#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 3.38 0.39 -0.14 0.04 -1.26 -4.09 135.00 133.33 2jjx s PRO 3 Ca 0.00 -0.17 -0.18 0.00 0.04 0.00 0.00 61.00 60.69 2jjx s PRO 3 Cb 0.00 -3.98 -0.10 0.00 0.04 0.00 0.00 34.50 30.46 2jjx s PRO 3 CO 0.00 -1.23 0.86 0.71 0.04 0.00 0.00 177.00 177.39 2jjx s TYR 4 N 3.46 3.35 -0.06 0.56 2.02 -1.24 -4.98 117.35 120.46 2jjx s TYR 4 Ca 0.30 1.43 0.10 0.00 -0.37 0.00 0.00 57.07 58.53 2jjx s TYR 4 Cb -0.12 -2.71 -0.15 0.00 -0.40 0.00 0.00 41.96 38.57 2jjx s TYR 4 CO 0.22 -0.05 0.14 0.36 -1.57 0.00 0.00 175.55 174.65 2jjx n LYS 5 N -0.61 1.30 -4.39 -0.62 2.85 -1.26 -4.85 118.16 110.59 2jjx n LYS 5 Ca 0.05 -0.05 -0.22 0.00 -1.05 0.00 0.00 58.31 57.04 2jjx n LYS 5 Cb 0.54 -1.26 -0.16 0.00 -0.65 0.00 0.00 35.03 33.49 2jjx n LYS 5 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2jjx s ARG 6 N -2.51 1.17 0.04 -1.58 1.81 -1.26 -0.04 118.95 116.58 2jjx s ARG 6 Ca -0.05 -0.27 -0.02 0.00 -1.72 0.00 0.00 55.73 53.67 2jjx s ARG 6 Cb 0.05 -1.05 -0.03 0.00 -0.45 0.00 0.00 34.95 33.47 2jjx s ARG 6 CO 0.44 0.02 0.02 0.54 -0.68 0.00 0.00 175.30 175.63 2jjx s VAL 7 N 0.60 0.17 -0.15 3.52 0.11 0.89 0.00 120.40 125.54 2jjx s VAL 7 Ca -0.10 -1.40 -0.00 0.00 -2.93 0.00 0.00 61.98 57.55 2jjx s VAL 7 Cb -0.13 -1.09 0.03 0.00 -1.53 0.00 0.00 36.38 33.66 2jjx s VAL 7 CO 0.02 -0.77 -0.09 -0.22 -3.33 0.00 0.00 175.10 170.71 2jjx s LEU 8 N -2.41 1.61 -0.21 2.54 1.98 -1.03 -1.60 118.68 119.56 2jjx s LEU 8 Ca -0.01 -0.55 -0.11 0.00 -2.89 0.00 0.00 54.13 50.57 2jjx s LEU 8 Cb 0.02 -1.00 -0.05 0.00 0.66 0.00 0.00 46.19 45.81 2jjx s LEU 8 CO -0.07 -0.13 0.18 -0.63 -1.89 0.00 0.00 176.35 173.82 2jjx s ILE 9 N 1.58 5.36 -0.22 6.68 1.01 0.38 -0.82 121.20 135.18 2jjx s ILE 9 Ca 0.03 0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.91 2jjx s ILE 9 Cb -0.14 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 2jjx s ILE 9 CO -0.09 0.39 -0.01 -0.75 0.00 0.00 0.00 174.94 174.48 2jjx s LYS 10 N 0.66 3.48 -0.12 2.79 2.47 0.10 -1.43 119.74 127.68 2jjx s LYS 10 Ca 0.10 -0.57 -0.00 0.00 -1.56 0.00 0.00 55.97 53.94 2jjx s LYS 10 Cb -0.12 -3.10 -0.02 0.00 -1.46 0.00 0.00 37.83 33.13 2jjx s LYS 10 CO 0.02 -0.17 -0.12 -0.51 0.16 0.00 0.00 175.35 174.73 2jjx s LEU 11 N 1.45 2.77 0.36 5.43 2.01 0.28 -2.16 118.68 128.82 2jjx s LEU 11 Ca 0.05 -0.30 -0.25 0.00 0.01 0.00 0.00 54.13 53.65 2jjx s LEU 11 Cb -0.14 -1.62 -0.10 0.00 0.01 0.00 0.00 46.19 44.34 2jjx s LEU 11 CO -0.01 0.18 0.99 -0.55 1.01 0.00 0.00 176.35 177.97 2jjx s SER 12 N 0.24 7.10 0.53 2.29 0.15 -1.26 -0.31 113.70 122.43 2jjx s SER 12 Ca -0.08 1.90 0.22 0.00 0.70 0.00 0.00 55.95 58.68 2jjx s SER 12 Cb -0.15 -2.58 1.41 0.00 -1.71 0.00 0.00 66.02 62.99 2jjx s SER 12 CO 0.05 -0.24 2.14 1.23 1.20 0.00 0.00 173.24 177.61 2jjx h GLY 13 N 2.83 0.00 1.92 9.45 0.00 -1.88 -2.18 103.07 113.21 2jjx h GLY 13 Ca -0.47 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.87 2jjx h GLY 13 CO 0.64 0.00 0.03 -1.33 0.00 0.00 0.00 176.54 175.88 2jjx h GLY 14 N 0.25 0.00 2.00 4.60 0.00 -1.85 -2.35 103.07 105.72 2jjx h GLY 14 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2jjx h GLY 14 CO 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.50 2jjx h ALA 15 N 1.98 1.09 0.00 3.60 0.00 -1.77 -2.69 119.26 121.46 2jjx h ALA 15 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jjx h ALA 15 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jjx h ALA 15 CO -0.00 0.06 -0.40 1.28 0.00 0.00 0.00 179.25 180.20 2jjx n LEU 16 N -3.27 0.69 -4.45 0.00 4.32 -0.88 -4.75 117.00 108.65 2jjx n LEU 16 Ca -0.01 0.33 -0.26 0.00 -0.02 0.00 0.00 56.01 56.05 2jjx n LEU 16 Cb 0.23 -0.24 -0.11 0.00 -1.62 0.00 0.00 43.42 41.68 2jjx n LEU 16 CO 0.27 -0.08 -0.51 0.00 -1.22 0.00 0.00 177.39 175.85 2jjx s ALA 17 N -3.13 2.62 1.00 -1.18 0.00 -1.02 -1.48 121.76 118.58 2jjx s ALA 17 Ca 0.08 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.36 2jjx s ALA 17 Cb 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.91 2jjx s ALA 17 CO 0.67 0.40 0.00 -0.40 0.00 0.00 0.00 175.76 176.43 2jjx n ASP 18 N 0.04 -0.40 -0.08 0.00 5.68 -1.26 -4.93 116.55 115.59 2jjx n ASP 18 Ca -0.11 -0.16 -0.10 0.00 -0.50 0.00 0.00 54.79 53.92 2jjx n ASP 18 Cb 0.57 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.45 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 -0.57 0.95 0.00 0.11 0.00 -1.26 -4.80 117.38 111.81 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 -1.37 0.00 0.00 0.00 0.00 0.00 30.24 28.87 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 -2.83 0.00 0.00 -0.39 -1.04 -1.26 -4.47 114.28 104.29 2jjx n THR 20 Ca -0.29 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 2jjx n THR 20 Cb 0.90 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 69.27 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 0.35 0.00 3.41 0.00 -1.26 -5.10 105.19 102.59 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 0.70 0.00 0.00 0.00 173.32 174.02 2jjx n ASN 22 N -0.35 0.00 0.00 1.61 3.02 -1.26 -5.09 115.26 113.19 2jjx n ASN 22 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2jjx n ASN 22 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2jjx n ASN 22 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2jjx n SER 23 N 0.00 0.00 -4.53 6.41 3.41 -1.21 -4.99 113.62 112.71 2jjx n SER 23 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 2jjx n SER 23 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 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 2.31 -0.30 7.33 0.40 -1.26 -3.75 117.98 122.72 2jjx s PHE 24 Ca 0.00 -0.62 0.03 0.00 -0.60 0.00 0.00 56.93 55.74 2jjx s PHE 24 Cb 0.00 -1.43 0.17 0.00 0.51 0.00 0.00 43.02 42.27 2jjx s PHE 24 CO 0.00 0.44 0.47 1.21 0.70 0.00 0.00 175.22 178.04 2jjx s ASN 25 N -3.59 -0.21 0.61 1.36 3.84 -0.55 -4.69 114.94 111.71 2jjx s ASN 25 Ca 0.33 -0.30 0.22 0.00 0.21 0.00 0.00 52.86 53.32 2jjx s ASN 25 Cb 0.05 1.37 1.20 0.00 -0.55 0.00 0.00 41.25 43.33 2jjx s ASN 25 CO 0.16 -0.33 1.66 0.77 -2.79 0.00 0.00 177.10 176.57 2jjx h SER 26 N 8.02 0.00 0.02 -4.21 4.64 -1.98 0.65 113.55 120.69 2jjx h SER 26 Ca -0.05 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.04 2jjx h SER 26 Cb 1.14 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.25 2jjx h SER 26 CO 0.22 0.00 -0.91 0.11 -0.87 0.00 0.00 176.83 175.38 2jjx h LYS 27 N 0.00 0.58 -0.47 4.77 1.79 -1.96 -2.06 116.57 119.21 2jjx h LYS 27 Ca 0.00 -0.65 -0.13 0.00 -2.18 0.00 0.00 60.65 57.68 2jjx h LYS 27 Cb 0.90 0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.73 2jjx h LYS 27 CO 0.00 1.26 -0.23 0.00 -1.08 0.00 0.00 179.45 179.40 2jjx h ARG 28 N 0.17 0.99 -0.14 3.15 3.08 -0.07 -1.97 114.38 119.59 2jjx h ARG 28 Ca -0.12 -0.43 -0.09 0.00 0.07 0.00 0.00 59.98 59.41 2jjx h ARG 28 Cb 1.60 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.61 2jjx h ARG 28 CO 0.18 1.11 -0.30 -0.07 -1.07 0.00 0.00 179.97 179.81 2jjx h LEU 29 N 0.84 0.28 -0.31 3.04 4.07 -1.17 -0.50 115.31 121.56 2jjx h LEU 29 Ca 0.11 -0.09 -0.09 0.00 0.08 0.00 0.00 57.88 57.88 2jjx h LEU 29 Cb 0.81 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 2jjx h LEU 29 CO 0.07 0.58 -0.15 -0.08 -1.08 0.00 0.00 178.44 177.78 2jjx h GLU 30 N 0.24 0.65 0.10 1.13 4.81 -1.23 -1.20 114.58 119.09 2jjx h GLU 30 Ca 0.03 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 58.99 2jjx h GLU 30 Cb 0.66 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 2jjx h GLU 30 CO 0.05 0.87 -0.16 1.25 -0.73 0.00 0.00 179.01 180.29 2jjx h HIS 31 N 0.41 -0.42 -0.11 0.92 2.76 -1.06 -0.59 115.15 117.06 2jjx h HIS 31 Ca 0.07 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.29 2jjx h HIS 31 Cb 0.68 0.17 -0.05 0.00 1.55 0.00 0.00 27.41 29.76 2jjx h HIS 31 CO 0.06 -0.24 -0.21 0.82 -1.30 0.00 0.00 177.93 177.06 2jjx h ILE 32 N -0.32 0.49 -0.60 6.26 2.04 -1.05 -1.33 117.51 123.01 2jjx h ILE 32 Ca 0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.96 2jjx h ILE 32 Cb 0.34 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 2jjx h ILE 32 CO -0.09 0.00 0.27 0.00 0.00 0.00 0.00 178.15 178.34 2jjx h ALA 33 N 0.71 0.79 -0.60 1.87 0.00 -1.06 -1.18 119.26 119.79 2jjx h ALA 33 Ca 0.09 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2jjx h ALA 33 Cb 0.41 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2jjx h ALA 33 CO -0.27 -0.11 0.20 -0.91 0.00 0.00 0.00 179.25 178.17 2jjx h ASN 34 N 0.50 0.86 -0.78 0.00 2.35 -0.55 0.55 115.58 118.51 2jjx h ASN 34 Ca 0.29 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 2jjx h ASN 34 Cb 0.28 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 2jjx h ASN 34 CO -0.24 0.82 0.32 -0.33 -1.65 0.00 0.00 177.43 176.35 2jjx h GLU 35 N 0.84 1.17 -0.33 0.81 4.39 -0.90 -1.33 114.58 119.23 2jjx h GLU 35 Ca 0.19 -0.21 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 2jjx h GLU 35 Cb 0.26 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2jjx h GLU 35 CO -0.01 0.95 -0.09 0.82 -1.16 0.00 0.00 179.01 179.52 2jjx h ILE 36 N 1.14 1.28 0.00 3.13 2.04 -0.85 -3.09 117.51 121.16 2jjx h ILE 36 Ca 0.26 -1.15 -0.07 0.00 1.00 0.00 0.00 64.86 64.90 2jjx h ILE 36 Cb 0.21 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2jjx h ILE 36 CO -0.02 0.37 -0.34 -0.07 0.00 0.00 0.00 178.15 178.09 2jjx h LEU 37 N 0.43 0.00 -1.48 1.44 3.38 -0.64 -2.72 115.31 115.71 2jjx h LEU 37 Ca 0.08 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2jjx h LEU 37 Cb 0.59 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2jjx h LEU 37 CO 0.03 0.34 0.35 0.77 0.09 0.00 0.00 178.44 180.03 2jjx h SER 38 N 0.00 0.61 0.03 -0.43 4.64 -1.16 -0.58 113.55 116.66 2jjx h SER 38 Ca -0.00 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2jjx h SER 38 Cb 0.73 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2jjx h SER 38 CO 0.04 0.44 -0.02 0.40 -0.87 0.00 0.00 176.83 176.83 2jjx h ILE 39 N 0.72 1.28 0.00 0.95 2.04 -1.53 -3.32 117.51 117.64 2jjx h ILE 39 Ca 0.20 -1.76 -0.01 0.00 1.00 0.00 0.00 64.86 64.30 2jjx h ILE 39 Cb -0.07 2.33 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2jjx h ILE 39 CO -0.04 0.40 -0.03 1.62 0.00 0.00 0.00 178.15 180.10 2jjx h VAL 40 N -0.91 0.86 0.00 1.67 3.04 -1.31 -1.24 116.25 118.35 2jjx h VAL 40 Ca -0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 2jjx h VAL 40 Cb 0.69 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 31.02 2jjx h VAL 40 CO 0.01 0.03 0.00 0.47 -1.01 0.00 0.00 177.57 177.06 2jjx n ASP 41 N -4.28 0.63 -1.20 3.17 9.92 -0.24 -0.13 116.55 124.41 2jjx n ASP 41 Ca -0.03 0.74 0.11 0.00 -0.53 0.00 0.00 54.79 55.09 2jjx n ASP 41 Cb 0.11 -0.84 0.28 0.00 -0.64 0.00 0.00 41.12 40.02 2jjx n ASP 41 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2jjx n LEU 42 N -2.29 3.54 -0.05 0.64 4.32 -0.47 -4.92 117.00 117.76 2jjx n LEU 42 Ca -0.00 -1.67 -0.01 0.00 -0.02 0.00 0.00 56.01 54.31 2jjx n LEU 42 Cb 0.10 -0.37 -0.00 0.00 -1.62 0.00 0.00 43.42 41.53 2jjx n LEU 42 CO 0.13 0.83 -0.01 0.61 -1.22 0.00 0.00 177.39 177.74 2jjx n GLY 43 N 1.55 0.47 3.76 -0.72 0.00 0.81 -5.00 105.19 106.05 2jjx n GLY 43 Ca 0.21 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.90 3.43 -0.19 -0.61 1.01 -1.22 -4.99 121.20 116.74 2jjx s ILE 44 Ca 0.00 1.41 -0.18 0.00 0.00 0.00 0.00 60.65 61.89 2jjx s ILE 44 Cb 0.00 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2jjx s ILE 44 CO 0.00 0.32 0.47 -1.61 0.00 0.00 0.00 174.94 174.12 2jjx s GLU 45 N -1.56 4.21 0.02 2.79 2.02 0.94 -4.32 118.70 122.80 2jjx s GLU 45 Ca 0.46 0.35 0.06 0.00 0.02 0.00 0.00 54.97 55.85 2jjx s GLU 45 Cb -0.32 -3.53 -0.03 0.00 0.10 0.00 0.00 34.13 30.35 2jjx s GLU 45 CO 0.41 -0.06 -0.14 0.08 0.02 0.00 0.00 175.26 175.57 2jjx s VAL 46 N 1.37 3.09 -0.02 2.63 1.01 -1.26 -0.07 120.40 127.14 2jjx s VAL 46 Ca 0.23 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.23 2jjx s VAL 46 Cb -0.15 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 2jjx s VAL 46 CO 0.09 0.37 -0.15 -0.44 0.00 0.00 0.00 175.10 174.97 2jjx s SER 47 N -1.40 1.83 -0.08 3.32 0.01 -0.63 -2.71 113.70 114.05 2jjx s SER 47 Ca 0.15 -0.29 0.05 0.00 1.31 0.00 0.00 55.95 57.18 2jjx s SER 47 Cb -0.11 -0.26 -0.00 0.00 0.21 0.00 0.00 66.02 65.86 2jjx s SER 47 CO 0.06 0.18 -0.23 -0.63 0.41 0.00 0.00 173.24 173.02 2jjx s ILE 48 N -0.28 1.96 -0.20 1.44 1.01 -0.15 -0.47 121.20 124.52 2jjx s ILE 48 Ca 0.04 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.71 2jjx s ILE 48 Cb -0.07 -1.68 0.02 0.00 0.01 0.00 0.00 42.46 40.74 2jjx s ILE 48 CO -0.00 0.54 -0.17 -0.69 0.00 0.00 0.00 174.94 174.62 2jjx s VAL 49 N 0.14 2.25 0.08 2.92 1.01 -0.51 -0.89 120.40 125.39 2jjx s VAL 49 Ca -0.12 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 60.93 2jjx s VAL 49 Cb -0.16 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 2jjx s VAL 49 CO 0.06 0.45 0.05 -0.63 0.00 0.00 0.00 175.10 175.03 2jjx s ILE 50 N 1.29 4.35 0.57 2.22 1.01 -1.26 -0.56 121.20 128.83 2jjx s ILE 50 Ca 0.03 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 2jjx s ILE 50 Cb -0.14 -3.09 0.02 0.00 0.01 0.00 0.00 42.46 39.27 2jjx s ILE 50 CO -0.11 0.13 0.83 -0.83 0.00 0.00 0.00 174.94 174.96 2jjx s GLY 51 N -2.35 1.68 -0.20 6.18 0.00 0.57 -4.77 107.32 108.44 2jjx s GLY 51 Ca 0.28 -1.03 0.16 0.00 0.00 0.00 0.00 44.72 44.13 2jjx s GLY 51 CO 0.21 -0.75 1.51 0.61 0.00 0.00 0.00 173.10 174.68 2jjx n GLY 52 N -2.45 3.82 0.32 0.20 0.00 -1.26 -3.12 105.19 102.68 2jjx n GLY 52 Ca 0.06 -1.02 0.15 0.00 0.00 0.00 0.00 46.02 45.20 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 2.31 0.00 1.62 -0.02 0.00 -1.84 -2.06 103.07 103.08 2jjx h GLY 53 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 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 -4.03 115.26 112.89 2jjx n ASN 54 Ca 0.01 -0.04 -0.08 0.00 -0.02 0.00 0.00 54.58 54.45 2jjx n ASN 54 Cb 0.28 -0.31 -0.03 0.00 -2.36 0.00 0.00 39.78 37.36 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 -1.31 0.43 -4.21 1.53 5.41 -0.84 -3.30 119.36 117.07 2jjx n ILE 55 Ca 0.12 -0.12 -0.18 0.00 1.00 0.00 0.00 62.75 63.58 2jjx n ILE 55 Cb 0.23 -1.43 -0.15 0.00 -0.71 0.00 0.00 39.64 37.58 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 -2.14 0.62 0.04 1.39 5.36 -0.83 -5.07 117.98 117.34 2jjx s PHE 56 Ca -0.11 -0.13 0.04 0.00 -0.96 0.00 0.00 56.93 55.77 2jjx s PHE 56 Cb 0.04 -0.45 -0.02 0.00 -0.34 0.00 0.00 43.02 42.25 2jjx s PHE 56 CO 0.14 -0.06 -0.12 1.03 -1.46 0.00 0.00 175.22 174.76 2jjx s ARG 57 N 0.16 0.79 0.59 10.12 1.81 -1.26 -4.30 118.95 126.85 2jjx s ARG 57 Ca -0.02 -0.70 0.39 0.00 -1.72 0.00 0.00 55.73 53.68 2jjx s ARG 57 Cb -0.06 -0.75 2.09 0.00 -0.45 0.00 0.00 34.95 35.78 2jjx s ARG 57 CO -0.00 0.18 2.20 0.78 -0.68 0.00 0.00 175.30 177.77 2jjx h GLY 58 N 4.93 0.00 0.26 -3.53 0.00 -1.99 -2.19 103.07 100.55 2jjx h GLY 58 Ca -0.37 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.19 2jjx h GLY 58 CO 0.44 0.00 0.61 0.45 0.00 0.00 0.00 176.54 178.04 2jjx h HIS 59 N 0.00 0.35 0.00 5.60 3.86 -2.00 -0.83 115.15 122.13 2jjx h HIS 59 Ca 0.00 0.01 -0.28 0.00 -1.16 0.00 0.00 60.37 58.94 2jjx h HIS 59 Cb 0.05 -0.11 -0.05 0.00 1.06 0.00 0.00 27.41 28.37 2jjx h HIS 59 CO 0.00 0.08 -1.75 -0.11 0.86 0.00 0.00 177.93 177.01 2jjx n LEU 60 N -4.43 0.78 -0.17 2.43 -0.00 -0.82 -3.25 117.00 111.53 2jjx n LEU 60 Ca 0.19 0.37 -0.09 0.00 -0.00 0.00 0.00 56.01 56.48 2jjx n LEU 60 Cb 0.80 0.19 0.00 0.00 -0.00 0.00 0.00 43.42 44.41 2jjx n LEU 60 CO 0.33 0.37 0.86 0.00 -0.00 0.00 0.00 177.39 178.95 2jjx h ALA 61 N 1.05 0.63 -0.10 1.96 0.00 -1.31 -2.37 119.26 119.13 2jjx h ALA 61 Ca -0.30 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2jjx h ALA 61 Cb 1.99 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 2jjx h ALA 61 CO 0.07 0.36 0.06 1.49 0.00 0.00 0.00 179.25 181.23 2jjx h GLU 62 N 0.66 0.13 -0.99 0.00 4.81 -1.36 0.31 114.58 118.14 2jjx h GLU 62 Ca 0.15 -0.01 0.22 0.00 -0.13 0.00 0.00 59.36 59.59 2jjx h GLU 62 Cb 0.39 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.64 2jjx h GLU 62 CO 0.01 0.09 0.62 0.93 -0.73 0.00 0.00 179.01 179.93 2jjx h GLU 63 N 0.13 0.55 -0.22 1.92 5.08 -1.43 -0.56 114.58 120.04 2jjx h GLU 63 Ca 0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jjx h GLU 63 Cb -0.01 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.11 2jjx h GLU 63 CO -0.01 0.36 0.00 0.91 -1.00 0.00 0.00 179.01 179.27 2jjx n TRP 64 N -4.68 0.72 -4.06 4.33 7.02 -0.93 -4.99 117.44 114.85 2jjx n TRP 64 Ca 0.23 -0.84 -0.28 0.00 -1.02 0.00 0.00 57.50 55.59 2jjx n TRP 64 Cb 0.71 -0.25 -0.04 0.00 -2.42 0.00 0.00 31.31 29.31 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 -0.53 -0.23 3.71 6.99 0.00 0.33 -4.91 105.19 110.54 2jjx n GLY 65 Ca 0.19 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.95 4.77 0.11 -0.61 1.01 0.81 -4.97 121.20 118.38 2jjx s ILE 66 Ca 0.10 1.99 -0.36 0.00 0.00 0.00 0.00 60.65 62.39 2jjx s ILE 66 Cb -0.06 -4.28 -0.16 0.00 0.01 0.00 0.00 42.46 37.97 2jjx s ILE 66 CO 0.92 0.14 1.28 -0.67 0.00 0.00 0.00 174.94 176.60 2jjx n ASP 67 N 4.04 1.51 -0.32 3.58 -0.08 -1.26 -4.61 116.55 119.41 2jjx n ASP 67 Ca 0.07 1.13 0.19 0.00 -1.51 0.00 0.00 54.79 54.66 2jjx n ASP 67 Cb 0.50 -1.19 0.39 0.00 2.34 0.00 0.00 41.12 43.16 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 4.18 0.26 -0.21 -0.67 9.65 -1.97 0.88 114.38 126.50 2jjx h ARG 68 Ca -0.46 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.33 2jjx h ARG 68 Cb 1.34 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.85 2jjx h ARG 68 CO 0.75 0.17 -0.17 0.28 2.80 0.00 0.00 179.97 183.81 2jjx h VAL 69 N 0.27 1.22 -0.16 0.20 2.07 -2.00 -1.34 116.25 116.52 2jjx h VAL 69 Ca 0.66 -1.00 -0.22 0.00 0.82 0.00 0.00 66.70 66.96 2jjx h VAL 69 Cb 1.43 1.25 0.01 0.00 -1.52 0.00 0.00 31.29 32.45 2jjx h VAL 69 CO -0.64 0.32 -0.76 -0.33 0.02 0.00 0.00 177.57 176.18 2jjx h GLU 70 N 0.33 0.76 0.00 1.57 5.08 0.34 -2.77 114.58 119.89 2jjx h GLU 70 Ca 0.06 -0.61 -0.09 0.00 -1.00 0.00 0.00 59.36 57.72 2jjx h GLU 70 Cb 0.49 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2jjx h GLU 70 CO 0.03 1.22 -0.43 0.00 -1.00 0.00 0.00 179.01 178.83 2jjx h ALA 71 N 0.61 1.26 -0.23 3.43 0.00 -0.64 -2.78 119.26 120.91 2jjx h ALA 71 Ca -0.05 -0.39 -0.20 0.00 0.00 0.00 0.00 54.91 54.27 2jjx h ALA 71 Cb 1.38 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.11 2jjx h ALA 71 CO 0.15 0.54 -0.66 -0.44 0.00 0.00 0.00 179.25 178.84 2jjx h ASP 72 N 0.00 0.97 -0.89 0.00 3.32 -1.22 -2.20 116.42 116.40 2jjx h ASP 72 Ca -0.00 -0.57 0.02 0.00 0.02 0.00 0.00 57.03 56.49 2jjx h ASP 72 Cb 0.77 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.00 2jjx h ASP 72 CO 0.06 1.37 0.58 0.78 -1.72 0.00 0.00 179.24 180.31 2jjx h ASN 73 N 0.62 0.99 0.58 6.45 4.21 -1.35 0.58 115.58 127.65 2jjx h ASN 73 Ca -0.02 -0.02 -0.03 0.00 1.21 0.00 0.00 56.30 57.45 2jjx h ASN 73 Cb 1.28 -0.24 0.01 0.00 -1.12 0.00 0.00 38.32 38.25 2jjx h ASN 73 CO 0.14 0.70 -0.28 0.40 -1.29 0.00 0.00 177.43 177.10 2jjx h ILE 74 N 1.16 0.42 -0.23 2.81 2.04 -1.41 -2.31 117.51 119.99 2jjx h ILE 74 Ca 0.34 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 66.20 2jjx h ILE 74 Cb -0.07 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 2jjx h ILE 74 CO -0.09 0.01 0.24 1.23 0.00 0.00 0.00 178.15 179.53 2jjx h GLY 75 N -0.81 0.00 1.35 5.37 0.00 -0.90 0.54 103.07 108.62 2jjx h GLY 75 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.11 2jjx h GLY 75 CO 0.13 0.00 -0.41 -0.84 0.00 0.00 0.00 176.54 175.42 2jjx h THR 76 N 0.00 1.29 -0.03 4.70 2.02 -0.35 -2.76 112.91 117.79 2jjx h THR 76 Ca 0.11 -1.58 -0.09 0.00 0.77 0.00 0.00 66.41 65.61 2jjx h THR 76 Cb 0.58 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 2jjx h THR 76 CO -0.00 0.51 -0.42 -0.07 0.37 0.00 0.00 175.52 175.91 2jjx h LEU 77 N 0.58 0.06 -0.96 2.58 4.07 -0.56 -2.25 115.31 118.83 2jjx h LEU 77 Ca 0.05 -0.02 0.03 0.00 0.08 0.00 0.00 57.88 58.01 2jjx h LEU 77 Cb 0.95 -0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.61 2jjx h LEU 77 CO 0.09 0.48 0.63 1.23 -1.08 0.00 0.00 178.44 179.78 2jjx h GLY 78 N 1.26 1.40 1.81 0.83 0.00 -1.25 -1.83 103.07 105.28 2jjx h GLY 78 Ca 0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 2jjx h GLY 78 CO 0.06 0.42 -0.20 -0.91 0.00 0.00 0.00 176.54 175.90 2jjx h THR 79 N 1.23 1.21 0.00 4.70 1.35 -1.32 -1.26 112.91 118.82 2jjx h THR 79 Ca 0.38 -0.98 -0.12 0.00 -0.55 0.00 0.00 66.41 65.14 2jjx h THR 79 Cb -0.02 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 67.72 2jjx h THR 79 CO -0.12 0.30 -0.57 0.40 -0.25 0.00 0.00 175.52 175.28 2jjx h ILE 80 N 0.22 1.12 -0.09 6.82 2.04 -1.24 -1.25 117.51 125.12 2jjx h ILE 80 Ca 0.04 -2.20 -0.24 0.00 1.00 0.00 0.00 64.86 63.46 2jjx h ILE 80 Cb 0.49 2.30 0.01 0.00 -0.74 0.00 0.00 36.82 38.88 2jjx h ILE 80 CO 0.03 0.56 -0.87 0.40 0.00 0.00 0.00 178.15 178.27 2jjx h ILE 81 N 0.00 1.29 -0.23 -0.67 2.04 -0.74 -2.43 117.51 116.78 2jjx h ILE 81 Ca -0.01 -2.10 -0.11 0.00 1.00 0.00 0.00 64.86 63.64 2jjx h ILE 81 Cb 1.25 2.14 -0.00 0.00 -0.74 0.00 0.00 36.82 39.47 2jjx h ILE 81 CO 0.07 0.66 -0.30 0.78 0.00 0.00 0.00 178.15 179.36 2jjx h ASN 82 N 0.46 0.65 -0.44 1.72 2.35 -1.22 -1.19 115.58 117.91 2jjx h ASN 82 Ca -0.08 -0.50 0.07 0.00 -0.55 0.00 0.00 56.30 55.24 2jjx h ASN 82 Cb 1.50 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 39.63 2jjx h ASN 82 CO 0.17 1.03 0.09 0.28 -1.65 0.00 0.00 177.43 177.35 2jjx h SER 83 N 0.29 0.02 -0.37 5.81 0.02 -1.27 -0.11 113.55 117.93 2jjx h SER 83 Ca 0.03 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2jjx h SER 83 Cb 0.87 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 2jjx h SER 83 CO 0.07 0.04 0.14 -0.07 -1.14 0.00 0.00 176.83 175.87 2jjx h LEU 84 N 0.23 0.52 0.00 5.07 4.07 -1.34 -1.66 115.31 122.20 2jjx h LEU 84 Ca 0.21 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2jjx h LEU 84 Cb 0.26 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.87 2jjx h LEU 84 CO -0.28 0.56 0.00 0.23 -1.08 0.00 0.00 178.44 177.88 2jjx n MET 85 N -4.66 0.00 -0.24 1.13 2.81 -0.46 -2.41 117.12 113.30 2jjx n MET 85 Ca -0.01 0.56 0.19 0.00 -1.81 0.00 0.00 57.70 56.64 2jjx n MET 85 Cb 0.15 -1.44 0.36 0.00 -0.71 0.00 0.00 33.22 31.58 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 -2.05 0.15 -0.26 4.03 0.00 -0.08 0.22 117.00 119.01 2jjx n LEU 86 Ca 0.00 1.22 -0.06 0.00 0.00 0.00 0.00 56.01 57.17 2jjx n LEU 86 Cb 0.00 -0.55 0.08 0.00 0.00 0.00 0.00 43.42 42.95 2jjx n LEU 86 CO 0.00 -1.33 1.01 -0.09 0.00 0.00 0.00 177.39 176.98 2jjx h ARG 87 N 0.00 1.14 0.53 1.96 2.43 -1.16 0.20 114.38 119.48 2jjx h ARG 87 Ca 0.56 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 59.48 2jjx h ARG 87 Cb 1.41 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 2jjx h ARG 87 CO -0.60 0.96 -0.37 0.78 -1.51 0.00 0.00 179.97 179.22 2jjx h GLY 88 N 1.12 -0.95 0.58 2.80 0.00 0.30 0.38 103.07 107.30 2jjx h GLY 88 Ca 0.24 0.42 0.08 0.00 0.00 0.00 0.00 47.33 48.06 2jjx h GLY 88 CO -0.01 -0.34 0.40 -2.08 0.00 0.00 0.00 176.54 174.51 2jjx h VAL 89 N -0.87 0.92 -0.27 4.60 2.07 -1.30 -2.48 116.25 118.93 2jjx h VAL 89 Ca -0.06 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2jjx h VAL 89 Cb 0.73 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2jjx h VAL 89 CO 0.03 0.13 0.10 -0.07 0.02 0.00 0.00 177.57 177.77 2jjx h LEU 90 N 0.70 0.38 -1.54 2.57 4.07 -0.28 -3.08 115.31 118.13 2jjx h LEU 90 Ca 0.34 -0.19 0.02 0.00 0.08 0.00 0.00 57.88 58.13 2jjx h LEU 90 Cb 0.28 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 2jjx h LEU 90 CO -0.22 0.47 0.33 0.74 -1.08 0.00 0.00 178.44 178.68 2jjx h THR 91 N 0.28 1.09 0.00 0.22 2.02 -0.61 -1.22 112.91 114.69 2jjx h THR 91 Ca 0.09 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 2jjx h THR 91 Cb 0.21 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2jjx h THR 91 CO -0.00 0.11 -0.18 0.77 0.37 0.00 0.00 175.52 176.58 2jjx h SER 92 N 0.61 0.00 0.00 4.18 4.64 -1.36 -3.19 113.55 118.43 2jjx h SER 92 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2jjx h SER 92 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2jjx h SER 92 CO -0.05 0.18 -0.79 0.29 -0.87 0.00 0.00 176.83 175.60 2jjx n LYS 93 N -4.12 2.04 -4.54 4.77 5.02 -0.56 -4.99 118.16 115.78 2jjx n LYS 93 Ca -0.02 -0.01 -0.25 0.00 -2.02 0.00 0.00 58.31 56.00 2jjx n LYS 93 Cb 0.26 -1.20 -0.10 0.00 -0.02 0.00 0.00 35.03 33.97 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 -2.43 1.29 0.00 -0.18 2.01 -0.64 -5.01 115.64 110.68 2jjx s THR 94 Ca 0.04 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.04 2jjx s THR 94 Cb 0.11 -2.70 0.00 0.00 0.01 0.00 0.00 72.50 69.92 2jjx s THR 94 CO 0.60 0.00 0.44 -0.46 -0.69 0.00 0.00 174.62 174.51 2jjx n ASN 95 N -0.92 0.86 -4.77 3.53 0.23 -1.26 -4.75 115.26 108.18 2jjx n ASN 95 Ca -0.05 -1.08 -0.31 0.00 -0.53 0.00 0.00 54.58 52.60 2jjx n ASN 95 Cb 0.66 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.45 2jjx n ASN 95 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2jjx s LYS 96 N -0.08 2.40 -0.05 -3.83 -0.14 -1.26 -4.99 119.74 111.79 2jjx s LYS 96 Ca 0.00 1.20 -0.23 0.00 -1.36 0.00 0.00 55.97 55.58 2jjx s LYS 96 Cb 0.00 -1.91 -0.04 0.00 -1.68 0.00 0.00 37.83 34.20 2jjx s LYS 96 CO 0.00 -1.53 0.70 -1.21 -0.76 0.00 0.00 175.35 172.54 2jjx s GLU 97 N -4.75 4.43 -0.15 1.68 0.41 -1.26 -4.93 118.70 114.14 2jjx s GLU 97 Ca 0.62 0.88 0.02 0.00 -0.41 0.00 0.00 54.97 56.09 2jjx s GLU 97 Cb -0.18 -3.43 0.01 0.00 -1.78 0.00 0.00 34.13 28.76 2jjx s GLU 97 CO 0.53 0.11 -0.21 0.14 -0.49 0.00 0.00 175.26 175.34 2jjx s VAL 98 N 0.64 2.02 -0.11 2.63 -7.23 -1.26 0.03 120.40 117.11 2jjx s VAL 98 Ca 0.37 -0.94 -0.01 0.00 -1.81 0.00 0.00 61.98 59.59 2jjx s VAL 98 Cb -0.18 -1.79 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 2jjx s VAL 98 CO 0.18 0.54 -0.08 -0.13 -0.31 0.00 0.00 175.10 175.30 2jjx s ARG 99 N 0.93 3.20 -0.25 4.82 1.81 0.29 -4.93 118.95 124.82 2jjx s ARG 99 Ca -0.05 -0.58 -0.12 0.00 -1.72 0.00 0.00 55.73 53.26 2jjx s ARG 99 Cb -0.15 -2.69 -0.05 0.00 -0.45 0.00 0.00 34.95 31.61 2jjx s ARG 99 CO -0.04 0.41 0.23 0.08 -0.68 0.00 0.00 175.30 175.29 2jjx s VAL 100 N -0.13 5.30 -0.08 3.52 1.01 -1.26 0.93 120.40 129.70 2jjx s VAL 100 Ca 0.01 0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.33 2jjx s VAL 100 Cb -0.13 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2jjx s VAL 100 CO 0.03 0.29 -0.21 -0.04 0.00 0.00 0.00 175.10 175.17 2jjx s MET 101 N 1.36 2.57 0.05 2.72 -1.94 0.89 -2.19 119.30 122.75 2jjx s MET 101 Ca 0.10 -0.75 0.04 0.00 -1.71 0.00 0.00 55.69 53.37 2jjx s MET 101 Cb -0.14 -2.01 -0.04 0.00 2.01 0.00 0.00 34.83 34.64 2jjx s MET 101 CO 0.07 0.18 -0.05 0.95 -0.01 0.00 0.00 175.02 176.16 2jjx s THR 102 N 0.32 3.75 -1.14 2.05 -4.23 -0.64 -1.48 115.64 114.27 2jjx s THR 102 Ca -0.15 -0.91 0.27 0.00 -1.18 0.00 0.00 61.69 59.73 2jjx s THR 102 Cb -0.16 -2.71 0.19 0.00 1.34 0.00 0.00 72.50 71.16 2jjx s THR 102 CO 0.07 0.26 1.70 -1.54 -0.54 0.00 0.00 174.62 174.56 2jjx n SER 103 N 1.10 0.32 -3.88 3.99 3.41 -0.99 0.20 113.62 117.77 2jjx n SER 103 Ca -0.14 -0.05 -0.30 0.00 -0.26 0.00 0.00 58.87 58.13 2jjx n SER 103 Cb 0.52 -0.09 -0.14 0.00 -0.26 0.00 0.00 64.21 64.24 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 -2.89 2.25 -0.34 -1.33 1.01 -1.26 -4.86 121.20 113.78 2jjx s ILE 104 Ca 0.16 -3.15 -0.39 0.00 0.00 0.00 0.00 60.65 57.27 2jjx s ILE 104 Cb 0.19 -2.56 -0.14 0.00 0.01 0.00 0.00 42.46 39.95 2jjx s ILE 104 CO 0.59 -0.84 2.01 -0.81 0.00 0.00 0.00 174.94 175.89 2jjx n PRO 105 N 3.17 0.95 -0.04 2.79 -0.04 -1.26 -4.78 135.00 135.80 2jjx n PRO 105 Ca 0.07 0.30 0.02 0.00 -0.04 0.00 0.00 63.50 63.86 2jjx n PRO 105 Cb 0.33 -2.18 -0.13 0.00 -0.04 0.00 0.00 33.50 31.48 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 7.71 0.00 -1.22 0.54 3.72 -1.26 -4.99 117.46 121.96 2jjx n PHE 106 Ca 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.77 2jjx n PHE 106 Cb 0.15 -0.54 0.00 0.00 -0.94 0.00 0.00 39.48 38.14 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 -2.29 -3.00 -1.58 4.37 3.02 -0.99 -4.41 115.26 110.39 2jjx n ASN 107 Ca -0.12 0.58 -0.14 0.00 -0.03 0.00 0.00 54.58 54.87 2jjx n ASN 107 Cb 0.67 -2.78 -0.05 0.00 -0.61 0.00 0.00 39.78 37.01 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 -1.78 -0.30 0.00 5.41 0.00 -1.26 -4.35 120.51 118.23 2jjx n ALA 108 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2jjx n ALA 108 Cb 0.11 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 -2.20 0.00 -3.83 0.00 3.14 -1.26 -5.12 118.33 109.06 2jjx n VAL 109 Ca -0.15 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.14 2jjx n VAL 109 Cb 0.50 -0.32 -0.04 0.00 -1.06 0.00 0.00 33.84 32.91 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 -1.73 -0.67 0.09 1.55 0.00 -1.26 -5.04 121.76 114.70 2jjx s ALA 110 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 51.96 51.21 2jjx s ALA 110 Cb 0.00 0.89 -0.05 0.00 0.00 0.00 0.00 23.12 23.95 2jjx s ALA 110 CO 0.00 -0.80 0.92 -1.83 0.00 0.00 0.00 175.76 174.05 2jjx s GLU 111 N -3.92 4.64 0.29 0.00 -1.05 -0.93 -2.36 118.70 115.38 2jjx s GLU 111 Ca 0.13 1.36 -0.30 0.00 -0.15 0.00 0.00 54.97 56.02 2jjx s GLU 111 Cb -0.00 -3.38 -0.13 0.00 -0.44 0.00 0.00 34.13 30.18 2jjx s GLU 111 CO 0.00 0.21 1.34 -0.35 0.95 0.00 0.00 175.26 177.41 2jjx n PRO 112 N 2.88 2.05 -2.16 -4.83 -0.04 -1.26 -1.63 135.00 130.01 2jjx n PRO 112 Ca 0.02 0.73 -0.42 0.00 -0.04 0.00 0.00 63.50 63.78 2jjx n PRO 112 Cb 0.50 -2.34 -0.03 0.00 -0.04 0.00 0.00 33.50 31.59 2jjx n PRO 112 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2jjx s TYR 113 N -0.56 3.15 -0.07 0.54 5.04 0.13 -4.69 117.35 120.89 2jjx s TYR 113 Ca 0.62 0.90 -0.03 0.00 -2.44 0.00 0.00 57.07 56.13 2jjx s TYR 113 Cb -0.61 -3.69 0.04 0.00 0.35 0.00 0.00 41.96 38.04 2jjx s TYR 113 CO 0.56 -2.47 0.09 0.42 -1.34 0.00 0.00 175.55 172.80 2jjx s ILE 114 N 1.35 -0.14 0.00 3.14 1.01 -1.26 -4.96 121.20 120.34 2jjx s ILE 114 Ca 0.65 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.63 2jjx s ILE 114 Cb -0.36 -0.24 0.00 0.00 0.01 0.00 0.00 42.46 41.87 2jjx s ILE 114 CO 0.30 0.11 0.96 -1.14 0.00 0.00 0.00 174.94 175.16 2jjx n ARG 115 N 5.30 0.00 0.01 2.79 3.00 -1.26 -0.19 116.66 126.32 2jjx n ARG 115 Ca -0.04 0.87 0.20 0.00 -0.00 0.00 0.00 57.85 58.88 2jjx n ARG 115 Cb 0.50 -1.46 0.70 0.00 0.00 0.00 0.00 32.46 32.20 2jjx n ARG 115 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2jjx h LEU 116 N 0.00 0.00 -0.34 6.15 4.07 -1.98 0.62 115.31 123.83 2jjx h LEU 116 Ca 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.88 2jjx h LEU 116 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 2jjx h LEU 116 CO 0.00 0.00 -0.12 -0.09 -1.08 0.00 0.00 178.44 177.15 2jjx h ARG 117 N 0.00 0.69 -0.35 1.13 2.43 -1.65 -0.27 114.38 116.35 2jjx h ARG 117 Ca 0.25 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2jjx h ARG 117 Cb 1.01 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 2jjx h ARG 117 CO -0.00 0.87 0.11 0.00 -1.51 0.00 0.00 179.97 179.44 2jjx h ALA 118 N 0.80 0.46 -0.69 2.80 0.00 0.34 -0.58 119.26 122.39 2jjx h ALA 118 Ca 0.08 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2jjx h ALA 118 Cb 0.64 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2jjx h ALA 118 CO 0.04 0.09 0.45 0.28 0.00 0.00 0.00 179.25 180.12 2jjx h VAL 119 N 0.41 1.16 -0.05 0.00 2.07 -0.61 -2.24 116.25 117.00 2jjx h VAL 119 Ca 0.11 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.35 2jjx h VAL 119 Cb 0.25 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 2jjx h VAL 119 CO -0.00 0.17 -0.13 -0.74 0.02 0.00 0.00 177.57 176.88 2jjx h HIS 120 N 0.92 -0.34 0.44 1.57 6.17 -0.59 0.27 115.15 123.58 2jjx h HIS 120 Ca 0.26 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.34 2jjx h HIS 120 Cb -0.08 0.16 -0.03 0.00 2.52 0.00 0.00 27.41 29.98 2jjx h HIS 120 CO -0.03 -0.20 -0.50 0.45 0.71 0.00 0.00 177.93 178.36 2jjx h HIS 121 N -0.20 -1.41 -0.73 5.26 3.86 -0.92 0.40 115.15 121.42 2jjx h HIS 121 Ca 0.06 0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.45 2jjx h HIS 121 Cb 0.28 0.56 -0.12 0.00 1.06 0.00 0.00 27.41 29.19 2jjx h HIS 121 CO -0.21 -0.66 0.03 -0.07 0.86 0.00 0.00 177.93 177.88 2jjx h LEU 122 N -0.96 -0.29 -0.66 2.43 4.07 -1.31 0.48 115.31 119.08 2jjx h LEU 122 Ca -0.05 0.18 0.06 0.00 0.08 0.00 0.00 57.88 58.15 2jjx h LEU 122 Cb 0.85 0.31 -0.06 0.00 1.08 0.00 0.00 40.66 42.85 2jjx h LEU 122 CO -0.10 -0.15 0.36 0.44 -1.08 0.00 0.00 178.44 177.91 2jjx h ASP 123 N 0.13 0.52 0.00 -0.43 5.19 -0.50 0.15 116.42 121.47 2jjx h ASP 123 Ca 0.40 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 2jjx h ASP 123 Cb 0.69 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.13 2jjx h ASP 123 CO -0.62 0.34 0.00 0.59 -3.12 0.00 0.00 179.24 176.43 2jjx n ASN 124 N -4.80 0.00 0.00 6.45 3.02 0.16 -4.83 115.26 115.25 2jjx n ASN 124 Ca 0.08 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 2jjx n ASN 124 Cb 0.18 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 0.27 0.48 3.89 7.41 0.00 0.04 -5.05 105.19 112.22 2jjx n GLY 125 Ca 0.11 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 3.53 -0.25 1.61 2.02 -0.79 -4.70 117.35 116.78 2jjx s TYR 126 Ca 0.00 0.99 -0.11 0.00 -0.37 0.00 0.00 57.07 57.58 2jjx s TYR 126 Cb 0.00 -2.58 -0.05 0.00 -0.40 0.00 0.00 41.96 38.93 2jjx s TYR 126 CO 0.00 -0.58 0.21 0.42 -1.57 0.00 0.00 175.55 174.02 2jjx s ILE 127 N -2.99 5.32 -0.04 2.71 1.01 0.10 -4.37 121.20 122.93 2jjx s ILE 127 Ca 0.52 0.26 0.04 0.00 0.00 0.00 0.00 60.65 61.47 2jjx s ILE 127 Cb -0.11 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 2jjx s ILE 127 CO 0.49 0.30 -0.14 0.68 0.00 0.00 0.00 174.94 176.27 2jjx s VAL 128 N 1.31 3.05 -0.10 2.92 -7.23 -1.10 0.10 120.40 119.36 2jjx s VAL 128 Ca 0.09 -0.75 0.04 0.00 -1.81 0.00 0.00 61.98 59.55 2jjx s VAL 128 Cb -0.14 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.60 2jjx s VAL 128 CO 0.07 0.58 -0.22 -0.63 -0.31 0.00 0.00 175.10 174.58 2jjx s ILE 129 N -0.74 1.93 -0.23 -0.62 1.01 0.27 -0.98 121.20 121.83 2jjx s ILE 129 Ca 0.12 -0.94 -0.08 0.00 0.00 0.00 0.00 60.65 59.74 2jjx s ILE 129 Cb -0.11 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 2jjx s ILE 129 CO 0.01 0.53 0.10 -0.36 0.00 0.00 0.00 174.94 175.22 2jjx s PHE 130 N 0.45 3.19 0.17 3.97 0.40 -0.07 -0.08 117.98 126.01 2jjx s PHE 130 Ca -0.17 -0.09 0.10 0.00 -0.60 0.00 0.00 56.93 56.17 2jjx s PHE 130 Cb -0.17 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 2jjx s PHE 130 CO 0.07 -0.10 -0.18 0.20 0.70 0.00 0.00 175.22 175.91 2jjx s GLY 131 N 1.15 1.71 -0.04 4.36 0.00 -0.55 -4.07 107.32 109.88 2jjx s GLY 131 Ca 0.05 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.26 2jjx s GLY 131 CO 0.04 -1.52 0.00 0.61 0.00 0.00 0.00 173.10 172.23 2jjx n GLY 132 N 0.34 0.44 7.00 0.20 0.00 -1.25 -2.35 105.19 109.56 2jjx n GLY 132 Ca -0.13 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.93 1.90 0.08 -0.02 0.00 -1.26 -1.97 105.19 100.99 2jjx n GLY 133 Ca -0.00 0.52 -0.06 0.00 0.00 0.00 0.00 46.02 46.48 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 4.91 0.31 0.00 1.61 4.05 -1.26 -4.71 115.26 120.17 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 1.13 0.00 0.00 1.23 0.00 0.00 39.78 42.14 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 1.75 1.59 3.96 8.20 0.00 -0.83 -5.01 105.19 114.85 2jjx n GLY 135 Ca -0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.56 3.45 0.64 1.61 -1.52 -1.26 -5.07 119.66 116.94 2jjx s GLN 136 Ca 0.00 -0.63 -0.01 0.00 -1.95 0.00 0.00 55.36 52.77 2jjx s GLN 136 Cb 0.00 -2.82 0.07 0.00 -0.22 0.00 0.00 33.01 30.04 2jjx s GLN 136 CO 0.00 0.34 0.89 -1.25 -0.25 0.00 0.00 175.29 175.02 2jjx s PRO 137 N -4.09 2.18 0.00 2.91 0.04 -1.26 -4.44 135.00 130.35 2jjx s PRO 137 Ca 0.36 -0.79 0.00 0.00 0.04 0.00 0.00 61.00 60.61 2jjx s PRO 137 Cb -0.09 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.07 2jjx s PRO 137 CO 0.31 -1.06 0.00 1.19 0.04 0.00 0.00 177.00 177.48 2jjx n PHE 138 N -2.62 0.00 -4.34 0.56 0.99 -1.26 -4.96 117.46 105.84 2jjx n PHE 138 Ca 0.10 0.00 -0.25 0.00 -0.00 0.00 0.00 57.45 57.30 2jjx n PHE 138 Cb 0.60 -1.14 -0.12 0.00 -1.00 0.00 0.00 39.48 37.82 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 -1.61 1.95 0.39 -4.37 0.11 -1.26 -5.14 120.40 110.46 2jjx s VAL 139 Ca 0.00 -1.71 0.05 0.00 -2.93 0.00 0.00 61.98 57.38 2jjx s VAL 139 Cb 0.00 -1.78 -0.00 0.00 -1.53 0.00 0.00 36.38 33.06 2jjx s VAL 139 CO 0.00 -0.07 0.55 -0.89 -3.33 0.00 0.00 175.10 171.37 2jjx s THR 140 N -1.33 3.83 0.55 5.04 2.01 -1.26 -4.98 115.64 119.49 2jjx s THR 140 Ca 0.11 -0.85 0.30 0.00 0.31 0.00 0.00 61.69 61.56 2jjx s THR 140 Cb -0.09 -3.35 0.44 0.00 0.01 0.00 0.00 72.50 69.51 2jjx s THR 140 CO 0.06 -0.17 1.91 0.74 -0.69 0.00 0.00 174.62 176.46 2jjx h THR 141 N 0.68 0.53 0.40 -0.82 2.02 -2.00 -2.42 112.91 111.30 2jjx h THR 141 Ca -0.45 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 2jjx h THR 141 Cb 1.26 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2jjx h THR 141 CO 0.53 0.00 -0.23 0.44 0.37 0.00 0.00 175.52 176.63 2jjx h ASP 142 N 0.00 -0.57 0.40 4.18 3.32 -1.99 -3.03 116.42 118.72 2jjx h ASP 142 Ca 0.34 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.40 2jjx h ASP 142 Cb 1.46 0.16 0.00 0.00 0.22 0.00 0.00 39.33 41.17 2jjx h ASP 142 CO -0.00 -0.37 -0.20 0.22 -1.72 0.00 0.00 179.24 177.16 2jjx h TYR 143 N -0.60 -0.53 -0.67 4.55 3.20 -1.81 -2.24 116.97 118.87 2jjx h TYR 143 Ca -0.05 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.89 2jjx h TYR 143 Cb 0.48 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.89 2jjx h TYR 143 CO -0.08 -0.33 0.45 -1.35 -1.64 0.00 0.00 178.16 175.21 2jjx h PRO 144 N -0.55 0.62 -0.40 1.82 0.10 -1.68 -0.38 132.00 131.52 2jjx h PRO 144 Ca -0.05 -0.04 -0.14 0.00 0.10 0.00 0.00 66.00 65.87 2jjx h PRO 144 Cb 0.43 -0.14 -0.01 0.00 0.10 0.00 0.00 31.00 31.38 2jjx h PRO 144 CO 0.08 0.41 -0.30 0.66 0.10 0.00 0.00 178.00 178.95 2jjx h SER 145 N 0.64 0.91 0.43 -2.05 4.64 -1.37 -0.30 113.55 116.44 2jjx h SER 145 Ca 0.30 -0.37 -0.19 0.00 -0.47 0.00 0.00 61.79 61.06 2jjx h SER 145 Cb 0.34 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 2jjx h SER 145 CO -0.10 1.13 -0.78 -0.37 -0.87 0.00 0.00 176.83 175.84 2jjx h VAL 146 N 0.74 1.43 0.20 0.95 -1.51 -0.84 -1.58 116.25 115.63 2jjx h VAL 146 Ca 0.08 -2.34 -0.01 0.00 -1.23 0.00 0.00 66.70 63.21 2jjx h VAL 146 Cb 0.85 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 32.28 2jjx h VAL 146 CO 0.08 0.69 -0.10 -0.61 -1.23 0.00 0.00 177.57 176.40 2jjx h GLN 147 N 0.18 -0.26 -0.28 5.19 4.15 -0.98 -1.74 115.11 121.37 2jjx h GLN 147 Ca -0.04 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 2jjx h GLN 147 Cb 1.37 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 29.11 2jjx h GLN 147 CO 0.13 -0.14 0.16 0.00 -1.93 0.00 0.00 178.83 177.04 2jjx h ARG 148 N -0.31 0.37 -0.31 1.69 2.47 -0.97 -0.80 114.38 116.52 2jjx h ARG 148 Ca -0.03 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 2jjx h ARG 148 Cb 0.24 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 2jjx h ARG 148 CO 0.05 0.27 0.18 0.00 0.56 0.00 0.00 179.97 181.02 2jjx h ALA 149 N 1.79 0.40 -0.31 0.04 0.00 -0.93 -0.33 119.26 119.92 2jjx h ALA 149 Ca 0.10 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2jjx h ALA 149 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2jjx h ALA 149 CO -0.02 -0.09 -0.15 0.82 0.00 0.00 0.00 179.25 179.81 2jjx h ILE 150 N 0.39 1.29 -0.51 0.00 2.04 -0.79 0.11 117.51 120.05 2jjx h ILE 150 Ca 0.11 -1.26 0.06 0.00 1.00 0.00 0.00 64.86 64.77 2jjx h ILE 150 Cb 0.04 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 2jjx h ILE 150 CO -0.02 0.40 0.34 -0.33 0.00 0.00 0.00 178.15 178.54 2jjx h GLU 151 N 0.40 0.44 -0.62 2.37 5.08 -1.01 -1.97 114.58 119.27 2jjx h GLU 151 Ca 0.07 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2jjx h GLU 151 Cb 0.68 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2jjx h GLU 151 CO 0.05 0.29 0.00 -0.12 -1.00 0.00 0.00 179.01 178.23 2jjx n MET 152 N -4.47 3.01 -3.82 2.33 1.56 -0.15 -4.91 117.12 110.67 2jjx n MET 152 Ca 0.07 -2.27 -0.26 0.00 -0.27 0.00 0.00 57.70 54.97 2jjx n MET 152 Cb 0.24 -1.70 0.03 0.00 2.15 0.00 0.00 33.22 33.94 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 0.96 -2.73 -4.80 6.12 3.02 -0.74 -4.94 115.26 112.15 2jjx n ASN 153 Ca 0.21 -0.82 -0.32 0.00 -0.03 0.00 0.00 54.58 53.62 2jjx n ASN 153 Cb 0.69 -3.90 0.02 0.00 -0.61 0.00 0.00 39.78 35.98 2jjx n ASN 153 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2jjx s SER 154 N -3.89 5.65 0.02 6.41 0.01 0.38 -4.90 113.70 117.37 2jjx s SER 154 Ca 0.30 1.79 0.08 0.00 1.31 0.00 0.00 55.95 59.44 2jjx s SER 154 Cb -0.15 -2.53 -0.23 0.00 0.21 0.00 0.00 66.02 63.32 2jjx s SER 154 CO 0.83 -1.26 0.89 0.44 0.41 0.00 0.00 173.24 174.55 2jjx h ASP 155 N 0.19 0.06 -5.00 2.44 3.32 -0.74 -3.47 116.42 113.22 2jjx h ASP 155 Ca -0.46 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.49 2jjx h ASP 155 Cb 1.22 -0.02 -0.11 0.00 0.22 0.00 0.00 39.33 40.64 2jjx h ASP 155 CO 0.57 1.07 0.21 0.00 -1.72 0.00 0.00 179.24 179.38 2jjx s ALA 156 N -2.64 -1.57 -0.15 3.45 0.00 -1.23 -4.39 121.76 115.23 2jjx s ALA 156 Ca -0.04 0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.36 2jjx s ALA 156 Cb 0.08 0.88 0.01 0.00 0.00 0.00 0.00 23.12 24.09 2jjx s ALA 156 CO 0.82 -0.79 -0.18 -1.50 0.00 0.00 0.00 175.76 174.11 2jjx s ILE 157 N -3.76 2.37 -0.31 0.00 2.07 -0.44 -2.46 121.20 118.67 2jjx s ILE 157 Ca 0.02 -0.87 -0.11 0.00 -1.41 0.00 0.00 60.65 58.28 2jjx s ILE 157 Cb -0.01 -1.98 -0.03 0.00 0.13 0.00 0.00 42.46 40.57 2jjx s ILE 157 CO -0.11 0.53 0.20 -0.76 -1.91 0.00 0.00 174.94 172.88 2jjx s LEU 158 N 0.87 4.21 -0.57 8.50 1.43 0.00 -1.44 118.68 131.68 2jjx s LEU 158 Ca -0.05 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 2jjx s LEU 158 Cb -0.15 -2.09 0.14 0.00 0.03 0.00 0.00 46.19 44.12 2jjx s LEU 158 CO -0.02 -0.15 0.49 0.54 0.23 0.00 0.00 176.35 177.43 2jjx s VAL 159 N 1.71 4.82 -0.01 -1.59 0.11 0.75 -0.73 120.40 125.46 2jjx s VAL 159 Ca 0.06 -1.87 -0.30 0.00 -2.93 0.00 0.00 61.98 56.94 2jjx s VAL 159 Cb -0.17 -4.10 -0.05 0.00 -1.53 0.00 0.00 36.38 30.54 2jjx s VAL 159 CO 0.09 -0.86 1.30 0.00 -3.33 0.00 0.00 175.10 172.30 2jjx s ALA 160 N 1.16 3.53 0.50 1.54 0.00 -0.92 -3.28 121.76 124.30 2jjx s ALA 160 Ca 0.07 0.79 0.07 0.00 0.00 0.00 0.00 51.96 52.89 2jjx s ALA 160 Cb -0.25 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.35 2jjx s ALA 160 CO -0.01 -0.79 0.42 0.15 0.00 0.00 0.00 175.76 175.53 2jjx s LYS 161 N 2.13 2.33 -0.44 0.00 -0.14 0.10 -4.57 119.74 119.15 2jjx s LYS 161 Ca 0.60 -1.84 0.06 0.00 -1.36 0.00 0.00 55.97 53.44 2jjx s LYS 161 Cb -0.29 -2.22 0.22 0.00 -1.68 0.00 0.00 37.83 33.86 2jjx s LYS 161 CO 0.25 -0.49 0.49 0.00 -0.76 0.00 0.00 175.35 174.84 2jjx n GLN 162 N -1.72 0.82 0.00 1.68 -0.00 -1.26 0.80 117.38 117.71 2jjx n GLN 162 Ca 0.02 -3.45 0.00 0.00 -0.00 0.00 0.00 57.00 53.57 2jjx n GLN 162 Cb 0.63 -1.54 0.00 0.00 -0.00 0.00 0.00 30.24 29.34 2jjx n GLN 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jjx n GLY 163 N 1.82 1.99 3.56 2.61 0.00 -1.26 -4.94 105.19 108.96 2jjx n GLY 163 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 2jjx n GLY 163 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jjx s VAL 164 N -1.86 5.17 -1.58 1.61 -7.23 -1.26 -4.99 120.40 110.26 2jjx s VAL 164 Ca 0.00 0.04 0.30 0.00 -1.81 0.00 0.00 61.98 60.51 2jjx s VAL 164 Cb 0.00 -3.50 0.58 0.00 0.56 0.00 0.00 36.38 34.02 2jjx s VAL 164 CO 0.00 0.20 2.05 -0.67 -0.31 0.00 0.00 175.10 176.37 2jjx n ASP 165 N 5.05 0.10 0.00 4.85 4.64 -1.26 -3.74 116.55 126.19 2jjx n ASP 165 Ca -0.14 -0.39 0.00 0.00 -1.38 0.00 0.00 54.79 52.88 2jjx n ASP 165 Cb 0.51 -0.19 0.00 0.00 -1.04 0.00 0.00 41.12 40.40 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 1.23 -0.69 3.37 0.27 0.00 -1.26 -3.97 105.19 104.14 2jjx n GLY 166 Ca 0.16 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.59 3.58 0.29 1.61 1.01 -1.26 -4.86 120.40 117.18 2jjx s VAL 167 Ca 0.00 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.61 2jjx s VAL 167 Cb 0.00 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 2jjx s VAL 167 CO 0.00 0.43 0.36 -0.36 0.00 0.00 0.00 175.10 175.54 2jjx s PHE 168 N 1.20 3.18 0.10 5.22 0.40 -1.26 0.02 117.98 126.84 2jjx s PHE 168 Ca 0.03 -0.16 -0.28 0.00 -0.60 0.00 0.00 56.93 55.92 2jjx s PHE 168 Cb -0.14 -1.74 -0.13 0.00 0.51 0.00 0.00 43.02 41.52 2jjx s PHE 168 CO -0.00 0.24 1.66 1.79 0.70 0.00 0.00 175.22 179.61 2jjx h THR 169 N 1.13 0.52 -3.84 0.64 1.35 -0.80 -3.45 112.91 108.46 2jjx h THR 169 Ca -0.48 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.24 2jjx h THR 169 Cb 1.25 0.52 -0.19 0.00 -1.73 0.00 0.00 68.15 68.00 2jjx h THR 169 CO 0.57 0.00 -0.57 -0.94 -0.25 0.00 0.00 175.52 174.33 2jjx s SER 170 N -4.77 0.20 -0.42 5.36 1.04 -1.26 -5.01 113.70 108.83 2jjx s SER 170 Ca -0.16 -0.52 -0.41 0.00 0.48 0.00 0.00 55.95 55.35 2jjx s SER 170 Cb 0.06 0.19 -0.16 0.00 0.10 0.00 0.00 66.02 66.21 2jjx s SER 170 CO 0.64 -0.45 2.09 0.47 0.98 0.00 0.00 173.24 176.98 2jjx n ASP 171 N 1.01 1.44 0.24 7.02 9.92 -1.26 -4.61 116.55 130.30 2jjx n ASP 171 Ca -0.20 0.65 0.16 0.00 -0.53 0.00 0.00 54.79 54.86 2jjx n ASP 171 Cb 0.57 -1.05 0.63 0.00 -0.64 0.00 0.00 41.12 40.63 2jjx n ASP 171 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2jjx h PRO 172 N 9.83 0.00 0.00 -0.24 0.13 -1.94 -2.96 132.00 136.82 2jjx h PRO 172 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2jjx h PRO 172 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2jjx h PRO 172 CO 1.05 0.00 0.00 0.36 -0.23 0.00 0.00 178.00 179.18 2jjx n LYS 173 N -2.86 0.00 0.00 0.86 2.85 -1.26 -3.72 118.16 114.03 2jjx n LYS 173 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 2jjx n LYS 173 Cb 0.29 -1.13 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 2jjx n LYS 173 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2jjx n HIS 174 N -0.59 -1.15 -2.25 5.58 8.25 -1.15 -5.11 115.22 118.81 2jjx n HIS 174 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 2jjx n HIS 174 Cb 0.00 0.44 -0.02 0.00 1.12 0.00 0.00 29.99 31.53 2jjx n HIS 174 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2jjx s ASN 175 N -1.97 6.52 0.18 0.41 -0.87 -1.13 -4.90 114.94 113.17 2jjx s ASN 175 Ca 0.00 1.47 -0.10 0.00 -1.57 0.00 0.00 52.86 52.65 2jjx s ASN 175 Cb 0.00 -2.54 0.22 0.00 -0.02 0.00 0.00 41.25 38.92 2jjx s ASN 175 CO 0.00 -1.16 1.11 1.17 -2.57 0.00 0.00 177.10 175.64 2jjx n LYS 176 N 7.47 -0.13 -3.91 -0.60 3.00 -1.26 -3.37 118.16 119.36 2jjx n LYS 176 Ca 0.17 1.10 -0.32 0.00 -0.00 0.00 0.00 58.31 59.26 2jjx n LYS 176 Cb 0.46 -1.64 -0.13 0.00 0.00 0.00 0.00 35.03 33.72 2jjx n LYS 176 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2jjx s SER 177 N -5.23 4.62 0.03 3.14 0.01 -1.26 -5.02 113.70 109.99 2jjx s SER 177 Ca -0.10 -2.80 0.06 0.00 1.31 0.00 0.00 55.95 54.42 2jjx s SER 177 Cb 0.16 -1.69 -0.03 0.00 0.21 0.00 0.00 66.02 64.67 2jjx s SER 177 CO 0.52 -0.30 -0.15 0.00 0.41 0.00 0.00 173.24 173.73 2jjx s ALA 178 N 0.01 2.71 0.20 1.44 0.00 -1.22 -4.89 121.76 120.01 2jjx s ALA 178 Ca 0.16 -1.14 0.11 0.00 0.00 0.00 0.00 51.96 51.08 2jjx s ALA 178 Cb -0.24 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 2jjx s ALA 178 CO -0.02 0.58 -0.18 0.15 0.00 0.00 0.00 175.76 176.29 2jjx s LYS 179 N -1.42 1.74 -0.08 0.00 1.02 -1.26 -4.89 119.74 114.85 2jjx s LYS 179 Ca 0.15 -1.47 -0.05 0.00 0.02 0.00 0.00 55.97 54.63 2jjx s LYS 179 Cb -0.11 -1.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.22 2jjx s LYS 179 CO 0.06 0.40 0.12 1.41 -0.92 0.00 0.00 175.35 176.41 2jjx s MET 180 N -2.87 3.32 0.17 1.68 -2.45 -1.26 -0.04 119.30 117.84 2jjx s MET 180 Ca 0.24 -0.25 -0.30 0.00 -1.25 0.00 0.00 55.69 54.13 2jjx s MET 180 Cb -0.08 -3.07 -0.07 0.00 1.25 0.00 0.00 34.83 32.86 2jjx s MET 180 CO 0.13 0.74 0.99 0.71 1.05 0.00 0.00 175.02 178.63 2jjx s TYR 181 N -1.07 3.81 -0.08 4.11 2.02 0.10 -0.82 117.35 125.43 2jjx s TYR 181 Ca 0.17 1.79 -0.20 0.00 -0.37 0.00 0.00 57.07 58.47 2jjx s TYR 181 Cb -0.12 -3.09 -0.29 0.00 -0.40 0.00 0.00 41.96 38.06 2jjx s TYR 181 CO 0.07 0.09 0.72 -0.09 -1.57 0.00 0.00 175.55 174.77 2jjx h ARG 182 N 5.00 0.25 -5.93 -0.62 9.65 -1.83 -3.37 114.38 117.54 2jjx h ARG 182 Ca -0.44 -0.43 -0.52 0.00 -1.10 0.00 0.00 59.98 57.49 2jjx h ARG 182 Cb 1.21 0.16 -0.21 0.00 -1.39 0.00 0.00 29.97 29.74 2jjx h ARG 182 CO 0.71 1.21 -0.81 0.15 2.80 0.00 0.00 179.97 184.02 2jjx s LYS 183 N -2.44 1.05 -0.09 0.20 1.02 -1.26 -1.28 119.74 116.94 2jjx s LYS 183 Ca -0.17 -1.13 -0.04 0.00 0.02 0.00 0.00 55.97 54.65 2jjx s LYS 183 Cb 0.02 -1.24 0.05 0.00 -0.52 0.00 0.00 37.83 36.15 2jjx s LYS 183 CO 0.79 0.28 0.20 -1.17 -0.92 0.00 0.00 175.35 174.53 2jjx s LEU 184 N -1.92 0.30 0.63 3.17 2.96 -0.42 -2.21 118.68 121.19 2jjx s LEU 184 Ca 0.05 0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 54.28 2jjx s LEU 184 Cb -0.10 0.53 -0.03 0.00 0.50 0.00 0.00 46.19 47.09 2jjx s LEU 184 CO 0.04 -0.19 1.03 0.21 -1.32 0.00 0.00 176.35 176.13 2jjx s ASN 185 N 1.61 6.08 0.00 3.68 3.84 -1.26 -0.87 114.94 128.03 2jjx s ASN 185 Ca -0.05 1.46 0.00 0.00 0.21 0.00 0.00 52.86 54.48 2jjx s ASN 185 Cb -0.11 -2.48 0.00 0.00 -0.55 0.00 0.00 41.25 38.11 2jjx s ASN 185 CO -0.07 -0.97 0.11 -1.22 -2.79 0.00 0.00 177.10 172.16 2jjx n TYR 186 N -2.78 0.00 -0.13 0.43 4.01 -0.91 -2.33 117.16 115.46 2jjx n TYR 186 Ca 0.06 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.92 2jjx n TYR 186 Cb 0.54 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.77 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 -0.19 0.09 0.08 7.72 3.02 -1.26 0.41 115.26 125.13 2jjx n ASN 187 Ca 0.00 0.49 -0.01 0.00 -0.03 0.00 0.00 54.58 55.04 2jjx n ASN 187 Cb 0.00 -0.24 0.28 0.00 -0.61 0.00 0.00 39.78 39.21 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 0.29 0.26 6.41 5.19 -1.95 0.15 116.42 126.76 2jjx h ASP 188 Ca 0.28 -0.09 -0.19 0.00 -0.62 0.00 0.00 57.03 56.41 2jjx h ASP 188 Cb 0.82 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.25 2jjx h ASP 188 CO -0.20 0.56 -0.77 1.62 -3.12 0.00 0.00 179.24 177.33 2jjx h VAL 189 N 0.27 1.38 0.17 -1.35 3.04 0.84 -2.70 116.25 117.89 2jjx h VAL 189 Ca 0.04 -2.19 -0.30 0.00 -1.01 0.00 0.00 66.70 63.24 2jjx h VAL 189 Cb 0.61 2.16 0.03 0.00 -2.01 0.00 0.00 31.29 32.08 2jjx h VAL 189 CO 0.04 0.66 -1.29 1.62 -1.01 0.00 0.00 177.57 177.59 2jjx h VAL 190 N 0.28 1.30 0.04 1.51 3.04 -1.34 0.41 116.25 121.49 2jjx h VAL 190 Ca -0.04 -2.54 0.00 0.00 -1.01 0.00 0.00 66.70 63.11 2jjx h VAL 190 Cb 1.36 2.86 -0.01 0.00 -2.01 0.00 0.00 31.29 33.49 2jjx h VAL 190 CO 0.13 0.77 -0.11 0.03 -1.01 0.00 0.00 177.57 177.38 2jjx h ARG 191 N 0.17 -0.16 -1.14 4.17 3.08 -0.77 -1.43 114.38 118.29 2jjx h ARG 191 Ca -0.21 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2jjx h ARG 191 Cb 1.98 0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.07 2jjx h ARG 191 CO 0.25 -0.11 0.00 1.04 -1.07 0.00 0.00 179.97 180.08 2jjx n GLN 192 N -3.06 0.77 -2.72 0.04 6.02 -1.02 -4.85 117.38 112.56 2jjx n GLN 192 Ca -0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.88 2jjx n GLN 192 Cb 0.09 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.18 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 0.52 -1.66 -4.82 1.08 5.15 -0.54 -4.87 115.26 110.10 2jjx n ASN 193 Ca 0.00 -0.28 -0.38 0.00 -0.60 0.00 0.00 54.58 53.32 2jjx n ASN 193 Cb 0.35 -0.54 -0.06 0.00 -0.53 0.00 0.00 39.78 39.00 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 -1.96 4.92 -0.84 -1.44 1.01 0.14 -5.02 121.20 118.03 2jjx s ILE 194 Ca 0.03 0.99 0.01 0.00 0.00 0.00 0.00 60.65 61.67 2jjx s ILE 194 Cb -0.00 -3.79 0.22 0.00 0.01 0.00 0.00 42.46 38.90 2jjx s ILE 194 CO 0.30 0.57 0.79 0.00 0.00 0.00 0.00 174.94 176.59 2jjx n GLN 195 N 1.81 2.63 -0.02 2.79 1.13 -1.26 -4.73 117.38 119.74 2jjx n GLN 195 Ca -0.12 -4.52 -0.03 0.00 -1.94 0.00 0.00 57.00 50.38 2jjx n GLN 195 Cb 0.52 -2.37 -0.01 0.00 0.11 0.00 0.00 30.24 28.48 2jjx n GLN 195 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2jjx n VAL 196 N 1.89 0.18 -3.94 5.09 0.31 -1.26 -5.08 118.33 115.52 2jjx n VAL 196 Ca 0.23 -0.05 -0.09 0.00 -0.01 0.00 0.00 64.34 64.42 2jjx n VAL 196 Cb 0.37 -1.31 -0.09 0.00 -0.91 0.00 0.00 33.84 31.90 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 -2.06 0.65 0.26 5.55 0.23 -1.26 -5.13 119.30 117.54 2jjx s MET 197 Ca -0.05 -0.88 -0.18 0.00 -1.03 0.00 0.00 55.69 53.56 2jjx s MET 197 Cb 0.02 0.25 -0.12 0.00 -1.53 0.00 0.00 34.83 33.45 2jjx s MET 197 CO 0.06 -0.17 0.17 -0.25 -2.03 0.00 0.00 175.02 172.80 2jjx n ASP 198 N 0.47 -1.81 -0.07 -1.18 8.00 -1.26 -4.80 116.55 115.90 2jjx n ASP 198 Ca -0.17 0.70 -0.14 0.00 0.71 0.00 0.00 54.79 55.88 2jjx n ASP 198 Cb 0.60 -0.69 -0.06 0.00 -0.02 0.00 0.00 41.12 40.95 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 0.41 0.59 -0.55 -1.24 4.20 -1.99 -2.45 115.11 114.07 2jjx h GLN 199 Ca -0.26 -0.35 0.02 0.00 0.06 0.00 0.00 58.65 58.12 2jjx h GLN 199 Cb 1.10 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.89 2jjx h GLN 199 CO 0.38 0.96 0.37 0.00 -0.67 0.00 0.00 178.83 179.87 2jjx h ALA 200 N 0.62 1.67 -0.10 3.87 0.00 -2.00 0.25 119.26 123.58 2jjx h ALA 200 Ca 0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2jjx h ALA 200 Cb 0.91 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2jjx h ALA 200 CO 0.07 0.28 -0.17 0.00 0.00 0.00 0.00 179.25 179.44 2jjx h ALA 201 N 1.67 0.16 -0.19 0.00 0.00 -1.89 -2.72 119.26 116.28 2jjx h ALA 201 Ca 0.21 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.82 2jjx h ALA 201 Cb 0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2jjx h ALA 201 CO -0.05 0.07 -0.10 1.25 0.00 0.00 0.00 179.25 180.42 2jjx h LEU 202 N -0.14 -0.34 0.01 0.00 7.12 -0.89 0.04 115.31 121.11 2jjx h LEU 202 Ca 0.01 0.08 0.02 0.00 0.13 0.00 0.00 57.88 58.12 2jjx h LEU 202 Cb 0.74 0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 41.02 2jjx h LEU 202 CO 0.04 -0.13 -0.16 -0.07 -0.13 0.00 0.00 178.44 177.98 2jjx h LEU 203 N -0.09 -0.46 -0.20 2.25 4.07 -0.54 0.19 115.31 120.53 2jjx h LEU 203 Ca 0.11 0.07 0.05 0.00 0.08 0.00 0.00 57.88 58.18 2jjx h LEU 203 Cb 0.25 0.19 -0.05 0.00 1.08 0.00 0.00 40.66 42.13 2jjx h LEU 203 CO -0.25 -0.22 -0.11 0.25 -1.08 0.00 0.00 178.44 177.03 2jjx h LEU 204 N -0.27 -0.35 -0.49 1.67 6.46 -1.11 0.78 115.31 122.00 2jjx h LEU 204 Ca 0.05 0.08 0.06 0.00 -0.12 0.00 0.00 57.88 57.95 2jjx h LEU 204 Cb 0.33 0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.40 2jjx h LEU 204 CO -0.15 -0.14 0.21 0.00 -0.62 0.00 0.00 178.44 177.74 2jjx h ALA 205 N 1.08 0.60 -0.19 1.25 0.00 -0.59 -1.07 119.26 120.34 2jjx h ALA 205 Ca 0.11 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jjx h ALA 205 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2jjx h ALA 205 CO -0.26 -0.17 0.12 -0.09 0.00 0.00 0.00 179.25 178.85 2jjx h ARG 206 N 0.41 0.25 -0.48 0.00 1.12 0.43 0.10 114.38 116.21 2jjx h ARG 206 Ca 0.22 -0.02 0.07 0.00 -1.11 0.00 0.00 59.98 59.14 2jjx h ARG 206 Cb 0.19 -0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 30.07 2jjx h ARG 206 CO -0.20 0.20 0.32 -0.44 -3.11 0.00 0.00 179.97 176.75 2jjx h ASP 207 N 0.23 0.32 -0.07 -3.80 5.19 0.11 -2.14 116.42 116.26 2jjx h ASP 207 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2jjx h ASP 207 Cb 0.01 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.46 2jjx h ASP 207 CO -0.01 0.21 0.00 -1.22 -3.12 0.00 0.00 179.24 175.09 2jjx n TYR 208 N -4.47 0.07 -2.30 4.55 4.01 -0.46 -4.98 117.16 113.58 2jjx n TYR 208 Ca 0.07 -0.04 -0.14 0.00 -0.16 0.00 0.00 57.90 57.63 2jjx n TYR 208 Cb 0.28 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.31 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 1.18 -4.38 -4.70 7.72 3.02 0.14 -5.00 115.26 113.25 2jjx n ASN 209 Ca 0.13 -0.02 -0.42 0.00 -0.03 0.00 0.00 54.58 54.23 2jjx n ASN 209 Cb 0.52 -3.52 -0.03 0.00 -0.61 0.00 0.00 39.78 36.14 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 -4.13 4.29 0.44 3.41 0.20 0.03 -5.01 118.68 117.91 2jjx s LEU 210 Ca 0.01 1.62 -0.11 0.00 0.69 0.00 0.00 54.13 56.35 2jjx s LEU 210 Cb -0.01 -3.56 -0.06 0.00 -0.43 0.00 0.00 46.19 42.13 2jjx s LEU 210 CO 0.01 -0.40 0.81 -2.16 -0.29 0.00 0.00 176.35 174.32 2jjx s PRO 211 N 1.67 3.77 0.03 0.98 0.04 -1.26 -4.56 135.00 135.66 2jjx s PRO 211 Ca 0.51 0.51 0.03 0.00 0.04 0.00 0.00 61.00 62.09 2jjx s PRO 211 Cb -0.20 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 31.97 2jjx s PRO 211 CO 0.22 -0.11 -0.10 0.00 0.04 0.00 0.00 177.00 177.05 2jjx s ALA 212 N -2.48 0.83 -0.14 8.56 0.00 -0.78 -1.33 121.76 126.42 2jjx s ALA 212 Ca 0.52 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.80 2jjx s ALA 212 Cb -0.10 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.94 2jjx s ALA 212 CO 0.34 0.12 -0.17 -1.01 0.00 0.00 0.00 175.76 175.03 2jjx s HIS 213 N -0.89 2.32 -0.18 0.00 3.76 -0.52 0.55 115.29 120.32 2jjx s HIS 213 Ca -0.02 -1.22 -0.05 0.00 -0.15 0.00 0.00 55.06 53.62 2jjx s HIS 213 Cb -0.07 -1.64 -0.03 0.00 1.11 0.00 0.00 32.58 31.95 2jjx s HIS 213 CO 0.01 -0.61 -0.01 0.08 -0.85 0.00 0.00 174.74 173.35 2jjx s VAL 214 N 1.12 3.99 0.39 -0.90 1.01 -0.26 -0.18 120.40 125.57 2jjx s VAL 214 Ca -0.02 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 2jjx s VAL 214 Cb -0.14 -2.78 0.05 0.00 0.00 0.00 0.00 36.38 33.51 2jjx s VAL 214 CO -0.06 0.47 0.74 2.22 0.00 0.00 0.00 175.10 178.46 2jjx n PHE 215 N 3.81 -2.22 -2.95 5.22 -1.74 -1.20 -0.57 117.46 117.80 2jjx n PHE 215 Ca -0.17 -1.93 -0.44 0.00 -0.56 0.00 0.00 57.45 54.35 2jjx n PHE 215 Cb 0.52 0.86 -0.04 0.00 1.52 0.00 0.00 39.48 42.35 2jjx n PHE 215 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 2jjx s ASN 216 N -3.08 6.23 0.37 5.98 3.84 -1.25 -0.72 114.94 126.31 2jjx s ASN 216 Ca 0.18 -1.26 0.11 0.00 0.21 0.00 0.00 52.86 52.10 2jjx s ASN 216 Cb -0.04 -2.38 0.73 0.00 -0.55 0.00 0.00 41.25 39.01 2jjx s ASN 216 CO 0.13 -1.29 1.85 0.15 -2.79 0.00 0.00 177.10 175.16 2jjx h PHE 217 N 9.35 0.14 0.00 0.43 3.57 0.07 -2.37 116.94 128.13 2jjx h PHE 217 Ca -0.24 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.23 2jjx h PHE 217 Cb 1.07 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.78 2jjx h PHE 217 CO 0.94 0.39 0.00 -0.44 -2.23 0.00 0.00 178.31 176.98 2jjx h ASP 218 N 0.11 0.00 -3.73 0.41 5.19 -1.89 -3.41 116.42 113.11 2jjx h ASP 218 Ca 0.02 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.79 2jjx h ASP 218 Cb 0.55 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.91 2jjx h ASP 218 CO 0.04 0.00 -0.26 -1.61 -3.12 0.00 0.00 179.24 174.29 2jjx s GLU 219 N -3.84 3.94 0.30 3.56 0.41 -0.89 -5.04 118.70 117.13 2jjx s GLU 219 Ca -0.03 -0.06 -0.30 0.00 -0.41 0.00 0.00 54.97 54.18 2jjx s GLU 219 Cb 0.10 -3.68 -0.12 0.00 -1.78 0.00 0.00 34.13 28.65 2jjx s GLU 219 CO 0.38 -0.32 1.48 -2.30 -0.49 0.00 0.00 175.26 174.01 2jjx n PRO 220 N 5.33 2.43 0.00 0.39 -0.02 -1.26 -2.98 135.00 138.89 2jjx n PRO 220 Ca -0.09 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2jjx n PRO 220 Cb 0.51 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2jjx n PRO 220 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jjx n GLY 221 N 1.69 2.80 0.33 -1.23 0.00 -1.26 -4.91 105.19 102.62 2jjx n GLY 221 Ca 0.08 -0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.24 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 0.28 0.00 1.61 3.04 -1.83 -0.61 116.25 118.74 2jjx h VAL 222 Ca 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.56 2jjx h VAL 222 Cb 0.00 0.87 -0.02 0.00 -2.01 0.00 0.00 31.29 30.13 2jjx h VAL 222 CO 0.00 0.00 -0.60 -0.03 -1.01 0.00 0.00 177.57 175.93 2jjx h MET 223 N 0.00 0.00 -0.02 4.17 -1.53 -1.89 -2.53 114.93 113.13 2jjx h MET 223 Ca 0.04 0.00 -0.26 0.00 -3.44 0.00 0.00 59.70 56.04 2jjx h MET 223 Cb 0.34 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 31.41 2jjx h MET 223 CO -0.00 0.60 -0.99 -0.09 0.14 0.00 0.00 176.91 176.58 2jjx h ARG 224 N 0.00 0.70 -0.58 0.39 2.43 -1.47 -2.31 114.38 113.54 2jjx h ARG 224 Ca -0.01 -0.73 -0.07 0.00 -0.81 0.00 0.00 59.98 58.37 2jjx h ARG 224 Cb 1.35 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 31.07 2jjx h ARG 224 CO 0.08 1.31 0.09 0.00 -1.51 0.00 0.00 179.97 179.94 2jjx h ARG 225 N 0.38 0.93 -0.07 0.20 3.08 -1.39 0.17 114.38 117.67 2jjx h ARG 225 Ca -0.12 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 2jjx h ARG 225 Cb 1.64 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.57 2jjx h ARG 225 CO 0.20 0.86 0.02 0.82 -1.07 0.00 0.00 179.97 180.80 2jjx h ILE 226 N 0.88 1.17 -0.06 2.04 2.04 -1.44 0.60 117.51 122.74 2jjx h ILE 226 Ca 0.18 -0.51 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 2jjx h ILE 226 Cb 0.39 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 2jjx h ILE 226 CO 0.01 0.14 -0.24 0.00 0.00 0.00 0.00 178.15 178.06 2jjx n LEU 228 N -4.21 0.00 0.00 0.00 4.77 0.57 -3.65 117.00 114.48 2jjx n LEU 228 Ca -0.02 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2jjx n LEU 228 Cb 0.32 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2jjx n LEU 228 CO 0.38 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2jjx n GLY 229 N 0.85 0.38 3.74 -0.72 0.00 -0.68 -4.86 105.19 103.90 2jjx n GLY 229 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.81 2.49 -1.06 1.61 2.02 0.20 -4.71 118.70 118.44 2jjx s GLU 230 Ca 0.00 1.81 -0.11 0.00 0.02 0.00 0.00 54.97 56.69 2jjx s GLU 230 Cb 0.00 -1.87 0.26 0.00 0.10 0.00 0.00 34.13 32.62 2jjx s GLU 230 CO 0.00 -1.58 1.06 -1.01 0.02 0.00 0.00 175.26 173.76 2jjx s HIS 231 N -1.79 4.10 -0.01 1.61 3.76 -1.26 -4.35 115.29 117.34 2jjx s HIS 231 Ca 0.76 -2.49 0.07 0.00 -0.15 0.00 0.00 55.06 53.25 2jjx s HIS 231 Cb -0.30 -3.88 -0.02 0.00 1.11 0.00 0.00 32.58 29.49 2jjx s HIS 231 CO 0.41 -1.00 -0.23 0.54 -0.85 0.00 0.00 174.74 173.61 2jjx s VAL 232 N -0.72 1.82 0.00 -0.90 0.11 -1.26 -5.05 120.40 114.40 2jjx s VAL 232 Ca 0.29 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.32 2jjx s VAL 232 Cb -0.09 -1.52 0.00 0.00 -1.53 0.00 0.00 36.38 33.24 2jjx s VAL 232 CO -0.08 0.48 0.00 0.61 -3.33 0.00 0.00 175.10 172.79 2jjx n GLY 233 N 2.43 -1.04 3.68 6.54 0.00 -1.25 -4.83 105.19 110.72 2jjx n GLY 233 Ca -0.16 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 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 4.34 -0.24 2.61 2.01 0.26 -4.66 115.64 119.96 2jjx s THR 234 Ca 0.00 -0.23 -0.06 0.00 0.31 0.00 0.00 61.69 61.71 2jjx s THR 234 Cb 0.00 -2.83 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 2jjx s THR 234 CO 0.00 0.59 0.03 -0.22 -0.69 0.00 0.00 174.62 174.34 2jjx s LEU 235 N -0.77 3.28 -0.34 4.42 0.20 -0.41 -1.10 118.68 123.96 2jjx s LEU 235 Ca 0.12 -0.30 -0.12 0.00 0.69 0.00 0.00 54.13 54.51 2jjx s LEU 235 Cb -0.12 -1.86 -0.01 0.00 -0.43 0.00 0.00 46.19 43.77 2jjx s LEU 235 CO 0.02 -0.04 0.23 -0.63 -0.29 0.00 0.00 176.35 175.64 2jjx s ILE 236 N 1.56 5.13 0.15 6.68 1.01 0.19 -1.29 121.20 134.63 2jjx s ILE 236 Ca 0.06 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.44 2jjx s ILE 236 Cb -0.15 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 2jjx s ILE 236 CO 0.01 -0.01 0.09 -3.20 0.00 0.00 0.00 174.94 171.83 2jjx n ASN 237 N 5.08 0.27 -0.96 3.58 4.05 -0.05 -1.87 115.26 125.37 2jjx n ASN 237 Ca -0.13 -1.92 0.08 0.00 0.45 0.00 0.00 54.58 53.06 2jjx n ASN 237 Cb 0.49 0.59 0.23 0.00 1.23 0.00 0.00 39.78 42.33 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 -2.19 3.52 -2.79 1.20 -0.08 -1.26 -2.14 116.55 112.81 2jjx n ASP 238 Ca 0.01 -2.18 -0.09 0.00 -1.51 0.00 0.00 54.79 51.02 2jjx n ASP 238 Cb 0.26 -0.37 0.07 0.00 2.34 0.00 0.00 41.12 43.42 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 0.73 -1.21 -4.63 1.67 9.92 -1.26 -4.96 116.55 116.81 2jjx n ASP 239 Ca 0.18 -0.73 -0.35 0.00 -0.53 0.00 0.00 54.79 53.36 2jjx n ASP 239 Cb 0.59 -0.29 -0.10 0.00 -0.64 0.00 0.00 41.12 40.67 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 -3.08 3.23 0.23 2.24 0.00 -1.26 -4.51 121.76 118.61 2jjx s ALA 240 Ca 0.21 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 51.07 2jjx s ALA 240 Cb -0.02 -1.55 -0.15 0.00 0.00 0.00 0.00 23.12 21.40 2jjx s ALA 240 CO 0.16 0.44 1.00 0.43 0.00 0.00 0.00 175.76 177.79 2jjx n SER 241 N 2.67 0.95 0.00 0.00 7.64 -1.26 -4.83 113.62 118.80 2jjx n SER 241 Ca -0.18 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.86 2jjx n SER 241 Cb 0.53 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 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 1.62 0.00 -3.65 -3.43 7.94 -0.94 -4.95 117.00 113.59 2jjx n LEU 242 Ca 0.13 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 55.04 2jjx n LEU 242 Cb 0.28 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.17 2jjx n LEU 242 CO 0.60 0.00 0.93 -0.22 -1.11 0.00 0.00 177.39 177.59 2jjx s LEU 243 N 0.00 -0.17 0.98 -1.96 2.96 -1.26 -4.13 118.68 115.10 2jjx s LEU 243 Ca 0.00 0.27 -0.14 0.00 -0.22 0.00 0.00 54.13 54.04 2jjx s LEU 243 Cb 0.00 1.24 0.04 0.00 0.50 0.00 0.00 46.19 47.98 2jjx s LEU 243 CO 0.00 -0.04 0.31 0.52 -1.32 0.00 0.00 176.35 175.82 2jjx n VAL 244 N 3.18 0.00 -0.52 1.68 0.31 0.00 -4.65 118.33 118.33 2jjx n VAL 244 Ca -0.17 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 2jjx n VAL 244 Cb 0.57 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 2jjx n VAL 244 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51