#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gmp s GLN 2 N 0.00 4.20 -0.05 9.51 -0.21 -1.26 -4.77 119.66 127.08 3gmp s GLN 2 Ca 0.00 1.50 0.05 0.00 0.02 0.00 0.00 55.36 56.93 3gmp s GLN 2 Cb 0.00 -2.55 -0.01 0.00 1.00 0.00 0.00 33.01 31.45 3gmp s GLN 2 CO 0.00 -0.11 -0.21 0.15 -2.12 0.00 0.00 175.29 173.00 3gmp s LYS 3 N -2.48 2.13 0.13 2.91 1.02 0.72 -4.91 119.74 119.26 3gmp s LYS 3 Ca 0.57 -0.75 -0.30 0.00 0.02 0.00 0.00 55.97 55.51 3gmp s LYS 3 Cb -0.22 -1.83 -0.07 0.00 -0.52 0.00 0.00 37.83 35.20 3gmp s LYS 3 CO 0.27 0.32 1.17 0.99 -0.92 0.00 0.00 175.35 177.17 3gmp s THR 4 N -0.08 3.88 0.46 2.17 2.01 -1.26 -1.81 115.64 121.01 3gmp s THR 4 Ca -0.03 1.48 -0.24 0.00 0.31 0.00 0.00 61.69 63.21 3gmp s THR 4 Cb -0.12 -3.95 -0.07 0.00 0.01 0.00 0.00 72.50 68.37 3gmp s THR 4 CO 0.03 0.19 1.30 -2.16 -0.69 0.00 0.00 174.62 173.29 3gmp s PRO 5 N 0.29 3.65 -0.06 4.92 0.04 -1.26 -4.43 135.00 138.16 3gmp s PRO 5 Ca 0.54 2.13 -0.02 0.00 0.04 0.00 0.00 61.00 63.69 3gmp s PRO 5 Cb -0.30 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 3gmp s PRO 5 CO 0.33 -0.74 0.07 -1.14 0.04 0.00 0.00 177.00 175.56 3gmp s GLN 6 N -2.55 3.13 -0.08 4.56 0.74 0.23 -4.94 119.66 120.75 3gmp s GLN 6 Ca 0.63 -0.38 0.00 0.00 0.05 0.00 0.00 55.36 55.67 3gmp s GLN 6 Cb -0.37 -2.92 0.02 0.00 1.10 0.00 0.00 33.01 30.84 3gmp s GLN 6 CO 0.46 0.70 -0.07 0.42 -0.55 0.00 0.00 175.29 176.25 3gmp s ILE 7 N -1.06 0.87 -0.03 -2.34 1.01 -1.26 -1.20 121.20 117.18 3gmp s ILE 7 Ca 0.18 -0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.65 3gmp s ILE 7 Cb -0.12 -0.88 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 3gmp s ILE 7 CO 0.08 0.32 -0.22 -1.10 0.00 0.00 0.00 174.94 174.02 3gmp s GLN 8 N 1.35 1.97 -0.08 2.79 -0.21 -0.51 -4.99 119.66 119.97 3gmp s GLN 8 Ca -0.03 -0.79 0.02 0.00 0.02 0.00 0.00 55.36 54.58 3gmp s GLN 8 Cb -0.14 -1.81 0.01 0.00 1.00 0.00 0.00 33.01 32.07 3gmp s GLN 8 CO -0.03 0.42 -0.14 0.08 -2.12 0.00 0.00 175.29 173.50 3gmp s VAL 9 N -0.36 1.31 0.08 1.09 1.01 -1.26 -0.63 120.40 121.65 3gmp s VAL 9 Ca 0.04 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.23 3gmp s VAL 9 Cb -0.10 -1.19 0.06 0.00 0.00 0.00 0.00 36.38 35.14 3gmp s VAL 9 CO 0.01 0.40 0.54 -0.72 0.00 0.00 0.00 175.10 175.33 3gmp s TYR 10 N 0.76 -0.45 0.20 5.22 1.13 -0.69 -4.73 117.35 118.79 3gmp s TYR 10 Ca -0.12 0.40 -0.04 0.00 -1.41 0.00 0.00 57.07 55.90 3gmp s TYR 10 Cb -0.16 0.40 -0.05 0.00 -1.10 0.00 0.00 41.96 41.05 3gmp s TYR 10 CO 0.02 -0.71 0.43 -1.12 -2.51 0.00 0.00 175.55 171.67 3gmp s SER 11 N -2.26 6.46 0.09 -0.18 0.01 0.68 -0.47 113.70 118.03 3gmp s SER 11 Ca -0.03 0.58 -0.10 0.00 1.31 0.00 0.00 55.95 57.71 3gmp s SER 11 Cb -0.00 -2.09 -0.19 0.00 0.21 0.00 0.00 66.02 63.95 3gmp s SER 11 CO -0.06 -0.04 1.22 -0.09 0.41 0.00 0.00 173.24 174.68 3gmp h ARG 12 N 2.28 0.58 -5.73 12.44 9.65 -1.45 -3.47 114.38 128.68 3gmp h ARG 12 Ca -0.47 -0.65 -0.58 0.00 -1.10 0.00 0.00 59.98 57.18 3gmp h ARG 12 Cb 1.18 0.19 -0.14 0.00 -1.39 0.00 0.00 29.97 29.81 3gmp h ARG 12 CO 0.69 1.26 -0.66 -1.01 2.80 0.00 0.00 179.97 183.05 3gmp s HIS 13 N -3.23 2.27 0.14 2.20 3.76 -1.26 -5.03 115.29 114.14 3gmp s HIS 13 Ca -0.08 -0.61 -0.34 0.00 -0.15 0.00 0.00 55.06 53.87 3gmp s HIS 13 Cb 0.07 -1.37 -0.14 0.00 1.11 0.00 0.00 32.58 32.25 3gmp s HIS 13 CO 0.90 0.44 1.54 -2.30 -0.85 0.00 0.00 174.74 174.48 3gmp n PRO 14 N -0.76 1.99 -2.45 8.40 -0.02 -1.26 -4.83 135.00 136.07 3gmp n PRO 14 Ca -0.05 0.72 -0.43 0.00 -2.02 0.00 0.00 63.50 61.72 3gmp n PRO 14 Cb 0.64 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 3gmp n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gmp s PRO 15 N 0.89 3.96 -0.10 0.52 0.04 -1.26 -4.98 135.00 134.07 3gmp s PRO 15 Ca 0.80 1.26 0.03 0.00 0.04 0.00 0.00 61.00 63.13 3gmp s PRO 15 Cb -0.72 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 29.97 3gmp s PRO 15 CO 0.39 -1.06 -0.21 -2.00 0.04 0.00 0.00 177.00 174.16 3gmp s GLU 16 N 4.05 2.78 0.30 4.56 2.12 -1.26 -5.08 118.70 126.17 3gmp s GLU 16 Ca 0.55 -0.78 -0.30 0.00 0.36 0.00 0.00 54.97 54.80 3gmp s GLU 16 Cb -0.16 -2.15 -0.12 0.00 0.26 0.00 0.00 34.13 31.96 3gmp s GLU 16 CO 0.21 0.11 1.58 0.09 -0.54 0.00 0.00 175.26 176.71 3gmp n ASN 17 N 3.68 3.80 0.00 -1.70 3.02 -1.26 -1.79 115.26 121.01 3gmp n ASN 17 Ca -0.20 1.16 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 3gmp n ASN 17 Cb 0.52 -1.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 3gmp n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gmp n GLY 18 N 1.97 1.44 3.46 7.41 0.00 0.50 -4.99 105.19 114.98 3gmp n GLY 18 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3gmp n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gmp s LYS 19 N -0.24 3.68 0.40 1.61 2.20 -0.74 -4.98 119.74 121.67 3gmp s LYS 19 Ca 0.00 -0.46 -0.25 0.00 -0.36 0.00 0.00 55.97 54.90 3gmp s LYS 19 Cb 0.00 -3.37 -0.11 0.00 -1.51 0.00 0.00 37.83 32.84 3gmp s LYS 19 CO 0.00 -0.19 1.06 -2.30 -0.36 0.00 0.00 175.35 173.55 3gmp n PRO 20 N 4.94 1.47 -2.01 4.03 -0.02 -1.26 -4.26 135.00 137.88 3gmp n PRO 20 Ca -0.16 0.52 -0.03 0.00 -2.02 0.00 0.00 63.50 61.81 3gmp n PRO 20 Cb 0.51 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3gmp n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3gmp n ASN 21 N 0.58 -0.63 -3.99 2.55 2.85 0.99 -4.99 115.26 112.63 3gmp n ASN 21 Ca 0.09 -1.53 -0.23 0.00 -0.11 0.00 0.00 54.58 52.80 3gmp n ASN 21 Cb 0.38 1.08 -0.16 0.00 1.24 0.00 0.00 39.78 42.32 3gmp n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3gmp s ILE 22 N -2.67 0.97 -0.17 -1.44 1.01 -1.26 -1.23 121.20 116.40 3gmp s ILE 22 Ca 0.06 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 3gmp s ILE 22 Cb -0.01 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 3gmp s ILE 22 CO 0.05 0.32 0.02 -0.22 0.00 0.00 0.00 174.94 175.10 3gmp s LEU 23 N 0.74 3.54 -0.01 2.97 2.96 0.10 -1.17 118.68 127.82 3gmp s LEU 23 Ca -0.14 -0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.73 3gmp s LEU 23 Cb -0.15 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 3gmp s LEU 23 CO 0.03 0.16 0.15 0.20 -1.32 0.00 0.00 176.35 175.57 3gmp s ASN 24 N 0.43 6.16 -0.22 3.68 0.01 0.38 -1.14 114.94 124.23 3gmp s ASN 24 Ca -0.00 0.28 -0.00 0.00 -0.71 0.00 0.00 52.86 52.43 3gmp s ASN 24 Cb -0.13 -1.89 0.06 0.00 0.41 0.00 0.00 41.25 39.70 3gmp s ASN 24 CO 0.02 0.27 -0.03 0.00 -1.51 0.00 0.00 177.10 175.85 3gmp s TYR 26 N 1.55 3.24 -0.15 0.00 5.04 0.20 -0.80 117.35 126.43 3gmp s TYR 26 Ca -0.04 0.07 0.01 0.00 -2.44 0.00 0.00 57.07 54.67 3gmp s TYR 26 Cb -0.18 -2.30 -0.00 0.00 0.35 0.00 0.00 41.96 39.83 3gmp s TYR 26 CO -0.07 -0.08 -0.16 0.08 -1.34 0.00 0.00 175.55 173.98 3gmp s VAL 27 N 1.38 2.62 0.22 3.14 1.01 0.01 -1.43 120.40 127.33 3gmp s VAL 27 Ca 0.07 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.26 3gmp s VAL 27 Cb -0.15 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 3gmp s VAL 27 CO 0.07 0.52 0.09 0.42 0.00 0.00 0.00 175.10 176.20 3gmp s THR 28 N 0.75 0.35 -1.15 3.92 -4.23 -0.34 -1.20 115.64 113.75 3gmp s THR 28 Ca -0.07 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 3gmp s THR 28 Cb -0.16 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.22 3gmp s THR 28 CO 0.01 -0.11 0.00 0.00 -0.54 0.00 0.00 174.62 173.97 3gmp n GLN 29 N -0.34 -0.92 -4.11 3.99 1.13 -0.62 -0.60 117.38 115.91 3gmp n GLN 29 Ca -0.01 0.73 -0.25 0.00 -1.94 0.00 0.00 57.00 55.54 3gmp n GLN 29 Cb 0.65 -4.84 -0.05 0.00 0.11 0.00 0.00 30.24 26.11 3gmp n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 3gmp s PHE 30 N -2.54 3.09 -0.28 1.08 -0.71 -1.21 -4.19 117.98 113.22 3gmp s PHE 30 Ca 0.00 -0.07 -0.20 0.00 -1.04 0.00 0.00 56.93 55.63 3gmp s PHE 30 Cb 0.00 -1.45 0.08 0.00 -1.21 0.00 0.00 43.02 40.45 3gmp s PHE 30 CO 0.00 0.52 0.74 -1.58 -1.34 0.00 0.00 175.22 173.57 3gmp s HIS 31 N -1.89 -0.90 1.00 3.49 2.46 -0.75 -1.73 115.29 116.96 3gmp s HIS 31 Ca 0.31 1.93 -0.16 0.00 0.47 0.00 0.00 55.06 57.61 3gmp s HIS 31 Cb -0.09 0.47 0.20 0.00 -0.13 0.00 0.00 32.58 33.04 3gmp s HIS 31 CO 0.23 -0.44 1.25 -1.25 -2.47 0.00 0.00 174.74 172.06 3gmp s PRO 32 N 1.11 0.40 0.29 2.88 0.04 -1.26 -0.20 135.00 138.26 3gmp s PRO 32 Ca -0.06 -0.22 0.26 0.00 0.04 0.00 0.00 61.00 61.02 3gmp s PRO 32 Cb -0.05 -1.80 0.94 0.00 0.04 0.00 0.00 34.50 33.63 3gmp s PRO 32 CO -0.12 -2.60 1.76 -1.00 0.04 0.00 0.00 177.00 175.08 3gmp h PRO 33 N -1.78 0.00 -6.44 0.56 0.13 -2.00 -3.44 132.00 119.03 3gmp h PRO 33 Ca -0.45 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.14 3gmp h PRO 33 Cb 1.27 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.41 3gmp h PRO 33 CO 0.42 0.00 0.86 -1.58 -0.23 0.00 0.00 178.00 177.48 3gmp s HIS 34 N -3.29 2.80 0.06 1.56 2.46 -1.26 -4.96 115.29 112.66 3gmp s HIS 34 Ca 0.06 0.69 -0.22 0.00 0.47 0.00 0.00 55.06 56.05 3gmp s HIS 34 Cb 0.10 -3.77 0.05 0.00 -0.13 0.00 0.00 32.58 28.83 3gmp s HIS 34 CO 0.49 -2.90 0.52 -1.50 -2.47 0.00 0.00 174.74 168.87 3gmp s ILE 35 N 2.18 0.03 -0.09 0.89 2.07 -1.26 -4.64 121.20 120.37 3gmp s ILE 35 Ca 0.67 -0.25 0.04 0.00 -1.41 0.00 0.00 60.65 59.70 3gmp s ILE 35 Cb -0.35 -0.99 0.00 0.00 0.13 0.00 0.00 42.46 41.25 3gmp s ILE 35 CO 0.29 -0.14 -0.22 -1.61 -1.91 0.00 0.00 174.94 171.36 3gmp s GLU 36 N -2.60 2.80 -0.05 3.50 2.02 -0.57 -5.00 118.70 118.81 3gmp s GLU 36 Ca -0.04 -0.80 0.03 0.00 0.02 0.00 0.00 54.97 54.18 3gmp s GLU 36 Cb -0.01 -2.14 0.01 0.00 0.10 0.00 0.00 34.13 32.09 3gmp s GLU 36 CO -0.03 0.15 -0.12 0.42 0.02 0.00 0.00 175.26 175.70 3gmp s ILE 37 N 0.40 1.11 0.03 -1.63 1.01 -1.26 -1.08 121.20 119.78 3gmp s ILE 37 Ca -0.18 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.02 3gmp s ILE 37 Cb -0.18 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 3gmp s ILE 37 CO 0.08 0.34 -0.15 -1.10 0.00 0.00 0.00 174.94 174.11 3gmp s GLN 38 N 0.41 1.04 -0.04 2.79 -0.21 -0.28 -5.00 119.66 118.38 3gmp s GLN 38 Ca -0.09 -0.71 -0.01 0.00 0.02 0.00 0.00 55.36 54.56 3gmp s GLN 38 Cb -0.13 -1.05 -0.04 0.00 1.00 0.00 0.00 33.01 32.79 3gmp s GLN 38 CO 0.03 0.27 0.06 -1.64 -2.12 0.00 0.00 175.29 171.88 3gmp s MET 39 N -0.93 3.04 -0.02 2.91 -1.94 -1.26 -0.68 119.30 120.43 3gmp s MET 39 Ca 0.03 -0.45 0.07 0.00 -1.71 0.00 0.00 55.69 53.64 3gmp s MET 39 Cb -0.07 -2.85 -0.02 0.00 2.01 0.00 0.00 34.83 33.90 3gmp s MET 39 CO 0.01 0.67 -0.24 -0.51 -0.01 0.00 0.00 175.02 174.94 3gmp s LEU 40 N -1.42 2.05 -0.17 -0.03 1.43 0.42 -0.56 118.68 120.40 3gmp s LEU 40 Ca 0.19 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 3gmp s LEU 40 Cb -0.12 -1.21 0.02 0.00 0.03 0.00 0.00 46.19 44.91 3gmp s LEU 40 CO 0.09 0.29 -0.17 -0.75 0.23 0.00 0.00 176.35 176.04 3gmp s LYS 41 N -0.59 2.69 -1.60 1.70 2.20 0.55 -1.50 119.74 123.19 3gmp s LYS 41 Ca 0.09 -0.74 -0.14 0.00 -0.36 0.00 0.00 55.97 54.83 3gmp s LYS 41 Cb -0.09 -2.40 0.11 0.00 -1.51 0.00 0.00 37.83 33.94 3gmp s LYS 41 CO -0.01 -0.23 0.77 0.09 -0.36 0.00 0.00 175.35 175.60 3gmp n ASN 42 N 4.67 -3.07 0.00 1.43 3.02 -0.12 -1.81 115.26 119.39 3gmp n ASN 42 Ca -0.19 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 3gmp n ASN 42 Cb 0.50 -3.11 0.00 0.00 -0.61 0.00 0.00 39.78 36.55 3gmp n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gmp n GLY 43 N -1.58 0.72 3.46 7.41 0.00 -1.26 -5.01 105.19 108.92 3gmp n GLY 43 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3gmp n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gmp s LYS 44 N -0.10 2.16 0.12 1.61 1.02 -0.75 -5.02 119.74 118.79 3gmp s LYS 44 Ca 0.00 -0.92 -0.32 0.00 0.02 0.00 0.00 55.97 54.74 3gmp s LYS 44 Cb 0.00 -2.23 -0.12 0.00 -0.52 0.00 0.00 37.83 34.97 3gmp s LYS 44 CO 0.00 0.56 1.77 1.17 -0.92 0.00 0.00 175.35 177.93 3gmp n LYS 45 N 1.69 2.60 -2.95 1.68 4.81 -1.26 -0.33 118.16 124.39 3gmp n LYS 45 Ca -0.16 0.94 -0.40 0.00 -0.87 0.00 0.00 58.31 57.82 3gmp n LYS 45 Cb 0.52 -2.80 -0.04 0.00 0.02 0.00 0.00 35.03 32.73 3gmp n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3gmp s ILE 46 N 2.23 4.99 0.07 3.15 1.01 0.28 -4.85 121.20 128.07 3gmp s ILE 46 Ca 0.81 1.61 -0.15 0.00 0.00 0.00 0.00 60.65 62.92 3gmp s ILE 46 Cb -0.55 -4.11 -0.20 0.00 0.01 0.00 0.00 42.46 37.61 3gmp s ILE 46 CO 0.38 0.20 1.22 1.55 0.00 0.00 0.00 174.94 178.30 3gmp h PRO 47 N 6.84 0.68 -0.78 2.79 0.13 -1.93 -3.37 132.00 136.36 3gmp h PRO 47 Ca -0.40 -0.64 -0.08 0.00 -0.87 0.00 0.00 66.00 64.01 3gmp h PRO 47 Cb 1.19 0.16 -0.05 0.00 0.13 0.00 0.00 31.00 32.44 3gmp h PRO 47 CO 0.76 1.25 0.10 1.63 -0.23 0.00 0.00 178.00 181.51 3gmp n LYS 48 N -3.98 3.27 -1.66 0.86 4.01 -1.26 -4.98 118.16 114.42 3gmp n LYS 48 Ca -0.09 -2.14 -0.44 0.00 -0.51 0.00 0.00 58.31 55.13 3gmp n LYS 48 Cb 0.78 -1.98 -0.02 0.00 -0.51 0.00 0.00 35.03 33.30 3gmp n LYS 48 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3gmp n VAL 49 N 0.19 1.62 -4.23 -0.18 0.31 -1.26 -4.96 118.33 109.81 3gmp n VAL 49 Ca 0.24 -0.40 -0.33 0.00 -0.01 0.00 0.00 64.34 63.83 3gmp n VAL 49 Cb 0.99 -1.40 -0.08 0.00 -0.91 0.00 0.00 33.84 32.45 3gmp n VAL 49 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3gmp s GLU 50 N -1.28 2.94 0.05 5.55 0.41 -0.45 -4.91 118.70 121.01 3gmp s GLU 50 Ca 0.61 -0.51 0.09 0.00 -0.41 0.00 0.00 54.97 54.74 3gmp s GLU 50 Cb -0.63 -2.77 -0.03 0.00 -1.78 0.00 0.00 34.13 28.92 3gmp s GLU 50 CO 0.57 0.65 -0.25 -1.64 -0.49 0.00 0.00 175.26 174.11 3gmp s MET 51 N -1.47 1.66 0.91 1.61 -1.94 -1.26 -1.03 119.30 117.79 3gmp s MET 51 Ca 0.19 -1.09 -0.12 0.00 -1.71 0.00 0.00 55.69 52.96 3gmp s MET 51 Cb -0.12 -1.85 0.14 0.00 2.01 0.00 0.00 34.83 35.01 3gmp s MET 51 CO 0.10 0.47 1.10 -1.54 -0.01 0.00 0.00 175.02 175.14 3gmp s SER 52 N -1.30 3.39 0.48 3.03 1.04 0.37 -5.00 113.70 115.71 3gmp s SER 52 Ca 0.11 1.31 -0.23 0.00 0.48 0.00 0.00 55.95 57.62 3gmp s SER 52 Cb -0.10 -1.98 -0.07 0.00 0.10 0.00 0.00 66.02 63.98 3gmp s SER 52 CO 0.02 -2.67 1.22 -1.81 0.98 0.00 0.00 173.24 170.98 3gmp s ASP 53 N -3.58 5.95 0.46 7.02 1.01 -1.26 -4.71 116.67 121.56 3gmp s ASP 53 Ca 0.64 2.44 -0.24 0.00 0.71 0.00 0.00 52.55 56.09 3gmp s ASP 53 Cb -0.17 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.07 3gmp s ASP 53 CO 0.56 -1.08 1.29 -0.32 0.21 0.00 0.00 175.17 175.83 3gmp s MET 54 N -2.73 3.65 0.32 8.23 1.75 -1.26 -4.78 119.30 124.49 3gmp s MET 54 Ca 0.65 2.09 0.00 0.00 -1.25 0.00 0.00 55.69 57.19 3gmp s MET 54 Cb -0.32 -2.51 -0.00 0.00 2.84 0.00 0.00 34.83 34.84 3gmp s MET 54 CO 0.39 -0.73 0.41 0.45 -0.65 0.00 0.00 175.02 174.89 3gmp n SER 55 N -0.39 -1.12 -3.96 1.11 2.88 -0.95 -5.02 113.62 106.16 3gmp n SER 55 Ca 0.07 -2.83 -0.08 0.00 -1.33 0.00 0.00 58.87 54.70 3gmp n SER 55 Cb 0.45 2.17 -0.09 0.00 -0.75 0.00 0.00 64.21 66.00 3gmp n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3gmp s PHE 56 N -3.10 0.28 0.67 0.66 -0.12 -1.26 -1.24 117.98 113.87 3gmp s PHE 56 Ca 0.29 -0.70 0.02 0.00 -0.05 0.00 0.00 56.93 56.50 3gmp s PHE 56 Cb -0.00 -0.19 0.11 0.00 -0.63 0.00 0.00 43.02 42.30 3gmp s PHE 56 CO 0.21 -0.42 0.92 -1.12 -0.05 0.00 0.00 175.22 174.76 3gmp s SER 57 N -2.56 4.62 0.41 1.98 0.01 -0.38 -4.93 113.70 112.84 3gmp s SER 57 Ca 0.01 -0.43 0.16 0.00 1.31 0.00 0.00 55.95 57.00 3gmp s SER 57 Cb 0.03 -0.05 1.03 0.00 0.21 0.00 0.00 66.02 67.25 3gmp s SER 57 CO -0.08 -1.66 1.86 0.50 0.41 0.00 0.00 173.24 174.27 3gmp h LYS 58 N -0.30 0.44 -0.05 12.44 3.64 -2.02 0.13 116.57 130.85 3gmp h LYS 58 Ca -0.36 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3gmp h LYS 58 Cb 1.27 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3gmp h LYS 58 CO 0.42 0.29 0.00 -0.40 -2.27 0.00 0.00 179.45 177.49 3gmp n ASP 59 N -4.52 0.29 0.00 4.20 5.68 -1.26 -4.89 116.55 116.04 3gmp n ASP 59 Ca 0.18 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 3gmp n ASP 59 Cb 0.64 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 3gmp n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3gmp n TRP 60 N -0.40 0.00 -2.37 2.11 7.02 0.47 -5.03 117.44 119.24 3gmp n TRP 60 Ca 0.05 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.19 3gmp n TRP 60 Cb 0.06 -0.15 -0.02 0.00 -2.42 0.00 0.00 31.31 28.78 3gmp n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3gmp s SER 61 N -3.59 6.14 0.46 -0.99 1.04 -1.26 -4.67 113.70 110.84 3gmp s SER 61 Ca 0.00 1.89 -0.06 0.00 0.48 0.00 0.00 55.95 58.26 3gmp s SER 61 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 3gmp s SER 61 CO 0.00 -0.92 0.78 -0.36 0.98 0.00 0.00 173.24 173.72 3gmp s PHE 62 N -2.14 3.54 0.03 5.02 0.40 -0.71 -1.25 117.98 122.88 3gmp s PHE 62 Ca 0.66 0.86 -0.09 0.00 -0.60 0.00 0.00 56.93 57.76 3gmp s PHE 62 Cb -0.16 -2.33 0.00 0.00 0.51 0.00 0.00 43.02 41.04 3gmp s PHE 62 CO 0.26 -0.23 0.17 1.52 0.70 0.00 0.00 175.22 177.64 3gmp s TYR 63 N -2.65 0.08 -0.04 0.36 -0.85 -0.37 -1.60 117.35 112.28 3gmp s TYR 63 Ca 0.48 -0.29 -0.19 0.00 -0.52 0.00 0.00 57.07 56.55 3gmp s TYR 63 Cb -0.10 -0.05 0.04 0.00 0.38 0.00 0.00 41.96 42.23 3gmp s TYR 63 CO 0.42 -0.40 0.43 -1.50 -1.52 0.00 0.00 175.55 172.97 3gmp s ILE 64 N -2.41 0.04 -0.16 -3.49 2.07 -0.34 -2.24 121.20 114.67 3gmp s ILE 64 Ca -0.06 -0.30 -0.00 0.00 -1.41 0.00 0.00 60.65 58.87 3gmp s ILE 64 Cb -0.02 -0.73 -0.00 0.00 0.13 0.00 0.00 42.46 41.84 3gmp s ILE 64 CO -0.03 -0.17 -0.14 -0.22 -1.91 0.00 0.00 174.94 172.47 3gmp s LEU 65 N -1.16 2.55 0.08 8.50 2.96 -1.26 -0.81 118.68 129.54 3gmp s LEU 65 Ca -0.12 -0.44 0.04 0.00 -0.22 0.00 0.00 54.13 53.39 3gmp s LEU 65 Cb -0.04 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 3gmp s LEU 65 CO 0.06 0.09 0.05 0.00 -1.32 0.00 0.00 176.35 175.22 3gmp s ALA 66 N 0.82 3.47 0.04 5.97 0.00 0.02 -0.48 121.76 131.60 3gmp s ALA 66 Ca -0.05 -1.05 -0.20 0.00 0.00 0.00 0.00 51.96 50.66 3gmp s ALA 66 Cb -0.15 -1.35 0.04 0.00 0.00 0.00 0.00 23.12 21.66 3gmp s ALA 66 CO 0.00 0.73 0.47 -3.38 0.00 0.00 0.00 175.76 173.58 3gmp s HIS 67 N -1.37 -0.35 -0.03 0.00 -3.43 -0.20 -1.01 115.29 108.91 3gmp s HIS 67 Ca 0.28 0.37 -0.15 0.00 -0.80 0.00 0.00 55.06 54.77 3gmp s HIS 67 Cb -0.12 0.28 0.03 0.00 -1.43 0.00 0.00 32.58 31.33 3gmp s HIS 67 CO 0.21 -0.60 0.32 -0.08 -2.00 0.00 0.00 174.74 172.59 3gmp s THR 68 N -2.36 0.05 0.45 -5.38 -1.32 -0.30 -1.34 115.64 105.45 3gmp s THR 68 Ca -0.06 -0.40 -0.24 0.00 -1.21 0.00 0.00 61.69 59.78 3gmp s THR 68 Cb -0.01 -0.60 -0.07 0.00 -1.51 0.00 0.00 72.50 70.30 3gmp s THR 68 CO -0.01 -0.22 1.27 -1.61 -2.21 0.00 0.00 174.62 171.84 3gmp s GLU 69 N -1.10 3.72 0.15 7.08 2.02 -1.26 -0.72 118.70 128.58 3gmp s GLU 69 Ca -0.12 2.05 -0.16 0.00 0.02 0.00 0.00 54.97 56.77 3gmp s GLU 69 Cb -0.05 -2.54 0.03 0.00 0.10 0.00 0.00 34.13 31.68 3gmp s GLU 69 CO 0.04 -0.67 0.43 -0.59 0.02 0.00 0.00 175.26 174.49 3gmp s PHE 70 N -1.36 -0.12 -0.25 1.61 -0.71 -0.37 -4.81 117.98 111.98 3gmp s PHE 70 Ca 0.62 -0.21 -0.00 0.00 -1.04 0.00 0.00 56.93 56.30 3gmp s PHE 70 Cb -0.36 0.27 0.07 0.00 -1.21 0.00 0.00 43.02 41.80 3gmp s PHE 70 CO 0.44 -0.77 0.02 0.99 -1.34 0.00 0.00 175.22 174.56 3gmp s THR 71 N -3.84 1.11 0.55 -4.49 2.01 -1.26 -0.01 115.64 109.71 3gmp s THR 71 Ca 0.06 -1.15 -0.19 0.00 0.31 0.00 0.00 61.69 60.72 3gmp s THR 71 Cb 0.01 -1.60 -0.06 0.00 0.01 0.00 0.00 72.50 70.87 3gmp s THR 71 CO -0.08 -0.32 1.12 -2.84 -0.69 0.00 0.00 174.62 171.81 3gmp s PRO 72 N 1.56 3.36 0.26 4.92 0.01 -1.26 -4.78 135.00 139.07 3gmp s PRO 72 Ca 0.01 1.57 -0.13 0.00 0.01 0.00 0.00 61.00 62.46 3gmp s PRO 72 Cb -0.18 -2.01 -0.00 0.00 0.01 0.00 0.00 34.50 32.32 3gmp s PRO 72 CO -0.12 -0.83 0.51 0.95 0.01 0.00 0.00 177.00 177.52 3gmp s THR 73 N -1.83 0.00 -0.45 0.99 -4.23 -1.26 -0.37 115.64 108.49 3gmp s THR 73 Ca 0.72 -1.37 0.05 0.00 -1.18 0.00 0.00 61.69 59.91 3gmp s THR 73 Cb -0.23 -2.23 0.40 0.00 1.34 0.00 0.00 72.50 71.79 3gmp s THR 73 CO 0.27 0.00 1.30 -0.62 -0.54 0.00 0.00 174.62 175.03 3gmp n GLU 74 N -0.40 2.48 0.00 3.99 -0.58 -1.26 -2.76 120.64 122.10 3gmp n GLU 74 Ca -0.02 -1.64 0.00 0.00 -0.42 0.00 0.00 57.16 55.08 3gmp n GLU 74 Cb 0.62 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 3gmp n GLU 74 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3gmp n THR 75 N 0.03 0.66 -4.65 2.62 -2.24 -1.26 -5.06 114.28 104.39 3gmp n THR 75 Ca 0.22 -0.71 -0.22 0.00 -2.27 0.00 0.00 64.05 61.06 3gmp n THR 75 Cb 0.91 0.70 -0.15 0.00 -2.10 0.00 0.00 70.33 69.69 3gmp n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3gmp s ASP 76 N -0.66 1.66 0.23 3.42 1.01 -1.11 -5.03 116.67 116.19 3gmp s ASP 76 Ca 0.00 -0.26 0.08 0.00 0.71 0.00 0.00 52.55 53.09 3gmp s ASP 76 Cb 0.00 -0.20 -0.04 0.00 1.01 0.00 0.00 42.92 43.69 3gmp s ASP 76 CO 0.00 0.17 0.05 0.42 0.21 0.00 0.00 175.17 176.02 3gmp s THR 77 N -0.30 3.80 0.01 -1.27 -4.23 -1.26 -4.65 115.64 107.73 3gmp s THR 77 Ca 0.05 -1.62 0.01 0.00 -1.18 0.00 0.00 61.69 58.94 3gmp s THR 77 Cb -0.06 -3.00 -0.01 0.00 1.34 0.00 0.00 72.50 70.77 3gmp s THR 77 CO -0.00 -0.28 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.45 3gmp s TYR 78 N -2.09 0.29 0.24 3.99 1.51 -1.26 -0.94 117.35 119.09 3gmp s TYR 78 Ca 0.31 -0.21 -0.11 0.00 -1.01 0.00 0.00 57.07 56.04 3gmp s TYR 78 Cb -0.08 -0.19 -0.01 0.00 -0.11 0.00 0.00 41.96 41.58 3gmp s TYR 78 CO 0.21 -0.05 0.43 0.00 -1.11 0.00 0.00 175.55 175.03 3gmp s ALA 79 N -0.54 -0.09 -0.07 3.71 0.00 -0.56 -0.60 121.76 123.61 3gmp s ALA 79 Ca -0.04 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 50.97 3gmp s ALA 79 Cb -0.04 1.09 0.02 0.00 0.00 0.00 0.00 23.12 24.19 3gmp s ALA 79 CO -0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 175.76 174.86 3gmp s ARG 81 N 1.07 2.81 -0.05 0.00 3.52 0.14 -0.38 118.95 126.07 3gmp s ARG 81 Ca -0.08 -0.84 0.03 0.00 -0.13 0.00 0.00 55.73 54.71 3gmp s ARG 81 Cb -0.14 -2.29 0.01 0.00 -1.56 0.00 0.00 34.95 30.96 3gmp s ARG 81 CO -0.01 0.32 -0.14 0.08 -0.81 0.00 0.00 175.30 174.75 3gmp s VAL 82 N -0.00 1.22 -0.14 7.11 1.01 0.20 -1.12 120.40 128.68 3gmp s VAL 82 Ca -0.07 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 3gmp s VAL 82 Cb -0.15 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 3gmp s VAL 82 CO 0.05 0.37 -0.07 -0.54 0.00 0.00 0.00 175.10 174.91 3gmp s LYS 83 N 0.37 3.52 0.03 2.72 1.02 -0.24 -0.96 119.74 126.20 3gmp s LYS 83 Ca -0.09 -0.58 -0.16 0.00 0.02 0.00 0.00 55.97 55.15 3gmp s LYS 83 Cb -0.13 -2.79 0.03 0.00 -0.52 0.00 0.00 37.83 34.41 3gmp s LYS 83 CO 0.03 0.26 0.36 -1.58 -0.92 0.00 0.00 175.35 173.50 3gmp s HIS 84 N 0.29 -0.20 0.52 3.18 2.46 -1.26 -1.51 115.29 118.76 3gmp s HIS 84 Ca -0.06 0.18 0.38 0.00 0.47 0.00 0.00 55.06 56.03 3gmp s HIS 84 Cb -0.15 0.15 1.99 0.00 -0.13 0.00 0.00 32.58 34.45 3gmp s HIS 84 CO 0.04 -0.51 2.24 0.00 -2.47 0.00 0.00 174.74 174.04 3gmp h ALA 85 N 3.28 1.13 0.00 1.58 0.00 -1.94 -1.94 119.26 121.37 3gmp h ALA 85 Ca -0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3gmp h ALA 85 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3gmp h ALA 85 CO 0.43 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.58 3gmp n SER 86 N -3.30 0.10 -4.11 0.00 3.41 -1.26 -4.76 113.62 103.70 3gmp n SER 86 Ca -0.02 0.53 -0.22 0.00 -0.26 0.00 0.00 58.87 58.89 3gmp n SER 86 Cb 0.14 -0.55 -0.15 0.00 -0.26 0.00 0.00 64.21 63.40 3gmp n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3gmp s MET 87 N -3.05 1.11 0.26 4.33 1.00 -0.73 -4.90 119.30 117.32 3gmp s MET 87 Ca 0.07 -0.54 0.14 0.00 0.00 0.00 0.00 55.69 55.35 3gmp s MET 87 Cb 0.10 -1.09 0.12 0.00 0.00 0.00 0.00 34.83 33.96 3gmp s MET 87 CO 0.29 0.29 1.46 0.00 0.00 0.00 0.00 175.02 177.06 3gmp h ALA 88 N 5.66 0.66 -2.93 3.03 0.00 -1.85 -3.44 119.26 120.39 3gmp h ALA 88 Ca -0.35 -0.55 -0.44 0.00 0.00 0.00 0.00 54.91 53.57 3gmp h ALA 88 Cb 1.16 -0.10 -0.18 0.00 0.00 0.00 0.00 17.79 18.67 3gmp h ALA 88 CO 0.48 0.76 -0.77 -1.21 0.00 0.00 0.00 179.25 178.51 3gmp s GLU 89 N -3.04 1.08 0.64 0.00 0.41 -1.26 -5.11 118.70 111.41 3gmp s GLU 89 Ca 0.02 -1.27 -0.18 0.00 -0.41 0.00 0.00 54.97 53.13 3gmp s GLU 89 Cb 0.09 -1.01 -0.01 0.00 -1.78 0.00 0.00 34.13 31.42 3gmp s GLU 89 CO 0.75 0.20 1.30 -2.14 -0.49 0.00 0.00 175.26 174.88 3gmp s PRO 90 N -2.66 2.61 -0.14 0.39 0.02 -1.26 -4.87 135.00 129.08 3gmp s PRO 90 Ca 0.10 2.07 -0.04 0.00 0.02 0.00 0.00 61.00 63.15 3gmp s PRO 90 Cb -0.05 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.56 3gmp s PRO 90 CO 0.04 -1.55 -0.01 0.21 -0.33 0.00 0.00 177.00 175.35 3gmp s LYS 91 N -3.34 3.58 -0.07 5.54 2.20 -0.14 -4.91 119.74 122.61 3gmp s LYS 91 Ca 0.82 -0.46 0.05 0.00 -0.36 0.00 0.00 55.97 56.02 3gmp s LYS 91 Cb -0.38 -2.95 -0.01 0.00 -1.51 0.00 0.00 37.83 32.99 3gmp s LYS 91 CO 0.40 0.35 -0.23 0.99 -0.36 0.00 0.00 175.35 176.50 3gmp s THR 92 N 0.08 2.21 -0.16 3.43 2.01 -1.26 -0.63 115.64 121.32 3gmp s THR 92 Ca 0.01 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 61.02 3gmp s THR 92 Cb -0.13 -1.82 0.02 0.00 0.01 0.00 0.00 72.50 70.58 3gmp s THR 92 CO 0.02 0.57 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.65 3gmp s VAL 93 N -0.12 1.89 0.25 3.82 1.01 0.49 -4.97 120.40 122.78 3gmp s VAL 93 Ca -0.05 -0.84 -0.28 0.00 0.00 0.00 0.00 61.98 60.82 3gmp s VAL 93 Cb -0.14 -1.72 -0.09 0.00 0.00 0.00 0.00 36.38 34.43 3gmp s VAL 93 CO 0.04 0.51 0.90 -0.31 0.00 0.00 0.00 175.10 176.25 3gmp s TYR 94 N 1.29 3.88 0.26 5.22 1.51 -1.26 -0.99 117.35 127.25 3gmp s TYR 94 Ca 0.03 1.81 -0.31 0.00 -1.01 0.00 0.00 57.07 57.59 3gmp s TYR 94 Cb -0.13 -2.91 -0.12 0.00 -0.11 0.00 0.00 41.96 38.69 3gmp s TYR 94 CO -0.11 0.39 1.65 1.87 -1.11 0.00 0.00 175.55 178.24 3gmp n TRP 95 N 1.21 2.83 1.62 2.71 -0.00 0.23 -4.88 117.44 121.15 3gmp n TRP 95 Ca -0.02 0.17 0.04 0.00 -0.00 0.00 0.00 57.50 57.70 3gmp n TRP 95 Cb 0.48 -2.63 0.18 0.00 -0.00 0.00 0.00 31.31 29.34 3gmp n TRP 95 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 3gmp n ASP 96 N 2.83 0.68 0.00 5.87 5.75 -1.26 -4.79 116.55 125.63 3gmp n ASP 96 Ca 0.11 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 3gmp n ASP 96 Cb 0.36 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 3gmp n ASP 96 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3gmp n ARG 97 N -0.19 -0.62 0.00 0.11 1.74 -1.26 -4.77 116.66 111.67 3gmp n ARG 97 Ca 0.07 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 3gmp n ARG 97 Cb 0.13 -3.78 0.00 0.00 -1.02 0.00 0.00 32.46 27.78 3gmp n ARG 97 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3gmp n ASP 98 N -0.31 3.14 0.00 0.55 8.00 -1.26 -4.95 116.55 121.72 3gmp n ASP 98 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 3gmp n ASP 98 Cb 0.15 0.00 0.51 0.00 -0.02 0.00 0.00 41.12 41.77 3gmp n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04