#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g12 s LEU 3 N 0.00 1.36 -0.03 1.04 2.96 -1.26 -5.14 118.68 117.61 3g12 s LEU 3 Ca 0.00 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 3g12 s LEU 3 Cb 0.00 -0.15 0.01 0.00 0.50 0.00 0.00 46.19 46.55 3g12 s LEU 3 CO 0.00 -0.08 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.14 3g12 s LEU 4 N 0.76 1.54 -0.26 -0.68 1.43 -1.26 -5.11 118.68 115.10 3g12 s LEU 4 Ca -0.07 -0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 52.62 3g12 s LEU 4 Cb -0.10 -0.41 -0.00 0.00 0.03 0.00 0.00 46.19 45.71 3g12 s LEU 4 CO -0.02 -0.01 1.26 -0.63 0.23 0.00 0.00 176.35 177.19 3g12 s ILE 5 N 0.58 4.23 -0.04 -0.59 1.01 -1.26 -4.90 121.20 120.22 3g12 s ILE 5 Ca -0.08 1.42 0.08 0.00 0.00 0.00 0.00 60.65 62.08 3g12 s ILE 5 Cb -0.11 -4.14 -0.12 0.00 0.01 0.00 0.00 42.46 38.10 3g12 s ILE 5 CO 0.00 -0.37 0.12 0.35 0.00 0.00 0.00 174.94 175.04 3g12 n THR 6 N 5.92 0.27 -3.71 2.92 -2.24 -1.26 -4.57 114.28 111.60 3g12 n THR 6 Ca 0.14 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 3g12 n THR 6 Cb 0.46 -0.20 -0.10 0.00 -2.10 0.00 0.00 70.33 68.40 3g12 n THR 6 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3g12 s SER 7 N -3.50 -0.51 -0.18 3.42 1.04 -1.26 -0.02 113.70 112.69 3g12 s SER 7 Ca -0.04 0.94 -0.03 0.00 0.48 0.00 0.00 55.95 57.31 3g12 s SER 7 Cb 0.04 0.92 -0.01 0.00 0.10 0.00 0.00 66.02 67.07 3g12 s SER 7 CO 0.36 -0.17 -0.07 -0.63 0.98 0.00 0.00 173.24 173.71 3g12 s ILE 8 N 0.55 3.31 -0.08 -1.02 -1.09 -0.10 -4.92 121.20 117.86 3g12 s ILE 8 Ca -0.03 -0.54 0.03 0.00 -2.23 0.00 0.00 60.65 57.89 3g12 s ILE 8 Cb -0.04 -2.46 0.00 0.00 -1.58 0.00 0.00 42.46 38.38 3g12 s ILE 8 CO -0.03 0.47 -0.18 -0.89 -1.23 0.00 0.00 174.94 173.07 3g12 s THR 9 N 0.99 1.60 -0.18 2.92 2.01 -1.26 -1.38 115.64 120.34 3g12 s THR 9 Ca -0.00 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.24 3g12 s THR 9 Cb -0.15 -1.40 0.02 0.00 0.01 0.00 0.00 72.50 70.98 3g12 s THR 9 CO -0.00 0.46 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.57 3g12 s ILE 10 N 0.40 1.99 -0.28 1.82 1.01 -0.73 -5.00 121.20 120.41 3g12 s ILE 10 Ca -0.14 -0.95 -0.25 0.00 0.00 0.00 0.00 60.65 59.31 3g12 s ILE 10 Cb -0.16 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.48 3g12 s ILE 10 CO 0.06 0.48 0.85 0.20 0.00 0.00 0.00 174.94 176.53 3g12 s ASN 11 N 1.31 6.78 0.02 3.58 0.01 -1.26 -1.46 114.94 123.92 3g12 s ASN 11 Ca 0.04 0.88 0.05 0.00 -0.71 0.00 0.00 52.86 53.12 3g12 s ASN 11 Cb -0.14 -2.44 -0.02 0.00 0.41 0.00 0.00 41.25 39.07 3g12 s ASN 11 CO -0.12 -0.62 -0.14 0.28 -1.51 0.00 0.00 177.10 174.98 3g12 s THR 12 N 3.03 1.14 -2.08 1.60 -1.32 0.14 -4.89 115.64 113.26 3g12 s THR 12 Ca 0.36 -0.83 0.20 0.00 -1.21 0.00 0.00 61.69 60.20 3g12 s THR 12 Cb -0.14 -1.00 0.54 0.00 -1.51 0.00 0.00 72.50 70.39 3g12 s THR 12 CO 0.11 0.15 1.46 -1.54 -2.21 0.00 0.00 174.62 172.59 3g12 n SER 13 N 2.26 3.34 -2.86 8.08 3.41 -1.26 -0.83 113.62 125.76 3g12 n SER 13 Ca -0.16 -1.99 -0.23 0.00 -0.26 0.00 0.00 58.87 56.23 3g12 n SER 13 Cb 0.55 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 3g12 n SER 13 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3g12 n HIS 14 N 1.34 2.72 -0.15 7.33 8.25 -1.26 -4.87 115.22 128.57 3g12 n HIS 14 Ca 0.21 -3.62 -0.03 0.00 -0.26 0.00 0.00 57.72 54.02 3g12 n HIS 14 Cb 0.54 -0.37 0.06 0.00 1.12 0.00 0.00 29.99 31.33 3g12 n HIS 14 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3g12 h LEU 15 N 2.90 -0.03 -0.44 2.41 6.46 -1.92 -0.86 115.31 123.83 3g12 h LEU 15 Ca 0.14 0.09 -0.08 0.00 -0.12 0.00 0.00 57.88 57.90 3g12 h LEU 15 Cb 0.78 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 3g12 h LEU 15 CO 0.72 0.01 -0.06 1.56 -0.62 0.00 0.00 178.44 180.06 3g12 h GLN 16 N 0.21 0.81 -0.61 1.25 1.08 -1.97 0.29 115.11 116.17 3g12 h GLN 16 Ca 0.24 -0.29 -0.07 0.00 -1.45 0.00 0.00 58.65 57.08 3g12 h GLN 16 Cb 0.32 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 3g12 h GLN 16 CO -0.32 0.90 0.12 0.78 -0.95 0.00 0.00 178.83 179.36 3g12 h GLY 17 N 0.65 1.08 1.23 3.46 0.00 -1.84 -1.38 103.07 106.27 3g12 h GLY 17 Ca 0.12 -0.70 -0.16 0.00 0.00 0.00 0.00 47.33 46.59 3g12 h GLY 17 CO 0.03 0.65 -0.40 -0.33 0.00 0.00 0.00 176.54 176.49 3g12 h MET 18 N 0.91 0.84 -0.33 4.80 2.86 -0.99 -0.15 114.93 122.86 3g12 h MET 18 Ca 0.19 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3g12 h MET 18 Cb 0.40 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 3g12 h MET 18 CO 0.01 1.08 0.21 -0.07 1.06 0.00 0.00 176.91 179.20 3g12 h LEU 19 N 0.68 0.39 -0.50 1.22 3.38 -0.86 -0.87 115.31 118.76 3g12 h LEU 19 Ca 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3g12 h LEU 19 Cb 0.98 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3g12 h LEU 19 CO 0.09 0.30 0.31 1.23 0.09 0.00 0.00 178.44 180.47 3g12 h GLY 20 N 0.44 0.71 0.77 0.83 0.00 -1.13 -1.24 103.07 103.45 3g12 h GLY 20 Ca 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3g12 h GLY 20 CO -0.02 0.27 -0.35 -2.75 0.00 0.00 0.00 176.54 173.68 3g12 h PHE 21 N 0.67 -0.95 0.00 5.60 3.57 -0.81 -2.85 116.94 122.17 3g12 h PHE 21 Ca 0.18 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3g12 h PHE 21 Cb -0.04 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.04 3g12 h PHE 21 CO -0.03 -0.52 0.00 1.88 -2.23 0.00 0.00 178.31 177.40 3g12 h TYR 22 N -0.83 0.00 -0.31 0.41 0.05 -1.13 -2.57 116.97 112.59 3g12 h TYR 22 Ca -0.05 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.64 3g12 h TYR 22 Cb 0.70 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 3g12 h TYR 22 CO -0.14 0.00 -0.15 0.00 -1.05 0.00 0.00 178.16 176.83 3g12 h ARG 23 N 0.00 0.64 -0.73 4.88 3.08 -1.18 -1.12 114.38 119.96 3g12 h ARG 23 Ca 0.00 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 3g12 h ARG 23 Cb 0.66 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 3g12 h ARG 23 CO 0.00 0.86 0.36 0.82 -1.07 0.00 0.00 179.97 180.94 3g12 h ILE 24 N 0.40 1.23 -0.84 2.04 2.04 -1.23 -2.21 117.51 118.93 3g12 h ILE 24 Ca 0.07 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 3g12 h ILE 24 Cb 0.67 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 3g12 h ILE 24 CO 0.04 0.27 0.42 0.40 0.00 0.00 0.00 178.15 179.29 3g12 h ILE 25 N 1.02 1.25 0.00 -0.67 2.04 -1.47 -3.47 117.51 116.22 3g12 h ILE 25 Ca 0.25 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3g12 h ILE 25 Cb 0.09 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3g12 h ILE 25 CO -0.03 0.30 0.00 0.61 0.00 0.00 0.00 178.15 179.02 3g12 n GLY 26 N -1.07 -0.89 3.76 5.37 0.00 -0.83 -4.99 105.19 106.53 3g12 n GLY 26 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3g12 n GLY 26 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g12 s PHE 27 N 0.00 3.94 -0.40 1.61 0.08 -0.46 -5.00 117.98 117.76 3g12 s PHE 27 Ca 0.00 1.81 -0.05 0.00 0.12 0.00 0.00 56.93 58.81 3g12 s PHE 27 Cb 0.00 -2.90 0.09 0.00 -0.57 0.00 0.00 43.02 39.64 3g12 s PHE 27 CO 0.00 0.46 0.20 -0.65 -0.10 0.00 0.00 175.22 175.13 3g12 s GLN 28 N -1.24 2.30 0.08 0.44 -0.21 -1.26 -4.19 119.66 115.58 3g12 s GLN 28 Ca 0.40 -1.60 -0.21 0.00 0.02 0.00 0.00 55.36 53.97 3g12 s GLN 28 Cb -0.24 -3.60 -0.07 0.00 1.00 0.00 0.00 33.01 30.10 3g12 s GLN 28 CO 0.29 -0.96 0.62 -0.06 -2.12 0.00 0.00 175.29 173.06 3g12 s PHE 29 N 1.27 3.80 -0.16 0.91 0.08 -1.26 -4.32 117.98 118.30 3g12 s PHE 29 Ca 0.04 1.33 -0.02 0.00 0.12 0.00 0.00 56.93 58.41 3g12 s PHE 29 Cb -0.23 -2.57 -0.01 0.00 -0.57 0.00 0.00 43.02 39.64 3g12 s PHE 29 CO -0.01 0.53 -0.10 0.99 -0.10 0.00 0.00 175.22 176.53 3g12 s THR 30 N -0.93 3.23 0.57 0.64 2.01 0.73 -4.89 115.64 117.00 3g12 s THR 30 Ca 0.31 -0.58 -0.17 0.00 0.31 0.00 0.00 61.69 61.55 3g12 s THR 30 Cb -0.20 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 3g12 s THR 30 CO 0.20 0.49 1.08 0.00 -0.69 0.00 0.00 174.62 175.70 3g12 s ALA 31 N 0.67 2.72 0.00 7.40 0.00 -1.26 -1.66 121.76 129.62 3g12 s ALA 31 Ca -0.05 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.47 3g12 s ALA 31 Cb -0.15 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3g12 s ALA 31 CO 0.02 -0.75 0.00 0.43 0.00 0.00 0.00 175.76 175.46 3g12 n SER 32 N -1.68 0.00 0.00 0.00 7.64 -1.17 -4.96 113.62 113.45 3g12 n SER 32 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 3g12 n SER 32 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 3g12 n SER 32 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3g12 n SER 38 N 0.00 0.00 -4.65 6.43 7.64 -1.26 -5.08 113.62 116.70 3g12 n SER 38 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 3g12 n SER 38 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 3g12 n SER 38 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3g12 s GLU 39 N 0.00 4.10 -0.03 1.43 2.12 -1.26 -4.90 118.70 120.16 3g12 s GLU 39 Ca 0.00 1.81 0.02 0.00 0.36 0.00 0.00 54.97 57.16 3g12 s GLU 39 Cb 0.00 -3.90 0.00 0.00 0.26 0.00 0.00 34.13 30.49 3g12 s GLU 39 CO 0.00 -0.90 -0.09 0.54 -0.54 0.00 0.00 175.26 174.27 3g12 s VAL 40 N 4.09 0.80 -0.08 3.70 0.11 -1.26 -1.00 120.40 126.76 3g12 s VAL 40 Ca 0.64 -0.36 0.03 0.00 -2.93 0.00 0.00 61.98 59.36 3g12 s VAL 40 Cb -0.26 -0.72 0.01 0.00 -1.53 0.00 0.00 36.38 33.88 3g12 s VAL 40 CO 0.23 0.25 -0.16 -1.00 -3.33 0.00 0.00 175.10 171.10 3g12 s HIS 41 N 0.27 1.81 -0.09 1.54 3.76 -0.81 -3.04 115.29 118.73 3g12 s HIS 41 Ca -0.04 -0.72 0.04 0.00 -0.15 0.00 0.00 55.06 54.19 3g12 s HIS 41 Cb -0.09 -1.28 -0.00 0.00 1.11 0.00 0.00 32.58 32.31 3g12 s HIS 41 CO 0.01 -0.34 -0.23 1.03 -0.85 0.00 0.00 174.74 174.36 3g12 s ARG 42 N 0.62 2.78 0.00 1.40 0.52 -0.67 -1.03 118.95 122.58 3g12 s ARG 42 Ca -0.15 -0.82 0.07 0.00 -0.52 0.00 0.00 55.73 54.31 3g12 s ARG 42 Cb -0.16 -2.15 -0.03 0.00 0.52 0.00 0.00 34.95 33.13 3g12 s ARG 42 CO 0.04 0.19 -0.19 0.00 0.02 0.00 0.00 175.30 175.36 3g12 s ALA 43 N 0.29 2.49 -0.15 2.13 0.00 0.07 -0.19 121.76 126.40 3g12 s ALA 43 Ca -0.16 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 50.69 3g12 s ALA 43 Cb -0.17 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.23 3g12 s ALA 43 CO 0.07 0.56 -0.19 0.54 0.00 0.00 0.00 175.76 176.74 3g12 s VAL 44 N -0.80 1.91 -0.06 0.00 0.11 -1.26 0.74 120.40 121.04 3g12 s VAL 44 Ca 0.13 -0.87 -0.02 0.00 -2.93 0.00 0.00 61.98 58.28 3g12 s VAL 44 Cb -0.10 -1.72 0.04 0.00 -1.53 0.00 0.00 36.38 33.06 3g12 s VAL 44 CO 0.02 0.52 0.10 -2.28 -3.33 0.00 0.00 175.10 170.13 3g12 s HIS 45 N 1.07 -0.05 -1.48 1.54 5.04 0.45 -4.86 115.29 117.01 3g12 s HIS 45 Ca -0.02 0.40 -0.11 0.00 -1.54 0.00 0.00 55.06 53.80 3g12 s HIS 45 Cb -0.14 -0.36 0.07 0.00 0.04 0.00 0.00 32.58 32.18 3g12 s HIS 45 CO -0.06 -0.22 0.93 0.09 -2.34 0.00 0.00 174.74 173.14 3g12 n ASN 46 N 5.21 -4.11 0.00 9.88 3.02 -1.26 -2.14 115.26 125.86 3g12 n ASN 46 Ca -0.06 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 3g12 n ASN 46 Cb 0.50 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.72 3g12 n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g12 n GLY 47 N -1.69 1.69 3.65 7.41 0.00 -1.26 -5.01 105.19 109.97 3g12 n GLY 47 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3g12 n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g12 s VAL 48 N -3.58 4.80 -0.33 1.61 1.01 -0.91 -4.69 120.40 118.30 3g12 s VAL 48 Ca 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.77 3g12 s VAL 48 Cb 0.00 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 3g12 s VAL 48 CO 0.00 0.48 0.50 -0.70 0.00 0.00 0.00 175.10 175.38 3g12 s GLU 49 N 0.22 3.72 -0.42 2.72 2.12 0.98 -0.41 118.70 127.62 3g12 s GLU 49 Ca 0.04 -0.08 -0.14 0.00 0.36 0.00 0.00 54.97 55.15 3g12 s GLU 49 Cb -0.12 -3.77 0.04 0.00 0.26 0.00 0.00 34.13 30.53 3g12 s GLU 49 CO 0.00 -0.57 0.30 0.12 -0.54 0.00 0.00 175.26 174.58 3g12 s PHE 50 N 2.35 3.25 0.07 5.30 5.36 0.23 -0.92 117.98 133.61 3g12 s PHE 50 Ca 0.19 -0.80 0.06 0.00 -0.96 0.00 0.00 56.93 55.41 3g12 s PHE 50 Cb -0.16 -2.71 -0.04 0.00 -0.34 0.00 0.00 43.02 39.78 3g12 s PHE 50 CO 0.12 -0.66 -0.08 -1.12 -1.46 0.00 0.00 175.22 172.02 3g12 s SER 51 N 1.88 4.51 -0.16 6.13 0.01 -0.48 -0.75 113.70 124.84 3g12 s SER 51 Ca 0.04 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 57.02 3g12 s SER 51 Cb -0.20 -0.94 0.02 0.00 0.21 0.00 0.00 66.02 65.10 3g12 s SER 51 CO 0.08 0.21 -0.16 -0.76 0.41 0.00 0.00 173.24 173.02 3g12 s LEU 52 N -1.94 1.91 -0.11 2.44 1.02 -0.20 -1.78 118.68 120.02 3g12 s LEU 52 Ca 0.20 -0.58 -0.03 0.00 0.02 0.00 0.00 54.13 53.74 3g12 s LEU 52 Cb -0.11 -1.31 -0.03 0.00 0.02 0.00 0.00 46.19 44.75 3g12 s LEU 52 CO 0.12 -0.04 0.02 -0.31 0.02 0.00 0.00 176.35 176.16 3g12 s TYR 53 N 1.40 3.21 -0.21 0.29 2.02 -0.53 -1.93 117.35 121.60 3g12 s TYR 53 Ca 0.05 0.18 -0.27 0.00 -0.37 0.00 0.00 57.07 56.66 3g12 s TYR 53 Cb -0.13 -1.85 -0.00 0.00 -0.40 0.00 0.00 41.96 39.57 3g12 s TYR 53 CO -0.12 0.42 0.91 0.45 -1.57 0.00 0.00 175.55 175.65 3g12 s SER 54 N -0.65 6.98 0.39 2.29 0.15 -0.17 0.24 113.70 122.92 3g12 s SER 54 Ca 0.11 1.22 0.05 0.00 0.70 0.00 0.00 55.95 58.03 3g12 s SER 54 Cb -0.12 -2.48 -0.07 0.00 -1.71 0.00 0.00 66.02 61.64 3g12 s SER 54 CO 0.02 -0.53 0.03 0.27 1.20 0.00 0.00 173.24 174.23 3g12 s ILE 55 N 2.73 1.59 0.49 6.45 -4.36 -0.01 -4.41 121.20 123.67 3g12 s ILE 55 Ca 0.40 -2.00 -0.09 0.00 -0.26 0.00 0.00 60.65 58.69 3g12 s ILE 55 Cb -0.16 -2.84 -0.05 0.00 1.25 0.00 0.00 42.46 40.66 3g12 s ILE 55 CO 0.09 0.00 0.85 -1.10 0.24 0.00 0.00 174.94 175.02 3g12 s GLN 56 N -3.79 3.67 -0.16 0.37 -1.52 -1.26 -4.03 119.66 112.93 3g12 s GLN 56 Ca 0.33 0.48 -0.34 0.00 -1.95 0.00 0.00 55.36 53.88 3g12 s GLN 56 Cb 0.09 -2.29 -0.11 0.00 -0.22 0.00 0.00 33.01 30.47 3g12 s GLN 56 CO 0.16 -0.24 1.97 0.09 -0.25 0.00 0.00 175.29 177.02 3g12 n ASN 57 N -2.01 3.14 0.00 5.90 4.13 -1.26 -4.79 115.26 120.38 3g12 n ASN 57 Ca 0.03 0.79 0.05 0.00 1.68 0.00 0.00 54.58 57.13 3g12 n ASN 57 Cb 0.54 -1.36 0.26 0.00 -1.54 0.00 0.00 39.78 37.68 3g12 n ASN 57 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 3g12 n PRO 58 N 7.10 0.13 -0.19 3.52 -0.02 -1.26 -4.85 135.00 139.42 3g12 n PRO 58 Ca 0.27 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3g12 n PRO 58 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 3g12 n PRO 58 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3g12 n GLN 59 N -1.32 0.00 -3.53 -0.52 6.02 -1.26 -4.79 117.38 111.98 3g12 n GLN 59 Ca 0.05 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.74 3g12 n GLN 59 Cb 0.09 -3.40 -0.13 0.00 1.02 0.00 0.00 30.24 27.82 3g12 n GLN 59 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3g12 s ARG 60 N -0.20 0.67 -0.17 -1.09 0.52 -1.26 -5.12 118.95 112.29 3g12 s ARG 60 Ca 0.00 -1.38 -0.29 0.00 -0.52 0.00 0.00 55.73 53.54 3g12 s ARG 60 Cb 0.00 -1.53 -0.01 0.00 0.52 0.00 0.00 34.95 33.93 3g12 s ARG 60 CO 0.00 -1.17 1.23 -1.12 0.02 0.00 0.00 175.30 174.26 3g12 s SER 61 N 1.05 6.96 0.02 0.23 0.01 -1.26 -5.02 113.70 115.69 3g12 s SER 61 Ca 0.17 1.65 0.01 0.00 1.31 0.00 0.00 55.95 59.09 3g12 s SER 61 Cb -0.22 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 3g12 s SER 61 CO -0.04 -0.75 0.05 -1.58 0.41 0.00 0.00 173.24 171.33 3g12 s GLN 62 N 3.45 2.89 -0.08 12.44 2.00 -1.26 -5.09 119.66 134.02 3g12 s GLN 62 Ca 0.53 -0.60 -0.30 0.00 -2.00 0.00 0.00 55.36 53.00 3g12 s GLN 62 Cb -0.21 -2.74 -0.04 0.00 0.80 0.00 0.00 33.01 30.82 3g12 s GLN 62 CO 0.14 0.61 1.41 0.96 -0.50 0.00 0.00 175.29 177.91 3g12 s ILE 63 N -1.21 3.92 0.68 -2.34 -4.36 -1.26 -5.00 121.20 111.62 3g12 s ILE 63 Ca 0.23 1.18 -0.15 0.00 -0.26 0.00 0.00 60.65 61.65 3g12 s ILE 63 Cb -0.12 -3.76 0.01 0.00 1.25 0.00 0.00 42.46 39.84 3g12 s ILE 63 CO 0.15 -0.07 1.13 -2.84 0.24 0.00 0.00 174.94 173.55 3g12 s PRO 64 N 3.31 2.64 0.15 0.37 0.02 -1.26 -4.97 135.00 135.25 3g12 s PRO 64 Ca 0.63 1.48 0.24 0.00 0.02 0.00 0.00 61.00 63.37 3g12 s PRO 64 Cb -0.28 -1.92 0.41 0.00 0.02 0.00 0.00 34.50 32.73 3g12 s PRO 64 CO 0.23 -1.39 1.39 0.77 -0.33 0.00 0.00 177.00 177.67 3g12 h SER 65 N -0.05 0.00 -3.42 2.53 0.02 -1.95 -3.47 113.55 107.21 3g12 h SER 65 Ca -0.47 -0.16 -0.55 0.00 -0.84 0.00 0.00 61.79 59.78 3g12 h SER 65 Cb 1.26 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.76 3g12 h SER 65 CO 0.53 0.08 0.14 -0.22 -1.14 0.00 0.00 176.83 176.22 3g12 s LEU 66 N -4.41 4.46 0.01 5.07 2.96 -1.26 -5.07 118.68 120.43 3g12 s LEU 66 Ca 0.07 1.43 0.07 0.00 -0.22 0.00 0.00 54.13 55.47 3g12 s LEU 66 Cb 0.13 -3.19 -0.02 0.00 0.50 0.00 0.00 46.19 43.60 3g12 s LEU 66 CO 0.70 0.05 -0.21 -1.10 -1.32 0.00 0.00 176.35 174.47 3g12 s GLN 67 N -0.19 1.56 0.17 1.98 -0.21 -1.26 -4.24 119.66 117.47 3g12 s GLN 67 Ca 0.37 -0.80 0.11 0.00 0.02 0.00 0.00 55.36 55.06 3g12 s GLN 67 Cb -0.20 -1.57 -0.04 0.00 1.00 0.00 0.00 33.01 32.20 3g12 s GLN 67 CO 0.22 0.42 -0.25 -0.51 -2.12 0.00 0.00 175.29 173.05 3g12 s LEU 68 N -0.73 2.39 -0.06 2.90 1.43 -1.09 -5.04 118.68 118.48 3g12 s LEU 68 Ca 0.08 -0.82 0.03 0.00 -1.03 0.00 0.00 54.13 52.38 3g12 s LEU 68 Cb -0.08 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 44.96 3g12 s LEU 68 CO 0.00 0.14 -0.13 -0.83 0.23 0.00 0.00 176.35 175.77 3g12 s GLY 69 N -2.42 0.80 0.02 -3.19 0.00 -1.26 -0.51 107.32 100.77 3g12 s GLY 69 Ca 0.18 -0.45 0.06 0.00 0.00 0.00 0.00 44.72 44.51 3g12 s GLY 69 CO 0.08 0.04 -0.17 -1.36 0.00 0.00 0.00 173.10 171.70 3g12 s PHE 70 N 0.56 1.50 -0.23 1.90 0.08 0.42 -4.97 117.98 117.24 3g12 s PHE 70 Ca -0.13 -0.33 -0.10 0.00 0.12 0.00 0.00 56.93 56.49 3g12 s PHE 70 Cb -0.15 -0.91 -0.05 0.00 -0.57 0.00 0.00 43.02 41.34 3g12 s PHE 70 CO 0.04 0.04 0.13 -0.65 -0.10 0.00 0.00 175.22 174.67 3g12 s GLN 71 N -0.91 4.02 0.20 0.44 -0.21 -1.26 -0.96 119.66 120.98 3g12 s GLN 71 Ca 0.05 -0.30 0.01 0.00 0.02 0.00 0.00 55.36 55.14 3g12 s GLN 71 Cb -0.08 -3.44 -0.05 0.00 1.00 0.00 0.00 33.01 30.45 3g12 s GLN 71 CO 0.01 0.10 0.06 0.96 -2.12 0.00 0.00 175.29 174.29 3g12 s ILE 72 N 0.91 0.46 0.11 1.08 -4.36 0.20 -4.95 121.20 114.65 3g12 s ILE 72 Ca 0.06 -1.98 0.03 0.00 -0.26 0.00 0.00 60.65 58.50 3g12 s ILE 72 Cb -0.13 -2.31 -0.04 0.00 1.25 0.00 0.00 42.46 41.23 3g12 s ILE 72 CO 0.03 -0.27 0.17 0.42 0.24 0.00 0.00 174.94 175.53 3g12 s THR 73 N -3.81 4.92 -0.99 8.37 -4.23 -1.26 -4.20 115.64 114.44 3g12 s THR 73 Ca 0.30 -0.74 -0.08 0.00 -1.18 0.00 0.00 61.69 60.00 3g12 s THR 73 Cb 0.07 -3.45 -0.04 0.00 1.34 0.00 0.00 72.50 70.42 3g12 s THR 73 CO 0.08 0.02 0.83 0.47 -0.54 0.00 0.00 174.62 175.47 3g12 n ASP 74 N -0.03 -6.59 -0.02 3.99 10.43 -1.26 -4.81 116.55 118.27 3g12 n ASP 74 Ca -0.07 -0.63 -0.09 0.00 2.57 0.00 0.00 54.79 56.56 3g12 n ASP 74 Cb 0.53 -4.72 -0.03 0.00 1.84 0.00 0.00 41.12 38.74 3g12 n ASP 74 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3g12 h LEU 75 N -0.86 -0.23 -0.67 0.64 5.85 -1.94 -0.40 115.31 117.70 3g12 h LEU 75 Ca -0.48 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.22 3g12 h LEU 75 Cb 1.25 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 3g12 h LEU 75 CO 0.41 -0.09 0.10 -0.33 -0.34 0.00 0.00 178.44 178.20 3g12 h GLU 76 N -0.05 1.11 -0.27 1.25 5.08 -1.99 -1.13 114.58 118.58 3g12 h GLU 76 Ca 0.08 -0.30 -0.14 0.00 -1.00 0.00 0.00 59.36 58.01 3g12 h GLU 76 Cb 0.17 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3g12 h GLU 76 CO -0.19 1.02 -0.40 0.87 -1.00 0.00 0.00 179.01 179.32 3g12 h LYS 77 N 1.04 0.63 -0.17 2.33 1.79 -1.91 -2.36 116.57 117.91 3g12 h LYS 77 Ca 0.20 -0.32 -0.03 0.00 -2.18 0.00 0.00 60.65 58.33 3g12 h LYS 77 Cb 0.45 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 3g12 h LYS 77 CO 0.01 0.91 0.01 1.15 -1.08 0.00 0.00 179.45 180.46 3g12 h THR 78 N 0.52 1.24 -0.92 -0.16 2.02 -0.84 -2.81 112.91 111.96 3g12 h THR 78 Ca 0.04 -0.81 0.03 0.00 0.77 0.00 0.00 66.41 66.44 3g12 h THR 78 Cb 0.91 1.44 -0.05 0.00 -1.74 0.00 0.00 68.15 68.71 3g12 h THR 78 CO 0.08 0.24 0.60 0.58 0.37 0.00 0.00 175.52 177.40 3g12 h VAL 79 N 0.06 1.19 -0.87 3.16 2.07 -1.19 -0.56 116.25 120.11 3g12 h VAL 79 Ca 0.05 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 67.23 3g12 h VAL 79 Cb 0.36 -0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 29.95 3g12 h VAL 79 CO 0.01 0.22 0.54 1.56 0.02 0.00 0.00 177.57 179.91 3g12 h GLN 80 N 1.19 0.93 -0.02 1.57 4.20 -1.37 -2.35 115.11 119.26 3g12 h GLN 80 Ca 0.36 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.83 3g12 h GLN 80 Cb -0.05 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 3g12 h GLN 80 CO -0.10 0.62 -0.78 0.93 -0.67 0.00 0.00 178.83 178.83 3g12 h GLU 81 N 0.96 0.21 -0.19 1.46 5.08 -1.12 -3.32 114.58 117.66 3g12 h GLU 81 Ca 0.38 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.42 3g12 h GLU 81 Cb 0.20 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3g12 h GLU 81 CO -0.18 0.89 -0.44 -0.07 -1.00 0.00 0.00 179.01 178.20 3g12 h LEU 82 N 0.13 0.50 0.00 1.33 3.38 -0.62 -2.63 115.31 117.40 3g12 h LEU 82 Ca -0.03 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3g12 h LEU 82 Cb 1.36 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3g12 h LEU 82 CO 0.12 0.88 0.00 0.52 0.09 0.00 0.00 178.44 180.05 3g12 n VAL 83 N -4.00 0.13 1.47 1.22 0.31 -0.97 -1.87 118.33 114.61 3g12 n VAL 83 Ca -0.02 0.03 0.14 0.00 -0.01 0.00 0.00 64.34 64.48 3g12 n VAL 83 Cb 0.53 -0.62 0.55 0.00 -0.91 0.00 0.00 33.84 33.39 3g12 n VAL 83 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3g12 n LYS 84 N -1.18 1.15 -3.32 5.55 5.02 -0.99 -4.82 118.16 119.56 3g12 n LYS 84 Ca 0.15 -0.57 -0.38 0.00 -2.02 0.00 0.00 58.31 55.49 3g12 n LYS 84 Cb 0.16 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.62 3g12 n LYS 84 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3g12 s ILE 85 N -2.24 5.17 0.04 -0.18 -1.09 -0.78 -5.04 121.20 117.08 3g12 s ILE 85 Ca 0.33 0.88 -0.35 0.00 -2.23 0.00 0.00 60.65 59.28 3g12 s ILE 85 Cb 0.20 -3.80 -0.14 0.00 -1.58 0.00 0.00 42.46 37.14 3g12 s ILE 85 CO 0.42 0.26 1.60 -2.65 -1.23 0.00 0.00 174.94 173.34 3g12 n PRO 86 N 4.22 1.77 0.00 2.79 -0.02 -1.26 -1.83 135.00 140.68 3g12 n PRO 86 Ca -0.07 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3g12 n PRO 86 Cb 0.51 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3g12 n PRO 86 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g12 n GLY 87 N 3.47 3.14 3.76 -1.23 0.00 -1.26 -4.66 105.19 108.41 3g12 n GLY 87 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3g12 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g12 s ALA 88 N -2.50 3.43 -0.02 4.61 0.00 -0.76 -4.31 121.76 122.22 3g12 s ALA 88 Ca 0.00 0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.09 3g12 s ALA 88 Cb 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.25 3g12 s ALA 88 CO 0.00 0.15 0.12 0.00 0.00 0.00 0.00 175.76 176.02 3g12 s MET 89 N -0.29 0.30 -0.17 0.00 0.23 -1.15 -4.73 119.30 113.49 3g12 s MET 89 Ca 0.35 -0.14 -0.28 0.00 -1.03 0.00 0.00 55.69 54.59 3g12 s MET 89 Cb -0.20 0.13 -0.00 0.00 -1.53 0.00 0.00 34.83 33.23 3g12 s MET 89 CO 0.21 -0.06 0.98 0.00 -2.03 0.00 0.00 175.02 174.12 3g12 n ILE 91 N 4.92 1.56 -4.05 0.00 -5.35 -0.48 -4.84 119.36 111.11 3g12 n ILE 91 Ca 0.09 -0.59 -0.33 0.00 -0.27 0.00 0.00 62.75 61.64 3g12 n ILE 91 Cb 0.48 -1.48 -0.15 0.00 -1.74 0.00 0.00 39.64 36.74 3g12 n ILE 91 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3g12 s LEU 92 N -6.63 2.65 0.67 7.28 2.96 -0.52 -4.97 118.68 120.12 3g12 s LEU 92 Ca -0.32 -0.78 -0.17 0.00 -0.22 0.00 0.00 54.13 52.64 3g12 s LEU 92 Cb 0.08 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 45.21 3g12 s LEU 92 CO 0.64 -0.06 1.22 -1.81 -1.32 0.00 0.00 176.35 175.03 3g12 s ASP 93 N 1.29 4.63 -0.36 3.68 1.01 -1.26 -1.21 116.67 124.45 3g12 s ASP 93 Ca 0.02 2.41 -0.42 0.00 0.71 0.00 0.00 52.55 55.27 3g12 s ASP 93 Cb -0.15 -2.60 -0.17 0.00 1.01 0.00 0.00 42.92 41.01 3g12 s ASP 93 CO -0.09 -1.97 1.72 -2.65 0.21 0.00 0.00 175.17 172.39 3g12 n PRO 94 N -2.17 0.74 -4.12 8.23 -0.02 -1.25 -4.60 135.00 131.80 3g12 n PRO 94 Ca 0.14 0.27 -0.15 0.00 -2.02 0.00 0.00 63.50 61.74 3g12 n PRO 94 Cb 0.50 -1.90 -0.14 0.00 -0.02 0.00 0.00 33.50 31.94 3g12 n PRO 94 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3g12 s THR 95 N 3.51 0.38 -0.07 3.45 2.01 0.13 -4.94 115.64 120.11 3g12 s THR 95 Ca 1.01 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 62.44 3g12 s THR 95 Cb -1.22 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 3g12 s THR 95 CO 0.71 0.06 1.26 -1.81 -0.69 0.00 0.00 174.62 174.15 3g12 s ASP 96 N -0.24 6.98 0.08 3.53 1.01 -1.26 -0.84 116.67 125.93 3g12 s ASP 96 Ca 0.01 1.86 -0.02 0.00 0.71 0.00 0.00 52.55 55.11 3g12 s ASP 96 Cb -0.03 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 3g12 s ASP 96 CO -0.00 -0.65 0.02 -0.04 0.21 0.00 0.00 175.17 174.70 3g12 s MET 97 N 2.54 0.73 -1.17 8.23 -1.94 -1.26 -4.97 119.30 121.46 3g12 s MET 97 Ca 0.57 -1.27 -0.21 0.00 -1.71 0.00 0.00 55.69 53.08 3g12 s MET 97 Cb -0.26 0.23 -0.05 0.00 2.01 0.00 0.00 34.83 36.76 3g12 s MET 97 CO 0.21 -0.17 1.90 -2.30 -0.01 0.00 0.00 175.02 174.66 3g12 n PRO 98 N 0.03 2.08 0.00 2.03 -0.02 -1.26 -4.39 135.00 133.47 3g12 n PRO 98 Ca -0.11 -2.59 0.00 0.00 -2.02 0.00 0.00 63.50 58.78 3g12 n PRO 98 Cb 0.62 -3.51 0.00 0.00 -0.02 0.00 0.00 33.50 30.59 3g12 n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g12 n GLY 100 N 5.37 0.33 3.74 -1.23 0.00 -1.26 -5.09 105.19 107.05 3g12 n GLY 100 Ca 0.47 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3g12 n GLY 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g12 s LYS 101 N -0.23 4.39 0.00 1.61 2.20 -1.24 -4.75 119.74 121.73 3g12 s LYS 101 Ca 0.00 2.07 0.01 0.00 -0.36 0.00 0.00 55.97 57.69 3g12 s LYS 101 Cb 0.00 -3.18 -0.01 0.00 -1.51 0.00 0.00 37.83 33.14 3g12 s LYS 101 CO 0.00 -0.23 -0.04 0.21 -0.36 0.00 0.00 175.35 174.94 3g12 s LYS 102 N -0.39 0.30 0.00 4.03 2.20 -0.02 -1.84 119.74 124.03 3g12 s LYS 102 Ca 0.55 -0.23 -0.02 0.00 -0.36 0.00 0.00 55.97 55.91 3g12 s LYS 102 Cb -0.37 -0.23 -0.01 0.00 -1.51 0.00 0.00 37.83 35.71 3g12 s LYS 102 CO 0.40 0.06 0.02 0.00 -0.36 0.00 0.00 175.35 175.47 3g12 s ALA 103 N -0.34 -0.03 -0.14 3.13 0.00 -0.42 -0.70 121.76 123.27 3g12 s ALA 103 Ca -0.01 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.70 3g12 s ALA 103 Cb -0.03 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.16 3g12 s ALA 103 CO -0.00 -0.12 -0.20 0.42 0.00 0.00 0.00 175.76 175.86 3g12 s ILE 104 N -0.94 2.26 0.06 0.00 1.01 -0.35 -0.06 121.20 123.18 3g12 s ILE 104 Ca -0.10 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.68 3g12 s ILE 104 Cb -0.06 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 3g12 s ILE 104 CO -0.00 0.54 -0.15 0.54 0.00 0.00 0.00 174.94 175.87 3g12 s VAL 105 N 0.72 1.18 -0.17 2.92 0.11 -0.10 -1.38 120.40 123.68 3g12 s VAL 105 Ca -0.09 -1.21 -0.12 0.00 -2.93 0.00 0.00 61.98 57.63 3g12 s VAL 105 Cb -0.16 -1.10 -0.05 0.00 -1.53 0.00 0.00 36.38 33.54 3g12 s VAL 105 CO 0.01 -0.11 0.23 -0.22 -3.33 0.00 0.00 175.10 171.67 3g12 s LEU 106 N -1.52 4.25 0.63 2.54 2.96 0.02 -0.07 118.68 127.50 3g12 s LEU 106 Ca 0.00 0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 54.25 3g12 s LEU 106 Cb -0.09 -2.25 0.01 0.00 0.50 0.00 0.00 46.19 44.35 3g12 s LEU 106 CO 0.02 0.16 0.99 1.51 -1.32 0.00 0.00 176.35 177.71 3g12 s ASP 107 N 0.25 5.60 0.62 3.68 3.84 -0.59 -2.95 116.67 127.12 3g12 s ASP 107 Ca 0.14 0.94 0.27 0.00 -0.00 0.00 0.00 52.55 53.90 3g12 s ASP 107 Cb -0.12 -1.87 1.38 0.00 -1.38 0.00 0.00 42.92 40.93 3g12 s ASP 107 CO 0.02 -1.14 1.80 -0.65 -0.00 0.00 0.00 175.17 175.19 3g12 h PRO 108 N -0.36 0.00 -0.00 2.11 0.11 -1.83 0.16 132.00 132.19 3g12 h PRO 108 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3g12 h PRO 108 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3g12 h PRO 108 CO 0.62 0.00 -0.27 -0.25 -0.21 0.00 0.00 178.00 177.89 3g12 n ASP 109 N -3.33 0.32 0.00 -2.05 9.92 -1.26 -4.93 116.55 115.22 3g12 n ASP 109 Ca 0.06 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 3g12 n ASP 109 Cb 0.67 -0.06 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 3g12 n ASP 109 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3g12 n GLY 110 N 1.48 0.79 3.74 0.44 0.00 0.58 -4.65 105.19 107.56 3g12 n GLY 110 Ca 0.07 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 3g12 n GLY 110 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3g12 s HIS 111 N -2.00 3.65 -0.41 1.61 3.76 -1.26 -4.51 115.29 116.13 3g12 s HIS 111 Ca 0.00 1.65 -0.29 0.00 -0.15 0.00 0.00 55.06 56.27 3g12 s HIS 111 Cb 0.00 -3.23 0.02 0.00 1.11 0.00 0.00 32.58 30.49 3g12 s HIS 111 CO 0.00 -0.42 1.12 -1.12 -0.85 0.00 0.00 174.74 173.47 3g12 s SER 112 N -0.18 6.75 -0.29 1.40 0.01 -1.26 -1.54 113.70 118.58 3g12 s SER 112 Ca 0.48 0.73 -0.09 0.00 1.31 0.00 0.00 55.95 58.38 3g12 s SER 112 Cb -0.28 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.38 3g12 s SER 112 CO 0.34 -1.10 0.14 -0.63 0.41 0.00 0.00 173.24 172.40 3g12 s ILE 113 N 4.15 4.69 -0.10 1.44 -1.09 0.90 -2.68 121.20 128.51 3g12 s ILE 113 Ca 0.47 -0.26 -0.17 0.00 -2.23 0.00 0.00 60.65 58.46 3g12 s ILE 113 Cb -0.10 -3.32 -0.05 0.00 -1.58 0.00 0.00 42.46 37.42 3g12 s ILE 113 CO 0.25 0.16 0.45 -0.70 -1.23 0.00 0.00 174.94 173.87 3g12 s GLU 114 N 1.64 4.27 -0.04 2.79 2.12 0.33 -0.92 118.70 128.89 3g12 s GLU 114 Ca 0.05 0.42 0.06 0.00 0.36 0.00 0.00 54.97 55.87 3g12 s GLU 114 Cb -0.16 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.82 3g12 s GLU 114 CO 0.07 0.26 -0.23 -0.51 -0.54 0.00 0.00 175.26 174.30 3g12 s LEU 115 N 0.30 2.04 0.03 2.70 1.43 0.91 -0.44 118.68 125.65 3g12 s LEU 115 Ca 0.25 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 3g12 s LEU 115 Cb -0.15 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 3g12 s LEU 115 CO 0.10 0.24 -0.09 0.00 0.23 0.00 0.00 176.35 176.84