#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj2 s GLN 2 N 0.00 3.48 -0.21 2.12 1.11 -1.26 -0.77 119.66 124.14 1jj2 s GLN 2 Ca 0.00 -0.32 0.01 0.00 0.01 0.00 0.00 55.36 55.06 1jj2 s GLN 2 Cb 0.00 -3.03 0.05 0.00 -1.01 0.00 0.00 33.01 29.02 1jj2 s GLN 2 CO 0.00 0.61 -0.08 0.00 0.01 0.00 0.00 175.29 175.83 1jj2 s ALA 3 N -1.47 1.92 -0.50 6.09 0.00 0.21 -4.67 121.76 123.34 1jj2 s ALA 3 Ca 0.33 -1.22 -0.28 0.00 0.00 0.00 0.00 51.96 50.79 1jj2 s ALA 3 Cb -0.13 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.68 1jj2 s ALA 3 CO 0.24 -0.97 1.42 0.99 0.00 0.00 0.00 175.76 177.45 1jj2 s THR 4 N 1.43 3.83 0.24 0.00 2.01 -1.26 -1.05 115.64 120.83 1jj2 s THR 4 Ca -0.03 0.77 -0.30 0.00 0.31 0.00 0.00 61.69 62.44 1jj2 s THR 4 Cb -0.17 -4.33 -0.09 0.00 0.01 0.00 0.00 72.50 67.92 1jj2 s THR 4 CO -0.07 -0.99 1.09 -0.63 -0.69 0.00 0.00 174.62 173.33 1jj2 s ILE 5 N 5.87 3.65 0.09 1.82 1.01 -1.08 -4.34 121.20 128.22 1jj2 s ILE 5 Ca 0.56 1.57 0.09 0.00 0.00 0.00 0.00 60.65 62.87 1jj2 s ILE 5 Cb -0.12 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1jj2 s ILE 5 CO 0.28 0.34 -0.21 -0.31 0.00 0.00 0.00 174.94 175.04 1jj2 s TYR 6 N -0.83 2.47 0.57 3.97 1.51 -0.86 -1.04 117.35 123.14 1jj2 s TYR 6 Ca 0.46 -0.30 0.04 0.00 -1.01 0.00 0.00 57.07 56.25 1jj2 s TYR 6 Cb -0.31 -1.37 0.06 0.00 -0.11 0.00 0.00 41.96 40.23 1jj2 s TYR 6 CO 0.38 0.30 0.79 0.16 -1.11 0.00 0.00 175.55 176.07 1jj2 s ASP 7 N -1.79 5.10 0.00 2.29 -4.77 -0.95 -0.81 116.67 115.73 1jj2 s ASP 7 Ca 0.15 -0.32 0.04 0.00 -3.30 0.00 0.00 52.55 49.13 1jj2 s ASP 7 Cb -0.10 -0.43 0.23 0.00 -1.09 0.00 0.00 42.92 41.53 1jj2 s ASP 7 CO 0.07 -1.27 0.59 0.18 0.70 0.00 0.00 175.17 175.43 1jj2 n LEU 8 N -2.35 0.00 -0.03 2.11 4.77 -1.26 -0.36 117.00 119.88 1jj2 n LEU 8 Ca 0.11 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.15 1jj2 n LEU 8 Cb 0.60 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.63 1jj2 n LEU 8 CO 0.42 0.00 -0.00 0.47 -1.33 0.00 0.00 177.39 176.95 1jj2 n ASP 9 N -0.79 0.69 0.00 -1.43 8.00 -1.26 -4.76 116.55 117.00 1jj2 n ASP 9 Ca 0.03 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.68 1jj2 n ASP 9 Cb 0.01 0.95 0.00 0.00 -0.02 0.00 0.00 41.12 42.06 1jj2 n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jj2 n GLY 10 N 1.28 0.74 3.85 0.44 0.00 0.52 -4.92 105.19 107.09 1jj2 n GLY 10 Ca 0.03 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 1jj2 n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jj2 s ASN 11 N -2.12 6.52 0.48 1.61 0.01 -1.26 -4.84 114.94 115.35 1jj2 s ASN 11 Ca 0.00 0.62 -0.22 0.00 -0.71 0.00 0.00 52.86 52.55 1jj2 s ASN 11 Cb 0.00 -2.13 -0.09 0.00 0.41 0.00 0.00 41.25 39.43 1jj2 s ASN 11 CO 0.00 0.35 0.87 0.35 -1.51 0.00 0.00 177.10 177.17 1jj2 n THR 12 N 2.09 2.63 -2.93 1.60 -2.24 -1.26 -2.25 114.28 111.92 1jj2 n THR 12 Ca -0.17 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 60.97 1jj2 n THR 12 Cb 0.54 -1.01 0.03 0.00 -2.10 0.00 0.00 70.33 67.78 1jj2 n THR 12 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1jj2 n ASP 13 N 0.30 -1.12 0.00 3.42 -0.08 -0.21 -4.81 116.55 114.05 1jj2 n ASP 13 Ca 0.11 -3.32 0.00 0.00 -1.51 0.00 0.00 54.79 50.07 1jj2 n ASP 13 Cb 0.42 0.82 0.00 0.00 2.34 0.00 0.00 41.12 44.70 1jj2 n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jj2 n GLY 14 N 0.62 -1.78 3.59 0.27 0.00 -1.26 -4.69 105.19 101.93 1jj2 n GLY 14 Ca 0.14 -1.63 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 1jj2 n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jj2 s GLU 15 N 0.00 0.59 0.40 1.61 -1.05 -1.26 -2.62 118.70 116.37 1jj2 s GLU 15 Ca 0.00 0.23 0.08 0.00 -0.15 0.00 0.00 54.97 55.13 1jj2 s GLU 15 Cb 0.00 0.28 -0.06 0.00 -0.44 0.00 0.00 34.13 33.91 1jj2 s GLU 15 CO 0.00 -0.17 0.07 0.08 0.95 0.00 0.00 175.26 176.19 1jj2 s VAL 16 N -0.86 2.22 -0.08 1.83 1.01 -0.22 -4.88 120.40 119.42 1jj2 s VAL 16 Ca -0.01 -1.89 -0.29 0.00 0.00 0.00 0.00 61.98 59.79 1jj2 s VAL 16 Cb -0.01 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 1jj2 s VAL 16 CO 0.00 -0.04 0.95 -1.81 0.00 0.00 0.00 175.10 174.21 1jj2 s ASP 17 N -3.78 7.22 -0.20 3.32 1.01 -1.26 0.68 116.67 123.67 1jj2 s ASP 17 Ca 0.37 1.49 -0.29 0.00 0.71 0.00 0.00 52.55 54.83 1jj2 s ASP 17 Cb 0.06 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 1jj2 s ASP 17 CO 0.20 -0.37 1.56 -0.22 0.21 0.00 0.00 175.17 176.56 1jj2 s LEU 18 N 1.67 3.98 0.81 1.23 2.96 0.05 -4.85 118.68 124.54 1jj2 s LEU 18 Ca 0.47 1.68 -0.15 0.00 -0.22 0.00 0.00 54.13 55.92 1jj2 s LEU 18 Cb -0.19 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 1jj2 s LEU 18 CO 0.20 -1.15 0.52 -0.81 -1.32 0.00 0.00 176.35 173.79 1jj2 n PRO 19 N 7.46 0.10 -0.23 0.98 -0.04 -1.26 -4.08 135.00 137.92 1jj2 n PRO 19 Ca 0.18 0.08 0.02 0.00 -0.04 0.00 0.00 63.50 63.74 1jj2 n PRO 19 Cb 0.45 -1.87 0.14 0.00 -0.04 0.00 0.00 33.50 32.18 1jj2 n PRO 19 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1jj2 h ASP 20 N -0.81 0.25 -1.37 3.54 3.32 -1.92 -2.72 116.42 116.71 1jj2 h ASP 20 Ca -0.45 0.09 0.40 0.00 0.02 0.00 0.00 57.03 57.09 1jj2 h ASP 20 Cb 1.32 0.07 -0.07 0.00 0.22 0.00 0.00 39.33 40.88 1jj2 h ASP 20 CO 0.40 0.12 0.97 -0.37 -1.72 0.00 0.00 179.24 178.64 1jj2 h VAL 21 N 0.43 0.30 0.00 -1.35 -1.51 -1.91 0.91 116.25 113.12 1jj2 h VAL 21 Ca 0.35 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.80 1jj2 h VAL 21 Cb 0.48 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 29.88 1jj2 h VAL 21 CO -0.35 0.01 0.00 0.49 -1.23 0.00 0.00 177.57 176.49 1jj2 n PHE 22 N -4.22 0.00 0.50 5.19 3.01 -1.03 -0.71 117.46 120.20 1jj2 n PHE 22 Ca 0.31 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.83 1jj2 n PHE 22 Cb 1.41 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.87 1jj2 n PHE 22 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1jj2 n GLU 23 N -0.83 2.19 -1.67 -1.08 1.02 0.32 -4.61 120.64 115.98 1jj2 n GLU 23 Ca 0.08 -0.56 -0.48 0.00 -0.02 0.00 0.00 57.16 56.18 1jj2 n GLU 23 Cb 0.04 -1.11 -0.05 0.00 -0.02 0.00 0.00 31.44 30.30 1jj2 n GLU 23 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1jj2 n THR 24 N -0.37 0.25 -1.68 2.62 -1.04 0.11 -4.83 114.28 109.34 1jj2 n THR 24 Ca 0.04 -0.04 -0.46 0.00 -2.04 0.00 0.00 64.05 61.55 1jj2 n THR 24 Cb 0.23 -1.57 -0.04 0.00 -1.82 0.00 0.00 70.33 67.13 1jj2 n THR 24 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1jj2 n PRO 25 N 4.71 2.26 -1.76 -2.82 -0.04 -1.26 -4.71 135.00 131.37 1jj2 n PRO 25 Ca 0.20 0.82 -0.43 0.00 -0.04 0.00 0.00 63.50 64.05 1jj2 n PRO 25 Cb 0.27 -2.62 -0.03 0.00 -0.04 0.00 0.00 33.50 31.08 1jj2 n PRO 25 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jj2 s VAL 26 N 1.60 3.19 -0.68 0.52 1.01 -1.26 -4.79 120.40 119.98 1jj2 s VAL 26 Ca 0.81 0.22 -0.00 0.00 0.00 0.00 0.00 61.98 63.00 1jj2 s VAL 26 Cb -0.65 -3.20 0.17 0.00 0.00 0.00 0.00 36.38 32.70 1jj2 s VAL 26 CO 0.40 -0.08 0.49 -0.60 0.00 0.00 0.00 175.10 175.31 1jj2 s ARG 27 N 5.23 2.61 0.46 2.72 6.06 -1.26 -4.94 118.95 129.83 1jj2 s ARG 27 Ca 0.89 -2.82 0.32 0.00 -2.50 0.00 0.00 55.73 51.61 1jj2 s ARG 27 Cb -0.34 -3.67 1.51 0.00 0.06 0.00 0.00 34.95 32.50 1jj2 s ARG 27 CO 0.36 -1.20 1.95 0.66 -2.50 0.00 0.00 175.30 174.57 1jj2 h SER 28 N 6.49 0.00 0.48 -2.12 4.64 -1.94 -1.40 113.55 119.71 1jj2 h SER 28 Ca 0.03 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.07 1jj2 h SER 28 Cb 0.88 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.99 1jj2 h SER 28 CO 0.74 0.00 -1.25 -2.24 -0.87 0.00 0.00 176.83 173.20 1jj2 h ASP 29 N 0.00 0.56 0.37 4.97 2.03 -1.94 -2.03 116.42 120.38 1jj2 h ASP 29 Ca 0.00 -0.57 -0.20 0.00 -0.73 0.00 0.00 57.03 55.53 1jj2 h ASP 29 Cb 0.24 -0.18 -0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1jj2 h ASP 29 CO 0.00 1.43 -0.84 -0.07 -1.03 0.00 0.00 179.24 178.73 1jj2 h LEU 30 N 0.12 0.44 -0.35 0.15 3.38 -1.82 -2.31 115.31 114.93 1jj2 h LEU 30 Ca -0.16 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 1jj2 h LEU 30 Cb 1.96 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 1jj2 h LEU 30 CO 0.22 1.10 0.05 0.40 0.09 0.00 0.00 178.44 180.30 1jj2 h ILE 31 N 0.21 1.24 -0.50 1.22 2.04 -1.33 -1.89 117.51 118.51 1jj2 h ILE 31 Ca -0.05 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 1jj2 h ILE 31 Cb 1.45 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 1jj2 h ILE 31 CO 0.14 0.28 0.30 1.23 0.00 0.00 0.00 178.15 180.10 1jj2 h GLY 32 N 0.41 0.72 1.46 5.37 0.00 -1.30 -1.91 103.07 107.82 1jj2 h GLY 32 Ca 0.10 -0.29 -0.15 0.00 0.00 0.00 0.00 47.33 47.00 1jj2 h GLY 32 CO 0.01 0.28 -0.47 1.70 0.00 0.00 0.00 176.54 178.06 1jj2 h LYS 33 N 0.69 0.58 -0.50 4.80 3.64 -1.05 -1.60 116.57 123.12 1jj2 h LYS 33 Ca 0.18 -0.33 -0.12 0.00 -1.27 0.00 0.00 60.65 59.12 1jj2 h LYS 33 Cb -0.02 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1jj2 h LYS 33 CO -0.03 0.93 -0.14 0.00 -2.27 0.00 0.00 179.45 177.94 1jj2 h ALA 34 N 1.02 0.70 -0.28 5.00 0.00 -0.64 -2.25 119.26 122.80 1jj2 h ALA 34 Ca 0.03 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1jj2 h ALA 34 Cb 0.99 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1jj2 h ALA 34 CO 0.09 0.63 -0.30 0.28 0.00 0.00 0.00 179.25 179.95 1jj2 h VAL 35 N 0.85 1.30 -0.72 0.00 2.07 -1.33 -2.25 116.25 116.18 1jj2 h VAL 35 Ca 0.13 -1.47 0.08 0.00 0.82 0.00 0.00 66.70 66.25 1jj2 h VAL 35 Cb 0.71 1.60 -0.06 0.00 -1.52 0.00 0.00 31.29 32.01 1jj2 h VAL 35 CO 0.05 0.47 0.39 -0.09 0.02 0.00 0.00 177.57 178.41 1jj2 h ARG 36 N 0.44 0.67 -0.29 1.57 2.43 -1.21 -0.06 114.38 117.94 1jj2 h ARG 36 Ca 0.04 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1jj2 h ARG 36 Cb 0.87 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1jj2 h ARG 36 CO 0.07 0.44 -0.13 0.00 -1.51 0.00 0.00 179.97 178.85 1jj2 h ALA 37 N 1.40 0.41 -0.63 2.80 0.00 -1.32 -1.26 119.26 120.66 1jj2 h ALA 37 Ca 0.34 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jj2 h ALA 37 Cb 0.28 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1jj2 h ALA 37 CO -0.22 0.29 0.38 0.00 0.00 0.00 0.00 179.25 179.69 1jj2 h ALA 38 N 0.76 1.48 -0.13 0.00 0.00 -0.91 0.29 119.26 120.75 1jj2 h ALA 38 Ca 0.07 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1jj2 h ALA 38 Cb 0.64 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1jj2 h ALA 38 CO 0.04 0.45 -0.77 1.96 0.00 0.00 0.00 179.25 180.93 1jj2 h GLN 39 N 0.87 0.67 -0.14 0.00 4.20 -0.86 -3.27 115.11 116.57 1jj2 h GLN 39 Ca 0.23 -0.55 -0.04 0.00 0.06 0.00 0.00 58.65 58.35 1jj2 h GLN 39 Cb -0.03 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1jj2 h GLN 39 CO -0.04 1.17 -0.06 0.00 -0.67 0.00 0.00 178.83 179.23 1jj2 h ALA 40 N 0.68 0.20 0.00 3.87 0.00 -0.79 -3.20 119.26 120.02 1jj2 h ALA 40 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1jj2 h ALA 40 Cb 1.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1jj2 h ALA 40 CO 0.15 -0.02 0.06 0.09 0.00 0.00 0.00 179.25 179.53 1jj2 n ASN 41 N -4.67 0.35 -0.78 0.00 3.02 0.05 -1.23 115.26 112.00 1jj2 n ASN 41 Ca -0.06 0.63 0.09 0.00 -0.03 0.00 0.00 54.58 55.22 1jj2 n ASN 41 Cb 0.28 -0.66 0.10 0.00 -0.61 0.00 0.00 39.78 38.88 1jj2 n ASN 41 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1jj2 n ARG 42 N -1.97 1.72 -2.42 3.52 1.85 -1.21 -4.97 116.66 113.19 1jj2 n ARG 42 Ca -0.01 -1.70 -0.39 0.00 -1.00 0.00 0.00 57.85 54.75 1jj2 n ARG 42 Cb 0.08 -1.37 -0.03 0.00 -1.05 0.00 0.00 32.46 30.09 1jj2 n ARG 42 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1jj2 s LYS 43 N -1.50 4.36 0.10 2.89 3.01 -0.36 -5.02 119.74 123.22 1jj2 s LYS 43 Ca 0.24 1.78 -0.12 0.00 -1.01 0.00 0.00 55.97 56.85 1jj2 s LYS 43 Cb 0.16 -2.90 -0.06 0.00 -1.01 0.00 0.00 37.83 34.02 1jj2 s LYS 43 CO 0.24 -0.03 0.47 -0.65 0.51 0.00 0.00 175.35 175.88 1jj2 s GLN 44 N -1.93 3.87 0.42 1.68 -0.21 -1.26 -5.00 119.66 117.23 1jj2 s GLN 44 Ca 0.51 0.33 -0.25 0.00 0.02 0.00 0.00 55.36 55.97 1jj2 s GLN 44 Cb -0.30 -2.98 -0.08 0.00 1.00 0.00 0.00 33.01 30.65 1jj2 s GLN 44 CO 0.38 0.53 1.22 -0.51 -2.12 0.00 0.00 175.29 174.80 1jj2 s ASP 45 N -1.70 6.31 0.35 5.90 -0.00 -1.26 -5.03 116.67 121.24 1jj2 s ASP 45 Ca 0.35 2.46 -0.04 0.00 -0.00 0.00 0.00 52.55 55.32 1jj2 s ASP 45 Cb -0.15 -2.62 0.01 0.00 -0.00 0.00 0.00 42.92 40.16 1jj2 s ASP 45 CO 0.18 -0.83 0.51 -0.72 -0.00 0.00 0.00 175.17 174.31 1jj2 s TYR 46 N -1.38 0.98 0.00 4.23 -0.85 -1.26 -5.01 117.35 114.05 1jj2 s TYR 46 Ca 0.59 -1.25 0.00 0.00 -0.52 0.00 0.00 57.07 55.89 1jj2 s TYR 46 Cb -0.33 0.02 0.00 0.00 0.38 0.00 0.00 41.96 42.03 1jj2 s TYR 46 CO 0.42 -1.19 0.00 0.41 -1.52 0.00 0.00 175.55 173.66 1jj2 n GLY 47 N -0.57 3.87 3.73 5.49 0.00 -1.26 -1.82 105.19 114.63 1jj2 n GLY 47 Ca -0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 1jj2 n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jj2 s SER 48 N 0.00 3.84 0.19 1.61 1.04 -1.21 -4.84 113.70 114.33 1jj2 s SER 48 Ca 0.00 1.67 -0.32 0.00 0.48 0.00 0.00 55.95 57.78 1jj2 s SER 48 Cb 0.00 -2.34 -0.12 0.00 0.10 0.00 0.00 66.02 63.66 1jj2 s SER 48 CO 0.00 -2.43 1.75 -0.67 0.98 0.00 0.00 173.24 172.87 1jj2 n ASP 49 N -3.77 4.02 -0.27 7.02 -0.08 -1.26 -4.88 116.55 117.34 1jj2 n ASP 49 Ca 0.08 1.05 0.19 0.00 -1.51 0.00 0.00 54.79 54.60 1jj2 n ASP 49 Cb 0.54 -1.57 0.49 0.00 2.34 0.00 0.00 41.12 42.92 1jj2 n ASP 49 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1jj2 h GLU 50 N 7.15 0.43 -0.51 -0.67 4.39 -1.98 -1.84 114.58 121.55 1jj2 h GLU 50 Ca -0.44 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1jj2 h GLU 50 Cb 1.21 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1jj2 h GLU 50 CO 0.96 0.28 0.00 0.66 -1.16 0.00 0.00 179.01 179.75 1jj2 n TYR 51 N -4.55 0.67 -1.68 4.33 4.02 -1.26 -4.93 117.16 113.76 1jj2 n TYR 51 Ca 0.21 -0.35 -0.47 0.00 -0.01 0.00 0.00 57.90 57.28 1jj2 n TYR 51 Cb 0.73 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.00 1jj2 n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jj2 n ALA 52 N 1.47 1.17 0.00 -0.72 0.00 -0.69 -0.79 120.51 120.96 1jj2 n ALA 52 Ca 0.20 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1jj2 n ALA 52 Cb 0.59 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1jj2 n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jj2 n GLY 53 N 4.13 2.12 0.57 0.00 0.00 -1.26 -4.24 105.19 106.51 1jj2 n GLY 53 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1jj2 n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jj2 n LEU 54 N 0.00 2.12 -3.75 0.99 4.77 0.03 -3.80 117.00 117.36 1jj2 n LEU 54 Ca 0.00 -0.75 -0.42 0.00 -0.03 0.00 0.00 56.01 54.81 1jj2 n LEU 54 Cb 0.00 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1jj2 n LEU 54 CO 0.00 0.38 2.58 0.54 -1.33 0.00 0.00 177.39 179.57 1jj2 n ARG 55 N 0.21 2.96 -3.57 3.23 1.74 -1.24 -4.81 116.66 115.17 1jj2 n ARG 55 Ca 0.11 -2.73 -0.12 0.00 -0.77 0.00 0.00 57.85 54.34 1jj2 n ARG 55 Cb 0.48 -3.24 -0.05 0.00 -1.02 0.00 0.00 32.46 28.63 1jj2 n ARG 55 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1jj2 s THR 56 N 2.81 0.00 -1.36 0.55 -1.32 -1.26 -5.02 115.64 110.04 1jj2 s THR 56 Ca 0.46 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 61.13 1jj2 s THR 56 Cb 0.13 -1.00 0.70 0.00 -1.51 0.00 0.00 72.50 70.82 1jj2 s THR 56 CO -0.08 0.00 1.60 -0.81 -2.21 0.00 0.00 174.62 173.12 1jj2 n PRO 57 N 0.93 3.45 -1.34 7.08 -0.04 -1.26 -5.00 135.00 138.81 1jj2 n PRO 57 Ca -0.12 -2.76 -0.46 0.00 -0.04 0.00 0.00 63.50 60.11 1jj2 n PRO 57 Cb 0.57 -1.81 -0.03 0.00 -0.04 0.00 0.00 33.50 32.19 1jj2 n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jj2 n ALA 58 N 1.24 -2.84 -2.39 0.55 0.00 -1.26 -4.98 120.51 110.84 1jj2 n ALA 58 Ca 0.25 0.43 -0.12 0.00 0.00 0.00 0.00 53.44 54.00 1jj2 n ALA 58 Cb 0.82 -1.55 -0.10 0.00 0.00 0.00 0.00 19.45 18.62 1jj2 n ALA 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1jj2 s GLU 59 N -0.90 0.76 0.06 0.00 2.02 -0.65 -4.69 118.70 115.29 1jj2 s GLU 59 Ca 0.63 -1.17 -0.17 0.00 0.02 0.00 0.00 54.97 54.28 1jj2 s GLU 59 Cb -0.91 -0.28 -0.06 0.00 0.10 0.00 0.00 34.13 32.98 1jj2 s GLU 59 CO 0.54 0.01 0.52 0.45 0.02 0.00 0.00 175.26 176.80 1jj2 s SER 60 N -2.59 6.96 0.34 -0.19 0.15 -1.26 0.23 113.70 117.35 1jj2 s SER 60 Ca 0.05 1.15 0.25 0.00 0.70 0.00 0.00 55.95 58.11 1jj2 s SER 60 Cb 0.00 -2.32 0.66 0.00 -1.71 0.00 0.00 66.02 62.65 1jj2 s SER 60 CO -0.03 0.28 1.72 -0.26 1.20 0.00 0.00 173.24 176.15 1jj2 h PHE 61 N 4.51 0.00 -0.08 3.44 -1.00 -1.91 -3.48 116.94 118.43 1jj2 h PHE 61 Ca -0.50 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.28 1jj2 h PHE 61 Cb 1.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.77 1jj2 h PHE 61 CO 0.69 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.80 1jj2 n GLY 62 N 1.03 -1.20 3.79 -1.45 0.00 -1.26 -4.88 105.19 101.21 1jj2 n GLY 62 Ca 0.04 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 1jj2 n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jj2 s SER 63 N -4.00 4.33 0.00 1.61 0.01 -1.26 -4.59 113.70 109.80 1jj2 s SER 63 Ca 0.00 1.38 0.00 0.00 1.31 0.00 0.00 55.95 58.64 1jj2 s SER 63 Cb 0.00 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.12 1jj2 s SER 63 CO 0.00 -2.08 0.00 0.61 0.41 0.00 0.00 173.24 172.18 1jj2 n GLY 64 N -1.86 0.70 0.31 3.44 0.00 -1.26 -4.96 105.19 101.56 1jj2 n GLY 64 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.18 1jj2 n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1jj2 n ARG 65 N 0.00 1.65 -2.56 1.61 1.85 -1.26 -4.96 116.66 112.99 1jj2 n ARG 65 Ca 0.00 -2.71 -0.18 0.00 -1.00 0.00 0.00 57.85 53.96 1jj2 n ARG 65 Cb 0.00 -1.59 0.01 0.00 -1.05 0.00 0.00 32.46 29.83 1jj2 n ARG 65 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1jj2 n GLY 66 N -1.22 -0.36 3.31 2.89 0.00 -1.26 -5.00 105.19 103.56 1jj2 n GLY 66 Ca 0.18 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1jj2 n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jj2 s GLN 67 N -5.14 1.27 0.57 1.61 0.74 -1.26 -5.12 119.66 112.34 1jj2 s GLN 67 Ca 0.10 -1.18 -0.19 0.00 0.05 0.00 0.00 55.36 54.14 1jj2 s GLN 67 Cb -0.04 -1.57 -0.05 0.00 1.10 0.00 0.00 33.01 32.45 1jj2 s GLN 67 CO 0.12 0.38 1.18 0.00 -0.55 0.00 0.00 175.29 176.42 1jj2 s ALA 68 N -1.06 2.61 -1.16 1.58 0.00 -1.26 -4.85 121.76 117.61 1jj2 s ALA 68 Ca 0.09 0.94 -0.19 0.00 0.00 0.00 0.00 51.96 52.79 1jj2 s ALA 68 Cb -0.10 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1jj2 s ALA 68 CO 0.04 -1.00 1.96 0.72 0.00 0.00 0.00 175.76 177.48 1jj2 n HIS 69 N -1.47 3.13 -5.21 0.00 -0.00 -1.26 -4.88 115.22 105.53 1jj2 n HIS 69 Ca 0.13 -2.25 -0.32 0.00 -0.00 0.00 0.00 57.72 55.28 1jj2 n HIS 69 Cb 0.50 -2.35 -0.17 0.00 -0.00 0.00 0.00 29.99 27.98 1jj2 n HIS 69 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1jj2 s VAL 70 N 5.82 2.12 0.16 1.59 1.01 -1.26 -4.98 120.40 124.86 1jj2 s VAL 70 Ca 0.57 -1.02 -0.34 0.00 0.00 0.00 0.00 61.98 61.19 1jj2 s VAL 70 Cb 0.08 -1.79 -0.14 0.00 0.00 0.00 0.00 36.38 34.53 1jj2 s VAL 70 CO 0.06 0.56 1.57 -2.65 0.00 0.00 0.00 175.10 174.64 1jj2 n PRO 71 N 3.27 2.13 -4.19 2.72 -0.02 -1.26 -4.37 135.00 133.27 1jj2 n PRO 71 Ca -0.18 0.77 -0.16 0.00 -2.02 0.00 0.00 63.50 61.90 1jj2 n PRO 71 Cb 0.53 -2.53 -0.11 0.00 -0.02 0.00 0.00 33.50 31.36 1jj2 n PRO 71 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1jj2 s LYS 72 N 0.83 0.88 -0.06 -0.52 1.02 0.14 -0.86 119.74 121.17 1jj2 s LYS 72 Ca 0.78 -1.13 -0.02 0.00 0.02 0.00 0.00 55.97 55.62 1jj2 s LYS 72 Cb -0.68 -0.70 0.04 0.00 -0.52 0.00 0.00 37.83 35.97 1jj2 s LYS 72 CO 0.39 0.13 0.13 -1.17 -0.92 0.00 0.00 175.35 173.90 1jj2 s LEU 73 N -2.27 0.72 -1.48 3.17 2.96 0.12 -1.64 118.68 120.26 1jj2 s LEU 73 Ca 0.04 0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 54.12 1jj2 s LEU 73 Cb -0.05 0.29 0.06 0.00 0.50 0.00 0.00 46.19 46.99 1jj2 s LEU 73 CO 0.01 -0.15 0.86 0.47 -1.32 0.00 0.00 176.35 176.22 1jj2 n ASP 74 N 4.27 -3.43 -2.07 3.68 8.00 -1.26 -1.02 116.55 124.73 1jj2 n ASP 74 Ca -0.26 -0.82 -0.21 0.00 0.71 0.00 0.00 54.79 54.22 1jj2 n ASP 74 Cb 0.51 -3.79 -0.04 0.00 -0.02 0.00 0.00 41.12 37.78 1jj2 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jj2 n GLY 75 N -1.67 0.53 3.03 0.44 0.00 -1.26 -4.98 105.19 101.29 1jj2 n GLY 75 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 1jj2 n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jj2 s ARG 76 N -4.50 1.64 0.43 1.61 3.52 -0.19 -5.11 118.95 116.35 1jj2 s ARG 76 Ca 0.00 -0.42 -0.24 0.00 -0.13 0.00 0.00 55.73 54.94 1jj2 s ARG 76 Cb 0.00 -1.37 -0.08 0.00 -1.56 0.00 0.00 34.95 31.94 1jj2 s ARG 76 CO 0.00 0.05 1.19 0.00 -0.81 0.00 0.00 175.30 175.74 1jj2 s ALA 77 N 0.57 3.09 0.29 6.12 0.00 -1.26 0.15 121.76 130.71 1jj2 s ALA 77 Ca -0.13 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.72 1jj2 s ALA 77 Cb -0.15 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1jj2 s ALA 77 CO 0.03 -0.65 0.56 1.03 0.00 0.00 0.00 175.76 176.73 1jj2 s ARG 78 N -2.46 1.76 0.00 0.00 0.52 -0.04 -4.76 118.95 113.97 1jj2 s ARG 78 Ca 0.60 -1.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.47 1jj2 s ARG 78 Cb -0.31 0.51 0.00 0.00 0.52 0.00 0.00 34.95 35.67 1jj2 s ARG 78 CO 0.39 -0.76 0.00 -2.13 0.02 0.00 0.00 175.30 172.82 1jj2 n ARG 79 N -0.45 0.00 -1.70 3.54 0.63 -1.25 -4.49 116.66 112.95 1jj2 n ARG 79 Ca -0.02 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.52 1jj2 n ARG 79 Cb 0.61 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.57 1jj2 n ARG 79 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1jj2 n VAL 80 N 0.00 3.77 0.09 5.15 0.24 -1.26 -0.19 118.33 126.13 1jj2 n VAL 80 Ca 0.00 -0.50 0.18 0.00 -2.04 0.00 0.00 64.34 61.98 1jj2 n VAL 80 Cb 0.00 -1.47 0.72 0.00 -1.47 0.00 0.00 33.84 31.62 1jj2 n VAL 80 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1jj2 h PRO 81 N 1.13 0.00 -0.00 7.34 0.11 -1.90 -0.41 132.00 138.26 1jj2 h PRO 81 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1jj2 h PRO 81 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1jj2 h PRO 81 CO 0.55 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.28 1jj2 n GLN 82 N -4.20 0.85 -3.43 1.05 0.00 -1.26 -4.81 117.38 105.59 1jj2 n GLN 82 Ca 0.06 -0.26 -0.38 0.00 0.00 0.00 0.00 57.00 56.42 1jj2 n GLN 82 Cb 0.48 -1.49 -0.06 0.00 0.00 0.00 0.00 30.24 29.16 1jj2 n GLN 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jj2 s ALA 83 N -2.33 3.63 0.20 2.61 0.00 -0.16 -5.01 121.76 120.69 1jj2 s ALA 83 Ca 0.34 -0.18 -0.31 0.00 0.00 0.00 0.00 51.96 51.80 1jj2 s ALA 83 Cb 0.21 -2.48 -0.11 0.00 0.00 0.00 0.00 23.12 20.74 1jj2 s ALA 83 CO 0.44 0.35 1.61 0.08 0.00 0.00 0.00 175.76 178.24 1jj2 s VAL 84 N -0.66 2.37 0.00 0.00 1.01 -1.26 -0.01 120.40 121.86 1jj2 s VAL 84 Ca 0.25 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1jj2 s VAL 84 Cb -0.17 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1jj2 s VAL 84 CO 0.13 0.03 0.00 0.29 0.00 0.00 0.00 175.10 175.55 1jj2 n LYS 85 N 3.66 0.00 -1.79 2.72 4.76 -1.26 -4.75 118.16 121.50 1jj2 n LYS 85 Ca 0.13 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.28 1jj2 n LYS 85 Cb 0.37 -2.24 0.12 0.00 -1.84 0.00 0.00 35.03 31.45 1jj2 n LYS 85 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1jj2 s GLY 86 N -1.89 1.62 0.90 0.72 0.00 0.99 -4.45 107.32 105.21 1jj2 s GLY 86 Ca 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 44.72 43.89 1jj2 s GLY 86 CO 0.00 -0.16 1.11 1.09 0.00 0.00 0.00 173.10 175.14 1jj2 s ARG 87 N -5.56 1.17 -0.24 2.90 1.70 0.74 -4.71 118.95 114.95 1jj2 s ARG 87 Ca 0.65 1.24 -0.20 0.00 -0.47 0.00 0.00 55.73 56.95 1jj2 s ARG 87 Cb -0.11 -1.77 -0.02 0.00 -0.57 0.00 0.00 34.95 32.48 1jj2 s ARG 87 CO 0.51 -2.42 0.60 0.45 -1.08 0.00 0.00 175.30 173.35 1jj2 s SER 88 N -2.98 6.57 0.12 -2.89 0.15 -1.26 -4.06 113.70 109.35 1jj2 s SER 88 Ca 0.65 0.70 -0.26 0.00 0.70 0.00 0.00 55.95 57.73 1jj2 s SER 88 Cb -0.21 -2.32 -0.06 0.00 -1.71 0.00 0.00 66.02 61.72 1jj2 s SER 88 CO 0.58 -0.31 1.63 0.00 1.20 0.00 0.00 173.24 176.34 1jj2 h ALA 89 N 7.78 -0.39 -2.38 5.45 0.00 -1.94 -3.36 119.26 124.43 1jj2 h ALA 89 Ca -0.29 -0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.01 1jj2 h ALA 89 Cb 1.13 0.45 -0.39 0.00 0.00 0.00 0.00 17.79 18.98 1jj2 h ALA 89 CO 0.76 -0.78 -0.92 0.72 0.00 0.00 0.00 179.25 179.03 1jj2 n HIS 90 N -5.38 0.18 -2.05 0.00 8.25 -1.26 -5.13 115.22 109.83 1jj2 n HIS 90 Ca -0.05 -3.58 -0.27 0.00 -0.26 0.00 0.00 57.72 53.55 1jj2 n HIS 90 Cb 0.29 -0.08 0.08 0.00 1.12 0.00 0.00 29.99 31.41 1jj2 n HIS 90 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1jj2 s PRO 91 N -0.66 2.03 0.62 -0.41 0.04 -1.26 -5.04 135.00 130.32 1jj2 s PRO 91 Ca 0.33 -0.10 -0.19 0.00 0.04 0.00 0.00 61.00 61.08 1jj2 s PRO 91 Cb 0.07 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1jj2 s PRO 91 CO -0.16 -1.45 1.28 -2.14 0.04 0.00 0.00 177.00 174.57 1jj2 s PRO 92 N -5.42 2.73 -0.02 0.56 0.02 -1.26 -4.95 135.00 126.66 1jj2 s PRO 92 Ca 0.62 2.03 0.02 0.00 0.02 0.00 0.00 61.00 63.68 1jj2 s PRO 92 Cb -0.11 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.50 1jj2 s PRO 92 CO 0.47 -1.45 -0.05 0.15 -0.33 0.00 0.00 177.00 175.79 1jj2 s LYS 93 N -3.30 0.63 0.26 5.54 1.02 -1.24 -3.31 119.74 119.33 1jj2 s LYS 93 Ca 0.80 -0.16 -0.02 0.00 0.02 0.00 0.00 55.97 56.62 1jj2 s LYS 93 Cb -0.36 -0.64 0.51 0.00 -0.52 0.00 0.00 37.83 36.83 1jj2 s LYS 93 CO 0.39 0.03 1.76 1.15 -0.92 0.00 0.00 175.35 177.76 1jj2 h THR 94 N 5.56 0.73 -0.00 2.17 2.02 -1.69 -2.18 112.91 119.52 1jj2 h THR 94 Ca -0.34 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1jj2 h THR 94 Cb 1.17 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1jj2 h THR 94 CO 0.49 0.11 0.01 -0.33 0.37 0.00 0.00 175.52 176.17 1jj2 h GLU 95 N 0.60 0.00 -6.67 6.66 3.07 -1.96 -3.44 114.58 112.84 1jj2 h GLU 95 Ca 0.45 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.77 1jj2 h GLU 95 Cb 0.64 0.00 0.07 0.00 -0.84 0.00 0.00 28.75 28.61 1jj2 h GLU 95 CO -0.36 0.00 0.93 1.17 -1.40 0.00 0.00 179.01 179.35 1jj2 n LYS 96 N -3.42 2.64 -2.71 2.33 4.81 -0.82 -4.93 118.16 116.07 1jj2 n LYS 96 Ca -0.03 0.95 -0.43 0.00 -0.87 0.00 0.00 58.31 57.93 1jj2 n LYS 96 Cb 0.09 -2.76 -0.03 0.00 0.02 0.00 0.00 35.03 32.34 1jj2 n LYS 96 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1jj2 s ASP 97 N 0.91 6.44 -0.10 3.14 3.68 -1.26 -4.88 116.67 124.59 1jj2 s ASP 97 Ca 0.72 -0.02 0.19 0.00 2.13 0.00 0.00 52.55 55.57 1jj2 s ASP 97 Cb -0.53 -2.49 0.72 0.00 -1.45 0.00 0.00 42.92 39.16 1jj2 s ASP 97 CO 0.38 -1.30 1.62 0.54 0.13 0.00 0.00 175.17 176.55 1jj2 n ARG 98 N 7.82 3.66 -3.71 4.34 1.74 -1.26 -4.96 116.66 124.30 1jj2 n ARG 98 Ca 0.06 -2.84 -0.24 0.00 -0.77 0.00 0.00 57.85 54.06 1jj2 n ARG 98 Cb 0.48 -1.88 -0.02 0.00 -1.02 0.00 0.00 32.46 30.02 1jj2 n ARG 98 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1jj2 s SER 99 N -0.89 6.33 -0.09 0.55 1.04 -1.26 -4.48 113.70 114.90 1jj2 s SER 99 Ca 0.51 0.29 0.04 0.00 0.48 0.00 0.00 55.95 57.26 1jj2 s SER 99 Cb 0.32 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 64.49 1jj2 s SER 99 CO 0.25 -0.13 -0.20 -0.76 0.98 0.00 0.00 173.24 173.38 1jj2 s LEU 100 N -3.86 1.96 0.67 2.42 1.43 -1.26 -4.98 118.68 115.06 1jj2 s LEU 100 Ca 0.37 -0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 52.91 1jj2 s LEU 100 Cb -0.10 -1.23 0.03 0.00 0.03 0.00 0.00 46.19 44.92 1jj2 s LEU 100 CO 0.31 0.12 1.02 -1.81 0.23 0.00 0.00 176.35 176.22 1jj2 s ASP 101 N 0.42 5.29 -0.29 2.29 1.11 -1.26 -4.87 116.67 119.35 1jj2 s ASP 101 Ca -0.17 0.81 -0.14 0.00 0.18 0.00 0.00 52.55 53.22 1jj2 s ASP 101 Cb -0.17 -1.62 0.14 0.00 1.07 0.00 0.00 42.92 42.33 1jj2 s ASP 101 CO 0.07 -1.34 0.86 -0.22 1.18 0.00 0.00 175.17 175.72 1jj2 s LEU 102 N -5.22 -0.75 0.37 1.23 2.96 -1.26 -5.01 118.68 111.00 1jj2 s LEU 102 Ca 0.57 1.10 -0.28 0.00 -0.22 0.00 0.00 54.13 55.30 1jj2 s LEU 102 Cb -0.11 1.96 -0.11 0.00 0.50 0.00 0.00 46.19 48.43 1jj2 s LEU 102 CO 0.48 -0.16 1.48 0.20 -1.32 0.00 0.00 176.35 177.02 1jj2 s ASN 103 N 2.09 6.38 0.25 3.68 -0.87 -1.26 -4.85 114.94 120.35 1jj2 s ASN 103 Ca -0.06 3.02 -0.04 0.00 -1.57 0.00 0.00 52.86 54.20 1jj2 s ASN 103 Cb -0.06 -2.66 0.44 0.00 -0.02 0.00 0.00 41.25 38.94 1jj2 s ASN 103 CO -0.18 -0.85 1.77 0.44 -2.57 0.00 0.00 177.10 175.72 1jj2 h ASP 104 N 3.15 0.50 -0.11 -1.22 3.32 -2.01 -0.99 116.42 119.07 1jj2 h ASP 104 Ca -0.50 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 1jj2 h ASP 104 Cb 1.24 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1jj2 h ASP 104 CO 0.65 0.25 0.06 0.11 -1.72 0.00 0.00 179.24 178.59 1jj2 h LYS 105 N 0.63 0.15 -0.84 3.56 1.57 -1.99 0.26 116.57 119.91 1jj2 h LYS 105 Ca 0.41 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.20 1jj2 h LYS 105 Cb 0.50 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 1jj2 h LYS 105 CO -0.32 0.19 0.56 1.49 -0.57 0.00 0.00 179.45 180.80 1jj2 h GLU 106 N 0.07 1.05 -0.06 3.15 4.81 -1.81 0.39 114.58 122.18 1jj2 h GLU 106 Ca 0.04 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1jj2 h GLU 106 Cb 0.08 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1jj2 h GLU 106 CO -0.01 0.70 -0.12 -0.09 -0.73 0.00 0.00 179.01 178.76 1jj2 h ARG 107 N 1.08 0.19 -0.73 1.92 2.43 -0.75 -2.41 114.38 116.11 1jj2 h ARG 107 Ca 0.33 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1jj2 h ARG 107 Cb -0.03 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1jj2 h ARG 107 CO -0.09 0.70 0.39 1.96 -1.51 0.00 0.00 179.97 181.43 1jj2 h GLN 108 N -0.30 1.02 -0.56 0.20 4.20 -0.22 -0.33 115.11 119.11 1jj2 h GLN 108 Ca 0.00 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1jj2 h GLN 108 Cb 0.70 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1jj2 h GLN 108 CO 0.03 0.75 0.30 1.25 -0.67 0.00 0.00 178.83 180.49 1jj2 h LEU 109 N 1.02 0.70 -1.19 1.46 5.85 -0.93 -0.88 115.31 121.34 1jj2 h LEU 109 Ca 0.26 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1jj2 h LEU 109 Cb 0.04 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1jj2 h LEU 109 CO -0.04 0.60 0.40 0.00 -0.34 0.00 0.00 178.44 179.06 1jj2 h ALA 110 N 1.13 1.39 -0.12 1.25 0.00 -0.77 0.14 119.26 122.29 1jj2 h ALA 110 Ca 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jj2 h ALA 110 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1jj2 h ALA 110 CO -0.03 0.51 0.06 0.28 0.00 0.00 0.00 179.25 180.07 1jj2 h VAL 111 N 0.97 1.12 -0.86 0.00 2.07 -0.23 0.18 116.25 119.49 1jj2 h VAL 111 Ca 0.25 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1jj2 h VAL 111 Cb -0.01 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1jj2 h VAL 111 CO -0.04 0.11 0.53 0.03 0.02 0.00 0.00 177.57 178.21 1jj2 h ARG 112 N 0.07 1.16 -0.65 1.57 3.08 -0.63 -1.18 114.38 117.79 1jj2 h ARG 112 Ca 0.04 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 1jj2 h ARG 112 Cb 0.12 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 1jj2 h ARG 112 CO -0.01 0.80 0.09 1.03 -1.07 0.00 0.00 179.97 180.82 1jj2 h SER 113 N 1.18 1.04 0.54 7.04 0.87 -0.44 -1.70 113.55 122.07 1jj2 h SER 113 Ca 0.31 -0.27 -0.09 0.00 -1.23 0.00 0.00 61.79 60.51 1jj2 h SER 113 Cb -0.07 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.60 1jj2 h SER 113 CO -0.06 1.04 -0.45 0.00 -0.53 0.00 0.00 176.83 176.84 1jj2 h ALA 114 N 1.03 1.17 0.12 6.23 0.00 -0.60 -1.74 119.26 125.47 1jj2 h ALA 114 Ca 0.20 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1jj2 h ALA 114 Cb 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1jj2 h ALA 114 CO 0.02 0.56 -0.06 1.25 0.00 0.00 0.00 179.25 181.02 1jj2 h LEU 115 N 0.00 -0.13 -0.67 0.00 5.85 -0.75 -3.05 115.31 116.57 1jj2 h LEU 115 Ca -0.00 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.61 1jj2 h LEU 115 Cb 0.84 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 1jj2 h LEU 115 CO 0.06 0.07 0.39 0.00 -0.34 0.00 0.00 178.44 178.62 1jj2 h ALA 116 N 0.53 0.88 -0.19 1.25 0.00 -1.06 -0.45 119.26 120.22 1jj2 h ALA 116 Ca -0.02 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1jj2 h ALA 116 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1jj2 h ALA 116 CO 0.03 0.11 0.26 0.00 0.00 0.00 0.00 179.25 179.65 1jj2 h ALA 117 N 1.32 1.74 0.00 0.00 0.00 -1.22 0.70 119.26 121.79 1jj2 h ALA 117 Ca 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1jj2 h ALA 117 Cb 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jj2 h ALA 117 CO -0.14 -0.35 -0.00 1.15 0.00 0.00 0.00 179.25 179.90 1jj2 h THR 118 N 0.00 0.00 -0.53 0.00 2.02 -0.98 -3.00 112.91 110.42 1jj2 h THR 118 Ca 0.09 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1jj2 h THR 118 Cb 0.60 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1jj2 h THR 118 CO -0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1jj2 n ALA 119 N -2.09 3.20 -3.96 6.16 0.00 0.24 -3.05 120.51 121.01 1jj2 n ALA 119 Ca 0.00 -1.41 -0.31 0.00 0.00 0.00 0.00 53.44 51.72 1jj2 n ALA 119 Cb 0.28 -1.05 -0.14 0.00 0.00 0.00 0.00 19.45 18.54 1jj2 n ALA 119 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jj2 s ASP 120 N -0.77 4.69 0.34 0.00 -1.08 -1.13 -4.70 116.67 114.01 1jj2 s ASP 120 Ca 0.44 -2.47 0.13 0.00 -0.52 0.00 0.00 52.55 50.13 1jj2 s ASP 120 Cb 0.30 -1.66 1.04 0.00 -1.46 0.00 0.00 42.92 41.14 1jj2 s ASP 120 CO 0.19 -0.34 1.67 0.00 0.52 0.00 0.00 175.17 177.20 1jj2 h ALA 121 N 7.25 1.89 -0.26 3.66 0.00 -1.86 -0.36 119.26 129.58 1jj2 h ALA 121 Ca -0.06 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1jj2 h ALA 121 Cb 0.98 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1jj2 h ALA 121 CO 0.60 -0.54 0.05 -0.44 0.00 0.00 0.00 179.25 178.92 1jj2 h ASP 122 N 0.33 0.40 -0.06 0.00 3.32 -1.95 -1.73 116.42 116.73 1jj2 h ASP 122 Ca 0.71 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.52 1jj2 h ASP 122 Cb 1.60 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 41.04 1jj2 h ASP 122 CO -0.60 0.55 0.02 -0.07 -1.72 0.00 0.00 179.24 177.41 1jj2 h LEU 123 N 0.24 0.02 -1.92 1.55 3.38 -1.43 -0.72 115.31 116.42 1jj2 h LEU 123 Ca 0.08 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.13 1jj2 h LEU 123 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1jj2 h LEU 123 CO 0.00 0.02 0.23 0.58 0.09 0.00 0.00 178.44 179.37 1jj2 h VAL 124 N 0.05 0.88 0.08 1.22 2.07 -1.22 0.66 116.25 119.99 1jj2 h VAL 124 Ca 0.02 -0.03 -0.25 0.00 0.82 0.00 0.00 66.70 67.26 1jj2 h VAL 124 Cb 0.01 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1jj2 h VAL 124 CO -0.03 0.02 -1.12 0.00 0.02 0.00 0.00 177.57 176.46 1jj2 h ALA 125 N 1.83 0.21 -0.03 1.67 0.00 -0.59 -3.12 119.26 119.23 1jj2 h ALA 125 Ca 0.16 -0.82 -0.13 0.00 0.00 0.00 0.00 54.91 54.11 1jj2 h ALA 125 Cb 0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1jj2 h ALA 125 CO -0.01 0.93 -0.58 -0.44 0.00 0.00 0.00 179.25 179.14 1jj2 h ASP 126 N 0.12 0.13 0.21 0.00 3.32 0.34 -2.22 116.42 118.32 1jj2 h ASP 126 Ca -0.11 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 1jj2 h ASP 126 Cb 1.82 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 41.33 1jj2 h ASP 126 CO 0.19 0.68 -0.05 -0.09 -1.72 0.00 0.00 179.24 178.25 1jj2 h ARG 127 N 0.09 0.00 0.00 3.56 2.43 -0.96 -3.46 114.38 116.04 1jj2 h ARG 127 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jj2 h ARG 127 Cb 1.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1jj2 h ARG 127 CO 0.08 0.05 0.00 0.41 -1.51 0.00 0.00 179.97 179.00 1jj2 n GLY 128 N -0.94 1.86 3.68 2.80 0.00 -0.83 -5.11 105.19 106.64 1jj2 n GLY 128 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1jj2 n GLY 128 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jj2 n HIS 129 N 0.00 1.89 -3.81 1.61 8.25 -1.18 -4.99 115.22 116.99 1jj2 n HIS 129 Ca 0.00 0.51 -0.36 0.00 -0.26 0.00 0.00 57.72 57.61 1jj2 n HIS 129 Cb 0.00 -2.34 -0.10 0.00 1.12 0.00 0.00 29.99 28.67 1jj2 n HIS 129 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1jj2 s GLU 130 N -2.23 3.98 -0.12 -0.41 0.41 -1.26 -4.66 118.70 114.40 1jj2 s GLU 130 Ca 0.63 -0.33 -0.32 0.00 -0.41 0.00 0.00 54.97 54.54 1jj2 s GLU 130 Cb -0.51 -3.38 0.13 0.00 -1.78 0.00 0.00 34.13 28.59 1jj2 s GLU 130 CO 0.57 0.12 1.07 -0.59 -0.49 0.00 0.00 175.26 175.94 1jj2 s PHE 131 N 0.84 -0.23 -0.55 1.61 -0.12 -1.26 -1.93 117.98 116.34 1jj2 s PHE 131 Ca 0.06 0.18 0.07 0.00 -0.05 0.00 0.00 56.93 57.18 1jj2 s PHE 131 Cb -0.13 0.52 0.29 0.00 -0.63 0.00 0.00 43.02 43.06 1jj2 s PHE 131 CO 0.02 -0.34 0.76 -0.25 -0.05 0.00 0.00 175.22 175.37 1jj2 n ASP 132 N -0.04 2.98 -4.10 1.98 8.00 -0.78 -5.05 116.55 119.53 1jj2 n ASP 132 Ca -0.04 -3.33 -0.10 0.00 0.71 0.00 0.00 54.79 52.04 1jj2 n ASP 132 Cb 0.60 -0.63 -0.10 0.00 -0.02 0.00 0.00 41.12 40.96 1jj2 n ASP 132 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1jj2 s ARG 133 N -2.52 0.64 -0.18 -1.24 3.52 -1.26 -4.84 118.95 113.06 1jj2 s ARG 133 Ca 0.42 -1.10 0.09 0.00 -0.13 0.00 0.00 55.73 55.01 1jj2 s ARG 133 Cb 0.21 -0.05 -0.17 0.00 -1.56 0.00 0.00 34.95 33.38 1jj2 s ARG 133 CO -0.07 -0.04 -0.05 -0.25 -0.81 0.00 0.00 175.30 174.08 1jj2 n ASP 134 N 0.50 1.63 -4.87 -2.12 8.00 -1.26 -4.97 116.55 113.45 1jj2 n ASP 134 Ca -0.16 -0.05 -0.31 0.00 0.71 0.00 0.00 54.79 54.98 1jj2 n ASP 134 Cb 0.59 0.38 -0.05 0.00 -0.02 0.00 0.00 41.12 42.02 1jj2 n ASP 134 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1jj2 s GLU 135 N -2.40 3.82 -0.28 -1.24 2.02 -1.26 -4.74 118.70 114.62 1jj2 s GLU 135 Ca -0.16 0.36 -0.25 0.00 0.02 0.00 0.00 54.97 54.93 1jj2 s GLU 135 Cb 0.06 -2.56 0.14 0.00 0.10 0.00 0.00 34.13 31.87 1jj2 s GLU 135 CO 0.58 0.21 1.15 0.54 0.02 0.00 0.00 175.26 177.76 1jj2 s VAL 136 N -1.98 0.00 1.00 2.63 0.11 -1.26 -4.70 120.40 116.20 1jj2 s VAL 136 Ca 0.49 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.42 1jj2 s VAL 136 Cb -0.11 -1.00 0.19 0.00 -1.53 0.00 0.00 36.38 33.93 1jj2 s VAL 136 CO 0.23 0.00 1.09 -2.16 -3.33 0.00 0.00 175.10 170.93 1jj2 s PRO 137 N 0.13 0.42 -0.25 1.54 0.04 -1.17 -4.31 135.00 131.39 1jj2 s PRO 137 Ca 0.04 0.57 -0.22 0.00 0.04 0.00 0.00 61.00 61.44 1jj2 s PRO 137 Cb -0.05 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.75 1jj2 s PRO 137 CO -0.09 -2.75 0.72 0.08 0.04 0.00 0.00 177.00 175.00 1jj2 s VAL 138 N -2.93 4.92 -0.10 -0.36 1.01 -0.90 -4.94 120.40 117.10 1jj2 s VAL 138 Ca 0.65 1.32 -0.05 0.00 0.00 0.00 0.00 61.98 63.91 1jj2 s VAL 138 Cb -0.19 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1jj2 s VAL 138 CO 0.58 -0.02 0.07 -0.69 0.00 0.00 0.00 175.10 175.04 1jj2 s VAL 139 N 2.66 4.94 0.08 2.92 1.01 -1.26 -0.26 120.40 130.49 1jj2 s VAL 139 Ca 0.30 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.28 1jj2 s VAL 139 Cb -0.15 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1jj2 s VAL 139 CO 0.08 0.61 -0.05 -0.69 0.00 0.00 0.00 175.10 175.05 1jj2 s VAL 140 N -0.94 0.54 0.46 2.92 1.01 -0.97 -2.04 120.40 121.38 1jj2 s VAL 140 Ca 0.14 -1.90 -0.24 0.00 0.00 0.00 0.00 61.98 59.99 1jj2 s VAL 140 Cb -0.12 -1.64 -0.07 0.00 0.00 0.00 0.00 36.38 34.55 1jj2 s VAL 140 CO 0.03 -0.90 1.26 -0.94 0.00 0.00 0.00 175.10 174.55 1jj2 s SER 141 N -3.01 5.98 0.13 3.32 1.04 0.01 0.03 113.70 121.20 1jj2 s SER 141 Ca 0.11 2.54 0.06 0.00 0.48 0.00 0.00 55.95 59.14 1jj2 s SER 141 Cb 0.06 -2.62 0.35 0.00 0.10 0.00 0.00 66.02 63.91 1jj2 s SER 141 CO -0.06 -1.07 1.09 0.47 0.98 0.00 0.00 173.24 174.65 1jj2 n ASP 142 N -0.43 0.17 0.30 7.02 8.00 -1.26 -1.04 116.55 129.31 1jj2 n ASP 142 Ca 0.07 0.47 0.19 0.00 0.71 0.00 0.00 54.79 56.23 1jj2 n ASP 142 Cb 0.46 -0.47 0.93 0.00 -0.02 0.00 0.00 41.12 42.02 1jj2 n ASP 142 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1jj2 h ASP 143 N 0.00 0.00 -0.79 -2.24 3.32 -1.97 -2.03 116.42 112.71 1jj2 h ASP 143 Ca 0.00 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.19 1jj2 h ASP 143 Cb 0.31 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.80 1jj2 h ASP 143 CO 0.00 0.02 0.52 0.15 -1.72 0.00 0.00 179.24 178.21 1jj2 h PHE 144 N 0.00 0.60 0.00 4.55 3.57 -1.45 0.98 116.94 125.19 1jj2 h PHE 144 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1jj2 h PHE 144 Cb 0.25 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1jj2 h PHE 144 CO 0.00 0.23 0.00 0.39 -2.23 0.00 0.00 178.31 176.70 1jj2 n GLU 145 N -4.50 0.05 -0.00 1.11 1.02 -0.76 -1.79 120.64 115.76 1jj2 n GLU 145 Ca 0.15 0.30 0.10 0.00 -0.02 0.00 0.00 57.16 57.69 1jj2 n GLU 145 Cb 0.49 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.29 1jj2 n GLU 145 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1jj2 n ASP 146 N -1.40 0.97 -4.69 1.62 8.00 0.34 -4.96 116.55 116.43 1jj2 n ASP 146 Ca 0.03 -0.97 -0.37 0.00 0.71 0.00 0.00 54.79 54.19 1jj2 n ASP 146 Cb 0.07 1.03 0.07 0.00 -0.02 0.00 0.00 41.12 42.27 1jj2 n ASP 146 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1jj2 n LEU 147 N -1.52 5.24 0.00 0.64 4.77 -0.74 -4.93 117.00 120.46 1jj2 n LEU 147 Ca 0.04 0.81 0.00 0.00 -0.03 0.00 0.00 56.01 56.82 1jj2 n LEU 147 Cb 0.34 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 1jj2 n LEU 147 CO 0.43 -1.32 -0.37 0.52 -1.33 0.00 0.00 177.39 175.32 1jj2 n VAL 148 N -1.94 0.00 -3.40 4.08 0.31 -1.26 -4.54 118.33 111.58 1jj2 n VAL 148 Ca 0.15 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.10 1jj2 n VAL 148 Cb 0.48 -0.51 -0.06 0.00 -0.91 0.00 0.00 33.84 32.84 1jj2 n VAL 148 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1jj2 s LYS 149 N -1.75 4.13 0.14 5.55 -0.14 -1.26 -4.35 119.74 122.06 1jj2 s LYS 149 Ca 0.00 0.45 -0.18 0.00 -1.36 0.00 0.00 55.97 54.88 1jj2 s LYS 149 Cb 0.00 -3.31 -0.00 0.00 -1.68 0.00 0.00 37.83 32.83 1jj2 s LYS 149 CO 0.00 0.46 1.76 1.15 -0.76 0.00 0.00 175.35 177.96 1jj2 h THR 150 N 4.12 0.95 -1.00 2.17 2.02 -1.91 -2.13 112.91 117.13 1jj2 h THR 150 Ca -0.47 -0.08 0.24 0.00 0.77 0.00 0.00 66.41 66.87 1jj2 h THR 150 Cb 1.20 0.69 -0.12 0.00 -1.74 0.00 0.00 68.15 68.17 1jj2 h THR 150 CO 0.68 0.04 0.59 1.56 0.37 0.00 0.00 175.52 178.76 1jj2 h GLN 151 N 0.24 0.56 -0.37 6.66 1.08 -1.94 0.19 115.11 121.52 1jj2 h GLN 151 Ca 0.12 -0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.20 1jj2 h GLN 151 Cb 0.07 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 1jj2 h GLN 151 CO -0.11 0.37 -0.13 0.93 -0.95 0.00 0.00 178.83 178.95 1jj2 h GLU 152 N 0.58 0.67 0.00 1.46 5.08 -1.77 -1.43 114.58 119.17 1jj2 h GLU 152 Ca 0.64 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.72 1jj2 h GLU 152 Cb 1.22 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1jj2 h GLU 152 CO -0.48 0.77 -0.33 0.28 -1.00 0.00 0.00 179.01 178.25 1jj2 h VAL 153 N 0.61 1.08 0.82 3.13 2.07 -0.56 -2.43 116.25 120.97 1jj2 h VAL 153 Ca 0.10 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 1jj2 h VAL 153 Cb 0.57 1.67 0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1jj2 h VAL 153 CO 0.04 0.32 -0.39 0.58 0.02 0.00 0.00 177.57 178.14 1jj2 h VAL 154 N 0.00 0.07 -0.52 2.57 2.07 -0.22 -1.14 116.25 119.08 1jj2 h VAL 154 Ca -0.00 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 67.47 1jj2 h VAL 154 Cb 0.65 0.08 -0.10 0.00 -1.52 0.00 0.00 31.29 30.40 1jj2 h VAL 154 CO 0.04 0.01 -0.16 0.28 0.02 0.00 0.00 177.57 177.76 1jj2 h SER 155 N -1.24 -0.59 -0.80 0.57 0.02 -1.24 0.15 113.55 110.41 1jj2 h SER 155 Ca -0.11 0.17 0.10 0.00 -0.84 0.00 0.00 61.79 61.11 1jj2 h SER 155 Cb 0.85 0.36 -0.08 0.00 0.14 0.00 0.00 62.40 63.68 1jj2 h SER 155 CO 0.18 -0.20 0.44 0.25 -1.14 0.00 0.00 176.83 176.36 1jj2 h LEU 156 N -0.04 0.61 -0.65 5.07 5.85 -1.39 0.60 115.31 125.36 1jj2 h LEU 156 Ca 0.25 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.92 1jj2 h LEU 156 Cb 0.42 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1jj2 h LEU 156 CO -0.56 0.34 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.69 1jj2 h LEU 157 N 0.72 0.94 -1.07 2.25 3.38 0.43 -0.84 115.31 121.12 1jj2 h LEU 157 Ca 0.39 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1jj2 h LEU 157 Cb 0.40 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1jj2 h LEU 157 CO -0.27 1.06 -0.32 -0.33 0.09 0.00 0.00 178.44 178.67 1jj2 h GLU 158 N 0.84 0.26 0.00 1.13 5.08 0.02 -1.07 114.58 120.83 1jj2 h GLU 158 Ca 0.13 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1jj2 h GLU 158 Cb 0.66 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1jj2 h GLU 158 CO 0.05 0.55 -0.61 0.00 -1.00 0.00 0.00 179.01 178.00 1jj2 h ALA 159 N 1.45 0.91 -0.26 3.43 0.00 -0.55 -2.68 119.26 121.55 1jj2 h ALA 159 Ca 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1jj2 h ALA 159 Cb 0.68 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1jj2 h ALA 159 CO 0.05 0.77 0.00 1.28 0.00 0.00 0.00 179.25 181.35 1jj2 n LEU 160 N -3.70 1.90 -3.78 0.00 4.77 -0.35 -4.91 117.00 110.93 1jj2 n LEU 160 Ca -0.01 -0.86 -0.27 0.00 -0.03 0.00 0.00 56.01 54.84 1jj2 n LEU 160 Cb 0.63 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.60 1jj2 n LEU 160 CO 0.42 0.43 0.16 0.47 -1.33 0.00 0.00 177.39 177.54 1jj2 n ASP 161 N 0.49 -5.35 0.00 -1.43 8.00 -0.80 -4.83 116.55 112.62 1jj2 n ASP 161 Ca 0.15 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.97 1jj2 n ASP 161 Cb 0.34 -4.37 0.00 0.00 -0.02 0.00 0.00 41.12 37.07 1jj2 n ASP 161 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1jj2 n VAL 162 N -4.81 0.00 0.30 2.53 0.31 -0.47 -1.86 118.33 114.33 1jj2 n VAL 162 Ca 0.02 -0.36 0.16 0.00 -0.01 0.00 0.00 64.34 64.15 1jj2 n VAL 162 Cb 0.54 1.10 0.95 0.00 -0.91 0.00 0.00 33.84 35.52 1jj2 n VAL 162 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1jj2 h HIS 163 N 0.00 0.00 -0.40 3.52 6.17 -1.83 -2.55 115.15 120.05 1jj2 h HIS 163 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 60.37 61.20 1jj2 h HIS 163 Cb 0.05 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 29.96 1jj2 h HIS 163 CO 0.00 0.01 0.30 0.00 0.71 0.00 0.00 177.93 178.95 1jj2 h ALA 164 N 1.99 2.34 -0.43 5.26 0.00 -1.86 -0.76 119.26 125.80 1jj2 h ALA 164 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1jj2 h ALA 164 Cb 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1jj2 h ALA 164 CO 0.00 -0.51 -0.24 0.22 0.00 0.00 0.00 179.25 178.72 1jj2 h ASP 165 N 0.00 0.92 0.20 0.00 3.58 -0.94 -1.34 116.42 118.84 1jj2 h ASP 165 Ca 0.19 -0.35 -0.09 0.00 0.42 0.00 0.00 57.03 57.20 1jj2 h ASP 165 Cb 0.79 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 1jj2 h ASP 165 CO -0.00 1.11 -0.34 0.40 -2.88 0.00 0.00 179.24 177.53 1jj2 h ILE 166 N 0.77 1.27 -0.80 2.25 2.04 -1.33 -1.02 117.51 120.69 1jj2 h ILE 166 Ca 0.10 -1.31 -0.03 0.00 1.00 0.00 0.00 64.86 64.62 1jj2 h ILE 166 Cb 0.79 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 38.41 1jj2 h ILE 166 CO 0.07 0.39 0.39 0.44 0.00 0.00 0.00 178.15 179.44 1jj2 h ASP 167 N 0.18 1.04 0.21 1.72 3.45 -0.79 -1.26 116.42 120.96 1jj2 h ASP 167 Ca 0.02 -0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.35 1jj2 h ASP 167 Cb 0.69 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 39.19 1jj2 h ASP 167 CO 0.05 0.88 -0.10 -0.09 -1.57 0.00 0.00 179.24 178.41 1jj2 h ARG 168 N 1.14 -0.27 0.00 3.56 2.43 -0.15 -2.57 114.38 118.52 1jj2 h ARG 168 Ca 0.28 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1jj2 h ARG 168 Cb 0.11 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1jj2 h ARG 168 CO -0.04 -0.11 0.00 0.00 -1.51 0.00 0.00 179.97 178.31 1jj2 n ALA 169 N -2.26 2.04 -1.34 2.80 0.00 -0.50 -3.87 120.51 117.37 1jj2 n ALA 169 Ca -0.09 -0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.02 1jj2 n ALA 169 Cb 0.17 -1.28 -0.09 0.00 0.00 0.00 0.00 19.45 18.24 1jj2 n ALA 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jj2 n ASP 170 N -1.15 6.20 -3.47 0.00 4.64 -0.51 -4.35 116.55 117.92 1jj2 n ASP 170 Ca 0.11 -2.93 -0.05 0.00 -1.38 0.00 0.00 54.79 50.54 1jj2 n ASP 170 Cb 0.10 -1.31 -0.06 0.00 -1.04 0.00 0.00 41.12 38.80 1jj2 n ASP 170 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1jj2 s GLU 171 N -0.62 0.43 0.27 -0.67 2.02 -1.25 -5.04 118.70 113.83 1jj2 s GLU 171 Ca 0.62 0.97 -0.08 0.00 0.02 0.00 0.00 54.97 56.50 1jj2 s GLU 171 Cb 0.34 0.25 -0.06 0.00 0.10 0.00 0.00 34.13 34.77 1jj2 s GLU 171 CO -0.13 -0.43 0.57 0.95 0.02 0.00 0.00 175.26 176.24 1jj2 s THR 172 N 2.70 4.95 -0.12 3.63 -4.23 -1.26 -4.36 115.64 116.95 1jj2 s THR 172 Ca 0.06 0.32 0.01 0.00 -1.18 0.00 0.00 61.69 60.91 1jj2 s THR 172 Cb -0.14 -3.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.02 1jj2 s THR 172 CO -0.16 -0.21 -0.16 -0.75 -0.54 0.00 0.00 174.62 172.79 1jj2 s LYS 173 N -3.20 3.26 -0.63 3.99 2.20 0.99 -4.96 119.74 121.38 1jj2 s LYS 173 Ca 0.46 -0.73 -0.19 0.00 -0.36 0.00 0.00 55.97 55.15 1jj2 s LYS 173 Cb -0.11 -2.54 0.10 0.00 -1.51 0.00 0.00 37.83 33.78 1jj2 s LYS 173 CO 0.26 0.23 0.78 0.42 -0.36 0.00 0.00 175.35 176.67 1jj2 s ILE 174 N 0.29 4.75 0.51 5.43 1.01 -1.26 -2.05 121.20 129.89 1jj2 s ILE 174 Ca -0.12 -0.97 -0.20 0.00 0.00 0.00 0.00 60.65 59.36 1jj2 s ILE 174 Cb -0.16 -4.54 -0.09 0.00 0.01 0.00 0.00 42.46 37.67 1jj2 s ILE 174 CO 0.06 -1.21 0.67 0.29 0.00 0.00 0.00 174.94 174.76 1jj2 n LYS 175 N 6.51 0.72 -2.96 2.79 5.02 -0.66 -5.00 118.16 124.58 1jj2 n LYS 175 Ca -0.06 0.27 -0.36 0.00 -2.02 0.00 0.00 58.31 56.14 1jj2 n LYS 175 Cb 0.43 -1.78 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 1jj2 n LYS 175 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jj2 s ALA 176 N -1.56 3.31 0.00 7.82 0.00 -1.26 -4.90 121.76 125.17 1jj2 s ALA 176 Ca 0.67 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1jj2 s ALA 176 Cb -0.50 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1jj2 s ALA 176 CO 0.55 0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.97 1jj2 n GLY 177 N 0.53 1.60 0.00 0.00 0.00 -1.26 -4.74 105.19 101.32 1jj2 n GLY 177 Ca 0.00 -2.08 0.06 0.00 0.00 0.00 0.00 46.02 44.00 1jj2 n GLY 177 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jj2 n GLN 178 N 0.70 0.95 0.28 1.61 6.02 -1.26 -3.47 117.38 122.21 1jj2 n GLN 178 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1jj2 n GLN 178 Cb 0.00 -1.20 0.77 0.00 1.02 0.00 0.00 30.24 30.84 1jj2 n GLN 178 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1jj2 h GLY 179 N 5.31 0.00 0.69 1.08 0.00 -1.85 -0.45 103.07 107.85 1jj2 h GLY 179 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.47 1jj2 h GLY 179 CO 0.00 0.00 0.52 0.23 0.00 0.00 0.00 176.54 177.29 1jj2 h SER 180 N 0.00 0.49 1.13 0.19 0.87 -1.64 0.84 113.55 115.42 1jj2 h SER 180 Ca -0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1jj2 h SER 180 Cb 0.07 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1jj2 h SER 180 CO 0.00 0.26 0.00 0.00 -0.53 0.00 0.00 176.83 176.57 1jj2 n ALA 181 N -2.49 2.20 -0.79 6.23 0.00 -0.18 -3.13 120.51 122.36 1jj2 n ALA 181 Ca 0.15 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.61 1jj2 n ALA 181 Cb 0.47 -1.44 0.22 0.00 0.00 0.00 0.00 19.45 18.70 1jj2 n ALA 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jj2 n ARG 182 N -1.87 2.83 -0.49 0.00 1.74 0.01 -4.95 116.66 113.92 1jj2 n ARG 182 Ca 0.06 -2.62 0.00 0.00 -0.77 0.00 0.00 57.85 54.52 1jj2 n ARG 182 Cb 0.35 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1jj2 n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jj2 n GLY 183 N -0.32 0.75 2.70 -0.13 0.00 -1.06 -4.97 105.19 102.15 1jj2 n GLY 183 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1jj2 n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jj2 n ARG 184 N -2.44 3.20 -0.08 1.61 1.74 0.08 -4.76 116.66 116.00 1jj2 n ARG 184 Ca 0.00 -4.10 -0.14 0.00 -0.77 0.00 0.00 57.85 52.84 1jj2 n ARG 184 Cb 0.00 -2.27 -0.05 0.00 -1.02 0.00 0.00 32.46 29.13 1jj2 n ARG 184 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1jj2 h LYS 185 N 2.84 0.67 -6.19 5.56 3.64 -1.79 -3.31 116.57 118.00 1jj2 h LYS 185 Ca 0.42 -0.38 -0.51 0.00 -1.27 0.00 0.00 60.65 58.92 1jj2 h LYS 185 Cb 0.49 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.28 1jj2 h LYS 185 CO 1.12 0.99 -0.51 0.71 -2.27 0.00 0.00 179.45 179.48 1jj2 s TYR 186 N -4.28 3.01 -0.04 1.91 1.51 -1.26 -1.66 117.35 116.54 1jj2 s TYR 186 Ca -0.12 -0.18 -0.30 0.00 -1.01 0.00 0.00 57.07 55.45 1jj2 s TYR 186 Cb 0.08 -1.50 0.07 0.00 -0.11 0.00 0.00 41.96 40.50 1jj2 s TYR 186 CO 0.83 0.43 0.67 -0.98 -1.11 0.00 0.00 175.55 175.38 1jj2 s ARG 187 N -3.87 1.05 0.07 -0.62 1.04 -0.87 -4.92 118.95 110.82 1jj2 s ARG 187 Ca 0.35 0.23 -0.14 0.00 -1.04 0.00 0.00 55.73 55.13 1jj2 s ARG 187 Cb -0.07 0.50 0.02 0.00 -2.04 0.00 0.00 34.95 33.36 1jj2 s ARG 187 CO 0.25 -0.33 0.33 -0.98 -0.04 0.00 0.00 175.30 174.52 1jj2 s ARG 188 N -1.26 0.89 0.75 3.89 1.70 -1.26 -0.00 118.95 123.65 1jj2 s ARG 188 Ca -0.11 -0.59 -0.15 0.00 -0.47 0.00 0.00 55.73 54.41 1jj2 s ARG 188 Cb -0.00 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.77 1jj2 s ARG 188 CO 0.09 -0.30 0.81 -2.30 -1.08 0.00 0.00 175.30 172.52 1jj2 n PRO 189 N 0.31 0.34 -3.57 3.89 -0.02 -1.26 -4.98 135.00 129.71 1jj2 n PRO 189 Ca -0.18 0.17 -0.36 0.00 -2.02 0.00 0.00 63.50 61.11 1jj2 n PRO 189 Cb 0.61 -2.09 -0.07 0.00 -0.02 0.00 0.00 33.50 31.92 1jj2 n PRO 189 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jj2 s ALA 190 N -1.93 3.61 0.00 3.55 0.00 -1.26 -4.39 121.76 121.34 1jj2 s ALA 190 Ca 0.70 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1jj2 s ALA 190 Cb -0.33 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.43 1jj2 s ALA 190 CO 0.54 0.06 0.00 -1.13 0.00 0.00 0.00 175.76 175.23 1jj2 n SER 191 N 3.68 0.00 -4.74 0.00 3.41 0.16 -4.94 113.62 111.19 1jj2 n SER 191 Ca -0.13 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.08 1jj2 n SER 191 Cb 0.52 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 1jj2 n SER 191 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1jj2 s ILE 192 N 3.30 4.25 -0.20 -1.33 1.01 -1.26 -4.55 121.20 122.42 1jj2 s ILE 192 Ca 0.00 2.06 -0.09 0.00 0.00 0.00 0.00 60.65 62.62 1jj2 s ILE 192 Cb 0.00 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 1jj2 s ILE 192 CO 0.00 0.41 0.11 -0.22 0.00 0.00 0.00 174.94 175.24 1jj2 s LEU 193 N -0.65 4.10 -0.28 2.97 2.96 -0.92 -1.87 118.68 125.00 1jj2 s LEU 193 Ca 0.44 0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 54.49 1jj2 s LEU 193 Cb -0.25 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.40 1jj2 s LEU 193 CO 0.31 0.18 0.03 -0.36 -1.32 0.00 0.00 176.35 175.19 1jj2 s PHE 194 N 0.37 3.12 -0.33 5.38 0.40 0.13 -1.65 117.98 125.40 1jj2 s PHE 194 Ca 0.07 -1.16 -0.10 0.00 -0.60 0.00 0.00 56.93 55.15 1jj2 s PHE 194 Cb -0.11 -2.19 0.01 0.00 0.51 0.00 0.00 43.02 41.24 1jj2 s PHE 194 CO -0.01 -0.62 0.16 0.08 0.70 0.00 0.00 175.22 175.53 1jj2 s VAL 195 N 1.44 4.50 0.00 -0.44 1.01 -0.49 -0.62 120.40 125.80 1jj2 s VAL 195 Ca 0.02 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1jj2 s VAL 195 Cb -0.17 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1jj2 s VAL 195 CO 0.00 -0.03 0.00 0.35 0.00 0.00 0.00 175.10 175.42 1jj2 n THR 196 N 4.97 0.00 0.00 3.92 -2.24 -0.50 -2.04 114.28 118.39 1jj2 n THR 196 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1jj2 n THR 196 Cb 0.48 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1jj2 n THR 196 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1jj2 n SER 197 N -1.34 2.50 -0.03 3.42 2.88 -1.26 -1.49 113.62 118.29 1jj2 n SER 197 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1jj2 n SER 197 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1jj2 n SER 197 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1jj2 h ASP 198 N 0.00 0.22 -5.02 -3.46 3.32 -1.99 -3.43 116.42 106.06 1jj2 h ASP 198 Ca 0.00 -0.78 -0.09 0.00 0.02 0.00 0.00 57.03 56.18 1jj2 h ASP 198 Cb 0.91 -0.07 -0.18 0.00 0.22 0.00 0.00 39.33 40.21 1jj2 h ASP 198 CO 0.00 1.50 -0.14 -1.61 -1.72 0.00 0.00 179.24 177.28 1jj2 s GLU 199 N -2.41 0.84 0.57 3.56 2.02 -1.26 -5.11 118.70 116.91 1jj2 s GLU 199 Ca -0.22 -0.23 -0.20 0.00 0.02 0.00 0.00 54.97 54.33 1jj2 s GLU 199 Cb 0.04 0.38 -0.04 0.00 0.10 0.00 0.00 34.13 34.60 1jj2 s GLU 199 CO 0.71 -0.27 1.24 -2.30 0.02 0.00 0.00 175.26 174.66 1jj2 n PRO 200 N 0.83 1.37 -2.03 0.39 -0.02 -1.26 -4.74 135.00 129.53 1jj2 n PRO 200 Ca -0.20 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.38 1jj2 n PRO 200 Cb 0.58 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 1jj2 n PRO 200 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jj2 s SER 201 N -1.07 5.70 0.37 2.55 0.15 -1.26 -4.83 113.70 115.31 1jj2 s SER 201 Ca 0.74 0.95 0.11 0.00 0.70 0.00 0.00 55.95 58.45 1jj2 s SER 201 Cb -0.42 -2.53 0.74 0.00 -1.71 0.00 0.00 66.02 62.10 1jj2 s SER 201 CO 0.47 -1.92 1.86 0.74 1.20 0.00 0.00 173.24 175.59 1jj2 h THR 202 N 6.82 1.22 0.00 6.45 2.02 -1.89 -1.63 112.91 125.90 1jj2 h THR 202 Ca -0.30 -1.04 -0.08 0.00 0.77 0.00 0.00 66.41 65.75 1jj2 h THR 202 Cb 1.16 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 1jj2 h THR 202 CO 1.10 0.31 -0.36 0.00 0.37 0.00 0.00 175.52 176.94 1jj2 h ALA 203 N 1.62 0.95 0.00 6.16 0.00 -1.80 -3.30 119.26 122.89 1jj2 h ALA 203 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1jj2 h ALA 203 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jj2 h ALA 203 CO 0.04 0.45 -1.86 0.00 0.00 0.00 0.00 179.25 177.88 1jj2 n ALA 204 N -2.27 2.76 -0.35 0.00 0.00 -1.04 -3.47 120.51 116.13 1jj2 n ALA 204 Ca 0.00 -0.46 0.10 0.00 0.00 0.00 0.00 53.44 53.08 1jj2 n ALA 204 Cb 0.52 -0.66 0.28 0.00 0.00 0.00 0.00 19.45 19.59 1jj2 n ALA 204 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1jj2 h ARG 205 N 0.00 0.82 0.00 0.00 0.11 -1.39 -1.64 114.38 112.28 1jj2 h ARG 205 Ca 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1jj2 h ARG 205 Cb 0.87 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.77 1jj2 h ARG 205 CO 0.00 0.54 0.00 -1.71 0.10 0.00 0.00 179.97 178.90 1jj2 n ASN 206 N -4.72 0.00 -4.75 0.08 5.15 -1.26 -4.65 115.26 105.10 1jj2 n ASN 206 Ca 0.21 -1.17 -0.41 0.00 -0.60 0.00 0.00 54.58 52.61 1jj2 n ASN 206 Cb 0.47 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.70 1jj2 n ASN 206 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1jj2 s LEU 207 N -1.80 4.41 -0.33 1.20 1.43 -0.62 -4.86 118.68 118.12 1jj2 s LEU 207 Ca 0.37 2.60 -0.43 0.00 -1.03 0.00 0.00 54.13 55.64 1jj2 s LEU 207 Cb 0.17 -3.63 -0.18 0.00 0.03 0.00 0.00 46.19 42.58 1jj2 s LEU 207 CO 0.29 -0.58 1.63 0.00 0.23 0.00 0.00 176.35 177.92 1jj2 n ALA 208 N 1.76 -0.89 -0.79 4.21 0.00 -1.26 -0.44 120.51 123.10 1jj2 n ALA 208 Ca 0.04 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1jj2 n ALA 208 Cb 0.42 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1jj2 n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jj2 n GLY 209 N 3.88 0.41 3.82 0.00 0.00 -1.26 -4.55 105.19 107.49 1jj2 n GLY 209 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 1jj2 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jj2 s ALA 210 N -2.20 3.10 -0.00 4.61 0.00 0.41 0.40 121.76 128.08 1jj2 s ALA 210 Ca 0.00 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.33 1jj2 s ALA 210 Cb 0.00 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 1jj2 s ALA 210 CO 0.00 0.17 -0.12 -0.51 0.00 0.00 0.00 175.76 175.30 1jj2 s ASP 211 N -2.18 1.41 0.06 0.00 1.01 -0.78 -4.84 116.67 111.35 1jj2 s ASP 211 Ca 0.60 -0.25 0.05 0.00 0.71 0.00 0.00 52.55 53.67 1jj2 s ASP 211 Cb -0.09 -0.15 -0.04 0.00 1.01 0.00 0.00 42.92 43.65 1jj2 s ASP 211 CO 0.14 0.13 -0.08 0.68 0.21 0.00 0.00 175.17 176.25 1jj2 s VAL 212 N -0.36 3.52 0.28 -1.27 -7.23 -1.26 -0.70 120.40 113.39 1jj2 s VAL 212 Ca 0.04 -1.04 -0.11 0.00 -1.81 0.00 0.00 61.98 59.06 1jj2 s VAL 212 Cb -0.05 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.30 1jj2 s VAL 212 CO -0.00 0.24 0.52 0.00 -0.31 0.00 0.00 175.10 175.54 1jj2 s ALA 213 N -1.12 -0.10 0.07 1.32 0.00 0.21 -4.90 121.76 117.23 1jj2 s ALA 213 Ca 0.20 -0.99 0.09 0.00 0.00 0.00 0.00 51.96 51.26 1jj2 s ALA 213 Cb -0.11 1.04 -0.03 0.00 0.00 0.00 0.00 23.12 24.02 1jj2 s ALA 213 CO 0.11 -0.86 -0.23 0.99 0.00 0.00 0.00 175.76 175.77 1jj2 s THR 214 N -3.62 1.88 0.27 0.00 2.01 -1.26 -1.41 115.64 113.51 1jj2 s THR 214 Ca 0.23 -1.41 -0.01 0.00 0.31 0.00 0.00 61.69 60.81 1jj2 s THR 214 Cb -0.01 -1.65 0.27 0.00 0.01 0.00 0.00 72.50 71.11 1jj2 s THR 214 CO 0.12 0.17 1.84 0.00 -0.69 0.00 0.00 174.62 176.06 1jj2 h ALA 215 N 4.52 1.41 0.00 7.40 0.00 -1.54 0.90 119.26 131.95 1jj2 h ALA 215 Ca -0.46 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1jj2 h ALA 215 Cb 1.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1jj2 h ALA 215 CO 0.42 0.26 -0.24 0.66 0.00 0.00 0.00 179.25 180.35 1jj2 h SER 216 N 1.00 0.00 0.00 0.00 4.64 -1.89 -3.32 113.55 113.98 1jj2 h SER 216 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1jj2 h SER 216 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1jj2 h SER 216 CO -0.24 0.24 -0.06 -1.84 -0.87 0.00 0.00 176.83 174.06 1jj2 n GLU 217 N -3.75 1.44 -1.88 4.77 0.28 -1.01 -5.06 120.64 115.43 1jj2 n GLU 217 Ca -0.01 -1.28 -0.41 0.00 -0.16 0.00 0.00 57.16 55.30 1jj2 n GLU 217 Cb 0.34 -0.85 -0.01 0.00 1.43 0.00 0.00 31.44 32.35 1jj2 n GLU 217 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1jj2 s VAL 218 N -0.83 2.26 0.37 3.84 0.11 0.28 -4.89 120.40 121.54 1jj2 s VAL 218 Ca 0.05 0.24 0.01 0.00 -2.93 0.00 0.00 61.98 59.34 1jj2 s VAL 218 Cb 0.04 -3.15 0.01 0.00 -1.53 0.00 0.00 36.38 31.74 1jj2 s VAL 218 CO 0.00 0.05 0.05 -0.46 -3.33 0.00 0.00 175.10 171.41 1jj2 n ASN 219 N 1.50 2.90 -0.36 3.54 0.23 -1.26 -5.03 115.26 116.77 1jj2 n ASN 219 Ca 0.05 -2.57 -0.02 0.00 -0.53 0.00 0.00 54.58 51.50 1jj2 n ASN 219 Cb 0.39 0.21 0.11 0.00 -2.08 0.00 0.00 39.78 38.41 1jj2 n ASN 219 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1jj2 h THR 220 N 1.09 1.23 0.03 5.53 2.02 -1.91 -2.01 112.91 118.89 1jj2 h THR 220 Ca -0.30 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 1jj2 h THR 220 Cb 0.93 -0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1jj2 h THR 220 CO 0.49 0.24 -0.01 -0.33 0.37 0.00 0.00 175.52 176.27 1jj2 h GLU 221 N 1.30 -0.04 0.00 6.66 5.08 -1.92 0.80 114.58 126.46 1jj2 h GLU 221 Ca 0.36 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.65 1jj2 h GLU 221 Cb -0.12 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1jj2 h GLU 221 CO -0.09 0.04 -0.35 0.38 -1.00 0.00 0.00 179.01 177.99 1jj2 h ASP 222 N -0.11 0.00 1.02 1.42 3.04 -1.95 0.67 116.42 120.51 1jj2 h ASP 222 Ca -0.00 0.00 -0.21 0.00 -3.24 0.00 0.00 57.03 53.58 1jj2 h ASP 222 Cb 0.09 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.35 1jj2 h ASP 222 CO 0.01 0.35 -0.99 -0.07 -2.04 0.00 0.00 179.24 176.50 1jj2 h LEU 223 N 0.00 0.00 -5.76 0.15 4.07 -1.09 -3.40 115.31 109.28 1jj2 h LEU 223 Ca -0.00 0.00 -0.48 0.00 0.08 0.00 0.00 57.88 57.48 1jj2 h LEU 223 Cb 0.71 0.00 -0.33 0.00 1.08 0.00 0.00 40.66 42.12 1jj2 h LEU 223 CO 0.05 0.97 -0.96 0.00 -1.08 0.00 0.00 178.44 177.41 1jj2 n ALA 224 N -2.35 1.51 -1.58 1.53 0.00 0.28 -3.53 120.51 116.37 1jj2 n ALA 224 Ca -0.00 -2.92 -0.49 0.00 0.00 0.00 0.00 53.44 50.03 1jj2 n ALA 224 Cb 0.93 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 19.40 1jj2 n ALA 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jj2 n PRO 225 N 1.46 1.14 -1.39 0.00 -0.04 0.20 -0.46 135.00 135.91 1jj2 n PRO 225 Ca 0.18 0.41 -0.13 0.00 -0.04 0.00 0.00 63.50 63.91 1jj2 n PRO 225 Cb 0.55 -1.90 -0.06 0.00 -0.04 0.00 0.00 33.50 32.06 1jj2 n PRO 225 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jj2 n GLY 226 N 2.00 1.35 3.02 0.55 0.00 -1.26 -2.22 105.19 108.63 1jj2 n GLY 226 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1jj2 n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jj2 n GLY 227 N -0.68 0.97 3.62 -0.02 0.00 0.39 -5.01 105.19 104.45 1jj2 n GLY 227 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 1jj2 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jj2 s ALA 228 N -3.90 3.58 0.68 4.61 0.00 -0.94 -4.18 121.76 121.60 1jj2 s ALA 228 Ca 0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 51.96 51.34 1jj2 s ALA 228 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 20.02 1jj2 s ALA 228 CO 0.00 -0.96 1.08 -2.14 0.00 0.00 0.00 175.76 173.75 1jj2 s PRO 229 N 2.61 2.83 0.00 0.00 0.02 -1.26 -4.04 135.00 135.16 1jj2 s PRO 229 Ca 0.27 1.20 0.00 0.00 0.02 0.00 0.00 61.00 62.49 1jj2 s PRO 229 Cb -0.15 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1jj2 s PRO 229 CO 0.10 -1.20 0.00 0.41 -0.33 0.00 0.00 177.00 175.98 1jj2 n GLY 230 N -1.09 0.61 3.77 0.52 0.00 -1.26 -4.69 105.19 103.05 1jj2 n GLY 230 Ca 0.09 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 1jj2 n GLY 230 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jj2 s ARG 231 N -1.80 4.46 -0.35 1.61 3.52 -1.23 -3.96 118.95 121.20 1jj2 s ARG 231 Ca 0.00 1.01 -0.28 0.00 -0.13 0.00 0.00 55.73 56.33 1jj2 s ARG 231 Cb 0.00 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 1jj2 s ARG 231 CO 0.00 0.46 2.02 -1.17 -0.81 0.00 0.00 175.30 175.80 1jj2 s LEU 232 N -0.65 3.45 0.28 -0.88 2.96 -1.26 -4.77 118.68 117.82 1jj2 s LEU 232 Ca 0.35 1.34 0.10 0.00 -0.22 0.00 0.00 54.13 55.70 1jj2 s LEU 232 Cb -0.21 -3.26 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 1jj2 s LEU 232 CO 0.23 -2.02 -0.00 -0.89 -1.32 0.00 0.00 176.35 172.34 1jj2 s THR 233 N 8.30 3.22 -0.18 3.68 2.01 -1.26 -2.16 115.64 129.25 1jj2 s THR 233 Ca 0.87 -1.94 -0.05 0.00 0.31 0.00 0.00 61.69 60.88 1jj2 s THR 233 Cb -0.24 -2.80 0.06 0.00 0.01 0.00 0.00 72.50 69.53 1jj2 s THR 233 CO 0.32 -0.34 0.09 0.54 -0.69 0.00 0.00 174.62 174.54 1jj2 s VAL 234 N -2.37 -0.02 0.71 3.82 0.11 -0.66 -2.11 120.40 119.88 1jj2 s VAL 234 Ca 0.32 -0.25 -0.02 0.00 -2.93 0.00 0.00 61.98 59.10 1jj2 s VAL 234 Cb -0.05 -0.65 0.11 0.00 -1.53 0.00 0.00 36.38 34.26 1jj2 s VAL 234 CO 0.20 -0.31 0.99 -0.36 -3.33 0.00 0.00 175.10 172.29 1jj2 s PHE 235 N 2.11 1.87 0.03 1.54 0.40 0.64 -1.40 117.98 123.18 1jj2 s PHE 235 Ca 0.02 -0.14 0.06 0.00 -0.60 0.00 0.00 56.93 56.27 1jj2 s PHE 235 Cb -0.16 -3.05 -0.03 0.00 0.51 0.00 0.00 43.02 40.28 1jj2 s PHE 235 CO -0.11 -1.63 -0.14 -0.08 0.70 0.00 0.00 175.22 173.96 1jj2 s THR 236 N -3.15 3.11 0.13 0.64 -1.32 -0.87 -2.30 115.64 111.89 1jj2 s THR 236 Ca 0.65 -1.05 -0.22 0.00 -1.21 0.00 0.00 61.69 59.86 1jj2 s THR 236 Cb -0.06 -2.34 -0.01 0.00 -1.51 0.00 0.00 72.50 68.58 1jj2 s THR 236 CO 0.44 0.34 1.17 1.21 -2.21 0.00 0.00 174.62 175.58 1jj2 n GLU 237 N 1.50 -0.31 -0.13 7.08 4.07 0.10 0.14 120.64 133.10 1jj2 n GLU 237 Ca -0.16 1.15 -0.11 0.00 -0.06 0.00 0.00 57.16 57.99 1jj2 n GLU 237 Cb 0.52 -1.70 -0.02 0.00 -0.06 0.00 0.00 31.44 30.18 1jj2 n GLU 237 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1jj2 h SER 238 N 0.00 0.73 -0.18 4.31 0.02 -1.95 -2.71 113.55 113.77 1jj2 h SER 238 Ca 0.15 -0.36 0.05 0.00 -0.84 0.00 0.00 61.79 60.79 1jj2 h SER 238 Cb 0.34 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.62 1jj2 h SER 238 CO -0.72 0.92 -0.22 0.00 -1.14 0.00 0.00 176.83 175.67 1jj2 h ALA 239 N 0.84 -0.14 -0.93 3.77 0.00 -0.33 0.50 119.26 122.96 1jj2 h ALA 239 Ca 0.10 0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.27 1jj2 h ALA 239 Cb 0.59 0.44 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 1jj2 h ALA 239 CO 0.04 -0.66 0.50 1.25 0.00 0.00 0.00 179.25 180.38 1jj2 h LEU 240 N -0.25 0.57 -0.54 0.00 6.46 0.14 -0.10 115.31 121.58 1jj2 h LEU 240 Ca 0.12 0.12 -0.15 0.00 -0.12 0.00 0.00 57.88 57.85 1jj2 h LEU 240 Cb 0.43 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 1jj2 h LEU 240 CO -0.33 0.14 -0.45 0.00 -0.62 0.00 0.00 178.44 177.19 1jj2 h ALA 241 N 1.66 0.72 -0.01 1.25 0.00 -0.72 -3.21 119.26 118.95 1jj2 h ALA 241 Ca 0.56 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jj2 h ALA 241 Cb 0.96 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1jj2 h ALA 241 CO -0.44 0.67 -0.01 0.93 0.00 0.00 0.00 179.25 180.40 1jj2 h GLU 242 N 0.54 0.03 -1.16 0.00 5.08 0.75 -3.10 114.58 116.71 1jj2 h GLU 242 Ca 0.03 -0.01 0.34 0.00 -1.00 0.00 0.00 59.36 58.72 1jj2 h GLU 242 Cb 0.99 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.14 1jj2 h GLU 242 CO 0.09 0.43 0.75 0.28 -1.00 0.00 0.00 179.01 179.57 1jj2 h VAL 243 N -0.38 0.36 -1.10 3.13 2.07 -1.24 -1.77 116.25 117.33 1jj2 h VAL 243 Ca 0.00 -0.09 0.32 0.00 0.82 0.00 0.00 66.70 67.76 1jj2 h VAL 243 Cb 0.42 0.09 -0.12 0.00 -1.52 0.00 0.00 31.29 30.17 1jj2 h VAL 243 CO 0.00 0.05 0.68 0.00 0.02 0.00 0.00 177.57 178.32 1jj2 h ALA 244 N 1.59 2.25 -0.10 1.67 0.00 -1.54 0.42 119.26 123.56 1jj2 h ALA 244 Ca 0.68 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.70 1jj2 h ALA 244 Cb 1.97 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1jj2 h ALA 244 CO -0.32 -0.76 0.00 0.39 0.00 0.00 0.00 179.25 178.56 1jj2 n GLU 245 N -4.76 1.85 0.00 0.00 1.02 -0.67 -4.71 120.64 113.37 1jj2 n GLU 245 Ca 0.30 -1.25 0.14 0.00 -0.02 0.00 0.00 57.16 56.33 1jj2 n GLU 245 Cb 1.02 -1.45 0.82 0.00 -0.02 0.00 0.00 31.44 31.81 1jj2 n GLU 245 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85