.00 0.00 72.50 71.91 1jcl s THR 74 CO 0.02 -0.64 0.42 -3.20 -0.54 0.00 0.00 174.62 170.68 1jcl n ASN 75 N -0.03 -4.76 -4.33 3.99 5.15 -1.26 -1.82 115.26 112.19 1jcl n ASN 75 Ca -0.08 -0.23 -0.31 0.00 -0.60 0.00 0.00 54.58 53.36 1jcl n ASN 75 Cb 0.63 -3.91 -0.15 0.00 -0.53 0.00 0.00 39.78 35.81 1jcl n ASN 75 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1jcl s PHE 76 N -2.97 2.36 -2.03 1.20 5.36 -1.26 -1.45 117.98 119.18 1jcl s PHE 76 Ca 0.27 -0.41 0.28 0.00 -0.96 0.00 0.00 56.93 56.11 1jcl s PHE 76 Cb -0.13 -1.48 0.98 0.00 -0.34 0.00 0.00 43.02 42.05 1jcl s PHE 76 CO 0.34 0.03 1.70 -0.35 -1.46 0.00 0.00 175.22 175.48 1jcl n PRO 77 N 2.22 1.14 0.24 10.12 -0.04 -1.26 -4.93 135.00 142.48 1jcl n PRO 77 Ca -0.16 -0.62 0.14 0.00 -0.04 0.00 0.00 63.50 62.82 1jcl n PRO 77 Cb 0.51 -1.49 0.37 0.00 -0.04 0.00 0.00 33.50 32.85 1jcl n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jcl h HIS 78 N 1.51 0.00 -5.55 0.54 3.86 -1.96 -3.47 115.15 110.08 1jcl h HIS 78 Ca 0.00 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.85 1jcl h HIS 78 Cb 0.46 0.00 0.14 0.00 1.06 0.00 0.00 27.41 29.08 1jcl h HIS 78 CO 0.00 0.00 -0.67 0.41 0.86 0.00 0.00 177.93 178.53 1jcl n GLY 79 N 0.71 -0.42 3.67 2.45 0.00 -0.53 -4.89 105.19 106.18 1jcl n GLY 79 Ca 0.03 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1jcl n GLY 79 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jcl s ASN 80 N -3.65 2.89 -0.29 1.61 0.01 -1.26 -4.05 114.94 110.19 1jcl s ASN 80 Ca 0.36 1.57 0.11 0.00 -0.71 0.00 0.00 52.86 54.19 1jcl s ASN 80 Cb -0.16 -2.23 0.72 0.00 0.41 0.00 0.00 41.25 39.99 1jcl s ASN 80 CO 0.69 -3.02 1.73 -0.90 -1.51 0.00 0.00 177.10 174.10 1jcl n ASP 81 N -4.14 4.74 -4.43 -1.22 5.68 -1.26 -4.53 116.55 111.40 1jcl n ASP 81 Ca 0.07 -3.19 -0.44 0.00 -0.50 0.00 0.00 54.79 50.73 1jcl n ASP 81 Cb 0.55 -0.71 -0.05 0.00 -1.14 0.00 0.00 41.12 39.77 1jcl n ASP 81 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1jcl s ASP 82 N -1.21 6.21 0.23 -1.12 -1.08 -1.26 -4.93 116.67 113.52 1jcl s ASP 82 Ca 0.53 -1.05 -0.05 0.00 -0.52 0.00 0.00 52.55 51.46 1jcl s ASP 82 Cb 0.42 -2.33 0.24 0.00 -1.46 0.00 0.00 42.92 39.79 1jcl s ASP 82 CO 0.13 -1.09 1.75 0.40 0.52 0.00 0.00 175.17 176.87 1jcl h ILE 83 N 5.92 1.25 -0.88 4.11 2.04 -1.96 -1.99 117.51 126.00 1jcl h ILE 83 Ca -0.28 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1jcl h ILE 83 Cb 1.09 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 1jcl h ILE 83 CO 1.06 0.36 0.56 0.44 0.00 0.00 0.00 178.15 180.57 1jcl h ASP 84 N 0.93 1.03 -0.11 1.72 3.32 -1.99 0.11 116.42 121.44 1jcl h ASP 84 Ca 0.19 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1jcl h ASP 84 Cb 0.38 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1jcl h ASP 84 CO 0.01 0.76 -0.05 0.40 -1.72 0.00 0.00 179.24 178.64 1jcl h ILE 85 N 1.20 1.32 -0.96 0.35 2.04 -1.94 -0.93 117.51 118.60 1jcl h ILE 85 Ca 0.32 -1.08 0.02 0.00 1.00 0.00 0.00 64.86 65.12 1jcl h ILE 85 Cb -0.10 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 1jcl h ILE 85 CO -0.07 0.31 0.63 0.00 0.00 0.00 0.00 178.15 179.02 1jcl h ALA 86 N 0.65 1.23 -0.31 1.87 0.00 -1.00 -1.02 119.26 120.68 1jcl h ALA 86 Ca 0.02 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1jcl h ALA 86 Cb 0.51 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1jcl h ALA 86 CO 0.02 0.58 -0.18 1.25 0.00 0.00 0.00 179.25 180.91 1jcl h LEU 87 N 1.27 0.70 -0.76 0.00 5.85 -0.73 -1.29 115.31 120.36 1jcl h LEU 87 Ca 0.36 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1jcl h LEU 87 Cb -0.11 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 1jcl h LEU 87 CO -0.09 0.97 0.50 0.00 -0.34 0.00 0.00 178.44 179.48 1jcl h ALA 88 N 0.75 0.96 -0.59 1.25 0.00 -0.82 0.10 119.26 120.91 1jcl h ALA 88 Ca 0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1jcl h ALA 88 Cb 0.72 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1jcl h ALA 88 CO 0.05 0.38 0.13 0.93 0.00 0.00 0.00 179.25 180.74 1jcl h GLU 89 N 1.03 0.92 -0.38 0.00 5.08 -1.09 -0.66 114.58 119.47 1jcl h GLU 89 Ca 0.28 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1jcl h GLU 89 Cb -0.12 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1jcl h GLU 89 CO -0.06 0.83 0.01 1.15 -1.00 0.00 0.00 179.01 179.94 1jcl h THR 90 N 0.88 1.26 -0.92 1.13 2.02 -0.67 -0.17 112.91 116.43 1jcl h THR 90 Ca 0.19 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 1jcl h THR 90 Cb 0.33 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 1jcl h THR 90 CO 0.00 0.33 0.55 0.03 0.37 0.00 0.00 175.52 176.80 1jcl h ARG 91 N 0.49 1.25 -0.58 6.66 3.08 -0.59 -1.16 114.38 123.54 1jcl h ARG 91 Ca 0.11 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1jcl h ARG 91 Cb 0.45 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1jcl h ARG 91 CO 0.02 0.88 0.08 0.00 -1.07 0.00 0.00 179.97 179.87 1jcl h ALA 92 N 1.34 0.77 -0.64 0.04 0.00 -0.83 -0.97 119.26 118.97 1jcl h ALA 92 Ca 0.33 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1jcl h ALA 92 Cb -0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 1jcl h ALA 92 CO -0.06 0.54 0.37 0.00 0.00 0.00 0.00 179.25 180.10 1jcl h ALA 93 N 1.00 0.83 -0.29 0.00 0.00 -0.59 0.72 119.26 120.93 1jcl h ALA 93 Ca 0.17 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1jcl h ALA 93 Cb 0.44 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1jcl h ALA 93 CO 0.01 0.09 0.16 0.82 0.00 0.00 0.00 179.25 180.33 1jcl h ILE 94 N 0.72 1.01 -0.42 0.00 2.04 -1.00 -1.38 117.51 118.48 1jcl h ILE 94 Ca 0.27 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.95 1jcl h ILE 94 Cb 0.08 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1jcl h ILE 94 CO -0.13 0.06 -0.03 0.00 0.00 0.00 0.00 178.15 178.05 1jcl h ALA 95 N 1.14 1.16 0.00 1.87 0.00 -0.38 -1.60 119.26 121.45 1jcl h ALA 95 Ca 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1jcl h ALA 95 Cb 0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1jcl h ALA 95 CO -0.07 0.54 -0.10 1.88 0.00 0.00 0.00 179.25 181.51 1jcl h TYR 96 N 0.65 0.00 0.00 0.00 -1.99 -0.68 -3.46 116.97 111.48 1jcl h TYR 96 Ca 0.13 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.86 1jcl h TYR 96 Cb 0.45 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.18 1jcl h TYR 96 CO 0.02 0.10 0.00 0.41 -0.00 0.00 0.00 178.16 178.69 1jcl n GLY 97 N -1.13 1.93 3.73 3.88 0.00 -0.60 -4.34 105.19 108.64 1jcl n GLY 97 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1jcl n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcl n ALA 98 N -0.18 1.52 0.03 4.61 0.00 -0.54 -4.92 120.51 121.02 1jcl n ALA 98 Ca 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 53.44 53.57 1jcl n ALA 98 Cb 0.00 -2.32 -0.12 0.00 0.00 0.00 0.00 19.45 17.01 1jcl n ALA 98 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1jcl h ASP 99 N 1.83 0.00 -4.59 0.00 3.32 -1.19 -3.45 116.42 112.34 1jcl h ASP 99 Ca -0.50 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.41 1jcl h ASP 99 Cb 1.30 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.62 1jcl h ASP 99 CO 0.59 0.95 -0.41 -1.61 -1.72 0.00 0.00 179.24 177.03 1jcl s GLU 100 N -2.69 0.47 -0.08 3.56 2.02 -0.98 -2.23 118.70 118.77 1jcl s GLU 100 Ca -0.01 -0.10 0.03 0.00 0.02 0.00 0.00 54.97 54.91 1jcl s GLU 100 Cb 0.09 0.21 0.01 0.00 0.10 0.00 0.00 34.13 34.53 1jcl s GLU 100 CO 0.82 -0.11 -0.17 0.08 0.02 0.00 0.00 175.26 175.90 1jcl s VAL 101 N -0.86 1.52 -0.43 2.63 1.01 -0.03 -1.66 120.40 122.58 1jcl s VAL 101 Ca -0.09 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 1jcl s VAL 101 Cb -0.05 -1.35 0.08 0.00 0.00 0.00 0.00 36.38 35.06 1jcl s VAL 101 CO 0.02 0.44 0.28 -1.81 0.00 0.00 0.00 175.10 174.03 1jcl s ASP 102 N 0.59 5.69 -0.05 3.32 1.11 0.57 -0.44 116.67 127.45 1jcl s ASP 102 Ca -0.15 -1.53 -0.07 0.00 0.18 0.00 0.00 52.55 50.97 1jcl s ASP 102 Cb -0.16 -2.01 -0.04 0.00 1.07 0.00 0.00 42.92 41.77 1jcl s ASP 102 CO 0.05 -0.57 0.22 0.54 1.18 0.00 0.00 175.17 176.60 1jcl s VAL 103 N 1.44 5.37 -0.16 -1.27 0.11 0.00 -1.67 120.40 124.22 1jcl s VAL 103 Ca 0.03 0.25 -0.25 0.00 -2.93 0.00 0.00 61.98 59.08 1jcl s VAL 103 Cb -0.23 -3.51 -0.02 0.00 -1.53 0.00 0.00 36.38 31.09 1jcl s VAL 103 CO 0.02 0.50 0.82 -0.69 -3.33 0.00 0.00 175.10 172.43 1jcl s VAL 104 N -1.15 4.89 0.52 2.04 1.01 -0.76 -0.56 120.40 126.40 1jcl s VAL 104 Ca 0.21 1.62 -0.22 0.00 0.00 0.00 0.00 61.98 63.59 1jcl s VAL 104 Cb -0.13 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 1jcl s VAL 104 CO 0.11 0.04 1.34 0.12 0.00 0.00 0.00 175.10 176.71 1jcl s PHE 105 N 2.04 2.39 -1.32 5.22 5.36 0.11 -4.62 117.98 127.17 1jcl s PHE 105 Ca 0.38 1.38 -0.17 0.00 -0.96 0.00 0.00 56.93 57.57 1jcl s PHE 105 Cb -0.17 -3.75 0.03 0.00 -0.34 0.00 0.00 43.02 38.79 1jcl s PHE 105 CO 0.13 -2.70 1.97 -0.35 -1.46 0.00 0.00 175.22 172.81 1jcl n PRO 106 N -0.84 2.81 0.03 10.12 -0.04 -1.26 -4.58 135.00 141.24 1jcl n PRO 106 Ca 0.09 -2.83 -0.06 0.00 -0.04 0.00 0.00 63.50 60.66 1jcl n PRO 106 Cb 0.45 -3.39 0.13 0.00 -0.04 0.00 0.00 33.50 30.66 1jcl n PRO 106 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1jcl h TYR 107 N 7.09 0.54 -0.48 0.54 -0.00 -1.86 -2.53 116.97 120.27 1jcl h TYR 107 Ca 0.48 -0.16 -0.07 0.00 0.00 0.00 0.00 58.73 58.98 1jcl h TYR 107 Cb 0.76 -0.11 -0.02 0.00 0.00 0.00 0.00 36.73 37.36 1jcl h TYR 107 CO 1.41 0.81 0.00 0.00 -0.00 0.00 0.00 178.16 180.38 1jcl h ARG 108 N 0.37 0.79 -0.66 0.10 3.08 -1.85 -0.90 114.38 115.30 1jcl h ARG 108 Ca 0.03 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1jcl h ARG 108 Cb 0.91 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 1jcl h ARG 108 CO 0.08 0.80 0.37 0.00 -1.07 0.00 0.00 179.97 180.15 1jcl h ALA 109 N 1.26 0.84 -0.66 0.04 0.00 -1.80 -1.45 119.26 117.48 1jcl h ALA 109 Ca 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1jcl h ALA 109 Cb 0.45 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1jcl h ALA 109 CO 0.02 0.35 0.36 1.25 0.00 0.00 0.00 179.25 181.23 1jcl h LEU 110 N 0.90 0.83 -2.06 0.00 5.85 -1.03 -0.06 115.31 119.74 1jcl h LEU 110 Ca 0.23 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1jcl h LEU 110 Cb 0.02 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 1jcl h LEU 110 CO -0.04 0.69 -0.06 0.24 -0.34 0.00 0.00 178.44 178.93 1jcl h MET 111 N 0.91 0.00 -0.52 1.25 2.86 -0.77 -0.51 114.93 118.15 1jcl h MET 111 Ca 0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1jcl h MET 111 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1jcl h MET 111 CO -0.04 0.06 0.00 0.00 1.06 0.00 0.00 176.91 177.99 1jcl n ALA 112 N -2.43 2.66 -0.34 6.32 0.00 -0.58 -4.92 120.51 121.22 1jcl n ALA 112 Ca -0.03 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1jcl n ALA 112 Cb 0.14 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1jcl n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jcl n GLY 113 N 0.99 0.75 3.31 0.00 0.00 -0.20 -5.03 105.19 105.01 1jcl n GLY 113 Ca 0.15 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 1jcl n GLY 113 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jcl s ASN 114 N -2.51 6.24 0.21 1.61 3.84 -0.10 -4.86 114.94 119.36 1jcl s ASN 114 Ca 0.00 -1.87 0.13 0.00 0.21 0.00 0.00 52.86 51.34 1jcl s ASN 114 Cb 0.00 -2.21 -0.03 0.00 -0.55 0.00 0.00 41.25 38.46 1jcl s ASN 114 CO 0.00 -0.84 1.31 -0.33 -2.79 0.00 0.00 177.10 174.46 1jcl h GLU 115 N 8.79 0.00 -0.24 0.43 5.08 -1.87 -3.18 114.58 123.60 1jcl h GLU 115 Ca -0.26 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.90 1jcl h GLU 115 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1jcl h GLU 115 CO 1.01 0.59 -0.63 0.37 -1.00 0.00 0.00 179.01 179.35 1jcl h GLN 116 N 0.00 0.83 -0.38 2.33 5.75 -1.97 -3.00 115.11 118.67 1jcl h GLN 116 Ca -0.03 -0.57 -0.06 0.00 -0.15 0.00 0.00 58.65 57.83 1jcl h GLN 116 Cb 1.51 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 30.13 1jcl h GLN 116 CO 0.08 1.20 -0.02 -0.24 -2.65 0.00 0.00 178.83 177.20 1jcl h VAL 117 N 0.61 1.22 -0.60 2.39 3.04 -1.98 -0.86 116.25 120.06 1jcl h VAL 117 Ca -0.01 -0.88 -0.08 0.00 -1.01 0.00 0.00 66.70 64.72 1jcl h VAL 117 Cb 1.24 0.95 -0.02 0.00 -2.01 0.00 0.00 31.29 31.45 1jcl h VAL 117 CO 0.13 0.30 0.08 1.23 -1.01 0.00 0.00 177.57 178.31 1jcl h GLY 118 N 0.90 1.09 0.77 3.17 0.00 -1.76 0.55 103.07 107.77 1jcl h GLY 118 Ca 0.12 -0.74 0.02 0.00 0.00 0.00 0.00 47.33 46.73 1jcl h GLY 118 CO 0.02 0.68 -0.07 -2.75 0.00 0.00 0.00 176.54 174.41 1jcl h PHE 119 N 0.91 -0.19 -0.65 5.60 3.57 -1.29 -1.72 116.94 123.18 1jcl h PHE 119 Ca 0.18 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 1jcl h PHE 119 Cb 0.45 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1jcl h PHE 119 CO 0.03 -0.12 0.09 -0.44 -2.23 0.00 0.00 178.31 175.65 1jcl h ASP 120 N -0.12 1.03 0.05 0.41 3.32 -0.95 -0.19 116.42 119.98 1jcl h ASP 120 Ca 0.04 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 1jcl h ASP 120 Cb 0.17 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1jcl h ASP 120 CO -0.10 1.02 -0.03 0.25 -1.72 0.00 0.00 179.24 178.67 1jcl h LEU 121 N 1.00 -0.06 -0.56 1.55 6.46 -0.82 -1.20 115.31 121.68 1jcl h LEU 121 Ca 0.20 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 1jcl h LEU 121 Cb 0.44 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 1jcl h LEU 121 CO 0.01 0.18 0.29 0.58 -0.62 0.00 0.00 178.44 178.88 1jcl h VAL 122 N -0.31 1.20 -0.70 1.05 2.07 -1.22 -2.08 116.25 116.26 1jcl h VAL 122 Ca -0.01 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1jcl h VAL 122 Cb 0.27 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1jcl h VAL 122 CO 0.01 0.22 0.31 0.50 0.02 0.00 0.00 177.57 178.63 1jcl h LYS 123 N 0.76 1.02 -0.46 1.57 3.64 -0.94 0.15 116.57 122.31 1jcl h LYS 123 Ca 0.19 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1jcl h LYS 123 Cb 0.09 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1jcl h LYS 123 CO -0.03 0.82 0.23 0.00 -2.27 0.00 0.00 179.45 178.21 1jcl h ALA 124 N 1.15 0.59 -0.44 5.00 0.00 -1.02 -0.68 119.26 123.86 1jcl h ALA 124 Ca 0.24 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1jcl h ALA 124 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1jcl h ALA 124 CO -0.03 0.13 -0.16 0.00 0.00 0.00 0.00 179.25 179.20 1jcl h LYS 126 N 0.73 1.19 -0.70 0.00 1.63 -0.44 -1.12 116.57 117.87 1jcl h LYS 126 Ca 0.11 -0.24 -0.06 0.00 -0.85 0.00 0.00 60.65 59.62 1jcl h LYS 126 Cb 0.67 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 32.08 1jcl h LYS 126 CO 0.05 0.98 0.22 0.93 -3.45 0.00 0.00 179.45 178.18 1jcl h GLU 127 N 1.15 1.09 -0.34 1.90 5.08 -0.95 0.29 114.58 122.79 1jcl h GLU 127 Ca 0.26 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1jcl h GLU 127 Cb 0.26 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1jcl h GLU 127 CO -0.01 0.93 0.05 0.00 -1.00 0.00 0.00 179.01 178.98 1jcl h ALA 128 N 1.10 0.45 -0.26 3.43 0.00 -1.24 -2.56 119.26 120.19 1jcl h ALA 128 Ca 0.23 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1jcl h ALA 128 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1jcl h ALA 128 CO -0.01 0.16 0.05 0.00 0.00 0.00 0.00 179.25 179.46 1jcl h ALA 130 N 0.87 1.44 0.00 0.00 0.00 -0.42 -0.61 119.26 120.54 1jcl h ALA 130 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1jcl h ALA 130 Cb 0.30 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1jcl h ALA 130 CO 0.00 0.48 -0.14 0.00 0.00 0.00 0.00 179.25 179.60 1jcl h ALA 131 N 1.48 1.27 -0.40 0.00 0.00 -1.32 -2.27 119.26 118.02 1jcl h ALA 131 Ca 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jcl h ALA 131 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1jcl h ALA 131 CO -0.10 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1jcl n ALA 132 N -2.29 2.43 -3.77 0.00 0.00 -0.41 -4.96 120.51 111.51 1jcl n ALA 132 Ca -0.02 -0.98 -0.26 0.00 0.00 0.00 0.00 53.44 52.19 1jcl n ALA 132 Cb 0.26 -0.90 0.04 0.00 0.00 0.00 0.00 19.45 18.86 1jcl n ALA 132 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jcl n ASN 133 N 1.40 -4.35 -4.41 0.00 3.02 -0.74 -5.00 115.26 105.18 1jcl n ASN 133 Ca 0.20 -0.72 -0.33 0.00 -0.03 0.00 0.00 54.58 53.70 1jcl n ASN 133 Cb 0.58 -4.29 -0.14 0.00 -0.61 0.00 0.00 39.78 35.33 1jcl n ASN 133 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jcl s VAL 134 N -3.38 3.13 0.31 2.41 1.01 -0.37 -4.98 120.40 118.53 1jcl s VAL 134 Ca 0.48 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 61.55 1jcl s VAL 134 Cb -0.23 -2.29 -0.10 0.00 0.00 0.00 0.00 36.38 33.76 1jcl s VAL 134 CO 0.80 0.54 0.93 -0.76 0.00 0.00 0.00 175.10 176.61 1jcl s LEU 135 N 0.06 4.37 -0.23 3.92 1.43 -0.95 -3.90 118.68 123.39 1jcl s LEU 135 Ca -0.05 1.82 -0.04 0.00 -1.03 0.00 0.00 54.13 54.84 1jcl s LEU 135 Cb -0.14 -3.94 -0.00 0.00 0.03 0.00 0.00 46.19 42.13 1jcl s LEU 135 CO 0.04 -0.04 -0.03 -0.22 0.23 0.00 0.00 176.35 176.33 1jcl s LEU 136 N -1.95 2.99 -0.01 1.79 2.96 -1.26 -0.85 118.68 122.35 1jcl s LEU 136 Ca 0.49 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 1jcl s LEU 136 Cb -0.19 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1jcl s LEU 136 CO 0.24 -0.04 0.12 -0.54 -1.32 0.00 0.00 176.35 174.81 1jcl s LYS 137 N 1.47 3.22 -0.16 1.98 1.02 0.41 -0.63 119.74 127.05 1jcl s LYS 137 Ca 0.05 -0.40 0.01 0.00 0.02 0.00 0.00 55.97 55.65 1jcl s LYS 137 Cb -0.15 -2.96 0.02 0.00 -0.52 0.00 0.00 37.83 34.22 1jcl s LYS 137 CO -0.03 0.67 -0.19 0.08 -0.92 0.00 0.00 175.35 174.96 1jcl s VAL 138 N -1.23 1.92 -0.32 3.17 1.01 -0.28 -0.82 120.40 123.86 1jcl s VAL 138 Ca 0.24 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 1jcl s VAL 138 Cb -0.12 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 1jcl s VAL 138 CO 0.15 0.52 0.64 -0.63 0.00 0.00 0.00 175.10 175.77 1jcl s ILE 139 N 1.24 4.92 -0.71 2.22 1.01 0.28 -0.50 121.20 129.66 1jcl s ILE 139 Ca 0.02 0.80 0.23 0.00 0.00 0.00 0.00 60.65 61.70 1jcl s ILE 139 Cb -0.13 -4.02 -0.14 0.00 0.01 0.00 0.00 42.46 38.18 1jcl s ILE 139 CO -0.10 -0.19 1.02 2.30 0.00 0.00 0.00 174.94 177.97 1jcl n ILE 140 N 5.45 0.10 -2.87 2.92 -5.35 -0.71 -0.71 119.36 118.19 1jcl n ILE 140 Ca -0.01 -0.18 -0.09 0.00 -0.27 0.00 0.00 62.75 62.21 1jcl n ILE 140 Cb 0.49 0.36 0.04 0.00 -1.74 0.00 0.00 39.64 38.79 1jcl n ILE 140 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1jcl n GLU 141 N -1.83 -1.60 -0.16 6.28 4.07 -0.24 -4.75 120.64 122.42 1jcl n GLU 141 Ca 0.02 0.88 0.16 0.00 -0.06 0.00 0.00 57.16 58.16 1jcl n GLU 141 Cb 0.41 -4.99 0.51 0.00 -0.06 0.00 0.00 31.44 27.31 1jcl n GLU 141 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 1jcl h THR 142 N -0.52 0.79 0.00 6.31 1.35 -1.39 -1.18 112.91 118.28 1jcl h THR 142 Ca -0.35 -0.14 -0.01 0.00 -0.55 0.00 0.00 66.41 65.36 1jcl h THR 142 Cb 1.18 0.36 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1jcl h THR 142 CO 0.32 0.07 -0.06 1.23 -0.25 0.00 0.00 175.52 176.84 1jcl h GLY 143 N 0.39 0.00 0.51 5.82 0.00 -1.80 -0.45 103.07 107.54 1jcl h GLY 143 Ca 0.36 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.34 1jcl h GLY 143 CO -0.11 0.00 -2.07 1.18 0.00 0.00 0.00 176.54 175.54 1jcl n GLU 144 N -3.19 0.70 0.02 4.80 -0.58 -0.56 -4.34 120.64 117.50 1jcl n GLU 144 Ca 0.00 0.22 -0.12 0.00 -0.42 0.00 0.00 57.16 56.85 1jcl n GLU 144 Cb 0.33 -1.67 -0.07 0.00 -0.57 0.00 0.00 31.44 29.46 1jcl n GLU 144 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1jcl h LEU 145 N 0.03 0.05 0.00 -4.62 3.38 -1.15 -3.45 115.31 109.55 1jcl h LEU 145 Ca -0.44 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1jcl h LEU 145 Cb 2.02 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.76 1jcl h LEU 145 CO 0.05 0.07 0.00 0.29 0.09 0.00 0.00 178.44 178.94 1jcl n LYS 146 N -5.04 0.00 -2.33 1.13 5.02 -0.19 -4.88 118.16 111.87 1jcl n LYS 146 Ca -0.06 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.82 1jcl n LYS 146 Cb 0.05 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.02 1jcl n LYS 146 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1jcl s ASP 147 N 0.00 7.04 0.22 4.39 2.15 -1.26 -4.91 116.67 124.30 1jcl s ASP 147 Ca 0.00 2.34 -0.07 0.00 0.43 0.00 0.00 52.55 55.25 1jcl s ASP 147 Cb 0.00 -2.62 0.33 0.00 -0.30 0.00 0.00 42.92 40.33 1jcl s ASP 147 CO 0.00 -0.38 1.77 -0.08 -0.17 0.00 0.00 175.17 176.30 1jcl h GLU 148 N 4.74 0.53 -0.73 4.34 4.81 -1.98 -0.93 114.58 125.36 1jcl h GLU 148 Ca -0.46 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.70 1jcl h GLU 148 Cb 1.22 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 1jcl h GLU 148 CO 0.72 0.35 0.27 0.00 -0.73 0.00 0.00 179.01 179.62 1jcl h ALA 149 N 1.44 1.10 -0.22 2.92 0.00 -1.98 -0.37 119.26 122.14 1jcl h ALA 149 Ca 0.34 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1jcl h ALA 149 Cb 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1jcl h ALA 149 CO -0.29 0.63 -0.43 -0.07 0.00 0.00 0.00 179.25 179.09 1jcl h LEU 150 N 1.07 0.58 -0.57 0.00 3.38 -1.67 -0.37 115.31 117.72 1jcl h LEU 150 Ca 0.24 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1jcl h LEU 150 Cb 0.24 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1jcl h LEU 150 CO -0.02 0.94 0.32 0.40 0.09 0.00 0.00 178.44 180.17 1jcl h ILE 151 N 0.44 1.18 -0.61 1.22 2.04 -0.77 -0.00 117.51 121.01 1jcl h ILE 151 Ca 0.03 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 1jcl h ILE 151 Cb 0.94 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1jcl h ILE 151 CO 0.08 0.19 0.19 0.03 0.00 0.00 0.00 178.15 178.65 1jcl h ARG 152 N 0.77 0.94 -0.35 2.37 3.08 -0.89 -1.85 114.38 118.46 1jcl h ARG 152 Ca 0.20 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1jcl h ARG 152 Cb 0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1jcl h ARG 152 CO -0.03 0.84 0.07 -0.22 -1.07 0.00 0.00 179.97 179.56 1jcl h LYS 153 N 0.87 0.57 -0.59 0.04 1.63 -0.74 0.12 116.57 118.46 1jcl h LYS 153 Ca 0.20 -0.14 -0.05 0.00 -0.85 0.00 0.00 60.65 59.80 1jcl h LYS 153 Cb 0.29 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.82 1jcl h LYS 153 CO -0.01 0.63 0.14 0.00 -3.45 0.00 0.00 179.45 176.77 1jcl h ALA 154 N 0.92 1.15 -0.30 5.00 0.00 -0.95 0.15 119.26 125.22 1jcl h ALA 154 Ca 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1jcl h ALA 154 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1jcl h ALA 154 CO 0.00 0.58 0.16 0.77 0.00 0.00 0.00 179.25 180.76 1jcl h SER 155 N 0.87 0.38 -0.09 0.00 0.02 -1.06 -1.71 113.55 111.97 1jcl h SER 155 Ca 0.19 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1jcl h SER 155 Cb 0.31 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 1jcl h SER 155 CO -0.00 0.37 0.05 -0.08 -1.14 0.00 0.00 176.83 176.04 1jcl h GLU 156 N 0.37 0.13 -0.44 3.45 4.81 -0.54 -0.78 114.58 121.58 1jcl h GLU 156 Ca 0.11 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1jcl h GLU 156 Cb 0.08 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1jcl h GLU 156 CO -0.02 0.15 0.27 0.82 -0.73 0.00 0.00 179.01 179.50 1jcl h ILE 157 N 0.07 1.07 -0.64 2.32 2.04 -0.94 0.19 117.51 121.63 1jcl h ILE 157 Ca 0.03 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1jcl h ILE 157 Cb 0.06 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1jcl h ILE 157 CO -0.01 0.10 0.33 0.28 0.00 0.00 0.00 178.15 178.85 1jcl h SER 158 N 0.54 0.81 -0.25 1.72 0.02 -1.11 -0.53 113.55 114.75 1jcl h SER 158 Ca 0.17 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1jcl h SER 158 Cb -0.02 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1jcl h SER 158 CO -0.06 0.69 0.09 0.40 -1.14 0.00 0.00 176.83 176.81 1jcl h ILE 159 N 0.87 1.18 -0.26 3.27 2.04 -0.80 -0.95 117.51 122.87 1jcl h ILE 159 Ca 0.22 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1jcl h ILE 159 Cb 0.07 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1jcl h ILE 159 CO -0.03 0.18 0.10 0.11 0.00 0.00 0.00 178.15 178.51 1jcl h LYS 160 N 0.25 0.35 -0.00 2.37 1.57 -0.58 -1.98 116.57 118.56 1jcl h LYS 160 Ca 0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1jcl h LYS 160 Cb 0.20 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1jcl h LYS 160 CO -0.01 0.30 -0.04 0.00 -0.57 0.00 0.00 179.45 179.14 1jcl n ALA 161 N -2.49 2.56 0.00 3.86 0.00 -0.24 -4.92 120.51 119.28 1jcl n ALA 161 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1jcl n ALA 161 Cb 0.13 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1jcl n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jcl n GLY 162 N 1.31 1.37 3.70 0.00 0.00 -0.74 -3.80 105.19 107.03 1jcl n GLY 162 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1jcl n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcl n ALA 163 N -1.02 1.55 0.11 4.61 0.00 -0.39 -4.89 120.51 120.48 1jcl n ALA 163 Ca 0.00 0.39 0.09 0.00 0.00 0.00 0.00 53.44 53.92 1jcl n ALA 163 Cb 0.00 -2.32 0.02 0.00 0.00 0.00 0.00 19.45 17.14 1jcl n ALA 163 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1jcl h ASP 164 N 3.95 0.00 -5.00 0.00 3.32 -1.14 -3.44 116.42 114.11 1jcl h ASP 164 Ca -0.46 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.45 1jcl h ASP 164 Cb 1.26 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.61 1jcl h ASP 164 CO 0.73 0.12 -0.52 -0.36 -1.72 0.00 0.00 179.24 177.49 1jcl s PHE 165 N -3.25 0.10 -0.07 4.55 0.40 -1.07 -0.97 117.98 117.68 1jcl s PHE 165 Ca 0.01 -0.26 0.04 0.00 -0.60 0.00 0.00 56.93 56.12 1jcl s PHE 165 Cb 0.09 -0.08 -0.02 0.00 0.51 0.00 0.00 43.02 43.51 1jcl s PHE 165 CO 0.77 -0.29 -0.19 0.96 0.70 0.00 0.00 175.22 177.17 1jcl s ILE 166 N -1.65 2.56 -0.01 0.64 -4.36 -0.37 -1.12 121.20 116.89 1jcl s ILE 166 Ca -0.13 -0.88 0.07 0.00 -0.26 0.00 0.00 60.65 59.45 1jcl s ILE 166 Cb -0.07 -1.99 -0.02 0.00 1.25 0.00 0.00 42.46 41.64 1jcl s ILE 166 CO 0.00 0.57 -0.23 -0.75 0.24 0.00 0.00 174.94 174.77 1jcl s LYS 167 N -0.24 1.85 0.09 0.37 2.20 0.35 -1.52 119.74 122.83 1jcl s LYS 167 Ca -0.00 -0.83 -0.17 0.00 -0.36 0.00 0.00 55.97 54.60 1jcl s LYS 167 Cb -0.13 -1.80 -0.08 0.00 -1.51 0.00 0.00 37.83 34.31 1jcl s LYS 167 CO 0.03 0.49 1.49 1.79 -0.36 0.00 0.00 175.35 178.79 1jcl h THR 168 N 4.55 1.28 -3.15 3.43 1.35 -1.66 -1.90 112.91 116.81 1jcl h THR 168 Ca -0.41 -1.06 -0.03 0.00 -0.55 0.00 0.00 66.41 64.36 1jcl h THR 168 Cb 1.13 1.42 -0.12 0.00 -1.73 0.00 0.00 68.15 68.85 1jcl h THR 168 CO 0.47 0.33 0.10 -0.44 -0.25 0.00 0.00 175.52 175.74 1jcl s SER 169 N -6.10 -0.44 0.38 5.36 0.01 -1.26 -0.98 113.70 110.66 1jcl s SER 169 Ca -0.13 -0.13 0.23 0.00 1.31 0.00 0.00 55.95 57.22 1jcl s SER 169 Cb 0.08 0.55 0.25 0.00 0.21 0.00 0.00 66.02 67.11 1jcl s SER 169 CO 0.77 -0.93 1.46 0.71 0.41 0.00 0.00 173.24 175.66 1jcl h THR 170 N 2.14 0.02 0.00 1.44 1.35 -1.93 -3.44 112.91 112.49 1jcl h THR 170 Ca -0.34 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 1jcl h THR 170 Cb 1.29 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 1jcl h THR 170 CO 0.41 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 176.30 1jcl n GLY 171 N 1.12 0.77 0.15 5.82 0.00 -1.26 -4.90 105.19 106.90 1jcl n GLY 171 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 1jcl n GLY 171 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jcl n LYS 172 N -2.38 0.25 -4.65 1.61 4.76 -1.26 -4.92 118.16 111.57 1jcl n LYS 172 Ca 0.00 -0.92 -0.32 0.00 -2.87 0.00 0.00 58.31 54.21 1jcl n LYS 172 Cb 0.00 -1.07 -0.08 0.00 -1.84 0.00 0.00 35.03 32.05 1jcl n LYS 172 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1jcl s VAL 173 N -0.45 1.35 0.18 -0.18 -7.23 -1.26 -5.06 120.40 107.75 1jcl s VAL 173 Ca 0.05 -1.95 -0.07 0.00 -1.81 0.00 0.00 61.98 58.20 1jcl s VAL 173 Cb 0.03 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 1jcl s VAL 173 CO 0.04 0.00 1.52 0.00 -0.31 0.00 0.00 175.10 176.35 1jcl h ALA 174 N 1.36 0.68 -3.27 1.32 0.00 -1.94 -3.42 119.26 114.00 1jcl h ALA 174 Ca -0.43 -0.46 -0.67 0.00 0.00 0.00 0.00 54.91 53.35 1jcl h ALA 174 Cb 1.30 -0.11 -0.31 0.00 0.00 0.00 0.00 17.79 18.67 1jcl h ALA 174 CO 0.74 0.67 -0.84 0.08 0.00 0.00 0.00 179.25 179.90 1jcl s VAL 175 N -4.30 2.41 0.00 0.00 1.01 -1.26 -5.10 120.40 113.16 1jcl s VAL 175 Ca -0.09 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1jcl s VAL 175 Cb 0.12 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1jcl s VAL 175 CO 0.86 0.54 0.00 0.59 0.00 0.00 0.00 175.10 177.09 1jcl n ASN 176 N 3.76 0.00 -4.77 3.32 3.02 -1.26 -3.69 115.26 115.64 1jcl n ASN 176 Ca -0.19 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 53.96 1jcl n ASN 176 Cb 0.52 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.70 1jcl n ASN 176 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jcl s ALA 177 N -2.00 3.36 0.08 5.41 0.00 -0.94 -4.55 121.76 123.13 1jcl s ALA 177 Ca 0.00 1.48 0.02 0.00 0.00 0.00 0.00 51.96 53.46 1jcl s ALA 177 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 1jcl s ALA 177 CO 0.00 -1.10 -0.08 0.95 0.00 0.00 0.00 175.76 175.53 1jcl s THR 178 N -1.18 0.67 0.42 0.00 -4.23 -1.26 -4.93 115.64 105.13 1jcl s THR 178 Ca 0.57 -1.56 0.11 0.00 -1.18 0.00 0.00 61.69 59.64 1jcl s THR 178 Cb -0.44 -1.22 0.31 0.00 1.34 0.00 0.00 72.50 72.49 1jcl s THR 178 CO 0.58 -0.64 1.99 -0.65 -0.54 0.00 0.00 174.62 175.37 1jcl h PRO 179 N 3.65 0.47 -0.35 3.99 0.11 -1.98 -0.98 132.00 136.91 1jcl h PRO 179 Ca -0.36 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.65 1jcl h PRO 179 Cb 1.18 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1jcl h PRO 179 CO 0.54 0.31 -0.08 0.93 -0.21 0.00 0.00 178.00 179.48 1jcl h GLU 180 N 0.48 0.68 -0.44 1.05 3.07 -1.99 -1.06 114.58 116.37 1jcl h GLU 180 Ca 0.26 -0.26 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 1jcl h GLU 180 Cb 0.38 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 1jcl h GLU 180 CO -0.07 0.84 -0.13 0.77 -1.40 0.00 0.00 179.01 179.01 1jcl h SER 181 N 0.47 0.81 -0.42 1.42 0.02 -1.86 -1.77 113.55 112.21 1jcl h SER 181 Ca 0.09 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1jcl h SER 181 Cb 0.59 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1jcl h SER 181 CO 0.03 0.96 0.23 0.00 -1.14 0.00 0.00 176.83 176.92 1jcl h ALA 182 N 1.12 0.54 -0.46 3.77 0.00 -1.10 -1.83 119.26 121.30 1jcl h ALA 182 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jcl h ALA 182 Cb 0.63 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1jcl h ALA 182 CO 0.04 0.06 0.29 -0.09 0.00 0.00 0.00 179.25 179.55 1jcl h ARG 183 N 0.55 0.62 -0.30 0.00 2.43 -0.98 -0.88 114.38 115.81 1jcl h ARG 183 Ca 0.15 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1jcl h ARG 183 Cb 0.05 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 1jcl h ARG 183 CO -0.02 0.44 0.09 0.82 -1.51 0.00 0.00 179.97 179.78 1jcl h ILE 184 N 0.62 0.89 -0.49 1.20 2.04 -1.08 0.38 117.51 121.06 1jcl h ILE 184 Ca 0.17 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 1jcl h ILE 184 Cb -0.03 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1jcl h ILE 184 CO -0.03 0.04 0.09 0.24 0.00 0.00 0.00 178.15 178.49 1jcl h MET 185 N 0.21 0.81 -0.19 2.37 2.86 -1.11 -1.78 114.93 118.10 1jcl h MET 185 Ca 0.14 -0.21 -0.10 0.00 -2.06 0.00 0.00 59.70 57.47 1jcl h MET 185 Cb 0.12 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1jcl h MET 185 CO -0.16 0.80 -0.33 0.52 1.06 0.00 0.00 176.91 178.80 1jcl h MET 186 N 0.69 0.39 -0.55 1.72 2.86 -0.97 -2.16 114.93 116.91 1jcl h MET 186 Ca 0.15 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1jcl h MET 186 Cb 0.37 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 1jcl h MET 186 CO 0.01 0.67 0.26 0.93 1.06 0.00 0.00 176.91 179.85 1jcl h GLU 187 N 0.34 0.78 -0.20 1.72 5.08 -0.58 -0.64 114.58 121.07 1jcl h GLU 187 Ca 0.04 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1jcl h GLU 187 Cb 0.74 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1jcl h GLU 187 CO 0.06 0.60 0.12 0.28 -1.00 0.00 0.00 179.01 179.07 1jcl h VAL 188 N 0.78 1.08 -0.49 3.13 2.07 -0.73 0.16 116.25 122.25 1jcl h VAL 188 Ca 0.19 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1jcl h VAL 188 Cb 0.08 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 1jcl h VAL 188 CO -0.03 0.08 0.15 0.40 0.02 0.00 0.00 177.57 178.20 1jcl h ILE 189 N 0.25 0.80 -0.20 4.57 2.04 -0.97 -0.83 117.51 123.17 1jcl h ILE 189 Ca 0.07 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1jcl h ILE 189 Cb 0.02 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1jcl h ILE 189 CO -0.01 0.06 0.05 -0.09 0.00 0.00 0.00 178.15 178.15 1jcl h ARG 190 N 0.31 0.33 -0.22 2.37 2.43 -0.89 -2.22 114.38 116.49 1jcl h ARG 190 Ca 0.24 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 1jcl h ARG 190 Cb 0.27 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1jcl h ARG 190 CO -0.26 0.45 -0.16 -0.44 -1.51 0.00 0.00 179.97 178.05 1jcl h ASP 191 N 0.14 0.35 0.85 -3.80 3.32 -0.40 -1.07 116.42 115.80 1jcl h ASP 191 Ca 0.06 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1jcl h ASP 191 Cb 0.27 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1jcl h ASP 191 CO 0.00 0.54 -0.03 0.23 -1.72 0.00 0.00 179.24 178.25 1jcl n MET 192 N -4.21 0.13 -1.88 3.56 2.81 -0.34 -4.94 117.12 112.25 1jcl n MET 192 Ca -0.00 -0.01 -0.08 0.00 -1.81 0.00 0.00 57.70 55.80 1jcl n MET 192 Cb 0.32 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.32 1jcl n MET 192 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jcl n GLY 193 N 1.44 0.33 0.75 3.03 0.00 -0.41 -4.95 105.19 105.39 1jcl n GLY 193 Ca 0.09 -0.59 0.06 0.00 0.00 0.00 0.00 46.02 45.58 1jcl n GLY 193 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jcl n VAL 194 N -3.64 2.26 0.29 1.61 0.24 -0.88 -4.70 118.33 113.51 1jcl n VAL 194 Ca -0.09 -2.23 0.19 0.00 -2.04 0.00 0.00 64.34 60.17 1jcl n VAL 194 Cb 0.48 -0.27 0.85 0.00 -1.47 0.00 0.00 33.84 33.43 1jcl n VAL 194 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1jcl h GLU 195 N 1.17 0.00 0.00 7.34 9.09 -1.82 -0.78 114.58 129.58 1jcl h GLU 195 Ca 0.05 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.37 1jcl h GLU 195 Cb 1.37 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.46 1jcl h GLU 195 CO 0.20 0.01 -0.44 0.87 0.05 0.00 0.00 179.01 179.71 1jcl h LYS 196 N 0.00 0.00 -0.01 1.06 1.57 -1.95 -3.35 116.57 113.89 1jcl h LYS 196 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jcl h LYS 196 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1jcl h LYS 196 CO 0.00 0.44 -0.21 0.25 -0.57 0.00 0.00 179.45 179.36 1jcl n THR 197 N -3.39 0.00 -3.95 -0.16 -2.24 -0.55 -4.97 114.28 99.03 1jcl n THR 197 Ca 0.01 -0.39 -0.25 0.00 -2.27 0.00 0.00 64.05 61.14 1jcl n THR 197 Cb 0.61 1.09 -0.17 0.00 -2.10 0.00 0.00 70.33 69.76 1jcl n THR 197 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1jcl s VAL 198 N -1.33 0.85 0.62 2.28 1.01 -0.41 -4.65 120.40 118.77 1jcl s VAL 198 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1jcl s VAL 198 Cb 0.07 -0.89 0.07 0.00 0.00 0.00 0.00 36.38 35.63 1jcl s VAL 198 CO 0.24 0.33 0.87 -0.83 0.00 0.00 0.00 175.10 175.71 1jcl s GLY 199 N 1.62 1.79 0.01 4.51 0.00 -0.14 -4.62 107.32 110.50 1jcl s GLY 199 Ca 0.02 -1.48 0.06 0.00 0.00 0.00 0.00 44.72 43.33 1jcl s GLY 199 CO -0.06 -1.08 -0.20 -0.12 0.00 0.00 0.00 173.10 171.64 1jcl s PHE 200 N -2.92 1.74 -0.27 1.90 5.36 -0.26 -1.23 117.98 122.30 1jcl s PHE 200 Ca 0.61 -0.35 -0.03 0.00 -0.96 0.00 0.00 56.93 56.20 1jcl s PHE 200 Cb -0.08 -1.09 0.09 0.00 -0.34 0.00 0.00 43.02 41.60 1jcl s PHE 200 CO 0.41 0.02 0.10 0.21 -1.46 0.00 0.00 175.22 174.50 1jcl s LYS 201 N -0.76 0.38 0.35 10.12 2.20 -0.57 -2.14 119.74 129.32 1jcl s LYS 201 Ca 0.07 -0.60 -0.26 0.00 -0.36 0.00 0.00 55.97 54.82 1jcl s LYS 201 Cb -0.08 -1.61 -0.09 0.00 -1.51 0.00 0.00 37.83 34.54 1jcl s LYS 201 CO 0.00 -0.91 1.07 -1.25 -0.36 0.00 0.00 175.35 173.90 1jcl s PRO 202 N 1.94 4.35 -0.10 4.03 0.04 -1.23 -1.84 135.00 142.20 1jcl s PRO 202 Ca 0.07 1.64 -0.20 0.00 0.04 0.00 0.00 61.00 62.55 1jcl s PRO 202 Cb -0.16 -2.81 0.05 0.00 0.04 0.00 0.00 34.50 31.61 1jcl s PRO 202 CO -0.26 -0.00 0.48 0.00 0.04 0.00 0.00 177.00 177.26 1jcl s ALA 203 N -1.44 -1.22 0.00 8.56 0.00 -1.26 -1.26 121.76 125.14 1jcl s ALA 203 Ca 0.52 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.53 1jcl s ALA 203 Cb -0.26 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1jcl s ALA 203 CO 0.33 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.23 1jcl n GLY 204 N 1.87 -0.93 2.50 0.00 0.00 -1.21 -2.21 105.19 105.21 1jcl n GLY 204 Ca -0.17 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1jcl n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcl n GLY 205 N 1.61 0.59 3.53 -0.02 0.00 -1.26 -2.50 105.19 107.15 1jcl n GLY 205 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1jcl n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jcl s VAL 206 N -2.50 4.29 0.00 1.61 1.01 -1.26 -4.83 120.40 118.72 1jcl s VAL 206 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1jcl s VAL 206 Cb 0.00 -4.59 0.00 0.00 0.00 0.00 0.00 36.38 31.79 1jcl s VAL 206 CO 0.00 -1.18 0.00 0.54 0.00 0.00 0.00 175.10 174.46 1jcl n ARG 207 N 7.71 2.04 -4.41 2.72 1.74 -1.26 -4.13 116.66 121.06 1jcl n ARG 207 Ca 0.03 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.87 1jcl n ARG 207 Cb 0.48 -0.93 -0.09 0.00 -1.02 0.00 0.00 32.46 30.90 1jcl n ARG 207 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1jcl s THR 208 N -1.78 2.76 0.27 0.55 -4.23 -1.26 -4.26 115.64 107.69 1jcl s THR 208 Ca 0.00 -2.21 -0.01 0.00 -1.18 0.00 0.00 61.69 58.30 1jcl s THR 208 Cb 0.00 -2.44 0.25 0.00 1.34 0.00 0.00 72.50 71.65 1jcl s THR 208 CO 0.00 -0.35 1.80 0.00 -0.54 0.00 0.00 174.62 175.53 1jcl h ALA 209 N 2.29 1.36 -0.38 3.99 0.00 -1.86 -1.39 119.26 123.26 1jcl h ALA 209 Ca -0.42 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1jcl h ALA 209 Cb 1.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1jcl h ALA 209 CO 0.59 0.06 -0.04 0.93 0.00 0.00 0.00 179.25 180.79 1jcl h GLU 210 N 0.80 0.62 -0.06 0.00 3.07 -1.96 -0.94 114.58 116.10 1jcl h GLU 210 Ca 0.47 -0.16 0.01 0.00 -0.50 0.00 0.00 59.36 59.17 1jcl h GLU 210 Cb 0.55 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 1jcl h GLU 210 CO -0.30 0.67 0.01 -0.44 -1.40 0.00 0.00 179.01 177.55 1jcl h ASP 211 N 0.58 0.01 -0.97 1.42 3.32 -1.68 -2.50 116.42 116.59 1jcl h ASP 211 Ca 0.12 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.21 1jcl h ASP 211 Cb 0.42 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.93 1jcl h ASP 211 CO 0.02 0.02 0.63 0.00 -1.72 0.00 0.00 179.24 178.19 1jcl h ALA 212 N 1.04 1.28 -0.83 3.45 0.00 -1.01 -2.10 119.26 121.10 1jcl h ALA 212 Ca 0.03 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1jcl h ALA 212 Cb 0.02 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.41 1jcl h ALA 212 CO -0.04 0.52 0.52 0.37 0.00 0.00 0.00 179.25 180.63 1jcl h GLN 213 N 1.23 0.97 -0.65 0.00 4.15 -0.98 -1.79 115.11 118.03 1jcl h GLN 213 Ca 0.39 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.69 1jcl h GLN 213 Cb -0.01 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.44 1jcl h GLN 213 CO -0.12 0.64 0.18 0.87 -1.93 0.00 0.00 178.83 178.47 1jcl h LYS 214 N 0.99 1.03 -0.38 1.69 1.57 -0.94 -0.67 116.57 119.86 1jcl h LYS 214 Ca 0.34 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1jcl h LYS 214 Cb 0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1jcl h LYS 214 CO -0.14 0.91 -0.10 1.88 -0.57 0.00 0.00 179.45 181.43 1jcl h TYR 215 N 0.95 0.84 -0.33 -1.35 -1.99 -1.18 -2.61 116.97 111.30 1jcl h TYR 215 Ca 0.21 -0.19 -0.06 0.00 2.00 0.00 0.00 58.73 60.69 1jcl h TYR 215 Cb 0.33 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.84 1jcl h TYR 215 CO 0.02 0.89 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.94 1jcl h LEU 216 N 0.55 0.52 -1.13 3.88 3.38 -1.23 -2.80 115.31 118.47 1jcl h LEU 216 Ca 0.10 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jcl h LEU 216 Cb 0.63 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1jcl h LEU 216 CO 0.04 0.63 0.58 0.00 0.09 0.00 0.00 178.44 179.78 1jcl h ALA 217 N 1.43 1.36 -0.33 1.53 0.00 -0.86 0.06 119.26 122.46 1jcl h ALA 217 Ca 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1jcl h ALA 217 Cb 0.43 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1jcl h ALA 217 CO 0.02 0.59 0.11 0.82 0.00 0.00 0.00 179.25 180.79 1jcl h ILE 218 N 1.20 1.20 -0.36 0.00 2.04 -1.22 -1.16 117.51 119.20 1jcl h ILE 218 Ca 0.32 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.57 1jcl h ILE 218 Cb -0.13 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1jcl h ILE 218 CO -0.07 0.22 0.19 0.00 0.00 0.00 0.00 178.15 178.49 1jcl h ALA 219 N 0.95 0.44 -0.57 1.87 0.00 -1.21 -1.07 119.26 119.67 1jcl h ALA 219 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1jcl h ALA 219 Cb 0.23 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1jcl h ALA 219 CO -0.00 -0.17 0.16 -0.44 0.00 0.00 0.00 179.25 178.79 1jcl h ASP 220 N 0.39 0.80 -0.25 0.00 3.32 -0.83 -0.60 116.42 119.25 1jcl h ASP 220 Ca 0.15 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1jcl h ASP 220 Cb 0.04 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1jcl h ASP 220 CO -0.09 0.77 0.06 -0.08 -1.72 0.00 0.00 179.24 178.18 1jcl h GLU 221 N 0.83 0.41 0.07 3.56 4.81 -0.88 0.20 114.58 123.59 1jcl h GLU 221 Ca 0.19 -0.10 -0.25 0.00 -0.13 0.00 0.00 59.36 59.06 1jcl h GLU 221 Cb 0.27 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.60 1jcl h GLU 221 CO -0.01 0.51 -1.10 -0.07 -0.73 0.00 0.00 179.01 177.61 1jcl h LEU 222 N 0.24 0.51 -0.37 1.64 3.38 -0.88 -3.39 115.31 116.43 1jcl h LEU 222 Ca 0.08 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1jcl h LEU 222 Cb 0.28 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1jcl h LEU 222 CO 0.00 1.31 0.00 0.49 0.09 0.00 0.00 178.44 180.33 1jcl n PHE 223 N -3.65 0.00 0.00 1.13 3.01 -0.26 -5.07 117.46 112.62 1jcl n PHE 223 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1jcl n PHE 223 Cb 0.93 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.40 1jcl n PHE 223 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jcl n GLY 224 N 0.46 0.55 0.23 1.37 0.00 0.06 -4.50 105.19 103.36 1jcl n GLY 224 Ca 0.00 -1.63 0.16 0.00 0.00 0.00 0.00 46.02 44.55 1jcl n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcl h ALA 225 N 0.00 1.00 -0.00 4.61 0.00 -1.87 -2.27 119.26 120.72 1jcl h ALA 225 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jcl h ALA 225 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jcl h ALA 225 CO 0.00 0.00 -0.25 -0.25 0.00 0.00 0.00 179.25 178.75 1jcl n ASP 226 N -2.70 0.64 -0.10 0.00 8.00 -1.26 -4.40 116.55 116.73 1jcl n ASP 226 Ca -0.00 -0.51 -0.13 0.00 0.71 0.00 0.00 54.79 54.85 1jcl n ASP 226 Cb 0.18 0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.29 1jcl n ASP 226 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1jcl h TRP 227 N 0.61 0.86 -0.29 1.24 7.01 -1.63 -3.38 115.95 120.36 1jcl h TRP 227 Ca 0.00 -0.25 -0.65 0.00 2.11 0.00 0.00 58.89 60.10 1jcl h TRP 227 Cb 0.46 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.30 1jcl h TRP 227 CO 0.00 1.00 2.51 0.00 -2.79 0.00 0.00 178.44 179.16 1jcl n ALA 228 N -2.49 4.19 -2.03 2.65 0.00 -1.26 -4.66 120.51 116.91 1jcl n ALA 228 Ca -0.04 -3.68 -0.20 0.00 0.00 0.00 0.00 53.44 49.52 1jcl n ALA 228 Cb 0.46 -3.57 0.07 0.00 0.00 0.00 0.00 19.45 16.41 1jcl n ALA 228 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1jcl s ASP 229 N 4.16 4.98 0.50 0.00 1.47 -1.26 -4.75 116.67 121.77 1jcl s ASP 229 Ca 0.53 -0.75 0.24 0.00 1.18 0.00 0.00 52.55 53.76 1jcl s ASP 229 Cb 0.10 0.21 1.33 0.00 -0.34 0.00 0.00 42.92 44.22 1jcl s ASP 229 CO 0.02 -1.42 2.04 0.00 0.68 0.00 0.00 175.17 176.49 1jcl h ALA 230 N 0.07 1.35 0.00 2.11 0.00 -1.91 0.32 119.26 121.19 1jcl h ALA 230 Ca -0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1jcl h ALA 230 Cb 1.28 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1jcl h ALA 230 CO 0.41 0.18 -0.08 -0.09 0.00 0.00 0.00 179.25 179.67 1jcl h ARG 231 N 0.00 0.00 -0.00 0.00 9.65 -1.94 -3.35 114.38 118.73 1jcl h ARG 231 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1jcl h ARG 231 Cb 0.36 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 1jcl h ARG 231 CO 0.02 0.08 -0.10 0.72 2.80 0.00 0.00 179.97 183.48 1jcl n HIS 232 N -3.16 0.00 -3.67 2.20 8.25 -0.09 -4.32 115.22 114.43 1jcl n HIS 232 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.38 1jcl n HIS 232 Cb 0.43 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.46 1jcl n HIS 232 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1jcl s TYR 233 N -0.91 -0.81 0.02 4.41 5.04 -0.09 -1.10 117.35 123.91 1jcl s TYR 233 Ca 0.04 1.71 -0.02 0.00 -2.44 0.00 0.00 57.07 56.37 1jcl s TYR 233 Cb 0.04 0.41 -0.02 0.00 0.35 0.00 0.00 41.96 42.74 1jcl s TYR 233 CO 0.12 -0.41 0.00 1.03 -1.34 0.00 0.00 175.55 174.96 1jcl s ARG 234 N 1.22 0.39 -0.26 4.97 1.81 -0.91 -4.38 118.95 121.79 1jcl s ARG 234 Ca -0.07 -0.66 -0.10 0.00 -1.72 0.00 0.00 55.73 53.18 1jcl s ARG 234 Cb -0.06 0.14 -0.05 0.00 -0.45 0.00 0.00 34.95 34.54 1jcl s ARG 234 CO -0.12 -0.07 0.17 -0.06 -0.68 0.00 0.00 175.30 174.53 1jcl s PHE 235 N -1.80 3.25 -0.45 -0.53 0.40 -0.48 -3.48 117.98 114.89 1jcl s PHE 235 Ca -0.13 0.13 -0.23 0.00 -0.60 0.00 0.00 56.93 56.10 1jcl s PHE 235 Cb -0.07 -2.32 0.03 0.00 0.51 0.00 0.00 43.02 41.17 1jcl s PHE 235 CO -0.02 -0.07 0.79 0.20 0.70 0.00 0.00 175.22 176.82 1jcl s GLY 236 N 1.43 1.59 -0.21 4.36 0.00 -0.39 -0.45 107.32 113.65 1jcl s GLY 236 Ca 0.07 -1.01 -0.11 0.00 0.00 0.00 0.00 44.72 43.67 1jcl s GLY 236 CO 0.08 1.80 0.51 0.00 0.00 0.00 0.00 173.10 175.48 1jcl s ALA 237 N 3.32 -1.35 -0.17 3.20 0.00 -1.15 -3.33 121.76 122.29 1jcl s ALA 237 Ca 0.30 1.84 0.20 0.00 0.00 0.00 0.00 51.96 54.30 1jcl s ALA 237 Cb -0.12 -1.13 -0.10 0.00 0.00 0.00 0.00 23.12 21.76 1jcl s ALA 237 CO 0.23 -0.35 0.86 -1.13 0.00 0.00 0.00 175.76 175.37 1jcl n SER 238 N 4.38 0.72 -2.76 0.00 3.41 -1.26 -1.23 113.62 116.88 1jcl n SER 238 Ca -0.21 0.29 -0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1jcl n SER 238 Cb 0.56 0.56 0.05 0.00 -0.26 0.00 0.00 64.21 65.12 1jcl n SER 238 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1jcl n SER 239 N -2.70 1.21 -0.03 4.04 7.64 -1.26 -4.81 113.62 117.71 1jcl n SER 239 Ca -0.05 -2.31 -0.04 0.00 1.01 0.00 0.00 58.87 57.48 1jcl n SER 239 Cb 0.68 -0.37 -0.05 0.00 -1.01 0.00 0.00 64.21 63.46 1jcl n SER 239 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1jcl n LEU 240 N -0.45 0.78 -0.30 -3.43 7.94 -1.26 -4.60 117.00 115.69 1jcl n LEU 240 Ca 0.06 -0.01 -0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1jcl n LEU 240 Cb 0.81 0.04 0.13 0.00 0.53 0.00 0.00 43.42 44.93 1jcl n LEU 240 CO 0.13 0.29 1.18 0.25 -1.11 0.00 0.00 177.39 178.12 1jcl h LEU 241 N 0.00 0.80 -1.09 -1.96 5.85 -1.88 -1.60 115.31 115.43 1jcl h LEU 241 Ca -0.18 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1jcl h LEU 241 Cb 1.37 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 1jcl h LEU 241 CO -0.00 0.52 0.29 0.00 -0.34 0.00 0.00 178.44 178.91 1jcl h ALA 242 N 1.38 1.29 -0.50 1.25 0.00 -1.93 -0.11 119.26 120.64 1jcl h ALA 242 Ca 0.35 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1jcl h ALA 242 Cb 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1jcl h ALA 242 CO -0.16 0.54 -0.02 1.03 0.00 0.00 0.00 179.25 180.64 1jcl h SER 243 N 0.92 0.88 -0.39 0.00 0.87 -1.59 -0.62 113.55 113.62 1jcl h SER 243 Ca 0.22 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 1jcl h SER 243 Cb 0.13 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 1jcl h SER 243 CO -0.03 0.98 0.17 -0.07 -0.53 0.00 0.00 176.83 177.36 1jcl h LEU 244 N 0.75 0.53 -0.93 2.23 3.38 -0.79 -1.25 115.31 119.23 1jcl h LEU 244 Ca 0.14 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1jcl h LEU 244 Cb 0.55 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1jcl h LEU 244 CO 0.03 0.53 0.04 -0.07 0.09 0.00 0.00 178.44 179.06 1jcl h LEU 245 N 0.49 0.78 -0.54 1.67 3.38 -0.86 -1.95 115.31 118.28 1jcl h LEU 245 Ca 0.13 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1jcl h LEU 245 Cb 0.15 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1jcl h LEU 245 CO -0.01 0.83 0.20 0.50 0.09 0.00 0.00 178.44 180.04 1jcl h LYS 246 N 0.77 0.82 -0.00 1.13 3.64 -0.94 0.12 116.57 122.11 1jcl h LYS 246 Ca 0.16 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jcl h LYS 246 Cb 0.41 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1jcl h LYS 246 CO 0.01 0.72 0.00 0.00 -2.27 0.00 0.00 179.45 177.92 1jcl h ALA 247 N 1.05 1.98 -0.01 5.00 0.00 -0.75 -1.85 119.26 124.68 1jcl h ALA 247 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1jcl h ALA 247 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1jcl h ALA 247 CO -0.01 -0.00 -0.17 1.28 0.00 0.00 0.00 179.25 180.34 1jcl n LEU 248 N -4.51 1.08 0.00 0.00 4.77 -0.78 -4.77 117.00 112.80 1jcl n LEU 248 Ca -0.03 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1jcl n LEU 248 Cb 0.09 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1jcl n LEU 248 CO 0.34 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1jcl n GLY 249 N 1.29 0.88 0.00 -0.72 0.00 -0.69 -5.08 105.19 100.86 1jcl n GLY 249 Ca 0.14 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1jcl n GLY 249 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74