#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jjx s PRO 3 N 0.00 4.29 -0.00 5.56 0.04 -1.26 -3.94 135.00 139.69 2jjx s PRO 3 Ca 0.00 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.74 2jjx s PRO 3 Cb 0.00 -3.53 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 2jjx s PRO 3 CO 0.00 -0.12 0.06 0.71 0.04 0.00 0.00 177.00 177.69 2jjx s TYR 4 N 1.49 3.24 -0.10 0.56 2.02 -1.26 -5.01 117.35 118.28 2jjx s TYR 4 Ca 0.31 0.18 0.01 0.00 -0.37 0.00 0.00 57.07 57.20 2jjx s TYR 4 Cb -0.16 -1.72 -0.25 0.00 -0.40 0.00 0.00 41.96 39.43 2jjx s TYR 4 CO 0.12 0.53 0.42 1.63 -1.57 0.00 0.00 175.55 176.69 2jjx n LYS 5 N 1.22 0.71 -4.86 -0.62 5.02 -1.26 -4.84 118.16 113.53 2jjx n LYS 5 Ca -0.13 0.26 -0.26 0.00 -2.02 0.00 0.00 58.31 56.16 2jjx n LYS 5 Cb 0.53 -1.72 -0.16 0.00 -0.02 0.00 0.00 35.03 33.66 2jjx n LYS 5 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jjx s ARG 6 N -2.57 1.58 -0.06 1.97 0.52 -1.26 -0.15 118.95 118.98 2jjx s ARG 6 Ca -0.17 -0.63 -0.11 0.00 -0.52 0.00 0.00 55.73 54.29 2jjx s ARG 6 Cb 0.07 -1.47 0.02 0.00 0.52 0.00 0.00 34.95 34.10 2jjx s ARG 6 CO 0.78 0.34 0.27 0.54 0.02 0.00 0.00 175.30 177.25 2jjx s VAL 7 N -0.27 0.03 -0.18 3.52 0.11 0.14 -0.01 120.40 123.75 2jjx s VAL 7 Ca 0.03 -0.28 -0.02 0.00 -2.93 0.00 0.00 61.98 58.78 2jjx s VAL 7 Cb -0.09 -0.48 -0.01 0.00 -1.53 0.00 0.00 36.38 34.27 2jjx s VAL 7 CO 0.00 -0.15 -0.08 -0.22 -3.33 0.00 0.00 175.10 171.32 2jjx s LEU 8 N -0.61 2.81 -0.26 2.54 1.98 -0.95 -1.70 118.68 122.50 2jjx s LEU 8 Ca -0.07 -0.36 -0.10 0.00 -2.89 0.00 0.00 54.13 50.70 2jjx s LEU 8 Cb -0.04 -1.68 -0.05 0.00 0.66 0.00 0.00 46.19 45.08 2jjx s LEU 8 CO 0.02 0.06 0.15 -0.63 -1.89 0.00 0.00 176.35 174.07 2jjx s ILE 9 N 0.97 5.15 -0.27 6.68 1.01 0.05 -0.81 121.20 133.98 2jjx s ILE 9 Ca -0.01 0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.66 2jjx s ILE 9 Cb -0.15 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 2jjx s ILE 9 CO -0.00 0.31 0.13 -0.75 0.00 0.00 0.00 174.94 174.62 2jjx s LYS 10 N 1.43 3.75 -0.08 2.79 2.47 0.07 -0.92 119.74 129.24 2jjx s LYS 10 Ca 0.07 -0.43 0.05 0.00 -1.56 0.00 0.00 55.97 54.10 2jjx s LYS 10 Cb -0.15 -3.48 -0.01 0.00 -1.46 0.00 0.00 37.83 32.73 2jjx s LYS 10 CO 0.07 -0.20 -0.25 -0.51 0.16 0.00 0.00 175.35 174.62 2jjx s LEU 11 N 1.68 2.08 0.40 5.43 2.01 -0.17 -1.57 118.68 128.54 2jjx s LEU 11 Ca 0.07 -0.53 -0.17 0.00 0.01 0.00 0.00 54.13 53.50 2jjx s LEU 11 Cb -0.16 -1.39 -0.09 0.00 0.01 0.00 0.00 46.19 44.56 2jjx s LEU 11 CO 0.07 0.21 0.87 -0.55 1.01 0.00 0.00 176.35 177.95 2jjx s SER 12 N 0.07 6.80 0.48 2.29 0.15 -1.26 -1.34 113.70 120.88 2jjx s SER 12 Ca -0.11 1.48 0.13 0.00 0.70 0.00 0.00 55.95 58.16 2jjx s SER 12 Cb -0.16 -2.46 1.12 0.00 -1.71 0.00 0.00 66.02 62.81 2jjx s SER 12 CO 0.06 -0.34 2.10 1.23 1.20 0.00 0.00 173.24 177.49 2jjx h GLY 13 N 1.83 0.24 2.00 9.45 0.00 -1.89 -2.52 103.07 112.18 2jjx h GLY 13 Ca -0.48 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 2jjx h GLY 13 CO 0.63 0.08 -0.01 -1.33 0.00 0.00 0.00 176.54 175.91 2jjx h GLY 14 N 0.22 0.00 2.00 4.60 0.00 -1.87 -1.73 103.07 106.28 2jjx h GLY 14 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2jjx h GLY 14 CO -0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.52 2jjx h ALA 15 N 1.99 1.00 0.00 3.60 0.00 -1.84 -3.10 119.26 120.92 2jjx h ALA 15 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jjx h ALA 15 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jjx h ALA 15 CO 0.00 0.00 -0.56 -0.07 0.00 0.00 0.00 179.25 178.62 2jjx h LEU 16 N 0.00 0.00 -9.38 0.00 4.07 -1.49 -3.44 115.31 105.08 2jjx h LEU 16 Ca 0.00 -0.17 -0.59 0.00 0.08 0.00 0.00 57.88 57.20 2jjx h LEU 16 Cb 0.63 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.25 2jjx h LEU 16 CO 0.00 0.09 -0.70 0.00 -1.08 0.00 0.00 178.44 176.74 2jjx s ALA 17 N -3.17 2.95 1.00 1.53 0.00 -1.17 -1.00 121.76 121.89 2jjx s ALA 17 Ca 0.06 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.26 2jjx s ALA 17 Cb 0.13 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.73 2jjx s ALA 17 CO 0.71 0.28 0.00 -0.40 0.00 0.00 0.00 175.76 176.35 2jjx n ASP 18 N -0.73 -0.28 -0.09 0.00 5.68 -1.26 -4.90 116.55 114.96 2jjx n ASP 18 Ca -0.06 -0.38 -0.11 0.00 -0.50 0.00 0.00 54.79 53.74 2jjx n ASP 18 Cb 0.59 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.46 2jjx n ASP 18 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jjx n GLN 19 N -0.66 0.92 0.00 0.11 0.00 -1.26 -4.80 117.38 111.69 2jjx n GLN 19 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 57.00 57.06 2jjx n GLN 19 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 30.24 28.82 2jjx n GLN 19 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2jjx n THR 20 N -2.86 0.00 0.00 -0.39 -1.04 -1.26 -4.50 114.28 104.23 2jjx n THR 20 Ca -0.32 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 2jjx n THR 20 Cb 0.96 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 69.29 2jjx n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jjx n GLY 21 N 0.00 1.01 0.00 3.41 0.00 -1.26 -5.10 105.19 103.25 2jjx n GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jjx n GLY 21 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jjx n ASN 22 N -0.25 0.00 0.00 1.61 2.85 -1.26 -5.09 115.26 113.12 2jjx n ASN 22 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2jjx n ASN 22 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2jjx n ASN 22 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2jjx n SER 23 N 0.00 0.00 -4.39 1.20 3.41 -1.17 -4.97 113.62 107.70 2jjx n SER 23 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 2jjx n SER 23 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 2jjx n SER 23 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2jjx s PHE 24 N 0.00 2.20 -0.17 7.33 0.40 -1.26 -3.69 117.98 122.79 2jjx s PHE 24 Ca 0.00 -0.38 -0.01 0.00 -0.60 0.00 0.00 56.93 55.93 2jjx s PHE 24 Cb 0.00 -1.14 0.05 0.00 0.51 0.00 0.00 43.02 42.44 2jjx s PHE 24 CO 0.00 0.39 -0.02 1.21 0.70 0.00 0.00 175.22 177.51 2jjx s ASN 25 N -2.37 2.78 0.41 1.36 3.84 -0.17 -4.84 114.94 115.95 2jjx s ASN 25 Ca 0.16 -0.68 0.29 0.00 0.21 0.00 0.00 52.86 52.84 2jjx s ASN 25 Cb -0.09 -0.77 1.42 0.00 -0.55 0.00 0.00 41.25 41.27 2jjx s ASN 25 CO 0.08 -0.23 1.87 0.77 -2.79 0.00 0.00 177.10 176.80 2jjx h SER 26 N 8.17 0.00 -0.01 -4.21 4.64 -1.98 0.21 113.55 120.37 2jjx h SER 26 Ca -0.20 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.99 2jjx h SER 26 Cb 1.11 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.21 2jjx h SER 26 CO 0.36 0.00 -0.49 0.11 -0.87 0.00 0.00 176.83 175.95 2jjx h LYS 27 N 0.00 0.35 -0.37 4.77 1.79 -1.95 -2.22 116.57 118.95 2jjx h LYS 27 Ca 0.00 -0.36 -0.03 0.00 -2.18 0.00 0.00 60.65 58.08 2jjx h LYS 27 Cb 0.17 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 2jjx h LYS 27 CO 0.00 1.04 0.12 0.00 -1.08 0.00 0.00 179.45 179.53 2jjx h ARG 28 N -0.20 0.57 -0.47 3.15 3.08 -1.62 -1.79 114.38 117.11 2jjx h ARG 28 Ca -0.06 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 59.90 2jjx h ARG 28 Cb 1.20 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 2jjx h ARG 28 CO 0.10 0.58 0.31 -0.07 -1.07 0.00 0.00 179.97 179.82 2jjx h LEU 29 N 0.45 0.46 -0.23 3.04 4.07 -0.67 -0.98 115.31 121.45 2jjx h LEU 29 Ca 0.12 -0.01 -0.18 0.00 0.08 0.00 0.00 57.88 57.89 2jjx h LEU 29 Cb 0.24 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.88 2jjx h LEU 29 CO -0.00 0.32 -0.56 -0.08 -1.08 0.00 0.00 178.44 177.04 2jjx h GLU 30 N 0.54 0.78 0.23 1.13 4.81 -1.09 -1.42 114.58 119.55 2jjx h GLU 30 Ca 0.18 -0.53 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2jjx h GLU 30 Cb 0.07 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2jjx h GLU 30 CO -0.05 1.16 -0.17 1.25 -0.73 0.00 0.00 179.01 180.47 2jjx h HIS 31 N 0.52 -0.44 -0.69 0.92 2.76 -0.80 -1.52 115.15 115.89 2jjx h HIS 31 Ca -0.01 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.25 2jjx h HIS 31 Cb 1.17 0.16 -0.07 0.00 1.55 0.00 0.00 27.41 30.23 2jjx h HIS 31 CO 0.08 -0.26 0.34 0.82 -1.30 0.00 0.00 177.93 177.61 2jjx h ILE 32 N -0.40 0.84 -0.43 6.26 2.04 -1.14 -1.09 117.51 123.59 2jjx h ILE 32 Ca -0.02 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2jjx h ILE 32 Cb 0.35 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2jjx h ILE 32 CO -0.00 0.11 0.21 0.00 0.00 0.00 0.00 178.15 178.46 2jjx h ALA 33 N 1.42 0.55 -0.33 1.87 0.00 -1.03 -2.09 119.26 119.65 2jjx h ALA 33 Ca 0.34 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2jjx h ALA 33 Cb 0.36 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jjx h ALA 33 CO -0.27 0.11 0.03 -0.91 0.00 0.00 0.00 179.25 178.21 2jjx h ASN 34 N 0.55 0.55 -0.52 0.00 2.35 -0.56 -0.47 115.58 117.48 2jjx h ASN 34 Ca 0.15 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 2jjx h ASN 34 Cb 0.11 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 2jjx h ASN 34 CO -0.02 0.70 0.29 -0.33 -1.65 0.00 0.00 177.43 176.42 2jjx h GLU 35 N 0.38 0.76 -0.14 0.81 4.39 -1.21 -0.47 114.58 119.10 2jjx h GLU 35 Ca 0.10 -0.08 -0.20 0.00 0.34 0.00 0.00 59.36 59.51 2jjx h GLU 35 Cb 0.40 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2jjx h GLU 35 CO 0.01 0.56 -0.73 0.82 -1.16 0.00 0.00 179.01 178.51 2jjx h ILE 36 N 0.76 1.31 -0.19 3.13 2.04 -0.95 -3.26 117.51 120.36 2jjx h ILE 36 Ca 0.20 -1.99 -0.19 0.00 1.00 0.00 0.00 64.86 63.87 2jjx h ILE 36 Cb 0.03 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2jjx h ILE 36 CO -0.03 0.62 -0.66 -0.07 0.00 0.00 0.00 178.15 178.02 2jjx h LEU 37 N 0.47 0.83 -0.90 1.44 3.38 -0.80 -2.69 115.31 117.04 2jjx h LEU 37 Ca -0.04 -0.49 0.22 0.00 0.09 0.00 0.00 57.88 57.66 2jjx h LEU 37 Cb 1.34 -0.24 -0.12 0.00 0.09 0.00 0.00 40.66 41.72 2jjx h LEU 37 CO 0.14 1.27 0.39 0.77 0.09 0.00 0.00 178.44 181.10 2jjx h SER 38 N 0.52 0.32 -0.09 -0.43 4.64 -1.14 0.38 113.55 117.75 2jjx h SER 38 Ca -0.02 0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.38 2jjx h SER 38 Cb 1.25 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2jjx h SER 38 CO 0.13 -0.01 -0.25 0.40 -0.87 0.00 0.00 176.83 176.24 2jjx h ILE 39 N 0.40 1.40 -0.04 0.95 2.04 -1.56 -3.19 117.51 117.51 2jjx h ILE 39 Ca 0.56 -1.58 -0.09 0.00 1.00 0.00 0.00 64.86 64.75 2jjx h ILE 39 Cb 1.06 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 39.31 2jjx h ILE 39 CO -0.53 0.46 -0.37 1.62 0.00 0.00 0.00 178.15 179.32 2jjx h VAL 40 N -0.12 1.28 -0.02 1.67 3.04 -0.92 -2.52 116.25 118.67 2jjx h VAL 40 Ca -0.00 -1.34 0.01 0.00 -1.01 0.00 0.00 66.70 64.35 2jjx h VAL 40 Cb 0.86 1.67 -0.00 0.00 -2.01 0.00 0.00 31.29 31.81 2jjx h VAL 40 CO 0.05 0.39 0.09 0.44 -1.01 0.00 0.00 177.57 177.53 2jjx h ASP 41 N 0.07 0.00 -0.38 3.17 3.32 -0.28 1.83 116.42 124.14 2jjx h ASP 41 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2jjx h ASP 41 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 2jjx h ASP 41 CO 0.05 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.75 2jjx n LEU 42 N -3.21 2.03 -1.29 1.55 4.32 -0.95 -4.88 117.00 114.56 2jjx n LEU 42 Ca -0.02 -1.01 -0.14 0.00 -0.02 0.00 0.00 56.01 54.82 2jjx n LEU 42 Cb 0.16 -0.25 -0.04 0.00 -1.62 0.00 0.00 43.42 41.67 2jjx n LEU 42 CO 0.20 0.51 -0.15 0.61 -1.22 0.00 0.00 177.39 177.34 2jjx n GLY 43 N 1.10 0.75 3.76 -0.72 0.00 0.62 -4.97 105.19 105.73 2jjx n GLY 43 Ca 0.13 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 2jjx n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jjx s ILE 44 N -2.59 4.37 -0.12 -0.61 1.01 -1.22 -5.01 121.20 117.02 2jjx s ILE 44 Ca 0.00 1.85 -0.24 0.00 0.00 0.00 0.00 60.65 62.25 2jjx s ILE 44 Cb 0.00 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 2jjx s ILE 44 CO 0.00 0.46 0.77 -1.61 0.00 0.00 0.00 174.94 174.56 2jjx s GLU 45 N -0.81 4.35 -0.09 2.79 2.02 0.79 -4.32 118.70 123.43 2jjx s GLU 45 Ca 0.39 0.94 0.00 0.00 0.02 0.00 0.00 54.97 56.33 2jjx s GLU 45 Cb -0.23 -3.52 -0.03 0.00 0.10 0.00 0.00 34.13 30.45 2jjx s GLU 45 CO 0.28 -0.16 -0.08 0.08 0.02 0.00 0.00 175.26 175.40 2jjx s VAL 46 N 1.55 3.55 0.11 2.63 1.01 -1.26 -0.68 120.40 127.30 2jjx s VAL 46 Ca 0.38 -0.52 0.10 0.00 0.00 0.00 0.00 61.98 61.93 2jjx s VAL 46 Cb -0.17 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2jjx s VAL 46 CO 0.15 0.57 -0.24 -0.44 0.00 0.00 0.00 175.10 175.14 2jjx s SER 47 N -0.45 2.93 -0.02 3.32 0.01 -0.69 -2.36 113.70 116.44 2jjx s SER 47 Ca 0.06 -0.70 0.03 0.00 1.31 0.00 0.00 55.95 56.65 2jjx s SER 47 Cb -0.12 -0.19 -0.00 0.00 0.21 0.00 0.00 66.02 65.92 2jjx s SER 47 CO 0.02 0.13 -0.09 -0.63 0.41 0.00 0.00 173.24 173.08 2jjx s ILE 48 N -1.07 0.74 -0.18 1.44 1.01 0.46 -0.77 121.20 122.83 2jjx s ILE 48 Ca 0.10 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.40 2jjx s ILE 48 Cb -0.10 -0.65 0.03 0.00 0.01 0.00 0.00 42.46 41.75 2jjx s ILE 48 CO 0.05 0.23 -0.13 -0.69 0.00 0.00 0.00 174.94 174.39 2jjx s VAL 49 N 0.06 1.71 0.08 2.92 1.01 -0.10 -0.67 120.40 125.41 2jjx s VAL 49 Ca -0.01 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.13 2jjx s VAL 49 Cb -0.07 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2jjx s VAL 49 CO 0.00 0.33 0.03 -0.63 0.00 0.00 0.00 175.10 174.83 2jjx s ILE 50 N 1.40 4.23 0.62 2.22 1.01 -1.26 -0.99 121.20 128.44 2jjx s ILE 50 Ca 0.02 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 59.75 2jjx s ILE 50 Cb -0.15 -3.03 0.05 0.00 0.01 0.00 0.00 42.46 39.35 2jjx s ILE 50 CO -0.10 0.12 0.89 -0.83 0.00 0.00 0.00 174.94 175.02 2jjx s GLY 51 N -2.34 1.77 -0.20 6.18 0.00 -0.45 -4.74 107.32 107.54 2jjx s GLY 51 Ca 0.27 -1.20 0.16 0.00 0.00 0.00 0.00 44.72 43.95 2jjx s GLY 51 CO 0.20 -0.85 1.49 0.61 0.00 0.00 0.00 173.10 174.55 2jjx n GLY 52 N -2.61 3.95 0.27 0.20 0.00 -1.26 -3.34 105.19 102.40 2jjx n GLY 52 Ca 0.09 -1.04 0.11 0.00 0.00 0.00 0.00 46.02 45.17 2jjx n GLY 52 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jjx h GLY 53 N 2.08 0.00 1.37 -0.02 0.00 -1.85 -2.26 103.07 102.40 2jjx h GLY 53 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2jjx h GLY 53 CO 0.30 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.00 2jjx n ASN 54 N -4.19 0.00 -0.04 0.19 6.94 -1.25 -3.94 115.26 112.96 2jjx n ASN 54 Ca -0.03 -0.41 -0.09 0.00 -0.02 0.00 0.00 54.58 54.04 2jjx n ASN 54 Cb 0.11 -0.19 -0.03 0.00 -2.36 0.00 0.00 39.78 37.31 2jjx n ASN 54 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2jjx n ILE 55 N -1.19 0.46 -3.90 1.53 5.41 -0.90 -3.06 119.36 117.71 2jjx n ILE 55 Ca 0.17 -0.12 -0.13 0.00 1.00 0.00 0.00 62.75 63.67 2jjx n ILE 55 Cb 0.19 -1.55 -0.14 0.00 -0.71 0.00 0.00 39.64 37.43 2jjx n ILE 55 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 2jjx s PHE 56 N -2.15 0.06 0.02 1.39 5.36 -0.90 -5.05 117.98 116.71 2jjx s PHE 56 Ca -0.12 -0.01 0.01 0.00 -0.96 0.00 0.00 56.93 55.86 2jjx s PHE 56 Cb 0.04 -0.05 -0.02 0.00 -0.34 0.00 0.00 43.02 42.66 2jjx s PHE 56 CO 0.15 -0.00 -0.04 1.03 -1.46 0.00 0.00 175.22 174.89 2jjx s ARG 57 N 0.03 0.34 0.08 10.12 0.52 -1.26 -4.26 118.95 124.53 2jjx s ARG 57 Ca -0.00 -0.53 0.04 0.00 -0.52 0.00 0.00 55.73 54.73 2jjx s ARG 57 Cb -0.01 -0.08 0.23 0.00 0.52 0.00 0.00 34.95 35.61 2jjx s ARG 57 CO -0.00 0.00 1.02 0.41 0.02 0.00 0.00 175.30 176.76 2jjx n GLY 58 N 1.91 -0.46 0.39 -3.53 0.00 -1.26 -2.23 105.19 100.00 2jjx n GLY 58 Ca -0.21 0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.03 2jjx n GLY 58 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2jjx h HIS 59 N 0.00 0.55 0.00 1.61 3.86 -2.01 -2.19 115.15 116.97 2jjx h HIS 59 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2jjx h HIS 59 Cb 0.27 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.58 2jjx h HIS 59 CO 0.00 0.17 -0.08 -0.07 0.86 0.00 0.00 177.93 178.81 2jjx h LEU 60 N 0.43 0.00 -0.49 2.43 -0.00 -1.88 -3.25 115.31 112.54 2jjx h LEU 60 Ca 0.44 0.00 0.12 0.00 -0.00 0.00 0.00 57.88 58.44 2jjx h LEU 60 Cb 1.05 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.62 2jjx h LEU 60 CO -0.16 0.45 -0.06 0.00 -0.00 0.00 0.00 178.44 178.67 2jjx n ALA 61 N -2.78 0.18 -0.06 1.53 0.00 -1.08 0.43 120.51 118.73 2jjx n ALA 61 Ca -0.01 0.54 -0.11 0.00 0.00 0.00 0.00 53.44 53.86 2jjx n ALA 61 Cb 0.04 -0.36 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 2jjx n ALA 61 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2jjx h GLU 62 N 0.00 0.32 -0.99 0.00 4.81 -1.56 0.73 114.58 117.89 2jjx h GLU 62 Ca 0.27 -0.06 0.16 0.00 -0.13 0.00 0.00 59.36 59.60 2jjx h GLU 62 Cb 0.49 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.72 2jjx h GLU 62 CO -0.49 0.37 0.62 0.93 -0.73 0.00 0.00 179.01 179.71 2jjx h GLU 63 N 0.20 0.82 -0.26 1.92 5.08 0.88 -0.82 114.58 122.39 2jjx h GLU 63 Ca 0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2jjx h GLU 63 Cb 0.17 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2jjx h GLU 63 CO -0.01 0.54 0.00 0.91 -1.00 0.00 0.00 179.01 179.45 2jjx n TRP 64 N -4.67 0.56 -3.82 4.33 7.02 -0.40 -5.00 117.44 115.45 2jjx n TRP 64 Ca 0.21 -0.66 -0.27 0.00 -1.02 0.00 0.00 57.50 55.76 2jjx n TRP 64 Cb 0.47 -0.13 0.01 0.00 -2.42 0.00 0.00 31.31 29.24 2jjx n TRP 64 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jjx n GLY 65 N -0.04 -0.48 3.73 6.99 0.00 0.20 -4.95 105.19 110.64 2jjx n GLY 65 Ca 0.14 0.24 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 2jjx n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jjx s ILE 66 N -3.75 4.83 0.08 -0.61 1.01 0.17 -4.97 121.20 117.96 2jjx s ILE 66 Ca 0.16 1.72 -0.37 0.00 0.00 0.00 0.00 60.65 62.16 2jjx s ILE 66 Cb -0.06 -4.16 -0.17 0.00 0.01 0.00 0.00 42.46 38.08 2jjx s ILE 66 CO 0.87 0.28 1.31 -0.67 0.00 0.00 0.00 174.94 176.72 2jjx n ASP 67 N 3.33 1.47 -0.32 3.58 -0.08 -1.26 -4.58 116.55 118.69 2jjx n ASP 67 Ca 0.00 1.12 0.20 0.00 -1.51 0.00 0.00 54.79 54.61 2jjx n ASP 67 Cb 0.51 -1.17 0.40 0.00 2.34 0.00 0.00 41.12 43.21 2jjx n ASP 67 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2jjx h ARG 68 N 4.35 0.23 -0.28 -0.67 9.65 -1.97 1.16 114.38 126.85 2jjx h ARG 68 Ca -0.48 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.34 2jjx h ARG 68 Cb 1.35 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.86 2jjx h ARG 68 CO 0.76 0.15 -0.03 0.28 2.80 0.00 0.00 179.97 183.93 2jjx h VAL 69 N 0.23 1.18 -0.06 0.20 2.07 -2.00 -2.06 116.25 115.82 2jjx h VAL 69 Ca 0.67 -0.75 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 2jjx h VAL 69 Cb 1.49 1.00 0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2jjx h VAL 69 CO -0.66 0.25 -0.37 -0.33 0.02 0.00 0.00 177.57 176.48 2jjx h GLU 70 N 0.42 0.35 -0.96 1.57 5.08 0.92 -2.83 114.58 119.13 2jjx h GLU 70 Ca 0.09 -0.30 0.11 0.00 -1.00 0.00 0.00 59.36 58.26 2jjx h GLU 70 Cb 0.32 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.56 2jjx h GLU 70 CO 0.01 0.95 0.59 0.00 -1.00 0.00 0.00 179.01 179.56 2jjx h ALA 71 N 0.40 1.41 -0.65 3.43 0.00 -0.72 -2.21 119.26 120.91 2jjx h ALA 71 Ca -0.03 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2jjx h ALA 71 Cb 1.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2jjx h ALA 71 CO 0.08 0.22 0.07 -0.44 0.00 0.00 0.00 179.25 179.17 2jjx h ASP 72 N 0.96 1.07 -0.62 0.00 5.19 -1.34 -0.56 116.42 121.13 2jjx h ASP 72 Ca 0.46 -0.28 0.02 0.00 -0.62 0.00 0.00 57.03 56.61 2jjx h ASP 72 Cb 0.41 -0.29 -0.03 0.00 0.18 0.00 0.00 39.33 39.60 2jjx h ASP 72 CO -0.25 1.08 0.41 0.78 -3.12 0.00 0.00 179.24 178.15 2jjx h ASN 73 N 1.03 0.69 -0.06 6.45 4.21 -1.16 0.29 115.58 127.03 2jjx h ASN 73 Ca 0.19 -0.01 -0.04 0.00 1.21 0.00 0.00 56.30 57.65 2jjx h ASN 73 Cb 0.49 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.52 2jjx h ASN 73 CO 0.02 0.49 -0.11 0.40 -1.29 0.00 0.00 177.43 176.94 2jjx h ILE 74 N 0.81 1.41 -0.83 2.81 2.04 -1.06 -3.01 117.51 119.68 2jjx h ILE 74 Ca 0.24 -1.39 0.13 0.00 1.00 0.00 0.00 64.86 64.83 2jjx h ILE 74 Cb -0.04 2.18 -0.06 0.00 -0.74 0.00 0.00 36.82 38.16 2jjx h ILE 74 CO -0.06 0.39 0.54 1.23 0.00 0.00 0.00 178.15 180.25 2jjx h GLY 75 N -0.30 1.04 1.47 5.37 0.00 -0.22 -1.13 103.07 109.31 2jjx h GLY 75 Ca 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 2jjx h GLY 75 CO 0.02 0.11 -0.17 -0.84 0.00 0.00 0.00 176.54 175.66 2jjx h THR 76 N 0.64 1.26 0.00 4.70 2.02 -0.42 -2.27 112.91 118.84 2jjx h THR 76 Ca 0.40 -1.19 -0.07 0.00 0.77 0.00 0.00 66.41 66.32 2jjx h THR 76 Cb 0.66 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 2jjx h THR 76 CO -0.16 0.39 -0.31 -0.07 0.37 0.00 0.00 175.52 175.73 2jjx h LEU 77 N 0.56 0.00 -0.52 2.58 4.07 -1.07 -2.77 115.31 118.16 2jjx h LEU 77 Ca 0.09 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.06 2jjx h LEU 77 Cb 0.61 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.33 2jjx h LEU 77 CO 0.04 0.31 0.34 1.23 -1.08 0.00 0.00 178.44 179.29 2jjx h GLY 78 N 1.03 0.74 1.49 0.83 0.00 -1.22 -2.27 103.07 103.67 2jjx h GLY 78 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 2jjx h GLY 78 CO 0.04 0.26 0.18 -0.91 0.00 0.00 0.00 176.54 176.11 2jjx h THR 79 N 0.70 1.17 -0.22 4.70 1.35 -1.44 -1.80 112.91 117.37 2jjx h THR 79 Ca 0.19 -0.55 -0.18 0.00 -0.55 0.00 0.00 66.41 65.33 2jjx h THR 79 Cb -0.07 0.63 -0.00 0.00 -1.73 0.00 0.00 68.15 66.98 2jjx h THR 79 CO -0.05 0.21 -0.58 0.40 -0.25 0.00 0.00 175.52 175.26 2jjx h ILE 80 N 0.65 1.30 -0.21 6.82 2.04 -1.40 -0.88 117.51 125.84 2jjx h ILE 80 Ca 0.16 -1.80 -0.01 0.00 1.00 0.00 0.00 64.86 64.21 2jjx h ILE 80 Cb 0.14 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 2jjx h ILE 80 CO -0.02 0.57 0.10 0.40 0.00 0.00 0.00 178.15 179.21 2jjx h ILE 81 N 0.53 1.14 -0.66 -0.67 2.04 -1.11 -1.12 117.51 117.67 2jjx h ILE 81 Ca 0.00 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 2jjx h ILE 81 Cb 1.16 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 2jjx h ILE 81 CO 0.12 0.14 0.16 0.78 0.00 0.00 0.00 178.15 179.34 2jjx h ASN 82 N 0.21 0.97 -0.01 1.72 2.35 -1.28 -1.09 115.58 118.45 2jjx h ASN 82 Ca 0.07 -0.20 0.01 0.00 -0.55 0.00 0.00 56.30 55.64 2jjx h ASN 82 Cb 0.12 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2jjx h ASN 82 CO -0.01 0.94 -0.04 0.28 -1.65 0.00 0.00 177.43 176.95 2jjx h SER 83 N 0.99 -0.12 -0.14 5.81 0.02 -0.87 -0.03 113.55 119.21 2jjx h SER 83 Ca 0.21 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2jjx h SER 83 Cb 0.34 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2jjx h SER 83 CO 0.00 -0.06 0.09 -0.07 -1.14 0.00 0.00 176.83 175.65 2jjx h LEU 84 N -0.07 0.17 0.00 5.07 4.07 -0.92 0.43 115.31 124.07 2jjx h LEU 84 Ca 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jjx h LEU 84 Cb 0.10 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.79 2jjx h LEU 84 CO -0.05 0.14 0.00 0.23 -1.08 0.00 0.00 178.44 177.68 2jjx n MET 85 N -4.98 0.00 -0.25 1.13 2.81 -0.44 -1.80 117.12 113.59 2jjx n MET 85 Ca -0.04 0.71 0.16 0.00 -1.81 0.00 0.00 57.70 56.72 2jjx n MET 85 Cb 0.04 -1.50 0.31 0.00 -0.71 0.00 0.00 33.22 31.36 2jjx n MET 85 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2jjx n LEU 86 N -2.41 0.05 -0.10 4.03 -0.00 -0.04 0.14 117.00 118.66 2jjx n LEU 86 Ca 0.00 1.27 -0.10 0.00 -0.00 0.00 0.00 56.01 57.18 2jjx n LEU 86 Cb 0.00 -0.52 -0.02 0.00 -0.00 0.00 0.00 43.42 42.88 2jjx n LEU 86 CO 0.00 -1.34 0.90 -0.09 -0.00 0.00 0.00 177.39 176.86 2jjx h ARG 87 N 0.00 0.48 -0.05 1.96 1.12 -0.52 0.11 114.38 117.48 2jjx h ARG 87 Ca 0.53 -0.09 0.04 0.00 -1.11 0.00 0.00 59.98 59.35 2jjx h ARG 87 Cb 1.23 -0.08 -0.06 0.00 -0.01 0.00 0.00 29.97 31.06 2jjx h ARG 87 CO -0.66 0.49 -0.34 0.78 -3.11 0.00 0.00 179.97 177.13 2jjx h GLY 88 N 0.37 -0.54 0.31 2.80 0.00 0.20 0.65 103.07 106.86 2jjx h GLY 88 Ca 0.11 0.41 0.06 0.00 0.00 0.00 0.00 47.33 47.91 2jjx h GLY 88 CO -0.01 -0.23 -0.16 -2.08 0.00 0.00 0.00 176.54 174.06 2jjx h VAL 89 N -0.46 0.55 -0.78 4.60 2.07 -1.16 -2.15 116.25 118.92 2jjx h VAL 89 Ca 0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.60 2jjx h VAL 89 Cb 0.57 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2jjx h VAL 89 CO -0.31 0.00 0.51 -0.07 0.02 0.00 0.00 177.57 177.72 2jjx h LEU 90 N -0.15 0.90 -0.81 2.57 4.07 -0.32 -2.71 115.31 118.87 2jjx h LEU 90 Ca 0.13 -0.03 0.02 0.00 0.08 0.00 0.00 57.88 58.08 2jjx h LEU 90 Cb 0.35 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.82 2jjx h LEU 90 CO -0.33 0.66 0.53 0.74 -1.08 0.00 0.00 178.44 178.96 2jjx h THR 91 N 1.06 1.17 -0.17 0.22 2.02 -0.47 -0.98 112.91 115.76 2jjx h THR 91 Ca 0.29 -0.36 0.04 0.00 0.77 0.00 0.00 66.41 67.14 2jjx h THR 91 Cb -0.11 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.31 2jjx h THR 91 CO -0.06 0.19 0.12 0.77 0.37 0.00 0.00 175.52 176.91 2jjx h SER 92 N 1.06 0.05 0.00 4.18 4.64 -1.07 -3.13 113.55 119.28 2jjx h SER 92 Ca 0.31 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2jjx h SER 92 Cb -0.07 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2jjx h SER 92 CO -0.09 0.04 -1.34 0.29 -0.87 0.00 0.00 176.83 174.86 2jjx n LYS 93 N -4.50 1.01 -4.54 4.77 5.02 -0.88 -5.01 118.16 114.03 2jjx n LYS 93 Ca 0.01 -0.09 -0.27 0.00 -2.02 0.00 0.00 58.31 55.94 2jjx n LYS 93 Cb 0.21 -1.34 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 2jjx n LYS 93 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2jjx s THR 94 N -2.88 2.11 -0.26 -0.18 2.01 -0.43 -5.01 115.64 111.00 2jjx s THR 94 Ca -0.01 -2.00 0.10 0.00 0.31 0.00 0.00 61.69 60.09 2jjx s THR 94 Cb 0.11 -2.93 -0.13 0.00 0.01 0.00 0.00 72.50 69.56 2jjx s THR 94 CO 0.68 -0.05 0.34 0.59 -0.69 0.00 0.00 174.62 175.49 2jjx n ASN 95 N -0.97 1.47 -4.69 3.53 3.02 -1.26 -4.75 115.26 111.61 2jjx n ASN 95 Ca -0.05 -0.40 -0.31 0.00 -0.03 0.00 0.00 54.58 53.79 2jjx n ASN 95 Cb 0.66 1.22 0.15 0.00 -0.61 0.00 0.00 39.78 41.20 2jjx n ASN 95 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2jjx s LYS 96 N -2.31 1.24 0.05 3.52 -0.14 -1.26 -4.98 119.74 115.86 2jjx s LYS 96 Ca 0.00 1.57 -0.21 0.00 -1.36 0.00 0.00 55.97 55.97 2jjx s LYS 96 Cb 0.07 -1.75 -0.06 0.00 -1.68 0.00 0.00 37.83 34.41 2jjx s LYS 96 CO 0.42 -2.47 0.62 -1.21 -0.76 0.00 0.00 175.35 171.95 2jjx s GLU 97 N -4.56 4.31 -0.10 1.68 0.41 -1.26 -4.93 118.70 114.24 2jjx s GLU 97 Ca 0.68 0.81 0.01 0.00 -0.41 0.00 0.00 54.97 56.05 2jjx s GLU 97 Cb -0.24 -3.29 0.02 0.00 -1.78 0.00 0.00 34.13 28.84 2jjx s GLU 97 CO 0.56 0.49 -0.11 0.14 -0.49 0.00 0.00 175.26 175.85 2jjx s VAL 98 N -0.64 1.18 -0.13 2.63 -7.23 -1.25 0.58 120.40 115.53 2jjx s VAL 98 Ca 0.31 -0.43 -0.01 0.00 -1.81 0.00 0.00 61.98 60.04 2jjx s VAL 98 Cb -0.19 -1.14 -0.02 0.00 0.56 0.00 0.00 36.38 35.59 2jjx s VAL 98 CO 0.19 0.39 -0.09 -0.13 -0.31 0.00 0.00 175.10 175.14 2jjx s ARG 99 N 1.31 3.44 -0.24 4.82 1.81 0.30 -4.92 118.95 125.48 2jjx s ARG 99 Ca -0.02 -0.62 -0.13 0.00 -1.72 0.00 0.00 55.73 53.25 2jjx s ARG 99 Cb -0.14 -2.73 -0.04 0.00 -0.45 0.00 0.00 34.95 31.59 2jjx s ARG 99 CO -0.05 0.26 0.27 0.08 -0.68 0.00 0.00 175.30 175.18 2jjx s VAL 100 N 0.27 5.28 -0.08 3.52 1.01 -1.26 -0.23 120.40 128.91 2jjx s VAL 100 Ca -0.07 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.35 2jjx s VAL 100 Cb -0.15 -3.60 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 2jjx s VAL 100 CO 0.04 0.28 -0.22 -0.04 0.00 0.00 0.00 175.10 175.16 2jjx s MET 101 N 1.36 2.67 0.16 2.72 -1.94 0.52 -1.61 119.30 123.18 2jjx s MET 101 Ca 0.12 -0.80 0.06 0.00 -1.71 0.00 0.00 55.69 53.36 2jjx s MET 101 Cb -0.14 -2.09 -0.04 0.00 2.01 0.00 0.00 34.83 34.57 2jjx s MET 101 CO 0.07 0.20 0.08 0.95 -0.01 0.00 0.00 175.02 176.30 2jjx s THR 102 N 0.28 4.18 -1.74 2.05 -4.23 -0.33 -1.95 115.64 113.90 2jjx s THR 102 Ca -0.14 -1.19 0.25 0.00 -1.18 0.00 0.00 61.69 59.43 2jjx s THR 102 Cb -0.16 -3.11 0.16 0.00 1.34 0.00 0.00 72.50 70.73 2jjx s THR 102 CO 0.07 -0.09 1.42 -1.54 -0.54 0.00 0.00 174.62 173.94 2jjx n SER 103 N -0.18 1.23 -3.79 3.99 3.41 -1.07 0.03 113.62 117.24 2jjx n SER 103 Ca -0.09 -1.00 -0.30 0.00 -0.26 0.00 0.00 58.87 57.23 2jjx n SER 103 Cb 0.55 0.26 -0.13 0.00 -0.26 0.00 0.00 64.21 64.62 2jjx n SER 103 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2jjx s ILE 104 N -2.55 1.86 -0.31 -1.33 1.01 -1.26 -4.82 121.20 113.80 2jjx s ILE 104 Ca 0.21 -2.91 -0.37 0.00 0.00 0.00 0.00 60.65 57.58 2jjx s ILE 104 Cb 0.19 -2.29 -0.13 0.00 0.01 0.00 0.00 42.46 40.24 2jjx s ILE 104 CO 0.56 -0.88 2.04 -0.81 0.00 0.00 0.00 174.94 175.85 2jjx n PRO 105 N 3.30 1.14 -0.07 2.79 -0.04 -1.26 -4.77 135.00 136.08 2jjx n PRO 105 Ca 0.08 0.36 -0.03 0.00 -0.04 0.00 0.00 63.50 63.87 2jjx n PRO 105 Cb 0.34 -2.32 -0.15 0.00 -0.04 0.00 0.00 33.50 31.33 2jjx n PRO 105 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2jjx n PHE 106 N 8.16 0.00 -1.33 0.54 3.72 -1.26 -5.01 117.46 122.28 2jjx n PHE 106 Ca 0.36 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.76 2jjx n PHE 106 Cb 0.19 -0.79 0.00 0.00 -0.94 0.00 0.00 39.48 37.94 2jjx n PHE 106 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2jjx n ASN 107 N -2.55 -4.35 -1.46 4.37 3.02 -1.03 -4.45 115.26 108.82 2jjx n ASN 107 Ca -0.23 0.80 -0.13 0.00 -0.03 0.00 0.00 54.58 54.99 2jjx n ASN 107 Cb 0.94 -3.34 -0.05 0.00 -0.61 0.00 0.00 39.78 36.71 2jjx n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jjx n ALA 108 N -1.66 -0.24 0.00 5.41 0.00 -1.26 -4.33 120.51 118.43 2jjx n ALA 108 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2jjx n ALA 108 Cb 0.13 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.16 2jjx n ALA 108 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2jjx n VAL 109 N -1.99 0.00 -3.80 0.00 3.14 -1.26 -5.12 118.33 109.30 2jjx n VAL 109 Ca -0.14 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.17 2jjx n VAL 109 Cb 0.45 -0.04 -0.02 0.00 -1.06 0.00 0.00 33.84 33.17 2jjx n VAL 109 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jjx s ALA 110 N -1.09 -1.29 0.20 1.55 0.00 -1.26 -5.04 121.76 114.83 2jjx s ALA 110 Ca 0.00 -0.18 -0.28 0.00 0.00 0.00 0.00 51.96 51.50 2jjx s ALA 110 Cb 0.00 0.84 -0.08 0.00 0.00 0.00 0.00 23.12 23.88 2jjx s ALA 110 CO 0.00 -1.01 0.86 -1.21 0.00 0.00 0.00 175.76 174.40 2jjx s GLU 111 N -3.86 4.71 0.34 0.00 2.02 -0.63 -2.46 118.70 118.82 2jjx s GLU 111 Ca 0.10 1.32 -0.29 0.00 0.02 0.00 0.00 54.97 56.13 2jjx s GLU 111 Cb -0.05 -3.27 -0.11 0.00 0.10 0.00 0.00 34.13 30.80 2jjx s GLU 111 CO 0.04 0.54 1.47 -1.25 0.02 0.00 0.00 175.26 176.08 2jjx s PRO 112 N -1.14 4.17 0.00 0.39 0.04 -1.26 -1.18 135.00 136.02 2jjx s PRO 112 Ca 0.38 2.48 -0.30 0.00 0.04 0.00 0.00 61.00 63.60 2jjx s PRO 112 Cb -0.25 -3.01 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 2jjx s PRO 112 CO 0.29 -0.47 1.37 -0.47 0.04 0.00 0.00 177.00 177.76 2jjx s TYR 113 N -0.82 2.94 -0.04 0.56 5.04 0.10 -4.70 117.35 120.43 2jjx s TYR 113 Ca 0.55 0.89 -0.00 0.00 -2.44 0.00 0.00 57.07 56.06 2jjx s TYR 113 Cb -0.45 -3.63 0.03 0.00 0.35 0.00 0.00 41.96 38.26 2jjx s TYR 113 CO 0.57 -2.27 0.01 0.42 -1.34 0.00 0.00 175.55 172.93 2jjx s ILE 114 N 2.24 0.22 0.01 3.14 1.01 -1.26 -4.96 121.20 121.60 2jjx s ILE 114 Ca 0.63 0.13 -0.03 0.00 0.00 0.00 0.00 60.65 61.37 2jjx s ILE 114 Cb -0.31 -0.36 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 2jjx s ILE 114 CO 0.26 0.19 1.05 -0.09 0.00 0.00 0.00 174.94 176.36 2jjx h ARG 115 N 7.73 -0.06 -0.19 2.79 9.65 -1.99 -0.12 114.38 132.20 2jjx h ARG 115 Ca -0.31 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 58.63 2jjx h ARG 115 Cb 1.13 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 2jjx h ARG 115 CO 0.36 -0.04 0.25 -0.07 2.80 0.00 0.00 179.97 183.27 2jjx h LEU 116 N -0.06 0.00 -0.30 3.80 4.07 -1.98 0.50 115.31 121.34 2jjx h LEU 116 Ca 0.00 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.76 2jjx h LEU 116 Cb 0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 2jjx h LEU 116 CO -0.03 0.00 -0.68 -0.09 -1.08 0.00 0.00 178.44 176.56 2jjx h ARG 117 N 0.00 0.69 -0.38 1.13 2.43 -1.83 -1.74 114.38 114.69 2jjx h ARG 117 Ca 0.09 -0.51 -0.16 0.00 -0.81 0.00 0.00 59.98 58.59 2jjx h ARG 117 Cb 0.59 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2jjx h ARG 117 CO -0.00 1.13 -0.39 0.00 -1.51 0.00 0.00 179.97 179.20 2jjx h ALA 118 N 0.74 0.58 -0.33 2.80 0.00 0.18 -0.67 119.26 122.56 2jjx h ALA 118 Ca -0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 2jjx h ALA 118 Cb 1.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2jjx h ALA 118 CO 0.14 0.68 0.07 0.28 0.00 0.00 0.00 179.25 180.42 2jjx h VAL 119 N 0.75 1.22 0.11 0.00 2.07 -0.97 -2.07 116.25 117.37 2jjx h VAL 119 Ca 0.06 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.84 2jjx h VAL 119 Cb 0.98 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 2jjx h VAL 119 CO 0.10 0.25 -0.27 0.45 0.02 0.00 0.00 177.57 178.12 2jjx h HIS 120 N 0.37 -0.72 -0.24 1.57 -0.00 -1.17 0.43 115.15 115.39 2jjx h HIS 120 Ca 0.10 0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.54 2jjx h HIS 120 Cb 0.31 0.30 -0.08 0.00 -0.00 0.00 0.00 27.41 27.94 2jjx h HIS 120 CO 0.02 -0.37 -0.39 0.45 -0.00 0.00 0.00 177.93 177.63 2jjx h HIS 121 N -0.48 -1.12 -0.64 2.45 3.86 -1.01 0.17 115.15 118.39 2jjx h HIS 121 Ca 0.03 0.05 0.13 0.00 -1.16 0.00 0.00 60.37 59.42 2jjx h HIS 121 Cb 0.51 0.52 -0.09 0.00 1.06 0.00 0.00 27.41 29.41 2jjx h HIS 121 CO -0.25 -0.44 0.13 -0.07 0.86 0.00 0.00 177.93 178.16 2jjx h LEU 122 N -0.40 -0.03 -1.10 2.43 4.07 -1.13 0.19 115.31 119.35 2jjx h LEU 122 Ca 0.11 0.13 0.05 0.00 0.08 0.00 0.00 57.88 58.24 2jjx h LEU 122 Cb 0.59 0.18 -0.06 0.00 1.08 0.00 0.00 40.66 42.45 2jjx h LEU 122 CO -0.46 -0.02 0.61 0.44 -1.08 0.00 0.00 178.44 177.93 2jjx h ASP 123 N 0.25 0.98 -0.02 -0.43 3.32 -0.32 -1.15 116.42 119.06 2jjx h ASP 123 Ca 0.34 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 2jjx h ASP 123 Cb 0.53 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2jjx h ASP 123 CO -0.44 0.66 0.00 0.59 -1.72 0.00 0.00 179.24 178.33 2jjx n ASN 124 N -4.46 0.74 -0.14 6.45 3.02 0.61 -4.87 115.26 116.61 2jjx n ASN 124 Ca 0.13 -2.02 -0.02 0.00 -0.03 0.00 0.00 54.58 52.65 2jjx n ASN 124 Cb 0.13 -0.32 -0.01 0.00 -0.61 0.00 0.00 39.78 38.98 2jjx n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jjx n GLY 125 N 0.21 0.49 3.82 7.41 0.00 -0.43 -5.02 105.19 111.66 2jjx n GLY 125 Ca 0.01 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2jjx n GLY 125 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jjx s TYR 126 N -1.82 2.97 -0.23 1.61 2.02 -0.81 -4.72 117.35 116.37 2jjx s TYR 126 Ca 0.00 1.21 -0.11 0.00 -0.37 0.00 0.00 57.07 57.80 2jjx s TYR 126 Cb 0.00 -3.05 -0.05 0.00 -0.40 0.00 0.00 41.96 38.46 2jjx s TYR 126 CO 0.00 -1.56 0.16 0.42 -1.57 0.00 0.00 175.55 173.00 2jjx s ILE 127 N -3.15 5.37 -0.10 2.71 1.01 0.20 -4.49 121.20 122.75 2jjx s ILE 127 Ca 0.60 0.20 0.01 0.00 0.00 0.00 0.00 60.65 61.46 2jjx s ILE 127 Cb -0.14 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 2jjx s ILE 127 CO 0.54 0.37 -0.14 0.68 0.00 0.00 0.00 174.94 176.40 2jjx s VAL 128 N 0.85 3.03 -0.11 2.92 -7.23 -0.99 0.11 120.40 118.97 2jjx s VAL 128 Ca 0.08 -0.69 0.02 0.00 -1.81 0.00 0.00 61.98 59.57 2jjx s VAL 128 Cb -0.13 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 2jjx s VAL 128 CO 0.03 0.55 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.58 2jjx s ILE 129 N -0.01 2.84 -0.22 -0.62 1.01 0.68 -0.40 121.20 124.48 2jjx s ILE 129 Ca -0.04 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 59.80 2jjx s ILE 129 Cb -0.14 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 2jjx s ILE 129 CO 0.04 0.54 0.02 -0.36 0.00 0.00 0.00 174.94 175.19 2jjx s PHE 130 N 0.12 3.05 0.22 3.97 2.99 0.16 -0.35 117.98 128.13 2jjx s PHE 130 Ca -0.08 -0.50 0.10 0.00 0.00 0.00 0.00 56.93 56.45 2jjx s PHE 130 Cb -0.15 -2.15 -0.04 0.00 0.00 0.00 0.00 43.02 40.67 2jjx s PHE 130 CO 0.05 -0.33 -0.12 0.20 -0.00 0.00 0.00 175.22 175.02 2jjx s GLY 131 N 1.31 1.74 -0.57 4.36 0.00 -0.82 -4.03 107.32 109.30 2jjx s GLY 131 Ca 0.04 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.14 2jjx s GLY 131 CO 0.02 -1.66 0.00 0.61 0.00 0.00 0.00 173.10 172.06 2jjx n GLY 132 N -0.24 0.53 5.71 0.20 0.00 -1.26 -2.58 105.19 107.55 2jjx n GLY 132 Ca -0.09 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2jjx n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jjx n GLY 133 N -1.73 1.09 0.01 -0.02 0.00 -1.26 -1.90 105.19 101.38 2jjx n GLY 133 Ca -0.06 0.58 0.04 0.00 0.00 0.00 0.00 46.02 46.57 2jjx n GLY 133 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jjx n ASN 134 N 2.91 3.07 0.00 1.61 4.05 -1.26 -4.78 115.26 120.86 2jjx n ASN 134 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2jjx n ASN 134 Cb 0.00 1.33 0.00 0.00 1.23 0.00 0.00 39.78 42.34 2jjx n ASN 134 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2jjx n GLY 135 N 2.06 2.90 3.91 8.20 0.00 -0.80 -5.03 105.19 116.44 2jjx n GLY 135 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 2jjx n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jjx s GLN 136 N -0.46 3.58 0.69 1.61 -1.52 -1.26 -5.07 119.66 117.23 2jjx s GLN 136 Ca 0.00 -0.06 0.01 0.00 -1.95 0.00 0.00 55.36 53.36 2jjx s GLN 136 Cb 0.00 -2.61 0.11 0.00 -0.22 0.00 0.00 33.01 30.29 2jjx s GLN 136 CO 0.00 0.14 0.95 -1.25 -0.25 0.00 0.00 175.29 174.88 2jjx s PRO 137 N -3.92 1.83 0.00 2.91 0.04 -1.26 -4.44 135.00 130.16 2jjx s PRO 137 Ca 0.43 -1.15 0.00 0.00 0.04 0.00 0.00 61.00 60.33 2jjx s PRO 137 Cb -0.10 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2jjx s PRO 137 CO 0.33 -1.31 0.00 1.19 0.04 0.00 0.00 177.00 177.26 2jjx n PHE 138 N -2.72 0.00 -4.34 0.56 0.99 -1.26 -4.92 117.46 105.77 2jjx n PHE 138 Ca 0.14 0.00 -0.25 0.00 -0.00 0.00 0.00 57.45 57.35 2jjx n PHE 138 Cb 0.61 -1.27 -0.12 0.00 -1.00 0.00 0.00 39.48 37.70 2jjx n PHE 138 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2jjx s VAL 139 N -1.56 1.94 0.61 -4.37 0.11 -1.26 -5.14 120.40 110.73 2jjx s VAL 139 Ca 0.00 -1.77 0.04 0.00 -2.93 0.00 0.00 61.98 57.32 2jjx s VAL 139 Cb 0.00 -1.81 0.09 0.00 -1.53 0.00 0.00 36.38 33.13 2jjx s VAL 139 CO 0.00 -0.12 0.85 -0.89 -3.33 0.00 0.00 175.10 171.60 2jjx s THR 140 N -1.49 2.31 0.42 5.04 2.01 -1.26 -5.00 115.64 117.67 2jjx s THR 140 Ca 0.13 -0.79 0.10 0.00 0.31 0.00 0.00 61.69 61.44 2jjx s THR 140 Cb -0.08 -2.51 0.29 0.00 0.01 0.00 0.00 72.50 70.21 2jjx s THR 140 CO 0.06 0.00 2.03 0.74 -0.69 0.00 0.00 174.62 176.76 2jjx h THR 141 N -0.07 1.01 0.12 -0.82 2.02 -2.00 -3.14 112.91 110.03 2jjx h THR 141 Ca -0.35 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 66.69 2jjx h THR 141 Cb 1.28 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 2jjx h THR 141 CO 0.42 0.09 -0.36 0.44 0.37 0.00 0.00 175.52 176.48 2jjx h ASP 142 N 0.48 -1.04 0.50 4.18 3.32 -1.99 -2.89 116.42 118.97 2jjx h ASP 142 Ca 0.20 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 2jjx h ASP 142 Cb 0.20 0.39 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 2jjx h ASP 142 CO -0.05 -0.44 -0.37 0.22 -1.72 0.00 0.00 179.24 176.88 2jjx h TYR 143 N -0.59 -0.98 -0.12 4.55 3.20 -1.92 -2.22 116.97 118.90 2jjx h TYR 143 Ca 0.03 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.93 2jjx h TYR 143 Cb 0.62 0.36 -0.00 0.00 1.54 0.00 0.00 36.73 39.25 2jjx h TYR 143 CO -0.32 -0.54 0.09 -1.35 -1.64 0.00 0.00 178.16 174.41 2jjx h PRO 144 N -0.84 0.00 0.01 1.82 0.11 -1.68 -0.94 132.00 130.46 2jjx h PRO 144 Ca -0.05 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.84 2jjx h PRO 144 Cb 0.71 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 2jjx h PRO 144 CO 0.01 0.00 -0.93 0.66 -0.21 0.00 0.00 178.00 177.54 2jjx h SER 145 N 0.00 0.43 0.51 -2.05 4.64 -1.27 -1.11 113.55 114.70 2jjx h SER 145 Ca 0.05 -0.35 -0.18 0.00 -0.47 0.00 0.00 61.79 60.85 2jjx h SER 145 Cb 0.24 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2jjx h SER 145 CO -0.00 1.15 -0.78 1.62 -0.87 0.00 0.00 176.83 177.96 2jjx h VAL 146 N 0.18 1.46 -0.02 0.95 3.04 -0.84 -1.23 116.25 119.79 2jjx h VAL 146 Ca -0.07 -2.39 -0.00 0.00 -1.01 0.00 0.00 66.70 63.23 2jjx h VAL 146 Cb 1.57 2.30 -0.00 0.00 -2.01 0.00 0.00 31.29 33.14 2jjx h VAL 146 CO 0.15 0.70 0.00 -0.61 -1.01 0.00 0.00 177.57 176.81 2jjx h GLN 147 N 0.13 0.03 -0.53 4.17 4.15 -1.14 -1.13 115.11 120.79 2jjx h GLN 147 Ca -0.03 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.39 2jjx h GLN 147 Cb 1.36 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.02 2jjx h GLN 147 CO 0.12 0.29 0.35 0.00 -1.93 0.00 0.00 178.83 177.66 2jjx h ARG 148 N -0.23 0.68 0.48 1.69 2.47 -1.20 -0.68 114.38 117.59 2jjx h ARG 148 Ca 0.01 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 2jjx h ARG 148 Cb 0.27 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 2jjx h ARG 148 CO 0.00 0.45 -0.25 0.00 0.56 0.00 0.00 179.97 180.73 2jjx h ALA 149 N 1.67 -0.67 -0.16 0.04 0.00 -0.69 -1.03 119.26 118.43 2jjx h ALA 149 Ca 0.20 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2jjx h ALA 149 Cb -0.05 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2jjx h ALA 149 CO -0.04 -0.88 -0.01 0.82 0.00 0.00 0.00 179.25 179.13 2jjx h ILE 150 N -0.67 0.87 -0.76 0.00 2.04 -0.83 -0.89 117.51 117.27 2jjx h ILE 150 Ca -0.06 -0.01 0.18 0.00 1.00 0.00 0.00 64.86 65.96 2jjx h ILE 150 Cb 0.52 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 2jjx h ILE 150 CO 0.09 0.01 0.52 -0.33 0.00 0.00 0.00 178.15 178.44 2jjx h GLU 151 N 0.04 0.26 -0.02 2.37 5.08 -1.03 0.52 114.58 121.79 2jjx h GLU 151 Ca 0.08 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2jjx h GLU 151 Cb 0.10 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2jjx h GLU 151 CO -0.14 0.17 -0.02 -0.12 -1.00 0.00 0.00 179.01 177.90 2jjx n MET 152 N -4.44 1.79 -3.20 2.33 1.56 -0.40 -4.91 117.12 109.86 2jjx n MET 152 Ca 0.15 -1.20 -0.15 0.00 -0.27 0.00 0.00 57.70 56.23 2jjx n MET 152 Cb 0.65 -1.48 0.05 0.00 2.15 0.00 0.00 33.22 34.60 2jjx n MET 152 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2jjx n ASN 153 N 0.44 -4.68 -4.78 6.12 4.13 0.17 -4.98 115.26 111.69 2jjx n ASN 153 Ca 0.17 -0.35 -0.33 0.00 1.68 0.00 0.00 54.58 55.74 2jjx n ASN 153 Cb 0.42 -3.46 0.04 0.00 -1.54 0.00 0.00 39.78 35.24 2jjx n ASN 153 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2jjx s SER 154 N -3.25 5.29 0.14 6.41 0.01 -0.53 -4.88 113.70 116.89 2jjx s SER 154 Ca 0.36 1.99 0.19 0.00 1.31 0.00 0.00 55.95 59.80 2jjx s SER 154 Cb -0.16 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.46 2jjx s SER 154 CO 0.48 -1.51 0.97 0.44 0.41 0.00 0.00 173.24 174.03 2jjx h ASP 155 N 0.24 0.00 -4.77 2.44 3.32 -0.78 -3.47 116.42 113.41 2jjx h ASP 155 Ca -0.47 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.63 2jjx h ASP 155 Cb 1.24 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.65 2jjx h ASP 155 CO 0.55 0.38 0.38 0.00 -1.72 0.00 0.00 179.24 178.83 2jjx s ALA 156 N -3.07 -1.74 -0.20 3.45 0.00 -1.23 -4.39 121.76 114.59 2jjx s ALA 156 Ca -0.01 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2jjx s ALA 156 Cb 0.09 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.76 2jjx s ALA 156 CO 0.79 -0.69 -0.16 -1.50 0.00 0.00 0.00 175.76 174.20 2jjx s ILE 157 N -3.21 2.33 -0.37 0.00 2.07 0.36 -2.23 121.20 120.15 2jjx s ILE 157 Ca 0.03 -0.92 -0.15 0.00 -1.41 0.00 0.00 60.65 58.19 2jjx s ILE 157 Cb -0.01 -2.04 0.00 0.00 0.13 0.00 0.00 42.46 40.54 2jjx s ILE 157 CO -0.09 0.46 0.36 -0.76 -1.91 0.00 0.00 174.94 172.99 2jjx s LEU 158 N 1.31 4.65 -0.71 8.50 1.43 0.01 -0.81 118.68 133.06 2jjx s LEU 158 Ca 0.04 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.52 2jjx s LEU 158 Cb -0.14 -2.30 0.16 0.00 0.03 0.00 0.00 46.19 43.94 2jjx s LEU 158 CO -0.10 -0.41 0.70 0.54 0.23 0.00 0.00 176.35 177.31 2jjx s VAL 159 N 1.97 5.28 0.03 -1.59 0.11 0.16 -0.76 120.40 125.61 2jjx s VAL 159 Ca 0.10 -1.85 -0.30 0.00 -2.93 0.00 0.00 61.98 57.00 2jjx s VAL 159 Cb -0.17 -4.46 -0.06 0.00 -1.53 0.00 0.00 36.38 30.16 2jjx s VAL 159 CO 0.12 -1.03 1.47 0.00 -3.33 0.00 0.00 175.10 172.33 2jjx s ALA 160 N 1.24 3.61 0.21 1.54 0.00 -0.61 -3.16 121.76 124.60 2jjx s ALA 160 Ca 0.13 0.99 0.08 0.00 0.00 0.00 0.00 51.96 53.17 2jjx s ALA 160 Cb -0.18 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 2jjx s ALA 160 CO -0.03 -0.95 -0.00 0.15 0.00 0.00 0.00 175.76 174.94 2jjx s LYS 161 N 2.37 2.35 -0.20 0.00 -0.14 0.13 -4.54 119.74 119.71 2jjx s LYS 161 Ca 0.67 -1.24 -0.03 0.00 -1.36 0.00 0.00 55.97 54.00 2jjx s LYS 161 Cb -0.34 -2.27 -0.01 0.00 -1.68 0.00 0.00 37.83 33.52 2jjx s LYS 161 CO 0.28 0.42 -0.05 1.14 -0.76 0.00 0.00 175.35 176.38 2jjx s GLN 162 N -3.26 3.44 0.00 1.68 -2.07 -1.26 0.50 119.66 118.69 2jjx s GLN 162 Ca 0.29 -0.61 0.00 0.00 -1.82 0.00 0.00 55.36 53.22 2jjx s GLN 162 Cb -0.08 -2.95 0.00 0.00 -1.09 0.00 0.00 33.01 28.88 2jjx s GLN 162 CO 0.19 -0.07 0.00 0.41 -1.32 0.00 0.00 175.29 174.50 2jjx n GLY 163 N 4.41 2.42 3.58 2.60 0.00 -1.26 -4.99 105.19 111.95 2jjx n GLY 163 Ca -0.18 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 2jjx n GLY 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jjx s VAL 164 N -0.24 5.05 -2.00 1.61 0.11 -1.26 -4.98 120.40 118.68 2jjx s VAL 164 Ca 0.00 0.48 0.08 0.00 -2.93 0.00 0.00 61.98 59.61 2jjx s VAL 164 Cb 0.00 -3.90 0.22 0.00 -1.53 0.00 0.00 36.38 31.17 2jjx s VAL 164 CO 0.00 -0.10 0.97 -0.67 -3.33 0.00 0.00 175.10 171.97 2jjx n ASP 165 N 5.64 0.00 0.00 3.54 4.64 -1.26 -3.80 116.55 125.31 2jjx n ASP 165 Ca -0.05 -0.94 0.00 0.00 -1.38 0.00 0.00 54.79 52.42 2jjx n ASP 165 Cb 0.49 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.57 2jjx n ASP 165 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2jjx n GLY 166 N 0.13 -0.62 3.23 0.27 0.00 -1.26 -3.81 105.19 103.13 2jjx n GLY 166 Ca 0.06 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 2jjx n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jjx s VAL 167 N -3.79 2.93 0.31 1.61 1.01 -1.26 -4.89 120.40 116.32 2jjx s VAL 167 Ca 0.00 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.26 2jjx s VAL 167 Cb 0.00 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 2jjx s VAL 167 CO 0.00 0.36 0.39 -0.36 0.00 0.00 0.00 175.10 175.48 2jjx s PHE 168 N 1.38 3.11 0.09 5.22 0.40 -1.26 -0.61 117.98 126.32 2jjx s PHE 168 Ca 0.03 -0.20 -0.29 0.00 -0.60 0.00 0.00 56.93 55.87 2jjx s PHE 168 Cb -0.15 -1.83 -0.13 0.00 0.51 0.00 0.00 43.02 41.42 2jjx s PHE 168 CO -0.06 0.15 1.65 1.79 0.70 0.00 0.00 175.22 179.45 2jjx h THR 169 N 1.08 0.46 -3.56 0.64 1.35 -0.92 -3.43 112.91 108.53 2jjx h THR 169 Ca -0.47 0.00 -0.22 0.00 -0.55 0.00 0.00 66.41 65.17 2jjx h THR 169 Cb 1.25 0.46 -0.28 0.00 -1.73 0.00 0.00 68.15 67.85 2jjx h THR 169 CO 0.56 0.00 -0.65 -0.94 -0.25 0.00 0.00 175.52 174.24 2jjx s SER 170 N -4.71 -0.06 -0.14 5.36 1.04 -1.26 -5.01 113.70 108.92 2jjx s SER 170 Ca -0.16 0.13 -0.41 0.00 0.48 0.00 0.00 55.95 55.99 2jjx s SER 170 Cb 0.06 0.12 -0.19 0.00 0.10 0.00 0.00 66.02 66.11 2jjx s SER 170 CO 0.64 -0.04 1.33 0.47 0.98 0.00 0.00 173.24 176.62 2jjx n ASP 171 N 3.19 0.87 0.00 7.02 8.00 -1.26 -4.63 116.55 129.74 2jjx n ASP 171 Ca -0.14 1.15 0.13 0.00 0.71 0.00 0.00 54.79 56.64 2jjx n ASP 171 Cb 0.58 -0.99 0.71 0.00 -0.02 0.00 0.00 41.12 41.41 2jjx n ASP 171 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2jjx n PRO 172 N 2.74 0.53 0.41 -0.24 -0.04 -1.26 -1.38 135.00 135.76 2jjx n PRO 172 Ca 0.23 0.03 -0.18 0.00 -0.04 0.00 0.00 63.50 63.54 2jjx n PRO 172 Cb 0.07 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.95 2jjx n PRO 172 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2jjx h LYS 173 N 0.00 -1.00 0.00 0.54 1.63 -2.02 -3.37 116.57 112.35 2jjx h LYS 173 Ca 0.00 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 2jjx h LYS 173 Cb 0.16 0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 2jjx h LYS 173 CO 0.00 -0.65 0.00 0.72 -3.45 0.00 0.00 179.45 176.07 2jjx n HIS 174 N -5.50 0.00 0.00 1.91 -0.00 -1.23 -4.53 115.22 105.88 2jjx n HIS 174 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.58 2jjx n HIS 174 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.41 2jjx n HIS 174 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2jjx n ASN 175 N -0.12 0.00 0.00 0.41 4.13 -0.48 -4.76 115.26 114.45 2jjx n ASN 175 Ca 0.00 -0.40 0.00 0.00 1.68 0.00 0.00 54.58 55.86 2jjx n ASN 175 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2jjx n ASN 175 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2jjx n LYS 176 N 1.36 0.00 -2.58 3.52 5.02 -1.26 0.25 118.16 124.48 2jjx n LYS 176 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 2jjx n LYS 176 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 2jjx n LYS 176 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2jjx n SER 177 N -0.05 3.14 -4.88 4.39 3.41 -1.26 -5.07 113.62 113.30 2jjx n SER 177 Ca 0.00 -3.24 -0.30 0.00 -0.26 0.00 0.00 58.87 55.07 2jjx n SER 177 Cb 0.00 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.43 2jjx n SER 177 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jjx s ALA 178 N -3.33 3.37 0.14 7.33 0.00 0.70 -5.02 121.76 124.95 2jjx s ALA 178 Ca 0.38 -0.25 0.09 0.00 0.00 0.00 0.00 51.96 52.18 2jjx s ALA 178 Cb 0.43 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 2jjx s ALA 178 CO -0.08 -0.04 -0.21 0.15 0.00 0.00 0.00 175.76 175.58 2jjx s LYS 179 N -3.94 1.26 -0.15 0.00 1.02 -1.26 -4.90 119.74 111.77 2jjx s LYS 179 Ca 0.50 -1.32 -0.09 0.00 0.02 0.00 0.00 55.97 55.08 2jjx s LYS 179 Cb -0.10 -1.48 -0.04 0.00 -0.52 0.00 0.00 37.83 35.69 2jjx s LYS 179 CO 0.33 0.32 0.15 1.41 -0.92 0.00 0.00 175.35 176.65 2jjx s MET 180 N -2.37 3.79 0.18 1.68 -2.45 -1.26 -0.19 119.30 118.67 2jjx s MET 180 Ca 0.13 -0.14 -0.30 0.00 -1.25 0.00 0.00 55.69 54.13 2jjx s MET 180 Cb -0.08 -3.29 -0.07 0.00 1.25 0.00 0.00 34.83 32.63 2jjx s MET 180 CO 0.06 0.56 1.05 0.71 1.05 0.00 0.00 175.02 178.45 2jjx s TYR 181 N -0.41 3.69 -0.00 4.11 2.02 0.22 -0.57 117.35 126.40 2jjx s TYR 181 Ca 0.13 1.69 -0.17 0.00 -0.37 0.00 0.00 57.07 58.35 2jjx s TYR 181 Cb -0.12 -3.19 -0.34 0.00 -0.40 0.00 0.00 41.96 37.91 2jjx s TYR 181 CO 0.02 -0.30 0.92 -0.09 -1.57 0.00 0.00 175.55 174.53 2jjx h ARG 182 N 5.03 0.47 -4.88 -0.62 9.65 -1.83 -3.38 114.38 118.81 2jjx h ARG 182 Ca -0.44 -0.80 -0.36 0.00 -1.10 0.00 0.00 59.98 57.28 2jjx h ARG 182 Cb 1.21 0.30 -0.24 0.00 -1.39 0.00 0.00 29.97 29.85 2jjx h ARG 182 CO 0.71 1.38 -0.76 0.15 2.80 0.00 0.00 179.97 184.26 2jjx s LYS 183 N -2.56 0.69 -0.03 0.20 1.02 -1.26 -1.95 119.74 115.84 2jjx s LYS 183 Ca -0.11 -0.69 -0.01 0.00 0.02 0.00 0.00 55.97 55.17 2jjx s LYS 183 Cb 0.04 -0.60 0.03 0.00 -0.52 0.00 0.00 37.83 36.77 2jjx s LYS 183 CO 0.91 0.14 0.04 -1.17 -0.92 0.00 0.00 175.35 174.35 2jjx s LEU 184 N -1.22 0.53 0.51 3.17 2.96 -0.52 -1.80 118.68 122.32 2jjx s LEU 184 Ca -0.03 0.05 -0.18 0.00 -0.22 0.00 0.00 54.13 53.75 2jjx s LEU 184 Cb -0.08 -0.14 -0.07 0.00 0.50 0.00 0.00 46.19 46.40 2jjx s LEU 184 CO 0.01 -0.20 1.02 0.21 -1.32 0.00 0.00 176.35 176.07 2jjx s ASN 185 N 1.73 6.31 0.00 3.68 2.47 -1.26 -0.40 114.94 127.48 2jjx s ASN 185 Ca -0.00 1.81 0.00 0.00 0.42 0.00 0.00 52.86 55.08 2jjx s ASN 185 Cb -0.12 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 2jjx s ASN 185 CO -0.03 -0.80 0.49 -1.22 -3.72 0.00 0.00 177.10 171.82 2jjx n TYR 186 N -1.33 0.00 -0.42 0.43 4.01 -0.68 -1.91 117.16 117.26 2jjx n TYR 186 Ca 0.08 0.00 0.34 0.00 -0.16 0.00 0.00 57.90 58.16 2jjx n TYR 186 Cb 0.53 -0.08 0.54 0.00 -0.31 0.00 0.00 39.34 40.02 2jjx n TYR 186 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2jjx n ASN 187 N -0.75 0.09 -0.08 7.72 3.02 -1.26 0.26 115.26 124.26 2jjx n ASN 187 Ca 0.00 0.89 -0.14 0.00 -0.03 0.00 0.00 54.58 55.29 2jjx n ASN 187 Cb 0.00 -0.44 -0.05 0.00 -0.61 0.00 0.00 39.78 38.68 2jjx n ASN 187 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2jjx h ASP 188 N 0.00 0.81 -0.76 6.41 5.19 -1.95 -0.87 116.42 125.26 2jjx h ASP 188 Ca 0.66 -0.52 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 2jjx h ASP 188 Cb 2.37 -0.23 -0.04 0.00 0.18 0.00 0.00 39.33 41.61 2jjx h ASP 188 CO -0.20 1.18 0.49 1.62 -3.12 0.00 0.00 179.24 179.22 2jjx h VAL 189 N 0.47 1.20 0.12 -1.35 3.04 0.43 -0.67 116.25 119.49 2jjx h VAL 189 Ca 0.02 -0.38 -0.29 0.00 -1.01 0.00 0.00 66.70 65.04 2jjx h VAL 189 Cb 1.02 0.09 0.03 0.00 -2.01 0.00 0.00 31.29 30.41 2jjx h VAL 189 CO 0.10 0.20 -1.23 1.62 -1.01 0.00 0.00 177.57 177.24 2jjx h VAL 190 N 1.04 1.31 0.16 1.51 3.04 -1.47 0.43 116.25 122.28 2jjx h VAL 190 Ca 0.28 -2.53 -0.00 0.00 -1.01 0.00 0.00 66.70 63.44 2jjx h VAL 190 Cb -0.10 2.71 -0.01 0.00 -2.01 0.00 0.00 31.29 31.87 2jjx h VAL 190 CO -0.06 0.76 -0.22 0.03 -1.01 0.00 0.00 177.57 177.08 2jjx h ARG 191 N 0.25 -0.38 -0.96 4.17 3.08 -0.80 -1.09 114.38 118.65 2jjx h ARG 191 Ca -0.18 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2jjx h ARG 191 Cb 1.90 0.09 0.00 0.00 0.08 0.00 0.00 29.97 32.04 2jjx h ARG 191 CO 0.23 -0.25 0.00 1.04 -1.07 0.00 0.00 179.97 179.92 2jjx n GLN 192 N -3.66 0.85 -3.09 0.04 6.02 -0.29 -4.85 117.38 112.40 2jjx n GLN 192 Ca -0.05 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.81 2jjx n GLN 192 Cb 0.19 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.16 2jjx n GLN 192 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2jjx n ASN 193 N 0.27 -2.45 -4.79 1.08 5.15 -0.41 -4.87 115.26 109.23 2jjx n ASN 193 Ca 0.00 -0.46 -0.38 0.00 -0.60 0.00 0.00 54.58 53.13 2jjx n ASN 193 Cb 0.29 -0.81 -0.06 0.00 -0.53 0.00 0.00 39.78 38.68 2jjx n ASN 193 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2jjx s ILE 194 N -2.35 5.02 -0.76 -1.44 1.01 0.15 -5.01 121.20 117.82 2jjx s ILE 194 Ca 0.02 0.97 -0.02 0.00 0.00 0.00 0.00 60.65 61.62 2jjx s ILE 194 Cb -0.00 -3.80 0.19 0.00 0.01 0.00 0.00 42.46 38.86 2jjx s ILE 194 CO 0.45 0.48 0.62 -1.10 0.00 0.00 0.00 174.94 175.39 2jjx s GLN 195 N -0.44 2.93 -0.01 2.79 -0.21 -1.26 -4.73 119.66 118.73 2jjx s GLN 195 Ca 0.26 -2.94 -0.00 0.00 0.02 0.00 0.00 55.36 52.70 2jjx s GLN 195 Cb -0.17 -3.84 -0.01 0.00 1.00 0.00 0.00 33.01 29.99 2jjx s GLN 195 CO 0.14 -1.23 -0.01 0.28 -2.12 0.00 0.00 175.29 172.35 2jjx n VAL 196 N 2.86 0.06 -3.73 1.09 0.31 -1.26 -5.08 118.33 112.57 2jjx n VAL 196 Ca 0.15 -0.02 -0.13 0.00 -0.01 0.00 0.00 64.34 64.33 2jjx n VAL 196 Cb 0.37 -0.74 -0.08 0.00 -0.91 0.00 0.00 33.84 32.49 2jjx n VAL 196 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jjx s MET 197 N -2.02 0.79 0.13 5.55 0.23 -1.26 -5.14 119.30 117.58 2jjx s MET 197 Ca -0.01 -0.33 -0.23 0.00 -1.03 0.00 0.00 55.69 54.09 2jjx s MET 197 Cb 0.00 0.35 -0.14 0.00 -1.53 0.00 0.00 34.83 33.52 2jjx s MET 197 CO 0.02 -0.25 0.47 -0.25 -2.03 0.00 0.00 175.02 172.99 2jjx n ASP 198 N 0.83 -0.81 -0.03 -1.18 8.00 -1.26 -4.77 116.55 117.33 2jjx n ASP 198 Ca -0.20 0.88 -0.10 0.00 0.71 0.00 0.00 54.79 56.08 2jjx n ASP 198 Cb 0.58 -0.73 -0.04 0.00 -0.02 0.00 0.00 41.12 40.91 2jjx n ASP 198 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2jjx h GLN 199 N 1.03 0.15 -0.75 -1.24 4.20 -1.98 -1.26 115.11 115.25 2jjx h GLN 199 Ca -0.25 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.55 2jjx h GLN 199 Cb 1.11 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.81 2jjx h GLN 199 CO 0.45 0.10 0.49 0.00 -0.67 0.00 0.00 178.83 179.20 2jjx h ALA 200 N 1.09 1.80 -0.06 3.87 0.00 -1.99 0.25 119.26 124.22 2jjx h ALA 200 Ca 0.07 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 2jjx h ALA 200 Cb 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.67 2jjx h ALA 200 CO -0.06 0.05 -0.86 0.00 0.00 0.00 0.00 179.25 178.37 2jjx h ALA 201 N 1.62 0.38 -0.21 0.00 0.00 -1.83 -2.68 119.26 116.54 2jjx h ALA 201 Ca 0.35 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2jjx h ALA 201 Cb 0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2jjx h ALA 201 CO -0.13 0.75 0.09 1.25 0.00 0.00 0.00 179.25 181.21 2jjx h LEU 202 N 0.34 0.29 -0.58 0.00 7.12 0.03 -1.80 115.31 120.71 2jjx h LEU 202 Ca -0.07 -0.15 -0.04 0.00 0.13 0.00 0.00 57.88 57.76 2jjx h LEU 202 Cb 1.48 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 41.51 2jjx h LEU 202 CO 0.16 0.36 0.23 -0.07 -0.13 0.00 0.00 178.44 178.99 2jjx h LEU 203 N 0.20 0.81 0.63 2.25 4.07 -0.59 -0.38 115.31 122.29 2jjx h LEU 203 Ca 0.07 -0.18 -0.03 0.00 0.08 0.00 0.00 57.88 57.83 2jjx h LEU 203 Cb 0.16 -0.21 0.01 0.00 1.08 0.00 0.00 40.66 41.69 2jjx h LEU 203 CO -0.01 0.76 -0.30 0.25 -1.08 0.00 0.00 178.44 178.06 2jjx h LEU 204 N 0.80 -0.72 -1.19 1.67 6.46 -1.32 0.26 115.31 121.27 2jjx h LEU 204 Ca 0.19 0.02 0.10 0.00 -0.12 0.00 0.00 57.88 58.08 2jjx h LEU 204 Cb 0.21 0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 40.26 2jjx h LEU 204 CO -0.01 -0.50 0.58 0.00 -0.62 0.00 0.00 178.44 177.88 2jjx h ALA 205 N -0.49 1.65 -0.32 1.25 0.00 -1.30 -0.90 119.26 119.15 2jjx h ALA 205 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 2jjx h ALA 205 Cb 0.66 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2jjx h ALA 205 CO 0.14 0.16 -0.40 -0.09 0.00 0.00 0.00 179.25 179.06 2jjx h ARG 206 N 0.87 0.79 -0.33 0.00 1.12 -0.49 0.16 114.38 116.51 2jjx h ARG 206 Ca 0.43 -0.42 -0.09 0.00 -1.11 0.00 0.00 59.98 58.79 2jjx h ARG 206 Cb 0.45 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.41 2jjx h ARG 206 CO -0.19 1.04 -0.19 -0.44 -3.11 0.00 0.00 179.97 177.09 2jjx h ASP 207 N 0.64 0.60 -0.26 -3.80 5.19 0.28 -3.03 116.42 116.04 2jjx h ASP 207 Ca 0.05 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 2jjx h ASP 207 Cb 0.96 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.31 2jjx h ASP 207 CO 0.09 0.80 0.00 -1.22 -3.12 0.00 0.00 179.24 175.79 2jjx n TYR 208 N -4.14 0.33 -1.04 4.55 4.01 -0.42 -4.98 117.16 115.46 2jjx n TYR 208 Ca 0.00 -0.18 -0.02 0.00 -0.16 0.00 0.00 57.90 57.55 2jjx n TYR 208 Cb 0.38 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.41 2jjx n TYR 208 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2jjx n ASN 209 N 1.31 -4.13 -4.71 7.72 3.02 0.37 -4.98 115.26 113.86 2jjx n ASN 209 Ca 0.16 0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.33 2jjx n ASN 209 Cb 0.56 -1.76 -0.03 0.00 -0.61 0.00 0.00 39.78 37.94 2jjx n ASN 209 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2jjx s LEU 210 N -0.35 4.37 0.23 3.41 0.20 -0.05 -4.98 118.68 121.51 2jjx s LEU 210 Ca 0.00 2.69 -0.13 0.00 0.69 0.00 0.00 54.13 57.38 2jjx s LEU 210 Cb 0.00 -3.59 -0.08 0.00 -0.43 0.00 0.00 46.19 42.09 2jjx s LEU 210 CO 0.00 -0.89 0.61 -2.16 -0.29 0.00 0.00 176.35 173.62 2jjx s PRO 211 N 1.39 3.92 0.08 0.98 0.04 -1.26 -4.63 135.00 135.52 2jjx s PRO 211 Ca 0.73 0.46 0.09 0.00 0.04 0.00 0.00 61.00 62.31 2jjx s PRO 211 Cb -0.45 -2.67 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 2jjx s PRO 211 CO 0.32 0.32 -0.24 0.00 0.04 0.00 0.00 177.00 177.43 2jjx s ALA 212 N -1.77 2.09 -0.15 8.56 0.00 -0.97 -0.49 121.76 129.04 2jjx s ALA 212 Ca 0.47 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2jjx s ALA 212 Cb -0.12 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.65 2jjx s ALA 212 CO 0.20 0.47 -0.19 -1.01 0.00 0.00 0.00 175.76 175.23 2jjx s HIS 213 N -0.95 2.48 -0.19 0.00 3.76 0.01 -0.59 115.29 119.81 2jjx s HIS 213 Ca 0.10 -1.35 -0.05 0.00 -0.15 0.00 0.00 55.06 53.61 2jjx s HIS 213 Cb -0.10 -1.74 -0.03 0.00 1.11 0.00 0.00 32.58 31.83 2jjx s HIS 213 CO 0.04 -0.67 0.01 0.08 -0.85 0.00 0.00 174.74 173.35 2jjx s VAL 214 N 1.14 4.16 0.32 -0.90 1.01 -0.51 0.39 120.40 126.01 2jjx s VAL 214 Ca -0.00 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.54 2jjx s VAL 214 Cb -0.14 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.41 2jjx s VAL 214 CO -0.07 0.45 0.74 0.72 0.00 0.00 0.00 175.10 176.93 2jjx s PHE 215 N 0.72 -0.04 -0.72 5.22 -0.71 -1.19 -0.35 117.98 120.92 2jjx s PHE 215 Ca 0.01 -0.51 -0.25 0.00 -1.04 0.00 0.00 56.93 55.13 2jjx s PHE 215 Cb -0.14 0.75 0.05 0.00 -1.21 0.00 0.00 43.02 42.47 2jjx s PHE 215 CO 0.02 -1.38 1.15 1.21 -1.34 0.00 0.00 175.22 174.89 2jjx s ASN 216 N -2.99 6.18 0.36 1.98 3.84 -1.25 -0.69 114.94 122.37 2jjx s ASN 216 Ca 0.13 -0.72 0.08 0.00 0.21 0.00 0.00 52.86 52.56 2jjx s ASN 216 Cb -0.05 -2.50 0.70 0.00 -0.55 0.00 0.00 41.25 38.84 2jjx s ASN 216 CO 0.09 -1.66 1.87 0.15 -2.79 0.00 0.00 177.10 174.76 2jjx h PHE 217 N 9.82 0.29 0.00 0.43 3.57 -0.28 -2.46 116.94 128.31 2jjx h PHE 217 Ca -0.26 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.20 2jjx h PHE 217 Cb 1.06 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.72 2jjx h PHE 217 CO 1.07 0.44 0.00 -0.25 -2.23 0.00 0.00 178.31 177.34 2jjx n ASP 218 N -4.23 0.09 -4.45 0.41 8.00 -1.25 -4.47 116.55 110.65 2jjx n ASP 218 Ca -0.01 0.54 -0.42 0.00 0.71 0.00 0.00 54.79 55.61 2jjx n ASP 218 Cb 0.31 -0.55 -0.10 0.00 -0.02 0.00 0.00 41.12 40.75 2jjx n ASP 218 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2jjx s GLU 219 N -3.07 3.01 0.35 -1.24 0.41 -0.93 -5.06 118.70 112.17 2jjx s GLU 219 Ca 0.02 -0.98 -0.26 0.00 -0.41 0.00 0.00 54.97 53.34 2jjx s GLU 219 Cb 0.03 -3.89 -0.13 0.00 -1.78 0.00 0.00 34.13 28.36 2jjx s GLU 219 CO 0.10 -0.69 0.87 -2.30 -0.49 0.00 0.00 175.26 172.74 2jjx n PRO 220 N 5.11 1.08 0.00 0.39 -0.01 -1.26 -2.66 135.00 137.65 2jjx n PRO 220 Ca -0.11 0.38 0.00 0.00 -0.01 0.00 0.00 63.50 63.76 2jjx n PRO 220 Cb 0.47 -1.77 0.00 0.00 -0.01 0.00 0.00 33.50 32.19 2jjx n PRO 220 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 2jjx n GLY 221 N 1.39 1.88 0.45 -1.23 0.00 -1.26 -4.88 105.19 101.54 2jjx n GLY 221 Ca 0.10 -0.34 0.27 0.00 0.00 0.00 0.00 46.02 46.05 2jjx n GLY 221 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2jjx h VAL 222 N 0.00 0.54 0.00 1.61 3.04 -1.83 0.16 116.25 119.77 2jjx h VAL 222 Ca 0.00 -0.06 -0.04 0.00 -1.01 0.00 0.00 66.70 65.59 2jjx h VAL 222 Cb 0.00 0.34 -0.01 0.00 -2.01 0.00 0.00 31.29 29.62 2jjx h VAL 222 CO 0.00 0.03 -0.17 -0.03 -1.01 0.00 0.00 177.57 176.40 2jjx h MET 223 N 0.18 0.00 0.16 4.17 -1.53 -1.90 -1.47 114.93 114.54 2jjx h MET 223 Ca 0.50 0.00 -0.24 0.00 -3.44 0.00 0.00 59.70 56.53 2jjx h MET 223 Cb 1.66 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 32.73 2jjx h MET 223 CO -0.11 0.17 -1.10 -0.09 0.14 0.00 0.00 176.91 175.91 2jjx h ARG 224 N 0.00 0.33 -0.46 0.39 2.43 -1.04 -2.99 114.38 113.03 2jjx h ARG 224 Ca -0.00 -0.57 0.07 0.00 -0.81 0.00 0.00 59.98 58.67 2jjx h ARG 224 Cb 0.70 0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 30.40 2jjx h ARG 224 CO 0.02 1.27 0.14 0.00 -1.51 0.00 0.00 179.97 179.89 2jjx h ARG 225 N -0.25 0.28 -0.43 0.20 3.08 -1.19 0.55 114.38 116.62 2jjx h ARG 225 Ca -0.21 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 59.87 2jjx h ARG 225 Cb 1.78 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.73 2jjx h ARG 225 CO 0.15 0.19 0.20 0.82 -1.07 0.00 0.00 179.97 180.26 2jjx h ILE 226 N 0.29 0.94 0.00 2.04 2.04 -1.35 0.17 117.51 121.65 2jjx h ILE 226 Ca 0.22 -0.14 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 2jjx h ILE 226 Cb 0.25 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2jjx h ILE 226 CO -0.25 0.07 -0.38 0.00 0.00 0.00 0.00 178.15 177.60 2jjx n LEU 228 N -3.57 0.00 0.00 0.00 4.77 0.18 -4.04 117.00 114.35 2jjx n LEU 228 Ca -0.00 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2jjx n LEU 228 Cb 0.50 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2jjx n LEU 228 CO 0.37 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2jjx n GLY 229 N 0.75 0.07 3.68 -0.72 0.00 -0.91 -4.85 105.19 103.21 2jjx n GLY 229 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 2jjx n GLY 229 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jjx s GLU 230 N -0.99 1.10 -0.73 1.61 2.02 -0.04 -4.40 118.70 117.28 2jjx s GLU 230 Ca 0.00 1.36 -0.03 0.00 0.02 0.00 0.00 54.97 56.31 2jjx s GLU 230 Cb 0.00 -1.75 0.18 0.00 0.10 0.00 0.00 34.13 32.66 2jjx s GLU 230 CO 0.00 -2.51 0.57 -1.01 0.02 0.00 0.00 175.26 172.33 2jjx s HIS 231 N -2.70 3.57 0.07 1.61 3.76 -1.26 -4.50 115.29 115.84 2jjx s HIS 231 Ca 0.66 -2.75 0.06 0.00 -0.15 0.00 0.00 55.06 52.87 2jjx s HIS 231 Cb -0.22 -3.26 -0.03 0.00 1.11 0.00 0.00 32.58 30.18 2jjx s HIS 231 CO 0.58 -0.82 -0.16 0.54 -0.85 0.00 0.00 174.74 174.03 2jjx s VAL 232 N -0.45 1.32 0.00 -0.90 0.11 -1.26 -5.07 120.40 114.15 2jjx s VAL 232 Ca 0.20 -1.29 0.00 0.00 -2.93 0.00 0.00 61.98 57.96 2jjx s VAL 232 Cb -0.15 -1.22 0.00 0.00 -1.53 0.00 0.00 36.38 33.48 2jjx s VAL 232 CO -0.06 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.22 2jjx n GLY 233 N 1.42 -0.35 3.58 6.54 0.00 -1.25 -4.82 105.19 110.31 2jjx n GLY 233 Ca -0.20 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 2jjx n GLY 233 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jjx s THR 234 N 0.00 3.57 -0.26 2.61 2.01 0.52 -4.71 115.64 119.39 2jjx s THR 234 Ca 0.00 -0.79 -0.00 0.00 0.31 0.00 0.00 61.69 61.21 2jjx s THR 234 Cb 0.00 -2.54 0.04 0.00 0.01 0.00 0.00 72.50 70.01 2jjx s THR 234 CO 0.00 0.41 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.04 2jjx s LEU 235 N -1.37 3.30 -0.29 4.42 0.20 -0.82 -1.43 118.68 122.70 2jjx s LEU 235 Ca 0.16 -1.09 -0.19 0.00 0.69 0.00 0.00 54.13 53.70 2jjx s LEU 235 Cb -0.11 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 44.01 2jjx s LEU 235 CO 0.07 -0.16 0.58 -0.63 -0.29 0.00 0.00 176.35 175.92 2jjx s ILE 236 N 1.24 5.00 0.07 6.68 1.01 0.24 -1.44 121.20 133.99 2jjx s ILE 236 Ca -0.03 0.87 0.01 0.00 0.00 0.00 0.00 60.65 61.50 2jjx s ILE 236 Cb -0.18 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 2jjx s ILE 236 CO -0.05 -0.04 0.05 -3.20 0.00 0.00 0.00 174.94 171.70 2jjx n ASN 237 N 5.73 -0.03 -0.59 3.58 4.05 0.47 -2.28 115.26 126.19 2jjx n ASN 237 Ca -0.02 -1.43 0.05 0.00 0.45 0.00 0.00 54.58 53.63 2jjx n ASN 237 Cb 0.49 0.32 0.13 0.00 1.23 0.00 0.00 39.78 41.95 2jjx n ASN 237 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2jjx n ASP 238 N -2.66 2.73 -3.48 1.20 -0.08 -1.26 -1.69 116.55 111.31 2jjx n ASP 238 Ca 0.01 -1.91 0.00 0.00 -1.51 0.00 0.00 54.79 51.38 2jjx n ASP 238 Cb 0.12 -0.19 0.00 0.00 2.34 0.00 0.00 41.12 43.39 2jjx n ASP 238 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2jjx n ASP 239 N 0.50 -0.50 -4.27 1.67 9.92 -1.26 -4.95 116.55 117.65 2jjx n ASP 239 Ca 0.10 -0.06 -0.32 0.00 -0.53 0.00 0.00 54.79 53.98 2jjx n ASP 239 Cb 0.40 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.71 2jjx n ASP 239 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jjx s ALA 240 N -2.41 2.29 0.10 2.24 0.00 -1.26 -4.60 121.76 118.12 2jjx s ALA 240 Ca 0.00 -0.97 -0.35 0.00 0.00 0.00 0.00 51.96 50.64 2jjx s ALA 240 Cb 0.00 -0.88 -0.18 0.00 0.00 0.00 0.00 23.12 22.06 2jjx s ALA 240 CO 0.00 0.32 1.07 0.43 0.00 0.00 0.00 175.76 177.58 2jjx n SER 241 N 3.37 0.57 0.00 0.00 7.64 -1.26 -4.86 113.62 119.07 2jjx n SER 241 Ca -0.18 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.84 2jjx n SER 241 Cb 0.53 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 2jjx n SER 241 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2jjx n LEU 242 N 1.93 0.00 -3.46 -3.43 7.94 -0.74 -4.95 117.00 114.28 2jjx n LEU 242 Ca 0.18 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 55.11 2jjx n LEU 242 Cb 0.18 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.08 2jjx n LEU 242 CO 0.61 0.00 1.00 -0.22 -1.11 0.00 0.00 177.39 177.67 2jjx s LEU 243 N 0.00 -0.02 1.00 -1.96 2.96 -1.26 -4.13 118.68 115.27 2jjx s LEU 243 Ca 0.00 0.03 -0.17 0.00 -0.22 0.00 0.00 54.13 53.77 2jjx s LEU 243 Cb 0.00 1.03 -0.03 0.00 0.50 0.00 0.00 46.19 47.69 2jjx s LEU 243 CO 0.00 -0.00 -0.21 0.52 -1.32 0.00 0.00 176.35 175.34 2jjx n VAL 244 N 3.59 0.00 -0.63 1.68 0.31 0.26 -4.65 118.33 118.90 2jjx n VAL 244 Ca -0.13 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 2jjx n VAL 244 Cb 0.56 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.11 2jjx n VAL 244 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51