#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 1.07 -0.03 1.04 0.20 -1.26 -5.14 118.68 114.56 3g12 s LEU 3 Ca 0.00 -0.01 0.02 0.00 0.69 0.00 0.00 54.13 54.83 3g12 s LEU 3 Cb 0.00 -0.19 0.01 0.00 -0.43 0.00 0.00 46.19 45.59 3g12 s LEU 3 CO 0.00 -0.12 -0.06 -0.76 -0.29 0.00 0.00 176.35 175.12 3g12 s LEU 4 N 1.12 1.59 -0.31 -0.68 1.43 -1.26 -5.11 118.68 115.46 3g12 s LEU 4 Ca -0.08 -0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.59 3g12 s LEU 4 Cb -0.13 -0.44 0.02 0.00 0.03 0.00 0.00 46.19 45.66 3g12 s LEU 4 CO -0.02 0.00 1.08 -0.63 0.23 0.00 0.00 176.35 177.01 3g12 s ILE 5 N 0.51 4.52 -0.03 -0.59 1.01 -1.26 -4.91 121.20 120.44 3g12 s ILE 5 Ca -0.07 1.77 0.09 0.00 0.00 0.00 0.00 60.65 62.44 3g12 s ILE 5 Cb -0.11 -4.40 -0.13 0.00 0.01 0.00 0.00 42.46 37.84 3g12 s ILE 5 CO 0.00 -0.44 0.15 0.35 0.00 0.00 0.00 174.94 175.00 3g12 n THR 6 N 5.80 0.17 -3.72 2.92 -2.24 -1.26 -4.57 114.28 111.38 3g12 n THR 6 Ca 0.12 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 3g12 n THR 6 Cb 0.47 -0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.57 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 -3.33 -0.47 -0.15 3.42 1.04 -1.26 -0.22 113.70 112.73 3g12 s SER 7 Ca -0.04 0.90 -0.01 0.00 0.48 0.00 0.00 55.95 57.29 3g12 s SER 7 Cb 0.05 0.90 -0.01 0.00 0.10 0.00 0.00 66.02 67.06 3g12 s SER 7 CO 0.36 -0.16 -0.12 -0.63 0.98 0.00 0.00 173.24 173.67 3g12 s ILE 8 N 0.32 2.98 -0.06 -1.02 -1.09 -0.29 -4.93 121.20 117.11 3g12 s ILE 8 Ca -0.01 -0.67 0.03 0.00 -2.23 0.00 0.00 60.65 57.78 3g12 s ILE 8 Cb -0.03 -2.28 0.00 0.00 -1.58 0.00 0.00 42.46 38.57 3g12 s ILE 8 CO -0.00 0.50 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.15 3g12 s THR 9 N 0.70 1.45 -0.18 2.92 2.01 -1.26 -1.25 115.64 120.03 3g12 s THR 9 Ca -0.06 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.26 3g12 s THR 9 Cb -0.15 -1.28 0.02 0.00 0.01 0.00 0.00 72.50 71.10 3g12 s THR 9 CO 0.02 0.42 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.56 3g12 s ILE 10 N 0.36 1.94 -0.31 1.82 1.01 -0.41 -4.99 121.20 120.62 3g12 s ILE 10 Ca -0.12 -0.91 -0.24 0.00 0.00 0.00 0.00 60.65 59.38 3g12 s ILE 10 Cb -0.15 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.54 3g12 s ILE 10 CO 0.04 0.47 0.84 0.20 0.00 0.00 0.00 174.94 176.50 3g12 s ASN 11 N 1.33 6.71 0.06 3.58 0.01 -1.26 -1.31 114.94 124.06 3g12 s ASN 11 Ca 0.04 0.73 0.07 0.00 -0.71 0.00 0.00 52.86 52.99 3g12 s ASN 11 Cb -0.14 -2.43 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 3g12 s ASN 11 CO -0.12 -0.66 -0.19 0.28 -1.51 0.00 0.00 177.10 174.90 3g12 s THR 12 N 3.09 1.49 -2.25 1.60 -1.32 0.15 -4.89 115.64 113.51 3g12 s THR 12 Ca 0.35 -1.25 0.23 0.00 -1.21 0.00 0.00 61.69 59.81 3g12 s THR 12 Cb -0.14 -1.33 0.54 0.00 -1.51 0.00 0.00 72.50 70.06 3g12 s THR 12 CO 0.13 0.05 1.48 -1.54 -2.21 0.00 0.00 174.62 172.53 3g12 n SER 13 N 1.62 3.74 -2.80 8.08 3.41 -1.25 -0.36 113.62 126.05 3g12 n SER 13 Ca -0.18 -2.00 -0.24 0.00 -0.26 0.00 0.00 58.87 56.19 3g12 n SER 13 Cb 0.54 -0.37 -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 1.60 3.02 -0.14 7.33 8.25 -1.26 -4.88 115.22 129.14 3g12 n HIS 14 Ca 0.22 -3.57 -0.04 0.00 -0.26 0.00 0.00 57.72 54.07 3g12 n HIS 14 Cb 0.62 -0.34 0.04 0.00 1.12 0.00 0.00 29.99 31.43 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 2.86 -0.25 -0.14 2.41 6.46 -1.91 -0.96 115.31 123.78 3g12 h LEU 15 Ca 0.16 0.11 0.03 0.00 -0.12 0.00 0.00 57.88 58.06 3g12 h LEU 15 Cb 0.77 0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.88 3g12 h LEU 15 CO 0.75 -0.08 -0.03 1.56 -0.62 0.00 0.00 178.44 180.02 3g12 h GLN 16 N 0.08 0.01 -0.43 1.25 7.50 -1.97 0.04 115.11 121.57 3g12 h GLN 16 Ca 0.22 -0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.24 3g12 h GLN 16 Cb 0.33 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.84 3g12 h GLN 16 CO -0.39 0.00 -0.22 0.78 -1.50 0.00 0.00 178.83 177.50 3g12 h GLY 17 N 0.01 0.96 1.46 3.46 0.00 -1.82 -1.45 103.07 105.68 3g12 h GLY 17 Ca 0.07 -0.84 -0.15 0.00 0.00 0.00 0.00 47.33 46.41 3g12 h GLY 17 CO -0.14 0.76 -0.49 -0.33 0.00 0.00 0.00 176.54 176.34 3g12 h MET 18 N 0.76 0.58 -0.24 4.80 2.86 -1.03 -0.08 114.93 122.60 3g12 h MET 18 Ca 0.10 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 3g12 h MET 18 Cb 0.77 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 3g12 h MET 18 CO 0.06 0.94 0.10 -0.07 1.06 0.00 0.00 176.91 179.00 3g12 h LEU 19 N 0.46 0.33 -0.43 1.22 3.38 -0.90 -0.75 115.31 118.62 3g12 h LEU 19 Ca 0.02 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.86 3g12 h LEU 19 Cb 1.02 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 3g12 h LEU 19 CO 0.09 0.40 0.23 1.23 0.09 0.00 0.00 178.44 180.49 3g12 h GLY 20 N 0.23 0.60 0.95 0.83 0.00 -1.17 -1.40 103.07 103.11 3g12 h GLY 20 Ca 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3g12 h GLY 20 CO -0.01 0.13 -0.11 -2.75 0.00 0.00 0.00 176.54 173.81 3g12 h PHE 21 N 0.47 -0.28 0.00 5.60 3.57 -0.90 -2.96 116.94 122.44 3g12 h PHE 21 Ca 0.18 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3g12 h PHE 21 Cb 0.06 0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.89 3g12 h PHE 21 CO -0.09 -0.13 0.00 1.88 -2.23 0.00 0.00 178.31 177.74 3g12 h TYR 22 N -0.36 0.00 -0.28 0.41 0.05 -1.10 -2.63 116.97 113.07 3g12 h TYR 22 Ca -0.03 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.68 3g12 h TYR 22 Cb 0.27 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 3g12 h TYR 22 CO -0.05 0.00 -0.11 0.00 -1.05 0.00 0.00 178.16 176.96 3g12 h ARG 23 N 0.00 0.57 -0.73 4.88 3.08 -1.24 -0.75 114.38 120.19 3g12 h ARG 23 Ca 0.00 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 3g12 h ARG 23 Cb 0.76 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 3g12 h ARG 23 CO 0.00 0.79 0.38 0.82 -1.07 0.00 0.00 179.97 180.89 3g12 h ILE 24 N 0.31 1.22 -0.65 2.04 2.04 -1.33 -1.68 117.51 119.47 3g12 h ILE 24 Ca 0.07 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 3g12 h ILE 24 Cb 0.61 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 3g12 h ILE 24 CO 0.04 0.26 0.25 0.40 0.00 0.00 0.00 178.15 179.10 3g12 h ILE 25 N 1.03 1.23 0.00 -0.67 2.04 -1.46 -3.47 117.51 116.21 3g12 h ILE 25 Ca 0.26 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3g12 h ILE 25 Cb 0.06 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3g12 h ILE 25 CO -0.04 0.29 0.00 0.61 0.00 0.00 0.00 178.15 179.01 3g12 n GLY 26 N -0.98 -0.89 3.74 5.37 0.00 -0.63 -5.00 105.19 106.81 3g12 n GLY 26 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 3.87 -0.49 1.61 0.08 -0.33 -4.98 117.98 117.74 3g12 s PHE 27 Ca 0.00 1.84 -0.09 0.00 0.12 0.00 0.00 56.93 58.80 3g12 s PHE 27 Cb 0.00 -3.04 0.13 0.00 -0.57 0.00 0.00 43.02 39.54 3g12 s PHE 27 CO 0.00 0.27 0.36 -0.65 -0.10 0.00 0.00 175.22 175.10 3g12 s GLN 28 N -0.54 2.51 0.00 0.44 -0.21 -1.26 -4.13 119.66 116.46 3g12 s GLN 28 Ca 0.44 -1.85 -0.23 0.00 0.02 0.00 0.00 55.36 53.75 3g12 s GLN 28 Cb -0.25 -3.92 -0.05 0.00 1.00 0.00 0.00 33.01 29.79 3g12 s GLN 28 CO 0.31 -1.19 0.69 -0.06 -2.12 0.00 0.00 175.29 172.91 3g12 s PHE 29 N 1.21 3.68 -0.16 0.91 0.08 -1.26 -4.34 117.98 118.10 3g12 s PHE 29 Ca 0.07 1.32 -0.04 0.00 0.12 0.00 0.00 56.93 58.41 3g12 s PHE 29 Cb -0.25 -2.73 -0.03 0.00 -0.57 0.00 0.00 43.02 39.44 3g12 s PHE 29 CO -0.01 0.27 -0.04 0.99 -0.10 0.00 0.00 175.22 176.32 3g12 s THR 30 N 0.06 3.83 0.59 0.64 2.01 0.14 -4.87 115.64 118.03 3g12 s THR 30 Ca 0.35 -0.38 -0.15 0.00 0.31 0.00 0.00 61.69 61.83 3g12 s THR 30 Cb -0.19 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 3g12 s THR 30 CO 0.20 0.49 1.04 0.00 -0.69 0.00 0.00 174.62 175.65 3g12 s ALA 31 N 0.47 2.84 0.49 7.40 0.00 -1.26 -1.31 121.76 130.39 3g12 s ALA 31 Ca -0.04 0.27 -0.21 0.00 0.00 0.00 0.00 51.96 51.98 3g12 s ALA 31 Cb -0.14 -3.18 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 3g12 s ALA 31 CO 0.03 -0.70 1.09 -1.12 0.00 0.00 0.00 175.76 175.06 3g12 s SER 32 N -3.08 6.16 -0.03 0.00 0.01 -1.13 -4.95 113.70 110.69 3g12 s SER 32 Ca 0.61 2.09 -0.23 0.00 1.31 0.00 0.00 55.95 59.73 3g12 s SER 32 Cb -0.14 -2.58 -0.23 0.00 0.21 0.00 0.00 66.02 63.28 3g12 s SER 32 CO 0.39 -0.91 1.06 0.11 0.41 0.00 0.00 173.24 174.30 3g12 h LYS 33 N 1.65 0.24 -6.54 12.44 1.57 -1.96 -3.50 116.57 120.47 3g12 h LYS 33 Ca -0.49 -0.25 -0.68 0.00 -1.87 0.00 0.00 60.65 57.36 3g12 h LYS 33 Cb 1.24 0.07 -0.20 0.00 0.08 0.00 0.00 32.23 33.42 3g12 h LYS 33 CO 0.59 0.96 -0.78 0.08 -0.57 0.00 0.00 179.45 179.73 3g12 s VAL 34 N -3.21 3.03 0.00 0.50 1.01 -1.26 -5.26 120.40 115.21 3g12 s VAL 34 Ca -0.15 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.66 3g12 s VAL 34 Cb 0.02 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3g12 s VAL 34 CO 0.76 0.28 0.00 -1.20 0.00 0.00 0.00 175.10 174.95 3g12 n SER 38 N 1.33 0.00 -4.66 3.32 7.64 -1.26 -5.08 113.62 114.91 3g12 n SER 38 Ca -0.16 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.30 3g12 n SER 38 Cb 0.52 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 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 4.23 -0.04 1.43 2.12 -1.26 -4.91 118.70 120.27 3g12 s GLU 39 Ca 0.00 1.73 0.02 0.00 0.36 0.00 0.00 54.97 57.08 3g12 s GLU 39 Cb 0.00 -3.78 0.01 0.00 0.26 0.00 0.00 34.13 30.63 3g12 s GLU 39 CO 0.00 -0.71 -0.08 0.54 -0.54 0.00 0.00 175.26 174.48 3g12 s VAL 40 N 3.46 0.76 -0.08 3.70 0.11 -1.26 -1.19 120.40 125.90 3g12 s VAL 40 Ca 0.57 -0.29 0.04 0.00 -2.93 0.00 0.00 61.98 59.37 3g12 s VAL 40 Cb -0.23 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 3g12 s VAL 40 CO 0.17 0.26 -0.19 -1.00 -3.33 0.00 0.00 175.10 171.01 3g12 s HIS 41 N 0.58 2.07 -0.08 1.54 3.76 -0.80 -2.82 115.29 119.54 3g12 s HIS 41 Ca -0.09 -0.79 0.03 0.00 -0.15 0.00 0.00 55.06 54.06 3g12 s HIS 41 Cb -0.13 -1.41 0.01 0.00 1.11 0.00 0.00 32.58 32.16 3g12 s HIS 41 CO 0.01 -0.33 -0.18 1.03 -0.85 0.00 0.00 174.74 174.42 3g12 s ARG 42 N 0.39 2.33 0.06 1.40 0.52 -0.43 -0.93 118.95 122.29 3g12 s ARG 42 Ca -0.15 -0.65 0.08 0.00 -0.52 0.00 0.00 55.73 54.50 3g12 s ARG 42 Cb -0.16 -1.83 -0.03 0.00 0.52 0.00 0.00 34.95 33.44 3g12 s ARG 42 CO 0.06 0.12 -0.22 0.00 0.02 0.00 0.00 175.30 175.28 3g12 s ALA 43 N 0.47 2.47 -0.11 2.13 0.00 0.06 -0.68 121.76 126.10 3g12 s ALA 43 Ca -0.16 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.55 3g12 s ALA 43 Cb -0.17 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.37 3g12 s ALA 43 CO 0.06 0.56 -0.13 0.54 0.00 0.00 0.00 175.76 176.79 3g12 s VAL 44 N -0.93 1.34 -0.06 0.00 0.11 -1.26 0.91 120.40 120.51 3g12 s VAL 44 Ca 0.14 -0.54 -0.03 0.00 -2.93 0.00 0.00 61.98 58.63 3g12 s VAL 44 Cb -0.10 -1.25 0.04 0.00 -1.53 0.00 0.00 36.38 33.54 3g12 s VAL 44 CO 0.05 0.41 0.12 -2.28 -3.33 0.00 0.00 175.10 170.07 3g12 s HIS 45 N 1.12 -0.08 -1.49 1.54 5.04 0.26 -4.87 115.29 116.81 3g12 s HIS 45 Ca -0.05 0.45 -0.12 0.00 -1.54 0.00 0.00 55.06 53.81 3g12 s HIS 45 Cb -0.14 -0.32 0.07 0.00 0.04 0.00 0.00 32.58 32.23 3g12 s HIS 45 CO -0.03 -0.22 0.89 0.09 -2.34 0.00 0.00 174.74 173.13 3g12 n ASN 46 N 5.16 -4.97 0.00 9.88 3.02 -1.26 -1.99 115.26 125.10 3g12 n ASN 46 Ca -0.07 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 3g12 n ASN 46 Cb 0.50 -3.98 0.00 0.00 -0.61 0.00 0.00 39.78 35.69 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 -1.63 1.52 3.61 7.41 0.00 -1.26 -5.03 105.19 109.82 3g12 n GLY 47 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.91 4.59 -0.31 1.61 1.01 -0.84 -4.69 120.40 118.85 3g12 s VAL 48 Ca 0.00 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 3g12 s VAL 48 Cb 0.00 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 3g12 s VAL 48 CO 0.00 0.48 0.45 -0.70 0.00 0.00 0.00 175.10 175.33 3g12 s GLU 49 N 0.26 3.79 -0.41 2.72 2.12 0.70 -0.58 118.70 127.30 3g12 s GLU 49 Ca 0.02 -0.07 -0.14 0.00 0.36 0.00 0.00 54.97 55.14 3g12 s GLU 49 Cb -0.13 -3.74 0.03 0.00 0.26 0.00 0.00 34.13 30.55 3g12 s GLU 49 CO 0.01 -0.48 0.29 0.12 -0.54 0.00 0.00 175.26 174.66 3g12 s PHE 50 N 2.24 3.25 0.01 5.30 5.36 0.26 -1.14 117.98 133.25 3g12 s PHE 50 Ca 0.17 -0.77 0.04 0.00 -0.96 0.00 0.00 56.93 55.41 3g12 s PHE 50 Cb -0.16 -2.64 -0.03 0.00 -0.34 0.00 0.00 43.02 39.85 3g12 s PHE 50 CO 0.11 -0.64 -0.09 -1.12 -1.46 0.00 0.00 175.22 172.02 3g12 s SER 51 N 1.78 4.43 -0.16 6.13 0.01 -0.38 -0.76 113.70 124.74 3g12 s SER 51 Ca 0.04 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.11 3g12 s SER 51 Cb -0.20 -0.98 0.01 0.00 0.21 0.00 0.00 66.02 65.07 3g12 s SER 51 CO 0.08 0.28 -0.18 -0.76 0.41 0.00 0.00 173.24 173.07 3g12 s LEU 52 N -1.37 2.26 -0.09 2.44 1.02 -0.11 -1.28 118.68 121.55 3g12 s LEU 52 Ca 0.16 -0.57 -0.01 0.00 0.02 0.00 0.00 54.13 53.73 3g12 s LEU 52 Cb -0.11 -1.51 -0.03 0.00 0.02 0.00 0.00 46.19 44.56 3g12 s LEU 52 CO 0.07 0.05 -0.04 -0.31 0.02 0.00 0.00 176.35 176.14 3g12 s TYR 53 N 1.02 3.03 -0.21 0.29 2.02 -0.43 -1.90 117.35 121.18 3g12 s TYR 53 Ca -0.02 0.04 -0.25 0.00 -0.37 0.00 0.00 57.07 56.47 3g12 s TYR 53 Cb -0.15 -1.78 -0.01 0.00 -0.40 0.00 0.00 41.96 39.63 3g12 s TYR 53 CO -0.05 0.33 0.85 0.45 -1.57 0.00 0.00 175.55 175.55 3g12 s SER 54 N -0.65 6.91 0.33 2.29 0.15 -0.33 0.33 113.70 122.73 3g12 s SER 54 Ca 0.10 1.13 0.05 0.00 0.70 0.00 0.00 55.95 57.93 3g12 s SER 54 Cb -0.12 -2.45 -0.07 0.00 -1.71 0.00 0.00 66.02 61.68 3g12 s SER 54 CO 0.02 -0.47 0.01 0.27 1.20 0.00 0.00 173.24 174.27 3g12 s ILE 55 N 2.53 1.51 0.50 6.45 -4.36 0.51 -4.40 121.20 123.94 3g12 s ILE 55 Ca 0.37 -2.04 -0.10 0.00 -0.26 0.00 0.00 60.65 58.62 3g12 s ILE 55 Cb -0.16 -2.73 -0.05 0.00 1.25 0.00 0.00 42.46 40.77 3g12 s ILE 55 CO 0.10 -0.09 0.89 -1.10 0.24 0.00 0.00 174.94 174.97 3g12 s GLN 56 N -3.80 3.70 -0.18 0.37 -1.52 -1.26 -3.95 119.66 113.02 3g12 s GLN 56 Ca 0.34 0.57 -0.34 0.00 -1.95 0.00 0.00 55.36 53.98 3g12 s GLN 56 Cb 0.07 -2.25 -0.11 0.00 -0.22 0.00 0.00 33.01 30.50 3g12 s GLN 56 CO 0.15 -0.27 1.99 0.09 -0.25 0.00 0.00 175.29 177.00 3g12 n ASN 57 N -2.00 3.07 0.00 5.90 4.13 -1.26 -4.81 115.26 120.29 3g12 n ASN 57 Ca 0.04 0.75 0.05 0.00 1.68 0.00 0.00 54.58 57.09 3g12 n ASN 57 Cb 0.54 -1.36 0.26 0.00 -1.54 0.00 0.00 39.78 37.69 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 7.23 0.14 0.00 3.52 -0.02 -1.26 -4.85 135.00 139.76 3g12 n PRO 58 Ca 0.28 0.20 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 -1.30 0.00 -3.60 -0.52 6.02 -1.26 -4.78 117.38 111.94 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 -2.93 -0.13 0.00 1.02 0.00 0.00 30.24 28.28 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 0.00 0.86 -0.06 -1.09 0.52 -1.26 -5.12 118.95 112.80 3g12 s ARG 60 Ca 0.00 -1.54 -0.30 0.00 -0.52 0.00 0.00 55.73 53.37 3g12 s ARG 60 Cb 0.00 -1.80 -0.03 0.00 0.52 0.00 0.00 34.95 33.63 3g12 s ARG 60 CO 0.00 -1.15 1.22 -1.12 0.02 0.00 0.00 175.30 174.27 3g12 s SER 61 N 0.89 7.03 0.06 0.23 0.01 -1.26 -5.03 113.70 115.63 3g12 s SER 61 Ca 0.16 1.83 0.04 0.00 1.31 0.00 0.00 55.95 59.29 3g12 s SER 61 Cb -0.23 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.41 3g12 s SER 61 CO -0.04 -0.61 0.01 -1.58 0.41 0.00 0.00 173.24 171.43 3g12 s GLN 62 N 2.32 2.66 -0.08 12.44 2.00 -1.26 -5.09 119.66 132.65 3g12 s GLN 62 Ca 0.56 -0.75 -0.30 0.00 -2.00 0.00 0.00 55.36 52.88 3g12 s GLN 62 Cb -0.25 -2.60 -0.04 0.00 0.80 0.00 0.00 33.01 30.92 3g12 s GLN 62 CO 0.22 0.57 1.38 0.96 -0.50 0.00 0.00 175.29 177.92 3g12 s ILE 63 N -1.25 3.95 0.67 -2.34 -4.36 -1.26 -5.01 121.20 111.60 3g12 s ILE 63 Ca 0.24 1.23 -0.15 0.00 -0.26 0.00 0.00 60.65 61.72 3g12 s ILE 63 Cb -0.12 -3.79 0.01 0.00 1.25 0.00 0.00 42.46 39.80 3g12 s ILE 63 CO 0.16 -0.06 1.11 -2.84 0.24 0.00 0.00 174.94 173.55 3g12 s PRO 64 N 3.10 2.74 0.07 0.37 0.02 -1.26 -4.97 135.00 135.07 3g12 s PRO 64 Ca 0.62 1.39 0.26 0.00 0.02 0.00 0.00 61.00 63.28 3g12 s PRO 64 Cb -0.28 -1.94 0.67 0.00 0.02 0.00 0.00 34.50 32.97 3g12 s PRO 64 CO 0.22 -1.30 1.56 0.43 -0.33 0.00 0.00 177.00 177.58 3g12 n SER 65 N -2.51 0.51 -4.75 2.53 7.64 -1.26 -4.89 113.62 110.89 3g12 n SER 65 Ca 0.10 0.17 -0.39 0.00 1.01 0.00 0.00 58.87 59.77 3g12 n SER 65 Cb 0.52 -0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 63.54 3g12 n SER 65 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3g12 s LEU 66 N -3.65 4.38 0.02 -3.43 2.96 -1.26 -5.08 118.68 112.62 3g12 s LEU 66 Ca 0.10 1.12 0.07 0.00 -0.22 0.00 0.00 54.13 55.20 3g12 s LEU 66 Cb 0.16 -2.92 -0.02 0.00 0.50 0.00 0.00 46.19 43.90 3g12 s LEU 66 CO 0.65 0.05 -0.21 -1.10 -1.32 0.00 0.00 176.35 174.42 3g12 s GLN 67 N 0.07 1.56 0.25 1.98 -0.21 -1.26 -4.16 119.66 117.89 3g12 s GLN 67 Ca 0.31 -0.88 0.12 0.00 0.02 0.00 0.00 55.36 54.93 3g12 s GLN 67 Cb -0.18 -1.61 -0.05 0.00 1.00 0.00 0.00 33.01 32.17 3g12 s GLN 67 CO 0.16 0.43 -0.21 -0.51 -2.12 0.00 0.00 175.29 173.04 3g12 s LEU 68 N -0.91 2.55 -0.03 2.90 1.43 -1.12 -5.03 118.68 118.48 3g12 s LEU 68 Ca 0.08 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.24 3g12 s LEU 68 Cb -0.09 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 45.00 3g12 s LEU 68 CO 0.01 0.07 -0.05 -0.83 0.23 0.00 0.00 176.35 175.78 3g12 s GLY 69 N -3.20 0.36 0.02 -3.19 0.00 -1.26 -0.63 107.32 99.43 3g12 s GLY 69 Ca 0.27 -0.11 0.04 0.00 0.00 0.00 0.00 44.72 44.92 3g12 s GLY 69 CO 0.13 0.18 -0.13 -1.36 0.00 0.00 0.00 173.10 171.92 3g12 s PHE 70 N 0.48 1.14 -0.24 1.90 0.08 0.06 -4.96 117.98 116.43 3g12 s PHE 70 Ca -0.06 -0.30 -0.10 0.00 0.12 0.00 0.00 56.93 56.59 3g12 s PHE 70 Cb -0.09 -0.69 -0.05 0.00 -0.57 0.00 0.00 43.02 41.61 3g12 s PHE 70 CO -0.00 0.01 0.14 -0.65 -0.10 0.00 0.00 175.22 174.62 3g12 s GLN 71 N -0.84 3.97 0.24 0.44 -0.21 -1.26 -0.90 119.66 121.10 3g12 s GLN 71 Ca 0.02 -0.32 0.02 0.00 0.02 0.00 0.00 55.36 55.11 3g12 s GLN 71 Cb -0.07 -3.49 -0.05 0.00 1.00 0.00 0.00 33.01 30.41 3g12 s GLN 71 CO 0.01 0.01 0.03 0.96 -2.12 0.00 0.00 175.29 174.18 3g12 s ILE 72 N 1.18 0.83 0.13 1.08 -4.36 0.27 -4.96 121.20 115.38 3g12 s ILE 72 Ca 0.07 -2.01 0.03 0.00 -0.26 0.00 0.00 60.65 58.48 3g12 s ILE 72 Cb -0.14 -2.43 -0.04 0.00 1.25 0.00 0.00 42.46 41.11 3g12 s ILE 72 CO 0.05 -0.23 0.20 0.42 0.24 0.00 0.00 174.94 175.62 3g12 s THR 73 N -3.56 4.94 -1.05 8.37 -4.23 -1.26 -4.18 115.64 114.67 3g12 s THR 73 Ca 0.31 -0.79 -0.10 0.00 -1.18 0.00 0.00 61.69 59.93 3g12 s THR 73 Cb 0.07 -3.50 -0.05 0.00 1.34 0.00 0.00 72.50 70.36 3g12 s THR 73 CO 0.10 -0.04 0.86 0.47 -0.54 0.00 0.00 174.62 175.47 3g12 n ASP 74 N -0.24 -6.36 -0.06 3.99 10.43 -1.26 -4.81 116.55 118.24 3g12 n ASP 74 Ca -0.07 -0.75 -0.07 0.00 2.57 0.00 0.00 54.79 56.46 3g12 n ASP 74 Cb 0.54 -4.66 -0.01 0.00 1.84 0.00 0.00 41.12 38.82 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 -1.17 -0.33 -0.67 0.64 5.85 -1.94 0.32 115.31 118.01 3g12 h LEU 75 Ca -0.58 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.14 3g12 h LEU 75 Cb 1.30 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.50 3g12 h LEU 75 CO 0.44 -0.13 0.01 -0.33 -0.34 0.00 0.00 178.44 178.09 3g12 h GLU 76 N -0.06 1.04 -0.33 1.25 5.08 -1.99 -1.38 114.58 118.18 3g12 h GLU 76 Ca 0.13 -0.32 -0.14 0.00 -1.00 0.00 0.00 59.36 58.02 3g12 h GLU 76 Cb 0.25 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3g12 h GLU 76 CO -0.29 1.01 -0.37 0.87 -1.00 0.00 0.00 179.01 179.23 3g12 h LYS 77 N 0.95 0.77 -0.16 2.33 1.79 -1.89 -2.33 116.57 118.03 3g12 h LYS 77 Ca 0.17 -0.39 -0.01 0.00 -2.18 0.00 0.00 60.65 58.24 3g12 h LYS 77 Cb 0.54 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 3g12 h LYS 77 CO 0.03 1.01 0.05 1.15 -1.08 0.00 0.00 179.45 180.62 3g12 h THR 78 N 0.64 1.18 -0.91 -0.16 2.02 -0.70 -2.75 112.91 112.23 3g12 h THR 78 Ca 0.06 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3g12 h THR 78 Cb 0.92 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 68.52 3g12 h THR 78 CO 0.08 0.17 0.57 0.58 0.37 0.00 0.00 175.52 177.29 3g12 h VAL 79 N 0.09 1.24 -0.81 3.16 2.07 -1.24 -0.96 116.25 119.81 3g12 h VAL 79 Ca 0.05 -0.50 0.08 0.00 0.82 0.00 0.00 66.70 67.15 3g12 h VAL 79 Cb 0.22 -0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 29.86 3g12 h VAL 79 CO -0.00 0.25 0.47 1.56 0.02 0.00 0.00 177.57 179.87 3g12 h GLN 80 N 1.24 0.81 -0.01 1.57 4.20 -1.30 -2.43 115.11 119.19 3g12 h GLN 80 Ca 0.33 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.81 3g12 h GLN 80 Cb -0.09 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 3g12 h GLN 80 CO -0.07 0.54 -0.81 0.93 -0.67 0.00 0.00 178.83 178.75 3g12 h GLU 81 N 0.84 0.20 -0.17 1.46 5.08 -1.08 -3.33 114.58 117.57 3g12 h GLU 81 Ca 0.37 -0.20 -0.13 0.00 -1.00 0.00 0.00 59.36 58.40 3g12 h GLU 81 Cb 0.26 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3g12 h GLU 81 CO -0.21 0.90 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.17 3g12 h LEU 82 N 0.12 0.47 0.00 1.33 3.38 -0.74 -2.59 115.31 117.28 3g12 h LEU 82 Ca -0.03 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3g12 h LEU 82 Cb 1.41 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3g12 h LEU 82 CO 0.12 0.86 0.00 0.52 0.09 0.00 0.00 178.44 180.03 3g12 n VAL 83 N -3.99 0.23 1.53 1.22 0.31 -1.00 -2.05 118.33 114.58 3g12 n VAL 83 Ca -0.02 0.06 0.14 0.00 -0.01 0.00 0.00 64.34 64.51 3g12 n VAL 83 Cb 0.54 -0.65 0.61 0.00 -0.91 0.00 0.00 33.84 33.43 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 -1.30 1.10 -3.32 5.55 5.02 -0.98 -4.81 118.16 119.42 3g12 n LYS 84 Ca 0.11 -0.47 -0.38 0.00 -2.02 0.00 0.00 58.31 55.55 3g12 n LYS 84 Cb 0.20 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 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 -2.23 5.18 0.16 -0.18 -1.09 -0.87 -5.04 121.20 117.14 3g12 s ILE 85 Ca 0.35 0.90 -0.34 0.00 -2.23 0.00 0.00 60.65 59.34 3g12 s ILE 85 Cb 0.21 -3.80 -0.14 0.00 -1.58 0.00 0.00 42.46 37.15 3g12 s ILE 85 CO 0.41 0.30 1.58 -2.65 -1.23 0.00 0.00 174.94 173.35 3g12 n PRO 86 N 3.94 2.17 0.00 2.79 -0.02 -1.26 -2.17 135.00 140.45 3g12 n PRO 86 Ca -0.07 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3g12 n PRO 86 Cb 0.51 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 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 3.40 3.32 3.78 -1.23 0.00 -1.26 -4.63 105.19 108.56 3g12 n GLY 87 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.52 3.46 -0.05 4.61 0.00 -0.92 -4.33 121.76 122.01 3g12 s ALA 88 Ca 0.00 0.31 -0.14 0.00 0.00 0.00 0.00 51.96 52.13 3g12 s ALA 88 Cb 0.00 -2.92 0.03 0.00 0.00 0.00 0.00 23.12 20.23 3g12 s ALA 88 CO 0.00 0.29 0.32 0.00 0.00 0.00 0.00 175.76 176.37 3g12 s MET 89 N -1.04 0.59 -0.17 0.00 0.23 -1.15 -4.76 119.30 113.01 3g12 s MET 89 Ca 0.35 0.02 -0.24 0.00 -1.03 0.00 0.00 55.69 54.78 3g12 s MET 89 Cb -0.22 0.27 -0.02 0.00 -1.53 0.00 0.00 34.83 33.33 3g12 s MET 89 CO 0.25 -0.14 0.80 0.00 -2.03 0.00 0.00 175.02 173.89 3g12 n ILE 91 N 4.70 1.44 -4.01 0.00 -5.35 -0.34 -4.83 119.36 110.97 3g12 n ILE 91 Ca 0.03 -0.59 -0.34 0.00 -0.27 0.00 0.00 62.75 61.59 3g12 n ILE 91 Cb 0.49 -1.29 -0.15 0.00 -1.74 0.00 0.00 39.64 36.95 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 -6.37 2.84 0.65 7.28 2.96 -0.62 -4.98 118.68 120.45 3g12 s LEU 92 Ca -0.31 -0.76 -0.17 0.00 -0.22 0.00 0.00 54.13 52.66 3g12 s LEU 92 Cb 0.08 -1.61 -0.00 0.00 0.50 0.00 0.00 46.19 45.16 3g12 s LEU 92 CO 0.61 -0.08 1.23 -1.81 -1.32 0.00 0.00 176.35 174.98 3g12 s ASP 93 N 1.32 4.71 -0.22 3.68 1.01 -1.26 -1.41 116.67 124.51 3g12 s ASP 93 Ca 0.02 2.43 -0.41 0.00 0.71 0.00 0.00 52.55 55.30 3g12 s ASP 93 Cb -0.15 -2.60 -0.17 0.00 1.01 0.00 0.00 42.92 41.00 3g12 s ASP 93 CO -0.07 -1.92 1.55 -2.65 0.21 0.00 0.00 175.17 172.29 3g12 n PRO 94 N -2.05 0.76 -3.83 8.23 -0.02 -1.25 -4.62 135.00 132.21 3g12 n PRO 94 Ca 0.14 0.28 -0.13 0.00 -2.02 0.00 0.00 63.50 61.77 3g12 n PRO 94 Cb 0.49 -1.89 -0.14 0.00 -0.02 0.00 0.00 33.50 31.95 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 2.36 -0.01 -0.10 3.45 2.01 -0.12 -4.95 115.64 118.28 3g12 s THR 95 Ca 0.96 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.71 3g12 s THR 95 Cb -1.17 -0.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 3g12 s THR 95 CO 0.64 0.02 1.34 -1.81 -0.69 0.00 0.00 174.62 174.12 3g12 s ASP 96 N 0.26 6.90 0.17 3.53 1.01 -1.26 -0.81 116.67 126.48 3g12 s ASP 96 Ca -0.02 1.87 0.02 0.00 0.71 0.00 0.00 52.55 55.13 3g12 s ASP 96 Cb -0.03 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 3g12 s ASP 96 CO -0.01 -0.75 0.00 -0.04 0.21 0.00 0.00 175.17 174.58 3g12 s MET 97 N 3.19 1.12 -1.12 8.23 -1.94 -1.26 -4.97 119.30 122.55 3g12 s MET 97 Ca 0.60 -1.54 -0.22 0.00 -1.71 0.00 0.00 55.69 52.82 3g12 s MET 97 Cb -0.26 -0.28 -0.09 0.00 2.01 0.00 0.00 34.83 36.21 3g12 s MET 97 CO 0.20 -0.13 1.92 -2.30 -0.01 0.00 0.00 175.02 174.70 3g12 n PRO 98 N -0.25 1.77 0.00 2.03 -0.02 -1.26 -4.41 135.00 132.86 3g12 n PRO 98 Ca -0.06 -2.43 0.00 0.00 -2.02 0.00 0.00 63.50 58.99 3g12 n PRO 98 Cb 0.63 -3.53 0.00 0.00 -0.02 0.00 0.00 33.50 30.58 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 5.45 0.42 3.73 -1.23 0.00 -1.26 -5.08 105.19 107.21 3g12 n GLY 100 Ca 0.46 -0.68 -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 -0.42 4.39 0.03 1.61 2.20 -1.23 -4.73 119.74 121.58 3g12 s LYS 101 Ca 0.00 2.04 0.03 0.00 -0.36 0.00 0.00 55.97 57.68 3g12 s LYS 101 Cb 0.00 -3.21 -0.02 0.00 -1.51 0.00 0.00 37.83 33.09 3g12 s LYS 101 CO 0.00 -0.27 -0.10 0.21 -0.36 0.00 0.00 175.35 174.83 3g12 s LYS 102 N 0.10 0.66 0.01 4.03 2.20 0.01 -1.83 119.74 124.92 3g12 s LYS 102 Ca 0.58 -0.66 -0.07 0.00 -0.36 0.00 0.00 55.97 55.46 3g12 s LYS 102 Cb -0.36 -0.56 -0.00 0.00 -1.51 0.00 0.00 37.83 35.40 3g12 s LYS 102 CO 0.37 0.13 0.12 0.00 -0.36 0.00 0.00 175.35 175.61 3g12 s ALA 103 N -0.96 -0.28 -0.14 3.13 0.00 -0.28 -0.94 121.76 122.28 3g12 s ALA 103 Ca -0.03 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 51.76 3g12 s ALA 103 Cb -0.08 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.18 3g12 s ALA 103 CO 0.01 -0.21 -0.20 0.42 0.00 0.00 0.00 175.76 175.77 3g12 s ILE 104 N -1.44 1.97 0.08 0.00 1.01 -0.50 -0.16 121.20 122.15 3g12 s ILE 104 Ca -0.15 -0.91 0.07 0.00 0.00 0.00 0.00 60.65 59.66 3g12 s ILE 104 Cb -0.08 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 3g12 s ILE 104 CO 0.01 0.53 -0.18 0.54 0.00 0.00 0.00 174.94 175.84 3g12 s VAL 105 N 0.94 1.43 -0.16 2.92 0.11 -0.26 -1.20 120.40 124.18 3g12 s VAL 105 Ca -0.05 -1.39 -0.11 0.00 -2.93 0.00 0.00 61.98 57.51 3g12 s VAL 105 Cb -0.15 -1.32 -0.05 0.00 -1.53 0.00 0.00 36.38 33.33 3g12 s VAL 105 CO -0.04 -0.10 0.19 -0.22 -3.33 0.00 0.00 175.10 171.60 3g12 s LEU 106 N -1.73 4.27 0.55 2.54 2.96 0.17 -0.25 118.68 127.19 3g12 s LEU 106 Ca 0.03 0.39 -0.06 0.00 -0.22 0.00 0.00 54.13 54.27 3g12 s LEU 106 Cb -0.10 -2.19 -0.01 0.00 0.50 0.00 0.00 46.19 44.39 3g12 s LEU 106 CO 0.03 0.21 0.86 1.51 -1.32 0.00 0.00 176.35 177.64 3g12 s ASP 107 N 0.03 5.89 0.62 3.68 3.84 -0.67 -2.93 116.67 127.14 3g12 s ASP 107 Ca 0.13 0.83 0.25 0.00 -0.00 0.00 0.00 52.55 53.76 3g12 s ASP 107 Cb -0.12 -1.96 1.17 0.00 -1.38 0.00 0.00 42.92 40.63 3g12 s ASP 107 CO 0.02 -0.86 1.63 -0.65 -0.00 0.00 0.00 175.17 175.30 3g12 h PRO 108 N -0.02 0.00 0.00 2.11 0.11 -1.82 0.33 132.00 132.71 3g12 h PRO 108 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3g12 h PRO 108 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3g12 h PRO 108 CO 0.61 0.00 -0.38 -0.25 -0.21 0.00 0.00 178.00 177.77 3g12 n ASP 109 N -3.26 0.47 0.00 -2.05 9.92 -1.26 -4.93 116.55 115.44 3g12 n ASP 109 Ca 0.09 0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 3g12 n ASP 109 Cb 0.88 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 41.33 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 1.44 0.76 3.76 0.44 0.00 0.12 -4.65 105.19 107.05 3g12 n GLY 110 Ca 0.05 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 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 3.74 -0.34 1.61 3.76 -1.26 -4.50 115.29 116.30 3g12 s HIS 111 Ca 0.00 1.79 -0.23 0.00 -0.15 0.00 0.00 55.06 56.47 3g12 s HIS 111 Cb 0.00 -3.14 0.01 0.00 1.11 0.00 0.00 32.58 30.56 3g12 s HIS 111 CO 0.00 -0.10 0.80 -1.12 -0.85 0.00 0.00 174.74 173.46 3g12 s SER 112 N -1.07 6.61 -0.25 1.40 0.01 -1.26 -1.66 113.70 117.47 3g12 s SER 112 Ca 0.44 0.50 -0.08 0.00 1.31 0.00 0.00 55.95 58.12 3g12 s SER 112 Cb -0.28 -2.41 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 3g12 s SER 112 CO 0.36 -0.70 0.09 -0.63 0.41 0.00 0.00 173.24 172.77 3g12 s ILE 113 N 3.08 4.45 -0.05 1.44 -1.09 0.66 -2.79 121.20 126.90 3g12 s ILE 113 Ca 0.32 -0.12 -0.16 0.00 -2.23 0.00 0.00 60.65 58.46 3g12 s ILE 113 Cb -0.13 -3.09 -0.05 0.00 -1.58 0.00 0.00 42.46 37.60 3g12 s ILE 113 CO 0.15 0.33 0.43 -0.70 -1.23 0.00 0.00 174.94 173.92 3g12 s GLU 114 N 1.64 4.09 -0.06 2.79 2.12 0.20 -1.10 118.70 128.38 3g12 s GLU 114 Ca 0.06 0.41 0.04 0.00 0.36 0.00 0.00 54.97 55.85 3g12 s GLU 114 Cb -0.15 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.93 3g12 s GLU 114 CO 0.05 0.48 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.57 3g12 s LEU 115 N -0.42 1.88 0.10 2.70 1.43 0.77 -0.76 118.68 124.38 3g12 s LEU 115 Ca 0.24 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 53.02 3g12 s LEU 115 Cb -0.16 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.99 3g12 s LEU 115 CO 0.12 0.13 -0.17 0.00 0.23 0.00 0.00 176.35 176.66 3g12 s GLU 117 N -2.03 2.42 0.00 0.00 2.12 -0.76 -0.56 118.70 119.88 3g12 s GLU 117 Ca 0.04 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.60 3g12 s GLU 117 Cb -0.09 -1.97 0.00 0.00 0.26 0.00 0.00 34.13 32.33 3g12 s GLU 117 CO 0.03 0.25 0.04 1.28 -0.54 0.00 0.00 175.26 176.32