#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jgr s PRO 5 N 0.00 4.63 0.55 -1.08 0.05 -1.26 -4.85 135.00 133.04 2jgr s PRO 5 Ca 0.00 1.29 -0.18 0.00 0.05 0.00 0.00 61.00 62.16 2jgr s PRO 5 Cb 0.00 -3.35 -0.06 0.00 0.05 0.00 0.00 34.50 31.15 2jgr s PRO 5 CO 0.00 0.32 1.05 0.00 0.05 0.00 0.00 177.00 178.42 2jgr s ALA 6 N -0.32 2.79 -0.04 8.56 0.00 -1.26 -4.55 121.76 126.94 2jgr s ALA 6 Ca 0.42 0.50 -0.07 0.00 0.00 0.00 0.00 51.96 52.81 2jgr s ALA 6 Cb -0.23 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.66 2jgr s ALA 6 CO 0.27 -0.61 0.16 -1.12 0.00 0.00 0.00 175.76 174.47 2jgr s SER 7 N -2.43 -0.11 -0.11 0.00 0.01 -0.53 -0.58 113.70 109.96 2jgr s SER 7 Ca 0.65 0.17 0.03 0.00 1.31 0.00 0.00 55.95 58.11 2jgr s SER 7 Cb -0.16 0.31 -0.00 0.00 0.21 0.00 0.00 66.02 66.37 2jgr s SER 7 CO 0.30 -0.16 -0.22 -0.22 0.41 0.00 0.00 173.24 173.34 2jgr s LEU 8 N -0.40 2.21 -0.20 2.44 0.20 -1.10 -0.25 118.68 121.58 2jgr s LEU 8 Ca -0.05 -0.52 -0.06 0.00 0.69 0.00 0.00 54.13 54.19 2jgr s LEU 8 Cb -0.03 -1.45 -0.03 0.00 -0.43 0.00 0.00 46.19 44.25 2jgr s LEU 8 CO 0.01 0.15 0.03 -0.22 -0.29 0.00 0.00 176.35 176.03 2jgr s LEU 9 N 0.38 3.49 -0.42 -0.68 2.96 0.18 -1.52 118.68 123.08 2jgr s LEU 9 Ca -0.17 -0.09 -0.13 0.00 -0.22 0.00 0.00 54.13 53.52 2jgr s LEU 9 Cb -0.17 -1.89 0.05 0.00 0.50 0.00 0.00 46.19 44.67 2jgr s LEU 9 CO 0.08 0.10 0.29 -0.63 -1.32 0.00 0.00 176.35 174.86 2jgr s ILE 10 N 0.81 4.85 -0.12 6.68 1.01 -0.63 -0.62 121.20 133.17 2jgr s ILE 10 Ca 0.02 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 59.55 2jgr s ILE 10 Cb -0.14 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 2jgr s ILE 10 CO 0.02 -0.39 0.40 -0.76 0.00 0.00 0.00 174.94 174.21 2jgr s LEU 11 N 1.58 4.29 0.19 2.97 1.43 0.14 -1.14 118.68 128.15 2jgr s LEU 11 Ca 0.03 0.71 -0.30 0.00 -1.03 0.00 0.00 54.13 53.55 2jgr s LEU 11 Cb -0.21 -2.55 -0.08 0.00 0.03 0.00 0.00 46.19 43.37 2jgr s LEU 11 CO 0.07 0.08 1.24 0.21 0.23 0.00 0.00 176.35 178.18 2jgr s ASN 12 N 0.34 7.01 0.51 2.29 2.47 -0.07 -0.44 114.94 127.05 2jgr s ASN 12 Ca 0.22 2.30 0.33 0.00 0.42 0.00 0.00 52.86 56.13 2jgr s ASN 12 Cb -0.14 -2.61 1.45 0.00 -1.45 0.00 0.00 41.25 38.50 2jgr s ASN 12 CO 0.08 -0.43 1.78 1.23 -3.72 0.00 0.00 177.10 176.04 2jgr h GLY 13 N 5.26 0.34 0.23 1.21 0.00 -1.84 -2.95 103.07 105.32 2jgr h GLY 13 Ca -0.45 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 2jgr h GLY 13 CO 0.75 -0.05 -0.11 0.50 0.00 0.00 0.00 176.54 177.64 2jgr h LYS 14 N 0.09 -0.29 -2.16 4.80 1.57 -1.90 -3.35 116.57 115.34 2jgr h LYS 14 Ca 0.59 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.38 2jgr h LYS 14 Cb 2.15 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 34.52 2jgr h LYS 14 CO -0.09 -0.16 0.05 -1.13 -0.57 0.00 0.00 179.45 177.56 2jgr n SER 15 N -4.97 1.50 0.00 0.86 3.41 -1.11 -4.64 113.62 108.67 2jgr n SER 15 Ca -0.04 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.09 2jgr n SER 15 Cb 0.13 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 2jgr n SER 15 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jgr n THR 16 N 2.08 0.00 0.00 6.66 -2.24 -1.26 -4.80 114.28 114.72 2jgr n THR 16 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2jgr n THR 16 Cb 0.17 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 2jgr n THR 16 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2jgr n ASP 17 N -0.30 0.00 0.00 3.42 5.68 -1.26 -4.78 116.55 119.30 2jgr n ASP 17 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2jgr n ASP 17 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2jgr n ASP 17 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2jgr n ASN 18 N 0.00 0.00 -0.28 -1.12 2.85 -1.26 -5.06 115.26 110.39 2jgr n ASN 18 Ca 0.00 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.54 2jgr n ASN 18 Cb 0.00 0.00 0.22 0.00 1.24 0.00 0.00 39.78 41.24 2jgr n ASN 18 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2jgr h LEU 19 N 0.00 0.39 -0.46 1.20 5.85 -2.00 -2.10 115.31 118.19 2jgr h LEU 19 Ca 0.00 0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.92 2jgr h LEU 19 Cb 0.00 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 2jgr h LEU 19 CO 0.00 0.13 -0.04 1.55 -0.34 0.00 0.00 178.44 179.74 2jgr h PRO 20 N 0.51 0.07 -0.47 5.25 0.13 -1.98 0.12 132.00 135.64 2jgr h PRO 20 Ca 0.46 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.59 2jgr h PRO 20 Cb 0.71 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 2jgr h PRO 20 CO -0.41 0.04 0.30 1.25 -0.23 0.00 0.00 178.00 178.96 2jgr h LEU 21 N 0.07 0.54 -0.45 1.56 5.85 -1.79 0.90 115.31 121.98 2jgr h LEU 21 Ca 0.23 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.00 2jgr h LEU 21 Cb 0.35 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 2jgr h LEU 21 CO -0.42 0.40 0.08 -0.09 -0.34 0.00 0.00 178.44 178.08 2jgr h ARG 22 N 0.63 0.21 -0.21 1.25 2.43 -0.70 0.25 114.38 118.25 2jgr h ARG 22 Ca 0.17 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.17 2jgr h ARG 22 Cb -0.06 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2jgr h ARG 22 CO -0.04 0.14 -0.52 0.93 -1.51 0.00 0.00 179.97 178.97 2jgr h GLU 23 N 0.21 0.59 -0.67 0.20 5.08 -0.29 -2.53 114.58 117.17 2jgr h GLU 23 Ca 0.22 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2jgr h GLU 23 Cb 0.29 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 2jgr h GLU 23 CO -0.30 0.97 0.38 0.00 -1.00 0.00 0.00 179.01 179.06 2jgr h ALA 24 N 0.97 0.86 0.00 3.43 0.00 0.11 -1.90 119.26 122.73 2jgr h ALA 24 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jgr h ALA 24 Cb 1.06 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2jgr h ALA 24 CO 0.10 0.36 0.00 -0.89 0.00 0.00 0.00 179.25 178.82 2jgr n ILE 25 N -4.54 0.31 0.00 0.00 5.41 0.87 -2.82 119.36 118.59 2jgr n ILE 25 Ca 0.05 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.79 2jgr n ILE 25 Cb 0.07 -0.70 0.00 0.00 -0.71 0.00 0.00 39.64 38.30 2jgr n ILE 25 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2jgr n LEU 27 N 0.99 0.00 0.07 1.39 4.32 -0.72 -1.91 117.00 121.15 2jgr n LEU 27 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.95 2jgr n LEU 27 Cb 0.14 0.00 0.16 0.00 -1.62 0.00 0.00 43.42 42.09 2jgr n LEU 27 CO 0.00 0.00 0.56 -0.07 -1.22 0.00 0.00 177.39 176.66 2jgr h LEU 28 N 0.00 0.33 -1.05 2.23 4.07 -1.80 -1.59 115.31 117.50 2jgr h LEU 28 Ca 0.00 -0.16 -0.06 0.00 0.08 0.00 0.00 57.88 57.74 2jgr h LEU 28 Cb 0.00 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 2jgr h LEU 28 CO 0.00 0.77 0.07 -0.09 -1.08 0.00 0.00 178.44 178.11 2jgr h ARG 29 N 0.24 0.75 0.00 1.13 9.65 -1.66 -2.74 114.38 121.75 2jgr h ARG 29 Ca 0.01 -0.16 -0.07 0.00 -1.10 0.00 0.00 59.98 58.65 2jgr h ARG 29 Cb 0.96 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.43 2jgr h ARG 29 CO 0.08 0.71 -1.23 -0.85 2.80 0.00 0.00 179.97 181.48 2jgr n GLU 30 N -4.26 0.61 0.00 0.20 0.28 -1.10 -2.47 120.64 113.91 2jgr n GLU 30 Ca 0.03 0.15 0.02 0.00 -0.16 0.00 0.00 57.16 57.20 2jgr n GLU 30 Cb 0.25 -1.80 0.11 0.00 1.43 0.00 0.00 31.44 31.42 2jgr n GLU 30 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2jgr n GLU 31 N -2.75 0.06 0.00 3.44 2.13 -0.62 -5.12 120.64 117.79 2jgr n GLU 31 Ca -0.05 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.01 2jgr n GLU 31 Cb 0.68 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.89 2jgr n GLU 31 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jgr n GLY 32 N -0.91 0.61 2.75 8.31 0.00 -1.03 -5.06 105.19 109.85 2jgr n GLY 32 Ca 0.02 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 2jgr n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jgr s THR 34 N 0.00 0.31 -0.39 2.61 2.01 -1.26 -4.91 115.64 114.01 2jgr s THR 34 Ca 0.00 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.09 2jgr s THR 34 Cb 0.00 -0.54 0.13 0.00 0.01 0.00 0.00 72.50 72.10 2jgr s THR 34 CO 0.00 0.18 0.19 -0.63 -0.69 0.00 0.00 174.62 173.67 2jgr s ILE 35 N 1.99 1.05 0.50 1.82 1.01 -1.25 -1.45 121.20 124.87 2jgr s ILE 35 Ca 0.04 -2.09 -0.22 0.00 0.00 0.00 0.00 60.65 58.38 2jgr s ILE 35 Cb -0.13 -1.76 -0.06 0.00 0.01 0.00 0.00 42.46 40.52 2jgr s ILE 35 CO -0.05 -0.85 1.26 -1.00 0.00 0.00 0.00 174.94 174.30 2jgr s HIS 36 N 0.83 2.61 0.12 3.97 3.76 0.66 -4.83 115.29 122.40 2jgr s HIS 36 Ca 0.15 1.46 0.10 0.00 -0.15 0.00 0.00 55.06 56.63 2jgr s HIS 36 Cb -0.22 -3.58 -0.04 0.00 1.11 0.00 0.00 32.58 29.85 2jgr s HIS 36 CO -0.07 -2.15 -0.26 0.08 -0.85 0.00 0.00 174.74 171.49 2jgr s VAL 37 N -1.43 2.17 -0.14 -0.90 1.01 -1.26 0.51 120.40 120.36 2jgr s VAL 37 Ca 0.67 -1.69 -0.10 0.00 0.00 0.00 0.00 61.98 60.87 2jgr s VAL 37 Cb -0.34 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.17 2jgr s VAL 37 CO 0.41 0.10 0.35 -0.13 0.00 0.00 0.00 175.10 175.83 2jgr s ARG 38 N -1.94 0.37 -0.07 2.72 1.81 0.20 -4.89 118.95 117.15 2jgr s ARG 38 Ca 0.13 0.60 0.00 0.00 -1.72 0.00 0.00 55.73 54.74 2jgr s ARG 38 Cb -0.10 0.06 -0.03 0.00 -0.45 0.00 0.00 34.95 34.44 2jgr s ARG 38 CO 0.05 -0.11 -0.06 0.08 -0.68 0.00 0.00 175.30 174.59 2jgr s VAL 39 N 0.80 3.79 0.15 3.52 1.01 -1.26 0.26 120.40 128.67 2jgr s VAL 39 Ca -0.05 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 2jgr s VAL 39 Cb -0.06 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 2jgr s VAL 39 CO -0.06 0.60 0.34 0.42 0.00 0.00 0.00 175.10 176.40 2jgr s THR 40 N -0.81 5.24 -0.01 3.92 -4.23 0.42 -4.91 115.64 115.25 2jgr s THR 40 Ca 0.12 -0.25 0.04 0.00 -1.18 0.00 0.00 61.69 60.42 2jgr s THR 40 Cb -0.11 -3.67 -0.06 0.00 1.34 0.00 0.00 72.50 70.00 2jgr s THR 40 CO 0.02 -0.03 0.07 1.87 -0.54 0.00 0.00 174.62 176.00 2jgr n TRP 41 N -0.21 0.00 -3.65 3.99 -0.00 -1.26 -2.62 117.44 113.69 2jgr n TRP 41 Ca -0.04 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.47 2jgr n TRP 41 Cb 0.52 -0.12 -0.01 0.00 -0.00 0.00 0.00 31.31 31.71 2jgr n TRP 41 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 177.69 175.86 2jgr s GLU 42 N -2.24 0.52 0.12 5.87 -1.05 -1.26 -4.99 118.70 115.67 2jgr s GLU 42 Ca -0.02 -0.29 -0.34 0.00 -0.15 0.00 0.00 54.97 54.18 2jgr s GLU 42 Cb 0.02 0.18 -0.18 0.00 -0.44 0.00 0.00 34.13 33.71 2jgr s GLU 42 CO 0.17 -0.24 0.90 1.17 0.95 0.00 0.00 175.26 178.21 2jgr n LYS 43 N -0.49 0.33 0.00 -4.83 3.00 -1.26 -1.42 118.16 113.48 2jgr n LYS 43 Ca -0.08 0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 2jgr n LYS 43 Cb 0.62 -1.44 0.00 0.00 0.00 0.00 0.00 35.03 34.22 2jgr n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jgr n GLY 44 N 1.80 3.35 0.10 3.14 0.00 -1.26 -4.89 105.19 107.43 2jgr n GLY 44 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 2jgr n GLY 44 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jgr h ASP 45 N 0.00 0.21 -0.71 1.61 3.32 -1.67 -2.91 116.42 116.27 2jgr h ASP 45 Ca 0.00 -0.08 0.13 0.00 0.02 0.00 0.00 57.03 57.11 2jgr h ASP 45 Cb 0.00 -0.05 -0.13 0.00 0.22 0.00 0.00 39.33 39.36 2jgr h ASP 45 CO 0.00 0.23 -0.27 0.00 -1.72 0.00 0.00 179.24 177.48 2jgr h ALA 46 N 0.99 0.24 -0.75 3.45 0.00 -1.90 0.81 119.26 122.09 2jgr h ALA 46 Ca 0.06 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2jgr h ALA 46 Cb 0.06 0.70 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2jgr h ALA 46 CO -0.01 -0.54 0.41 0.00 0.00 0.00 0.00 179.25 179.11 2jgr h ALA 47 N 1.40 1.32 -0.70 0.00 0.00 -1.80 0.83 119.26 120.30 2jgr h ALA 47 Ca 0.31 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2jgr h ALA 47 Cb 0.56 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2jgr h ALA 47 CO -0.75 0.56 0.18 -0.09 0.00 0.00 0.00 179.25 179.15 2jgr h ARG 48 N 1.05 1.11 0.00 0.00 2.43 -0.66 -1.39 114.38 116.92 2jgr h ARG 48 Ca 0.27 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2jgr h ARG 48 Cb 0.02 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 2jgr h ARG 48 CO -0.04 0.97 -0.46 1.88 -1.51 0.00 0.00 179.97 180.81 2jgr h TYR 49 N 1.05 0.00 -0.32 2.20 0.05 -0.88 -1.94 116.97 117.12 2jgr h TYR 49 Ca 0.22 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.98 2jgr h TYR 49 Cb 0.35 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 2jgr h TYR 49 CO 0.03 0.34 0.12 0.28 -1.05 0.00 0.00 178.16 177.88 2jgr h VAL 50 N 0.00 1.19 -0.67 -2.88 2.07 -0.61 -1.02 116.25 114.33 2jgr h VAL 50 Ca -0.02 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 66.97 2jgr h VAL 50 Cb 1.27 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 2jgr h VAL 50 CO 0.04 0.20 0.44 -0.08 0.02 0.00 0.00 177.57 178.19 2jgr h GLU 51 N 0.37 0.72 -0.17 1.57 4.57 -0.84 -1.33 114.58 119.47 2jgr h GLU 51 Ca 0.11 -0.04 -0.20 0.00 -1.18 0.00 0.00 59.36 58.04 2jgr h GLU 51 Cb 0.20 -0.16 0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2jgr h GLU 51 CO -0.01 0.48 -0.68 1.49 -1.18 0.00 0.00 179.01 179.10 2jgr h GLU 52 N 0.74 0.76 -0.82 1.92 4.81 -1.13 -2.36 114.58 118.51 2jgr h GLU 52 Ca 0.28 -0.59 0.16 0.00 -0.13 0.00 0.00 59.36 59.07 2jgr h GLU 52 Cb 0.16 0.11 -0.10 0.00 0.63 0.00 0.00 28.75 29.55 2jgr h GLU 52 CO -0.08 1.21 0.36 0.00 -0.73 0.00 0.00 179.01 179.77 2jgr h ALA 53 N 0.56 1.22 -0.14 2.92 0.00 -0.18 -2.20 119.26 121.42 2jgr h ALA 53 Ca -0.04 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2jgr h ALA 53 Cb 1.31 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2jgr h ALA 53 CO 0.14 -0.20 0.09 0.00 0.00 0.00 0.00 179.25 179.29 2jgr h ARG 54 N 0.49 0.19 -0.80 0.00 2.47 -0.77 -2.31 114.38 113.65 2jgr h ARG 54 Ca 0.46 -0.01 0.16 0.00 -1.26 0.00 0.00 59.98 59.33 2jgr h ARG 54 Cb 0.73 -0.04 -0.15 0.00 -1.65 0.00 0.00 29.97 28.86 2jgr h ARG 54 CO -0.42 0.13 -0.20 0.87 0.56 0.00 0.00 179.97 180.91 2jgr h LYS 55 N 0.19 0.00 0.00 0.04 1.57 -1.01 0.24 116.57 117.60 2jgr h LYS 55 Ca 0.05 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2jgr h LYS 55 Cb -0.02 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2jgr h LYS 55 CO -0.01 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.06 2jgr n PHE 56 N -5.52 0.19 -2.17 -1.35 3.72 -0.99 -4.88 117.46 106.46 2jgr n PHE 56 Ca 0.11 0.07 -0.16 0.00 -0.05 0.00 0.00 57.45 57.43 2jgr n PHE 56 Cb 0.41 -0.62 -0.02 0.00 -0.94 0.00 0.00 39.48 38.31 2jgr n PHE 56 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jgr n GLY 57 N 0.16 0.01 3.54 1.37 0.00 0.85 -4.97 105.19 106.15 2jgr n GLY 57 Ca 0.04 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 2jgr n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jgr n VAL 58 N -3.78 1.36 0.06 1.61 0.31 -1.06 -4.92 118.33 111.91 2jgr n VAL 58 Ca -0.19 -0.26 -0.21 0.00 -0.01 0.00 0.00 64.34 63.67 2jgr n VAL 58 Cb 0.63 -0.88 -0.15 0.00 -0.91 0.00 0.00 33.84 32.53 2jgr n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jgr h ALA 59 N -0.92 0.23 -3.47 3.52 0.00 -1.19 -3.40 119.26 114.04 2jgr h ALA 59 Ca -0.45 -1.17 -0.30 0.00 0.00 0.00 0.00 54.91 52.99 2jgr h ALA 59 Cb 1.31 0.43 -0.24 0.00 0.00 0.00 0.00 17.79 19.29 2jgr h ALA 59 CO 0.41 1.10 -0.74 0.99 0.00 0.00 0.00 179.25 181.01 2jgr s THR 60 N -2.59 0.53 -0.15 0.00 2.01 -1.23 -1.24 115.64 112.97 2jgr s THR 60 Ca -0.14 -0.77 -0.05 0.00 0.31 0.00 0.00 61.69 61.04 2jgr s THR 60 Cb 0.06 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 2jgr s THR 60 CO 0.85 -0.18 0.01 -0.69 -0.69 0.00 0.00 174.62 173.91 2jgr s VAL 61 N -0.90 4.32 -0.25 3.82 1.01 0.16 -2.72 120.40 125.84 2jgr s VAL 61 Ca -0.05 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 2jgr s VAL 61 Cb -0.07 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 2jgr s VAL 61 CO 0.00 0.50 0.02 -0.63 0.00 0.00 0.00 175.10 175.00 2jgr s ILE 62 N 0.12 3.78 -0.45 2.22 1.01 -0.57 -0.70 121.20 126.61 2jgr s ILE 62 Ca 0.02 -0.46 -0.27 0.00 0.00 0.00 0.00 60.65 59.93 2jgr s ILE 62 Cb -0.13 -2.80 0.03 0.00 0.01 0.00 0.00 42.46 39.57 2jgr s ILE 62 CO 0.02 0.31 1.01 0.00 0.00 0.00 0.00 174.94 176.27 2jgr s ALA 63 N 1.52 3.24 -0.72 9.38 0.00 0.72 -1.61 121.76 134.28 2jgr s ALA 63 Ca 0.05 -0.60 -0.16 0.00 0.00 0.00 0.00 51.96 51.25 2jgr s ALA 63 Cb -0.15 -3.72 0.17 0.00 0.00 0.00 0.00 23.12 19.41 2jgr s ALA 63 CO 0.00 -2.05 0.71 0.20 0.00 0.00 0.00 175.76 174.62 2jgr s GLY 64 N 2.26 2.32 0.00 0.00 0.00 -0.29 -0.96 107.32 110.65 2jgr s GLY 64 Ca 0.42 -2.91 0.00 0.00 0.00 0.00 0.00 44.72 42.22 2jgr s GLY 64 CO 0.27 1.35 0.00 0.61 0.00 0.00 0.00 173.10 175.33 2jgr n GLY 65 N 4.64 -1.47 0.00 0.20 0.00 -0.92 -0.90 105.19 106.74 2jgr n GLY 65 Ca 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2jgr n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgr n GLY 66 N -0.14 1.71 0.36 -0.02 0.00 -1.26 -1.50 105.19 104.33 2jgr n GLY 66 Ca 0.00 -1.98 0.04 0.00 0.00 0.00 0.00 46.02 44.08 2jgr n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jgr h ASP 67 N 0.00 0.96 -0.54 1.61 3.45 -1.93 -2.03 116.42 117.95 2jgr h ASP 67 Ca 0.00 0.02 0.01 0.00 0.43 0.00 0.00 57.03 57.50 2jgr h ASP 67 Cb 0.00 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.56 2jgr h ASP 67 CO 0.00 0.58 0.34 1.23 -1.57 0.00 0.00 179.24 179.82 2jgr h GLY 68 N 1.08 0.76 1.23 2.75 0.00 -1.94 0.12 103.07 107.06 2jgr h GLY 68 Ca 0.44 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 47.39 2jgr h GLY 68 CO -0.20 0.24 -0.19 -0.84 0.00 0.00 0.00 176.54 175.55 2jgr h THR 69 N 0.68 1.27 -1.01 4.70 2.02 -1.89 -1.02 112.91 117.67 2jgr h THR 69 Ca 0.21 -1.32 0.03 0.00 0.77 0.00 0.00 66.41 66.10 2jgr h THR 69 Cb -0.03 1.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 2jgr h THR 69 CO -0.07 0.45 0.66 0.40 0.37 0.00 0.00 175.52 177.34 2jgr h ILE 70 N 0.78 1.20 -0.26 3.11 2.04 -0.53 -1.17 117.51 122.68 2jgr h ILE 70 Ca 0.11 -0.45 -0.10 0.00 1.00 0.00 0.00 64.86 65.42 2jgr h ILE 70 Cb 0.73 -0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 2jgr h ILE 70 CO 0.06 0.24 -0.28 0.78 0.00 0.00 0.00 178.15 178.95 2jgr h ASN 71 N 1.30 0.51 -0.11 1.72 2.35 -0.42 0.47 115.58 121.40 2jgr h ASN 71 Ca 0.39 -0.18 -0.17 0.00 -0.55 0.00 0.00 56.30 55.79 2jgr h ASN 71 Cb -0.04 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 2jgr h ASN 71 CO -0.12 0.78 -0.55 -0.33 -1.65 0.00 0.00 177.43 175.56 2jgr h GLU 72 N 0.44 0.70 -0.06 0.81 5.08 -0.56 0.29 114.58 121.29 2jgr h GLU 72 Ca 0.06 -0.45 -0.06 0.00 -1.00 0.00 0.00 59.36 57.91 2jgr h GLU 72 Cb 0.71 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2jgr h GLU 72 CO 0.05 1.07 -0.20 0.28 -1.00 0.00 0.00 179.01 179.21 2jgr h VAL 73 N 0.54 1.43 -0.45 3.13 2.07 -1.19 -2.06 116.25 119.72 2jgr h VAL 73 Ca 0.01 -1.59 0.05 0.00 0.82 0.00 0.00 66.70 65.99 2jgr h VAL 73 Cb 1.13 2.30 -0.04 0.00 -1.52 0.00 0.00 31.29 33.16 2jgr h VAL 73 CO 0.11 0.45 0.20 0.28 0.02 0.00 0.00 177.57 178.63 2jgr h SER 74 N -0.27 0.26 -0.48 0.57 0.02 -0.80 0.18 113.55 113.04 2jgr h SER 74 Ca -0.01 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2jgr h SER 74 Cb 0.82 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 2jgr h SER 74 CO 0.04 0.19 0.10 0.74 -1.14 0.00 0.00 176.83 176.76 2jgr h THR 75 N 0.40 1.24 -0.32 -2.27 2.02 -0.35 0.49 112.91 114.11 2jgr h THR 75 Ca 0.20 -0.87 -0.08 0.00 0.77 0.00 0.00 66.41 66.43 2jgr h THR 75 Cb 0.15 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 2jgr h THR 75 CO -0.17 0.31 -0.12 0.00 0.37 0.00 0.00 175.52 175.91 2jgr h ALA 76 N 0.97 1.18 0.83 6.16 0.00 -1.23 -2.31 119.26 124.86 2jgr h ALA 76 Ca 0.15 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2jgr h ALA 76 Cb 0.36 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2jgr h ALA 76 CO 0.01 0.52 -0.40 -0.07 0.00 0.00 0.00 179.25 179.31 2jgr h LEU 77 N 0.51 -0.94 0.00 0.00 3.38 0.18 -1.68 115.31 116.76 2jgr h LEU 77 Ca 0.09 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2jgr h LEU 77 Cb 0.52 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2jgr h LEU 77 CO 0.03 -0.63 0.00 2.30 0.09 0.00 0.00 178.44 180.23 2jgr n ILE 78 N -5.54 0.00 -1.50 1.22 -6.64 0.15 -0.81 119.36 106.23 2jgr n ILE 78 Ca -0.15 0.00 -0.09 0.00 -1.77 0.00 0.00 62.75 60.74 2jgr n ILE 78 Cb 0.45 -0.82 0.17 0.00 -1.44 0.00 0.00 39.64 38.00 2jgr n ILE 78 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2jgr n GLN 79 N -0.98 2.07 -2.83 6.28 10.64 -0.64 -4.97 117.38 126.94 2jgr n GLN 79 Ca 0.08 -3.28 -0.41 0.00 -1.83 0.00 0.00 57.00 51.55 2jgr n GLN 79 Cb 0.03 -1.91 -0.04 0.00 -0.86 0.00 0.00 30.24 27.46 2jgr n GLN 79 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2jgr s GLU 81 N 0.60 3.00 0.00 0.00 0.41 -1.26 -5.02 118.70 116.43 2jgr s GLU 81 Ca 0.46 1.60 0.00 0.00 -0.41 0.00 0.00 54.97 56.62 2jgr s GLU 81 Cb -0.21 -1.96 0.00 0.00 -1.78 0.00 0.00 34.13 30.19 2jgr s GLU 81 CO 0.25 -1.13 0.00 0.41 -0.49 0.00 0.00 175.26 174.30 2jgr n GLY 82 N 0.04 -0.57 0.26 -1.39 0.00 -1.26 -4.94 105.19 97.33 2jgr n GLY 82 Ca 0.12 -2.16 -0.12 0.00 0.00 0.00 0.00 46.02 43.86 2jgr n GLY 82 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jgr n ASP 83 N 0.00 2.17 -3.84 1.61 -0.08 -1.26 -4.80 116.55 110.36 2jgr n ASP 83 Ca 0.00 0.03 -0.42 0.00 -1.51 0.00 0.00 54.79 52.89 2jgr n ASP 83 Cb 0.00 -0.30 0.01 0.00 2.34 0.00 0.00 41.12 43.17 2jgr n ASP 83 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2jgr n ASP 84 N -3.20 6.67 -4.70 1.67 8.00 -1.26 -4.98 116.55 118.75 2jgr n ASP 84 Ca -0.26 -3.43 -0.42 0.00 0.71 0.00 0.00 54.79 51.39 2jgr n ASP 84 Cb 0.73 -1.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.53 2jgr n ASP 84 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jgr s ILE 85 N -2.70 3.59 0.82 0.53 1.09 -1.26 -4.94 121.20 118.32 2jgr s ILE 85 Ca 0.36 1.06 -0.13 0.00 -1.10 0.00 0.00 60.65 60.85 2jgr s ILE 85 Cb 0.11 -3.68 0.09 0.00 -1.06 0.00 0.00 42.46 37.91 2jgr s ILE 85 CO 0.01 0.04 1.18 -2.84 -0.10 0.00 0.00 174.94 173.23 2jgr s PRO 86 N 1.81 1.62 0.85 2.79 0.02 -1.26 -5.03 135.00 135.81 2jgr s PRO 86 Ca 0.64 1.65 -0.11 0.00 0.02 0.00 0.00 61.00 63.21 2jgr s PRO 86 Cb -0.33 -1.78 0.15 0.00 0.02 0.00 0.00 34.50 32.56 2jgr s PRO 86 CO 0.28 -2.21 1.19 0.00 -0.33 0.00 0.00 177.00 175.93 2jgr s ALA 87 N -2.31 2.76 -0.02 -1.55 0.00 -0.37 -4.73 121.76 115.53 2jgr s ALA 87 Ca 0.71 -1.25 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 2jgr s ALA 87 Cb -0.26 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 2jgr s ALA 87 CO 0.52 -1.98 0.19 -1.17 0.00 0.00 0.00 175.76 173.31 2jgr s LEU 88 N -5.59 4.37 0.10 0.00 2.96 0.17 0.37 118.68 121.06 2jgr s LEU 88 Ca 0.69 0.38 0.03 0.00 -0.22 0.00 0.00 54.13 55.01 2jgr s LEU 88 Cb -0.06 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 2jgr s LEU 88 CO 0.49 0.28 -0.08 -0.83 -1.32 0.00 0.00 176.35 174.89 2jgr s GLY 89 N -1.80 0.82 -0.04 7.98 0.00 0.13 -1.18 107.32 113.21 2jgr s GLY 89 Ca 0.26 -1.29 0.03 0.00 0.00 0.00 0.00 44.72 43.71 2jgr s GLY 89 CO 0.17 -1.39 -0.12 -0.42 0.00 0.00 0.00 173.10 171.34 2jgr s ILE 90 N -3.15 1.05 -0.16 0.90 1.01 -1.26 -0.20 121.20 119.39 2jgr s ILE 90 Ca 0.10 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2jgr s ILE 90 Cb 0.02 -0.93 0.03 0.00 0.01 0.00 0.00 42.46 41.59 2jgr s ILE 90 CO -0.02 0.32 -0.11 -0.76 0.00 0.00 0.00 174.94 174.36 2jgr s LEU 91 N 0.26 1.74 -0.72 2.97 1.43 -0.14 -4.68 118.68 119.54 2jgr s LEU 91 Ca -0.06 -0.58 -0.26 0.00 -1.03 0.00 0.00 54.13 52.21 2jgr s LEU 91 Cb -0.11 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 2jgr s LEU 91 CO 0.02 -0.10 1.85 -2.16 0.23 0.00 0.00 176.35 176.18 2jgr s PRO 92 N 1.52 2.66 0.00 1.29 0.04 -1.26 -2.15 135.00 137.09 2jgr s PRO 92 Ca 0.03 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.31 2jgr s PRO 92 Cb -0.14 -4.61 0.00 0.00 0.04 0.00 0.00 34.50 29.79 2jgr s PRO 92 CO -0.09 -2.89 0.52 1.28 0.04 0.00 0.00 177.00 175.86 2jgr n LEU 93 N 12.86 0.76 0.00 -3.56 4.77 -0.56 -4.89 117.00 126.37 2jgr n LEU 93 Ca 0.26 -0.76 -0.09 0.00 -0.03 0.00 0.00 56.01 55.39 2jgr n LEU 93 Cb 0.50 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.67 2jgr n LEU 93 CO 0.67 0.19 0.17 0.61 -1.33 0.00 0.00 177.39 177.70 2jgr n GLY 94 N -0.14 -2.74 0.13 -0.72 0.00 -1.02 -4.58 105.19 96.13 2jgr n GLY 94 Ca 0.00 -1.43 -0.21 0.00 0.00 0.00 0.00 46.02 44.38 2jgr n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jgr n THR 95 N -3.31 1.73 -4.63 2.61 -2.24 -1.26 -4.78 114.28 102.40 2jgr n THR 95 Ca 0.04 -0.54 -0.31 0.00 -2.27 0.00 0.00 64.05 60.97 2jgr n THR 95 Cb 0.18 -1.78 -0.12 0.00 -2.10 0.00 0.00 70.33 66.50 2jgr n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jgr s ALA 96 N -2.52 2.66 -0.39 6.98 0.00 -1.26 -5.04 121.76 122.19 2jgr s ALA 96 Ca -0.24 -1.17 0.11 0.00 0.00 0.00 0.00 51.96 50.66 2jgr s ALA 96 Cb 0.07 -0.80 0.44 0.00 0.00 0.00 0.00 23.12 22.83 2jgr s ALA 96 CO 0.73 0.58 1.05 0.09 0.00 0.00 0.00 175.76 178.20 2jgr n ASN 97 N 1.55 3.33 -0.30 0.00 3.02 -1.26 -4.06 115.26 117.53 2jgr n ASN 97 Ca -0.16 -3.28 0.02 0.00 -0.03 0.00 0.00 54.58 51.13 2jgr n ASN 97 Cb 0.52 -0.49 0.09 0.00 -0.61 0.00 0.00 39.78 39.30 2jgr n ASN 97 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2jgr h ASP 98 N 2.75 -0.91 -0.54 6.41 3.32 -1.94 0.11 116.42 125.62 2jgr h ASP 98 Ca 0.13 0.26 -0.03 0.00 0.02 0.00 0.00 57.03 57.42 2jgr h ASP 98 Cb 1.04 0.57 -0.02 0.00 0.22 0.00 0.00 39.33 41.13 2jgr h ASP 98 CO 0.70 -0.29 0.23 0.15 -1.72 0.00 0.00 179.24 178.31 2jgr h PHE 99 N -0.02 0.81 -0.32 4.55 3.57 -1.91 -1.53 116.94 122.09 2jgr h PHE 99 Ca 0.39 -0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.68 2jgr h PHE 99 Cb 0.62 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 2jgr h PHE 99 CO -0.69 0.65 -0.38 0.00 -2.23 0.00 0.00 178.31 175.65 2jgr h ALA 100 N 1.07 0.48 -0.66 2.41 0.00 -1.42 -2.61 119.26 118.54 2jgr h ALA 100 Ca 0.18 -0.45 0.08 0.00 0.00 0.00 0.00 54.91 54.73 2jgr h ALA 100 Cb 0.17 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 2jgr h ALA 100 CO -0.02 0.58 0.32 1.15 0.00 0.00 0.00 179.25 181.28 2jgr h THR 101 N 0.61 0.86 0.00 0.00 2.02 -0.72 -0.28 112.91 115.41 2jgr h THR 101 Ca 0.04 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2jgr h THR 101 Cb 0.97 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2jgr h THR 101 CO 0.09 0.10 0.00 0.77 0.37 0.00 0.00 175.52 176.85 2jgr h SER 102 N 0.56 0.00 -0.33 4.18 4.64 -0.95 -0.45 113.55 121.20 2jgr h SER 102 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2jgr h SER 102 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2jgr h SER 102 CO -0.25 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.04 2jgr n VAL 103 N -2.36 0.42 -3.52 0.95 0.24 -1.01 -4.47 118.33 108.58 2jgr n VAL 103 Ca 0.05 -0.67 -0.21 0.00 -2.04 0.00 0.00 64.34 61.47 2jgr n VAL 103 Cb 0.41 0.92 0.08 0.00 -1.47 0.00 0.00 33.84 33.78 2jgr n VAL 103 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jgr n GLY 104 N 1.44 -0.47 3.73 7.63 0.00 -0.18 -4.51 105.19 112.84 2jgr n GLY 104 Ca 0.19 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 2jgr n GLY 104 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jgr n ILE 105 N -4.67 0.49 -1.63 -0.61 2.08 -0.15 -4.78 119.36 110.08 2jgr n ILE 105 Ca -0.09 -0.12 -0.46 0.00 0.56 0.00 0.00 62.75 62.63 2jgr n ILE 105 Cb 0.60 -1.99 -0.03 0.00 -0.75 0.00 0.00 39.64 37.46 2jgr n ILE 105 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 2jgr n PRO 106 N 3.12 1.67 0.08 0.38 -0.02 -1.26 -4.75 135.00 134.22 2jgr n PRO 106 Ca 0.12 0.59 -0.12 0.00 -2.02 0.00 0.00 63.50 62.07 2jgr n PRO 106 Cb 0.36 -2.17 -0.08 0.00 -0.02 0.00 0.00 33.50 31.59 2jgr n PRO 106 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2jgr h GLU 107 N 3.69 -0.23 -5.95 -0.52 4.39 -1.99 -3.41 114.58 110.56 2jgr h GLU 107 Ca -0.44 0.02 -0.75 0.00 0.34 0.00 0.00 59.36 58.53 2jgr h GLU 107 Cb 1.31 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.97 2jgr h GLU 107 CO 0.72 0.16 1.35 0.00 -1.16 0.00 0.00 179.01 180.09 2jgr n ALA 108 N -2.47 0.31 -0.21 3.43 0.00 -1.26 -4.87 120.51 115.44 2jgr n ALA 108 Ca -0.09 0.14 0.16 0.00 0.00 0.00 0.00 53.44 53.65 2jgr n ALA 108 Cb 0.26 -2.14 0.49 0.00 0.00 0.00 0.00 19.45 18.06 2jgr n ALA 108 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jgr h LEU 109 N 9.52 0.43 0.01 0.00 6.46 -2.01 -2.56 115.31 127.18 2jgr h LEU 109 Ca -0.11 0.03 -0.14 0.00 -0.12 0.00 0.00 57.88 57.54 2jgr h LEU 109 Cb 1.40 -0.05 0.01 0.00 -0.73 0.00 0.00 40.66 41.29 2jgr h LEU 109 CO 1.10 0.21 -0.56 -2.24 -0.62 0.00 0.00 178.44 176.33 2jgr h ASP 110 N 0.45 0.47 -0.68 1.25 2.03 -1.95 -3.04 116.42 114.95 2jgr h ASP 110 Ca 0.42 -0.79 0.04 0.00 -0.73 0.00 0.00 57.03 55.97 2jgr h ASP 110 Cb 0.95 -0.14 -0.04 0.00 -0.83 0.00 0.00 39.33 39.26 2jgr h ASP 110 CO -0.15 1.20 0.45 0.11 -1.03 0.00 0.00 179.24 179.81 2jgr h LYS 111 N -0.21 0.78 -0.00 4.15 1.79 -1.91 -0.35 116.57 120.81 2jgr h LYS 111 Ca -0.07 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.35 2jgr h LYS 111 Cb 1.29 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2jgr h LYS 111 CO 0.11 0.52 0.00 0.00 -1.08 0.00 0.00 179.45 179.00 2jgr h ALA 112 N 1.61 0.00 -0.83 3.86 0.00 -1.52 0.13 119.26 122.51 2jgr h ALA 112 Ca 0.27 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.18 2jgr h ALA 112 Cb 0.09 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 2jgr h ALA 112 CO -0.08 -0.39 0.47 -0.07 0.00 0.00 0.00 179.25 179.18 2jgr h LEU 113 N -0.20 0.66 0.44 0.00 3.38 -1.35 0.27 115.31 118.52 2jgr h LEU 113 Ca 0.00 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2jgr h LEU 113 Cb 0.21 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2jgr h LEU 113 CO -0.00 0.36 -0.21 0.50 0.09 0.00 0.00 178.44 179.18 2jgr h LYS 114 N 0.77 -0.58 -0.43 1.13 3.64 -0.45 0.14 116.57 120.79 2jgr h LYS 114 Ca 0.41 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.90 2jgr h LYS 114 Cb 0.41 0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 32.27 2jgr h LYS 114 CO -0.26 -0.34 -0.44 1.25 -2.27 0.00 0.00 179.45 177.38 2jgr h LEU 115 N -0.68 -1.48 -1.49 5.20 5.85 -0.54 0.25 115.31 122.43 2jgr h LEU 115 Ca -0.06 0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.93 2jgr h LEU 115 Cb 0.50 0.65 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 2jgr h LEU 115 CO 0.10 -0.37 0.40 0.00 -0.34 0.00 0.00 178.44 178.23 2jgr h ALA 116 N 0.40 1.74 0.18 1.25 0.00 0.01 0.26 119.26 123.11 2jgr h ALA 116 Ca 0.14 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.69 2jgr h ALA 116 Cb 0.58 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2jgr h ALA 116 CO -0.59 0.17 -1.57 0.82 0.00 0.00 0.00 179.25 178.08 2jgr h ILE 117 N 0.65 1.15 0.00 0.00 2.04 -0.51 -3.41 117.51 117.42 2jgr h ILE 117 Ca 0.25 -2.70 -0.02 0.00 1.00 0.00 0.00 64.86 63.39 2jgr h ILE 117 Cb 0.18 2.86 -0.00 0.00 -0.74 0.00 0.00 36.82 39.11 2jgr h ILE 117 CO -0.07 0.84 -1.28 0.00 0.00 0.00 0.00 178.15 177.64 2jgr n ALA 118 N -2.74 2.13 -0.87 1.87 0.00 0.88 -4.92 120.51 116.86 2jgr n ALA 118 Ca -0.19 -0.18 -0.31 0.00 0.00 0.00 0.00 53.44 52.76 2jgr n ALA 118 Cb 1.07 -0.11 0.03 0.00 0.00 0.00 0.00 19.45 20.44 2jgr n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jgr n GLY 119 N 2.31 -3.96 3.69 0.00 0.00 0.88 -4.90 105.19 103.21 2jgr n GLY 119 Ca -0.03 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 2jgr n GLY 119 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jgr s ASP 120 N -0.86 7.05 0.36 1.61 1.01 -1.26 -4.88 116.67 119.70 2jgr s ASP 120 Ca 0.35 1.28 -0.24 0.00 0.71 0.00 0.00 52.55 54.65 2jgr s ASP 120 Cb -0.17 -2.47 -0.10 0.00 1.01 0.00 0.00 42.92 41.19 2jgr s ASP 120 CO 0.71 -0.29 0.94 0.00 0.21 0.00 0.00 175.17 176.74 2jgr s ALA 121 N 1.52 3.15 -0.02 5.23 0.00 -1.26 -2.77 121.76 127.61 2jgr s ALA 121 Ca 0.41 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.85 2jgr s ALA 121 Cb -0.18 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.80 2jgr s ALA 121 CO 0.17 0.16 -0.01 -1.50 0.00 0.00 0.00 175.76 174.58 2jgr s ILE 122 N -1.83 0.22 0.22 0.00 2.07 0.17 -4.85 121.20 117.21 2jgr s ILE 122 Ca 0.55 0.02 -0.32 0.00 -1.41 0.00 0.00 60.65 59.49 2jgr s ILE 122 Cb -0.15 -0.28 -0.13 0.00 0.13 0.00 0.00 42.46 42.03 2jgr s ILE 122 CO 0.20 0.13 1.55 0.00 -1.91 0.00 0.00 174.94 174.91 2jgr n ALA 123 N 3.86 1.76 -2.27 1.50 0.00 -1.26 -1.03 120.51 123.06 2jgr n ALA 123 Ca -0.24 0.41 -0.15 0.00 0.00 0.00 0.00 53.44 53.47 2jgr n ALA 123 Cb 0.52 -2.38 -0.10 0.00 0.00 0.00 0.00 19.45 17.50 2jgr n ALA 123 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2jgr s ILE 124 N 0.43 0.54 0.00 0.00 -4.36 0.15 -4.84 121.20 113.12 2jgr s ILE 124 Ca 0.72 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 59.12 2jgr s ILE 124 Cb -0.60 -2.41 0.00 0.00 1.25 0.00 0.00 42.46 40.69 2jgr s ILE 124 CO 0.43 -0.19 0.00 0.47 0.24 0.00 0.00 174.94 175.89 2jgr n ASP 125 N -0.35 0.00 -3.91 4.36 10.43 -0.21 -0.66 116.55 126.21 2jgr n ASP 125 Ca -0.02 -0.50 -0.11 0.00 2.57 0.00 0.00 54.79 56.73 2jgr n ASP 125 Cb 0.65 0.00 -0.12 0.00 1.84 0.00 0.00 41.12 43.49 2jgr n ASP 125 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2jgr s ALA 127 N -2.84 -0.07 -0.03 2.24 0.00 -0.18 -4.89 121.76 115.99 2jgr s ALA 127 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.73 2jgr s ALA 127 Cb 0.00 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.20 2jgr s ALA 127 CO 0.00 -0.13 -0.01 -1.14 0.00 0.00 0.00 175.76 174.49 2jgr s GLN 128 N -0.95 0.37 -0.23 0.00 0.74 -0.07 -0.73 119.66 118.79 2jgr s GLN 128 Ca -0.10 0.04 -0.11 0.00 0.05 0.00 0.00 55.36 55.23 2jgr s GLN 128 Cb -0.06 -0.51 -0.05 0.00 1.10 0.00 0.00 33.01 33.49 2jgr s GLN 128 CO -0.00 -0.11 0.20 0.08 -0.55 0.00 0.00 175.29 174.90 2jgr s VAL 129 N 0.92 5.34 -1.20 1.34 1.01 0.17 -1.13 120.40 126.84 2jgr s VAL 129 Ca -0.10 0.26 -0.24 0.00 0.00 0.00 0.00 61.98 61.91 2jgr s VAL 129 Cb -0.13 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.73 2jgr s VAL 129 CO -0.01 0.34 0.70 0.59 0.00 0.00 0.00 175.10 176.72 2jgr n ASN 130 N 4.25 -4.33 -2.07 3.32 3.02 0.36 -1.12 115.26 118.69 2jgr n ASN 130 Ca -0.14 -1.13 -0.03 0.00 -0.03 0.00 0.00 54.58 53.25 2jgr n ASN 130 Cb 0.52 -2.70 -0.01 0.00 -0.61 0.00 0.00 39.78 36.99 2jgr n ASN 130 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2jgr n LYS 131 N -4.53 -2.25 0.00 3.52 4.01 -1.26 -4.54 118.16 113.10 2jgr n LYS 131 Ca -0.12 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.69 2jgr n LYS 131 Cb 0.59 -3.18 0.00 0.00 -0.51 0.00 0.00 35.03 31.94 2jgr n LYS 131 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2jgr n GLN 132 N -1.87 0.00 -1.92 1.97 6.02 -0.28 -5.10 117.38 116.20 2jgr n GLN 132 Ca 0.01 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.60 2jgr n GLN 132 Cb 0.35 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.62 2jgr n GLN 132 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2jgr s THR 133 N 0.07 2.34 0.30 5.09 2.01 -1.14 -4.76 115.64 119.56 2jgr s THR 133 Ca 0.00 0.30 0.11 0.00 0.31 0.00 0.00 61.69 62.41 2jgr s THR 133 Cb 0.00 -3.17 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 2jgr s THR 133 CO 0.00 0.04 -0.14 0.00 -0.69 0.00 0.00 174.62 173.83 2jgr s PHE 135 N -2.52 -0.40 -0.66 0.00 -0.71 0.09 -4.97 117.98 108.81 2jgr s PHE 135 Ca 0.31 0.83 0.20 0.00 -1.04 0.00 0.00 56.93 57.23 2jgr s PHE 135 Cb -0.03 0.18 -0.24 0.00 -1.21 0.00 0.00 43.02 41.72 2jgr s PHE 135 CO 0.16 -0.36 0.72 1.51 -1.34 0.00 0.00 175.22 175.91 2jgr n ILE 136 N 1.88 0.00 0.00 -4.49 3.06 -1.26 -1.00 119.36 117.54 2jgr n ILE 136 Ca -0.18 -0.16 0.00 0.00 -2.50 0.00 0.00 62.75 59.91 2jgr n ILE 136 Cb 0.57 0.71 0.00 0.00 0.54 0.00 0.00 39.64 41.46 2jgr n ILE 136 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 2jgr n ASN 137 N -1.69 2.66 -3.68 9.51 5.15 -1.26 -4.30 115.26 121.65 2jgr n ASN 137 Ca 0.02 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.90 2jgr n ASN 137 Cb 0.37 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.52 2jgr n ASN 137 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jgr s ALA 139 N -1.91 -1.08 -0.01 5.20 0.00 -0.36 -0.02 121.76 123.57 2jgr s ALA 139 Ca 0.00 1.51 0.06 0.00 0.00 0.00 0.00 51.96 53.53 2jgr s ALA 139 Cb 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 2jgr s ALA 139 CO 0.00 -0.47 -0.18 0.95 0.00 0.00 0.00 175.76 176.06 2jgr s THR 140 N 1.90 1.43 0.00 0.00 -4.23 -0.74 -0.53 115.64 113.49 2jgr s THR 140 Ca -0.06 -0.78 0.04 0.00 -1.18 0.00 0.00 61.69 59.71 2jgr s THR 140 Cb -0.10 -1.19 -0.01 0.00 1.34 0.00 0.00 72.50 72.54 2jgr s THR 140 CO -0.13 0.40 -0.13 -0.83 -0.54 0.00 0.00 174.62 173.40 2jgr s GLY 141 N -0.44 0.64 0.24 3.99 0.00 0.18 -0.38 107.32 111.55 2jgr s GLY 141 Ca 0.07 -0.60 -0.13 0.00 0.00 0.00 0.00 44.72 44.06 2jgr s GLY 141 CO -0.01 -0.53 0.48 -0.32 0.00 0.00 0.00 173.10 172.72 2jgr s GLY 142 N -0.52 0.48 -0.42 0.20 0.00 -0.53 -0.96 107.32 105.56 2jgr s GLY 142 Ca 0.04 -0.82 -0.12 0.00 0.00 0.00 0.00 44.72 43.81 2jgr s GLY 142 CO -0.00 -0.60 0.29 -1.36 0.00 0.00 0.00 173.10 171.43 2jgr s PHE 143 N -4.00 3.28 0.00 1.90 0.40 -1.26 -0.11 117.98 118.19 2jgr s PHE 143 Ca 0.21 -1.15 0.00 0.00 -0.60 0.00 0.00 56.93 55.39 2jgr s PHE 143 Cb -0.01 -2.86 0.00 0.00 0.51 0.00 0.00 43.02 40.66 2jgr s PHE 143 CO 0.08 -0.77 0.00 0.41 0.70 0.00 0.00 175.22 175.64 2jgr n GLY 144 N 5.04 4.54 0.00 4.36 0.00 -1.26 -2.59 105.19 115.27 2jgr n GLY 144 Ca -0.11 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2jgr n GLY 144 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jgr n THR 145 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -5.04 114.28 108.35 2jgr n THR 145 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2jgr n THR 145 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2jgr n THR 145 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2jgr n ILE 166 N -0.15 0.00 0.00 2.28 5.41 -1.26 -5.01 119.36 120.63 2jgr n ILE 166 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2jgr n ILE 166 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2jgr n ILE 166 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 2jgr n HIS 167 N -1.61 0.00 0.31 1.39 8.25 -1.26 -3.26 115.22 119.04 2jgr n HIS 167 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.62 2jgr n HIS 167 Cb 0.00 0.00 0.72 0.00 1.12 0.00 0.00 29.99 31.83 2jgr n HIS 167 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2jgr h GLY 168 N 0.00 0.00 0.00 -1.41 0.00 -2.02 -2.59 103.07 97.05 2jgr h GLY 168 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jgr h GLY 168 CO 0.00 0.00 0.53 1.04 0.00 0.00 0.00 176.54 178.11 2jgr n LEU 169 N -2.74 0.00 -2.62 3.11 4.32 -1.20 -4.64 117.00 113.22 2jgr n LEU 169 Ca 0.00 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 2jgr n LEU 169 Cb 0.21 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 2jgr n LEU 169 CO 0.22 -0.15 0.60 0.54 -1.22 0.00 0.00 177.39 177.38 2jgr n ARG 171 N -1.26 0.00 0.02 3.23 5.12 -0.98 -4.81 116.66 117.99 2jgr n ARG 171 Ca 0.00 -0.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 2jgr n ARG 171 Cb 0.53 -1.59 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 2jgr n ARG 171 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2jgr n ASP 173 N 3.42 -0.39 -4.61 0.55 10.43 -1.26 -5.11 116.55 119.58 2jgr n ASP 173 Ca 0.00 0.12 -0.36 0.00 2.57 0.00 0.00 54.79 57.12 2jgr n ASP 173 Cb 0.00 0.62 -0.10 0.00 1.84 0.00 0.00 41.12 43.47 2jgr n ASP 173 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 2jgr s THR 174 N -2.00 5.03 -0.20 -3.53 -1.32 -1.26 -4.88 115.64 107.48 2jgr s THR 174 Ca 0.00 0.07 -0.00 0.00 -1.21 0.00 0.00 61.69 60.54 2jgr s THR 174 Cb 0.00 -3.34 0.05 0.00 -1.51 0.00 0.00 72.50 67.71 2jgr s THR 174 CO 0.00 0.36 -0.04 -0.22 -2.21 0.00 0.00 174.62 172.51 2jgr s LEU 175 N 1.09 1.94 0.06 9.08 2.96 -1.26 -4.11 118.68 128.44 2jgr s LEU 175 Ca 0.06 -0.92 0.08 0.00 -0.22 0.00 0.00 54.13 53.13 2jgr s LEU 175 Cb -0.14 -0.97 -0.03 0.00 0.50 0.00 0.00 46.19 45.56 2jgr s LEU 175 CO 0.04 -0.23 -0.21 0.00 -1.32 0.00 0.00 176.35 174.63 2jgr s GLN 176 N 1.57 1.32 0.31 1.98 -2.07 -1.07 -5.04 119.66 116.67 2jgr s GLN 176 Ca -0.02 -1.00 -0.28 0.00 -1.82 0.00 0.00 55.36 52.23 2jgr s GLN 176 Cb -0.17 -1.47 -0.09 0.00 -1.09 0.00 0.00 33.01 30.18 2jgr s GLN 176 CO -0.07 0.37 1.04 -1.25 -1.32 0.00 0.00 175.29 174.06 2jgr s PRO 177 N -1.38 4.54 0.08 9.60 0.04 -1.26 -4.24 135.00 142.38 2jgr s PRO 177 Ca 0.07 1.62 -0.22 0.00 0.04 0.00 0.00 61.00 62.52 2jgr s PRO 177 Cb -0.09 -2.99 0.05 0.00 0.04 0.00 0.00 34.50 31.52 2jgr s PRO 177 CO 0.02 0.17 0.52 0.34 0.04 0.00 0.00 177.00 178.10 2jgr s ASP 178 N -1.20 -0.44 0.25 6.66 2.15 -0.89 -4.82 116.67 118.38 2jgr s ASP 178 Ca 0.48 0.06 -0.31 0.00 0.43 0.00 0.00 52.55 53.21 2jgr s ASP 178 Cb -0.27 0.52 -0.12 0.00 -0.30 0.00 0.00 42.92 42.75 2jgr s ASP 178 CO 0.34 -0.80 1.63 -1.14 -0.17 0.00 0.00 175.17 175.03 2jgr n ARG 179 N 0.12 2.64 -3.94 4.34 0.63 -1.26 -2.64 116.66 116.55 2jgr n ARG 179 Ca -0.18 0.95 -0.10 0.00 -0.92 0.00 0.00 57.85 57.60 2jgr n ARG 179 Cb 0.62 -2.74 -0.06 0.00 0.45 0.00 0.00 32.46 30.73 2jgr n ARG 179 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jgr s GLU 181 N -3.97 1.39 -0.01 0.00 2.12 -0.18 -1.53 118.70 116.52 2jgr s GLU 181 Ca 0.18 -0.66 0.02 0.00 0.36 0.00 0.00 54.97 54.87 2jgr s GLU 181 Cb 0.02 -1.36 -0.00 0.00 0.26 0.00 0.00 34.13 33.05 2jgr s GLU 181 CO 0.02 0.37 -0.06 0.42 -0.54 0.00 0.00 175.26 175.47 2jgr s ILE 182 N -0.47 0.48 0.03 -3.70 1.01 0.94 -0.99 121.20 118.51 2jgr s ILE 182 Ca 0.07 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.40 2jgr s ILE 182 Cb -0.07 -0.42 -0.00 0.00 0.01 0.00 0.00 42.46 41.98 2jgr s ILE 182 CO -0.00 0.15 0.16 -0.13 0.00 0.00 0.00 174.94 175.11 2jgr s ARG 183 N -0.01 0.62 0.10 2.79 0.52 0.10 -0.79 118.95 122.28 2jgr s ARG 183 Ca 0.01 -0.61 -0.03 0.00 -0.52 0.00 0.00 55.73 54.57 2jgr s ARG 183 Cb -0.04 0.25 0.01 0.00 0.52 0.00 0.00 34.95 35.70 2jgr s ARG 183 CO -0.00 -0.17 0.19 0.41 0.02 0.00 0.00 175.30 175.75 2jgr n GLY 184 N 0.87 1.91 3.55 -3.53 0.00 -0.39 0.60 105.19 108.21 2jgr n GLY 184 Ca -0.20 -1.13 -0.52 0.00 0.00 0.00 0.00 46.02 44.17 2jgr n GLY 184 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jgr n GLU 185 N -0.14 1.25 -3.80 1.61 1.02 -1.26 -0.63 120.64 118.69 2jgr n GLU 185 Ca -0.02 0.40 -0.30 0.00 -0.02 0.00 0.00 57.16 57.23 2jgr n GLU 185 Cb 0.15 -2.37 -0.00 0.00 -0.02 0.00 0.00 31.44 29.20 2jgr n GLU 185 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2jgr n ASN 186 N 8.06 -3.97 -3.85 1.62 3.02 -1.26 -4.92 115.26 113.96 2jgr n ASN 186 Ca 0.34 -0.71 -0.17 0.00 -0.03 0.00 0.00 54.58 54.02 2jgr n ASN 186 Cb 0.21 -3.23 -0.16 0.00 -0.61 0.00 0.00 39.78 35.99 2jgr n ASN 186 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2jgr s PHE 187 N -3.15 0.38 -0.12 3.10 5.36 0.20 -5.08 117.98 118.67 2jgr s PHE 187 Ca 0.59 -0.04 -0.09 0.00 -0.96 0.00 0.00 56.93 56.44 2jgr s PHE 187 Cb -0.31 -0.41 0.04 0.00 -0.34 0.00 0.00 43.02 42.00 2jgr s PHE 187 CO 0.73 -0.11 0.30 -1.58 -1.46 0.00 0.00 175.22 173.10 2jgr s HIS 188 N 0.80 -0.38 -0.07 10.12 5.65 -1.26 -1.26 115.29 128.89 2jgr s HIS 188 Ca -0.08 0.88 -0.14 0.00 0.25 0.00 0.00 55.06 55.96 2jgr s HIS 188 Cb -0.12 0.12 0.03 0.00 -1.18 0.00 0.00 32.58 31.43 2jgr s HIS 188 CO -0.01 -0.21 0.34 -0.46 -0.65 0.00 0.00 174.74 173.75 2jgr s TRP 189 N 0.72 -0.29 -0.03 3.88 -0.00 0.03 -4.98 118.94 118.26 2jgr s TRP 189 Ca -0.05 0.61 0.00 0.00 -0.00 0.00 0.00 56.10 56.67 2jgr s TRP 189 Cb -0.06 0.12 0.03 0.00 -0.00 0.00 0.00 33.47 33.56 2jgr s TRP 189 CO -0.05 -0.30 0.01 -1.14 -0.00 0.00 0.00 176.95 175.48 2jgr s GLN 190 N -0.61 0.19 0.00 5.86 0.74 -1.26 -0.04 119.66 124.54 2jgr s GLN 190 Ca -0.07 0.13 0.00 0.00 0.05 0.00 0.00 55.36 55.47 2jgr s GLN 190 Cb -0.04 -0.44 0.00 0.00 1.10 0.00 0.00 33.01 33.64 2jgr s GLN 190 CO 0.03 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 175.01 2jgr n GLY 191 N 4.27 -1.23 3.88 2.59 0.00 -0.58 -5.02 105.19 109.10 2jgr n GLY 191 Ca -0.25 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 2jgr n GLY 191 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jgr s ASP 192 N -3.01 6.49 -0.05 1.61 -0.00 -1.26 -1.38 116.67 119.06 2jgr s ASP 192 Ca 0.00 1.03 -0.18 0.00 -0.00 0.00 0.00 52.55 53.41 2jgr s ASP 192 Cb 0.00 -2.28 0.03 0.00 -0.00 0.00 0.00 42.92 40.67 2jgr s ASP 192 CO 0.00 -0.37 0.40 0.00 -0.00 0.00 0.00 175.17 175.20 2jgr s ALA 193 N -2.34 -1.01 -0.24 5.23 0.00 -1.08 -4.60 121.76 117.73 2jgr s ALA 193 Ca 0.49 0.68 -0.06 0.00 0.00 0.00 0.00 51.96 53.08 2jgr s ALA 193 Cb -0.10 -0.11 -0.12 0.00 0.00 0.00 0.00 23.12 22.78 2jgr s ALA 193 CO 0.32 -0.27 -0.26 -0.11 0.00 0.00 0.00 175.76 175.44 2jgr n LEU 194 N 1.56 2.28 -3.97 0.00 7.94 0.34 -2.09 117.00 123.05 2jgr n LEU 194 Ca -0.19 0.11 -0.15 0.00 -1.11 0.00 0.00 56.01 54.67 2jgr n LEU 194 Cb 0.56 -0.75 -0.14 0.00 0.53 0.00 0.00 43.42 43.62 2jgr n LEU 194 CO 0.20 0.68 -0.40 -0.69 -1.11 0.00 0.00 177.39 176.07 2jgr s VAL 195 N -2.45 0.41 -0.17 1.96 1.01 -1.01 -4.38 120.40 115.76 2jgr s VAL 195 Ca -0.33 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.31 2jgr s VAL 195 Cb 0.11 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 36.13 2jgr s VAL 195 CO 0.47 0.03 -0.19 -0.63 0.00 0.00 0.00 175.10 174.77 2jgr s ILE 196 N -0.33 2.00 -0.20 2.22 1.01 -0.14 -0.14 121.20 125.63 2jgr s ILE 196 Ca -0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 2jgr s ILE 196 Cb -0.03 -1.81 -0.00 0.00 0.01 0.00 0.00 42.46 40.63 2jgr s ILE 196 CO -0.00 0.53 -0.09 -0.83 0.00 0.00 0.00 174.94 174.55 2jgr s GLY 197 N 1.28 1.55 -0.26 6.18 0.00 -0.73 0.48 107.32 115.82 2jgr s GLY 197 Ca 0.04 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.65 2jgr s GLY 197 CO -0.12 0.29 -0.09 -0.42 0.00 0.00 0.00 173.10 172.76 2jgr s ILE 198 N 1.24 2.40 -0.08 0.90 1.01 0.31 -0.03 121.20 126.95 2jgr s ILE 198 Ca 0.03 -1.45 -0.01 0.00 0.00 0.00 0.00 60.65 59.22 2jgr s ILE 198 Cb -0.14 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 2jgr s ILE 198 CO -0.04 0.04 -0.04 -0.83 0.00 0.00 0.00 174.94 174.07 2jgr s GLY 199 N 1.17 1.77 -0.01 6.18 0.00 0.15 -1.22 107.32 115.36 2jgr s GLY 199 Ca -0.06 -0.85 -0.01 0.00 0.00 0.00 0.00 44.72 43.80 2jgr s GLY 199 CO -0.05 -0.59 0.81 -0.57 0.00 0.00 0.00 173.10 172.70 2jgr h ASN 200 N 5.28 0.33 -3.15 1.64 -1.24 -1.11 -2.75 115.58 114.58 2jgr h ASN 200 Ca -0.49 -0.49 0.00 0.00 0.71 0.00 0.00 56.30 56.03 2jgr h ASN 200 Cb 1.18 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.12 2jgr h ASN 200 CO 0.54 1.42 0.00 0.61 -1.29 0.00 0.00 177.43 178.70 2jgr n GLY 201 N 1.67 3.38 0.13 1.57 0.00 0.96 -4.06 105.19 108.85 2jgr n GLY 201 Ca -0.17 -2.15 -0.22 0.00 0.00 0.00 0.00 46.02 43.49 2jgr n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jgr n ARG 202 N -0.41 0.65 -4.88 1.61 1.74 -1.26 -4.63 116.66 109.48 2jgr n ARG 202 Ca 0.00 0.23 -0.27 0.00 -0.77 0.00 0.00 57.85 57.05 2jgr n ARG 202 Cb 0.00 -1.57 -0.16 0.00 -1.02 0.00 0.00 32.46 29.71 2jgr n ARG 202 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2jgr s GLN 203 N -2.51 1.88 0.39 5.56 -2.07 -1.26 -0.95 119.66 120.70 2jgr s GLN 203 Ca -0.33 -0.64 0.03 0.00 -1.82 0.00 0.00 55.36 52.61 2jgr s GLN 203 Cb 0.09 -1.62 -0.01 0.00 -1.09 0.00 0.00 33.01 30.38 2jgr s GLN 203 CO 0.61 0.25 0.57 0.00 -1.32 0.00 0.00 175.29 175.40 2jgr s ALA 204 N 0.05 3.95 0.00 2.60 0.00 -1.19 -4.71 121.76 122.45 2jgr s ALA 204 Ca -0.05 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2jgr s ALA 204 Cb -0.12 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.06 2jgr s ALA 204 CO 0.03 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.01 2jgr n GLY 205 N -1.86 0.00 0.82 0.00 0.00 -1.26 0.46 105.19 103.36 2jgr n GLY 205 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jgr n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgr n GLY 206 N 0.00 1.93 0.00 -0.02 0.00 -1.26 -4.58 105.19 101.26 2jgr n GLY 206 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2jgr n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgr n GLY 207 N 0.00 0.88 3.32 -0.02 0.00 0.17 -5.01 105.19 104.54 2jgr n GLY 207 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2jgr n GLY 207 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jgr s GLN 208 N 0.00 2.73 -0.47 1.61 0.00 -1.23 -4.93 119.66 117.37 2jgr s GLN 208 Ca 0.00 -0.82 -0.37 0.00 -0.00 0.00 0.00 55.36 54.16 2jgr s GLN 208 Cb 0.00 -2.30 -0.15 0.00 0.00 0.00 0.00 33.01 30.57 2jgr s GLN 208 CO 0.00 0.38 2.24 1.04 0.00 0.00 0.00 175.29 178.95 2jgr n GLN 209 N 2.97 0.63 0.02 9.60 1.13 -1.26 -3.19 117.38 127.29 2jgr n GLN 209 Ca -0.18 0.16 -0.22 0.00 -1.94 0.00 0.00 57.00 54.82 2jgr n GLN 209 Cb 0.52 -2.12 -0.14 0.00 0.11 0.00 0.00 30.24 28.61 2jgr n GLN 209 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2jgr h LEU 210 N 11.67 0.47 -6.71 1.08 4.07 -1.41 -3.43 115.31 121.04 2jgr h LEU 210 Ca -0.19 -0.93 -0.61 0.00 0.08 0.00 0.00 57.88 56.23 2jgr h LEU 210 Cb 1.35 -0.15 -0.41 0.00 1.08 0.00 0.00 40.66 42.52 2jgr h LEU 210 CO 1.08 1.80 -0.65 0.00 -1.08 0.00 0.00 178.44 179.60 2jgr n PRO 212 N 1.74 0.04 -0.13 0.00 -0.04 -1.26 -1.56 135.00 133.78 2jgr n PRO 212 Ca 0.24 0.50 0.04 0.00 -0.04 0.00 0.00 63.50 64.23 2jgr n PRO 212 Cb 0.39 -1.61 0.11 0.00 -0.04 0.00 0.00 33.50 32.35 2jgr n PRO 212 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2jgr n ASN 213 N -1.69 2.67 -4.55 3.54 2.04 -1.26 -5.00 115.26 111.00 2jgr n ASN 213 Ca 0.00 -2.02 -0.41 0.00 -0.44 0.00 0.00 54.58 51.72 2jgr n ASN 213 Cb 0.04 -0.17 0.02 0.00 -2.53 0.00 0.00 39.78 37.13 2jgr n ASN 213 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2jgr n ALA 214 N 0.20 -0.42 -2.71 -2.53 0.00 -0.60 -5.03 120.51 109.42 2jgr n ALA 214 Ca 0.08 0.18 -0.18 0.00 0.00 0.00 0.00 53.44 53.52 2jgr n ALA 214 Cb 0.38 -1.97 -0.13 0.00 0.00 0.00 0.00 19.45 17.73 2jgr n ALA 214 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jgr s LEU 215 N 0.10 2.16 0.00 0.00 1.43 -1.26 -4.83 118.68 116.27 2jgr s LEU 215 Ca 0.65 -0.41 0.11 0.00 -1.03 0.00 0.00 54.13 53.45 2jgr s LEU 215 Cb -0.55 -0.46 0.35 0.00 0.03 0.00 0.00 46.19 45.55 2jgr s LEU 215 CO 0.56 -0.01 1.28 2.30 0.23 0.00 0.00 176.35 180.71 2jgr n ILE 216 N 2.01 0.39 -2.27 -0.59 -5.35 0.91 -3.85 119.36 110.61 2jgr n ILE 216 Ca -0.18 -0.40 0.01 0.00 -0.27 0.00 0.00 62.75 61.91 2jgr n ILE 216 Cb 0.55 0.22 0.08 0.00 -1.74 0.00 0.00 39.64 38.75 2jgr n ILE 216 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2jgr n ASN 217 N 0.39 1.63 -0.69 7.28 6.94 -1.26 -1.04 115.26 128.51 2jgr n ASN 217 Ca 0.11 -2.67 0.09 0.00 -0.02 0.00 0.00 54.58 52.09 2jgr n ASN 217 Cb 0.27 -0.39 0.07 0.00 -2.36 0.00 0.00 39.78 37.37 2jgr n ASN 217 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2jgr n ASP 218 N -0.22 2.43 -0.58 0.53 3.85 -1.25 -4.81 116.55 116.50 2jgr n ASP 218 Ca 0.13 -1.71 -0.08 0.00 -0.71 0.00 0.00 54.79 52.42 2jgr n ASP 218 Cb 0.95 -0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.69 2jgr n ASP 218 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2jgr n GLY 219 N 0.96 0.89 3.38 6.12 0.00 -1.26 -5.01 105.19 110.27 2jgr n GLY 219 Ca 0.10 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 2jgr n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jgr s LEU 220 N -1.73 2.37 0.34 0.99 1.43 -1.26 -4.11 118.68 116.71 2jgr s LEU 220 Ca 0.00 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.55 2jgr s LEU 220 Cb 0.00 -1.45 -0.10 0.00 0.03 0.00 0.00 46.19 44.68 2jgr s LEU 220 CO 0.00 0.32 0.84 -0.76 0.23 0.00 0.00 176.35 176.98 2jgr s LEU 221 N -0.57 4.12 -0.11 1.79 1.43 0.20 -4.82 118.68 120.72 2jgr s LEU 221 Ca 0.08 1.53 -0.15 0.00 -1.03 0.00 0.00 54.13 54.57 2jgr s LEU 221 Cb -0.11 -4.13 -0.05 0.00 0.03 0.00 0.00 46.19 41.94 2jgr s LEU 221 CO 0.00 -0.19 0.37 -1.10 0.23 0.00 0.00 176.35 175.67 2jgr s GLN 222 N -2.70 4.17 -0.11 1.70 -1.52 -1.04 -0.37 119.66 119.79 2jgr s GLN 222 Ca 0.54 0.27 0.01 0.00 -1.95 0.00 0.00 55.36 54.23 2jgr s GLN 222 Cb -0.12 -3.37 -0.02 0.00 -0.22 0.00 0.00 33.01 29.28 2jgr s GLN 222 CO 0.18 0.34 -0.13 -1.17 -0.25 0.00 0.00 175.29 174.26 2jgr s LEU 223 N 0.09 2.74 -0.14 2.90 2.96 0.29 -0.67 118.68 126.84 2jgr s LEU 223 Ca 0.21 -0.28 -0.00 0.00 -0.22 0.00 0.00 54.13 53.83 2jgr s LEU 223 Cb -0.14 -1.60 0.03 0.00 0.50 0.00 0.00 46.19 44.97 2jgr s LEU 223 CO 0.08 0.22 -0.09 -0.13 -1.32 0.00 0.00 176.35 175.10 2jgr s ARG 224 N 0.05 1.76 -0.26 1.98 3.00 0.95 -1.79 118.95 124.64 2jgr s ARG 224 Ca -0.05 -0.43 -0.09 0.00 0.00 0.00 0.00 55.73 55.16 2jgr s ARG 224 Cb -0.14 -1.87 -0.04 0.00 0.00 0.00 0.00 34.95 32.89 2jgr s ARG 224 CO 0.04 -0.30 0.13 0.42 0.00 0.00 0.00 175.30 175.59 2jgr s ILE 225 N 1.61 4.90 -0.50 1.52 1.01 0.53 -1.78 121.20 128.50 2jgr s ILE 225 Ca 0.04 0.03 -0.19 0.00 0.00 0.00 0.00 60.65 60.52 2jgr s ILE 225 Cb -0.13 -3.31 0.05 0.00 0.01 0.00 0.00 42.46 39.08 2jgr s ILE 225 CO -0.09 0.30 0.64 -0.36 0.00 0.00 0.00 174.94 175.43 2jgr s PHE 226 N 1.58 3.04 0.23 3.97 0.40 0.81 -1.81 117.98 126.19 2jgr s PHE 226 Ca 0.07 -0.45 -0.15 0.00 -0.60 0.00 0.00 56.93 55.79 2jgr s PHE 226 Cb -0.15 -3.52 -0.08 0.00 0.51 0.00 0.00 43.02 39.78 2jgr s PHE 226 CO 0.07 -1.02 0.64 0.99 0.70 0.00 0.00 175.22 176.60 2jgr s THR 227 N 2.70 4.75 0.00 0.64 2.01 -0.65 0.13 115.64 125.22 2jgr s THR 227 Ca 0.17 0.91 0.00 0.00 0.31 0.00 0.00 61.69 63.07 2jgr s THR 227 Cb -0.18 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.62 2jgr s THR 227 CO 0.13 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 2jgr n GLY 228 N 0.31 1.52 0.00 4.40 0.00 -1.26 -4.85 105.19 105.31 2jgr n GLY 228 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2jgr n GLY 228 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jgr n ASP 229 N 5.47 0.00 0.00 1.61 8.00 -1.26 -4.73 116.55 125.64 2jgr n ASP 229 Ca 0.00 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.50 2jgr n ASP 229 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2jgr n ASP 229 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2jgr n ASN 245 N 0.00 0.00 0.26 -2.24 4.05 -1.26 -5.13 115.26 110.93 2jgr n ASN 245 Ca 0.00 0.00 0.14 0.00 0.45 0.00 0.00 54.58 55.17 2jgr n ASN 245 Cb 0.43 0.00 0.58 0.00 1.23 0.00 0.00 39.78 42.02 2jgr n ASN 245 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2jgr h PRO 246 N 0.00 0.00 0.00 1.20 0.13 -2.03 -3.14 132.00 128.16 2jgr h PRO 246 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2jgr h PRO 246 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2jgr h PRO 246 CO 0.00 0.08 0.00 0.09 -0.23 0.00 0.00 178.00 177.94 2jgr n ASN 247 N -3.20 0.11 -3.93 1.44 4.13 -1.26 -4.67 115.26 107.89 2jgr n ASN 247 Ca 0.01 0.52 -0.21 0.00 1.68 0.00 0.00 54.58 56.58 2jgr n ASN 247 Cb 0.36 -0.55 -0.16 0.00 -1.54 0.00 0.00 39.78 37.89 2jgr n ASN 247 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2jgr s ILE 248 N -3.05 0.66 0.01 2.41 1.01 -1.19 -1.64 121.20 119.41 2jgr s ILE 248 Ca 0.08 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.55 2jgr s ILE 248 Cb 0.11 -0.65 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 2jgr s ILE 248 CO 0.32 0.25 -0.08 -0.63 0.00 0.00 0.00 174.94 174.80 2jgr s ILE 249 N 0.78 3.56 0.11 2.92 1.09 -0.75 -4.87 121.20 124.03 2jgr s ILE 249 Ca -0.12 -0.81 0.05 0.00 -1.10 0.00 0.00 60.65 58.67 2jgr s ILE 249 Cb -0.14 -2.54 -0.04 0.00 -1.06 0.00 0.00 42.46 38.68 2jgr s ILE 249 CO 0.01 0.39 -0.12 -1.61 -0.10 0.00 0.00 174.94 173.51 2jgr s GLU 250 N -1.41 0.92 0.03 2.79 2.02 -1.26 -0.34 118.70 121.45 2jgr s GLU 250 Ca 0.17 -1.19 -0.29 0.00 0.02 0.00 0.00 54.97 53.68 2jgr s GLU 250 Cb -0.11 -0.70 0.10 0.00 0.10 0.00 0.00 34.13 33.52 2jgr s GLU 250 CO 0.07 0.12 1.13 0.20 0.02 0.00 0.00 175.26 176.80 2jgr s GLY 251 N -2.43 -0.34 -0.21 -1.39 0.00 -0.74 -4.96 107.32 97.25 2jgr s GLY 251 Ca 0.07 0.61 -0.07 0.00 0.00 0.00 0.00 44.72 45.33 2jgr s GLY 251 CO 0.01 0.14 0.44 0.00 0.00 0.00 0.00 173.10 173.70 2jgr s ALA 252 N -2.79 -1.25 -0.09 3.20 0.00 -1.26 0.10 121.76 119.67 2jgr s ALA 252 Ca 0.12 1.59 -0.31 0.00 0.00 0.00 0.00 51.96 53.36 2jgr s ALA 252 Cb 0.02 -1.38 0.09 0.00 0.00 0.00 0.00 23.12 21.84 2jgr s ALA 252 CO -0.02 -0.78 0.77 0.45 0.00 0.00 0.00 175.76 176.17 2jgr s SER 253 N 2.64 -0.58 0.00 0.00 0.15 0.50 -4.81 113.70 111.61 2jgr s SER 253 Ca -0.02 0.66 0.15 0.00 0.70 0.00 0.00 55.95 57.44 2jgr s SER 253 Cb -0.12 0.51 0.65 0.00 -1.71 0.00 0.00 66.02 65.34 2jgr s SER 253 CO -0.13 -0.52 1.47 -1.54 1.20 0.00 0.00 173.24 173.72 2jgr n SER 254 N 0.93 0.00 -3.70 5.45 3.41 -1.26 0.58 113.62 119.03 2jgr n SER 254 Ca -0.16 0.46 -0.14 0.00 -0.26 0.00 0.00 58.87 58.76 2jgr n SER 254 Cb 0.57 -0.48 -0.08 0.00 -0.26 0.00 0.00 64.21 63.96 2jgr n SER 254 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 2jgr s TRP 255 N -2.96 -0.33 -0.02 7.33 1.48 -1.26 -1.15 118.94 122.02 2jgr s TRP 255 Ca 0.08 0.58 0.01 0.00 -1.06 0.00 0.00 56.10 55.70 2jgr s TRP 255 Cb 0.10 0.18 0.02 0.00 -1.16 0.00 0.00 33.47 32.61 2jgr s TRP 255 CO 0.27 -0.43 -0.01 -0.06 -4.06 0.00 0.00 176.95 172.66 2jgr s PHE 256 N -1.13 0.30 -0.07 1.66 0.08 0.24 -4.25 117.98 114.82 2jgr s PHE 256 Ca -0.12 -0.01 -0.10 0.00 0.12 0.00 0.00 56.93 56.82 2jgr s PHE 256 Cb -0.04 -0.35 -0.05 0.00 -0.57 0.00 0.00 43.02 42.02 2jgr s PHE 256 CO 0.05 -0.10 0.26 -0.51 -0.10 0.00 0.00 175.22 174.82 2jgr s ASP 257 N 0.74 6.57 -0.08 1.36 1.01 0.20 -0.96 116.67 125.51 2jgr s ASP 257 Ca -0.07 0.68 0.02 0.00 0.71 0.00 0.00 52.55 53.89 2jgr s ASP 257 Cb -0.11 -2.15 0.01 0.00 1.01 0.00 0.00 42.92 41.69 2jgr s ASP 257 CO -0.01 0.37 -0.14 -0.63 0.21 0.00 0.00 175.17 174.97 2jgr s ILE 258 N -1.03 1.30 0.05 0.77 1.01 0.26 0.01 121.20 123.57 2jgr s ILE 258 Ca 0.19 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.31 2jgr s ILE 258 Cb -0.14 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 2jgr s ILE 258 CO 0.08 0.39 -0.11 0.00 0.00 0.00 0.00 174.94 175.30 2jgr s GLN 259 N 0.70 0.71 -0.10 2.79 -2.07 -0.16 -1.14 119.66 120.40 2jgr s GLN 259 Ca -0.14 -0.80 -0.12 0.00 -1.82 0.00 0.00 55.36 52.49 2jgr s GLN 259 Cb -0.16 -0.63 0.03 0.00 -1.09 0.00 0.00 33.01 31.16 2jgr s GLN 259 CO 0.03 0.14 0.31 0.00 -1.32 0.00 0.00 175.29 174.46 2jgr s ALA 260 N -1.16 -0.78 0.31 2.60 0.00 -0.90 -1.01 121.76 120.83 2jgr s ALA 260 Ca -0.04 0.76 0.19 0.00 0.00 0.00 0.00 51.96 52.87 2jgr s ALA 260 Cb -0.09 -0.39 0.90 0.00 0.00 0.00 0.00 23.12 23.54 2jgr s ALA 260 CO 0.01 -0.17 1.86 -1.35 0.00 0.00 0.00 175.76 176.11 2jgr h PRO 261 N 5.27 0.00 -6.20 0.00 0.11 -1.89 -3.42 132.00 125.87 2jgr h PRO 261 Ca -0.27 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.30 2jgr h PRO 261 Cb 1.19 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 2jgr h PRO 261 CO 0.33 0.30 -0.61 -1.01 -0.21 0.00 0.00 178.00 176.80 2jgr s HIS 262 N -3.98 2.82 0.34 0.65 3.76 -1.26 -5.01 115.29 112.61 2jgr s HIS 262 Ca -0.02 -0.19 -0.29 0.00 -0.15 0.00 0.00 55.06 54.41 2jgr s HIS 262 Cb 0.13 -1.26 -0.11 0.00 1.11 0.00 0.00 32.58 32.45 2jgr s HIS 262 CO 0.67 0.59 1.53 -0.25 -0.85 0.00 0.00 174.74 176.43 2jgr n ASP 263 N -0.98 3.77 -4.87 1.40 9.92 -1.26 -4.69 116.55 119.84 2jgr n ASP 263 Ca -0.07 1.19 -0.35 0.00 -0.53 0.00 0.00 54.79 55.04 2jgr n ASP 263 Cb 0.59 -1.60 -0.06 0.00 -0.64 0.00 0.00 41.12 39.41 2jgr n ASP 263 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2jgr s ILE 264 N -0.61 5.31 -0.41 0.53 1.01 0.21 -4.70 121.20 122.54 2jgr s ILE 264 Ca 0.58 -0.08 -0.06 0.00 0.00 0.00 0.00 60.65 61.09 2jgr s ILE 264 Cb -0.49 -3.41 0.09 0.00 0.01 0.00 0.00 42.46 38.66 2jgr s ILE 264 CO 0.57 0.44 0.23 -0.89 0.00 0.00 0.00 174.94 175.29 2jgr s THR 265 N -1.19 3.77 -0.07 2.92 2.01 0.85 -1.98 115.64 121.94 2jgr s THR 265 Ca 0.22 -1.70 -0.21 0.00 0.31 0.00 0.00 61.69 60.30 2jgr s THR 265 Cb -0.12 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 2jgr s THR 265 CO 0.13 -0.58 0.61 -0.36 -0.69 0.00 0.00 174.62 173.73 2jgr s PHE 266 N 1.30 3.57 -0.38 4.92 0.08 -0.39 -1.45 117.98 125.63 2jgr s PHE 266 Ca 0.05 1.12 -0.15 0.00 0.12 0.00 0.00 56.93 58.07 2jgr s PHE 266 Cb -0.23 -2.70 0.00 0.00 -0.57 0.00 0.00 43.02 39.53 2jgr s PHE 266 CO -0.01 0.15 0.32 1.21 -0.10 0.00 0.00 175.22 176.79 2jgr s ASN 267 N 0.61 6.12 -0.66 1.36 2.47 0.48 -1.54 114.94 123.79 2jgr s ASN 267 Ca 0.33 -0.61 -0.09 0.00 0.42 0.00 0.00 52.86 52.91 2jgr s ASN 267 Cb -0.17 -2.17 0.17 0.00 -1.45 0.00 0.00 41.25 37.63 2jgr s ASN 267 CO 0.15 -0.39 0.54 -0.76 -3.72 0.00 0.00 177.10 172.92 2jgr s LEU 268 N 1.83 5.94 -1.10 3.21 1.43 0.13 -1.79 118.68 128.34 2jgr s LEU 268 Ca 0.08 -2.52 -0.22 0.00 -1.03 0.00 0.00 54.13 50.45 2jgr s LEU 268 Cb -0.18 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.01 2jgr s LEU 268 CO 0.11 -0.55 0.74 0.47 0.23 0.00 0.00 176.35 177.35 2jgr n ASP 269 N 4.09 -5.07 0.00 2.29 8.00 -1.26 -1.67 116.55 122.93 2jgr n ASP 269 Ca 0.05 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.51 2jgr n ASP 269 Cb 0.42 -2.77 0.00 0.00 -0.02 0.00 0.00 41.12 38.75 2jgr n ASP 269 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jgr n GLY 270 N -1.81 1.40 3.69 0.44 0.00 -1.26 -4.17 105.19 103.48 2jgr n GLY 270 Ca -0.12 -0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.38 2jgr n GLY 270 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jgr n GLU 271 N 0.00 1.80 -2.76 1.61 4.07 -0.67 -4.94 120.64 119.75 2jgr n GLU 271 Ca 0.00 0.66 -0.35 0.00 -0.06 0.00 0.00 57.16 57.41 2jgr n GLU 271 Cb 0.00 -2.44 -0.06 0.00 -0.06 0.00 0.00 31.44 28.88 2jgr n GLU 271 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2jgr s PRO 272 N 3.64 4.33 -0.13 5.31 0.04 -1.26 0.20 135.00 147.12 2jgr s PRO 272 Ca 0.94 1.25 -0.06 0.00 0.04 0.00 0.00 61.00 63.17 2jgr s PRO 272 Cb -0.83 -2.44 0.06 0.00 0.04 0.00 0.00 34.50 31.32 2jgr s PRO 272 CO 0.56 0.05 0.31 -1.17 0.04 0.00 0.00 177.00 176.78 2jgr s LEU 273 N -2.72 0.10 0.18 -3.56 2.96 -0.59 -4.95 118.68 110.09 2jgr s LEU 273 Ca 0.57 0.67 0.11 0.00 -0.22 0.00 0.00 54.13 55.27 2jgr s LEU 273 Cb -0.14 0.95 -0.04 0.00 0.50 0.00 0.00 46.19 47.45 2jgr s LEU 273 CO 0.19 -0.19 -0.24 -0.44 -1.32 0.00 0.00 176.35 174.35 2jgr s SER 274 N 1.55 3.47 0.00 3.68 0.01 -1.26 -1.26 113.70 119.89 2jgr s SER 274 Ca -0.07 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.37 2jgr s SER 274 Cb -0.10 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.85 2jgr s SER 274 CO -0.10 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2jgr n GLY 275 N 0.40 -0.60 0.62 3.44 0.00 -0.84 -4.93 105.19 103.27 2jgr n GLY 275 Ca -0.14 -1.27 0.09 0.00 0.00 0.00 0.00 46.02 44.71 2jgr n GLY 275 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jgr n GLN 276 N -0.89 1.60 -3.68 1.61 6.02 -1.26 0.66 117.38 121.44 2jgr n GLN 276 Ca 0.00 -1.32 -0.23 0.00 -0.01 0.00 0.00 57.00 55.44 2jgr n GLN 276 Cb 0.00 -1.35 -0.17 0.00 1.02 0.00 0.00 30.24 29.73 2jgr n GLN 276 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2jgr s ASN 277 N -1.77 1.75 -0.11 1.08 -0.87 -1.26 -2.11 114.94 111.65 2jgr s ASN 277 Ca 0.19 -0.24 0.04 0.00 -1.57 0.00 0.00 52.86 51.28 2jgr s ASN 277 Cb 0.15 -0.27 0.00 0.00 -0.02 0.00 0.00 41.25 41.11 2jgr s ASN 277 CO 0.32 -0.27 -0.23 -0.36 -2.57 0.00 0.00 177.10 173.99 2jgr s PHE 278 N 2.09 2.55 -0.34 2.20 0.40 -0.29 -4.98 117.98 119.62 2jgr s PHE 278 Ca 0.04 -1.11 -0.06 0.00 -0.60 0.00 0.00 56.93 55.20 2jgr s PHE 278 Cb -0.14 -1.72 0.04 0.00 0.51 0.00 0.00 43.02 41.72 2jgr s PHE 278 CO -0.06 -0.46 0.11 -1.58 0.70 0.00 0.00 175.22 173.94 2jgr s HIS 279 N 0.46 3.26 -0.26 0.36 5.65 -1.26 0.93 115.29 124.43 2jgr s HIS 279 Ca -0.16 -1.44 -0.09 0.00 0.25 0.00 0.00 55.06 53.62 2jgr s HIS 279 Cb -0.17 -2.32 -0.04 0.00 -1.18 0.00 0.00 32.58 28.86 2jgr s HIS 279 CO 0.06 -0.74 0.12 0.42 -0.65 0.00 0.00 174.74 173.95 2jgr s ILE 280 N 1.40 4.76 -0.02 0.89 1.01 -0.14 -0.49 121.20 128.61 2jgr s ILE 280 Ca -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.66 2jgr s ILE 280 Cb -0.20 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 2jgr s ILE 280 CO 0.03 0.31 -0.13 -0.70 0.00 0.00 0.00 174.94 174.45 2jgr s GLU 281 N 1.59 1.17 0.25 2.79 2.12 -0.29 -0.59 118.70 125.74 2jgr s GLU 281 Ca 0.06 -0.47 -0.30 0.00 0.36 0.00 0.00 54.97 54.63 2jgr s GLU 281 Cb -0.15 -1.10 -0.09 0.00 0.26 0.00 0.00 34.13 33.05 2jgr s GLU 281 CO 0.06 0.25 1.08 0.42 -0.54 0.00 0.00 175.26 176.54 2jgr s ILE 282 N -0.17 3.66 -0.59 -3.70 1.01 -0.30 -0.89 121.20 120.21 2jgr s ILE 282 Ca 0.02 1.60 -0.15 0.00 0.00 0.00 0.00 60.65 62.13 2jgr s ILE 282 Cb -0.07 -4.02 0.15 0.00 0.01 0.00 0.00 42.46 38.53 2jgr s ILE 282 CO 0.00 0.35 0.54 -0.76 0.00 0.00 0.00 174.94 175.07 2jgr s LEU 283 N -1.12 6.24 0.13 2.97 1.43 -1.26 -4.93 118.68 122.14 2jgr s LEU 283 Ca 0.45 -2.01 -0.30 0.00 -1.03 0.00 0.00 54.13 51.24 2jgr s LEU 283 Cb -0.31 -2.18 -0.07 0.00 0.03 0.00 0.00 46.19 43.66 2jgr s LEU 283 CO 0.38 -0.78 1.19 -2.16 0.23 0.00 0.00 176.35 175.22 2jgr s PRO 284 N 1.25 4.47 -1.35 1.29 0.04 -1.26 -3.29 135.00 136.16 2jgr s PRO 284 Ca 0.07 1.82 -0.08 0.00 0.04 0.00 0.00 61.00 62.84 2jgr s PRO 284 Cb -0.25 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.01 2jgr s PRO 284 CO 0.00 -0.16 1.15 0.00 0.04 0.00 0.00 177.00 178.04 2jgr n ALA 285 N 3.18 -1.41 0.07 8.56 0.00 -1.17 -4.90 120.51 124.84 2jgr n ALA 285 Ca 0.06 0.33 -0.06 0.00 0.00 0.00 0.00 53.44 53.78 2jgr n ALA 285 Cb 0.45 -5.07 -0.07 0.00 0.00 0.00 0.00 19.45 14.77 2jgr n ALA 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jgr h ALA 286 N 1.00 0.45 -2.60 0.00 0.00 -0.87 -3.43 119.26 113.80 2jgr h ALA 286 Ca -0.57 -0.85 -0.19 0.00 0.00 0.00 0.00 54.91 53.29 2jgr h ALA 286 Cb 1.37 -0.15 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 2jgr h ALA 286 CO 0.56 1.17 -0.53 -0.48 0.00 0.00 0.00 179.25 179.97 2jgr s LEU 287 N -6.85 1.12 -0.13 0.00 2.34 -1.15 -4.69 118.68 109.32 2jgr s LEU 287 Ca 0.01 -1.26 -0.02 0.00 0.06 0.00 0.00 54.13 52.92 2jgr s LEU 287 Cb 0.10 0.62 -0.03 0.00 -0.56 0.00 0.00 46.19 46.33 2jgr s LEU 287 CO 0.81 -0.87 -0.06 -0.13 -1.06 0.00 0.00 176.35 175.04 2jgr s ARG 288 N -4.11 3.41 -0.02 1.48 0.52 -1.26 0.33 118.95 119.30 2jgr s ARG 288 Ca 0.33 -0.56 0.06 0.00 -0.52 0.00 0.00 55.73 55.04 2jgr s ARG 288 Cb 0.06 -2.79 -0.02 0.00 0.52 0.00 0.00 34.95 32.73 2jgr s ARG 288 CO 0.09 0.33 -0.21 0.00 0.02 0.00 0.00 175.30 175.53 2jgr s ARG 290 N -0.44 3.87 0.12 0.00 0.52 -0.33 0.46 118.95 123.15 2jgr s ARG 290 Ca 0.07 0.81 0.08 0.00 -0.52 0.00 0.00 55.73 56.17 2jgr s ARG 290 Cb -0.09 -3.84 -0.04 0.00 0.52 0.00 0.00 34.95 31.51 2jgr s ARG 290 CO -0.00 -1.18 -0.20 -0.51 0.02 0.00 0.00 175.30 173.43 2jgr s LEU 291 N 4.15 2.34 0.64 2.53 1.43 -1.12 -4.71 118.68 123.94 2jgr s LEU 291 Ca 0.47 -0.73 -0.15 0.00 -1.03 0.00 0.00 54.13 52.69 2jgr s LEU 291 Cb -0.10 -0.85 -0.01 0.00 0.03 0.00 0.00 46.19 45.27 2jgr s LEU 291 CO 0.25 0.02 1.08 -2.16 0.23 0.00 0.00 176.35 175.77 2jgr s PRO 292 N -2.16 3.00 0.24 1.29 0.04 -1.26 -4.37 135.00 131.79 2jgr s PRO 292 Ca 0.09 1.25 -0.04 0.00 0.04 0.00 0.00 61.00 62.34 2jgr s PRO 292 Cb -0.09 -1.99 0.44 0.00 0.04 0.00 0.00 34.50 32.91 2jgr s PRO 292 CO 0.05 -1.07 1.76 -1.00 0.04 0.00 0.00 177.00 176.78 2jgr h PRO 293 N 0.06 0.57 -0.28 0.56 0.13 -1.96 -2.25 132.00 128.84 2jgr h PRO 293 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2jgr h PRO 293 Cb 1.23 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2jgr h PRO 293 CO 0.56 0.38 0.00 -0.25 -0.23 0.00 0.00 178.00 178.45 2jgr n ASP 294 N -4.89 1.35 -3.05 1.44 8.00 -1.26 -4.98 116.55 113.16 2jgr n ASP 294 Ca 0.14 -2.02 -0.43 0.00 0.71 0.00 0.00 54.79 53.19 2jgr n ASP 294 Cb 0.36 -0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 2jgr n ASP 294 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jgr h PRO 296 N 3.05 0.00 -0.36 0.00 0.11 -1.79 -2.89 132.00 130.12 2jgr h PRO 296 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2jgr h PRO 296 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2jgr h PRO 296 CO 0.60 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.67 2jgr n LEU 297 N -2.62 3.63 -4.71 2.35 4.77 -1.26 -4.94 117.00 114.22 2jgr n LEU 297 Ca -0.02 -2.50 -0.35 0.00 -0.03 0.00 0.00 56.01 53.11 2jgr n LEU 297 Cb 0.23 -0.42 -0.09 0.00 -2.33 0.00 0.00 43.42 40.81 2jgr n LEU 297 CO 0.12 0.72 -0.28 -0.76 -1.33 0.00 0.00 177.39 175.87 2jgr s LEU 298 N -1.91 3.75 0.00 2.23 1.43 -1.09 -0.06 118.68 123.03 2jgr s LEU 298 Ca 0.36 0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.69 2jgr s LEU 298 Cb 0.25 -1.88 0.26 0.00 0.03 0.00 0.00 46.19 44.84 2jgr s LEU 298 CO 0.14 0.35 0.73 -1.14 0.23 0.00 0.00 176.35 176.67