#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgu s VAL 2 N 0.00 5.02 -0.15 2.62 1.01 -1.26 -5.04 120.40 122.60 1jgu s VAL 2 Ca 0.00 1.46 -0.15 0.00 0.00 0.00 0.00 61.98 63.29 1jgu s VAL 2 Cb 0.00 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1jgu s VAL 2 CO 0.00 0.21 0.35 0.68 0.00 0.00 0.00 175.10 176.33 1jgu s VAL 3 N 1.07 5.27 -0.23 2.92 -7.23 -1.26 -4.78 120.40 116.16 1jgu s VAL 3 Ca 0.37 0.66 -0.07 0.00 -1.81 0.00 0.00 61.98 61.14 1jgu s VAL 3 Cb -0.17 -3.68 -0.03 0.00 0.56 0.00 0.00 36.38 33.05 1jgu s VAL 3 CO 0.17 0.37 0.06 -0.04 -0.31 0.00 0.00 175.10 175.36 1jgu s MET 4 N 0.48 3.71 -0.23 4.82 -1.94 -1.26 -1.92 119.30 122.97 1jgu s MET 4 Ca 0.19 -0.46 -0.04 0.00 -1.71 0.00 0.00 55.69 53.68 1jgu s MET 4 Cb -0.14 -3.27 -0.00 0.00 2.01 0.00 0.00 34.83 33.43 1jgu s MET 4 CO 0.06 -0.07 -0.04 0.99 -0.01 0.00 0.00 175.02 175.95 1jgu s THR 5 N 1.30 3.35 -0.02 2.05 2.01 0.35 -4.18 115.64 120.50 1jgu s THR 5 Ca 0.05 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.49 1jgu s THR 5 Cb -0.15 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 1jgu s THR 5 CO 0.03 0.38 0.03 -1.10 -0.69 0.00 0.00 174.62 173.27 1jgu s GLN 6 N 1.46 2.92 -0.07 4.92 -0.21 -1.26 -0.87 119.66 126.55 1jgu s GLN 6 Ca 0.05 -0.53 -0.05 0.00 0.02 0.00 0.00 55.36 54.86 1jgu s GLN 6 Cb -0.15 -2.76 0.03 0.00 1.00 0.00 0.00 33.01 31.13 1jgu s GLN 6 CO -0.03 0.65 0.18 -1.54 -2.12 0.00 0.00 175.29 172.42 1jgu s SER 7 N -1.51 -0.17 0.78 5.90 1.04 -0.64 -4.48 113.70 114.62 1jgu s SER 7 Ca 0.20 0.36 -0.09 0.00 0.48 0.00 0.00 55.95 56.90 1jgu s SER 7 Cb -0.12 0.30 0.10 0.00 0.10 0.00 0.00 66.02 66.41 1jgu s SER 7 CO 0.10 -0.11 1.11 -2.16 0.98 0.00 0.00 173.24 173.16 1jgu s PRO 8 N 0.72 1.76 0.13 4.02 0.04 -1.26 -1.47 135.00 138.94 1jgu s PRO 8 Ca -0.05 -0.31 0.07 0.00 0.04 0.00 0.00 61.00 60.75 1jgu s PRO 8 Cb -0.07 -2.07 -0.18 0.00 0.04 0.00 0.00 34.50 32.22 1jgu s PRO 8 CO -0.04 -1.58 1.29 -0.07 0.04 0.00 0.00 177.00 176.64 1jgu h LEU 9 N -0.91 0.01 -7.71 -3.56 3.38 -1.83 -3.41 115.31 101.28 1jgu h LEU 9 Ca -0.44 -0.01 -0.40 0.00 0.09 0.00 0.00 57.88 57.13 1jgu h LEU 9 Cb 1.30 -0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.70 1jgu h LEU 9 CO 0.55 0.99 -0.77 -0.55 0.09 0.00 0.00 178.44 178.74 1jgu s SER 10 N -6.72 0.88 -0.37 -0.43 0.15 -1.26 -1.24 113.70 104.71 1jgu s SER 10 Ca 0.01 -0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.57 1jgu s SER 10 Cb 0.10 -0.41 0.11 0.00 -1.71 0.00 0.00 66.02 64.11 1jgu s SER 10 CO 0.82 -0.07 0.14 -0.22 1.20 0.00 0.00 173.24 175.11 1jgu s LEU 11 N 0.96 3.32 0.05 3.45 2.96 0.31 -4.93 118.68 124.80 1jgu s LEU 11 Ca -0.10 -2.19 -0.30 0.00 -0.22 0.00 0.00 54.13 51.31 1jgu s LEU 11 Cb -0.14 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.29 1jgu s LEU 11 CO -0.00 -0.35 1.04 -2.84 -1.32 0.00 0.00 176.35 172.88 1jgu s PRO 12 N 0.88 4.56 0.21 0.98 0.02 -1.26 -1.44 135.00 138.94 1jgu s PRO 12 Ca 0.13 1.53 -0.01 0.00 0.02 0.00 0.00 61.00 62.67 1jgu s PRO 12 Cb -0.21 -3.40 -0.04 0.00 0.02 0.00 0.00 34.50 30.87 1jgu s PRO 12 CO -0.11 -0.04 0.16 0.14 -0.33 0.00 0.00 177.00 176.81 1jgu s VAL 13 N 0.73 0.00 0.03 3.83 -7.23 0.77 -4.76 120.40 113.76 1jgu s VAL 13 Ca 0.52 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.76 1jgu s VAL 13 Cb -0.24 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1jgu s VAL 13 CO 0.29 0.00 -0.02 -0.44 -0.31 0.00 0.00 175.10 174.62 1jgu s SER 14 N -3.16 4.95 0.19 4.85 0.01 -1.26 -0.89 113.70 118.39 1jgu s SER 14 Ca 0.38 -0.10 -0.33 0.00 1.31 0.00 0.00 55.95 57.21 1jgu s SER 14 Cb 0.06 -1.22 -0.13 0.00 0.21 0.00 0.00 66.02 64.94 1jgu s SER 14 CO 0.12 0.25 1.58 0.18 0.41 0.00 0.00 173.24 175.78 1jgu n LEU 15 N 1.20 3.34 0.00 2.44 4.77 -1.26 -1.11 117.00 126.38 1jgu n LEU 15 Ca -0.14 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 1jgu n LEU 15 Cb 0.52 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1jgu n LEU 15 CO 0.34 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 1jgu n GLY 16 N 3.25 1.10 3.86 -0.72 0.00 0.62 -4.96 105.19 108.33 1jgu n GLY 16 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1jgu n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jgu s ASP 17 N -1.69 4.93 0.16 1.61 -0.00 -0.26 -4.45 116.67 116.96 1jgu s ASP 17 Ca 0.00 1.11 -0.10 0.00 -0.00 0.00 0.00 52.55 53.56 1jgu s ASP 17 Cb 0.00 -1.83 -0.07 0.00 -0.00 0.00 0.00 42.92 41.03 1jgu s ASP 17 CO 0.00 -1.67 0.48 -1.10 -0.00 0.00 0.00 175.17 172.88 1jgu s GLN 18 N -5.34 3.80 0.02 8.23 -0.21 -1.26 -0.36 119.66 124.54 1jgu s GLN 18 Ca 0.60 0.24 0.04 0.00 0.02 0.00 0.00 55.36 56.25 1jgu s GLN 18 Cb -0.12 -2.83 -0.02 0.00 1.00 0.00 0.00 33.01 31.05 1jgu s GLN 18 CO 0.52 0.44 -0.11 0.00 -2.12 0.00 0.00 175.29 174.01 1jgu s ALA 19 N -1.61 0.94 -0.04 6.09 0.00 -0.33 -4.95 121.76 121.86 1jgu s ALA 19 Ca 0.41 -0.64 -0.00 0.00 0.00 0.00 0.00 51.96 51.72 1jgu s ALA 19 Cb -0.13 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.85 1jgu s ALA 19 CO 0.21 0.18 0.01 0.45 0.00 0.00 0.00 175.76 176.60 1jgu s SER 20 N -0.80 0.90 -0.06 0.00 0.15 -1.26 -0.97 113.70 111.66 1jgu s SER 20 Ca 0.01 -0.03 0.06 0.00 0.70 0.00 0.00 55.95 56.69 1jgu s SER 20 Cb -0.06 -0.28 -0.01 0.00 -1.71 0.00 0.00 66.02 63.95 1jgu s SER 20 CO 0.00 -0.15 -0.25 -0.63 1.20 0.00 0.00 173.24 173.42 1jgu s ILE 21 N 1.46 2.08 0.08 6.45 1.01 0.05 -4.82 121.20 127.51 1jgu s ILE 21 Ca -0.03 -1.05 0.04 0.00 0.00 0.00 0.00 60.65 59.60 1jgu s ILE 21 Cb -0.13 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 1jgu s ILE 21 CO -0.03 0.57 0.04 -0.44 0.00 0.00 0.00 174.94 175.08 1jgu s SER 22 N -0.09 5.31 -0.08 3.58 0.01 -0.54 -0.88 113.70 121.01 1jgu s SER 22 Ca -0.06 -0.08 -0.04 0.00 1.31 0.00 0.00 55.95 57.09 1jgu s SER 22 Cb -0.14 -1.36 0.04 0.00 0.21 0.00 0.00 66.02 64.77 1jgu s SER 22 CO 0.04 0.18 0.18 0.00 0.41 0.00 0.00 173.24 174.06 1jgu s ARG 24 N 1.27 0.88 0.16 0.00 1.04 -0.05 -0.75 118.95 121.50 1jgu s ARG 24 Ca -0.09 -0.38 0.04 0.00 -1.04 0.00 0.00 55.73 54.26 1jgu s ARG 24 Cb -0.11 -0.85 -0.04 0.00 -2.04 0.00 0.00 34.95 31.91 1jgu s ARG 24 CO -0.07 0.22 0.22 -1.54 -0.04 0.00 0.00 175.30 174.10 1jgu s SER 25 N -0.22 6.01 0.21 -2.89 1.04 -0.66 -0.50 113.70 116.69 1jgu s SER 25 Ca 0.04 0.05 0.24 0.00 0.48 0.00 0.00 55.95 56.75 1jgu s SER 25 Cb -0.04 -1.72 0.92 0.00 0.10 0.00 0.00 66.02 65.27 1jgu s SER 25 CO -0.00 0.06 1.72 -1.54 0.98 0.00 0.00 173.24 174.45 1jgu n SER 26 N -0.48 0.62 -3.86 7.02 3.41 -0.81 -4.77 113.62 114.75 1jgu n SER 26 Ca -0.08 0.62 -0.10 0.00 -0.26 0.00 0.00 58.87 59.05 1jgu n SER 26 Cb 0.54 -0.76 -0.08 0.00 -0.26 0.00 0.00 64.21 63.65 1jgu n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1jgu s GLN 27 N -3.22 0.68 0.25 4.33 -0.21 -1.26 -5.00 119.66 115.23 1jgu s GLN 27 Ca 0.07 -0.66 -0.31 0.00 0.02 0.00 0.00 55.36 54.48 1jgu s GLN 27 Cb 0.11 0.28 -0.13 0.00 1.00 0.00 0.00 33.01 34.27 1jgu s GLN 27 CO 0.44 -0.19 1.46 0.45 -2.12 0.00 0.00 175.29 175.33 1jgu n SER 27 N 0.67 3.08 -0.81 5.90 2.88 -1.26 -4.72 113.62 119.36 1jgu n SER 27 Ca -0.19 1.14 0.08 0.00 -1.33 0.00 0.00 58.87 58.57 1jgu n SER 27 Cb 0.59 -1.48 0.22 0.00 -0.75 0.00 0.00 64.21 62.80 1jgu n SER 27 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1jgu n LEU 27 N 2.17 2.37 -4.63 2.46 4.77 0.09 -4.86 117.00 119.37 1jgu n LEU 27 Ca 0.11 -1.15 -0.43 0.00 -0.03 0.00 0.00 56.01 54.51 1jgu n LEU 27 Cb 0.33 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1jgu n LEU 27 CO 0.63 0.58 1.23 -0.69 -1.33 0.00 0.00 177.39 177.80 1jgu s VAL 27 N -1.46 3.96 0.84 4.08 1.01 -1.26 -3.61 120.40 123.96 1jgu s VAL 27 Ca 0.31 1.06 -0.11 0.00 0.00 0.00 0.00 61.98 63.24 1jgu s VAL 27 Cb 0.16 -4.01 0.10 0.00 0.00 0.00 0.00 36.38 32.63 1jgu s VAL 27 CO 0.22 -0.45 1.09 -2.28 0.00 0.00 0.00 175.10 173.68 1jgu s HIS 27 N 4.83 2.52 0.23 5.22 2.46 0.25 -4.91 115.29 125.89 1jgu s HIS 27 Ca 0.62 1.30 0.36 0.00 0.47 0.00 0.00 55.06 57.81 1jgu s HIS 27 Cb -0.19 -3.12 1.63 0.00 -0.13 0.00 0.00 32.58 30.78 1jgu s HIS 27 CO 0.26 -2.09 2.08 0.66 -2.47 0.00 0.00 174.74 173.18 1jgu h SER 27 N -1.33 0.00 -0.10 9.88 4.64 -1.94 -1.35 113.55 123.35 1jgu h SER 27 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1jgu h SER 27 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1jgu h SER 27 CO 0.55 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.05 1jgu n ASN 28 N -3.07 0.90 0.00 4.97 0.23 -1.26 -4.90 115.26 112.12 1jgu n ASN 28 Ca -0.00 -1.63 0.00 0.00 -0.53 0.00 0.00 54.58 52.42 1jgu n ASN 28 Cb 0.24 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 1jgu n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jgu n GLY 29 N 0.95 2.22 3.89 4.83 0.00 -0.51 -5.06 105.19 111.51 1jgu n GLY 29 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1jgu n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jgu s ASN 30 N -1.78 6.45 -0.33 1.61 0.01 -1.26 -4.73 114.94 114.91 1jgu s ASN 30 Ca 0.00 1.01 0.03 0.00 -0.71 0.00 0.00 52.86 53.19 1jgu s ASN 30 Cb 0.00 -2.27 0.09 0.00 0.41 0.00 0.00 41.25 39.48 1jgu s ASN 30 CO 0.00 -0.40 0.03 -0.89 -1.51 0.00 0.00 177.10 174.33 1jgu s THR 31 N -2.41 2.38 -1.42 1.60 2.01 -1.26 0.87 115.64 117.42 1jgu s THR 31 Ca 0.49 -2.14 -0.11 0.00 0.31 0.00 0.00 61.69 60.23 1jgu s THR 31 Cb -0.10 -2.66 0.07 0.00 0.01 0.00 0.00 72.50 69.81 1jgu s THR 31 CO 0.34 -0.48 2.24 -1.22 -0.69 0.00 0.00 174.62 174.81 1jgu n TYR 32 N 4.33 3.14 -4.74 4.92 4.02 -1.24 -4.08 117.16 123.52 1jgu n TYR 32 Ca -0.01 -2.93 -0.33 0.00 -0.01 0.00 0.00 57.90 54.62 1jgu n TYR 32 Cb 0.42 -2.32 -0.14 0.00 -0.02 0.00 0.00 39.34 37.28 1jgu n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1jgu s LEU 33 N 0.93 2.74 0.10 7.72 1.98 -1.26 -1.30 118.68 129.59 1jgu s LEU 33 Ca 0.48 -0.32 0.01 0.00 -2.89 0.00 0.00 54.13 51.41 1jgu s LEU 33 Cb 0.14 -1.62 -0.04 0.00 0.66 0.00 0.00 46.19 45.32 1jgu s LEU 33 CO -0.06 0.16 -0.05 -1.00 -1.89 0.00 0.00 176.35 173.52 1jgu s HIS 34 N 0.38 0.85 -0.06 5.38 3.76 -0.08 0.06 115.29 125.58 1jgu s HIS 34 Ca -0.10 -0.97 0.05 0.00 -0.15 0.00 0.00 55.06 53.89 1jgu s HIS 34 Cb -0.16 -0.51 -0.01 0.00 1.11 0.00 0.00 32.58 33.02 1jgu s HIS 34 CO 0.05 -0.22 -0.22 -1.58 -0.85 0.00 0.00 174.74 171.92 1jgu s TRP 35 N -3.70 2.24 0.15 1.40 0.52 0.33 -0.76 118.94 119.13 1jgu s TRP 35 Ca 0.13 -0.72 0.08 0.00 0.02 0.00 0.00 56.10 55.60 1jgu s TRP 35 Cb 0.06 -1.49 -0.04 0.00 -1.15 0.00 0.00 33.47 30.85 1jgu s TRP 35 CO -0.05 -0.25 -0.17 0.71 0.02 0.00 0.00 176.95 177.21 1jgu s TYR 36 N 0.02 1.73 -0.08 -1.98 1.51 0.67 -0.91 117.35 118.31 1jgu s TYR 36 Ca -0.07 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 55.52 1jgu s TYR 36 Cb -0.14 -0.87 0.01 0.00 -0.11 0.00 0.00 41.96 40.85 1jgu s TYR 36 CO 0.04 0.29 -0.14 -1.17 -1.11 0.00 0.00 175.55 173.46 1jgu s LEU 37 N -2.62 1.70 -0.10 -1.29 2.96 -0.22 -0.00 118.68 119.12 1jgu s LEU 37 Ca 0.14 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 1jgu s LEU 37 Cb -0.05 -0.97 0.02 0.00 0.50 0.00 0.00 46.19 45.68 1jgu s LEU 37 CO 0.06 0.04 -0.14 -1.58 -1.32 0.00 0.00 176.35 173.41 1jgu s GLN 38 N 0.74 2.03 0.19 1.98 0.74 0.11 -0.97 119.66 124.47 1jgu s GLN 38 Ca -0.13 -0.49 0.04 0.00 0.05 0.00 0.00 55.36 54.83 1jgu s GLN 38 Cb -0.16 -1.74 -0.03 0.00 1.10 0.00 0.00 33.01 32.17 1jgu s GLN 38 CO 0.03 -0.06 0.25 0.15 -0.55 0.00 0.00 175.29 175.11 1jgu s LYS 39 N 0.98 3.23 0.21 1.67 1.02 -1.26 -1.19 119.74 124.40 1jgu s LYS 39 Ca -0.07 -0.77 -0.32 0.00 0.02 0.00 0.00 55.97 54.83 1jgu s LYS 39 Cb -0.15 -2.81 -0.15 0.00 -0.52 0.00 0.00 37.83 34.20 1jgu s LYS 39 CO -0.01 0.47 1.21 -2.30 -0.92 0.00 0.00 175.35 173.80 1jgu n PRO 40 N -0.78 1.43 -1.62 -1.68 -0.02 -1.26 -1.25 135.00 129.82 1jgu n PRO 40 Ca -0.08 0.51 -0.20 0.00 -2.02 0.00 0.00 63.50 61.71 1jgu n PRO 40 Cb 0.55 -2.03 -0.08 0.00 -0.02 0.00 0.00 33.50 31.92 1jgu n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jgu n GLY 41 N 1.94 1.75 3.23 -1.23 0.00 -1.26 -4.97 105.19 104.65 1jgu n GLY 41 Ca 0.13 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 1jgu n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jgu s GLN 42 N -3.75 1.00 0.57 1.61 2.00 -0.38 -5.16 119.66 115.56 1jgu s GLN 42 Ca 0.00 -1.36 -0.08 0.00 -2.00 0.00 0.00 55.36 51.93 1jgu s GLN 42 Cb 0.00 -0.63 -0.02 0.00 0.80 0.00 0.00 33.01 33.16 1jgu s GLN 42 CO 0.00 0.09 0.91 -1.12 -0.50 0.00 0.00 175.29 174.67 1jgu s SER 43 N -2.92 6.05 0.59 6.67 0.01 -1.26 -4.47 113.70 118.36 1jgu s SER 43 Ca 0.13 1.05 -0.20 0.00 1.31 0.00 0.00 55.95 58.25 1jgu s SER 43 Cb 0.00 -2.18 -0.03 0.00 0.21 0.00 0.00 66.02 64.02 1jgu s SER 43 CO 0.01 -0.83 1.28 -2.84 0.41 0.00 0.00 173.24 171.26 1jgu s PRO 44 N -4.98 2.93 -0.07 12.44 0.02 -1.26 -4.61 135.00 139.47 1jgu s PRO 44 Ca 0.52 2.03 0.03 0.00 0.02 0.00 0.00 61.00 63.60 1jgu s PRO 44 Cb -0.11 -2.03 0.01 0.00 0.02 0.00 0.00 34.50 32.39 1jgu s PRO 44 CO 0.48 -1.29 -0.17 0.21 -0.33 0.00 0.00 177.00 175.90 1jgu s LYS 45 N -3.18 2.09 0.07 5.54 2.20 -0.14 -4.95 119.74 121.37 1jgu s LYS 45 Ca 0.77 -0.59 -0.31 0.00 -0.36 0.00 0.00 55.97 55.48 1jgu s LYS 45 Cb -0.36 -1.69 -0.06 0.00 -1.51 0.00 0.00 37.83 34.21 1jgu s LYS 45 CO 0.40 0.12 1.26 -1.17 -0.36 0.00 0.00 175.35 175.60 1jgu s LEU 46 N 0.42 4.37 -0.09 5.43 2.96 -1.26 -1.05 118.68 129.45 1jgu s LEU 46 Ca -0.13 2.10 -0.08 0.00 -0.22 0.00 0.00 54.13 55.80 1jgu s LEU 46 Cb -0.15 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 1jgu s LEU 46 CO 0.05 -0.53 -0.18 0.18 -1.32 0.00 0.00 176.35 174.55 1jgu n LEU 47 N 4.00 1.22 -4.06 -0.68 4.77 -0.08 -4.81 117.00 117.37 1jgu n LEU 47 Ca 0.10 0.20 -0.20 0.00 -0.03 0.00 0.00 56.01 56.07 1jgu n LEU 47 Cb 0.45 -0.47 -0.15 0.00 -2.33 0.00 0.00 43.42 40.92 1jgu n LEU 47 CO 0.56 -0.07 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.47 1jgu s ILE 48 N -2.34 0.88 0.18 -0.08 -1.09 -1.04 -1.52 121.20 116.19 1jgu s ILE 48 Ca -0.17 -0.48 0.08 0.00 -2.23 0.00 0.00 60.65 57.86 1jgu s ILE 48 Cb 0.05 -0.74 -0.04 0.00 -1.58 0.00 0.00 42.46 40.15 1jgu s ILE 48 CO 0.23 0.25 -0.17 -0.72 -1.23 0.00 0.00 174.94 173.30 1jgu s TYR 49 N -0.25 1.79 -1.29 3.97 1.13 0.50 -0.51 117.35 122.70 1jgu s TYR 49 Ca 0.04 -0.50 -0.22 0.00 -1.41 0.00 0.00 57.07 54.98 1jgu s TYR 49 Cb -0.04 -0.87 0.02 0.00 -1.10 0.00 0.00 41.96 39.97 1jgu s TYR 49 CO -0.00 0.35 0.54 1.63 -2.51 0.00 0.00 175.55 175.56 1jgu n LYS 50 N 0.06 -0.87 0.00 -3.49 5.02 -0.79 -0.96 118.16 117.12 1jgu n LYS 50 Ca -0.11 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1jgu n LYS 50 Cb 0.58 -3.22 0.00 0.00 -0.02 0.00 0.00 35.03 32.37 1jgu n LYS 50 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1jgu n VAL 51 N -4.75 0.00 -1.40 -0.18 0.31 0.11 -3.93 118.33 108.48 1jgu n VAL 51 Ca -0.17 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.17 1jgu n VAL 51 Cb 0.61 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.55 1jgu n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1jgu n SER 52 N 1.67 0.41 -4.52 4.52 3.41 -1.20 -3.27 113.62 114.64 1jgu n SER 52 Ca 0.00 -1.78 -0.42 0.00 -0.26 0.00 0.00 58.87 56.41 1jgu n SER 52 Cb 0.00 -0.14 -0.08 0.00 -0.26 0.00 0.00 64.21 63.73 1jgu n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1jgu s ASN 53 N -0.86 6.27 0.05 4.04 0.01 -0.14 -4.68 114.94 119.62 1jgu s ASN 53 Ca 0.03 -0.32 -0.30 0.00 -0.71 0.00 0.00 52.86 51.56 1jgu s ASN 53 Cb 0.03 -2.26 -0.05 0.00 0.41 0.00 0.00 41.25 39.38 1jgu s ASN 53 CO 0.00 -0.58 1.17 -0.60 -1.51 0.00 0.00 177.10 175.59 1jgu s ARG 54 N 2.40 4.44 0.52 -0.60 3.52 -1.26 -0.37 118.95 127.60 1jgu s ARG 54 Ca 0.17 1.72 -0.19 0.00 -0.13 0.00 0.00 55.73 57.30 1jgu s ARG 54 Cb -0.16 -3.37 -0.07 0.00 -1.56 0.00 0.00 34.95 29.79 1jgu s ARG 54 CO 0.15 -0.25 1.07 0.12 -0.81 0.00 0.00 175.30 175.58 1jgu s PHE 55 N 1.13 2.90 0.16 5.12 5.36 -0.58 -4.94 117.98 127.15 1jgu s PHE 55 Ca 0.58 1.56 -0.34 0.00 -0.96 0.00 0.00 56.93 57.77 1jgu s PHE 55 Cb -0.28 -3.12 -0.15 0.00 -0.34 0.00 0.00 43.02 39.13 1jgu s PHE 55 CO 0.29 -1.08 1.36 0.43 -1.46 0.00 0.00 175.22 174.76 1jgu n SER 56 N -1.25 2.17 0.00 6.13 7.64 -1.26 -1.66 113.62 125.39 1jgu n SER 56 Ca 0.10 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1jgu n SER 56 Cb 0.52 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1jgu n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jgu n GLY 57 N 2.50 2.41 3.70 0.23 0.00 -1.26 -5.03 105.19 107.73 1jgu n GLY 57 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1jgu n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jgu s VAL 58 N -2.25 4.61 0.43 1.61 1.01 -0.67 -4.99 120.40 120.15 1jgu s VAL 58 Ca 0.00 1.89 -0.25 0.00 0.00 0.00 0.00 61.98 63.62 1jgu s VAL 58 Cb 0.00 -4.21 -0.10 0.00 0.00 0.00 0.00 36.38 32.07 1jgu s VAL 58 CO 0.00 0.05 1.14 -2.65 0.00 0.00 0.00 175.10 173.64 1jgu n PRO 59 N 4.68 1.61 0.00 2.72 -0.02 -1.26 -4.84 135.00 137.89 1jgu n PRO 59 Ca 0.09 0.58 0.04 0.00 -2.02 0.00 0.00 63.50 62.19 1jgu n PRO 59 Cb 0.48 -2.22 0.23 0.00 -0.02 0.00 0.00 33.50 31.98 1jgu n PRO 59 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1jgu n ASP 60 N 0.29 0.00 0.29 2.55 5.75 -1.26 -1.97 116.55 122.20 1jgu n ASP 60 Ca 0.08 0.13 0.18 0.00 -0.01 0.00 0.00 54.79 55.17 1jgu n ASP 60 Cb 0.40 -0.27 0.83 0.00 -1.03 0.00 0.00 41.12 41.04 1jgu n ASP 60 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1jgu h ARG 61 N 0.00 0.00 -5.71 0.11 3.08 -1.94 -3.42 114.38 106.50 1jgu h ARG 61 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1jgu h ARG 61 Cb 0.08 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.05 1jgu h ARG 61 CO 0.00 0.03 -0.34 -0.06 -1.07 0.00 0.00 179.97 178.53 1jgu s PHE 62 N -3.87 3.60 -0.07 3.04 0.40 -0.83 -0.99 117.98 119.25 1jgu s PHE 62 Ca -0.01 0.70 -0.17 0.00 -0.60 0.00 0.00 56.93 56.85 1jgu s PHE 62 Cb 0.11 -2.19 0.04 0.00 0.51 0.00 0.00 43.02 41.48 1jgu s PHE 62 CO 0.52 0.54 0.40 -1.54 0.70 0.00 0.00 175.22 175.84 1jgu s SER 63 N -0.55 -0.35 0.20 1.36 1.04 -0.64 -4.97 113.70 109.79 1jgu s SER 63 Ca 0.18 0.46 0.11 0.00 0.48 0.00 0.00 55.95 57.18 1jgu s SER 63 Cb -0.14 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1jgu s SER 63 CO 0.07 -0.35 -0.22 -0.83 0.98 0.00 0.00 173.24 172.89 1jgu s GLY 64 N -0.70 1.66 0.39 7.32 0.00 -1.26 -0.69 107.32 114.04 1jgu s GLY 64 Ca -0.08 -1.64 -0.14 0.00 0.00 0.00 0.00 44.72 42.86 1jgu s GLY 64 CO 0.04 -1.68 0.76 -1.35 0.00 0.00 0.00 173.10 170.87 1jgu s SER 65 N -2.80 0.10 0.00 1.64 1.04 -0.56 -4.30 113.70 108.82 1jgu s SER 65 Ca 0.21 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1jgu s SER 65 Cb -0.07 0.84 0.00 0.00 0.10 0.00 0.00 66.02 66.89 1jgu s SER 65 CO 0.10 -1.67 0.00 0.61 0.98 0.00 0.00 173.24 173.26 1jgu n GLY 66 N -0.54 1.00 3.54 7.32 0.00 -1.26 -1.11 105.19 114.14 1jgu n GLY 66 Ca -0.08 -2.28 -0.10 0.00 0.00 0.00 0.00 46.02 43.56 1jgu n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jgu s SER 67 N 0.00 -0.39 0.25 1.61 1.04 0.05 -4.95 113.70 111.30 1jgu s SER 67 Ca 0.00 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1jgu s SER 67 Cb 0.00 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1jgu s SER 67 CO 0.00 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1jgu n GLY 68 N 0.33 0.61 0.00 7.32 0.00 -1.26 -2.28 105.19 109.91 1jgu n GLY 68 Ca -0.10 0.54 0.03 0.00 0.00 0.00 0.00 46.02 46.50 1jgu n GLY 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jgu n THR 69 N 0.00 0.00 -5.10 2.61 -1.04 -1.26 -0.73 114.28 108.75 1jgu n THR 69 Ca 0.00 -0.29 -0.30 0.00 -2.04 0.00 0.00 64.05 61.42 1jgu n THR 69 Cb 0.00 0.85 -0.16 0.00 -1.82 0.00 0.00 70.33 69.19 1jgu n THR 69 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1jgu s ASP 70 N -1.94 2.76 0.05 8.00 2.15 -0.96 -1.65 116.67 125.08 1jgu s ASP 70 Ca 0.01 -0.47 -0.00 0.00 0.43 0.00 0.00 52.55 52.52 1jgu s ASP 70 Cb 0.05 -0.92 -0.03 0.00 -0.30 0.00 0.00 42.92 41.72 1jgu s ASP 70 CO 0.30 0.19 -0.03 -0.36 -0.17 0.00 0.00 175.17 175.09 1jgu s PHE 71 N 0.06 0.48 -0.05 -5.34 0.40 0.07 -0.77 117.98 112.83 1jgu s PHE 71 Ca -0.08 -0.91 -0.03 0.00 -0.60 0.00 0.00 56.93 55.31 1jgu s PHE 71 Cb -0.14 -0.35 0.02 0.00 0.51 0.00 0.00 43.02 43.06 1jgu s PHE 71 CO 0.05 -0.31 0.12 0.99 0.70 0.00 0.00 175.22 176.77 1jgu s THR 72 N -3.21 -0.02 -0.17 0.64 2.01 -0.27 -1.45 115.64 113.16 1jgu s THR 72 Ca 0.01 0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.05 1jgu s THR 72 Cb 0.03 -0.19 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 1jgu s THR 72 CO -0.07 0.03 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.65 1jgu s LEU 73 N 0.56 3.24 0.02 4.42 2.96 -0.05 -1.50 118.68 128.34 1jgu s LEU 73 Ca -0.04 -0.16 0.08 0.00 -0.22 0.00 0.00 54.13 53.80 1jgu s LEU 73 Cb -0.06 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1jgu s LEU 73 CO -0.02 0.13 -0.25 -0.54 -1.32 0.00 0.00 176.35 174.35 1jgu s LYS 74 N 0.58 1.80 -0.22 1.98 1.02 0.14 -0.77 119.74 124.27 1jgu s LYS 74 Ca -0.02 -1.01 0.02 0.00 0.02 0.00 0.00 55.97 54.97 1jgu s LYS 74 Cb -0.14 -1.89 0.04 0.00 -0.52 0.00 0.00 37.83 35.32 1jgu s LYS 74 CO 0.02 0.50 -0.13 0.42 -0.92 0.00 0.00 175.35 175.24 1jgu s ILE 75 N -0.73 1.98 0.36 2.17 1.01 -0.14 -1.62 121.20 124.22 1jgu s ILE 75 Ca 0.10 -1.25 0.05 0.00 0.00 0.00 0.00 60.65 59.56 1jgu s ILE 75 Cb -0.10 -1.99 0.18 0.00 0.01 0.00 0.00 42.46 40.57 1jgu s ILE 75 CO 0.01 0.19 1.92 0.77 0.00 0.00 0.00 174.94 177.83 1jgu h SER 76 N 7.88 0.46 -1.37 3.58 4.64 -1.35 -0.86 113.55 126.52 1jgu h SER 76 Ca -0.29 -0.07 -0.11 0.00 -0.47 0.00 0.00 61.79 60.84 1jgu h SER 76 Cb 1.09 -0.12 -0.25 0.00 -0.31 0.00 0.00 62.40 62.81 1jgu h SER 76 CO 0.52 0.49 -0.49 -0.60 -0.87 0.00 0.00 176.83 175.89 1jgu s ARG 77 N -5.05 0.56 0.23 4.77 3.52 -1.25 -4.15 118.95 117.58 1jgu s ARG 77 Ca -0.07 0.09 -0.32 0.00 -0.13 0.00 0.00 55.73 55.30 1jgu s ARG 77 Cb 0.16 -0.09 -0.12 0.00 -1.56 0.00 0.00 34.95 33.33 1jgu s ARG 77 CO 0.75 -1.09 1.64 0.28 -0.81 0.00 0.00 175.30 176.08 1jgu n VAL 78 N 5.09 0.40 -4.44 7.11 0.31 0.51 -4.72 118.33 122.59 1jgu n VAL 78 Ca 0.05 -0.10 -0.26 0.00 -0.01 0.00 0.00 64.34 64.02 1jgu n VAL 78 Cb 0.52 -1.88 -0.11 0.00 -0.91 0.00 0.00 33.84 31.45 1jgu n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1jgu s GLU 79 N 0.47 1.57 0.31 5.55 2.02 -1.26 -0.28 118.70 127.08 1jgu s GLU 79 Ca 0.71 -1.60 0.07 0.00 0.02 0.00 0.00 54.97 54.18 1jgu s GLU 79 Cb -0.54 -1.82 0.82 0.00 0.10 0.00 0.00 34.13 32.69 1jgu s GLU 79 CO 0.40 0.38 1.73 0.00 0.02 0.00 0.00 175.26 177.78 1jgu h ALA 80 N 2.91 1.69 0.00 5.21 0.00 -2.00 0.16 119.26 127.22 1jgu h ALA 80 Ca -0.44 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1jgu h ALA 80 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1jgu h ALA 80 CO 0.52 -0.23 0.00 0.93 0.00 0.00 0.00 179.25 180.46 1jgu h GLU 81 N 0.59 0.00 0.00 0.00 3.07 -2.02 -2.38 114.58 113.84 1jgu h GLU 81 Ca 0.61 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 1jgu h GLU 81 Cb 1.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 1jgu h GLU 81 CO -0.46 0.00 -0.11 -0.25 -1.40 0.00 0.00 179.01 176.79 1jgu n ASP 82 N -2.77 0.17 -4.75 1.42 8.00 0.57 -4.88 116.55 114.31 1jgu n ASP 82 Ca -0.01 0.35 -0.41 0.00 0.71 0.00 0.00 54.79 55.43 1jgu n ASP 82 Cb 0.12 -0.36 -0.02 0.00 -0.02 0.00 0.00 41.12 40.83 1jgu n ASP 82 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1jgu s LEU 83 N -3.14 4.38 0.00 0.64 1.43 -0.90 -4.87 118.68 116.23 1jgu s LEU 83 Ca 0.13 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.91 1jgu s LEU 83 Cb 0.18 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1jgu s LEU 83 CO 0.57 -0.71 0.00 0.61 0.23 0.00 0.00 176.35 177.06 1jgu n GLY 84 N 2.17 -0.24 3.50 -3.19 0.00 -1.18 -4.86 105.19 101.39 1jgu n GLY 84 Ca 0.07 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.39 1jgu n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jgu s VAL 85 N -2.94 4.31 -0.21 1.61 1.01 -0.34 -0.84 120.40 123.00 1jgu s VAL 85 Ca 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 1jgu s VAL 85 Cb 0.00 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 1jgu s VAL 85 CO 0.00 0.41 0.12 -0.31 0.00 0.00 0.00 175.10 175.32 1jgu s TYR 86 N 0.99 3.33 -0.03 5.22 1.51 -0.14 0.05 117.35 128.28 1jgu s TYR 86 Ca 0.03 0.21 0.07 0.00 -1.01 0.00 0.00 57.07 56.37 1jgu s TYR 86 Cb -0.14 -2.17 -0.02 0.00 -0.11 0.00 0.00 41.96 39.52 1jgu s TYR 86 CO 0.02 0.17 -0.25 -0.06 -1.11 0.00 0.00 175.55 174.33 1jgu s PHE 87 N 0.60 2.37 0.12 2.71 0.40 1.00 -0.87 117.98 124.31 1jgu s PHE 87 Ca 0.07 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 55.99 1jgu s PHE 87 Cb -0.12 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.85 1jgu s PHE 87 CO 0.01 -0.04 0.18 0.00 0.70 0.00 0.00 175.22 176.07 1jgu s SER 89 N -2.85 0.02 -0.01 0.00 1.04 0.06 -1.37 113.70 110.59 1jgu s SER 89 Ca 0.32 -0.17 0.07 0.00 0.48 0.00 0.00 55.95 56.66 1jgu s SER 89 Cb -0.11 0.21 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 1jgu s SER 89 CO 0.25 -0.33 -0.24 0.00 0.98 0.00 0.00 173.24 173.91 1jgu s GLN 90 N -1.21 1.92 -0.04 4.02 1.03 -0.71 -0.90 119.66 123.77 1jgu s GLN 90 Ca -0.13 -0.88 0.22 0.00 0.04 0.00 0.00 55.36 54.62 1jgu s GLN 90 Cb -0.07 -1.87 0.42 0.00 0.03 0.00 0.00 33.01 31.51 1jgu s GLN 90 CO 0.01 0.51 1.17 -1.13 -2.54 0.00 0.00 175.29 173.32 1jgu n SER 91 N 2.42 1.11 -0.08 12.60 3.41 -0.42 -3.14 113.62 129.53 1jgu n SER 91 Ca -0.16 -2.37 -0.16 0.00 -0.26 0.00 0.00 58.87 55.93 1jgu n SER 91 Cb 0.52 -0.34 -0.11 0.00 -0.26 0.00 0.00 64.21 64.01 1jgu n SER 91 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1jgu h THR 92 N 5.83 1.30 -3.28 6.66 2.02 -1.87 -3.43 112.91 120.14 1jgu h THR 92 Ca -0.18 -2.16 -0.73 0.00 0.77 0.00 0.00 66.41 64.11 1jgu h THR 92 Cb 1.71 2.64 -0.29 0.00 -1.74 0.00 0.00 68.15 70.47 1jgu h THR 92 CO 0.08 0.44 -0.36 -1.00 0.37 0.00 0.00 175.52 175.04 1jgu s HIS 93 N -2.24 3.41 -0.06 3.16 3.76 -1.26 -4.95 115.29 117.11 1jgu s HIS 93 Ca -0.22 -1.82 -0.03 0.00 -0.15 0.00 0.00 55.06 52.85 1jgu s HIS 93 Cb 0.01 -3.54 0.03 0.00 1.11 0.00 0.00 32.58 30.19 1jgu s HIS 93 CO 0.60 -1.00 0.13 0.14 -0.85 0.00 0.00 174.74 173.76 1jgu s VAL 94 N 1.35 -0.04 0.62 -0.90 -7.23 -1.26 -4.69 120.40 108.25 1jgu s VAL 94 Ca 0.06 0.14 -0.14 0.00 -1.81 0.00 0.00 61.98 60.23 1jgu s VAL 94 Cb -0.26 -0.21 -0.02 0.00 0.56 0.00 0.00 36.38 36.45 1jgu s VAL 94 CO -0.00 0.06 1.05 -2.16 -0.31 0.00 0.00 175.10 173.74 1jgu s PRO 95 N 0.91 3.23 0.37 4.82 0.04 -1.26 -5.21 135.00 137.90 1jgu s PRO 95 Ca -0.07 1.11 -0.26 0.00 0.04 0.00 0.00 61.00 61.83 1jgu s PRO 95 Cb -0.09 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 1jgu s PRO 95 CO -0.04 -0.88 1.13 -0.51 0.04 0.00 0.00 177.00 176.74 1jgu s LEU 96 N -4.81 4.26 0.09 -3.56 1.02 -1.26 -4.78 118.68 109.64 1jgu s LEU 96 Ca 0.62 2.27 0.04 0.00 0.02 0.00 0.00 54.13 57.07 1jgu s LEU 96 Cb -0.15 -3.97 -0.03 0.00 0.02 0.00 0.00 46.19 42.05 1jgu s LEU 96 CO 0.42 -0.52 -0.10 0.42 0.02 0.00 0.00 176.35 176.59 1jgu s THR 97 N -1.42 0.92 0.19 5.49 -4.23 -1.19 -5.03 115.64 110.38 1jgu s THR 97 Ca 0.55 -1.60 0.07 0.00 -1.18 0.00 0.00 61.69 59.53 1jgu s THR 97 Cb -0.29 -1.31 -0.05 0.00 1.34 0.00 0.00 72.50 72.19 1jgu s THR 97 CO 0.37 -0.54 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.40 1jgu s PHE 98 N -2.36 1.66 0.79 3.99 0.40 -1.26 -1.73 117.98 119.47 1jgu s PHE 98 Ca 0.04 -0.58 -0.12 0.00 -0.60 0.00 0.00 56.93 55.67 1jgu s PHE 98 Cb -0.03 -0.78 0.07 0.00 0.51 0.00 0.00 43.02 42.78 1jgu s PHE 98 CO 0.00 0.32 1.14 0.20 0.70 0.00 0.00 175.22 177.58 1jgu s GLY 99 N -3.22 1.60 0.00 4.36 0.00 -0.47 -4.48 107.32 105.12 1jgu s GLY 99 Ca 0.21 -0.49 0.17 0.00 0.00 0.00 0.00 44.72 44.61 1jgu s GLY 99 CO 0.06 -0.04 1.53 0.00 0.00 0.00 0.00 173.10 174.66 1jgu n ALA 100 N -3.30 1.87 0.00 3.20 0.00 -1.26 -4.71 120.51 116.30 1jgu n ALA 100 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jgu n ALA 100 Cb 0.59 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1jgu n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgu n GLY 101 N 0.23 0.33 2.97 0.00 0.00 -1.26 -5.01 105.19 102.45 1jgu n GLY 101 Ca 0.06 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 1jgu n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jgu s THR 102 N -2.82 1.40 -0.28 2.61 2.01 -0.05 -4.66 115.64 113.85 1jgu s THR 102 Ca 0.00 -0.64 -0.23 0.00 0.31 0.00 0.00 61.69 61.13 1jgu s THR 102 Cb 0.00 -1.41 -0.00 0.00 0.01 0.00 0.00 72.50 71.10 1jgu s THR 102 CO 0.00 0.33 0.77 -0.54 -0.69 0.00 0.00 174.62 174.49 1jgu s LYS 103 N 1.54 4.03 -0.23 4.92 1.02 -0.37 -0.97 119.74 129.68 1jgu s LYS 103 Ca 0.03 0.64 -0.22 0.00 0.02 0.00 0.00 55.97 56.45 1jgu s LYS 103 Cb -0.14 -3.70 -0.02 0.00 -0.52 0.00 0.00 37.83 33.46 1jgu s LYS 103 CO -0.09 -0.60 0.69 -1.17 -0.92 0.00 0.00 175.35 173.26 1jgu s LEU 104 N 2.85 4.10 0.39 3.17 2.96 -0.02 -0.53 118.68 131.59 1jgu s LEU 104 Ca 0.32 0.86 0.04 0.00 -0.22 0.00 0.00 54.13 55.12 1jgu s LEU 104 Cb -0.15 -2.97 -0.03 0.00 0.50 0.00 0.00 46.19 43.55 1jgu s LEU 104 CO 0.11 -0.37 0.15 -1.61 -1.32 0.00 0.00 176.35 173.30 1jgu s GLU 105 N 2.36 1.88 0.02 1.98 2.02 -0.52 -3.12 118.70 123.32 1jgu s GLU 105 Ca 0.30 -2.13 -0.02 0.00 0.02 0.00 0.00 54.97 53.14 1jgu s GLU 105 Cb -0.16 -0.47 -0.04 0.00 0.10 0.00 0.00 34.13 33.57 1jgu s GLU 105 CO 0.09 -0.49 0.20 -0.51 0.02 0.00 0.00 175.26 174.57 1jgu s LEU 106 N -3.56 4.36 0.29 1.80 1.43 -1.26 -0.17 118.68 121.58 1jgu s LEU 106 Ca 0.27 0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 53.68 1jgu s LEU 106 Cb 0.03 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 1jgu s LEU 106 CO 0.16 0.22 0.51 -0.54 0.23 0.00 0.00 176.35 176.93 1jgu s LYS 107 N -2.19 3.55 0.24 1.70 1.02 -0.07 -4.64 119.74 119.35 1jgu s LYS 107 Ca 0.31 -0.22 -0.21 0.00 0.02 0.00 0.00 55.97 55.87 1jgu s LYS 107 Cb -0.13 -2.71 0.06 0.00 -0.52 0.00 0.00 37.83 34.54 1jgu s LYS 107 CO 0.23 0.24 0.91 -0.98 -0.92 0.00 0.00 175.35 174.82 1jgu s ARG 108 N -3.77 1.58 0.58 1.68 1.70 -1.26 -4.89 118.95 114.57 1jgu s ARG 108 Ca 0.41 -0.96 -0.19 0.00 -0.47 0.00 0.00 55.73 54.52 1jgu s ARG 108 Cb -0.10 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.72 1jgu s ARG 108 CO 0.32 -0.73 1.19 0.00 -1.08 0.00 0.00 175.30 175.00 1jgu s ALA 109 N -2.81 2.58 0.66 7.88 0.00 -1.26 -4.96 121.76 123.85 1jgu s ALA 109 Ca 0.16 0.96 -0.18 0.00 0.00 0.00 0.00 51.96 52.90 1jgu s ALA 109 Cb -0.03 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 1jgu s ALA 109 CO 0.06 -1.07 1.29 -0.51 0.00 0.00 0.00 175.76 175.53 1jgu s ASP 110 N -1.64 4.54 -0.14 0.00 1.11 -1.26 -4.78 116.67 114.50 1jgu s ASP 110 Ca 0.76 2.61 -0.06 0.00 0.18 0.00 0.00 52.55 56.04 1jgu s ASP 110 Cb -0.29 -2.62 0.06 0.00 1.07 0.00 0.00 42.92 41.14 1jgu s ASP 110 CO 0.32 -2.05 0.31 0.00 1.18 0.00 0.00 175.17 174.93 1jgu s ALA 111 N -1.44 -0.75 0.43 5.23 0.00 0.01 -4.89 121.76 120.35 1jgu s ALA 111 Ca 0.82 1.18 -0.23 0.00 0.00 0.00 0.00 51.96 53.73 1jgu s ALA 111 Cb -0.37 -0.84 -0.09 0.00 0.00 0.00 0.00 23.12 21.82 1jgu s ALA 111 CO 0.40 -0.34 1.07 0.00 0.00 0.00 0.00 175.76 176.90 1jgu s ALA 112 N 1.61 3.03 0.43 0.00 0.00 -1.26 -1.25 121.76 124.32 1jgu s ALA 112 Ca -0.07 0.74 -0.22 0.00 0.00 0.00 0.00 51.96 52.41 1jgu s ALA 112 Cb -0.10 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 1jgu s ALA 112 CO -0.10 -0.33 1.01 -1.25 0.00 0.00 0.00 175.76 175.09 1jgu s PRO 113 N -2.65 4.09 -0.31 0.00 0.04 -1.26 -4.54 135.00 130.36 1jgu s PRO 113 Ca 0.60 1.32 -0.14 0.00 0.04 0.00 0.00 61.00 62.82 1jgu s PRO 113 Cb -0.23 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1jgu s PRO 113 CO 0.28 -0.18 0.33 0.99 0.04 0.00 0.00 177.00 178.46 1jgu s THR 114 N -1.93 5.20 -0.17 1.26 2.01 -0.43 -4.86 115.64 116.72 1jgu s THR 114 Ca 0.62 0.19 -0.08 0.00 0.31 0.00 0.00 61.69 62.73 1jgu s THR 114 Cb -0.16 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1jgu s THR 114 CO 0.20 0.03 0.09 -0.69 -0.69 0.00 0.00 174.62 173.56 1jgu s VAL 115 N 1.98 5.04 -0.03 3.82 1.01 -1.26 -0.94 120.40 130.01 1jgu s VAL 115 Ca 0.12 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1jgu s VAL 115 Cb -0.16 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 32.98 1jgu s VAL 115 CO 0.11 0.48 -0.04 -0.44 0.00 0.00 0.00 175.10 175.22 1jgu s SER 116 N 0.10 0.74 0.06 3.32 0.01 -0.47 -4.98 113.70 112.49 1jgu s SER 116 Ca 0.07 -0.10 0.05 0.00 1.31 0.00 0.00 55.95 57.28 1jgu s SER 116 Cb -0.12 -0.32 -0.04 0.00 0.21 0.00 0.00 66.02 65.75 1jgu s SER 116 CO 0.00 -0.04 -0.09 -0.51 0.41 0.00 0.00 173.24 173.01 1jgu s ILE 117 N 0.74 3.44 -0.03 1.44 2.07 -1.26 -0.77 121.20 126.83 1jgu s ILE 117 Ca -0.09 -1.06 0.01 0.00 -1.41 0.00 0.00 60.65 58.10 1jgu s ILE 117 Cb -0.12 -2.55 0.02 0.00 0.13 0.00 0.00 42.46 39.94 1jgu s ILE 117 CO -0.00 0.25 -0.03 -0.36 -1.91 0.00 0.00 174.94 172.89 1jgu s PHE 118 N -1.10 0.48 0.84 3.50 0.40 0.24 -4.98 117.98 117.36 1jgu s PHE 118 Ca 0.19 -0.09 -0.12 0.00 -0.60 0.00 0.00 56.93 56.32 1jgu s PHE 118 Cb -0.11 -0.46 0.09 0.00 0.51 0.00 0.00 43.02 43.05 1jgu s PHE 118 CO 0.11 -0.12 1.14 -1.25 0.70 0.00 0.00 175.22 175.80 1jgu s PRO 119 N 0.71 1.74 0.61 0.24 0.04 -1.26 -1.30 135.00 135.78 1jgu s PRO 119 Ca -0.08 0.28 -0.19 0.00 0.04 0.00 0.00 61.00 61.05 1jgu s PRO 119 Cb -0.11 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1jgu s PRO 119 CO -0.01 -1.78 1.27 -2.14 0.04 0.00 0.00 177.00 174.38 1jgu s PRO 120 N -5.39 2.81 0.52 0.56 0.02 -1.20 -4.78 135.00 127.53 1jgu s PRO 120 Ca 0.62 2.00 -0.07 0.00 0.02 0.00 0.00 61.00 63.57 1jgu s PRO 120 Cb -0.13 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 1jgu s PRO 120 CO 0.52 -1.38 0.85 -1.54 -0.33 0.00 0.00 177.00 175.12 1jgu s SER 121 N -1.40 6.23 0.22 2.53 1.04 -1.26 -4.95 113.70 116.12 1jgu s SER 121 Ca 0.79 1.05 -0.08 0.00 0.48 0.00 0.00 55.95 58.19 1jgu s SER 121 Cb -0.35 -2.29 0.19 0.00 0.10 0.00 0.00 66.02 63.67 1jgu s SER 121 CO 0.38 -0.67 1.85 0.28 0.98 0.00 0.00 173.24 176.06 1jgu h SER 122 N 0.07 1.08 -0.45 7.02 0.02 -1.99 -1.87 113.55 117.44 1jgu h SER 122 Ca -0.46 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.38 1jgu h SER 122 Cb 1.20 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 1jgu h SER 122 CO 0.62 0.87 0.24 -0.33 -1.14 0.00 0.00 176.83 177.09 1jgu h GLU 123 N 1.21 0.63 -0.48 3.45 3.07 -1.99 -1.81 114.58 118.65 1jgu h GLU 123 Ca 0.30 -0.08 -0.10 0.00 -0.50 0.00 0.00 59.36 58.99 1jgu h GLU 123 Cb 0.03 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 1jgu h GLU 123 CO -0.05 0.51 -0.09 0.37 -1.40 0.00 0.00 179.01 178.36 1jgu h GLN 124 N 0.58 0.91 -0.55 2.33 4.15 -1.81 -2.86 115.11 117.86 1jgu h GLN 124 Ca 0.16 -0.33 0.01 0.00 0.77 0.00 0.00 58.65 59.25 1jgu h GLN 124 Cb 0.07 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1jgu h GLN 124 CO -0.02 0.98 0.36 -0.07 -1.93 0.00 0.00 178.83 178.15 1jgu h LEU 125 N 0.76 0.62 -1.90 -2.39 3.38 -1.19 -0.18 115.31 114.41 1jgu h LEU 125 Ca 0.13 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1jgu h LEU 125 Cb 0.63 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1jgu h LEU 125 CO 0.04 0.44 -0.12 0.74 0.09 0.00 0.00 178.44 179.63 1jgu h THR 126 N 0.73 0.70 -0.01 0.22 2.02 -1.10 -1.20 112.91 114.28 1jgu h THR 126 Ca 0.20 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1jgu h THR 126 Cb -0.06 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1jgu h THR 126 CO -0.05 0.12 -0.12 -1.54 0.37 0.00 0.00 175.52 174.31 1jgu n SER 127 N -3.82 0.94 0.00 4.18 3.41 -0.11 -4.93 113.62 113.29 1jgu n SER 127 Ca -0.02 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.59 1jgu n SER 127 Cb 0.22 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1jgu n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jgu n GLY 128 N 1.25 0.71 3.71 5.00 0.00 -0.45 -5.07 105.19 110.34 1jgu n GLY 128 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1jgu n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jgu s GLY 129 N -1.49 1.76 -0.30 -0.02 0.00 -1.02 -1.44 107.32 104.81 1jgu s GLY 129 Ca 0.00 -1.70 0.01 0.00 0.00 0.00 0.00 44.72 43.03 1jgu s GLY 129 CO 0.00 -1.70 0.37 0.00 0.00 0.00 0.00 173.10 171.77 1jgu s ALA 130 N -2.35 -0.89 -0.17 3.20 0.00 -0.58 -3.08 121.76 117.90 1jgu s ALA 130 Ca 0.35 -0.07 -0.06 0.00 0.00 0.00 0.00 51.96 52.18 1jgu s ALA 130 Cb -0.05 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 1jgu s ALA 130 CO 0.22 -1.78 0.02 -1.12 0.00 0.00 0.00 175.76 173.10 1jgu s SER 131 N 2.38 5.26 -0.19 0.00 0.01 -1.26 -0.56 113.70 119.33 1jgu s SER 131 Ca 0.10 -0.01 -0.06 0.00 1.31 0.00 0.00 55.95 57.28 1jgu s SER 131 Cb -0.13 -1.88 -0.03 0.00 0.21 0.00 0.00 66.02 64.18 1jgu s SER 131 CO -0.29 0.17 0.04 -0.69 0.41 0.00 0.00 173.24 172.88 1jgu s VAL 132 N 0.37 4.43 -0.03 3.43 1.01 0.21 -3.26 120.40 126.56 1jgu s VAL 132 Ca -0.00 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.86 1jgu s VAL 132 Cb -0.13 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1jgu s VAL 132 CO 0.01 0.43 -0.12 -0.69 0.00 0.00 0.00 175.10 174.74 1jgu s VAL 133 N 0.72 3.26 -0.05 2.92 1.01 -0.42 -0.60 120.40 127.24 1jgu s VAL 133 Ca 0.02 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1jgu s VAL 133 Cb -0.14 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.94 1jgu s VAL 133 CO 0.02 0.51 -0.04 0.00 0.00 0.00 0.00 175.10 175.60 1jgu s PHE 135 N 1.12 3.04 -0.39 0.00 0.08 0.05 -0.86 117.98 121.02 1jgu s PHE 135 Ca -0.08 -0.04 0.03 0.00 0.12 0.00 0.00 56.93 56.97 1jgu s PHE 135 Cb -0.14 -1.82 0.11 0.00 -0.57 0.00 0.00 43.02 40.60 1jgu s PHE 135 CO -0.01 0.25 0.12 -0.51 -0.10 0.00 0.00 175.22 174.97 1jgu s LEU 136 N -0.42 4.25 0.12 -0.37 1.02 0.43 -1.36 118.68 122.36 1jgu s LEU 136 Ca 0.07 -2.37 0.05 0.00 0.02 0.00 0.00 54.13 51.90 1jgu s LEU 136 Cb -0.12 -1.52 -0.04 0.00 0.02 0.00 0.00 46.19 44.53 1jgu s LEU 136 CO 0.02 -0.34 0.07 0.20 0.02 0.00 0.00 176.35 176.33 1jgu s ASN 137 N 0.62 5.32 -1.27 2.29 0.01 -0.12 0.15 114.94 121.94 1jgu s ASN 137 Ca 0.13 -0.14 -0.11 0.00 -0.71 0.00 0.00 52.86 52.03 1jgu s ASN 137 Cb -0.21 -1.35 -0.00 0.00 0.41 0.00 0.00 41.25 40.10 1jgu s ASN 137 CO -0.07 0.12 0.61 0.59 -1.51 0.00 0.00 177.10 176.84 1jgu n ASN 138 N 0.12 -2.73 -4.69 -1.22 4.13 -0.57 -1.32 115.26 108.98 1jgu n ASN 138 Ca -0.09 -1.02 -0.23 0.00 1.68 0.00 0.00 54.58 54.92 1jgu n ASN 138 Cb 0.53 -3.14 -0.07 0.00 -1.54 0.00 0.00 39.78 35.56 1jgu n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1jgu s PHE 139 N -3.71 2.73 -0.22 3.10 -0.71 0.23 -4.63 117.98 114.77 1jgu s PHE 139 Ca 0.24 -0.27 -0.18 0.00 -1.04 0.00 0.00 56.93 55.68 1jgu s PHE 139 Cb -0.09 -1.35 0.06 0.00 -1.21 0.00 0.00 43.02 40.43 1jgu s PHE 139 CO 0.88 0.52 0.57 -0.47 -1.34 0.00 0.00 175.22 175.39 1jgu s TYR 140 N -2.34 -0.70 1.15 3.49 5.04 -0.38 -0.77 117.35 122.84 1jgu s TYR 140 Ca 0.33 1.61 -0.17 0.00 -2.44 0.00 0.00 57.07 56.40 1jgu s TYR 140 Cb -0.05 0.29 0.26 0.00 0.35 0.00 0.00 41.96 42.81 1jgu s TYR 140 CO 0.21 -0.34 1.09 -1.25 -1.34 0.00 0.00 175.55 173.91 1jgu s PRO 141 N 0.65 -0.80 0.59 4.97 0.04 -1.26 -0.81 135.00 138.38 1jgu s PRO 141 Ca -0.03 0.18 0.37 0.00 0.04 0.00 0.00 61.00 61.57 1jgu s PRO 141 Cb -0.05 -1.62 1.80 0.00 0.04 0.00 0.00 34.50 34.67 1jgu s PRO 141 CO -0.04 -3.48 2.15 1.57 0.04 0.00 0.00 177.00 177.23 1jgu h LYS 142 N -2.42 0.00 -6.44 4.56 2.10 -1.97 -3.44 116.57 108.95 1jgu h LYS 142 Ca -0.49 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 57.62 1jgu h LYS 142 Cb 1.31 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.65 1jgu h LYS 142 CO 0.43 0.01 0.75 -0.51 -2.00 0.00 0.00 179.45 178.14 1jgu s ASP 143 N -5.53 6.89 0.04 7.07 1.11 -1.26 -5.00 116.67 119.99 1jgu s ASP 143 Ca -0.02 2.15 -0.27 0.00 0.18 0.00 0.00 52.55 54.59 1jgu s ASP 143 Cb 0.11 -2.57 0.08 0.00 1.07 0.00 0.00 42.92 41.60 1jgu s ASP 143 CO 0.50 -0.65 0.68 -0.51 1.18 0.00 0.00 175.17 176.36 1jgu s ILE 144 N 1.80 0.00 0.00 0.77 2.07 -1.26 -4.65 121.20 119.93 1jgu s ILE 144 Ca 0.63 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.89 1jgu s ILE 144 Cb -0.32 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.26 1jgu s ILE 144 CO 0.28 0.00 -0.08 0.20 -1.91 0.00 0.00 174.94 173.43 1jgu s ASN 145 N -1.97 0.93 0.01 4.50 0.01 -0.79 -5.00 114.94 112.63 1jgu s ASN 145 Ca -0.04 -0.19 0.08 0.00 -0.71 0.00 0.00 52.86 52.00 1jgu s ASN 145 Cb -0.01 -0.09 -0.02 0.00 0.41 0.00 0.00 41.25 41.54 1jgu s ASN 145 CO -0.02 0.06 -0.25 0.54 -1.51 0.00 0.00 177.10 175.92 1jgu s VAL 146 N -0.33 2.01 -0.04 1.60 0.11 -1.26 -0.68 120.40 121.81 1jgu s VAL 146 Ca 0.02 -1.20 0.02 0.00 -2.93 0.00 0.00 61.98 57.88 1jgu s VAL 146 Cb -0.04 -1.70 0.01 0.00 -1.53 0.00 0.00 36.38 33.13 1jgu s VAL 146 CO -0.00 0.46 -0.07 -0.75 -3.33 0.00 0.00 175.10 171.40 1jgu s LYS 147 N -0.89 0.97 0.01 1.54 2.20 0.08 -4.96 119.74 118.70 1jgu s LYS 147 Ca 0.10 -0.21 0.01 0.00 -0.36 0.00 0.00 55.97 55.50 1jgu s LYS 147 Cb -0.10 -0.91 -0.04 0.00 -1.51 0.00 0.00 37.83 35.27 1jgu s LYS 147 CO 0.00 0.01 0.07 -1.58 -0.36 0.00 0.00 175.35 173.49 1jgu s TRP 148 N 0.60 3.24 -0.02 4.03 0.52 -1.26 -0.40 118.94 125.65 1jgu s TRP 148 Ca -0.09 0.17 0.01 0.00 0.02 0.00 0.00 56.10 56.21 1jgu s TRP 148 Cb -0.12 -1.71 0.01 0.00 -1.15 0.00 0.00 33.47 30.50 1jgu s TRP 148 CO 0.01 0.54 -0.03 0.15 0.02 0.00 0.00 176.95 177.64 1jgu s LYS 149 N -1.86 0.41 -0.19 4.98 1.02 -0.46 -0.37 119.74 123.28 1jgu s LYS 149 Ca 0.24 -0.07 -0.00 0.00 0.02 0.00 0.00 55.97 56.16 1jgu s LYS 149 Cb -0.12 -0.47 0.01 0.00 -0.52 0.00 0.00 37.83 36.73 1jgu s LYS 149 CO 0.15 -0.01 -0.15 0.42 -0.92 0.00 0.00 175.35 174.84 1jgu s ILE 150 N 0.44 2.49 -1.42 2.17 1.01 0.13 -1.20 121.20 124.83 1jgu s ILE 150 Ca -0.05 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.72 1jgu s ILE 150 Cb -0.08 -2.08 0.05 0.00 0.01 0.00 0.00 42.46 40.36 1jgu s ILE 150 CO -0.01 0.50 0.63 0.47 0.00 0.00 0.00 174.94 176.54 1jgu n ASP 151 N 4.64 -4.77 0.00 3.58 8.00 0.15 -1.69 116.55 126.46 1jgu n ASP 151 Ca -0.20 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 54.88 1jgu n ASP 151 Cb 0.50 -3.88 0.00 0.00 -0.02 0.00 0.00 41.12 37.72 1jgu n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jgu n GLY 152 N -1.40 2.55 3.85 0.44 0.00 -1.26 -5.01 105.19 104.36 1jgu n GLY 152 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1jgu n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jgu s SER 153 N -1.81 6.41 0.31 1.61 0.01 -0.68 -4.98 113.70 114.57 1jgu s SER 153 Ca 0.00 0.49 -0.29 0.00 1.31 0.00 0.00 55.95 57.47 1jgu s SER 153 Cb 0.00 -2.10 -0.13 0.00 0.21 0.00 0.00 66.02 64.00 1jgu s SER 153 CO 0.00 0.35 1.27 -0.62 0.41 0.00 0.00 173.24 174.65 1jgu n GLU 154 N 2.26 2.00 -3.92 12.44 1.02 -1.26 -0.70 120.64 132.49 1jgu n GLU 154 Ca -0.18 0.70 -0.28 0.00 -0.02 0.00 0.00 57.16 57.38 1jgu n GLU 154 Cb 0.54 -2.27 -0.17 0.00 -0.02 0.00 0.00 31.44 29.53 1jgu n GLU 154 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1jgu s ARG 155 N -1.56 1.60 -0.18 3.49 6.06 0.50 -4.81 118.95 124.06 1jgu s ARG 155 Ca 0.58 -0.43 0.09 0.00 -2.50 0.00 0.00 55.73 53.47 1jgu s ARG 155 Cb -0.60 -1.87 -0.17 0.00 0.06 0.00 0.00 34.95 32.37 1jgu s ARG 155 CO 0.60 -0.34 -0.04 0.94 -2.50 0.00 0.00 175.30 173.95 1jgu n GLN 156 N 4.88 1.02 -2.38 5.12 7.27 -1.26 -4.23 117.38 127.80 1jgu n GLN 156 Ca -0.13 0.04 -0.41 0.00 0.07 0.00 0.00 57.00 56.58 1jgu n GLN 156 Cb 0.49 -1.41 -0.04 0.00 2.41 0.00 0.00 30.24 31.69 1jgu n GLN 156 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1jgu s ASN 157 N -5.39 7.14 0.00 1.69 0.02 -1.26 -3.65 114.94 113.48 1jgu s ASN 157 Ca -0.16 2.35 0.00 0.00 -1.02 0.00 0.00 52.86 54.03 1jgu s ASN 157 Cb 0.06 -2.63 0.00 0.00 0.02 0.00 0.00 41.25 38.70 1jgu s ASN 157 CO 0.58 -0.26 0.00 0.61 0.02 0.00 0.00 177.10 178.05 1jgu n GLY 158 N 1.28 0.65 3.72 0.66 0.00 -1.26 -4.84 105.19 105.39 1jgu n GLY 158 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1jgu n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jgu s VAL 159 N -2.18 5.35 -0.07 1.61 1.01 -1.24 -0.57 120.40 124.31 1jgu s VAL 159 Ca 0.00 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.38 1jgu s VAL 159 Cb 0.00 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.83 1jgu s VAL 159 CO 0.00 0.40 -0.14 -0.76 0.00 0.00 0.00 175.10 174.59 1jgu s LEU 160 N 0.52 1.75 0.19 3.92 1.43 0.02 -4.97 118.68 121.54 1jgu s LEU 160 Ca 0.12 -0.34 0.09 0.00 -1.03 0.00 0.00 54.13 52.97 1jgu s LEU 160 Cb -0.12 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 1jgu s LEU 160 CO 0.02 0.07 -0.11 0.20 0.23 0.00 0.00 176.35 176.75 1jgu s ASN 161 N 0.53 4.13 -0.06 2.29 0.02 -1.26 -0.66 114.94 119.93 1jgu s ASN 161 Ca -0.14 -0.64 -0.07 0.00 -1.02 0.00 0.00 52.86 51.00 1jgu s ASN 161 Cb -0.15 -0.65 0.02 0.00 0.02 0.00 0.00 41.25 40.48 1jgu s ASN 161 CO 0.04 0.10 0.19 -0.55 0.02 0.00 0.00 177.10 176.90 1jgu s SER 162 N -2.88 -0.17 -0.01 -1.22 0.15 0.16 -5.00 113.70 104.73 1jgu s SER 162 Ca 0.25 0.31 0.05 0.00 0.70 0.00 0.00 55.95 57.26 1jgu s SER 162 Cb -0.08 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.58 1jgu s SER 162 CO 0.15 -0.11 -0.17 0.26 1.20 0.00 0.00 173.24 174.56 1jgu s TRP 163 N -0.10 1.56 0.53 3.44 0.51 -1.26 -0.43 118.94 123.17 1jgu s TRP 163 Ca -0.02 -0.30 -0.06 0.00 -2.12 0.00 0.00 56.10 53.61 1jgu s TRP 163 Cb -0.02 -1.00 -0.02 0.00 -0.81 0.00 0.00 33.47 31.61 1jgu s TRP 163 CO 0.00 -0.03 0.84 0.95 -0.51 0.00 0.00 176.95 178.20 1jgu s THR 164 N -0.40 4.47 0.74 2.01 -4.23 -0.90 -5.03 115.64 112.31 1jgu s THR 164 Ca 0.06 0.17 -0.12 0.00 -1.18 0.00 0.00 61.69 60.62 1jgu s THR 164 Cb -0.07 -3.72 0.04 0.00 1.34 0.00 0.00 72.50 70.09 1jgu s THR 164 CO -0.01 -0.73 1.11 -1.81 -0.54 0.00 0.00 174.62 172.64 1jgu s ASP 165 N -4.18 5.08 0.10 3.99 1.01 -1.26 -4.59 116.67 116.83 1jgu s ASP 165 Ca 0.50 1.12 -0.34 0.00 0.71 0.00 0.00 52.55 54.54 1jgu s ASP 165 Cb -0.10 -1.86 -0.14 0.00 1.01 0.00 0.00 42.92 41.82 1jgu s ASP 165 CO 0.45 -1.57 1.59 1.67 0.21 0.00 0.00 175.17 177.52 1jgu n GLN 166 N -3.15 1.99 -1.69 8.23 7.27 -1.26 -4.80 117.38 123.96 1jgu n GLN 166 Ca 0.07 0.72 -0.44 0.00 0.07 0.00 0.00 57.00 57.42 1jgu n GLN 166 Cb 0.57 -2.48 -0.04 0.00 2.41 0.00 0.00 30.24 30.71 1jgu n GLN 166 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1jgu n ASP 167 N 3.79 3.77 0.13 1.69 -0.08 0.41 -4.86 116.55 121.40 1jgu n ASP 167 Ca 0.18 1.02 0.11 0.00 -1.51 0.00 0.00 54.79 54.59 1jgu n ASP 167 Cb 0.27 -1.50 0.50 0.00 2.34 0.00 0.00 41.12 42.73 1jgu n ASP 167 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1jgu n SER 168 N 5.04 0.63 -0.12 1.67 3.41 -1.26 -0.83 113.62 122.16 1jgu n SER 168 Ca 0.18 0.68 -0.20 0.00 -0.26 0.00 0.00 58.87 59.27 1jgu n SER 168 Cb 0.34 -0.80 -0.10 0.00 -0.26 0.00 0.00 64.21 63.39 1jgu n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jgu n LYS 169 N -2.22 0.56 -0.03 4.33 4.76 -1.26 -4.74 118.16 119.56 1jgu n LYS 169 Ca 0.01 0.17 0.02 0.00 -2.87 0.00 0.00 58.31 55.64 1jgu n LYS 169 Cb 0.19 -1.43 0.04 0.00 -1.84 0.00 0.00 35.03 31.98 1jgu n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1jgu n ASP 170 N -3.49 1.84 -0.78 4.39 5.68 -1.24 -5.00 116.55 117.95 1jgu n ASP 170 Ca -0.44 -1.57 -0.10 0.00 -0.50 0.00 0.00 54.79 52.18 1jgu n ASP 170 Cb 0.91 -0.04 -0.04 0.00 -1.14 0.00 0.00 41.12 40.80 1jgu n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1jgu n SER 171 N 0.08 -5.52 -4.69 -1.12 7.64 -0.01 -4.97 113.62 105.04 1jgu n SER 171 Ca 0.03 0.25 -0.23 0.00 1.01 0.00 0.00 58.87 59.93 1jgu n SER 171 Cb 0.21 -3.91 0.11 0.00 -1.01 0.00 0.00 64.21 59.60 1jgu n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1jgu s THR 172 N -1.95 2.15 0.23 0.44 -4.23 -1.26 -4.60 115.64 106.41 1jgu s THR 172 Ca 0.00 -0.60 0.08 0.00 -1.18 0.00 0.00 61.69 59.99 1jgu s THR 172 Cb 0.00 -2.55 -0.05 0.00 1.34 0.00 0.00 72.50 71.24 1jgu s THR 172 CO 0.00 0.00 -0.13 -0.31 -0.54 0.00 0.00 174.62 173.64 1jgu s TYR 173 N -3.13 1.81 0.04 3.99 2.02 0.05 -0.45 117.35 121.69 1jgu s TYR 173 Ca 0.66 -0.58 -0.04 0.00 -0.37 0.00 0.00 57.07 56.74 1jgu s TYR 173 Cb -0.05 -0.88 -0.02 0.00 -0.40 0.00 0.00 41.96 40.61 1jgu s TYR 173 CO 0.44 0.37 0.06 -1.12 -1.57 0.00 0.00 175.55 173.73 1jgu s SER 174 N -3.36 0.25 0.01 2.29 0.01 -1.26 -0.60 113.70 111.03 1jgu s SER 174 Ca 0.25 -0.64 -0.00 0.00 1.31 0.00 0.00 55.95 56.86 1jgu s SER 174 Cb -0.00 0.22 -0.01 0.00 0.21 0.00 0.00 66.02 66.44 1jgu s SER 174 CO 0.09 -0.52 -0.01 -0.32 0.41 0.00 0.00 173.24 172.88 1jgu s MET 175 N -2.87 0.16 -0.10 12.44 1.75 0.12 -2.11 119.30 128.69 1jgu s MET 175 Ca -0.03 -0.29 0.03 0.00 -1.25 0.00 0.00 55.69 54.15 1jgu s MET 175 Cb 0.00 0.06 0.01 0.00 2.84 0.00 0.00 34.83 37.74 1jgu s MET 175 CO -0.06 -0.03 -0.19 0.45 -0.65 0.00 0.00 175.02 174.55 1jgu s SER 176 N -0.71 2.59 -0.10 1.11 0.15 0.43 -0.42 113.70 116.75 1jgu s SER 176 Ca -0.08 -0.47 0.02 0.00 0.70 0.00 0.00 55.95 56.13 1jgu s SER 176 Cb -0.05 -1.19 0.01 0.00 -1.71 0.00 0.00 66.02 63.09 1jgu s SER 176 CO -0.00 0.08 -0.16 -0.55 1.20 0.00 0.00 173.24 173.81 1jgu s SER 177 N 0.63 2.41 -0.13 5.45 0.15 -0.03 -0.67 113.70 121.51 1jgu s SER 177 Ca -0.14 -0.42 0.02 0.00 0.70 0.00 0.00 55.95 56.11 1jgu s SER 177 Cb -0.16 -1.09 0.01 0.00 -1.71 0.00 0.00 66.02 63.07 1jgu s SER 177 CO 0.04 0.05 -0.19 -0.89 1.20 0.00 0.00 173.24 173.44 1jgu s THR 178 N 0.79 1.82 -0.40 6.45 2.01 0.16 -0.91 115.64 125.58 1jgu s THR 178 Ca -0.11 -0.84 -0.13 0.00 0.31 0.00 0.00 61.69 60.93 1jgu s THR 178 Cb -0.16 -1.63 0.03 0.00 0.01 0.00 0.00 72.50 70.75 1jgu s THR 178 CO 0.02 0.50 0.26 -0.22 -0.69 0.00 0.00 174.62 174.49 1jgu s LEU 179 N 0.87 4.94 -0.19 4.42 2.96 0.23 -0.80 118.68 131.11 1jgu s LEU 179 Ca -0.07 -0.97 -0.08 0.00 -0.22 0.00 0.00 54.13 52.79 1jgu s LEU 179 Cb -0.15 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 1jgu s LEU 179 CO -0.01 -0.43 0.07 -0.89 -1.32 0.00 0.00 176.35 173.77 1jgu s THR 180 N 1.61 4.82 0.37 3.68 2.01 0.26 -0.62 115.64 127.77 1jgu s THR 180 Ca 0.03 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.05 1jgu s THR 180 Cb -0.19 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1jgu s THR 180 CO 0.08 0.44 0.12 -0.76 -0.69 0.00 0.00 174.62 173.81 1jgu s LEU 181 N 0.54 1.98 0.50 4.42 1.43 0.27 -4.66 118.68 123.16 1jgu s LEU 181 Ca 0.04 -1.58 -0.04 0.00 -1.03 0.00 0.00 54.13 51.51 1jgu s LEU 181 Cb -0.13 -0.13 -0.02 0.00 0.03 0.00 0.00 46.19 45.95 1jgu s LEU 181 CO 0.01 -0.85 0.79 0.42 0.23 0.00 0.00 176.35 176.95 1jgu s THR 182 N -3.30 4.38 0.26 5.49 -4.23 -1.26 -1.52 115.64 115.46 1jgu s THR 182 Ca 0.28 -0.02 -0.04 0.00 -1.18 0.00 0.00 61.69 60.74 1jgu s THR 182 Cb 0.04 -3.67 0.27 0.00 1.34 0.00 0.00 72.50 70.48 1jgu s THR 182 CO 0.15 -0.63 1.91 0.50 -0.54 0.00 0.00 174.62 176.01 1jgu h LYS 183 N 0.16 1.23 -0.13 3.99 3.64 -1.46 -1.82 116.57 122.18 1jgu h LYS 183 Ca -0.46 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 58.88 1jgu h LYS 183 Cb 1.23 -0.28 -0.05 0.00 -0.41 0.00 0.00 32.23 32.72 1jgu h LYS 183 CO 0.61 0.82 -0.16 0.22 -2.27 0.00 0.00 179.45 178.66 1jgu h ASP 184 N 1.27 -0.50 -0.76 4.20 3.58 -1.93 -0.59 116.42 121.68 1jgu h ASP 184 Ca 0.40 0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.89 1jgu h ASP 184 Cb 0.01 0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.26 1jgu h ASP 184 CO -0.13 -0.21 0.28 -0.33 -2.88 0.00 0.00 179.24 175.97 1jgu h GLU 185 N -0.20 1.16 -0.82 0.28 5.08 -1.85 -2.72 114.58 115.51 1jgu h GLU 185 Ca 0.09 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1jgu h GLU 185 Cb 0.34 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1jgu h GLU 185 CO -0.25 0.96 0.47 -0.92 -1.00 0.00 0.00 179.01 178.27 1jgu h TYR 186 N 1.12 1.10 0.00 4.33 3.20 -0.80 -1.80 116.97 124.12 1jgu h TYR 186 Ca 0.25 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1jgu h TYR 186 Cb 0.26 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.17 1jgu h TYR 186 CO 0.02 0.76 0.00 0.39 -1.64 0.00 0.00 178.16 177.69 1jgu n GLU 187 N -4.42 0.81 0.07 1.82 1.02 -0.28 -2.93 120.64 116.72 1jgu n GLU 187 Ca 0.08 0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.34 1jgu n GLU 187 Cb 0.08 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.94 1jgu n GLU 187 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1jgu n ARG 188 N -1.05 0.62 -4.52 3.49 0.63 -0.68 -4.95 116.66 110.20 1jgu n ARG 188 Ca 0.20 0.02 -0.24 0.00 -0.92 0.00 0.00 57.85 56.90 1jgu n ARG 188 Cb 0.12 -1.72 -0.11 0.00 0.45 0.00 0.00 32.46 31.20 1jgu n ARG 188 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1jgu s HIS 189 N -3.42 2.16 0.00 -0.14 3.76 -1.15 -5.09 115.29 111.41 1jgu s HIS 189 Ca -0.03 -0.86 0.00 0.00 -0.15 0.00 0.00 55.06 54.02 1jgu s HIS 189 Cb 0.11 -1.47 0.00 0.00 1.11 0.00 0.00 32.58 32.33 1jgu s HIS 189 CO 0.83 0.16 0.00 -1.71 -0.85 0.00 0.00 174.74 173.17 1jgu n ASN 190 N -0.82 2.85 -4.58 1.40 5.15 -1.26 -4.82 115.26 113.19 1jgu n ASN 190 Ca -0.04 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.55 1jgu n ASN 190 Cb 0.67 0.15 -0.09 0.00 -0.53 0.00 0.00 39.78 39.98 1jgu n ASN 190 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1jgu s SER 191 N -2.99 6.20 -0.13 1.20 0.15 -1.26 -0.45 113.70 116.42 1jgu s SER 191 Ca 0.00 0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.70 1jgu s SER 191 Cb 0.00 -2.20 -0.00 0.00 -1.71 0.00 0.00 66.02 62.11 1jgu s SER 191 CO 0.00 -0.25 -0.18 -0.31 1.20 0.00 0.00 173.24 173.70 1jgu s TYR 192 N 2.04 2.71 0.00 3.44 2.02 -0.66 0.34 117.35 127.24 1jgu s TYR 192 Ca 0.13 -1.02 0.02 0.00 -0.37 0.00 0.00 57.07 55.83 1jgu s TYR 192 Cb -0.16 -1.82 -0.01 0.00 -0.40 0.00 0.00 41.96 39.57 1jgu s TYR 192 CO 0.11 -0.43 -0.05 0.99 -1.57 0.00 0.00 175.55 174.59 1jgu s THR 193 N 0.60 0.40 -0.06 -0.71 2.01 -0.34 -1.72 115.64 115.82 1jgu s THR 193 Ca -0.10 -0.29 0.04 0.00 0.31 0.00 0.00 61.69 61.65 1jgu s THR 193 Cb -0.16 -0.35 -0.00 0.00 0.01 0.00 0.00 72.50 72.00 1jgu s THR 193 CO 0.03 0.06 -0.19 0.00 -0.69 0.00 0.00 174.62 173.84 1jgu s GLU 195 N 0.20 2.13 -0.13 0.00 2.02 0.46 -1.57 118.70 121.81 1jgu s GLU 195 Ca -0.09 -0.68 -0.02 0.00 0.02 0.00 0.00 54.97 54.20 1jgu s GLU 195 Cb -0.14 -1.78 -0.02 0.00 0.10 0.00 0.00 34.13 32.29 1jgu s GLU 195 CO 0.04 0.23 -0.08 0.00 0.02 0.00 0.00 175.26 175.47 1jgu s ALA 196 N 0.14 2.84 -0.20 5.21 0.00 0.31 -0.74 121.76 129.31 1jgu s ALA 196 Ca -0.08 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 1jgu s ALA 196 Cb -0.14 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 1jgu s ALA 196 CO 0.04 0.27 -0.05 0.99 0.00 0.00 0.00 175.76 177.01 1jgu s THR 197 N 0.22 3.45 0.00 0.00 2.01 0.14 -0.12 115.64 121.34 1jgu s THR 197 Ca -0.05 -0.48 -0.11 0.00 0.31 0.00 0.00 61.69 61.36 1jgu s THR 197 Cb -0.15 -2.55 0.01 0.00 0.01 0.00 0.00 72.50 69.83 1jgu s THR 197 CO 0.04 0.44 0.22 -2.28 -0.69 0.00 0.00 174.62 172.35 1jgu s HIS 198 N 1.21 -0.05 0.13 4.92 5.04 -1.26 -1.89 115.29 123.39 1jgu s HIS 198 Ca 0.03 0.02 0.24 0.00 -1.54 0.00 0.00 55.06 53.80 1jgu s HIS 198 Cb -0.14 0.02 1.30 0.00 0.04 0.00 0.00 32.58 33.79 1jgu s HIS 198 CO -0.01 -0.35 1.70 1.57 -2.34 0.00 0.00 174.74 175.31 1jgu h LYS 199 N 4.01 0.00 0.00 2.88 2.10 -1.95 -1.71 116.57 121.90 1jgu h LYS 199 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1jgu h LYS 199 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1jgu h LYS 199 CO 0.41 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.11 1jgu n THR 200 N -2.42 0.04 -3.74 0.07 -2.24 -1.26 -4.75 114.28 99.98 1jgu n THR 200 Ca -0.02 0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 1jgu n THR 200 Cb 0.18 -0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 67.72 1jgu n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1jgu s SER 201 N -2.14 -0.42 0.10 3.42 0.15 -0.64 -4.98 113.70 109.19 1jgu s SER 201 Ca 0.37 0.80 -0.14 0.00 0.70 0.00 0.00 55.95 57.67 1jgu s SER 201 Cb 0.18 0.80 -0.10 0.00 -1.71 0.00 0.00 66.02 65.20 1jgu s SER 201 CO 0.33 -0.14 1.39 0.74 1.20 0.00 0.00 173.24 176.76 1jgu h THR 202 N 4.56 1.30 -2.65 6.45 2.02 -1.85 -3.41 112.91 119.33 1jgu h THR 202 Ca -0.27 -1.57 -0.56 0.00 0.77 0.00 0.00 66.41 64.77 1jgu h THR 202 Cb 1.18 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 69.22 1jgu h THR 202 CO 0.26 0.50 -0.50 -0.94 0.37 0.00 0.00 175.52 175.21 1jgu s SER 203 N -6.67 6.07 0.59 4.18 1.04 -1.26 -5.01 113.70 112.64 1jgu s SER 203 Ca -0.12 0.09 -0.18 0.00 0.48 0.00 0.00 55.95 56.22 1jgu s SER 203 Cb 0.09 -1.76 -0.03 0.00 0.10 0.00 0.00 66.02 64.41 1jgu s SER 203 CO 0.85 0.07 1.13 -2.16 0.98 0.00 0.00 173.24 174.11 1jgu s PRO 204 N -3.10 3.10 -0.19 4.02 0.04 -1.26 -4.86 135.00 132.75 1jgu s PRO 204 Ca 0.33 1.57 -0.25 0.00 0.04 0.00 0.00 61.00 62.69 1jgu s PRO 204 Cb -0.11 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 1jgu s PRO 204 CO 0.27 -1.04 0.83 0.42 0.04 0.00 0.00 177.00 177.51 1jgu s ILE 205 N -1.94 4.87 -0.08 0.56 1.01 0.83 -4.82 121.20 121.64 1jgu s ILE 205 Ca 0.71 1.60 0.00 0.00 0.00 0.00 0.00 60.65 62.97 1jgu s ILE 205 Cb -0.24 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 1jgu s ILE 205 CO 0.33 0.00 -0.07 -0.69 0.00 0.00 0.00 174.94 174.51 1jgu s VAL 206 N 2.33 3.67 -0.02 2.92 1.01 -1.26 -0.53 120.40 128.51 1jgu s VAL 206 Ca 0.37 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1jgu s VAL 206 Cb -0.16 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1jgu s VAL 206 CO 0.11 0.58 -0.08 -0.54 0.00 0.00 0.00 175.10 175.17 1jgu s LYS 207 N -0.61 0.89 0.21 2.72 -0.14 -0.61 -5.03 119.74 117.17 1jgu s LYS 207 Ca 0.09 -0.28 -0.14 0.00 -1.36 0.00 0.00 55.97 54.28 1jgu s LYS 207 Cb -0.12 -0.84 0.01 0.00 -1.68 0.00 0.00 37.83 35.20 1jgu s LYS 207 CO 0.02 0.10 0.46 0.45 -0.76 0.00 0.00 175.35 175.62 1jgu s SER 208 N 0.20 -0.13 0.18 2.83 0.15 -1.26 -1.18 113.70 114.50 1jgu s SER 208 Ca -0.03 -0.72 -0.20 0.00 0.70 0.00 0.00 55.95 55.70 1jgu s SER 208 Cb -0.08 0.55 0.05 0.00 -1.71 0.00 0.00 66.02 64.83 1jgu s SER 208 CO 0.00 -1.05 0.57 0.72 1.20 0.00 0.00 173.24 174.68 1jgu s PHE 209 N -3.94 -0.32 -0.17 3.44 -0.12 -0.70 -5.02 117.98 111.15 1jgu s PHE 209 Ca 0.15 0.01 -0.01 0.00 -0.05 0.00 0.00 56.93 57.04 1jgu s PHE 209 Cb -0.00 0.49 -0.00 0.00 -0.63 0.00 0.00 43.02 42.88 1jgu s PHE 209 CO 0.02 -0.91 -0.12 -0.80 -0.05 0.00 0.00 175.22 173.36 1jgu s ASN 210 N -2.82 3.90 0.16 1.98 0.01 -1.26 -1.65 114.94 115.26 1jgu s ASN 210 Ca 0.05 -0.42 -0.22 0.00 -0.71 0.00 0.00 52.86 51.56 1jgu s ASN 210 Cb -0.01 -1.62 0.06 0.00 0.41 0.00 0.00 41.25 40.08 1jgu s ASN 210 CO -0.07 0.07 1.62 -0.09 -1.51 0.00 0.00 177.10 177.12 1jgu h ARG 211 N 7.45 -0.22 0.00 -0.60 2.43 -1.08 -1.76 114.38 120.61 1jgu h ARG 211 Ca -0.35 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1jgu h ARG 211 Cb 1.18 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1jgu h ARG 211 CO 0.59 -0.15 0.00 0.27 -1.51 0.00 0.00 179.97 179.17 1jgu n ASN 212 N -5.40 0.00 0.00 -3.80 6.94 -1.26 0.15 115.26 111.89 1jgu n ASN 212 Ca 0.01 0.35 0.10 0.00 -0.02 0.00 0.00 54.58 55.02 1jgu n ASN 212 Cb 0.31 -0.35 -0.10 0.00 -2.36 0.00 0.00 39.78 37.28 1jgu n ASN 212 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1jgu n GLU 213 N -1.35 0.17 0.00 -3.83 1.02 -0.67 -5.27 120.64 110.71 1jgu n GLU 213 Ca 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1jgu n GLU 213 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 1jgu n GLU 213 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31