#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gm2 s PRO 2 N 0.00 3.19 -1.38 3.17 0.05 -1.26 -4.94 135.00 133.83 2gm2 s PRO 2 Ca 0.00 -0.50 -0.13 0.00 0.05 0.00 0.00 61.00 60.42 2gm2 s PRO 2 Cb 0.00 -4.17 0.08 0.00 0.05 0.00 0.00 34.50 30.46 2gm2 s PRO 2 CO 0.00 -1.87 2.03 -0.11 0.05 0.00 0.00 177.00 177.10 2gm2 n LEU 3 N 8.26 6.48 -0.09 -3.56 7.94 -1.26 -4.60 117.00 130.17 2gm2 n LEU 3 Ca -0.00 -4.27 -0.12 0.00 -1.11 0.00 0.00 56.01 50.51 2gm2 n LEU 3 Cb 0.47 -1.62 -0.05 0.00 0.53 0.00 0.00 43.42 42.75 2gm2 n LEU 3 CO 0.67 1.04 -0.70 -3.20 -1.11 0.00 0.00 177.39 174.09 2gm2 n ASN 4 N 5.77 1.90 -4.53 1.96 5.15 -1.26 -4.89 115.26 119.35 2gm2 n ASN 4 Ca 0.48 0.43 -0.41 0.00 -0.60 0.00 0.00 54.58 54.47 2gm2 n ASN 4 Cb 0.39 -0.81 -0.09 0.00 -0.53 0.00 0.00 39.78 38.74 2gm2 n ASN 4 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2gm2 s GLN 5 N -2.61 3.48 0.41 1.20 -0.21 -1.26 -5.06 119.66 115.61 2gm2 s GLN 5 Ca -0.27 -0.45 -0.23 0.00 0.02 0.00 0.00 55.36 54.44 2gm2 s GLN 5 Cb 0.05 -3.84 -0.10 0.00 1.00 0.00 0.00 33.01 30.13 2gm2 s GLN 5 CO 0.40 -0.61 0.99 -2.00 -2.12 0.00 0.00 175.29 171.95 2gm2 s GLU 6 N 2.10 4.21 -0.29 2.91 2.56 -1.26 -4.38 118.70 124.55 2gm2 s GLU 6 Ca 0.13 1.30 -0.03 0.00 0.00 0.00 0.00 54.97 56.37 2gm2 s GLU 6 Cb -0.16 -2.37 0.00 0.00 2.00 0.00 0.00 34.13 33.59 2gm2 s GLU 6 CO 0.12 -0.06 0.10 1.58 -0.56 0.00 0.00 175.26 176.43 2gm2 n HIS 7 N -0.32 -3.49 -0.63 5.30 -0.00 -1.26 -5.04 115.22 109.77 2gm2 n HIS 7 Ca 0.06 1.52 0.00 0.00 0.46 0.00 0.00 57.72 59.76 2gm2 n HIS 7 Cb 0.52 -3.76 0.00 0.00 -0.12 0.00 0.00 29.99 26.63 2gm2 n HIS 7 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2gm2 n PRO 8 N 0.46 -0.02 -2.74 1.57 -0.04 -1.26 -5.08 135.00 127.88 2gm2 n PRO 8 Ca 0.02 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.26 2gm2 n PRO 8 Cb 0.07 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.56 2gm2 n PRO 8 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2gm2 s ASP 9 N -1.17 5.50 0.57 3.54 2.15 -1.26 -4.98 116.67 121.02 2gm2 s ASP 9 Ca 0.00 0.18 0.33 0.00 0.43 0.00 0.00 52.55 53.49 2gm2 s ASP 9 Cb 0.00 -1.20 1.71 0.00 -0.30 0.00 0.00 42.92 43.13 2gm2 s ASP 9 CO 0.00 -0.98 2.15 0.22 -0.17 0.00 0.00 175.17 176.39 2gm2 h TYR 10 N 0.16 0.00 0.00 -5.34 3.20 -2.03 -3.46 116.97 109.50 2gm2 h TYR 10 Ca -0.44 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2gm2 h TYR 10 Cb 1.28 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.55 2gm2 h TYR 10 CO 0.41 0.06 0.00 0.25 -1.64 0.00 0.00 178.16 177.24 2gm2 n THR 11 N -3.41 0.00 -2.54 1.81 -2.24 -1.26 -4.78 114.28 101.86 2gm2 n THR 11 Ca -0.02 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.34 2gm2 n THR 11 Cb 0.20 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.42 2gm2 n THR 11 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2gm2 n TYR 12 N 0.00 4.58 -3.68 4.78 4.01 -1.26 -4.82 117.16 120.77 2gm2 n TYR 12 Ca 0.00 -2.80 -0.10 0.00 -0.16 0.00 0.00 57.90 54.84 2gm2 n TYR 12 Cb 0.00 -2.64 -0.11 0.00 -0.31 0.00 0.00 39.34 36.29 2gm2 n TYR 12 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2gm2 s ALA 13 N 4.43 -1.05 -0.64 -0.72 0.00 -1.26 -5.07 121.76 117.45 2gm2 s ALA 13 Ca 0.54 1.48 -0.23 0.00 0.00 0.00 0.00 51.96 53.75 2gm2 s ALA 13 Cb 0.04 -1.07 0.06 0.00 0.00 0.00 0.00 23.12 22.15 2gm2 s ALA 13 CO 0.08 -0.47 0.98 -1.17 0.00 0.00 0.00 175.76 175.18 2gm2 s LEU 14 N 1.90 4.21 0.12 0.00 2.96 -1.26 -3.91 118.68 122.69 2gm2 s LEU 14 Ca -0.06 -0.78 0.01 0.00 -0.22 0.00 0.00 54.13 53.08 2gm2 s LEU 14 Cb -0.10 -2.54 -0.17 0.00 0.50 0.00 0.00 46.19 43.88 2gm2 s LEU 14 CO -0.12 -1.41 1.26 -0.09 -1.32 0.00 0.00 176.35 174.66 2gm2 h ARG 15 N 9.53 0.17 -2.82 1.98 2.43 -1.52 -3.47 114.38 120.68 2gm2 h ARG 15 Ca -0.28 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 58.61 2gm2 h ARG 15 Cb 1.07 0.09 -0.13 0.00 -0.42 0.00 0.00 29.97 30.57 2gm2 h ARG 15 CO 1.16 1.07 0.19 0.00 -1.51 0.00 0.00 179.97 180.89 2gm2 s ALA 16 N -2.85 -1.61 -0.29 2.80 0.00 -0.96 -5.01 121.76 113.85 2gm2 s ALA 16 Ca -0.02 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.56 2gm2 s ALA 16 Cb 0.09 0.71 0.18 0.00 0.00 0.00 0.00 23.12 24.10 2gm2 s ALA 16 CO 0.85 -0.69 0.57 0.00 0.00 0.00 0.00 175.76 176.49 2gm2 s ALA 17 N -3.26 -2.10 -2.54 0.00 0.00 -1.26 0.12 121.76 112.73 2gm2 s ALA 17 Ca -0.01 1.63 0.26 0.00 0.00 0.00 0.00 51.96 53.85 2gm2 s ALA 17 Cb -0.01 -2.13 0.71 0.00 0.00 0.00 0.00 23.12 21.69 2gm2 s ALA 17 CO -0.09 -1.37 1.55 -0.40 0.00 0.00 0.00 175.76 175.45 2gm2 n ASP 18 N 5.42 1.92 0.00 0.00 5.68 -0.56 -4.70 116.55 124.31 2gm2 n ASP 18 Ca -0.01 -1.58 0.00 0.00 -0.50 0.00 0.00 54.79 52.70 2gm2 n ASP 18 Cb 0.51 0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 2gm2 n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2gm2 n GLY 19 N 1.26 3.07 0.01 6.12 0.00 -1.26 -4.72 105.19 109.68 2gm2 n GLY 19 Ca 0.16 -0.93 0.05 0.00 0.00 0.00 0.00 46.02 45.31 2gm2 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gm2 n ARG 20 N 0.00 0.60 -4.51 1.61 1.74 -1.26 -2.52 116.66 112.32 2gm2 n ARG 20 Ca 0.00 -0.11 -0.21 0.00 -0.77 0.00 0.00 57.85 56.75 2gm2 n ARG 20 Cb 0.00 -1.33 -0.14 0.00 -1.02 0.00 0.00 32.46 29.96 2gm2 n ARG 20 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2gm2 s HIS 21 N -2.90 1.29 -0.17 -1.55 3.76 -1.26 -3.44 115.29 111.02 2gm2 s HIS 21 Ca -0.05 -0.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.56 2gm2 s HIS 21 Cb 0.08 -0.80 0.01 0.00 1.11 0.00 0.00 32.58 32.99 2gm2 s HIS 21 CO 0.58 0.02 -0.17 0.00 -0.85 0.00 0.00 174.74 174.31 2gm2 s ALA 22 N -0.62 2.42 -0.61 -1.40 0.00 -0.86 -1.50 121.76 119.19 2gm2 s ALA 22 Ca 0.04 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 50.68 2gm2 s ALA 22 Cb -0.07 -1.23 0.14 0.00 0.00 0.00 0.00 23.12 21.96 2gm2 s ALA 22 CO 0.01 -0.24 0.60 0.21 0.00 0.00 0.00 175.76 176.34 2gm2 s LYS 23 N 1.13 3.12 -0.55 0.00 2.47 0.12 -0.44 119.74 125.59 2gm2 s LYS 23 Ca 0.01 -1.75 -0.17 0.00 -1.56 0.00 0.00 55.97 52.49 2gm2 s LYS 23 Cb -0.14 -4.33 0.10 0.00 -1.46 0.00 0.00 37.83 32.00 2gm2 s LYS 23 CO -0.07 -1.38 0.57 0.08 0.16 0.00 0.00 175.35 174.72 2gm2 s VAL 24 N 1.62 5.03 0.00 4.02 1.01 -0.12 -1.20 120.40 130.76 2gm2 s VAL 24 Ca 0.08 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.93 2gm2 s VAL 24 Cb -0.25 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 31.77 2gm2 s VAL 24 CO 0.01 -0.91 0.00 0.59 0.00 0.00 0.00 175.10 174.79 2gm2 n ASN 25 N 5.75 0.00 -0.13 3.32 3.02 -1.25 -0.48 115.26 125.49 2gm2 n ASN 25 Ca -0.11 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.45 2gm2 n ASN 25 Cb 0.42 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.61 2gm2 n ASN 25 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2gm2 n GLU 26 N 0.00 0.15 -3.26 3.52 4.71 -1.26 -4.94 120.64 119.57 2gm2 n GLU 26 Ca 0.00 -0.88 -0.41 0.00 -0.01 0.00 0.00 57.16 55.86 2gm2 n GLU 26 Cb 0.00 -1.06 -0.08 0.00 -1.01 0.00 0.00 31.44 29.29 2gm2 n GLU 26 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 2gm2 s GLN 27 N -0.40 3.76 -0.58 3.49 1.11 0.37 -5.02 119.66 122.38 2gm2 s GLN 27 Ca 0.04 -0.04 -0.22 0.00 0.01 0.00 0.00 55.36 55.16 2gm2 s GLN 27 Cb 0.03 -3.76 0.06 0.00 -1.01 0.00 0.00 33.01 28.33 2gm2 s GLN 27 CO 0.04 -0.54 0.83 0.42 0.01 0.00 0.00 175.29 176.04 2gm2 s ILE 28 N 2.34 4.56 -0.46 1.08 1.01 -1.26 -0.95 121.20 127.53 2gm2 s ILE 28 Ca 0.19 -0.31 -0.25 0.00 0.00 0.00 0.00 60.65 60.28 2gm2 s ILE 28 Cb -0.16 -4.51 0.03 0.00 0.01 0.00 0.00 42.46 37.83 2gm2 s ILE 28 CO 0.12 -1.14 0.89 -0.76 0.00 0.00 0.00 174.94 174.05 2gm2 s LEU 29 N 3.44 4.09 0.00 2.97 1.43 0.42 -4.86 118.68 126.17 2gm2 s LEU 29 Ca 0.21 0.02 0.23 0.00 -1.03 0.00 0.00 54.13 53.56 2gm2 s LEU 29 Cb -0.17 -3.11 0.35 0.00 0.03 0.00 0.00 46.19 43.29 2gm2 s LEU 29 CO 0.13 -1.02 1.35 0.00 0.23 0.00 0.00 176.35 177.03 2gm2 n GLN 30 N 7.06 2.42 0.00 1.70 6.02 -1.26 -2.03 117.38 131.28 2gm2 n GLN 30 Ca 0.05 -2.17 0.00 0.00 -0.01 0.00 0.00 57.00 54.87 2gm2 n GLN 30 Cb 0.48 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.25 2gm2 n GLN 30 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2gm2 n GLN 31 N 1.43 0.00 -4.89 -1.09 6.02 -1.22 -3.93 117.38 113.70 2gm2 n GLN 31 Ca 0.17 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.84 2gm2 n GLN 31 Cb 0.60 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.72 2gm2 n GLN 31 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2gm2 s SER 32 N 1.11 3.88 -0.16 1.08 0.01 -1.26 0.04 113.70 118.40 2gm2 s SER 32 Ca 0.00 -0.30 -0.30 0.00 1.31 0.00 0.00 55.95 56.66 2gm2 s SER 32 Cb 0.00 -1.21 0.13 0.00 0.21 0.00 0.00 66.02 65.15 2gm2 s SER 32 CO 0.00 0.25 1.05 0.72 0.41 0.00 0.00 173.24 175.66 2gm2 s PHE 33 N -0.14 -0.31 -0.09 2.43 -0.71 -1.03 -4.81 117.98 113.32 2gm2 s PHE 33 Ca -0.01 0.49 0.04 0.00 -1.04 0.00 0.00 56.93 56.40 2gm2 s PHE 33 Cb -0.14 0.47 0.00 0.00 -1.21 0.00 0.00 43.02 42.14 2gm2 s PHE 33 CO 0.04 -0.31 -0.21 0.42 -1.34 0.00 0.00 175.22 173.81 2gm2 s ILE 34 N -1.34 1.85 -0.20 -4.49 1.01 -1.06 -1.29 121.20 115.68 2gm2 s ILE 34 Ca 0.01 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 59.73 2gm2 s ILE 34 Cb -0.01 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 2gm2 s ILE 34 CO -0.01 0.51 -0.04 -0.22 0.00 0.00 0.00 174.94 175.18 2gm2 s LEU 35 N 0.42 3.01 0.27 2.97 2.96 -0.16 -0.77 118.68 127.38 2gm2 s LEU 35 Ca -0.18 -0.30 0.07 0.00 -0.22 0.00 0.00 54.13 53.50 2gm2 s LEU 35 Cb -0.17 -1.75 -0.06 0.00 0.50 0.00 0.00 46.19 44.71 2gm2 s LEU 35 CO 0.08 0.05 -0.08 -0.04 -1.32 0.00 0.00 176.35 175.03 2gm2 s MET 36 N 1.07 1.54 -0.60 1.98 -1.94 0.99 -0.14 119.30 122.20 2gm2 s MET 36 Ca 0.01 -1.76 -0.30 0.00 -1.71 0.00 0.00 55.69 51.93 2gm2 s MET 36 Cb -0.15 -1.23 -0.12 0.00 2.01 0.00 0.00 34.83 35.35 2gm2 s MET 36 CO 0.00 0.09 2.44 -2.30 -0.01 0.00 0.00 175.02 175.24 2gm2 n PRO 37 N -0.57 0.77 -1.56 2.03 -0.02 -1.26 -0.31 135.00 134.09 2gm2 n PRO 37 Ca -0.06 0.08 -0.18 0.00 -2.02 0.00 0.00 63.50 61.32 2gm2 n PRO 37 Cb 0.63 -2.65 -0.07 0.00 -0.02 0.00 0.00 33.50 31.38 2gm2 n PRO 37 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2gm2 n ASP 38 N 12.86 -5.14 -3.77 2.55 8.00 -1.26 -4.96 116.55 124.84 2gm2 n ASP 38 Ca 0.46 0.42 -0.29 0.00 0.71 0.00 0.00 54.79 56.09 2gm2 n ASP 38 Cb 0.32 -4.20 -0.16 0.00 -0.02 0.00 0.00 41.12 37.07 2gm2 n ASP 38 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2gm2 s GLU 39 N -3.57 0.84 -0.32 -1.24 2.56 0.57 -5.10 118.70 112.44 2gm2 s GLU 39 Ca 0.00 -0.83 -0.14 0.00 0.00 0.00 0.00 54.97 53.99 2gm2 s GLU 39 Cb 0.00 -2.13 -0.02 0.00 2.00 0.00 0.00 34.13 33.97 2gm2 s GLU 39 CO 0.00 -0.80 0.32 -1.17 -0.56 0.00 0.00 175.26 173.05 2gm2 s LEU 40 N 1.66 4.30 -0.51 2.70 2.96 -1.26 -0.00 118.68 128.53 2gm2 s LEU 40 Ca 0.03 -0.12 -0.17 0.00 -0.22 0.00 0.00 54.13 53.65 2gm2 s LEU 40 Cb -0.17 -2.30 0.08 0.00 0.50 0.00 0.00 46.19 44.30 2gm2 s LEU 40 CO -0.16 -0.25 0.54 -0.69 -1.32 0.00 0.00 176.35 174.47 2gm2 s VAL 41 N 1.95 5.04 0.06 1.68 1.01 0.05 -5.02 120.40 125.17 2gm2 s VAL 41 Ca 0.11 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2gm2 s VAL 41 Cb -0.16 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2gm2 s VAL 41 CO 0.11 -0.79 0.14 -0.70 0.00 0.00 0.00 175.10 173.86 2gm2 s GLU 42 N 2.16 3.16 -0.09 2.72 -6.30 -1.26 -2.58 118.70 116.51 2gm2 s GLU 42 Ca 0.09 -0.55 -0.01 0.00 -2.50 0.00 0.00 54.97 51.99 2gm2 s GLU 42 Cb -0.23 -2.89 0.00 0.00 0.00 0.00 0.00 34.13 31.01 2gm2 s GLU 42 CO 0.08 0.59 0.05 1.58 0.02 0.00 0.00 175.26 177.58 2gm2 n HIS 43 N 0.44 -1.03 -2.85 5.30 -0.00 -1.26 -5.07 115.22 110.75 2gm2 n HIS 43 Ca -0.07 0.45 -0.02 0.00 0.46 0.00 0.00 57.72 58.53 2gm2 n HIS 43 Cb 0.51 -2.18 0.01 0.00 -0.12 0.00 0.00 29.99 28.21 2gm2 n HIS 43 CO 0.00 0.00 0.00 -0.46 0.46 0.00 0.00 176.34 176.34 2gm2 s TRP 44 N -0.76 -1.39 -0.49 1.57 -0.00 -1.26 -5.11 118.94 111.50 2gm2 s TRP 44 Ca 0.02 -0.29 -0.27 0.00 -0.00 0.00 0.00 56.10 55.57 2gm2 s TRP 44 Cb -0.01 0.27 -0.04 0.00 -0.00 0.00 0.00 33.47 33.69 2gm2 s TRP 44 CO 0.21 -1.05 2.09 -2.14 -0.00 0.00 0.00 176.95 176.05 2gm2 s PRO 45 N 1.16 2.58 -0.41 5.86 0.02 -1.26 -4.69 135.00 138.26 2gm2 s PRO 45 Ca 0.25 1.16 0.04 0.00 0.02 0.00 0.00 61.00 62.47 2gm2 s PRO 45 Cb 0.01 -4.43 0.17 0.00 0.02 0.00 0.00 34.50 30.27 2gm2 s PRO 45 CO -0.07 -2.75 0.37 0.08 -0.33 0.00 0.00 177.00 174.30 2gm2 s VAL 46 N 9.85 0.09 0.34 3.83 1.01 -1.26 -4.97 120.40 129.29 2gm2 s VAL 46 Ca 0.83 -2.16 0.05 0.00 0.00 0.00 0.00 61.98 60.70 2gm2 s VAL 46 Cb -0.18 -1.04 0.14 0.00 0.00 0.00 0.00 36.38 35.30 2gm2 s VAL 46 CO 0.26 -1.00 1.85 1.55 0.00 0.00 0.00 175.10 177.75 2gm2 h PRO 47 N 5.91 0.44 -3.38 2.72 0.13 -1.90 -3.40 132.00 132.52 2gm2 h PRO 47 Ca 0.19 -0.11 -0.08 0.00 -0.87 0.00 0.00 66.00 65.13 2gm2 h PRO 47 Cb 0.95 -0.05 -0.15 0.00 0.13 0.00 0.00 31.00 31.88 2gm2 h PRO 47 CO 0.30 0.54 -0.20 -1.12 -0.23 0.00 0.00 178.00 177.29 2gm2 s SER 48 N -6.79 -0.13 -0.73 1.44 0.01 -1.26 -3.63 113.70 102.61 2gm2 s SER 48 Ca -0.07 -0.28 -0.26 0.00 1.31 0.00 0.00 55.95 56.65 2gm2 s SER 48 Cb 0.15 0.40 -0.01 0.00 0.21 0.00 0.00 66.02 66.76 2gm2 s SER 48 CO 0.76 -0.71 1.77 -0.22 0.41 0.00 0.00 173.24 175.25 2gm2 s LEU 49 N -2.41 3.25 0.00 2.44 2.96 -1.26 -3.46 118.68 120.20 2gm2 s LEU 49 Ca -0.01 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 2gm2 s LEU 49 Cb 0.01 -2.54 0.00 0.00 0.50 0.00 0.00 46.19 44.16 2gm2 s LEU 49 CO -0.07 -2.33 0.00 0.61 -1.32 0.00 0.00 176.35 173.24 2gm2 n GLY 50 N 6.00 0.17 0.79 7.98 0.00 -1.26 -4.91 105.19 113.95 2gm2 n GLY 50 Ca 0.23 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.30 2gm2 n GLY 50 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gm2 n GLN 51 N 0.00 2.03 -2.92 1.61 3.00 -1.22 -4.78 117.38 115.09 2gm2 n GLN 51 Ca 0.00 -1.48 -0.44 0.00 -0.01 0.00 0.00 57.00 55.07 2gm2 n GLN 51 Cb 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 30.24 28.85 2gm2 n GLN 51 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2gm2 s LEU 52 N -1.04 4.81 0.22 1.08 2.96 -1.26 -4.98 118.68 120.47 2gm2 s LEU 52 Ca 0.27 -1.51 0.01 0.00 -0.22 0.00 0.00 54.13 52.69 2gm2 s LEU 52 Cb 0.15 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 2gm2 s LEU 52 CO 0.18 -1.24 0.38 -1.10 -1.32 0.00 0.00 176.35 173.25 2gm2 s GLN 53 N 3.28 3.48 0.53 1.98 -0.21 -1.26 -4.78 119.66 122.68 2gm2 s GLN 53 Ca 0.25 -0.49 0.23 0.00 0.02 0.00 0.00 55.36 55.37 2gm2 s GLN 53 Cb -0.12 -2.85 1.37 0.00 1.00 0.00 0.00 33.01 32.40 2gm2 s GLN 53 CO 0.01 0.40 2.04 -1.35 -2.12 0.00 0.00 175.29 174.26 2gm2 h PRO 54 N 1.67 0.00 0.00 2.91 0.11 -1.95 0.28 132.00 135.02 2gm2 h PRO 54 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2gm2 h PRO 54 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2gm2 h PRO 54 CO 0.66 0.00 -0.11 0.00 -0.21 0.00 0.00 178.00 178.34 2gm2 h ALA 55 N 1.80 1.01 0.00 -0.75 0.00 -1.99 -0.53 119.26 118.80 2gm2 h ALA 55 Ca 0.19 -0.10 -0.36 0.00 0.00 0.00 0.00 54.91 54.64 2gm2 h ALA 55 Cb 0.76 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 2gm2 h ALA 55 CO -0.00 0.14 -2.32 1.58 0.00 0.00 0.00 179.25 178.65 2gm2 n HIS 56 N -3.24 0.10 0.69 0.00 -0.00 0.67 -3.87 115.22 109.58 2gm2 n HIS 56 Ca 0.01 0.04 0.12 0.00 -0.00 0.00 0.00 57.72 57.88 2gm2 n HIS 56 Cb 0.38 -1.02 0.47 0.00 -0.00 0.00 0.00 29.99 29.83 2gm2 n HIS 56 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 2gm2 n MET 57 N -2.78 0.10 -0.13 1.57 0.00 0.51 -3.42 117.12 112.98 2gm2 n MET 57 Ca -0.31 0.18 0.16 0.00 0.00 0.00 0.00 57.70 57.73 2gm2 n MET 57 Cb 1.15 -1.64 0.54 0.00 0.00 0.00 0.00 33.22 33.27 2gm2 n MET 57 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 2gm2 h ASP 58 N 0.00 0.31 -0.64 6.12 3.58 -1.20 -0.97 116.42 123.62 2gm2 h ASP 58 Ca 0.00 0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.49 2gm2 h ASP 58 Cb 0.48 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.44 2gm2 h ASP 58 CO 0.00 0.16 0.40 0.00 -2.88 0.00 0.00 179.24 176.92 2gm2 h ALA 59 N 1.66 0.83 -0.47 -0.78 0.00 -1.80 0.16 119.26 118.87 2gm2 h ALA 59 Ca 0.34 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 2gm2 h ALA 59 Cb 0.88 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2gm2 h ALA 59 CO -0.09 0.15 -0.08 0.28 0.00 0.00 0.00 179.25 179.51 2gm2 h VAL 60 N 0.78 1.26 -0.21 0.00 2.07 -1.44 -2.24 116.25 116.47 2gm2 h VAL 60 Ca 0.26 -1.14 -0.08 0.00 0.82 0.00 0.00 66.70 66.56 2gm2 h VAL 60 Cb 0.02 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2gm2 h VAL 60 CO -0.10 0.40 -0.23 -0.07 0.02 0.00 0.00 177.57 177.58 2gm2 h LEU 61 N 0.75 0.37 -1.10 2.57 3.38 -0.96 -2.48 115.31 117.84 2gm2 h LEU 61 Ca 0.13 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2gm2 h LEU 61 Cb 0.56 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2gm2 h LEU 61 CO 0.03 0.61 -0.38 0.00 0.09 0.00 0.00 178.44 178.79 2gm2 h ALA 62 N 1.43 1.25 0.00 1.53 0.00 -0.15 -1.63 119.26 121.68 2gm2 h ALA 62 Ca 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2gm2 h ALA 62 Cb 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2gm2 h ALA 62 CO 0.04 0.53 0.00 -0.07 0.00 0.00 0.00 179.25 179.75 2gm2 h LEU 63 N 0.11 0.00 -2.32 0.00 3.38 -0.97 -3.48 115.31 112.02 2gm2 h LEU 63 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2gm2 h LEU 63 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2gm2 h LEU 63 CO 0.05 0.00 -0.54 0.59 0.09 0.00 0.00 178.44 178.64 2gm2 n ASN 64 N -2.79 -7.49 -4.73 -0.43 3.02 -0.61 -5.06 115.26 97.17 2gm2 n ASN 64 Ca 0.02 0.64 -0.23 0.00 -0.03 0.00 0.00 54.58 54.98 2gm2 n ASN 64 Cb 0.33 -5.04 0.10 0.00 -0.61 0.00 0.00 39.78 34.57 2gm2 n ASN 64 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2gm2 s PRO 65 N -2.31 1.77 0.00 3.52 0.04 -1.26 -4.98 135.00 131.78 2gm2 s PRO 65 Ca 0.19 -1.20 0.00 0.00 0.04 0.00 0.00 61.00 60.03 2gm2 s PRO 65 Cb -0.05 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.11 2gm2 s PRO 65 CO 0.71 -1.36 0.00 0.00 0.04 0.00 0.00 177.00 176.39 2gm2 n ALA 66 N -2.74 2.65 -3.03 8.56 0.00 0.58 -5.00 120.51 121.53 2gm2 n ALA 66 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.33 2gm2 n ALA 66 Cb 0.61 0.43 -0.16 0.00 0.00 0.00 0.00 19.45 20.33 2gm2 n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2gm2 s VAL 67 N -1.95 1.40 -0.17 0.00 0.11 -0.84 -0.80 120.40 118.15 2gm2 s VAL 67 Ca 0.00 -0.69 0.01 0.00 -2.93 0.00 0.00 61.98 58.37 2gm2 s VAL 67 Cb 0.00 -1.22 0.03 0.00 -1.53 0.00 0.00 36.38 33.66 2gm2 s VAL 67 CO 0.00 0.41 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.43 2gm2 s ILE 68 N 0.17 1.59 -0.44 7.04 1.01 0.13 -0.44 121.20 130.26 2gm2 s ILE 68 Ca -0.07 -0.80 -0.20 0.00 0.00 0.00 0.00 60.65 59.57 2gm2 s ILE 68 Cb -0.13 -1.58 0.03 0.00 0.01 0.00 0.00 42.46 40.79 2gm2 s ILE 68 CO 0.03 0.32 0.64 -0.76 0.00 0.00 0.00 174.94 175.16 2gm2 s LEU 69 N 1.45 4.55 -0.47 2.97 1.43 -0.22 -0.38 118.68 128.00 2gm2 s LEU 69 Ca 0.02 -0.40 -0.18 0.00 -1.03 0.00 0.00 54.13 52.54 2gm2 s LEU 69 Cb -0.14 -2.69 0.05 0.00 0.03 0.00 0.00 46.19 43.43 2gm2 s LEU 69 CO -0.09 -0.79 0.53 -0.22 0.23 0.00 0.00 176.35 176.01 2gm2 s LEU 70 N 2.79 5.04 -0.72 1.79 2.96 0.11 -0.85 118.68 129.80 2gm2 s LEU 70 Ca 0.22 -0.89 -0.19 0.00 -0.22 0.00 0.00 54.13 53.05 2gm2 s LEU 70 Cb -0.15 -2.40 0.12 0.00 0.50 0.00 0.00 46.19 44.27 2gm2 s LEU 70 CO 0.18 -0.75 0.85 -0.83 -1.32 0.00 0.00 176.35 174.49 2gm2 s GLY 71 N 2.38 1.89 -1.47 7.98 0.00 -0.24 -0.68 107.32 117.20 2gm2 s GLY 71 Ca 0.13 -2.48 -0.09 0.00 0.00 0.00 0.00 44.72 42.28 2gm2 s GLY 71 CO 0.12 1.70 2.53 -1.30 0.00 0.00 0.00 173.10 176.15 2gm2 n THR 72 N 5.35 4.45 -1.01 0.90 -2.24 -0.27 -1.83 114.28 119.63 2gm2 n THR 72 Ca 0.03 -3.40 0.00 0.00 -2.27 0.00 0.00 64.05 58.41 2gm2 n THR 72 Cb 0.45 -2.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.26 2gm2 n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gm2 n GLY 73 N 3.02 3.48 1.11 3.38 0.00 -0.31 -1.73 105.19 114.13 2gm2 n GLY 73 Ca 0.64 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.61 2gm2 n GLY 73 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gm2 n GLU 74 N 14.00 2.41 -4.52 1.61 -0.58 -1.26 -1.55 120.64 130.75 2gm2 n GLU 74 Ca 0.00 -2.16 -0.25 0.00 -0.42 0.00 0.00 57.16 54.33 2gm2 n GLU 74 Cb 0.00 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 29.29 2gm2 n GLU 74 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2gm2 s ARG 75 N -1.21 1.77 -0.36 3.49 0.52 -0.71 -4.95 118.95 117.50 2gm2 s ARG 75 Ca 0.40 -1.90 -0.06 0.00 -0.52 0.00 0.00 55.73 53.65 2gm2 s ARG 75 Cb 0.21 -1.64 0.06 0.00 0.52 0.00 0.00 34.95 34.10 2gm2 s ARG 75 CO 0.27 0.15 0.14 -0.65 0.02 0.00 0.00 175.30 175.23 2gm2 s GLN 76 N -3.61 2.54 -0.02 3.54 -0.21 -1.26 -4.11 119.66 116.52 2gm2 s GLN 76 Ca 0.32 -1.32 0.08 0.00 0.02 0.00 0.00 55.36 54.46 2gm2 s GLN 76 Cb 0.02 -3.52 -0.02 0.00 1.00 0.00 0.00 33.01 30.49 2gm2 s GLN 76 CO 0.16 -0.77 -0.26 -1.14 -2.12 0.00 0.00 175.29 171.16 2gm2 s GLN 77 N 1.37 2.11 0.02 2.91 0.74 -1.26 -5.06 119.66 120.48 2gm2 s GLN 77 Ca 0.00 -0.93 -0.23 0.00 0.05 0.00 0.00 55.36 54.25 2gm2 s GLN 77 Cb -0.21 -2.03 -0.05 0.00 1.10 0.00 0.00 33.01 31.82 2gm2 s GLN 77 CO 0.02 0.56 0.70 -0.06 -0.55 0.00 0.00 175.29 175.95 2gm2 s PHE 78 N -0.61 3.70 1.11 1.67 0.08 -1.26 -4.89 117.98 117.78 2gm2 s PHE 78 Ca 0.10 1.35 -0.19 0.00 0.12 0.00 0.00 56.93 58.31 2gm2 s PHE 78 Cb -0.10 -2.74 0.26 0.00 -0.57 0.00 0.00 43.02 39.87 2gm2 s PHE 78 CO -0.01 0.29 1.24 -1.25 -0.10 0.00 0.00 175.22 175.39 2gm2 s PRO 79 N -0.03 -0.55 0.61 0.24 0.04 -1.26 -5.02 135.00 129.03 2gm2 s PRO 79 Ca 0.36 -0.38 -0.18 0.00 0.04 0.00 0.00 61.00 60.84 2gm2 s PRO 79 Cb -0.19 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2gm2 s PRO 79 CO 0.20 -3.21 1.16 0.45 0.04 0.00 0.00 177.00 175.64 2gm2 s SER 80 N -4.52 5.21 0.37 6.66 0.15 -1.26 -4.84 113.70 115.47 2gm2 s SER 80 Ca 0.75 2.23 0.06 0.00 0.70 0.00 0.00 55.95 59.68 2gm2 s SER 80 Cb -0.05 -2.58 0.70 0.00 -1.71 0.00 0.00 66.02 62.39 2gm2 s SER 80 CO 0.55 -1.57 1.94 0.74 1.20 0.00 0.00 173.24 176.10 2gm2 h THR 81 N 0.64 1.16 -0.21 6.45 2.02 -1.98 -0.46 112.91 120.54 2gm2 h THR 81 Ca -0.49 -0.56 -0.07 0.00 0.77 0.00 0.00 66.41 66.05 2gm2 h THR 81 Cb 1.27 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 2gm2 h THR 81 CO 0.55 0.21 -0.19 -2.24 0.37 0.00 0.00 175.52 174.21 2gm2 h ASP 82 N 0.52 0.36 -0.30 4.18 3.04 -1.99 0.13 116.42 122.36 2gm2 h ASP 82 Ca 0.12 -0.10 -0.16 0.00 -3.24 0.00 0.00 57.03 53.65 2gm2 h ASP 82 Cb 0.18 -0.10 -0.00 0.00 -1.04 0.00 0.00 39.33 38.37 2gm2 h ASP 82 CO -0.01 0.57 -0.44 0.58 -2.04 0.00 0.00 179.24 177.90 2gm2 h VAL 83 N 0.33 1.28 -0.15 4.15 2.07 -1.57 -2.83 116.25 119.52 2gm2 h VAL 83 Ca 0.06 -1.62 -0.04 0.00 0.82 0.00 0.00 66.70 65.92 2gm2 h VAL 83 Cb 0.53 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2gm2 h VAL 83 CO 0.04 0.53 -0.10 -0.07 0.02 0.00 0.00 177.57 177.99 2gm2 h LEU 84 N 0.69 0.22 -0.02 2.57 3.38 -0.49 -2.01 115.31 119.66 2gm2 h LEU 84 Ca 0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2gm2 h LEU 84 Cb 1.02 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 2gm2 h LEU 84 CO 0.10 0.35 0.01 0.00 0.09 0.00 0.00 178.44 178.99 2gm2 h ALA 85 N 1.68 0.02 -0.77 1.53 0.00 -0.54 -0.77 119.26 120.41 2gm2 h ALA 85 Ca 0.05 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2gm2 h ALA 85 Cb 0.32 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2gm2 h ALA 85 CO 0.02 -0.46 0.51 0.00 0.00 0.00 0.00 179.25 179.32 2gm2 h ALA 86 N 0.96 1.53 -0.88 0.00 0.00 -1.23 0.31 119.26 119.95 2gm2 h ALA 86 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2gm2 h ALA 86 Cb 0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2gm2 h ALA 86 CO -0.00 0.39 0.49 0.00 0.00 0.00 0.00 179.25 180.14 2gm2 h LEU 88 N 1.23 0.15 -0.75 0.00 6.46 0.39 0.30 115.31 123.09 2gm2 h LEU 88 Ca 0.31 -0.75 0.10 0.00 -0.12 0.00 0.00 57.88 57.43 2gm2 h LEU 88 Cb 0.01 -0.05 -0.08 0.00 -0.73 0.00 0.00 40.66 39.82 2gm2 h LEU 88 CO -0.05 0.88 0.37 0.74 -0.62 0.00 0.00 178.44 179.76 2gm2 h THR 89 N -0.56 0.83 -0.02 1.05 2.02 -0.40 -1.35 112.91 114.48 2gm2 h THR 89 Ca -0.02 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2gm2 h THR 89 Cb 0.90 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 2gm2 h THR 89 CO 0.03 0.11 -0.19 0.54 0.37 0.00 0.00 175.52 176.39 2gm2 n ARG 90 N -4.86 1.66 -3.16 6.66 1.74 -1.05 -4.96 116.66 112.69 2gm2 n ARG 90 Ca 0.12 -1.28 -0.15 0.00 -0.77 0.00 0.00 57.85 55.77 2gm2 n ARG 90 Cb 0.30 -1.47 0.05 0.00 -1.02 0.00 0.00 32.46 30.33 2gm2 n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gm2 n GLY 91 N 1.34 -0.05 3.78 -0.13 0.00 -0.51 -4.99 105.19 104.63 2gm2 n GLY 91 Ca 0.13 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2gm2 n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gm2 s ILE 92 N -3.22 4.39 -1.11 -0.61 -1.09 0.99 -4.98 121.20 115.57 2gm2 s ILE 92 Ca 0.30 1.68 -0.18 0.00 -2.23 0.00 0.00 60.65 60.22 2gm2 s ILE 92 Cb -0.13 -4.13 0.11 0.00 -1.58 0.00 0.00 42.46 36.73 2gm2 s ILE 92 CO 0.48 0.52 1.43 -0.83 -1.23 0.00 0.00 174.94 175.31 2gm2 s GLY 93 N -1.12 1.84 -0.53 6.18 0.00 0.02 -4.76 107.32 108.94 2gm2 s GLY 93 Ca 0.35 -2.85 -0.23 0.00 0.00 0.00 0.00 44.72 42.00 2gm2 s GLY 93 CO 0.26 2.35 0.84 -2.27 0.00 0.00 0.00 173.10 174.27 2gm2 s LEU 94 N 3.27 4.37 -0.39 0.66 2.96 -1.26 0.23 118.68 128.52 2gm2 s LEU 94 Ca 0.43 -0.52 -0.07 0.00 -0.22 0.00 0.00 54.13 53.75 2gm2 s LEU 94 Cb -0.01 -2.71 0.07 0.00 0.50 0.00 0.00 46.19 44.03 2gm2 s LEU 94 CO -0.03 -1.11 0.20 -0.70 -1.32 0.00 0.00 176.35 173.39 2gm2 s GLU 95 N 3.52 2.53 -0.34 1.98 2.56 0.48 -4.98 118.70 124.46 2gm2 s GLU 95 Ca 0.26 -1.41 -0.18 0.00 0.00 0.00 0.00 54.97 53.63 2gm2 s GLU 95 Cb -0.15 -3.65 -0.00 0.00 2.00 0.00 0.00 34.13 32.33 2gm2 s GLU 95 CO 0.17 -0.87 0.54 0.00 -0.56 0.00 0.00 175.26 174.53 2gm2 s ALA 96 N 1.38 3.48 0.00 6.30 0.00 -1.26 0.07 121.76 131.74 2gm2 s ALA 96 Ca 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2gm2 s ALA 96 Cb -0.22 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2gm2 s ALA 96 CO 0.01 -1.19 0.00 -1.33 0.00 0.00 0.00 175.76 173.25 2gm2 n MET 97 N 5.78 0.00 -2.55 0.00 2.81 0.15 -4.81 117.12 118.49 2gm2 n MET 97 Ca -0.04 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.49 2gm2 n MET 97 Cb 0.49 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.96 2gm2 n MET 97 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2gm2 s THR 98 N -2.30 3.76 0.44 2.03 -4.23 -1.26 -1.12 115.64 112.97 2gm2 s THR 98 Ca 0.00 1.28 0.16 0.00 -1.18 0.00 0.00 61.69 61.95 2gm2 s THR 98 Cb 0.00 -3.62 0.20 0.00 1.34 0.00 0.00 72.50 70.41 2gm2 s THR 98 CO 0.00 -0.06 2.00 -0.55 -0.54 0.00 0.00 174.62 175.46 2gm2 h ASN 99 N 2.25 0.00 -0.53 3.99 7.08 -1.50 0.70 115.58 127.57 2gm2 h ASN 99 Ca -0.49 0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 52.64 2gm2 h ASN 99 Cb 1.21 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.44 2gm2 h ASN 99 CO 0.61 0.18 -0.02 0.00 -2.08 0.00 0.00 177.43 176.12 2gm2 h ALA 100 N 1.82 0.72 0.02 4.14 0.00 -1.84 -1.44 119.26 122.68 2gm2 h ALA 100 Ca -0.00 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.39 2gm2 h ALA 100 Cb 0.34 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2gm2 h ALA 100 CO 0.02 0.56 -0.96 0.00 0.00 0.00 0.00 179.25 178.88 2gm2 h ALA 101 N 0.94 0.41 -0.81 0.00 0.00 -1.75 -3.20 119.26 114.84 2gm2 h ALA 101 Ca 0.15 -0.75 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 2gm2 h ALA 101 Cb 0.56 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2gm2 h ALA 101 CO 0.03 0.92 0.35 0.00 0.00 0.00 0.00 179.25 180.55 2gm2 h ALA 102 N 0.85 1.08 -0.72 0.00 0.00 -0.77 -1.69 119.26 118.01 2gm2 h ALA 102 Ca -0.06 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.68 2gm2 h ALA 102 Cb 1.61 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 2gm2 h ALA 102 CO 0.15 0.66 0.47 0.00 0.00 0.00 0.00 179.25 180.54 2gm2 h ALA 103 N 1.20 0.93 -0.09 0.00 0.00 -1.26 0.61 119.26 120.65 2gm2 h ALA 103 Ca 0.27 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2gm2 h ALA 103 Cb 0.18 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2gm2 h ALA 103 CO -0.03 0.29 -0.05 -0.09 0.00 0.00 0.00 179.25 179.37 2gm2 h ARG 104 N 0.94 0.20 0.00 0.00 2.43 -1.50 -3.04 114.38 113.41 2gm2 h ARG 104 Ca 0.28 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2gm2 h ARG 104 Cb -0.05 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2gm2 h ARG 104 CO -0.08 0.57 -0.15 1.15 -1.51 0.00 0.00 179.97 179.95 2gm2 h THR 105 N -0.17 1.11 -0.73 0.20 2.02 -1.11 -2.16 112.91 112.07 2gm2 h THR 105 Ca 0.02 -0.51 0.03 0.00 0.77 0.00 0.00 66.41 66.72 2gm2 h THR 105 Cb 0.52 1.27 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 2gm2 h THR 105 CO 0.02 0.15 0.46 0.22 0.37 0.00 0.00 175.52 176.73 2gm2 h TYR 106 N 0.00 0.85 -0.70 3.16 3.20 -0.76 -1.91 116.97 120.80 2gm2 h TYR 106 Ca -0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 2gm2 h TYR 106 Cb 0.26 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 2gm2 h TYR 106 CO 0.00 0.49 0.26 -0.97 -1.64 0.00 0.00 178.16 176.30 2gm2 h ASN 107 N 0.89 0.97 -0.35 -2.11 -0.73 -1.36 0.40 115.58 113.28 2gm2 h ASN 107 Ca 0.29 -0.15 -0.02 0.00 1.87 0.00 0.00 56.30 58.29 2gm2 h ASN 107 Cb 0.02 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.34 2gm2 h ASN 107 CO -0.11 0.88 0.15 0.58 -0.37 0.00 0.00 177.43 178.56 2gm2 h VAL 108 N 1.03 1.18 -0.02 2.57 2.07 -1.38 -1.37 116.25 120.32 2gm2 h VAL 108 Ca 0.23 -0.53 -0.12 0.00 0.82 0.00 0.00 66.70 67.11 2gm2 h VAL 108 Cb 0.22 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2gm2 h VAL 108 CO -0.02 0.19 -0.53 -0.07 0.02 0.00 0.00 177.57 177.17 2gm2 h LEU 109 N 0.43 0.06 -0.60 2.57 3.38 -1.01 -2.48 115.31 117.66 2gm2 h LEU 109 Ca 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2gm2 h LEU 109 Cb 0.16 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2gm2 h LEU 109 CO -0.01 0.57 0.00 0.00 0.09 0.00 0.00 178.44 179.09 2gm2 h ALA 110 N 1.43 1.00 -0.10 1.53 0.00 -0.60 -2.96 119.26 119.56 2gm2 h ALA 110 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2gm2 h ALA 110 Cb 0.95 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2gm2 h ALA 110 CO 0.07 0.00 0.03 0.77 0.00 0.00 0.00 179.25 180.12 2gm2 h SER 111 N 0.00 0.15 0.96 0.00 0.02 -0.76 -2.68 113.55 111.24 2gm2 h SER 111 Ca 0.00 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.65 2gm2 h SER 111 Cb 0.67 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2gm2 h SER 111 CO 0.00 0.33 -0.39 -0.08 -1.14 0.00 0.00 176.83 175.55 2gm2 h GLU 112 N -0.04 0.00 -0.86 3.45 4.81 -1.65 -3.47 114.58 116.82 2gm2 h GLU 112 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2gm2 h GLU 112 Cb 0.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2gm2 h GLU 112 CO -0.00 0.39 0.00 0.41 -0.73 0.00 0.00 179.01 179.08 2gm2 n GLY 113 N 0.40 0.83 3.95 1.92 0.00 -1.01 -5.08 105.19 106.20 2gm2 n GLY 113 Ca 0.00 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 2gm2 n GLY 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gm2 s ARG 114 N -3.09 2.80 -1.09 1.61 0.52 -1.20 -4.98 118.95 113.52 2gm2 s ARG 114 Ca 0.00 -0.50 -0.22 0.00 -0.52 0.00 0.00 55.73 54.48 2gm2 s ARG 114 Cb 0.00 -2.46 -0.01 0.00 0.52 0.00 0.00 34.95 33.00 2gm2 s ARG 114 CO 0.00 -0.56 1.78 1.03 0.02 0.00 0.00 175.30 177.57 2gm2 s ARG 115 N -4.74 3.08 -0.14 3.54 0.52 -1.26 -4.82 118.95 115.12 2gm2 s ARG 115 Ca 0.53 -1.07 -0.06 0.00 -0.52 0.00 0.00 55.73 54.62 2gm2 s ARG 115 Cb -0.10 -5.28 -0.04 0.00 0.52 0.00 0.00 34.95 30.05 2gm2 s ARG 115 CO 0.40 -3.03 0.05 0.54 0.02 0.00 0.00 175.30 173.27 2gm2 s VAL 116 N 7.93 4.72 -0.26 3.52 0.11 -1.26 -0.31 120.40 134.86 2gm2 s VAL 116 Ca 0.61 -0.07 -0.03 0.00 -2.93 0.00 0.00 61.98 59.56 2gm2 s VAL 116 Cb -0.01 -3.08 0.02 0.00 -1.53 0.00 0.00 36.38 31.78 2gm2 s VAL 116 CO 0.02 0.53 -0.03 0.00 -3.33 0.00 0.00 175.10 172.30 2gm2 s ALA 117 N -0.19 2.79 -0.91 1.54 0.00 0.42 -4.25 121.76 121.16 2gm2 s ALA 117 Ca 0.07 -1.46 -0.20 0.00 0.00 0.00 0.00 51.96 50.37 2gm2 s ALA 117 Cb -0.12 -1.80 0.11 0.00 0.00 0.00 0.00 23.12 21.30 2gm2 s ALA 117 CO 0.01 -0.84 1.16 -1.17 0.00 0.00 0.00 175.76 174.93 2gm2 s LEU 118 N 1.37 4.69 -0.60 0.00 2.96 0.80 -1.06 118.68 126.84 2gm2 s LEU 118 Ca 0.01 -1.80 -0.24 0.00 -0.22 0.00 0.00 54.13 51.87 2gm2 s LEU 118 Cb -0.17 -2.43 0.05 0.00 0.50 0.00 0.00 46.19 44.14 2gm2 s LEU 118 CO -0.03 -1.19 1.00 0.00 -1.32 0.00 0.00 176.35 174.81 2gm2 s ALA 119 N 3.27 3.09 -0.35 5.97 0.00 -0.03 -0.99 121.76 132.73 2gm2 s ALA 119 Ca 0.34 -1.37 -0.12 0.00 0.00 0.00 0.00 51.96 50.81 2gm2 s ALA 119 Cb -0.05 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.23 2gm2 s ALA 119 CO -0.07 -2.59 0.22 -1.64 0.00 0.00 0.00 175.76 171.68 2gm2 s MET 120 N 4.24 3.17 -0.65 0.00 -1.94 -0.41 -1.07 119.30 122.64 2gm2 s MET 120 Ca 0.30 -0.85 -0.10 0.00 -1.71 0.00 0.00 55.69 53.33 2gm2 s MET 120 Cb -0.13 -3.75 0.17 0.00 2.01 0.00 0.00 34.83 33.12 2gm2 s MET 120 CO 0.17 -0.56 0.53 0.42 -0.01 0.00 0.00 175.02 175.57 2gm2 s ILE 121 N 1.64 4.66 -0.02 2.53 1.01 -0.76 -2.46 121.20 127.80 2gm2 s ILE 121 Ca 0.04 -2.33 -0.02 0.00 0.00 0.00 0.00 60.65 58.34 2gm2 s ILE 121 Cb -0.18 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 2gm2 s ILE 121 CO 0.08 -0.90 0.13 -0.69 0.00 0.00 0.00 174.94 173.56 2gm2 s VAL 122 N 0.57 5.09 0.00 2.92 1.01 0.11 -1.17 120.40 128.93 2gm2 s VAL 122 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2gm2 s VAL 122 Cb -0.19 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2gm2 s VAL 122 CO -0.04 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.05 2gm2 n GLY 123 N 1.22 1.58 0.00 4.51 0.00 -1.05 -3.40 105.19 108.04 2gm2 n GLY 123 Ca -0.13 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2gm2 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gm2 n GLY 124 N 0.00 0.71 3.07 -0.02 0.00 -1.24 -4.92 105.19 102.79 2gm2 n GLY 124 Ca 0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 2gm2 n GLY 124 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2gm2 s LEU 125 N 0.00 2.24 0.04 0.99 2.34 -1.26 -4.46 118.68 118.56 2gm2 s LEU 125 Ca 0.00 -0.52 0.03 0.00 0.06 0.00 0.00 54.13 53.70 2gm2 s LEU 125 Cb 0.00 -0.21 -0.02 0.00 -0.56 0.00 0.00 46.19 45.40 2gm2 s LEU 125 CO 0.00 -0.17 -0.08 -0.70 -1.06 0.00 0.00 176.35 174.34 2gm2 s GLU 126 N -1.47 0.57 0.01 1.48 -6.30 -1.26 -5.03 118.70 106.71 2gm2 s GLU 126 Ca -0.08 -0.66 0.00 0.00 -2.50 0.00 0.00 54.97 51.73 2gm2 s GLU 126 Cb -0.09 -0.43 0.00 0.00 0.00 0.00 0.00 34.13 33.61 2gm2 s GLU 126 CO 0.01 0.09 0.00 0.72 0.02 0.00 0.00 175.26 176.10 2gm2 n HIS 127 N 1.79 -1.83 -2.04 5.30 8.25 -1.26 -4.82 115.22 120.61 2gm2 n HIS 127 Ca -0.20 1.09 -0.32 0.00 -0.26 0.00 0.00 57.72 58.03 2gm2 n HIS 127 Cb 0.55 -2.69 -0.04 0.00 1.12 0.00 0.00 29.99 28.93 2gm2 n HIS 127 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2gm2 s HIS 128 N -0.22 1.72 -0.09 4.41 -3.43 -1.26 -4.90 115.29 111.52 2gm2 s HIS 128 Ca 0.00 0.72 -0.13 0.00 -0.80 0.00 0.00 55.06 54.85 2gm2 s HIS 128 Cb 0.00 -4.06 0.03 0.00 -1.43 0.00 0.00 32.58 27.13 2gm2 s HIS 128 CO 0.00 -2.01 0.34 -1.58 -2.00 0.00 0.00 174.74 169.49 2gm2 s HIS 129 N 9.68 -0.32 0.00 0.38 5.04 -1.26 -4.93 115.29 123.88 2gm2 s HIS 129 Ca 0.69 0.72 0.00 0.00 -1.54 0.00 0.00 55.06 54.93 2gm2 s HIS 129 Cb -0.10 0.12 0.00 0.00 0.04 0.00 0.00 32.58 32.65 2gm2 s HIS 129 CO 0.10 -0.26 0.00 1.58 -2.34 0.00 0.00 174.74 173.81 2gm2 n HIS 130 N 2.31 0.00 -3.47 3.88 -0.00 -1.26 -4.86 115.22 111.83 2gm2 n HIS 130 Ca -0.16 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.60 2gm2 n HIS 130 Cb 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.55 2gm2 n HIS 130 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2gm2 n HIS 131 N 0.00 -2.04 -1.44 1.57 -0.00 -1.26 -5.34 115.22 106.71 2gm2 n HIS 131 Ca 0.00 0.34 0.00 0.00 -0.00 0.00 0.00 57.72 58.06 2gm2 n HIS 131 Cb 0.00 -0.50 0.00 0.00 -0.00 0.00 0.00 29.99 29.49 2gm2 n HIS 131 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95