#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xgr s ASP 1 N 0.00 6.47 0.10 3.17 1.01 -1.26 -4.93 116.67 121.23 1xgr s ASP 1 Ca 0.00 2.80 -0.31 0.00 0.71 0.00 0.00 52.55 55.75 1xgr s ASP 1 Cb 0.00 -2.61 -0.08 0.00 1.01 0.00 0.00 42.92 41.23 1xgr s ASP 1 CO 0.00 -0.88 1.52 -0.63 0.21 0.00 0.00 175.17 175.39 1xgr s ILE 2 N 0.63 3.08 -0.19 0.77 1.01 -1.26 -4.99 121.20 120.24 1xgr s ILE 2 Ca 0.68 0.68 -0.09 0.00 0.00 0.00 0.00 60.65 61.92 1xgr s ILE 2 Cb -0.47 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 1xgr s ILE 2 CO 0.38 0.03 0.10 -0.69 0.00 0.00 0.00 174.94 174.77 1xgr s VAL 3 N 1.76 5.17 -0.21 2.92 1.01 -1.26 -4.79 120.40 124.99 1xgr s VAL 3 Ca 0.69 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.73 1xgr s VAL 3 Cb -0.39 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1xgr s VAL 3 CO 0.31 0.46 -0.04 -0.76 0.00 0.00 0.00 175.10 175.07 1xgr s LEU 4 N 0.24 2.92 -0.24 3.92 1.43 -1.26 -0.74 118.68 124.94 1xgr s LEU 4 Ca 0.07 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 1xgr s LEU 4 Cb -0.12 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1xgr s LEU 4 CO -0.01 -0.00 0.04 -0.89 0.23 0.00 0.00 176.35 175.72 1xgr s THR 5 N 1.37 4.00 0.01 5.49 2.01 0.14 -3.80 115.64 124.86 1xgr s THR 5 Ca 0.04 -0.30 -0.00 0.00 0.31 0.00 0.00 61.69 61.74 1xgr s THR 5 Cb -0.14 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 1xgr s THR 5 CO -0.02 0.35 0.11 -1.10 -0.69 0.00 0.00 174.62 173.27 1xgr s GLN 6 N 1.57 3.14 -0.06 4.92 -0.21 -1.26 -0.45 119.66 127.31 1xgr s GLN 6 Ca 0.06 -0.48 -0.09 0.00 0.02 0.00 0.00 55.36 54.87 1xgr s GLN 6 Cb -0.15 -2.90 0.02 0.00 1.00 0.00 0.00 33.01 30.98 1xgr s GLN 6 CO 0.01 0.64 0.23 -1.12 -2.12 0.00 0.00 175.29 172.93 1xgr s SER 7 N -1.93 -0.18 0.97 5.90 0.01 -0.60 -4.48 113.70 113.39 1xgr s SER 7 Ca 0.26 0.26 -0.16 0.00 1.31 0.00 0.00 55.95 57.62 1xgr s SER 7 Cb -0.12 0.40 0.21 0.00 0.21 0.00 0.00 66.02 66.71 1xgr s SER 7 CO 0.17 -0.21 1.33 -2.84 0.41 0.00 0.00 173.24 172.10 1xgr s PRO 8 N -0.47 0.55 0.17 12.44 0.02 -1.26 -2.22 135.00 144.23 1xgr s PRO 8 Ca -0.06 -0.48 -0.10 0.00 0.02 0.00 0.00 61.00 60.38 1xgr s PRO 8 Cb -0.04 -1.85 0.05 0.00 0.02 0.00 0.00 34.50 32.68 1xgr s PRO 8 CO 0.01 -2.46 1.62 0.00 -0.33 0.00 0.00 177.00 175.84 1xgr h ALA 9 N -1.66 0.76 -2.95 -1.55 0.00 -1.86 -3.42 119.26 108.58 1xgr h ALA 9 Ca -0.44 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 53.97 1xgr h ALA 9 Cb 1.23 -0.21 -0.21 0.00 0.00 0.00 0.00 17.79 18.60 1xgr h ALA 9 CO 0.35 0.61 -0.70 -0.08 0.00 0.00 0.00 179.25 179.43 1xgr s THR 10 N -4.99 0.20 -0.05 0.00 -1.32 -1.26 -0.23 115.64 107.99 1xgr s THR 10 Ca -0.12 -1.02 -0.02 0.00 -1.21 0.00 0.00 61.69 59.32 1xgr s THR 10 Cb 0.13 -0.43 0.04 0.00 -1.51 0.00 0.00 72.50 70.72 1xgr s THR 10 CO 0.85 -0.52 0.09 -0.76 -2.21 0.00 0.00 174.62 172.06 1xgr s LEU 11 N -1.61 0.26 -0.21 9.08 1.43 0.95 -4.89 118.68 123.69 1xgr s LEU 11 Ca -0.13 0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 53.04 1xgr s LEU 11 Cb -0.08 0.01 -0.05 0.00 0.03 0.00 0.00 46.19 46.10 1xgr s LEU 11 CO -0.01 -0.22 0.11 -0.44 0.23 0.00 0.00 176.35 176.01 1xgr s SER 12 N 1.98 5.92 0.17 2.29 0.01 -1.26 -0.23 113.70 122.59 1xgr s SER 12 Ca 0.02 0.12 -0.02 0.00 1.31 0.00 0.00 55.95 57.37 1xgr s SER 12 Cb -0.12 -2.04 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 1xgr s SER 12 CO -0.04 0.14 0.13 0.68 0.41 0.00 0.00 173.24 174.56 1xgr s VAL 13 N 0.61 0.04 -0.16 3.43 -7.23 -0.06 -4.71 120.40 112.32 1xgr s VAL 13 Ca 0.06 -1.89 -0.07 0.00 -1.81 0.00 0.00 61.98 58.27 1xgr s VAL 13 Cb -0.12 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1xgr s VAL 13 CO 0.01 -0.19 0.09 -0.89 -0.31 0.00 0.00 175.10 173.80 1xgr s THR 14 N -4.10 5.03 0.22 5.32 2.01 -1.26 -0.58 115.64 122.28 1xgr s THR 14 Ca 0.31 0.04 -0.31 0.00 0.31 0.00 0.00 61.69 62.04 1xgr s THR 14 Cb 0.06 -3.23 -0.15 0.00 0.01 0.00 0.00 72.50 69.19 1xgr s THR 14 CO 0.07 0.52 1.22 -2.65 -0.69 0.00 0.00 174.62 173.09 1xgr n PRO 15 N 2.96 1.51 0.00 4.92 -0.02 -1.26 -1.03 135.00 142.08 1xgr n PRO 15 Ca -0.18 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1xgr n PRO 15 Cb 0.53 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1xgr n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xgr n GLY 16 N 1.88 2.98 3.90 -1.23 0.00 0.82 -4.94 105.19 108.60 1xgr n GLY 16 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1xgr n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xgr s ASP 17 N -1.31 6.18 0.17 1.61 1.11 -0.20 -4.34 116.67 119.90 1xgr s ASP 17 Ca 0.00 1.01 0.05 0.00 0.18 0.00 0.00 52.55 53.79 1xgr s ASP 17 Cb 0.00 -2.24 -0.04 0.00 1.07 0.00 0.00 42.92 41.72 1xgr s ASP 17 CO 0.00 -0.69 0.18 -0.44 1.18 0.00 0.00 175.17 175.39 1xgr s SER 18 N -4.14 5.70 0.05 0.27 0.01 -1.26 0.23 113.70 114.56 1xgr s SER 18 Ca 0.50 -0.08 -0.10 0.00 1.31 0.00 0.00 55.95 57.58 1xgr s SER 18 Cb -0.10 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.59 1xgr s SER 18 CO 0.47 0.05 0.20 0.54 0.41 0.00 0.00 173.24 174.91 1xgr s VAL 19 N -1.80 0.12 -0.11 3.43 0.11 -0.98 -4.91 120.40 116.26 1xgr s VAL 19 Ca 0.32 -0.95 -0.00 0.00 -2.93 0.00 0.00 61.98 58.42 1xgr s VAL 19 Cb -0.10 -1.03 0.02 0.00 -1.53 0.00 0.00 36.38 33.75 1xgr s VAL 19 CO 0.25 -0.53 -0.08 -0.44 -3.33 0.00 0.00 175.10 170.97 1xgr s SER 20 N -2.29 2.15 -0.16 3.54 0.01 -1.26 -2.01 113.70 113.68 1xgr s SER 20 Ca -0.02 -0.31 -0.07 0.00 1.31 0.00 0.00 55.95 56.86 1xgr s SER 20 Cb 0.01 -0.85 -0.04 0.00 0.21 0.00 0.00 66.02 65.35 1xgr s SER 20 CO -0.06 -0.10 0.06 -0.76 0.41 0.00 0.00 173.24 172.79 1xgr s LEU 21 N 1.60 3.86 -0.05 2.44 1.43 0.83 -4.89 118.68 123.91 1xgr s LEU 21 Ca 0.03 0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1xgr s LEU 21 Cb -0.13 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1xgr s LEU 21 CO -0.07 0.23 0.06 -0.55 0.23 0.00 0.00 176.35 176.25 1xgr s SER 22 N 0.03 5.63 -0.04 2.29 0.15 -0.94 -0.67 113.70 120.15 1xgr s SER 22 Ca 0.06 0.19 -0.00 0.00 0.70 0.00 0.00 55.95 56.89 1xgr s SER 22 Cb -0.12 -1.64 0.03 0.00 -1.71 0.00 0.00 66.02 62.58 1xgr s SER 22 CO 0.01 0.32 0.02 0.00 1.20 0.00 0.00 173.24 174.79 1xgr s ARG 24 N 1.45 2.03 -0.07 0.00 3.00 0.40 -1.62 118.95 124.14 1xgr s ARG 24 Ca -0.04 -0.71 -0.04 0.00 0.00 0.00 0.00 55.73 54.94 1xgr s ARG 24 Cb -0.13 -1.76 -0.04 0.00 0.00 0.00 0.00 34.95 33.03 1xgr s ARG 24 CO -0.03 0.30 0.11 0.00 0.00 0.00 0.00 175.30 175.68 1xgr s ALA 25 N -0.05 3.73 -0.93 2.13 0.00 -0.77 0.25 121.76 126.12 1xgr s ALA 25 Ca -0.03 -0.74 0.12 0.00 0.00 0.00 0.00 51.96 51.31 1xgr s ALA 25 Cb -0.12 -1.79 0.52 0.00 0.00 0.00 0.00 23.12 21.73 1xgr s ALA 25 CO 0.03 0.65 1.38 -1.13 0.00 0.00 0.00 175.76 176.69 1xgr n SER 26 N 1.64 0.07 -3.83 0.00 3.41 0.08 -4.72 113.62 110.26 1xgr n SER 26 Ca -0.17 0.52 -0.09 0.00 -0.26 0.00 0.00 58.87 58.88 1xgr n SER 26 Cb 0.54 -0.53 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1xgr n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1xgr s GLN 27 N -3.04 0.86 0.25 4.33 -0.21 -1.26 -4.96 119.66 115.63 1xgr s GLN 27 Ca 0.05 -0.92 -0.30 0.00 0.02 0.00 0.00 55.36 54.21 1xgr s GLN 27 Cb 0.07 0.35 -0.10 0.00 1.00 0.00 0.00 33.01 34.34 1xgr s GLN 27 CO 0.21 -0.28 1.32 0.45 -2.12 0.00 0.00 175.29 174.87 1xgr s SER 28 N -2.84 6.84 -0.03 5.90 0.15 -1.26 -4.61 113.70 117.86 1xgr s SER 28 Ca 0.04 2.53 0.04 0.00 0.70 0.00 0.00 55.95 59.26 1xgr s SER 28 Cb 0.04 -2.63 0.06 0.00 -1.71 0.00 0.00 66.02 61.79 1xgr s SER 28 CO -0.11 -0.53 0.93 2.30 1.20 0.00 0.00 173.24 177.03 1xgr n ILE 29 N 1.94 0.51 0.00 6.45 -5.35 0.70 -4.98 119.36 118.62 1xgr n ILE 29 Ca 0.04 -0.59 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 1xgr n ILE 29 Cb 0.42 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.76 1xgr n ILE 29 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1xgr n SER 30 N -0.36 0.00 -0.92 7.28 7.64 -1.24 -1.08 113.62 124.94 1xgr n SER 30 Ca 0.03 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.99 1xgr n SER 30 Cb 0.60 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 64.03 1xgr n SER 30 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1xgr n ASN 31 N 7.56 3.62 -3.14 6.43 2.04 -1.26 -1.06 115.26 129.44 1xgr n ASN 31 Ca 0.00 -2.41 -0.35 0.00 -0.44 0.00 0.00 54.58 51.38 1xgr n ASN 31 Cb 0.00 -0.40 -0.03 0.00 -2.53 0.00 0.00 39.78 36.81 1xgr n ASN 31 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1xgr n ASN 32 N 0.33 7.73 -4.06 0.53 4.13 -0.24 -2.29 115.26 121.38 1xgr n ASN 32 Ca 0.18 -2.95 -0.25 0.00 1.68 0.00 0.00 54.58 53.23 1xgr n ASN 32 Cb 0.67 -1.39 -0.16 0.00 -1.54 0.00 0.00 39.78 37.35 1xgr n ASN 32 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1xgr s LEU 33 N -1.39 1.76 0.09 3.41 1.98 -1.26 -2.17 118.68 121.10 1xgr s LEU 33 Ca 0.60 -0.33 0.10 0.00 -2.89 0.00 0.00 54.13 51.61 1xgr s LEU 33 Cb 0.23 -0.89 -0.03 0.00 0.66 0.00 0.00 46.19 46.15 1xgr s LEU 33 CO -0.10 0.07 -0.25 -1.00 -1.89 0.00 0.00 176.35 173.18 1xgr s HIS 34 N 0.46 2.17 -0.14 5.38 3.76 0.94 0.11 115.29 127.96 1xgr s HIS 34 Ca -0.12 -0.39 -0.02 0.00 -0.15 0.00 0.00 55.06 54.38 1xgr s HIS 34 Cb -0.14 -1.23 -0.02 0.00 1.11 0.00 0.00 32.58 32.30 1xgr s HIS 34 CO 0.04 0.23 -0.07 -1.58 -0.85 0.00 0.00 174.74 172.50 1xgr s TRP 35 N -0.97 2.94 0.06 1.40 0.52 -0.40 -0.73 118.94 121.76 1xgr s TRP 35 Ca 0.11 -0.40 0.09 0.00 0.02 0.00 0.00 56.10 55.93 1xgr s TRP 35 Cb -0.10 -1.90 -0.03 0.00 -1.15 0.00 0.00 33.47 30.29 1xgr s TRP 35 CO 0.04 -0.07 -0.24 0.71 0.02 0.00 0.00 176.95 177.40 1xgr s TYR 36 N 0.27 2.13 -0.07 -1.98 2.02 0.10 -0.57 117.35 119.26 1xgr s TYR 36 Ca -0.06 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.27 1xgr s TYR 36 Cb -0.15 -1.25 -0.02 0.00 -0.40 0.00 0.00 41.96 40.14 1xgr s TYR 36 CO 0.04 0.16 -0.13 -1.14 -1.57 0.00 0.00 175.55 172.91 1xgr s GLN 37 N -1.41 2.73 -0.16 -0.62 0.74 0.07 -0.78 119.66 120.23 1xgr s GLN 37 Ca 0.10 -0.67 -0.05 0.00 0.05 0.00 0.00 55.36 54.80 1xgr s GLN 37 Cb -0.10 -2.47 0.06 0.00 1.10 0.00 0.00 33.01 31.60 1xgr s GLN 37 CO 0.03 0.55 0.08 -1.14 -0.55 0.00 0.00 175.29 174.26 1xgr s GLN 38 N -0.53 0.08 0.47 1.67 0.74 0.11 0.08 119.66 122.29 1xgr s GLN 38 Ca 0.07 -0.05 -0.06 0.00 0.05 0.00 0.00 55.36 55.37 1xgr s GLN 38 Cb -0.12 -1.72 -0.04 0.00 1.10 0.00 0.00 33.01 32.23 1xgr s GLN 38 CO 0.02 -0.64 0.79 0.15 -0.55 0.00 0.00 175.29 175.06 1xgr s LYS 39 N 2.13 3.57 0.31 1.67 1.02 -1.26 -1.25 119.74 125.93 1xgr s LYS 39 Ca 0.02 0.24 -0.29 0.00 0.02 0.00 0.00 55.97 55.97 1xgr s LYS 39 Cb -0.16 -2.37 -0.13 0.00 -0.52 0.00 0.00 37.83 34.65 1xgr s LYS 39 CO -0.08 -0.19 1.28 -1.13 -0.92 0.00 0.00 175.35 174.31 1xgr n SER 40 N -2.16 2.59 -2.15 2.83 3.41 -1.26 -1.85 113.62 115.04 1xgr n SER 40 Ca 0.01 1.19 -0.21 0.00 -0.26 0.00 0.00 58.87 59.60 1xgr n SER 40 Cb 0.55 -1.45 -0.04 0.00 -0.26 0.00 0.00 64.21 63.01 1xgr n SER 40 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xgr n HIS 41 N 0.65 -0.69 -4.08 7.33 8.25 -1.26 -4.97 115.22 120.44 1xgr n HIS 41 Ca 0.07 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.43 1xgr n HIS 41 Cb 0.35 -3.81 -0.10 0.00 1.12 0.00 0.00 29.99 27.55 1xgr n HIS 41 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1xgr s GLU 42 N -4.64 0.58 0.57 -0.41 2.02 -0.77 -5.16 118.70 110.90 1xgr s GLU 42 Ca 0.00 -1.02 -0.07 0.00 0.02 0.00 0.00 54.97 53.89 1xgr s GLU 42 Cb 0.00 -0.02 -0.01 0.00 0.10 0.00 0.00 34.13 34.20 1xgr s GLU 42 CO 0.00 -0.04 0.91 -1.54 0.02 0.00 0.00 175.26 174.61 1xgr s SER 43 N -2.37 5.92 0.43 -0.19 1.04 -1.26 -4.51 113.70 112.76 1xgr s SER 43 Ca -0.00 0.96 -0.26 0.00 0.48 0.00 0.00 55.95 57.13 1xgr s SER 43 Cb -0.00 -2.06 -0.09 0.00 0.10 0.00 0.00 66.02 63.97 1xgr s SER 43 CO -0.05 -0.90 1.38 -2.65 0.98 0.00 0.00 173.24 172.01 1xgr n PRO 44 N -2.55 2.20 -4.64 4.02 -0.02 -1.26 -4.66 135.00 128.09 1xgr n PRO 44 Ca 0.04 0.78 -0.30 0.00 -2.02 0.00 0.00 63.50 62.00 1xgr n PRO 44 Cb 0.56 -2.54 -0.17 0.00 -0.02 0.00 0.00 33.50 31.33 1xgr n PRO 44 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1xgr s ARG 45 N -2.30 2.48 0.03 -0.52 3.52 0.11 -4.94 118.95 117.33 1xgr s ARG 45 Ca 0.60 -0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 55.23 1xgr s ARG 45 Cb -0.48 -2.03 -0.06 0.00 -1.56 0.00 0.00 34.95 30.83 1xgr s ARG 45 CO 0.59 -0.00 1.40 -1.17 -0.81 0.00 0.00 175.30 175.30 1xgr s LEU 46 N 0.81 4.33 -0.14 -0.88 2.96 -1.26 -0.75 118.68 123.75 1xgr s LEU 46 Ca -0.09 2.17 -0.02 0.00 -0.22 0.00 0.00 54.13 55.97 1xgr s LEU 46 Cb -0.16 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.89 1xgr s LEU 46 CO 0.01 -0.70 -0.15 0.18 -1.32 0.00 0.00 176.35 174.37 1xgr n LEU 47 N 4.97 2.22 -3.95 -0.68 4.77 0.26 -4.95 117.00 119.64 1xgr n LEU 47 Ca 0.13 0.03 -0.17 0.00 -0.03 0.00 0.00 56.01 55.96 1xgr n LEU 47 Cb 0.43 -0.47 -0.15 0.00 -2.33 0.00 0.00 43.42 40.90 1xgr n LEU 47 CO 0.59 0.57 -0.41 -0.63 -1.33 0.00 0.00 177.39 176.17 1xgr s ILE 48 N -2.28 0.50 0.13 -0.08 -1.09 -1.18 -4.05 121.20 113.16 1xgr s ILE 48 Ca -0.20 -0.23 0.10 0.00 -2.23 0.00 0.00 60.65 58.09 1xgr s ILE 48 Cb 0.06 -0.45 -0.04 0.00 -1.58 0.00 0.00 42.46 40.45 1xgr s ILE 48 CO 0.30 0.16 -0.19 -1.59 -1.23 0.00 0.00 174.94 172.39 1xgr s LYS 49 N 0.14 1.72 -1.33 2.79 -2.85 -0.85 -1.28 119.74 118.08 1xgr s LYS 49 Ca -0.01 -1.25 -0.08 0.00 -1.00 0.00 0.00 55.97 53.63 1xgr s LYS 49 Cb -0.06 -2.06 0.00 0.00 -2.06 0.00 0.00 37.83 33.66 1xgr s LYS 49 CO -0.00 0.46 0.52 0.66 0.10 0.00 0.00 175.35 177.09 1xgr n TYR 50 N 0.69 -1.69 0.00 1.78 4.01 -1.15 -1.37 117.16 119.43 1xgr n TYR 50 Ca -0.15 0.62 0.00 0.00 -0.16 0.00 0.00 57.90 58.21 1xgr n TYR 50 Cb 0.53 -3.58 0.00 0.00 -0.31 0.00 0.00 39.34 35.98 1xgr n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xgr n ALA 51 N -4.39 0.00 -1.20 -0.72 0.00 0.12 -3.89 120.51 110.43 1xgr n ALA 51 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1xgr n ALA 51 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1xgr n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xgr n SER 52 N 0.89 0.00 -4.73 0.00 3.41 -1.20 -2.90 113.62 109.08 1xgr n SER 52 Ca 0.00 -1.00 -0.41 0.00 -0.26 0.00 0.00 58.87 57.20 1xgr n SER 52 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1xgr n SER 52 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1xgr s GLN 53 N 0.00 4.70 0.27 4.33 -0.21 -0.47 -4.69 119.66 123.59 1xgr s GLN 53 Ca 0.00 1.52 -0.14 0.00 0.02 0.00 0.00 55.36 56.76 1xgr s GLN 53 Cb 0.00 -3.34 -0.08 0.00 1.00 0.00 0.00 33.01 30.59 1xgr s GLN 53 CO 0.00 0.23 0.67 -1.54 -2.12 0.00 0.00 175.29 172.53 1xgr s SER 54 N -0.22 6.78 -0.20 5.90 1.04 -1.26 -2.00 113.70 123.74 1xgr s SER 54 Ca 0.47 1.19 -0.12 0.00 0.48 0.00 0.00 55.95 57.96 1xgr s SER 54 Cb -0.25 -2.33 -0.05 0.00 0.10 0.00 0.00 66.02 63.49 1xgr s SER 54 CO 0.31 -0.11 0.24 -0.63 0.98 0.00 0.00 173.24 174.03 1xgr s ILE 55 N -1.83 5.33 -0.15 -1.02 -1.09 -1.26 -4.92 121.20 116.27 1xgr s ILE 55 Ca 0.49 0.39 -0.29 0.00 -2.23 0.00 0.00 60.65 59.01 1xgr s ILE 55 Cb -0.12 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.14 1xgr s ILE 55 CO 0.19 0.36 1.87 -0.55 -1.23 0.00 0.00 174.94 175.58 1xgr s SER 56 N 0.71 6.15 0.00 3.58 0.15 -1.26 -1.80 113.70 121.24 1xgr s SER 56 Ca 0.12 1.97 0.00 0.00 0.70 0.00 0.00 55.95 58.75 1xgr s SER 56 Cb -0.13 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1xgr s SER 56 CO 0.03 -1.39 0.00 0.61 1.20 0.00 0.00 173.24 173.69 1xgr n GLY 57 N 4.91 1.34 3.84 9.45 0.00 -1.26 -5.10 105.19 118.37 1xgr n GLY 57 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1xgr n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xgr s ILE 58 N -1.81 5.43 0.36 -0.61 -1.09 -0.74 -5.06 121.20 117.67 1xgr s ILE 58 Ca 0.00 0.30 -0.27 0.00 -2.23 0.00 0.00 60.65 58.46 1xgr s ILE 58 Cb 0.00 -3.46 -0.12 0.00 -1.58 0.00 0.00 42.46 37.30 1xgr s ILE 58 CO 0.00 0.57 1.10 -2.65 -1.23 0.00 0.00 174.94 172.73 1xgr n PRO 59 N 2.30 1.59 0.18 2.79 -0.02 -1.26 -4.89 135.00 135.68 1xgr n PRO 59 Ca -0.18 0.56 0.13 0.00 -2.02 0.00 0.00 63.50 61.99 1xgr n PRO 59 Cb 0.54 -2.07 0.59 0.00 -0.02 0.00 0.00 33.50 32.54 1xgr n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xgr h SER 60 N 1.98 0.00 0.50 2.55 4.64 -1.97 -2.77 113.55 118.48 1xgr h SER 60 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1xgr h SER 60 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1xgr h SER 60 CO 0.60 0.00 0.00 0.08 -0.87 0.00 0.00 176.83 176.64 1xgr h ARG 61 N 0.00 0.00 -5.77 4.77 0.11 -1.90 -3.42 114.38 108.17 1xgr h ARG 61 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 1xgr h ARG 61 Cb 0.29 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.29 1xgr h ARG 61 CO 0.00 0.00 -0.08 -0.06 0.10 0.00 0.00 179.97 179.93 1xgr s PHE 62 N -3.56 3.51 0.05 4.08 0.08 -1.05 -1.07 117.98 120.02 1xgr s PHE 62 Ca 0.01 0.94 -0.19 0.00 0.12 0.00 0.00 56.93 57.80 1xgr s PHE 62 Cb 0.09 -2.61 0.04 0.00 -0.57 0.00 0.00 43.02 39.97 1xgr s PHE 62 CO 0.37 0.12 0.45 -1.54 -0.10 0.00 0.00 175.22 174.52 1xgr s SER 63 N 0.72 -0.33 0.16 1.36 1.04 -0.49 -4.99 113.70 111.17 1xgr s SER 63 Ca 0.28 0.05 0.06 0.00 0.48 0.00 0.00 55.95 56.81 1xgr s SER 63 Cb -0.16 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 1xgr s SER 63 CO 0.12 -0.68 -0.12 -0.83 0.98 0.00 0.00 173.24 172.70 1xgr s GLY 64 N -2.01 1.18 0.31 7.32 0.00 -1.26 0.29 107.32 113.16 1xgr s GLY 64 Ca -0.05 -1.52 -0.09 0.00 0.00 0.00 0.00 44.72 43.05 1xgr s GLY 64 CO -0.02 -1.62 0.54 -1.35 0.00 0.00 0.00 173.10 170.65 1xgr s SER 65 N -3.14 0.33 0.00 1.64 1.04 -0.34 -4.34 113.70 108.90 1xgr s SER 65 Ca 0.18 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1xgr s SER 65 Cb 0.01 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1xgr s SER 65 CO 0.03 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 173.54 1xgr n GLY 66 N -0.49 1.08 3.61 7.32 0.00 -1.26 -1.42 105.19 114.02 1xgr n GLY 66 Ca -0.02 -2.09 -0.04 0.00 0.00 0.00 0.00 46.02 43.87 1xgr n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xgr s SER 67 N 0.00 -0.18 0.12 1.61 1.04 -0.88 -4.89 113.70 110.51 1xgr s SER 67 Ca 0.00 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1xgr s SER 67 Cb 0.00 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1xgr s SER 67 CO 0.00 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1xgr n GLY 68 N -0.30 1.79 0.00 7.32 0.00 -0.22 -2.99 105.19 110.79 1xgr n GLY 68 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1xgr n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xgr n THR 69 N 0.00 0.00 -4.06 2.61 -2.24 -1.26 -0.22 114.28 109.11 1xgr n THR 69 Ca 0.00 -0.21 -0.32 0.00 -2.27 0.00 0.00 64.05 61.25 1xgr n THR 69 Cb 0.00 1.56 -0.16 0.00 -2.10 0.00 0.00 70.33 69.63 1xgr n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xgr s ASP 70 N -0.02 3.53 0.12 3.42 2.15 -1.16 -1.84 116.67 122.86 1xgr s ASP 70 Ca 0.00 -0.91 0.06 0.00 0.43 0.00 0.00 52.55 52.13 1xgr s ASP 70 Cb 0.00 -1.41 -0.04 0.00 -0.30 0.00 0.00 42.92 41.18 1xgr s ASP 70 CO 0.00 -0.10 -0.14 -0.36 -0.17 0.00 0.00 175.17 174.41 1xgr s PHE 71 N 1.28 1.37 -0.01 -5.34 0.40 -0.64 -2.08 117.98 112.95 1xgr s PHE 71 Ca -0.01 -0.56 0.00 0.00 -0.60 0.00 0.00 56.93 55.76 1xgr s PHE 71 Cb -0.16 -0.72 0.02 0.00 0.51 0.00 0.00 43.02 42.68 1xgr s PHE 71 CO -0.09 0.13 0.02 0.99 0.70 0.00 0.00 175.22 176.97 1xgr s THR 72 N -2.16 -0.03 -0.22 0.64 2.01 -0.51 -2.02 115.64 113.35 1xgr s THR 72 Ca 0.08 0.14 -0.07 0.00 0.31 0.00 0.00 61.69 62.16 1xgr s THR 72 Cb -0.05 -0.07 -0.03 0.00 0.01 0.00 0.00 72.50 72.36 1xgr s THR 72 CO 0.03 0.06 0.06 -0.22 -0.69 0.00 0.00 174.62 173.86 1xgr s LEU 73 N 0.74 3.53 0.01 4.42 2.96 0.16 -1.19 118.68 129.30 1xgr s LEU 73 Ca -0.06 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 53.78 1xgr s LEU 73 Cb -0.09 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 1xgr s LEU 73 CO -0.02 0.04 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.46 1xgr s SER 74 N 1.16 4.02 -0.26 3.68 0.01 0.15 -0.12 113.70 122.33 1xgr s SER 74 Ca 0.04 -0.30 -0.00 0.00 1.31 0.00 0.00 55.95 57.00 1xgr s SER 74 Cb -0.14 -0.77 0.08 0.00 0.21 0.00 0.00 66.02 65.39 1xgr s SER 74 CO 0.03 0.29 0.03 -0.63 0.41 0.00 0.00 173.24 173.37 1xgr s ILE 75 N -0.88 1.10 -0.20 1.44 1.01 -0.85 -1.40 121.20 121.42 1xgr s ILE 75 Ca 0.14 -1.19 -0.29 0.00 0.00 0.00 0.00 60.65 59.31 1xgr s ILE 75 Cb -0.11 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 1xgr s ILE 75 CO 0.04 -0.36 1.28 0.21 0.00 0.00 0.00 174.94 176.11 1xgr s ASN 76 N 1.56 6.86 -0.31 3.58 3.84 -0.23 -2.32 114.94 127.92 1xgr s ASN 76 Ca 0.02 1.56 -0.05 0.00 0.21 0.00 0.00 52.86 54.60 1xgr s ASN 76 Cb -0.18 -2.54 0.01 0.00 -0.55 0.00 0.00 41.25 37.99 1xgr s ASN 76 CO -0.13 -0.85 0.16 -0.24 -2.79 0.00 0.00 177.10 173.25 1xgr n SER 77 N 6.91 -7.79 -4.77 -4.21 2.88 -1.12 -4.79 113.62 100.72 1xgr n SER 77 Ca 0.14 1.08 -0.41 0.00 -1.33 0.00 0.00 58.87 58.35 1xgr n SER 77 Cb 0.45 -4.84 -0.01 0.00 -0.75 0.00 0.00 64.21 59.06 1xgr n SER 77 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1xgr s VAL 78 N -1.78 2.46 0.34 2.46 1.01 0.64 -4.65 120.40 120.88 1xgr s VAL 78 Ca 0.07 0.46 0.08 0.00 0.00 0.00 0.00 61.98 62.59 1xgr s VAL 78 Cb -0.02 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1xgr s VAL 78 CO 0.71 0.11 0.23 -1.61 0.00 0.00 0.00 175.10 174.53 1xgr s GLU 79 N -1.94 2.55 0.35 2.72 0.41 -1.26 -0.13 118.70 121.40 1xgr s GLU 79 Ca 0.51 -1.43 0.14 0.00 -0.41 0.00 0.00 54.97 53.78 1xgr s GLU 79 Cb -0.42 -2.33 1.02 0.00 -1.78 0.00 0.00 34.13 30.62 1xgr s GLU 79 CO 0.56 0.08 1.71 1.15 -0.49 0.00 0.00 175.26 178.28 1xgr h THR 80 N 1.37 0.44 -0.48 3.63 2.02 -1.97 -0.47 112.91 117.44 1xgr h THR 80 Ca -0.44 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1xgr h THR 80 Cb 1.25 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1xgr h THR 80 CO 0.61 0.08 0.00 -1.84 0.37 0.00 0.00 175.52 174.74 1xgr n GLU 81 N -4.87 2.92 0.00 6.66 0.00 -1.26 -4.20 120.64 119.89 1xgr n GLU 81 Ca 0.29 -2.07 0.12 0.00 0.00 0.00 0.00 57.16 55.49 1xgr n GLU 81 Cb 0.88 -1.69 0.23 0.00 0.00 0.00 0.00 31.44 30.85 1xgr n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1xgr n ASP 82 N 0.80 1.24 -4.75 -1.84 8.00 -0.19 -4.95 116.55 114.86 1xgr n ASP 82 Ca 0.19 -1.00 -0.40 0.00 0.71 0.00 0.00 54.79 54.29 1xgr n ASP 82 Cb 0.66 0.30 -0.05 0.00 -0.02 0.00 0.00 41.12 42.01 1xgr n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1xgr s PHE 83 N -2.58 3.81 -5.00 1.24 0.40 -1.26 -4.90 117.98 109.68 1xgr s PHE 83 Ca 0.20 1.82 0.00 0.00 -0.60 0.00 0.00 56.93 58.35 1xgr s PHE 83 Cb 0.19 -3.12 0.00 0.00 0.51 0.00 0.00 43.02 40.60 1xgr s PHE 83 CO 0.58 0.01 0.00 0.41 0.70 0.00 0.00 175.22 176.92 1xgr n GLY 84 N 1.36 0.08 3.85 4.36 0.00 -0.56 -4.80 105.19 109.47 1xgr n GLY 84 Ca -0.02 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 1xgr n GLY 84 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xgr s MET 85 N -2.00 3.87 -0.08 1.61 -1.94 -0.38 0.59 119.30 120.97 1xgr s MET 85 Ca 0.00 0.34 0.02 0.00 -1.71 0.00 0.00 55.69 54.33 1xgr s MET 85 Cb 0.00 -3.11 0.02 0.00 2.01 0.00 0.00 34.83 33.74 1xgr s MET 85 CO 0.00 0.62 -0.12 0.71 -0.01 0.00 0.00 175.02 176.23 1xgr s TYR 86 N -1.23 1.55 0.10 -0.03 1.51 0.12 0.09 117.35 119.46 1xgr s TYR 86 Ca 0.28 -0.65 0.07 0.00 -1.01 0.00 0.00 57.07 55.76 1xgr s TYR 86 Cb -0.16 -1.17 -0.03 0.00 -0.11 0.00 0.00 41.96 40.49 1xgr s TYR 86 CO 0.16 -0.37 -0.18 -0.06 -1.11 0.00 0.00 175.55 173.99 1xgr s PHE 87 N 0.96 1.59 0.15 2.71 0.40 0.04 0.02 117.98 123.86 1xgr s PHE 87 Ca -0.09 -0.45 0.09 0.00 -0.60 0.00 0.00 56.93 55.88 1xgr s PHE 87 Cb -0.15 -0.86 -0.04 0.00 0.51 0.00 0.00 43.02 42.48 1xgr s PHE 87 CO -0.00 0.17 -0.13 0.00 0.70 0.00 0.00 175.22 175.96 1xgr s GLN 89 N -2.53 0.15 0.01 0.00 0.74 0.09 -0.44 119.66 117.67 1xgr s GLN 89 Ca 0.22 0.27 -0.00 0.00 0.05 0.00 0.00 55.36 55.90 1xgr s GLN 89 Cb -0.10 -0.01 -0.04 0.00 1.10 0.00 0.00 33.01 33.97 1xgr s GLN 89 CO 0.13 -0.07 0.10 1.14 -0.55 0.00 0.00 175.29 176.04 1xgr s GLN 90 N 0.46 3.10 -0.07 1.67 1.03 -0.39 -0.04 119.66 125.41 1xgr s GLN 90 Ca -0.03 -0.50 0.11 0.00 0.04 0.00 0.00 55.36 54.98 1xgr s GLN 90 Cb -0.05 -2.87 0.19 0.00 0.03 0.00 0.00 33.01 30.31 1xgr s GLN 90 CO -0.02 0.63 1.09 -1.13 -2.54 0.00 0.00 175.29 173.33 1xgr n SER 91 N 0.99 1.27 0.09 12.60 3.41 -0.92 -3.22 113.62 127.85 1xgr n SER 91 Ca -0.12 -2.64 -0.17 0.00 -0.26 0.00 0.00 58.87 55.69 1xgr n SER 91 Cb 0.52 -0.34 -0.11 0.00 -0.26 0.00 0.00 64.21 64.03 1xgr n SER 91 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1xgr h ASN 92 N 0.12 0.57 -4.49 4.04 -0.73 -1.88 -3.46 115.58 109.74 1xgr h ASN 92 Ca -0.01 -0.54 -0.32 0.00 1.87 0.00 0.00 56.30 57.30 1xgr h ASN 92 Cb 1.21 -0.18 -0.23 0.00 0.27 0.00 0.00 38.32 39.39 1xgr h ASN 92 CO 0.01 1.38 -0.75 -0.44 -0.37 0.00 0.00 177.43 177.26 1xgr s SER 93 N -7.21 0.97 -0.09 1.15 0.01 -1.26 -5.14 113.70 102.13 1xgr s SER 93 Ca -0.06 -0.44 -0.14 0.00 1.31 0.00 0.00 55.95 56.62 1xgr s SER 93 Cb 0.07 -0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.24 1xgr s SER 93 CO 0.89 -0.10 0.33 0.86 0.41 0.00 0.00 173.24 175.63 1xgr s TRP 94 N -1.02 3.59 0.35 2.43 -0.11 -1.26 -3.20 118.94 119.71 1xgr s TRP 94 Ca -0.05 0.77 -0.26 0.00 1.22 0.00 0.00 56.10 57.77 1xgr s TRP 94 Cb -0.08 -2.29 -0.09 0.00 -1.50 0.00 0.00 33.47 29.51 1xgr s TRP 94 CO 0.01 0.45 1.09 -1.25 -4.62 0.00 0.00 176.95 172.62 1xgr s PRO 95 N -0.30 4.34 0.54 5.86 0.04 -1.26 -5.02 135.00 139.20 1xgr s PRO 95 Ca 0.20 1.68 -0.22 0.00 0.04 0.00 0.00 61.00 62.70 1xgr s PRO 95 Cb -0.14 -2.83 -0.05 0.00 0.04 0.00 0.00 34.50 31.52 1xgr s PRO 95 CO 0.08 -0.02 1.34 0.71 0.04 0.00 0.00 177.00 179.15 1xgr s TYR 96 N -1.42 2.34 0.04 0.56 4.12 -1.19 -4.76 117.35 117.04 1xgr s TYR 96 Ca 0.52 1.39 0.02 0.00 0.02 0.00 0.00 57.07 59.02 1xgr s TYR 96 Cb -0.27 -3.76 -0.03 0.00 -1.52 0.00 0.00 41.96 36.38 1xgr s TYR 96 CO 0.35 -2.77 -0.07 0.95 0.02 0.00 0.00 175.55 174.03 1xgr s THR 97 N -1.33 0.47 0.17 -0.71 -4.23 -1.20 -4.99 115.64 103.83 1xgr s THR 97 Ca 0.71 -1.17 0.07 0.00 -1.18 0.00 0.00 61.69 60.13 1xgr s THR 97 Cb -0.39 -0.69 -0.04 0.00 1.34 0.00 0.00 72.50 72.72 1xgr s THR 97 CO 0.47 -0.48 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.69 1xgr s PHE 98 N -1.72 2.81 0.81 3.99 0.40 -1.26 -1.27 117.98 121.74 1xgr s PHE 98 Ca -0.08 -0.15 -0.10 0.00 -0.60 0.00 0.00 56.93 56.00 1xgr s PHE 98 Cb -0.08 -1.37 0.11 0.00 0.51 0.00 0.00 43.02 42.19 1xgr s PHE 98 CO -0.01 0.51 1.15 0.20 0.70 0.00 0.00 175.22 177.77 1xgr s GLY 99 N -2.87 1.68 0.00 4.36 0.00 0.41 -4.56 107.32 106.35 1xgr s GLY 99 Ca 0.27 -0.95 0.18 0.00 0.00 0.00 0.00 44.72 44.22 1xgr s GLY 99 CO 0.18 -0.42 1.58 0.61 0.00 0.00 0.00 173.10 175.05 1xgr n GLY 100 N -3.27 -1.13 0.00 0.20 0.00 -1.25 -4.69 105.19 95.06 1xgr n GLY 100 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1xgr n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xgr n GLY 101 N 0.37 -1.57 3.20 -0.02 0.00 -1.26 -5.02 105.19 100.89 1xgr n GLY 101 Ca 0.04 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 1xgr n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xgr s THR 102 N -3.34 1.80 -0.20 2.61 2.01 0.10 -4.75 115.64 113.88 1xgr s THR 102 Ca 0.00 -0.92 -0.16 0.00 0.31 0.00 0.00 61.69 60.93 1xgr s THR 102 Cb 0.00 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 1xgr s THR 102 CO 0.00 0.51 0.39 -0.75 -0.69 0.00 0.00 174.62 174.08 1xgr s LYS 103 N 0.02 4.19 -0.42 4.92 2.20 0.68 -0.70 119.74 130.62 1xgr s LYS 103 Ca -0.06 0.20 -0.16 0.00 -0.36 0.00 0.00 55.97 55.59 1xgr s LYS 103 Cb -0.14 -3.53 0.03 0.00 -1.51 0.00 0.00 37.83 32.69 1xgr s LYS 103 CO 0.04 -0.01 0.36 -1.17 -0.36 0.00 0.00 175.35 174.20 1xgr s LEU 104 N 1.23 5.11 0.28 5.43 0.20 0.20 -0.04 118.68 131.08 1xgr s LEU 104 Ca 0.19 -0.90 0.10 0.00 0.69 0.00 0.00 54.13 54.21 1xgr s LEU 104 Cb -0.15 -2.23 -0.04 0.00 -0.43 0.00 0.00 46.19 43.34 1xgr s LEU 104 CO 0.08 -0.52 -0.01 -1.61 -0.29 0.00 0.00 176.35 174.00 1xgr s GLU 105 N 1.82 2.24 0.01 1.98 2.02 0.68 -1.50 118.70 125.96 1xgr s GLU 105 Ca 0.07 -1.47 -0.26 0.00 0.02 0.00 0.00 54.97 53.33 1xgr s GLU 105 Cb -0.19 -2.12 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 1xgr s GLU 105 CO 0.11 0.33 0.80 0.42 0.02 0.00 0.00 175.26 176.94 1xgr s ILE 106 N -2.36 4.84 0.10 -1.63 1.01 -1.26 -0.88 121.20 121.02 1xgr s ILE 106 Ca 0.32 1.70 -0.21 0.00 0.00 0.00 0.00 60.65 62.45 1xgr s ILE 106 Cb -0.06 -4.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.19 1xgr s ILE 106 CO 0.20 0.29 0.63 -0.75 0.00 0.00 0.00 174.94 175.30 1xgr s LYS 107 N 0.42 4.32 0.36 2.79 2.47 0.25 -4.72 119.74 125.63 1xgr s LYS 107 Ca 0.42 0.87 -0.09 0.00 -1.56 0.00 0.00 55.97 55.60 1xgr s LYS 107 Cb -0.20 -3.25 0.03 0.00 -1.46 0.00 0.00 37.83 32.95 1xgr s LYS 107 CO 0.23 0.62 0.63 -0.98 0.16 0.00 0.00 175.35 176.01 1xgr s ARG 108 N -1.11 2.05 0.41 4.03 1.70 -1.26 -4.76 118.95 120.02 1xgr s ARG 108 Ca 0.31 -1.57 -0.25 0.00 -0.47 0.00 0.00 55.73 53.75 1xgr s ARG 108 Cb -0.21 0.54 -0.08 0.00 -0.57 0.00 0.00 34.95 34.63 1xgr s ARG 108 CO 0.21 -0.91 1.20 0.00 -1.08 0.00 0.00 175.30 174.72 1xgr s ALA 109 N -2.75 3.15 0.56 7.88 0.00 -1.26 -4.95 121.76 124.39 1xgr s ALA 109 Ca 0.23 1.02 -0.21 0.00 0.00 0.00 0.00 51.96 53.00 1xgr s ALA 109 Cb -0.03 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1xgr s ALA 109 CO 0.15 -0.62 1.30 -0.25 0.00 0.00 0.00 175.76 176.35 1xgr n ASP 110 N 0.01 2.35 -3.74 0.00 8.00 -1.26 -4.81 116.55 117.10 1xgr n ASP 110 Ca 0.05 0.94 -0.13 0.00 0.71 0.00 0.00 54.79 56.36 1xgr n ASP 110 Cb 0.46 -1.55 -0.14 0.00 -0.02 0.00 0.00 41.12 39.88 1xgr n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xgr s ALA 111 N -1.32 -0.46 0.51 2.24 0.00 0.15 -4.89 121.76 117.99 1xgr s ALA 111 Ca 0.74 0.89 -0.19 0.00 0.00 0.00 0.00 51.96 53.39 1xgr s ALA 111 Cb -0.42 -0.57 -0.08 0.00 0.00 0.00 0.00 23.12 22.06 1xgr s ALA 111 CO 0.48 -0.18 1.03 0.00 0.00 0.00 0.00 175.76 177.08 1xgr s ALA 112 N 1.21 2.88 0.46 0.00 0.00 -1.26 -0.72 121.76 124.33 1xgr s ALA 112 Ca -0.09 0.48 -0.21 0.00 0.00 0.00 0.00 51.96 52.14 1xgr s ALA 112 Cb -0.11 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 1xgr s ALA 112 CO -0.08 -0.36 1.02 -1.25 0.00 0.00 0.00 175.76 175.09 1xgr s PRO 113 N -3.52 3.94 -0.41 0.00 0.04 -1.26 -4.50 135.00 129.29 1xgr s PRO 113 Ca 0.65 1.33 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 1xgr s PRO 113 Cb -0.15 -2.17 0.02 0.00 0.04 0.00 0.00 34.50 32.25 1xgr s PRO 113 CO 0.24 -0.31 0.35 0.99 0.04 0.00 0.00 177.00 178.31 1xgr s THR 114 N -1.98 5.20 -0.19 1.26 2.01 -0.54 -4.87 115.64 116.53 1xgr s THR 114 Ca 0.65 -0.54 -0.09 0.00 0.31 0.00 0.00 61.69 62.02 1xgr s THR 114 Cb -0.15 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 1xgr s THR 114 CO 0.19 -0.35 0.10 -0.69 -0.69 0.00 0.00 174.62 173.19 1xgr s VAL 115 N 1.85 5.15 -0.01 3.82 1.01 -1.26 -1.46 120.40 129.51 1xgr s VAL 115 Ca 0.08 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1xgr s VAL 115 Cb -0.18 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1xgr s VAL 115 CO 0.11 0.46 -0.10 -0.44 0.00 0.00 0.00 175.10 175.14 1xgr s SER 116 N 0.28 1.14 0.07 3.32 0.01 -0.30 -4.98 113.70 113.24 1xgr s SER 116 Ca 0.06 -0.18 0.08 0.00 1.31 0.00 0.00 55.95 57.23 1xgr s SER 116 Cb -0.12 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 65.92 1xgr s SER 116 CO -0.01 0.11 -0.21 -0.51 0.41 0.00 0.00 173.24 173.03 1xgr s ILE 117 N -0.16 2.59 -0.04 1.44 2.07 -1.26 -0.64 121.20 125.20 1xgr s ILE 117 Ca 0.03 -1.37 0.01 0.00 -1.41 0.00 0.00 60.65 57.91 1xgr s ILE 117 Cb -0.04 -2.10 0.02 0.00 0.13 0.00 0.00 42.46 40.47 1xgr s ILE 117 CO -0.00 0.27 -0.02 -0.36 -1.91 0.00 0.00 174.94 172.91 1xgr s PHE 118 N -0.96 0.55 0.82 3.50 0.40 0.32 -4.98 117.98 117.64 1xgr s PHE 118 Ca 0.15 -0.11 -0.12 0.00 -0.60 0.00 0.00 56.93 56.25 1xgr s PHE 118 Cb -0.10 -0.57 0.08 0.00 0.51 0.00 0.00 43.02 42.94 1xgr s PHE 118 CO 0.06 -0.17 1.11 -2.14 0.70 0.00 0.00 175.22 174.77 1xgr s PRO 119 N 1.04 1.91 0.47 0.24 0.02 -1.26 -1.11 135.00 136.31 1xgr s PRO 119 Ca -0.09 0.51 -0.24 0.00 0.02 0.00 0.00 61.00 61.20 1xgr s PRO 119 Cb -0.14 -1.91 -0.07 0.00 0.02 0.00 0.00 34.50 32.40 1xgr s PRO 119 CO -0.01 -1.72 1.40 -2.14 -0.33 0.00 0.00 177.00 174.20 1xgr s PRO 120 N -5.22 3.57 0.78 5.54 0.02 -1.21 -4.80 135.00 133.68 1xgr s PRO 120 Ca 0.61 2.34 -0.12 0.00 0.02 0.00 0.00 61.00 63.86 1xgr s PRO 120 Cb -0.14 -2.56 0.06 0.00 0.02 0.00 0.00 34.50 31.88 1xgr s PRO 120 CO 0.54 -0.88 1.10 -1.54 -0.33 0.00 0.00 177.00 175.89 1xgr s SER 121 N -0.65 4.71 0.21 2.53 1.04 -1.26 -4.93 113.70 115.35 1xgr s SER 121 Ca 0.63 1.22 -0.06 0.00 0.48 0.00 0.00 55.95 58.21 1xgr s SER 121 Cb -0.42 -1.95 0.16 0.00 0.10 0.00 0.00 66.02 63.91 1xgr s SER 121 CO 0.53 -1.82 1.68 0.28 0.98 0.00 0.00 173.24 174.89 1xgr h SER 122 N -0.98 0.95 -0.41 7.02 0.02 -2.00 -2.76 113.55 115.39 1xgr h SER 122 Ca -0.47 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.22 1xgr h SER 122 Cb 1.27 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 1xgr h SER 122 CO 0.61 1.01 0.27 -0.33 -1.14 0.00 0.00 176.83 177.25 1xgr h GLU 123 N 0.89 0.54 -0.57 3.45 3.07 -1.99 -2.02 114.58 117.95 1xgr h GLU 123 Ca 0.16 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.90 1xgr h GLU 123 Cb 0.54 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1xgr h GLU 123 CO 0.03 0.37 0.03 0.37 -1.40 0.00 0.00 179.01 178.40 1xgr h GLN 124 N 0.55 0.98 -0.75 2.33 4.15 -1.85 -2.63 115.11 117.89 1xgr h GLN 124 Ca 0.15 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.27 1xgr h GLN 124 Cb -0.05 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.50 1xgr h GLN 124 CO -0.03 0.97 0.48 -0.07 -1.93 0.00 0.00 178.83 178.25 1xgr h LEU 125 N 0.87 0.87 -1.10 -2.39 3.38 -1.28 -0.74 115.31 114.91 1xgr h LEU 125 Ca 0.16 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1xgr h LEU 125 Cb 0.51 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1xgr h LEU 125 CO 0.02 0.64 0.39 0.74 0.09 0.00 0.00 178.44 180.32 1xgr h THR 126 N 1.02 1.22 0.00 0.22 2.02 -1.07 0.55 112.91 116.87 1xgr h THR 126 Ca 0.27 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1xgr h THR 126 Cb -0.10 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 1xgr h THR 126 CO -0.06 0.25 0.00 -1.54 0.37 0.00 0.00 175.52 174.54 1xgr n SER 127 N -4.35 0.00 0.00 4.18 3.41 -0.47 -4.88 113.62 111.52 1xgr n SER 127 Ca 0.07 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 1xgr n SER 127 Cb 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1xgr n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xgr n GLY 128 N 0.89 0.57 3.61 5.00 0.00 0.18 -5.06 105.19 110.40 1xgr n GLY 128 Ca 0.20 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 1xgr n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xgr s GLY 129 N -2.55 2.41 -0.29 -0.02 0.00 -0.41 -2.23 107.32 104.22 1xgr s GLY 129 Ca 0.00 -2.23 0.03 0.00 0.00 0.00 0.00 44.72 42.52 1xgr s GLY 129 CO 0.00 -2.06 0.54 0.00 0.00 0.00 0.00 173.10 171.57 1xgr s ALA 130 N -2.67 -2.02 -0.16 3.20 0.00 -0.49 -2.99 121.76 116.63 1xgr s ALA 130 Ca 0.35 0.99 -0.03 0.00 0.00 0.00 0.00 51.96 53.27 1xgr s ALA 130 Cb 0.07 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.86 1xgr s ALA 130 CO 0.18 -1.69 -0.06 -1.12 0.00 0.00 0.00 175.76 173.07 1xgr s SER 131 N 2.75 4.48 -0.23 0.00 0.01 -1.26 0.43 113.70 119.88 1xgr s SER 131 Ca 0.12 -0.24 -0.08 0.00 1.31 0.00 0.00 55.95 57.06 1xgr s SER 131 Cb -0.12 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.34 1xgr s SER 131 CO -0.25 0.13 0.10 -0.69 0.41 0.00 0.00 173.24 172.93 1xgr s VAL 132 N 0.61 4.78 -0.08 3.43 1.01 0.13 -3.33 120.40 126.94 1xgr s VAL 132 Ca -0.04 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1xgr s VAL 132 Cb -0.15 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1xgr s VAL 132 CO 0.03 0.36 -0.09 -0.69 0.00 0.00 0.00 175.10 174.70 1xgr s VAL 133 N 1.17 3.46 -0.09 2.92 1.01 -0.27 -1.02 120.40 127.58 1xgr s VAL 133 Ca 0.05 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 1xgr s VAL 133 Cb -0.14 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.84 1xgr s VAL 133 CO 0.04 0.57 -0.07 0.00 0.00 0.00 0.00 175.10 175.65 1xgr s PHE 135 N 1.56 3.24 -0.32 0.00 0.08 0.19 -0.58 117.98 122.15 1xgr s PHE 135 Ca 0.01 0.18 0.02 0.00 0.12 0.00 0.00 56.93 57.25 1xgr s PHE 135 Cb -0.13 -1.90 0.10 0.00 -0.57 0.00 0.00 43.02 40.52 1xgr s PHE 135 CO -0.06 0.39 0.06 -0.51 -0.10 0.00 0.00 175.22 175.01 1xgr s LEU 136 N -0.48 3.45 0.12 -0.37 1.02 0.07 -1.15 118.68 121.33 1xgr s LEU 136 Ca 0.09 -1.85 0.05 0.00 0.02 0.00 0.00 54.13 52.45 1xgr s LEU 136 Cb -0.12 -1.25 -0.04 0.00 0.02 0.00 0.00 46.19 44.81 1xgr s LEU 136 CO 0.02 -0.39 0.05 0.20 0.02 0.00 0.00 176.35 176.25 1xgr s ASN 137 N 1.27 5.20 -1.21 2.29 0.01 -0.53 -0.52 114.94 121.44 1xgr s ASN 137 Ca 0.09 -0.17 -0.24 0.00 -0.71 0.00 0.00 52.86 51.83 1xgr s ASN 137 Cb -0.18 -1.28 0.01 0.00 0.41 0.00 0.00 41.25 40.21 1xgr s ASN 137 CO -0.16 0.13 0.69 0.59 -1.51 0.00 0.00 177.10 176.84 1xgr n ASN 138 N 0.21 -4.18 -4.68 -1.22 4.13 -0.92 -1.47 115.26 107.13 1xgr n ASN 138 Ca -0.10 -1.15 -0.24 0.00 1.68 0.00 0.00 54.58 54.78 1xgr n ASN 138 Cb 0.53 -2.58 -0.07 0.00 -1.54 0.00 0.00 39.78 36.12 1xgr n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1xgr s PHE 139 N -3.57 2.63 -0.28 3.10 -0.71 0.03 -4.61 117.98 114.57 1xgr s PHE 139 Ca 0.43 -0.42 -0.22 0.00 -1.04 0.00 0.00 56.93 55.69 1xgr s PHE 139 Cb -0.19 -1.58 0.10 0.00 -1.21 0.00 0.00 43.02 40.14 1xgr s PHE 139 CO 0.92 0.40 0.84 -0.47 -1.34 0.00 0.00 175.22 175.57 1xgr s TYR 140 N -2.48 -0.73 1.27 3.49 6.14 0.10 -0.59 117.35 124.55 1xgr s TYR 140 Ca 0.36 1.64 -0.21 0.00 0.64 0.00 0.00 57.07 59.50 1xgr s TYR 140 Cb -0.01 0.39 0.32 0.00 0.42 0.00 0.00 41.96 43.08 1xgr s TYR 140 CO 0.21 -0.36 1.09 -0.35 0.64 0.00 0.00 175.55 176.78 1xgr n PRO 141 N 3.07 -3.33 0.18 4.97 -0.04 -1.26 0.35 135.00 138.94 1xgr n PRO 141 Ca -0.16 -1.74 0.03 0.00 -0.04 0.00 0.00 63.50 61.59 1xgr n PRO 141 Cb 0.57 -1.68 0.34 0.00 -0.04 0.00 0.00 33.50 32.69 1xgr n PRO 141 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1xgr h LYS 142 N 0.00 0.00 -6.46 0.54 1.63 -1.98 -3.44 116.57 106.86 1xgr h LYS 142 Ca -0.41 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 58.85 1xgr h LYS 142 Cb 1.28 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.93 1xgr h LYS 142 CO 0.27 0.41 1.05 0.16 -3.45 0.00 0.00 179.45 177.89 1xgr s ASP 143 N -6.79 6.54 -0.22 4.20 -4.77 -1.26 -4.97 116.67 109.39 1xgr s ASP 143 Ca -0.02 2.58 -0.27 0.00 -3.30 0.00 0.00 52.55 51.54 1xgr s ASP 143 Cb 0.13 -2.56 0.09 0.00 -1.09 0.00 0.00 42.92 39.49 1xgr s ASP 143 CO 0.72 -0.94 0.83 -0.51 0.70 0.00 0.00 175.17 175.97 1xgr s ILE 144 N 2.83 0.00 -0.13 2.11 2.07 -1.26 -4.55 121.20 122.26 1xgr s ILE 144 Ca 0.77 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 60.00 1xgr s ILE 144 Cb -0.42 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.15 1xgr s ILE 144 CO 0.34 0.00 -0.10 0.21 -1.91 0.00 0.00 174.94 173.48 1xgr s ASN 145 N -0.08 4.24 -0.15 4.50 3.84 -0.33 -4.97 114.94 121.99 1xgr s ASN 145 Ca -0.01 -0.26 0.02 0.00 0.21 0.00 0.00 52.86 52.82 1xgr s ASN 145 Cb -0.04 -1.61 0.01 0.00 -0.55 0.00 0.00 41.25 39.06 1xgr s ASN 145 CO 0.01 0.18 -0.21 0.54 -2.79 0.00 0.00 177.10 174.83 1xgr s VAL 146 N 0.27 2.10 -0.06 -5.21 0.11 -1.26 -0.16 120.40 116.20 1xgr s VAL 146 Ca -0.08 -0.96 0.05 0.00 -2.93 0.00 0.00 61.98 58.06 1xgr s VAL 146 Cb -0.15 -1.85 -0.00 0.00 -1.53 0.00 0.00 36.38 32.85 1xgr s VAL 146 CO 0.05 0.55 -0.20 -0.75 -3.33 0.00 0.00 175.10 171.41 1xgr s LYS 147 N 0.90 2.14 0.01 1.54 2.20 0.57 -4.96 119.74 122.15 1xgr s LYS 147 Ca -0.05 -0.71 -0.00 0.00 -0.36 0.00 0.00 55.97 54.85 1xgr s LYS 147 Cb -0.15 -1.80 -0.04 0.00 -1.51 0.00 0.00 37.83 34.33 1xgr s LYS 147 CO -0.04 0.26 0.11 -1.58 -0.36 0.00 0.00 175.35 173.74 1xgr s TRP 148 N 0.07 3.35 -0.02 4.03 0.52 -1.26 -0.09 118.94 125.54 1xgr s TRP 148 Ca -0.06 0.22 0.01 0.00 0.02 0.00 0.00 56.10 56.29 1xgr s TRP 148 Cb -0.13 -1.74 0.01 0.00 -1.15 0.00 0.00 33.47 30.46 1xgr s TRP 148 CO 0.04 0.57 -0.02 0.15 0.02 0.00 0.00 176.95 177.70 1xgr s LYS 149 N -1.94 0.37 -0.18 4.98 1.02 -0.54 -0.56 119.74 122.89 1xgr s LYS 149 Ca 0.26 -0.04 0.01 0.00 0.02 0.00 0.00 55.97 56.22 1xgr s LYS 149 Cb -0.12 -0.44 0.02 0.00 -0.52 0.00 0.00 37.83 36.77 1xgr s LYS 149 CO 0.17 -0.03 -0.19 0.42 -0.92 0.00 0.00 175.35 174.80 1xgr s ILE 150 N 0.52 2.02 -1.51 2.17 1.01 0.38 -1.10 121.20 124.70 1xgr s ILE 150 Ca -0.05 -0.96 -0.12 0.00 0.00 0.00 0.00 60.65 59.52 1xgr s ILE 150 Cb -0.09 -1.85 0.08 0.00 0.01 0.00 0.00 42.46 40.61 1xgr s ILE 150 CO -0.01 0.49 0.92 0.47 0.00 0.00 0.00 174.94 176.81 1xgr n ASP 151 N 4.62 -4.08 0.00 3.58 8.00 -0.24 -1.20 116.55 127.23 1xgr n ASP 151 Ca -0.20 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1xgr n ASP 151 Cb 0.49 -3.82 0.00 0.00 -0.02 0.00 0.00 41.12 37.78 1xgr n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xgr n GLY 152 N -1.67 0.96 3.52 0.44 0.00 -1.26 -5.02 105.19 102.15 1xgr n GLY 152 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1xgr n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xgr s SER 153 N -2.94 4.87 0.32 1.61 0.01 -0.34 -5.04 113.70 112.20 1xgr s SER 153 Ca 0.00 -0.10 -0.29 0.00 1.31 0.00 0.00 55.95 56.87 1xgr s SER 153 Cb 0.00 -1.78 -0.12 0.00 0.21 0.00 0.00 66.02 64.33 1xgr s SER 153 CO 0.00 0.18 1.48 1.21 0.41 0.00 0.00 173.24 176.52 1xgr n GLU 154 N 3.47 2.50 -4.58 12.44 2.13 -1.26 -0.47 120.64 134.86 1xgr n GLU 154 Ca -0.17 0.88 -0.27 0.00 0.66 0.00 0.00 57.16 58.26 1xgr n GLU 154 Cb 0.52 -2.59 -0.17 0.00 0.27 0.00 0.00 31.44 29.48 1xgr n GLU 154 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1xgr s ARG 155 N -1.29 2.02 -0.08 5.31 6.06 0.27 -4.84 118.95 126.40 1xgr s ARG 155 Ca 0.59 -0.51 0.01 0.00 -2.50 0.00 0.00 55.73 53.32 1xgr s ARG 155 Cb -0.52 -1.68 -0.06 0.00 0.06 0.00 0.00 34.95 32.75 1xgr s ARG 155 CO 0.56 0.00 -0.07 1.04 -2.50 0.00 0.00 175.30 174.33 1xgr n GLN 156 N 3.97 0.29 -2.20 5.12 6.02 -1.26 -4.18 117.38 125.14 1xgr n GLN 156 Ca -0.21 0.05 -0.41 0.00 -0.01 0.00 0.00 57.00 56.43 1xgr n GLN 156 Cb 0.52 -1.17 -0.03 0.00 1.02 0.00 0.00 30.24 30.58 1xgr n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1xgr s ASN 157 N -4.79 6.89 0.00 1.08 -0.87 -1.26 -2.95 114.94 113.05 1xgr s ASN 157 Ca -0.11 2.58 0.00 0.00 -1.57 0.00 0.00 52.86 53.76 1xgr s ASN 157 Cb 0.03 -2.64 0.00 0.00 -0.02 0.00 0.00 41.25 38.62 1xgr s ASN 157 CO 0.20 -0.44 0.00 0.61 -2.57 0.00 0.00 177.10 174.89 1xgr n GLY 158 N 0.98 0.79 3.71 0.66 0.00 -1.26 -4.87 105.19 105.21 1xgr n GLY 158 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1xgr n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xgr s VAL 159 N -3.18 5.29 -0.04 1.61 1.01 -1.15 -0.61 120.40 123.33 1xgr s VAL 159 Ca 0.00 0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.57 1xgr s VAL 159 Cb 0.00 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1xgr s VAL 159 CO 0.00 0.36 -0.11 -0.76 0.00 0.00 0.00 175.10 174.59 1xgr s LEU 160 N 0.67 1.70 0.18 3.92 1.43 0.06 -4.98 118.68 121.65 1xgr s LEU 160 Ca 0.17 -0.24 0.09 0.00 -1.03 0.00 0.00 54.13 53.12 1xgr s LEU 160 Cb -0.13 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1xgr s LEU 160 CO 0.05 0.05 -0.13 0.20 0.23 0.00 0.00 176.35 176.74 1xgr s ASN 161 N 0.43 4.04 -0.02 2.29 0.01 -1.26 -0.79 114.94 119.64 1xgr s ASN 161 Ca -0.08 -0.64 -0.02 0.00 -0.71 0.00 0.00 52.86 51.41 1xgr s ASN 161 Cb -0.12 -0.60 0.01 0.00 0.41 0.00 0.00 41.25 40.94 1xgr s ASN 161 CO 0.02 0.11 0.05 -0.55 -1.51 0.00 0.00 177.10 175.23 1xgr s SER 162 N -2.73 -0.04 0.03 -1.22 0.15 -0.30 -5.01 113.70 104.57 1xgr s SER 162 Ca 0.23 0.11 0.07 0.00 0.70 0.00 0.00 55.95 57.06 1xgr s SER 162 Cb -0.09 0.09 -0.02 0.00 -1.71 0.00 0.00 66.02 64.29 1xgr s SER 162 CO 0.14 -0.04 -0.20 0.26 1.20 0.00 0.00 173.24 174.60 1xgr s TRP 163 N 0.20 1.76 0.42 3.44 0.51 -1.26 -0.78 118.94 123.23 1xgr s TRP 163 Ca -0.01 -0.36 -0.00 0.00 -2.12 0.00 0.00 56.10 53.60 1xgr s TRP 163 Cb -0.02 -1.08 -0.02 0.00 -0.81 0.00 0.00 33.47 31.55 1xgr s TRP 163 CO -0.01 0.05 0.64 0.95 -0.51 0.00 0.00 176.95 178.08 1xgr s THR 164 N -0.70 4.41 0.86 2.01 -4.23 -0.77 -5.02 115.64 112.20 1xgr s THR 164 Ca 0.07 -0.43 -0.12 0.00 -1.18 0.00 0.00 61.69 60.03 1xgr s THR 164 Cb -0.08 -3.63 0.10 0.00 1.34 0.00 0.00 72.50 70.23 1xgr s THR 164 CO 0.01 -0.45 1.13 -1.81 -0.54 0.00 0.00 174.62 172.97 1xgr s ASP 165 N -4.15 4.02 0.00 3.99 1.01 -1.26 -4.56 116.67 115.72 1xgr s ASP 165 Ca 0.46 1.02 -0.35 0.00 0.71 0.00 0.00 52.55 54.39 1xgr s ASP 165 Cb -0.10 -1.63 -0.13 0.00 1.01 0.00 0.00 42.92 42.07 1xgr s ASP 165 CO 0.38 -2.23 1.73 1.67 0.21 0.00 0.00 175.17 176.93 1xgr n GLN 166 N -3.57 2.06 -1.69 8.23 7.27 -1.26 -4.73 117.38 123.68 1xgr n GLN 166 Ca 0.07 0.75 -0.42 0.00 0.07 0.00 0.00 57.00 57.47 1xgr n GLN 166 Cb 0.59 -2.55 -0.03 0.00 2.41 0.00 0.00 30.24 30.66 1xgr n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1xgr s ASP 167 N 2.68 6.42 0.55 1.69 3.68 0.12 -4.89 116.67 126.92 1xgr s ASP 167 Ca 0.87 2.75 0.31 0.00 2.13 0.00 0.00 52.55 58.61 1xgr s ASP 167 Cb -0.72 -2.56 1.56 0.00 -1.45 0.00 0.00 42.92 39.75 1xgr s ASP 167 CO 0.47 -1.02 2.09 0.77 0.13 0.00 0.00 175.17 177.61 1xgr h SER 168 N 9.11 0.00 0.03 -0.34 4.64 -1.89 0.34 113.55 125.45 1xgr h SER 168 Ca -0.47 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.66 1xgr h SER 168 Cb 1.22 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.33 1xgr h SER 168 CO 0.95 0.09 -0.75 0.11 -0.87 0.00 0.00 176.83 176.36 1xgr h LYS 169 N 0.00 0.46 0.00 4.77 1.57 -1.96 -3.41 116.57 118.00 1xgr h LYS 169 Ca -0.00 -0.53 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1xgr h LYS 169 Cb 0.33 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1xgr h LYS 169 CO 0.01 1.18 -0.09 -0.40 -0.57 0.00 0.00 179.45 179.58 1xgr n ASP 170 N -4.12 0.23 -1.91 0.86 5.68 -1.20 -5.02 116.55 111.07 1xgr n ASP 170 Ca -0.11 -1.31 -0.21 0.00 -0.50 0.00 0.00 54.79 52.66 1xgr n ASP 170 Cb 0.75 -0.04 -0.06 0.00 -1.14 0.00 0.00 41.12 40.62 1xgr n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1xgr n SER 171 N -0.08 -5.69 -5.01 -1.12 7.64 0.12 -4.98 113.62 104.50 1xgr n SER 171 Ca 0.00 0.31 -0.19 0.00 1.01 0.00 0.00 58.87 60.00 1xgr n SER 171 Cb 0.52 -4.90 0.04 0.00 -1.01 0.00 0.00 64.21 58.85 1xgr n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1xgr s THR 172 N -2.88 2.39 0.22 0.44 -4.23 -1.26 -4.65 115.64 105.67 1xgr s THR 172 Ca 0.00 -1.05 0.11 0.00 -1.18 0.00 0.00 61.69 59.58 1xgr s THR 172 Cb 0.00 -2.43 -0.05 0.00 1.34 0.00 0.00 72.50 71.36 1xgr s THR 172 CO 0.00 0.00 -0.22 -0.31 -0.54 0.00 0.00 174.62 173.55 1xgr s TYR 173 N -2.57 2.32 0.07 3.99 2.02 0.25 0.16 117.35 123.58 1xgr s TYR 173 Ca 0.58 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.94 1xgr s TYR 173 Cb -0.07 -1.10 -0.04 0.00 -0.40 0.00 0.00 41.96 40.36 1xgr s TYR 173 CO 0.36 0.58 -0.05 -1.12 -1.57 0.00 0.00 175.55 173.74 1xgr s SER 174 N -2.98 0.78 -0.04 2.29 0.01 -1.26 -0.79 113.70 111.71 1xgr s SER 174 Ca 0.24 -0.91 -0.22 0.00 1.31 0.00 0.00 55.95 56.37 1xgr s SER 174 Cb -0.07 0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.34 1xgr s SER 174 CO 0.12 -0.48 0.48 -0.32 0.41 0.00 0.00 173.24 173.46 1xgr s MET 175 N -3.42 0.84 -0.06 12.44 0.00 0.32 -1.85 119.30 127.58 1xgr s MET 175 Ca 0.05 0.04 0.05 0.00 0.00 0.00 0.00 55.69 55.83 1xgr s MET 175 Cb 0.03 0.39 -0.00 0.00 0.00 0.00 0.00 34.83 35.25 1xgr s MET 175 CO -0.06 -0.24 -0.20 -1.54 0.00 0.00 0.00 175.02 172.98 1xgr s SER 176 N -1.20 2.50 -0.12 1.11 1.04 0.04 -0.75 113.70 116.32 1xgr s SER 176 Ca -0.12 -0.42 0.02 0.00 0.48 0.00 0.00 55.95 55.91 1xgr s SER 176 Cb -0.03 -0.79 0.01 0.00 0.10 0.00 0.00 66.02 65.31 1xgr s SER 176 CO 0.07 0.17 -0.19 -0.55 0.98 0.00 0.00 173.24 173.72 1xgr s SER 177 N 0.07 2.75 -0.11 7.02 0.15 0.25 -1.15 113.70 122.68 1xgr s SER 177 Ca -0.07 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.10 1xgr s SER 177 Cb -0.13 -1.25 0.01 0.00 -1.71 0.00 0.00 66.02 62.94 1xgr s SER 177 CO 0.04 0.05 -0.16 -0.89 1.20 0.00 0.00 173.24 173.48 1xgr s THR 178 N 0.86 1.56 -0.33 6.45 2.01 0.03 -1.08 115.64 125.15 1xgr s THR 178 Ca -0.08 -0.68 -0.11 0.00 0.31 0.00 0.00 61.69 61.13 1xgr s THR 178 Cb -0.15 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 70.93 1xgr s THR 178 CO -0.01 0.45 0.20 -0.22 -0.69 0.00 0.00 174.62 174.35 1xgr s LEU 179 N 0.93 4.35 -0.17 4.42 2.96 -0.19 -0.76 118.68 130.22 1xgr s LEU 179 Ca -0.07 -0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 53.25 1xgr s LEU 179 Cb -0.15 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 1xgr s LEU 179 CO -0.01 -0.23 0.00 -0.89 -1.32 0.00 0.00 176.35 173.90 1xgr s THR 180 N 1.65 4.20 0.39 3.68 2.01 0.22 0.17 115.64 127.97 1xgr s THR 180 Ca 0.05 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 61.85 1xgr s THR 180 Cb -0.17 -2.87 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 1xgr s THR 180 CO 0.08 0.47 0.17 -0.76 -0.69 0.00 0.00 174.62 173.89 1xgr s LEU 181 N 0.49 1.91 0.60 4.42 1.43 0.17 -4.67 118.68 123.04 1xgr s LEU 181 Ca -0.01 -1.70 -0.01 0.00 -1.03 0.00 0.00 54.13 51.38 1xgr s LEU 181 Cb -0.14 0.08 0.04 0.00 0.03 0.00 0.00 46.19 46.20 1xgr s LEU 181 CO 0.02 -0.97 0.85 0.42 0.23 0.00 0.00 176.35 176.90 1xgr s THR 182 N -3.28 2.53 0.30 5.49 -4.23 -1.26 -1.40 115.64 113.79 1xgr s THR 182 Ca 0.28 -0.54 0.04 0.00 -1.18 0.00 0.00 61.69 60.29 1xgr s THR 182 Cb 0.02 -2.99 0.09 0.00 1.34 0.00 0.00 72.50 70.96 1xgr s THR 182 CO 0.18 0.00 1.76 0.50 -0.54 0.00 0.00 174.62 176.52 1xgr h LYS 183 N -0.15 0.46 -0.30 3.99 3.64 -1.64 -1.53 116.57 121.03 1xgr h LYS 183 Ca -0.43 -0.15 -0.15 0.00 -1.27 0.00 0.00 60.65 58.65 1xgr h LYS 183 Cb 1.30 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 1xgr h LYS 183 CO 0.54 0.64 -0.43 -0.44 -2.27 0.00 0.00 179.45 177.50 1xgr h ASP 184 N 0.41 0.82 -0.10 4.20 3.45 -1.94 -1.53 116.42 121.74 1xgr h ASP 184 Ca 0.07 -0.39 -0.02 0.00 0.43 0.00 0.00 57.03 57.13 1xgr h ASP 184 Cb 0.59 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 39.13 1xgr h ASP 184 CO 0.04 1.13 0.00 -0.33 -1.57 0.00 0.00 179.24 178.52 1xgr h GLU 185 N 0.62 0.17 -0.26 3.56 5.08 -1.88 -2.82 114.58 119.05 1xgr h GLU 185 Ca 0.04 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1xgr h GLU 185 Cb 0.99 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 1xgr h GLU 185 CO 0.09 0.43 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.55 1xgr h TYR 186 N -0.10 -0.13 0.00 4.33 3.20 -1.22 -1.94 116.97 121.10 1xgr h TYR 186 Ca 0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1xgr h TYR 186 Cb 0.35 0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.72 1xgr h TYR 186 CO 0.03 -0.11 0.00 0.39 -1.64 0.00 0.00 178.16 176.84 1xgr n GLU 187 N -5.22 0.38 0.05 1.82 1.02 -0.58 -2.46 120.64 115.65 1xgr n GLU 187 Ca -0.01 0.07 0.12 0.00 -0.02 0.00 0.00 57.16 57.33 1xgr n GLU 187 Cb 0.15 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 30.31 1xgr n GLU 187 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1xgr n ARG 188 N -1.20 0.22 -4.55 3.49 1.74 -0.73 -4.94 116.66 110.70 1xgr n ARG 188 Ca 0.11 0.09 -0.25 0.00 -0.77 0.00 0.00 57.85 57.02 1xgr n ARG 188 Cb 0.13 -1.66 -0.11 0.00 -1.02 0.00 0.00 32.46 29.80 1xgr n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1xgr s HIS 189 N -3.12 2.31 -0.03 -1.55 3.76 -1.03 -5.11 115.29 110.53 1xgr s HIS 189 Ca 0.08 -0.71 -0.07 0.00 -0.15 0.00 0.00 55.06 54.21 1xgr s HIS 189 Cb 0.14 -1.53 -0.03 0.00 1.11 0.00 0.00 32.58 32.27 1xgr s HIS 189 CO 0.69 0.35 -0.14 -1.71 -0.85 0.00 0.00 174.74 173.08 1xgr n ASN 190 N -0.83 1.31 -4.75 1.40 5.15 -1.26 -4.72 115.26 111.56 1xgr n ASN 190 Ca -0.04 0.20 -0.37 0.00 -0.60 0.00 0.00 54.58 53.76 1xgr n ASN 190 Cb 0.66 -0.46 -0.06 0.00 -0.53 0.00 0.00 39.78 39.38 1xgr n ASN 190 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1xgr s SER 191 N -5.97 6.61 -0.13 1.20 1.04 -1.26 -1.23 113.70 113.96 1xgr s SER 191 Ca -0.12 0.72 0.02 0.00 0.48 0.00 0.00 55.95 57.04 1xgr s SER 191 Cb 0.02 -2.24 0.01 0.00 0.10 0.00 0.00 66.02 63.92 1xgr s SER 191 CO 0.18 0.10 -0.17 -0.31 0.98 0.00 0.00 173.24 174.01 1xgr s TYR 192 N 0.24 2.24 -0.03 5.02 1.51 -0.69 -1.08 117.35 124.56 1xgr s TYR 192 Ca 0.22 -1.12 0.04 0.00 -1.01 0.00 0.00 57.07 55.19 1xgr s TYR 192 Cb -0.15 -1.58 -0.00 0.00 -0.11 0.00 0.00 41.96 40.12 1xgr s TYR 192 CO 0.08 -0.56 -0.13 0.99 -1.11 0.00 0.00 175.55 174.83 1xgr s THR 193 N 1.02 1.06 -0.28 -0.71 2.01 -0.26 -2.09 115.64 116.40 1xgr s THR 193 Ca -0.05 -0.53 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 1xgr s THR 193 Cb -0.15 -0.91 0.01 0.00 0.01 0.00 0.00 72.50 71.46 1xgr s THR 193 CO -0.03 0.31 0.04 0.00 -0.69 0.00 0.00 174.62 174.24 1xgr s GLU 195 N 1.46 3.21 -0.15 0.00 2.12 0.87 -1.87 118.70 124.35 1xgr s GLU 195 Ca 0.03 -0.71 -0.03 0.00 0.36 0.00 0.00 54.97 54.61 1xgr s GLU 195 Cb -0.17 -2.81 -0.03 0.00 0.26 0.00 0.00 34.13 31.39 1xgr s GLU 195 CO 0.00 -0.19 -0.05 0.00 -0.54 0.00 0.00 175.26 174.49 1xgr s ALA 196 N 1.36 2.97 -0.21 6.30 0.00 -0.00 -0.31 121.76 131.87 1xgr s ALA 196 Ca 0.05 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 1xgr s ALA 196 Cb -0.14 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.47 1xgr s ALA 196 CO -0.07 0.24 -0.07 0.99 0.00 0.00 0.00 175.76 176.85 1xgr s THR 197 N 0.30 3.22 0.02 0.00 2.01 0.77 -0.03 115.64 121.93 1xgr s THR 197 Ca -0.04 -0.55 -0.04 0.00 0.31 0.00 0.00 61.69 61.37 1xgr s THR 197 Cb -0.14 -2.44 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 1xgr s THR 197 CO 0.03 0.45 0.06 -2.28 -0.69 0.00 0.00 174.62 172.19 1xgr s HIS 198 N 1.32 0.19 0.43 4.92 5.04 -1.26 -1.19 115.29 124.75 1xgr s HIS 198 Ca 0.04 -0.44 0.26 0.00 -1.54 0.00 0.00 55.06 53.38 1xgr s HIS 198 Cb -0.14 -0.15 1.30 0.00 0.04 0.00 0.00 32.58 33.63 1xgr s HIS 198 CO -0.03 -0.29 1.71 -0.22 -2.34 0.00 0.00 174.74 173.57 1xgr h LYS 199 N 4.14 0.21 0.00 2.88 3.64 -1.94 -1.55 116.57 123.94 1xgr h LYS 199 Ca -0.32 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1xgr h LYS 199 Cb 1.19 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1xgr h LYS 199 CO 0.45 0.14 0.00 0.25 -2.27 0.00 0.00 179.45 178.02 1xgr n THR 200 N -4.58 1.58 -3.60 1.00 -2.24 -1.26 -4.72 114.28 100.46 1xgr n THR 200 Ca 0.31 0.39 -0.11 0.00 -2.27 0.00 0.00 64.05 62.37 1xgr n THR 200 Cb 1.17 -1.37 -0.06 0.00 -2.10 0.00 0.00 70.33 67.97 1xgr n THR 200 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1xgr s SER 201 N -2.83 -0.48 0.41 3.42 1.04 -0.58 -4.99 113.70 109.69 1xgr s SER 201 Ca 0.01 0.73 0.22 0.00 0.48 0.00 0.00 55.95 57.39 1xgr s SER 201 Cb 0.01 0.67 0.39 0.00 0.10 0.00 0.00 66.02 67.19 1xgr s SER 201 CO 0.03 -0.30 1.61 0.71 0.98 0.00 0.00 173.24 176.27 1xgr h THR 202 N 3.16 0.26 -3.59 2.02 1.35 -1.84 -3.39 112.91 110.87 1xgr h THR 202 Ca -0.24 -1.28 -0.62 0.00 -0.55 0.00 0.00 66.41 63.71 1xgr h THR 202 Cb 1.16 2.06 -0.15 0.00 -1.73 0.00 0.00 68.15 69.49 1xgr h THR 202 CO 0.22 0.14 -0.50 -0.94 -0.25 0.00 0.00 175.52 174.19 1xgr s SER 203 N -6.23 6.12 0.44 5.36 1.04 -1.26 -5.05 113.70 114.12 1xgr s SER 203 Ca 0.05 0.11 -0.26 0.00 0.48 0.00 0.00 55.95 56.34 1xgr s SER 203 Cb 0.06 -2.11 -0.08 0.00 0.10 0.00 0.00 66.02 63.99 1xgr s SER 203 CO 0.68 0.06 1.43 -2.16 0.98 0.00 0.00 173.24 174.23 1xgr s PRO 204 N 1.08 3.73 0.11 4.02 0.04 -1.26 -4.92 135.00 137.79 1xgr s PRO 204 Ca 0.08 2.43 -0.30 0.00 0.04 0.00 0.00 61.00 63.24 1xgr s PRO 204 Cb -0.14 -2.69 -0.06 0.00 0.04 0.00 0.00 34.50 31.66 1xgr s PRO 204 CO 0.05 -0.79 1.12 0.42 0.04 0.00 0.00 177.00 177.84 1xgr s ILE 205 N -1.19 4.07 -0.08 0.56 1.01 0.96 -4.83 121.20 121.68 1xgr s ILE 205 Ca 0.60 1.61 0.04 0.00 0.00 0.00 0.00 60.65 62.90 1xgr s ILE 205 Cb -0.44 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.00 1xgr s ILE 205 CO 0.57 0.20 -0.21 -0.69 0.00 0.00 0.00 174.94 174.80 1xgr s VAL 206 N 0.46 1.83 -0.08 2.92 1.01 -1.26 -0.82 120.40 124.45 1xgr s VAL 206 Ca 0.54 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1xgr s VAL 206 Cb -0.28 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.53 1xgr s VAL 206 CO 0.32 0.51 -0.08 -0.54 0.00 0.00 0.00 175.10 175.30 1xgr s LYS 207 N 0.33 1.41 0.26 2.72 -0.14 -0.78 -5.02 119.74 118.52 1xgr s LYS 207 Ca -0.15 -0.26 -0.09 0.00 -1.36 0.00 0.00 55.97 54.11 1xgr s LYS 207 Cb -0.17 -1.35 -0.01 0.00 -1.68 0.00 0.00 37.83 34.63 1xgr s LYS 207 CO 0.07 -0.13 0.42 0.45 -0.76 0.00 0.00 175.35 175.40 1xgr s SER 208 N 1.19 0.17 0.09 2.83 0.15 -1.26 -0.29 113.70 116.58 1xgr s SER 208 Ca -0.05 -1.13 -0.25 0.00 0.70 0.00 0.00 55.95 55.21 1xgr s SER 208 Cb -0.14 0.57 0.08 0.00 -1.71 0.00 0.00 66.02 64.82 1xgr s SER 208 CO -0.02 -1.13 0.72 0.72 1.20 0.00 0.00 173.24 174.73 1xgr s PHE 209 N -3.80 -0.46 0.03 3.44 -0.12 -0.89 -5.00 117.98 111.17 1xgr s PHE 209 Ca 0.27 0.30 0.08 0.00 -0.05 0.00 0.00 56.93 57.53 1xgr s PHE 209 Cb 0.01 0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 42.92 1xgr s PHE 209 CO 0.12 -0.72 -0.24 -0.80 -0.05 0.00 0.00 175.22 173.53 1xgr s ASN 210 N -2.60 3.36 0.41 1.98 0.01 -1.26 -1.70 114.94 115.13 1xgr s ASN 210 Ca 0.02 -0.51 0.22 0.00 -0.71 0.00 0.00 52.86 51.88 1xgr s ASN 210 Cb -0.01 -0.41 0.82 0.00 0.41 0.00 0.00 41.25 42.06 1xgr s ASN 210 CO -0.11 0.27 1.79 0.03 -1.51 0.00 0.00 177.10 177.57 1xgr h ARG 211 N 4.86 0.00 -0.79 -0.60 3.08 -1.45 -3.19 114.38 116.29 1xgr h ARG 211 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1xgr h ARG 211 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1xgr h ARG 211 CO 0.45 0.29 0.00 0.27 -1.07 0.00 0.00 179.97 179.91 1xgr n ASN 212 N -3.47 0.73 -3.47 7.04 0.23 -1.26 -4.46 115.26 110.59 1xgr n ASN 212 Ca -0.00 -0.89 0.00 0.00 -0.53 0.00 0.00 54.58 53.16 1xgr n ASN 212 Cb 0.46 -0.22 -0.05 0.00 -2.08 0.00 0.00 39.78 37.89 1xgr n ASN 212 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1xgr s GLU 213 N -0.51 0.33 0.00 -3.83 -1.05 -1.21 -5.24 118.70 107.19 1xgr s GLU 213 Ca 0.00 0.77 0.00 0.00 -0.15 0.00 0.00 54.97 55.59 1xgr s GLU 213 Cb 0.00 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 1xgr s GLU 213 CO 0.00 -0.10 0.00 0.00 0.95 0.00 0.00 175.26 176.11