#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g81 s VAL 17 N 0.00 4.99 -0.01 1.39 1.01 0.13 -3.94 120.40 123.97 2g81 s VAL 17 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2g81 s VAL 17 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.15 2g81 s VAL 17 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2g81 n GLY 18 N 3.22 0.44 0.00 4.51 0.00 -1.23 -1.10 105.19 111.03 2g81 n GLY 18 Ca -0.17 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2g81 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g81 n GLY 19 N -2.97 1.48 3.11 -0.02 0.00 -1.26 -4.86 105.19 100.67 2g81 n GLY 19 Ca -0.00 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 43.95 2g81 n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2g81 s TYR 20 N 1.62 0.64 -0.05 1.61 -0.85 0.51 -4.91 117.35 115.92 2g81 s TYR 20 Ca 0.00 -0.93 -0.30 0.00 -0.52 0.00 0.00 57.07 55.33 2g81 s TYR 20 Cb 0.00 -0.42 -0.06 0.00 0.38 0.00 0.00 41.96 41.86 2g81 s TYR 20 CO 0.00 -0.26 1.82 0.99 -1.52 0.00 0.00 175.55 176.58 2g81 s THR 21 N -3.42 3.33 0.17 -3.49 2.01 -1.26 -0.19 115.64 112.78 2g81 s THR 21 Ca 0.06 0.39 -0.14 0.00 0.31 0.00 0.00 61.69 62.30 2g81 s THR 21 Cb 0.04 -3.28 0.05 0.00 0.01 0.00 0.00 72.50 69.33 2g81 s THR 21 CO -0.07 -0.06 1.80 0.00 -0.69 0.00 0.00 174.62 175.61 2g81 n GLY 23 N -1.23 2.77 3.68 0.00 0.00 -1.26 -4.82 105.19 104.32 2g81 n GLY 23 Ca 0.03 -1.52 -0.48 0.00 0.00 0.00 0.00 46.02 44.05 2g81 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g81 n ALA 24 N 1.17 0.90 -1.81 4.61 0.00 -1.26 -1.94 120.51 122.17 2g81 n ALA 24 Ca 0.00 0.35 -0.20 0.00 0.00 0.00 0.00 53.44 53.60 2g81 n ALA 24 Cb 0.00 -2.42 -0.06 0.00 0.00 0.00 0.00 19.45 16.97 2g81 n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2g81 n ASN 25 N 5.33 -5.46 0.01 0.00 3.02 -1.26 -4.84 115.26 112.05 2g81 n ASN 25 Ca 0.21 0.34 0.14 0.00 -0.03 0.00 0.00 54.58 55.23 2g81 n ASN 25 Cb 0.28 -4.64 0.59 0.00 -0.61 0.00 0.00 39.78 35.40 2g81 n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2g81 n THR 26 N -2.90 0.06 -3.50 3.41 -2.24 -0.82 -3.87 114.28 104.42 2g81 n THR 26 Ca -0.21 -0.03 -0.27 0.00 -2.27 0.00 0.00 64.05 61.28 2g81 n THR 26 Cb 0.66 -0.49 -0.09 0.00 -2.10 0.00 0.00 70.33 68.31 2g81 n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2g81 n VAL 27 N -1.57 1.46 0.55 2.28 0.31 -1.26 -4.97 118.33 115.13 2g81 n VAL 27 Ca 0.07 -4.82 0.07 0.00 -0.01 0.00 0.00 64.34 59.65 2g81 n VAL 27 Cb 0.35 -2.07 0.33 0.00 -0.91 0.00 0.00 33.84 31.54 2g81 n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2g81 n PRO 28 N 1.34 0.03 0.00 5.55 -0.04 -1.25 -1.25 135.00 139.38 2g81 n PRO 28 Ca 0.26 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 64.06 2g81 n PRO 28 Cb 0.42 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.54 2g81 n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2g81 n TYR 29 N -1.47 0.00 -2.45 0.54 0.18 -1.10 -1.86 117.16 111.00 2g81 n TYR 29 Ca 0.04 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.40 2g81 n TYR 29 Cb 0.17 -0.13 -0.03 0.00 -0.38 0.00 0.00 39.34 38.97 2g81 n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 2g81 s GLN 30 N -2.84 4.40 0.27 -3.48 2.00 -0.38 -0.23 119.66 119.39 2g81 s GLN 30 Ca 0.14 1.71 0.11 0.00 -2.00 0.00 0.00 55.36 55.32 2g81 s GLN 30 Cb 0.18 -3.46 -0.05 0.00 0.80 0.00 0.00 33.01 30.47 2g81 s GLN 30 CO 0.69 -0.35 -0.17 0.14 -0.50 0.00 0.00 175.29 175.11 2g81 s VAL 31 N 1.66 2.66 -0.15 1.34 -7.23 -0.28 -4.47 120.40 113.93 2g81 s VAL 31 Ca 0.57 -2.29 -0.05 0.00 -1.81 0.00 0.00 61.98 58.40 2g81 s VAL 31 Cb -0.27 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 2g81 s VAL 31 CO 0.26 -0.37 0.03 -0.55 -0.31 0.00 0.00 175.10 174.15 2g81 s SER 32 N -3.48 5.40 -0.22 4.85 0.15 -0.28 -2.03 113.70 118.09 2g81 s SER 32 Ca 0.30 0.06 -0.15 0.00 0.70 0.00 0.00 55.95 56.86 2g81 s SER 32 Cb -0.05 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.38 2g81 s SER 32 CO 0.16 0.22 0.36 -0.76 1.20 0.00 0.00 173.24 174.42 2g81 s LEU 33 N 0.07 4.13 -0.12 3.45 1.43 0.22 -0.38 118.68 127.47 2g81 s LEU 33 Ca 0.04 0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 2g81 s LEU 33 Cb -0.13 -2.44 0.02 0.00 0.03 0.00 0.00 46.19 43.67 2g81 s LEU 33 CO 0.01 -0.08 -0.12 0.21 0.23 0.00 0.00 176.35 176.60 2g81 s ASN 34 N 1.14 2.36 -0.36 2.29 2.47 0.20 -1.67 114.94 121.38 2g81 s ASN 34 Ca 0.17 -0.39 0.01 0.00 0.42 0.00 0.00 52.86 53.06 2g81 s ASN 34 Cb -0.15 -1.01 0.14 0.00 -1.45 0.00 0.00 41.25 38.78 2g81 s ASN 34 CO 0.08 -0.04 0.27 -0.55 -3.72 0.00 0.00 177.10 173.13 2g81 s SER 37 N 1.32 2.32 0.00 -4.21 0.15 -1.26 -0.25 113.70 111.76 2g81 s SER 37 Ca -0.01 -1.95 0.00 0.00 0.70 0.00 0.00 55.95 54.69 2g81 s SER 37 Cb -0.14 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2g81 s SER 37 CO -0.06 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.70 2g81 n GLY 38 N 4.14 1.89 3.31 9.45 0.00 -1.26 -4.82 105.19 117.90 2g81 n GLY 38 Ca 0.11 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 2g81 n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2g81 s TYR 39 N 0.00 0.96 0.00 1.61 1.13 -1.26 -5.11 117.35 114.68 2g81 s TYR 39 Ca 0.00 -1.21 -0.30 0.00 -1.41 0.00 0.00 57.07 54.15 2g81 s TYR 39 Cb 0.00 -0.36 -0.06 0.00 -1.10 0.00 0.00 41.96 40.45 2g81 s TYR 39 CO 0.00 -0.75 1.41 -1.58 -2.51 0.00 0.00 175.55 172.12 2g81 s HIS 40 N -4.08 2.84 0.00 -3.49 5.65 -1.26 -4.27 115.29 110.67 2g81 s HIS 40 Ca 0.35 0.80 0.00 0.00 0.25 0.00 0.00 55.06 56.45 2g81 s HIS 40 Cb 0.05 -3.68 0.00 0.00 -1.18 0.00 0.00 32.58 27.77 2g81 s HIS 40 CO 0.12 -2.51 0.00 1.97 -0.65 0.00 0.00 174.74 173.66 2g81 n PHE 41 N 5.36 0.00 -3.55 3.88 1.16 -0.67 -4.99 117.46 118.65 2g81 n PHE 41 Ca 0.13 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.63 2g81 n PHE 41 Cb 0.43 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.29 2g81 n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2g81 n GLY 43 N -0.33 2.54 3.80 0.00 0.00 0.17 -0.61 105.19 110.76 2g81 n GLY 43 Ca -0.10 -2.22 -0.03 0.00 0.00 0.00 0.00 46.02 43.66 2g81 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2g81 s GLY 44 N -3.25 -0.09 -0.08 -0.02 0.00 -0.86 -3.57 107.32 99.45 2g81 s GLY 44 Ca 0.24 -0.06 0.02 0.00 0.00 0.00 0.00 44.72 44.93 2g81 s GLY 44 CO 0.15 0.73 -0.15 -0.56 0.00 0.00 0.00 173.10 173.28 2g81 s SER 45 N -3.10 2.18 -0.08 1.64 0.01 0.28 -1.12 113.70 113.51 2g81 s SER 45 Ca 0.15 -0.37 -0.30 0.00 1.31 0.00 0.00 55.95 56.74 2g81 s SER 45 Cb -0.02 -0.99 -0.03 0.00 0.21 0.00 0.00 66.02 65.19 2g81 s SER 45 CO 0.04 0.05 1.20 -0.22 0.41 0.00 0.00 173.24 174.72 2g81 s LEU 46 N 0.71 4.26 -0.01 2.44 2.96 0.67 -0.34 118.68 129.37 2g81 s LEU 46 Ca -0.13 1.78 0.09 0.00 -0.22 0.00 0.00 54.13 55.65 2g81 s LEU 46 Cb -0.16 -3.55 -0.13 0.00 0.50 0.00 0.00 46.19 42.84 2g81 s LEU 46 CO 0.03 -0.61 0.24 2.30 -1.32 0.00 0.00 176.35 177.00 2g81 n ILE 47 N 4.74 0.00 -3.39 6.68 -5.35 0.10 -0.65 119.36 121.50 2g81 n ILE 47 Ca 0.11 -0.23 -0.03 0.00 -0.27 0.00 0.00 62.75 62.33 2g81 n ILE 47 Cb 0.46 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 38.81 2g81 n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2g81 n ASN 48 N -1.69 -0.60 0.28 7.28 2.04 -1.13 -4.57 115.26 116.87 2g81 n ASN 48 Ca -0.01 -1.51 0.19 0.00 -0.44 0.00 0.00 54.58 52.81 2g81 n ASN 48 Cb 0.22 1.03 0.94 0.00 -2.53 0.00 0.00 39.78 39.44 2g81 n ASN 48 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 2g81 h SER 49 N 0.60 0.00 0.00 0.53 4.64 -1.96 -2.90 113.55 114.46 2g81 h SER 49 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2g81 h SER 49 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2g81 h SER 49 CO 0.12 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.75 2g81 n GLN 50 N -2.86 0.44 -4.19 4.77 7.27 -1.26 0.12 117.38 121.67 2g81 n GLN 50 Ca -0.02 -0.80 -0.17 0.00 0.07 0.00 0.00 57.00 56.08 2g81 n GLN 50 Cb 0.12 -0.95 -0.15 0.00 2.41 0.00 0.00 30.24 31.68 2g81 n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2g81 s TRP 51 N -0.33 0.57 -0.01 3.69 0.52 -1.10 -0.14 118.94 122.14 2g81 s TRP 51 Ca 0.00 -0.12 0.08 0.00 0.02 0.00 0.00 56.10 56.08 2g81 s TRP 51 Cb 0.00 -0.41 -0.02 0.00 -1.15 0.00 0.00 33.47 31.89 2g81 s TRP 51 CO 0.00 -0.05 -0.24 0.08 0.02 0.00 0.00 176.95 176.76 2g81 s VAL 52 N 0.12 1.91 -0.14 4.03 1.01 0.38 -0.72 120.40 126.99 2g81 s VAL 52 Ca -0.01 -1.07 -0.06 0.00 0.00 0.00 0.00 61.98 60.84 2g81 s VAL 52 Cb -0.05 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2g81 s VAL 52 CO -0.00 0.50 0.07 0.54 0.00 0.00 0.00 175.10 176.21 2g81 s VAL 53 N -0.60 4.87 0.00 2.92 0.11 0.53 -0.06 120.40 128.18 2g81 s VAL 53 Ca 0.09 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 2g81 s VAL 53 Cb -0.09 -3.13 0.00 0.00 -1.53 0.00 0.00 36.38 31.63 2g81 s VAL 53 CO -0.01 0.55 0.00 -0.24 -3.33 0.00 0.00 175.10 172.08 2g81 n SER 54 N 2.66 0.00 -4.84 3.54 2.88 0.26 -0.56 113.62 117.56 2g81 n SER 54 Ca -0.18 -0.97 -0.34 0.00 -1.33 0.00 0.00 58.87 56.05 2g81 n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.94 2g81 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2g81 s ALA 55 N -1.79 3.45 0.40 -1.46 0.00 -1.26 -0.79 121.76 120.32 2g81 s ALA 55 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 51.96 52.00 2g81 s ALA 55 Cb 0.00 -2.66 0.83 0.00 0.00 0.00 0.00 23.12 21.29 2g81 s ALA 55 CO 0.00 0.39 2.04 0.00 0.00 0.00 0.00 175.76 178.19 2g81 h ALA 56 N 2.93 1.67 0.00 0.00 0.00 -1.70 -0.92 119.26 121.25 2g81 h ALA 56 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2g81 h ALA 56 Cb 1.18 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2g81 h ALA 56 CO 0.66 0.29 0.00 -2.39 0.00 0.00 0.00 179.25 177.81 2g81 n HIS 57 N -4.45 0.00 1.36 0.00 1.44 -1.26 -1.65 115.22 110.66 2g81 n HIS 57 Ca 0.03 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.86 2g81 n HIS 57 Cb 0.08 -0.26 0.45 0.00 0.12 0.00 0.00 29.99 30.38 2g81 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2g81 n TYR 59 N 0.23 2.66 -3.71 0.00 9.36 -0.66 -4.97 117.16 120.06 2g81 n TYR 59 Ca 0.17 0.11 -0.13 0.00 3.32 0.00 0.00 57.90 61.37 2g81 n TYR 59 Cb 0.33 -2.64 -0.08 0.00 -0.63 0.00 0.00 39.34 36.33 2g81 n TYR 59 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2g81 s LYS 60 N 0.93 0.78 0.62 2.98 1.02 -1.26 -5.14 119.74 119.68 2g81 s LYS 60 Ca 0.75 -0.22 -0.17 0.00 0.02 0.00 0.00 55.97 56.34 2g81 s LYS 60 Cb -0.54 0.35 -0.02 0.00 -0.52 0.00 0.00 37.83 37.10 2g81 s LYS 60 CO 0.35 -0.24 1.16 -1.54 -0.92 0.00 0.00 175.35 174.17 2g81 s SER 61 N -1.55 5.12 -1.00 2.83 1.04 -1.26 -4.07 113.70 114.79 2g81 s SER 61 Ca -0.10 2.23 -0.02 0.00 0.48 0.00 0.00 55.95 58.54 2g81 s SER 61 Cb -0.03 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2g81 s SER 61 CO 0.03 -1.63 0.23 0.61 0.98 0.00 0.00 173.24 173.45 2g81 n GLY 62 N 0.13 -0.09 3.71 7.32 0.00 -1.26 -4.85 105.19 110.15 2g81 n GLY 62 Ca 0.12 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2g81 n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g81 s ILE 63 N -2.81 3.97 -0.15 -0.61 1.01 -1.26 -4.46 121.20 116.89 2g81 s ILE 63 Ca 0.11 1.40 -0.02 0.00 0.00 0.00 0.00 60.65 62.14 2g81 s ILE 63 Cb -0.05 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 2g81 s ILE 63 CO 0.14 0.09 -0.08 -1.58 0.00 0.00 0.00 174.94 173.51 2g81 s GLN 64 N 1.28 3.55 -0.11 2.79 0.74 0.65 -1.39 119.66 127.17 2g81 s GLN 64 Ca 0.59 -0.59 -0.19 0.00 0.05 0.00 0.00 55.36 55.22 2g81 s GLN 64 Cb -0.30 -2.80 -0.04 0.00 1.10 0.00 0.00 33.01 30.97 2g81 s GLN 64 CO 0.28 0.23 0.52 0.08 -0.55 0.00 0.00 175.29 175.85 2g81 s VAL 65 N 0.36 5.16 -0.29 1.34 1.01 0.93 -0.63 120.40 128.28 2g81 s VAL 65 Ca -0.07 1.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.94 2g81 s VAL 65 Cb -0.15 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.42 2g81 s VAL 65 CO 0.04 0.30 -0.02 -0.13 0.00 0.00 0.00 175.10 175.29 2g81 s ARG 66 N 0.73 2.46 0.24 2.72 0.52 0.49 -0.51 118.95 125.59 2g81 s ARG 66 Ca 0.28 -1.24 0.06 0.00 -0.52 0.00 0.00 55.73 54.31 2g81 s ARG 66 Cb -0.16 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 32.16 2g81 s ARG 66 CO 0.12 -0.58 0.23 -0.51 0.02 0.00 0.00 175.30 174.57 2g81 s LEU 67 N 1.24 3.93 -1.43 2.53 1.02 0.40 -1.13 118.68 125.24 2g81 s LEU 67 Ca -0.05 -0.17 0.00 0.00 0.02 0.00 0.00 54.13 53.93 2g81 s LEU 67 Cb -0.19 -2.47 0.00 0.00 0.02 0.00 0.00 46.19 43.55 2g81 s LEU 67 CO -0.02 -0.03 0.00 0.61 0.02 0.00 0.00 176.35 176.93 2g81 n GLY 69 N -1.13 1.41 3.81 -3.19 0.00 -1.26 -0.65 105.19 104.17 2g81 n GLY 69 Ca -0.08 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 2g81 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g81 s GLU 70 N -3.13 4.35 0.00 1.61 0.41 -1.26 -3.77 118.70 116.91 2g81 s GLU 70 Ca 0.00 1.09 0.00 0.00 -0.41 0.00 0.00 54.97 55.65 2g81 s GLU 70 Cb 0.00 -2.61 0.00 0.00 -1.78 0.00 0.00 34.13 29.74 2g81 s GLU 70 CO 0.00 0.21 0.00 -3.47 -0.49 0.00 0.00 175.26 171.51 2g81 n ASP 71 N 0.16 0.00 -4.57 -0.19 2.03 -1.26 -4.53 116.55 108.19 2g81 n ASP 71 Ca 0.03 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.91 2g81 n ASP 71 Cb 0.52 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.89 2g81 n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2g81 s ASN 72 N -2.91 6.41 0.00 1.67 3.84 -1.26 -2.94 114.94 119.76 2g81 s ASN 72 Ca 0.00 -0.00 0.21 0.00 0.21 0.00 0.00 52.86 53.28 2g81 s ASN 72 Cb 0.00 -2.53 1.12 0.00 -0.55 0.00 0.00 41.25 39.29 2g81 s ASN 72 CO 0.00 -1.46 1.67 2.30 -2.79 0.00 0.00 177.10 176.82 2g81 n ILE 73 N 6.58 0.26 0.40 -5.21 -5.35 -0.26 -2.43 119.36 113.35 2g81 n ILE 73 Ca 0.07 0.06 0.08 0.00 -0.27 0.00 0.00 62.75 62.70 2g81 n ILE 73 Cb 0.49 -0.72 0.12 0.00 -1.74 0.00 0.00 39.64 37.79 2g81 n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2g81 n ASN 74 N -1.21 2.70 -3.79 7.28 5.03 -1.26 -4.93 115.26 119.08 2g81 n ASN 74 Ca 0.12 -1.79 -0.14 0.00 0.87 0.00 0.00 54.58 53.64 2g81 n ASN 74 Cb 0.14 -0.11 -0.15 0.00 -1.02 0.00 0.00 39.78 38.64 2g81 n ASN 74 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2g81 s VAL 75 N -1.27 -0.04 -0.30 2.41 1.01 -1.02 -5.10 120.40 116.09 2g81 s VAL 75 Ca 0.24 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 62.08 2g81 s VAL 75 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.44 2g81 s VAL 75 CO 0.22 0.06 1.25 -0.69 0.00 0.00 0.00 175.10 175.94 2g81 s VAL 76 N 0.78 4.22 -0.30 2.92 1.01 -1.26 -4.66 120.40 123.11 2g81 s VAL 76 Ca -0.06 1.40 0.20 0.00 0.00 0.00 0.00 61.98 63.51 2g81 s VAL 76 Cb -0.09 -4.20 -0.28 0.00 0.00 0.00 0.00 36.38 31.80 2g81 s VAL 76 CO -0.03 -0.46 0.56 -0.62 0.00 0.00 0.00 175.10 174.56 2g81 n GLU 77 N 7.18 0.59 0.00 2.72 1.02 -1.26 -5.01 120.64 125.88 2g81 n GLU 77 Ca 0.14 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2g81 n GLU 77 Cb 0.47 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 2g81 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2g81 n GLY 78 N 1.39 1.11 0.60 0.62 0.00 -1.26 -4.96 105.19 102.70 2g81 n GLY 78 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 2g81 n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2g81 n ASN 79 N 0.00 2.52 -4.80 1.61 3.02 -1.26 -5.03 115.26 111.33 2g81 n ASN 79 Ca 0.00 -1.75 -0.33 0.00 -0.03 0.00 0.00 54.58 52.47 2g81 n ASN 79 Cb 0.00 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 2g81 n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2g81 s GLU 80 N -1.02 3.40 -0.08 3.52 8.01 -1.25 -4.42 118.70 126.86 2g81 s GLU 80 Ca 0.20 1.29 0.02 0.00 0.01 0.00 0.00 54.97 56.49 2g81 s GLU 80 Cb 0.12 -2.04 0.02 0.00 -4.31 0.00 0.00 34.13 27.92 2g81 s GLU 80 CO 0.17 -0.76 -0.12 -0.65 0.01 0.00 0.00 175.26 173.91 2g81 s GLN 81 N -3.80 1.71 -0.28 1.61 -0.21 0.17 -4.95 119.66 113.90 2g81 s GLN 81 Ca 0.66 -0.39 -0.07 0.00 0.02 0.00 0.00 55.36 55.57 2g81 s GLN 81 Cb -0.17 -1.47 0.00 0.00 1.00 0.00 0.00 33.01 32.37 2g81 s GLN 81 CO 0.32 -0.03 0.07 -0.06 -2.12 0.00 0.00 175.29 173.47 2g81 s PHE 82 N 0.88 3.13 -0.06 0.91 2.99 -1.26 -0.45 117.98 124.12 2g81 s PHE 82 Ca -0.10 -0.90 0.01 0.00 0.00 0.00 0.00 56.93 55.94 2g81 s PHE 82 Cb -0.15 -2.24 0.02 0.00 0.00 0.00 0.00 43.02 40.64 2g81 s PHE 82 CO 0.01 -0.54 -0.06 0.42 -0.00 0.00 0.00 175.22 175.04 2g81 s ILE 83 N 1.52 0.71 0.40 0.64 1.01 0.33 -4.97 121.20 120.84 2g81 s ILE 83 Ca 0.03 -0.21 -0.26 0.00 0.00 0.00 0.00 60.65 60.21 2g81 s ILE 83 Cb -0.17 -0.72 -0.09 0.00 0.01 0.00 0.00 42.46 41.50 2g81 s ILE 83 CO 0.02 0.27 1.29 -0.44 0.00 0.00 0.00 174.94 176.09 2g81 s SER 84 N 0.99 6.36 0.19 3.58 0.01 -1.26 -0.05 113.70 123.52 2g81 s SER 84 Ca -0.10 2.63 -0.30 0.00 1.31 0.00 0.00 55.95 59.50 2g81 s SER 84 Cb -0.14 -2.64 -0.08 0.00 0.21 0.00 0.00 66.02 63.37 2g81 s SER 84 CO -0.00 -0.82 1.16 0.00 0.41 0.00 0.00 173.24 173.99 2g81 s ALA 85 N -1.27 3.41 -0.17 1.44 0.00 -0.49 -0.64 121.76 124.04 2g81 s ALA 85 Ca 0.56 0.90 0.04 0.00 0.00 0.00 0.00 51.96 53.47 2g81 s ALA 85 Cb -0.38 -3.39 -0.14 0.00 0.00 0.00 0.00 23.12 19.22 2g81 s ALA 85 CO 0.48 -0.30 -0.11 -1.13 0.00 0.00 0.00 175.76 174.70 2g81 n SER 86 N 2.37 2.28 -4.02 0.00 3.41 0.11 -4.74 113.62 113.03 2g81 n SER 86 Ca 0.03 -0.07 -0.20 0.00 -0.26 0.00 0.00 58.87 58.37 2g81 n SER 86 Cb 0.45 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.25 2g81 n SER 86 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2g81 s LYS 87 N -2.36 0.91 -0.15 4.33 1.02 -1.08 -4.97 119.74 117.43 2g81 s LYS 87 Ca -0.20 -0.34 -0.04 0.00 0.02 0.00 0.00 55.97 55.41 2g81 s LYS 87 Cb 0.06 -0.86 -0.03 0.00 -0.52 0.00 0.00 37.83 36.48 2g81 s LYS 87 CO 0.47 0.16 -0.01 0.45 -0.92 0.00 0.00 175.35 175.50 2g81 s SER 88 N -0.01 5.03 -0.35 2.83 0.15 -1.26 -0.45 113.70 119.64 2g81 s SER 88 Ca 0.00 -0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.63 2g81 s SER 88 Cb -0.06 -1.75 0.11 0.00 -1.71 0.00 0.00 66.02 62.60 2g81 s SER 88 CO 0.00 0.21 0.11 -0.63 1.20 0.00 0.00 173.24 174.13 2g81 s ILE 89 N 0.13 1.51 0.26 6.45 1.01 0.89 -4.98 121.20 126.46 2g81 s ILE 89 Ca 0.00 -1.98 -0.29 0.00 0.00 0.00 0.00 60.65 58.39 2g81 s ILE 89 Cb -0.13 -2.11 -0.09 0.00 0.01 0.00 0.00 42.46 40.13 2g81 s ILE 89 CO 0.02 -0.69 0.94 -0.69 0.00 0.00 0.00 174.94 174.52 2g81 s VAL 90 N 1.10 4.12 0.26 2.92 1.01 -1.26 -0.56 120.40 127.99 2g81 s VAL 90 Ca 0.12 2.00 -0.30 0.00 0.00 0.00 0.00 61.98 63.79 2g81 s VAL 90 Cb -0.19 -4.23 -0.13 0.00 0.00 0.00 0.00 36.38 31.82 2g81 s VAL 90 CO -0.15 0.39 1.31 1.57 0.00 0.00 0.00 175.10 178.22 2g81 n HIS 91 N 1.21 1.98 0.31 5.22 -0.00 -0.53 -4.82 115.22 118.59 2g81 n HIS 91 Ca -0.01 0.52 0.20 0.00 0.46 0.00 0.00 57.72 58.89 2g81 n HIS 91 Cb 0.48 -2.40 1.00 0.00 -0.12 0.00 0.00 29.99 28.95 2g81 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2g81 h PRO 92 N 3.51 0.00 -0.57 1.57 0.13 -1.92 -1.22 132.00 133.49 2g81 h PRO 92 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2g81 h PRO 92 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2g81 h PRO 92 CO 0.71 0.01 0.00 0.43 -0.23 0.00 0.00 178.00 178.91 2g81 n SER 93 N -3.12 3.60 -4.67 1.44 7.64 -1.26 -4.98 113.62 112.27 2g81 n SER 93 Ca -0.02 -1.98 -0.46 0.00 1.01 0.00 0.00 58.87 57.42 2g81 n SER 93 Cb 0.16 -0.38 -0.04 0.00 -1.01 0.00 0.00 64.21 62.94 2g81 n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2g81 n TYR 94 N 1.34 2.26 -3.99 1.43 -0.00 -0.46 -4.67 117.16 113.07 2g81 n TYR 94 Ca 0.20 0.26 -0.31 0.00 -0.00 0.00 0.00 57.90 58.05 2g81 n TYR 94 Cb 0.57 -2.55 -0.15 0.00 -0.00 0.00 0.00 39.34 37.21 2g81 n TYR 94 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 2g81 s ASN 95 N 1.12 3.91 0.46 2.98 3.84 -0.81 -4.98 114.94 121.47 2g81 s ASN 95 Ca 0.80 -1.17 0.32 0.00 0.21 0.00 0.00 52.86 53.01 2g81 s ASN 95 Cb -0.69 -1.30 1.46 0.00 -0.55 0.00 0.00 41.25 40.17 2g81 s ASN 95 CO 0.39 -0.20 1.95 0.77 -2.79 0.00 0.00 177.10 177.22 2g81 h SER 96 N 7.91 0.00 0.90 -4.21 4.64 -1.92 0.43 113.55 121.30 2g81 h SER 96 Ca -0.21 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.07 2g81 h SER 96 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 2g81 h SER 96 CO 0.44 0.00 -0.21 0.78 -0.87 0.00 0.00 176.83 176.97 2g81 h ASN 97 N 0.00 0.00 0.00 4.97 2.35 -1.97 -3.32 115.58 117.61 2g81 h ASN 97 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2g81 h ASN 97 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2g81 h ASN 97 CO 0.00 0.21 -0.10 0.35 -1.65 0.00 0.00 177.43 176.24 2g81 n THR 98 N -3.39 0.00 -1.43 2.81 -2.24 -0.81 -4.99 114.28 104.24 2g81 n THR 98 Ca 0.00 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.40 2g81 n THR 98 Cb 0.42 0.88 -0.06 0.00 -2.10 0.00 0.00 70.33 69.46 2g81 n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2g81 n LEU 99 N -0.62 -0.80 -4.77 3.22 4.77 0.14 -4.97 117.00 113.98 2g81 n LEU 99 Ca 0.00 0.36 -0.40 0.00 -0.03 0.00 0.00 56.01 55.95 2g81 n LEU 99 Cb 0.00 -2.72 -0.03 0.00 -2.33 0.00 0.00 43.42 38.34 2g81 n LEU 99 CO 0.00 -1.05 0.87 0.21 -1.33 0.00 0.00 177.39 176.10 2g81 s ASN 100 N -2.56 6.89 -1.07 -1.43 3.04 -1.20 -3.17 114.94 115.44 2g81 s ASN 100 Ca 0.00 2.45 -0.05 0.00 0.04 0.00 0.00 52.86 55.29 2g81 s ASN 100 Cb 0.00 -2.63 0.01 0.00 -1.54 0.00 0.00 41.25 37.08 2g81 s ASN 100 CO 0.00 -0.43 0.92 0.59 -3.04 0.00 0.00 177.10 175.14 2g81 n ASN 101 N 0.74 -4.58 -4.00 -4.21 4.13 -1.26 -1.92 115.26 104.17 2g81 n ASN 101 Ca 0.01 -0.46 -0.42 0.00 1.68 0.00 0.00 54.58 55.39 2g81 n ASN 101 Cb 0.44 -4.21 0.00 0.00 -1.54 0.00 0.00 39.78 34.48 2g81 n ASN 101 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2g81 n ASP 102 N -2.33 4.40 -3.80 6.41 2.03 -1.19 -4.12 116.55 117.95 2g81 n ASP 102 Ca -0.06 -2.91 -0.13 0.00 0.52 0.00 0.00 54.79 52.21 2g81 n ASP 102 Cb 0.57 -1.65 -0.11 0.00 -0.72 0.00 0.00 41.12 39.21 2g81 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2g81 s ILE 103 N 2.91 0.01 -0.04 5.18 2.07 -1.26 -3.76 121.20 126.31 2g81 s ILE 103 Ca 0.47 -0.10 -0.04 0.00 -1.41 0.00 0.00 60.65 59.57 2g81 s ILE 103 Cb 0.10 -0.36 0.01 0.00 0.13 0.00 0.00 42.46 42.34 2g81 s ILE 103 CO -0.03 -0.06 0.11 -0.32 -1.91 0.00 0.00 174.94 172.73 2g81 s MET 104 N -0.12 0.16 -0.10 3.50 -2.45 0.03 -1.46 119.30 118.87 2g81 s MET 104 Ca -0.02 0.09 -0.05 0.00 -1.25 0.00 0.00 55.69 54.45 2g81 s MET 104 Cb -0.02 0.08 -0.04 0.00 1.25 0.00 0.00 34.83 36.09 2g81 s MET 104 CO 0.01 -0.02 0.11 -0.51 1.05 0.00 0.00 175.02 175.66 2g81 s LEU 105 N -0.11 4.20 -0.16 4.11 1.43 0.27 -0.58 118.68 127.85 2g81 s LEU 105 Ca -0.02 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 2g81 s LEU 105 Cb -0.02 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.14 2g81 s LEU 105 CO 0.00 0.38 -0.19 -0.63 0.23 0.00 0.00 176.35 176.14 2g81 s ILE 106 N -1.04 1.94 -0.05 -0.59 1.01 0.92 -0.08 121.20 123.31 2g81 s ILE 106 Ca 0.16 -0.88 -0.17 0.00 0.00 0.00 0.00 60.65 59.76 2g81 s ILE 106 Cb -0.12 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 2g81 s ILE 106 CO 0.06 0.52 0.47 -0.75 0.00 0.00 0.00 174.94 175.24 2g81 s LYS 107 N 1.21 4.19 0.36 2.79 2.20 0.40 -0.47 119.74 130.42 2g81 s LYS 107 Ca 0.02 0.49 -0.24 0.00 -0.36 0.00 0.00 55.97 55.87 2g81 s LYS 107 Cb -0.14 -3.34 -0.10 0.00 -1.51 0.00 0.00 37.83 32.75 2g81 s LYS 107 CO -0.10 0.40 0.95 -0.51 -0.36 0.00 0.00 175.35 175.74 2g81 s LEU 108 N -0.19 4.21 0.36 5.43 1.43 0.80 0.08 118.68 130.79 2g81 s LEU 108 Ca 0.26 1.80 0.03 0.00 -1.03 0.00 0.00 54.13 55.19 2g81 s LEU 108 Cb -0.16 -4.19 0.66 0.00 0.03 0.00 0.00 46.19 42.53 2g81 s LEU 108 CO 0.13 -0.18 1.99 0.50 0.23 0.00 0.00 176.35 179.02 2g81 h LYS 109 N 2.75 0.72 -4.59 1.70 3.64 -1.17 -3.43 116.57 116.19 2g81 h LYS 109 Ca -0.48 -0.07 -0.22 0.00 -1.27 0.00 0.00 60.65 58.62 2g81 h LYS 109 Cb 1.19 -0.15 -0.16 0.00 -0.41 0.00 0.00 32.23 32.69 2g81 h LYS 109 CO 0.64 0.52 -0.70 -1.54 -2.27 0.00 0.00 179.45 176.10 2g81 s SER 110 N -6.57 1.01 0.28 4.20 1.04 -1.26 -5.01 113.70 107.39 2g81 s SER 110 Ca -0.09 -0.90 -0.29 0.00 0.48 0.00 0.00 55.95 55.14 2g81 s SER 110 Cb 0.17 0.09 -0.10 0.00 0.10 0.00 0.00 66.02 66.28 2g81 s SER 110 CO 0.76 -0.42 1.30 0.00 0.98 0.00 0.00 173.24 175.86 2g81 s ALA 111 N -3.13 3.51 0.61 5.32 0.00 -1.26 -4.85 121.76 121.95 2g81 s ALA 111 Ca 0.06 1.18 -0.18 0.00 0.00 0.00 0.00 51.96 53.03 2g81 s ALA 111 Cb 0.02 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 2g81 s ALA 111 CO -0.04 -0.57 1.15 0.00 0.00 0.00 0.00 175.76 176.30 2g81 s ALA 112 N -0.65 2.54 -0.33 0.00 0.00 0.12 -4.99 121.76 118.44 2g81 s ALA 112 Ca 0.52 0.79 -0.22 0.00 0.00 0.00 0.00 51.96 53.04 2g81 s ALA 112 Cb -0.38 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.36 2g81 s ALA 112 CO 0.46 -1.12 0.74 0.45 0.00 0.00 0.00 175.76 176.30 2g81 s SER 113 N -2.00 6.57 0.00 0.00 0.15 -1.26 -4.83 113.70 112.33 2g81 s SER 113 Ca 0.72 0.46 -0.17 0.00 0.70 0.00 0.00 55.95 57.66 2g81 s SER 113 Cb -0.25 -2.38 -0.06 0.00 -1.71 0.00 0.00 66.02 61.62 2g81 s SER 113 CO 0.34 -0.63 0.47 -0.76 1.20 0.00 0.00 173.24 173.86 2g81 s LEU 114 N 2.93 4.46 0.00 3.45 1.43 -1.26 -4.74 118.68 124.95 2g81 s LEU 114 Ca 0.30 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 2g81 s LEU 114 Cb -0.14 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.38 2g81 s LEU 114 CO 0.14 0.26 0.00 -3.20 0.23 0.00 0.00 176.35 173.78 2g81 n ASN 115 N 2.10 0.00 0.02 2.29 4.05 0.03 -4.99 115.26 118.76 2g81 n ASN 115 Ca -0.12 0.00 -0.19 0.00 0.45 0.00 0.00 54.58 54.72 2g81 n ASN 115 Cb 0.52 0.00 -0.10 0.00 1.23 0.00 0.00 39.78 41.43 2g81 n ASN 115 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 177.26 172.93 2g81 h SER 116 N 0.00 0.85 0.31 1.20 0.87 -1.99 -3.37 113.55 111.41 2g81 h SER 116 Ca 0.00 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 59.85 2g81 h SER 116 Cb 0.00 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 2g81 h SER 116 CO 0.00 1.44 -1.27 0.54 -0.53 0.00 0.00 176.83 177.01 2g81 n ARG 117 N -3.95 0.37 -3.86 2.24 1.74 -1.26 -4.71 116.66 107.23 2g81 n ARG 117 Ca -0.10 -0.04 -0.26 0.00 -0.77 0.00 0.00 57.85 56.67 2g81 n ARG 117 Cb 0.81 -1.58 -0.17 0.00 -1.02 0.00 0.00 32.46 30.50 2g81 n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2g81 s VAL 118 N -3.27 0.86 0.03 1.55 1.01 -1.26 -4.35 120.40 114.97 2g81 s VAL 118 Ca 0.01 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 2g81 s VAL 118 Cb 0.14 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.56 2g81 s VAL 118 CO 0.84 0.23 0.38 0.00 0.00 0.00 0.00 175.10 176.55 2g81 s ALA 119 N 1.76 -0.94 0.51 5.51 0.00 -0.78 -0.79 121.76 127.04 2g81 s ALA 119 Ca 0.03 0.29 -0.08 0.00 0.00 0.00 0.00 51.96 52.21 2g81 s ALA 119 Cb -0.14 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 2g81 s ALA 119 CO -0.07 -0.41 0.85 -1.54 0.00 0.00 0.00 175.76 174.59 2g81 s SER 120 N -1.87 6.29 -0.07 0.00 1.04 -1.26 -2.72 113.70 115.10 2g81 s SER 120 Ca -0.07 1.10 0.02 0.00 0.48 0.00 0.00 55.95 57.47 2g81 s SER 120 Cb -0.01 -2.32 -0.03 0.00 0.10 0.00 0.00 66.02 63.76 2g81 s SER 120 CO -0.01 -0.64 -0.11 -0.51 0.98 0.00 0.00 173.24 172.96 2g81 s ILE 121 N -2.82 3.37 0.42 -1.02 1.10 0.18 -4.85 121.20 117.58 2g81 s ILE 121 Ca 0.50 -0.60 -0.25 0.00 -0.51 0.00 0.00 60.65 59.80 2g81 s ILE 121 Cb -0.10 -2.37 -0.08 0.00 0.15 0.00 0.00 42.46 40.06 2g81 s ILE 121 CO 0.45 0.58 1.19 -0.55 -2.11 0.00 0.00 174.94 174.50 2g81 s SER 122 N -0.56 6.40 0.47 4.50 0.15 -1.25 -4.55 113.70 118.85 2g81 s SER 122 Ca 0.08 2.39 -0.20 0.00 0.70 0.00 0.00 55.95 58.91 2g81 s SER 122 Cb -0.12 -2.62 -0.09 0.00 -1.71 0.00 0.00 66.02 61.49 2g81 s SER 122 CO 0.02 -0.77 1.00 -0.76 1.20 0.00 0.00 173.24 173.93 2g81 s LEU 123 N -2.62 3.86 0.52 3.45 1.43 -1.26 -0.67 118.68 123.38 2g81 s LEU 123 Ca 0.59 1.82 -0.19 0.00 -1.03 0.00 0.00 54.13 55.31 2g81 s LEU 123 Cb -0.31 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.29 2g81 s LEU 123 CO 0.39 -0.63 1.06 -2.16 0.23 0.00 0.00 176.35 175.24 2g81 s PRO 124 N -3.29 3.62 -0.02 1.29 0.04 -1.26 -4.79 135.00 130.60 2g81 s PRO 124 Ca 0.65 1.40 0.21 0.00 0.04 0.00 0.00 61.00 63.30 2g81 s PRO 124 Cb -0.13 -2.06 -0.25 0.00 0.04 0.00 0.00 34.50 32.09 2g81 s PRO 124 CO 0.19 -0.59 0.53 0.25 0.04 0.00 0.00 177.00 177.41 2g81 n THR 125 N -1.20 0.46 -4.10 1.26 -2.24 -1.26 -4.94 114.28 102.27 2g81 n THR 125 Ca 0.10 -0.59 -0.07 0.00 -2.27 0.00 0.00 64.05 61.21 2g81 n THR 125 Cb 0.52 -0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.44 2g81 n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2g81 s SER 127 N -4.95 0.46 0.55 3.42 1.04 -1.26 -5.14 113.70 107.82 2g81 s SER 127 Ca -0.07 -1.03 -0.19 0.00 0.48 0.00 0.00 55.95 55.15 2g81 s SER 127 Cb 0.11 0.22 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 2g81 s SER 127 CO 0.87 -0.62 1.10 0.00 0.98 0.00 0.00 173.24 175.56 2g81 s ALA 129 N -1.97 3.45 0.24 0.00 0.00 -1.26 -5.11 121.76 117.12 2g81 s ALA 129 Ca 0.70 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 51.59 2g81 s ALA 129 Cb -0.21 -2.39 -0.01 0.00 0.00 0.00 0.00 23.12 20.51 2g81 s ALA 129 CO 0.28 -1.09 0.26 -1.13 0.00 0.00 0.00 175.76 174.08 2g81 n SER 130 N -2.70 -0.68 -4.62 0.00 3.41 -1.26 -5.07 113.62 102.71 2g81 n SER 130 Ca 0.08 -2.48 -0.46 0.00 -0.26 0.00 0.00 58.87 55.76 2g81 n SER 130 Cb 0.60 1.42 -0.03 0.00 -0.26 0.00 0.00 64.21 65.95 2g81 n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2g81 n ALA 132 N -1.37 0.05 0.00 7.33 0.00 -1.26 -1.65 120.51 123.61 2g81 n ALA 132 Ca -0.09 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2g81 n ALA 132 Cb 0.42 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2g81 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g81 n GLY 133 N 1.68 1.62 3.73 0.00 0.00 0.68 -4.96 105.19 107.94 2g81 n GLY 133 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2g81 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g81 s THR 134 N -2.34 2.76 -0.13 2.61 2.01 -0.66 -4.71 115.64 115.20 2g81 s THR 134 Ca 0.00 0.57 -0.18 0.00 0.31 0.00 0.00 61.69 62.39 2g81 s THR 134 Cb 0.00 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 2g81 s THR 134 CO 0.00 0.06 0.48 -1.10 -0.69 0.00 0.00 174.62 173.37 2g81 s GLN 135 N 0.68 4.32 0.25 4.92 -1.52 -1.26 -0.47 119.66 126.58 2g81 s GLN 135 Ca 0.66 0.45 0.04 0.00 -1.95 0.00 0.00 55.36 54.55 2g81 s GLN 135 Cb -0.42 -3.45 -0.05 0.00 -0.22 0.00 0.00 33.01 28.87 2g81 s GLN 135 CO 0.35 0.12 0.01 0.00 -0.25 0.00 0.00 175.29 175.51 2g81 s LEU 137 N -3.34 2.51 -0.06 0.00 2.96 0.13 -0.77 118.68 120.10 2g81 s LEU 137 Ca 0.30 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 2g81 s LEU 137 Cb 0.06 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.13 2g81 s LEU 137 CO 0.10 0.01 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.39 2g81 s ILE 138 N 1.24 3.18 0.07 6.68 1.01 0.64 -0.66 121.20 133.35 2g81 s ILE 138 Ca 0.03 -0.67 -0.06 0.00 0.00 0.00 0.00 60.65 59.94 2g81 s ILE 138 Cb -0.14 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 2g81 s ILE 138 CO -0.06 0.59 0.11 -0.94 0.00 0.00 0.00 174.94 174.64 2g81 s SER 139 N -0.63 0.23 0.00 3.58 1.04 -1.18 -0.16 113.70 116.58 2g81 s SER 139 Ca 0.09 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2g81 s SER 139 Cb -0.11 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2g81 s SER 139 CO 0.01 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.20 2g81 n GLY 140 N 0.18 0.69 1.67 7.32 0.00 -0.27 -4.35 105.19 110.44 2g81 n GLY 140 Ca -0.16 -1.09 -0.02 0.00 0.00 0.00 0.00 46.02 44.76 2g81 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2g81 n TRP 141 N -0.69 1.97 -1.25 1.61 8.01 -1.26 -1.82 117.44 124.01 2g81 n TRP 141 Ca 0.00 -1.14 -0.30 0.00 -1.31 0.00 0.00 57.50 54.75 2g81 n TRP 141 Cb 0.00 -0.58 0.22 0.00 -2.01 0.00 0.00 31.31 28.94 2g81 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2g81 s GLY 142 N -1.37 1.61 0.30 6.99 0.00 -1.25 -4.33 107.32 109.27 2g81 s GLY 142 Ca 0.51 -0.88 -0.29 0.00 0.00 0.00 0.00 44.72 44.07 2g81 s GLY 142 CO 0.11 -0.07 1.15 -2.01 0.00 0.00 0.00 173.10 172.29 2g81 n ASN 143 N -4.47 1.95 -0.89 1.64 2.85 0.11 -2.48 115.26 113.98 2g81 n ASN 143 Ca 0.12 1.18 0.10 0.00 -0.11 0.00 0.00 54.58 55.87 2g81 n ASN 143 Cb 0.59 -1.37 0.14 0.00 1.24 0.00 0.00 39.78 40.38 2g81 n ASN 143 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2g81 n THR 144 N 0.47 0.29 -4.74 -0.44 -2.24 -0.07 -0.73 114.28 106.82 2g81 n THR 144 Ca 0.08 -0.64 -0.33 0.00 -2.27 0.00 0.00 64.05 60.88 2g81 n THR 144 Cb 0.33 1.15 -0.12 0.00 -2.10 0.00 0.00 70.33 69.58 2g81 n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2g81 s LYS 145 N -1.45 2.75 0.17 -0.78 1.02 -1.26 -4.36 119.74 115.82 2g81 s LYS 145 Ca 0.28 -0.62 0.08 0.00 0.02 0.00 0.00 55.97 55.74 2g81 s LYS 145 Cb 0.18 -2.52 -0.05 0.00 -0.52 0.00 0.00 37.83 34.92 2g81 s LYS 145 CO 0.26 0.59 1.37 0.66 -0.92 0.00 0.00 175.35 177.31 2g81 h SER 146 N 5.49 0.00 -3.19 2.83 4.64 -1.92 -3.42 113.55 117.97 2g81 h SER 146 Ca -0.45 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.31 2g81 h SER 146 Cb 1.17 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.89 2g81 h SER 146 CO 0.52 0.87 -0.81 -0.55 -0.87 0.00 0.00 176.83 176.00 2g81 s SER 147 N -6.72 2.49 0.00 4.97 0.15 -1.26 -4.58 113.70 108.74 2g81 s SER 147 Ca 0.01 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.22 2g81 s SER 147 Cb 0.11 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.44 2g81 s SER 147 CO 0.80 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.74 2g81 n GLY 148 N 4.87 -1.78 2.80 9.45 0.00 -1.26 -4.98 105.19 114.29 2g81 n GLY 148 Ca -0.14 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 43.96 2g81 n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2g81 s THR 149 N 0.00 -0.04 -0.17 2.61 -4.23 -1.26 -4.67 115.64 107.87 2g81 s THR 149 Ca 0.00 0.16 -0.07 0.00 -1.18 0.00 0.00 61.69 60.60 2g81 s THR 149 Cb 0.00 -0.07 0.08 0.00 1.34 0.00 0.00 72.50 73.85 2g81 s THR 149 CO 0.00 0.06 0.37 -0.55 -0.54 0.00 0.00 174.62 173.97 2g81 s SER 150 N 0.78 -0.13 -0.20 3.99 0.15 -1.26 -4.94 113.70 112.09 2g81 s SER 150 Ca -0.06 0.86 -0.05 0.00 0.70 0.00 0.00 55.95 57.40 2g81 s SER 150 Cb -0.09 1.09 -0.03 0.00 -1.71 0.00 0.00 66.02 65.28 2g81 s SER 150 CO -0.02 -0.23 0.01 -0.31 1.20 0.00 0.00 173.24 173.89 2g81 s TYR 151 N 2.38 3.06 0.64 3.44 2.02 -1.26 -0.89 117.35 126.73 2g81 s TYR 151 Ca -0.02 -0.41 -0.11 0.00 -0.37 0.00 0.00 57.07 56.15 2g81 s TYR 151 Cb -0.12 -2.09 -0.03 0.00 -0.40 0.00 0.00 41.96 39.32 2g81 s TYR 151 CO -0.12 -0.22 1.04 -1.25 -1.57 0.00 0.00 175.55 173.43 2g81 s PRO 152 N 1.00 3.47 -0.00 -1.71 0.04 -1.26 -4.97 135.00 131.56 2g81 s PRO 152 Ca 0.02 0.77 -0.18 0.00 0.04 0.00 0.00 61.00 61.65 2g81 s PRO 152 Cb -0.14 -2.06 -0.34 0.00 0.04 0.00 0.00 34.50 31.99 2g81 s PRO 152 CO 0.02 -0.67 0.94 -0.44 0.04 0.00 0.00 177.00 176.89 2g81 h ASP 153 N -0.39 0.71 -1.96 6.66 3.45 -1.94 -3.47 116.42 119.48 2g81 h ASP 153 Ca -0.44 -0.93 -0.50 0.00 0.43 0.00 0.00 57.03 55.59 2g81 h ASP 153 Cb 1.20 -0.23 -0.04 0.00 -0.56 0.00 0.00 39.33 39.69 2g81 h ASP 153 CO 0.61 1.62 -0.48 0.68 -1.57 0.00 0.00 179.24 180.10 2g81 s VAL 154 N -2.54 3.79 0.23 -1.35 -7.23 -1.26 -1.10 120.40 110.94 2g81 s VAL 154 Ca -0.11 -1.41 -0.30 0.00 -1.81 0.00 0.00 61.98 58.35 2g81 s VAL 154 Cb 0.03 -3.23 -0.09 0.00 0.56 0.00 0.00 36.38 33.64 2g81 s VAL 154 CO 0.90 -0.23 1.34 -0.22 -0.31 0.00 0.00 175.10 176.58 2g81 s LEU 155 N -3.94 4.41 0.11 1.32 2.96 -1.15 -4.82 118.68 117.58 2g81 s LEU 155 Ca 0.38 2.51 0.06 0.00 -0.22 0.00 0.00 54.13 56.86 2g81 s LEU 155 Cb -0.06 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 2g81 s LEU 155 CO 0.26 -0.56 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.15 2g81 s LYS 156 N -0.47 2.36 0.09 1.98 -0.14 -0.76 -1.63 119.74 121.17 2g81 s LYS 156 Ca 0.56 -0.97 0.06 0.00 -1.36 0.00 0.00 55.97 54.26 2g81 s LYS 156 Cb -0.38 -2.41 -0.03 0.00 -1.68 0.00 0.00 37.83 33.32 2g81 s LYS 156 CO 0.42 0.51 -0.15 0.00 -0.76 0.00 0.00 175.35 175.36 2g81 s LEU 158 N -1.91 0.15 -0.12 0.00 2.96 0.78 -0.36 118.68 120.18 2g81 s LEU 158 Ca 0.01 0.57 -0.21 0.00 -0.22 0.00 0.00 54.13 54.29 2g81 s LEU 158 Cb -0.09 0.76 -0.04 0.00 0.50 0.00 0.00 46.19 47.33 2g81 s LEU 158 CO 0.03 -0.19 0.60 -0.54 -1.32 0.00 0.00 176.35 174.92 2g81 s LYS 159 N 1.64 4.35 -0.10 1.98 1.02 -1.26 -0.26 119.74 127.11 2g81 s LYS 159 Ca -0.06 0.65 -0.13 0.00 0.02 0.00 0.00 55.97 56.45 2g81 s LYS 159 Cb -0.11 -3.47 0.03 0.00 -0.52 0.00 0.00 37.83 33.76 2g81 s LYS 159 CO -0.09 0.03 0.35 0.00 -0.92 0.00 0.00 175.35 174.72 2g81 s ALA 160 N 0.98 -0.87 0.31 5.17 0.00 0.05 -4.96 121.76 122.44 2g81 s ALA 160 Ca 0.31 0.84 -0.08 0.00 0.00 0.00 0.00 51.96 53.03 2g81 s ALA 160 Cb -0.16 -0.42 -0.06 0.00 0.00 0.00 0.00 23.12 22.48 2g81 s ALA 160 CO 0.13 -0.19 0.63 -1.25 0.00 0.00 0.00 175.76 175.08 2g81 s PRO 161 N -0.19 3.73 0.25 0.00 0.04 -1.26 -0.29 135.00 137.27 2g81 s PRO 161 Ca -0.03 0.23 -0.30 0.00 0.04 0.00 0.00 61.00 60.94 2g81 s PRO 161 Cb -0.03 -2.56 -0.09 0.00 0.04 0.00 0.00 34.50 31.86 2g81 s PRO 161 CO 0.02 0.16 1.24 0.42 0.04 0.00 0.00 177.00 178.87 2g81 s ILE 162 N -2.11 3.22 0.16 0.56 1.01 0.37 -1.05 121.20 123.37 2g81 s ILE 162 Ca 0.47 1.11 0.03 0.00 0.00 0.00 0.00 60.65 62.26 2g81 s ILE 162 Cb -0.11 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 2g81 s ILE 162 CO 0.28 0.21 0.29 -0.76 0.00 0.00 0.00 174.94 174.96 2g81 s LEU 163 N -0.84 4.31 0.21 2.97 1.43 0.09 -0.23 118.68 126.63 2g81 s LEU 163 Ca 0.51 0.14 -0.31 0.00 -1.03 0.00 0.00 54.13 53.45 2g81 s LEU 163 Cb -0.35 -2.88 -0.15 0.00 0.03 0.00 0.00 46.19 42.83 2g81 s LEU 163 CO 0.42 0.04 1.00 -0.24 0.23 0.00 0.00 176.35 177.80 2g81 n SER 164 N -0.66 0.87 0.28 2.29 2.88 -1.26 -4.59 113.62 113.43 2g81 n SER 164 Ca -0.07 1.15 0.13 0.00 -1.33 0.00 0.00 58.87 58.75 2g81 n SER 164 Cb 0.54 -1.19 0.81 0.00 -0.75 0.00 0.00 64.21 63.62 2g81 n SER 164 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2g81 h ASP 165 N 2.49 0.00 -0.57 -3.46 3.32 -1.97 -1.18 116.42 115.04 2g81 h ASP 165 Ca -0.40 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.63 2g81 h ASP 165 Cb 1.36 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.88 2g81 h ASP 165 CO 0.64 0.03 0.26 0.28 -1.72 0.00 0.00 179.24 178.72 2g81 h SER 166 N 0.00 0.77 -0.37 6.45 0.02 -1.99 0.21 113.55 118.64 2g81 h SER 166 Ca -0.00 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 60.73 2g81 h SER 166 Cb 0.06 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2g81 h SER 166 CO 0.00 0.70 -0.05 0.28 -1.14 0.00 0.00 176.83 176.63 2g81 h SER 167 N 0.78 0.69 0.03 3.07 0.02 -1.62 -1.14 113.55 115.38 2g81 h SER 167 Ca 0.19 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2g81 h SER 167 Cb 0.16 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2g81 h SER 167 CO -0.02 0.86 -0.04 0.00 -1.14 0.00 0.00 176.83 176.49 2g81 h LYS 169 N -0.10 0.25 -0.64 0.00 1.57 -0.59 -1.55 116.57 115.51 2g81 h LYS 169 Ca 0.01 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 2g81 h LYS 169 Cb 0.10 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2g81 h LYS 169 CO -0.02 0.58 0.08 0.77 -0.57 0.00 0.00 179.45 180.29 2g81 h SER 170 N 0.21 1.04 0.18 0.86 0.02 -0.79 -2.46 113.55 112.61 2g81 h SER 170 Ca 0.02 -0.27 -0.08 0.00 -0.84 0.00 0.00 61.79 60.62 2g81 h SER 170 Cb 0.74 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 2g81 h SER 170 CO 0.06 1.05 -0.31 0.00 -1.14 0.00 0.00 176.83 176.48 2g81 h ALA 171 N 1.03 1.28 -2.22 3.77 0.00 -0.47 -3.36 119.26 119.28 2g81 h ALA 171 Ca 0.19 -0.33 -0.58 0.00 0.00 0.00 0.00 54.91 54.18 2g81 h ALA 171 Cb 0.47 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 17.78 2g81 h ALA 171 CO 0.02 0.50 -0.90 0.66 0.00 0.00 0.00 179.25 179.53 2g81 n TYR 172 N -4.12 0.96 -1.71 0.00 4.02 -0.63 -4.98 117.16 110.70 2g81 n TYR 172 Ca -0.01 -3.75 -0.43 0.00 -0.01 0.00 0.00 57.90 53.70 2g81 n TYR 172 Cb 0.40 -0.32 -0.03 0.00 -0.02 0.00 0.00 39.34 39.36 2g81 n TYR 172 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2g81 n PRO 173 N 1.57 2.68 -0.98 -0.72 -0.02 -0.96 -1.82 135.00 134.75 2g81 n PRO 173 Ca 0.25 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.70 2g81 n PRO 173 Cb 0.47 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 2g81 n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2g81 n GLY 174 N 3.89 0.56 0.00 -1.23 0.00 -1.26 -4.85 105.19 102.30 2g81 n GLY 174 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 2g81 n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2g81 n GLN 175 N -2.34 3.82 -3.26 1.61 6.02 -0.76 -4.97 117.38 117.50 2g81 n GLN 175 Ca 0.00 -0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.57 2g81 n GLN 175 Cb 0.05 -0.80 -0.08 0.00 1.02 0.00 0.00 30.24 30.43 2g81 n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2g81 s ILE 176 N -1.62 5.04 0.59 5.09 -1.09 -1.25 -5.00 121.20 122.97 2g81 s ILE 176 Ca 0.00 0.38 0.05 0.00 -2.23 0.00 0.00 60.65 58.85 2g81 s ILE 176 Cb 0.02 -3.92 0.08 0.00 -1.58 0.00 0.00 42.46 37.06 2g81 s ILE 176 CO 0.12 -0.15 0.82 0.42 -1.23 0.00 0.00 174.94 174.91 2g81 s THR 177 N 2.33 2.32 -0.65 2.92 -4.23 -1.26 -4.96 115.64 112.11 2g81 s THR 177 Ca 0.18 -0.84 0.16 0.00 -1.18 0.00 0.00 61.69 60.01 2g81 s THR 177 Cb -0.16 -2.48 0.16 0.00 1.34 0.00 0.00 72.50 71.37 2g81 s THR 177 CO 0.13 0.00 1.50 -1.54 -0.54 0.00 0.00 174.62 174.17 2g81 n SER 178 N -2.37 0.34 -1.78 3.99 3.41 -1.26 -1.67 113.62 114.28 2g81 n SER 178 Ca 0.14 0.61 0.07 0.00 -0.26 0.00 0.00 58.87 59.43 2g81 n SER 178 Cb 0.61 -0.68 0.39 0.00 -0.26 0.00 0.00 64.21 64.27 2g81 n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2g81 n ASN 179 N -1.91 5.49 -4.19 4.04 3.02 -1.26 -4.91 115.26 115.54 2g81 n ASN 179 Ca 0.01 -2.88 -0.15 0.00 -0.03 0.00 0.00 54.58 51.53 2g81 n ASN 179 Cb 0.13 -0.66 -0.11 0.00 -0.61 0.00 0.00 39.78 38.53 2g81 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2g81 s MET 180 N -2.66 0.89 0.09 3.52 -1.94 -0.67 -0.58 119.30 117.93 2g81 s MET 180 Ca 0.53 -1.20 -0.06 0.00 -1.71 0.00 0.00 55.69 53.25 2g81 s MET 180 Cb 0.40 -0.57 -0.01 0.00 2.01 0.00 0.00 34.83 36.65 2g81 s MET 180 CO 0.16 0.09 0.14 -0.59 -0.01 0.00 0.00 175.02 174.81 2g81 s PHE 181 N -2.54 0.29 0.08 -0.03 -0.12 -0.03 -4.76 117.98 110.88 2g81 s PHE 181 Ca 0.07 -0.74 0.01 0.00 -0.05 0.00 0.00 56.93 56.22 2g81 s PHE 181 Cb -0.02 -0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.17 2g81 s PHE 181 CO 0.00 -0.51 0.20 0.00 -0.05 0.00 0.00 175.22 174.86 2g81 s ALA 183 N -1.54 -0.56 0.00 0.00 0.00 -0.78 -0.73 121.76 118.16 2g81 s ALA 183 Ca 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2g81 s ALA 183 Cb -0.12 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.26 2g81 s ALA 183 CO 0.27 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2g81 n GLY 184 N 0.75 0.24 2.78 0.00 0.00 -0.22 -2.88 105.19 105.86 2g81 n GLY 184 Ca -0.19 -1.68 -0.18 0.00 0.00 0.00 0.00 46.02 43.97 2g81 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2g81 s TYR 184 N -1.57 -0.08 0.40 1.61 1.51 -1.26 -4.26 117.35 113.69 2g81 s TYR 184 Ca 0.00 0.46 0.26 0.00 -1.01 0.00 0.00 57.07 56.78 2g81 s TYR 184 Cb 0.00 -0.33 1.39 0.00 -0.11 0.00 0.00 41.96 42.91 2g81 s TYR 184 CO 0.00 -0.23 2.05 -0.07 -1.11 0.00 0.00 175.55 176.19 2g81 h LEU 185 N 8.27 0.00 -0.03 -1.29 3.38 -1.95 -1.97 115.31 121.72 2g81 h LEU 185 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2g81 h LEU 185 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2g81 h LEU 185 CO 0.18 0.13 0.00 -1.84 0.09 0.00 0.00 178.44 177.00 2g81 n GLU 186 N -3.66 0.01 0.00 1.13 0.00 -1.26 0.32 120.64 117.18 2g81 n GLU 186 Ca -0.02 0.22 0.00 0.00 0.00 0.00 0.00 57.16 57.36 2g81 n GLU 186 Cb 0.25 -1.52 0.00 0.00 0.00 0.00 0.00 31.44 30.17 2g81 n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2g81 n GLY 187 N 0.24 -0.83 0.58 -1.84 0.00 -0.74 -4.46 105.19 98.14 2g81 n GLY 187 Ca 0.04 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2g81 n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g81 n GLY 188 N -0.92 2.85 2.70 -0.02 0.00 0.12 -4.92 105.19 105.00 2g81 n GLY 188 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2g81 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g81 s LYS 188 N -0.85 0.08 0.01 1.61 1.02 -1.26 -3.53 119.74 116.82 2g81 s LYS 188 Ca 0.00 0.31 -0.29 0.00 0.02 0.00 0.00 55.97 56.01 2g81 s LYS 188 Cb 0.00 -0.61 0.10 0.00 -0.52 0.00 0.00 37.83 36.81 2g81 s LYS 188 CO 0.00 -0.32 1.10 0.34 -0.92 0.00 0.00 175.35 175.55 2g81 s ASP 189 N 2.08 -0.16 0.61 2.83 3.68 -0.26 -4.21 116.67 121.24 2g81 s ASP 189 Ca 0.04 -0.18 -0.09 0.00 2.13 0.00 0.00 52.55 54.46 2g81 s ASP 189 Cb -0.12 0.30 -0.01 0.00 -1.45 0.00 0.00 42.92 41.64 2g81 s ASP 189 CO -0.03 -0.54 0.97 -0.94 0.13 0.00 0.00 175.17 174.76 2g81 s SER 190 N -2.75 5.84 0.32 -0.34 1.04 -1.26 0.20 113.70 116.76 2g81 s SER 190 Ca 0.11 1.06 -0.04 0.00 0.48 0.00 0.00 55.95 57.56 2g81 s SER 190 Cb 0.01 -2.07 0.02 0.00 0.10 0.00 0.00 66.02 64.07 2g81 s SER 190 CO -0.03 -1.00 0.50 0.00 0.98 0.00 0.00 173.24 173.68 2g81 n GLN 192 N -0.51 1.88 0.00 0.00 3.00 -1.26 -0.40 117.38 120.09 2g81 n GLN 192 Ca -0.01 0.68 0.00 0.00 -0.01 0.00 0.00 57.00 57.66 2g81 n GLN 192 Cb 0.53 -2.40 0.00 0.00 0.00 0.00 0.00 30.24 28.37 2g81 n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2g81 n GLY 193 N 3.02 1.57 0.07 1.08 0.00 -1.26 0.07 105.19 109.74 2g81 n GLY 193 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 2g81 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2g81 n ASP 194 N 0.00 0.72 -4.50 1.61 10.43 0.46 -3.79 116.55 121.48 2g81 n ASP 194 Ca 0.00 0.12 -0.43 0.00 2.57 0.00 0.00 54.79 57.06 2g81 n ASP 194 Cb 0.00 0.46 0.00 0.00 1.84 0.00 0.00 41.12 43.42 2g81 n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2g81 n SER 195 N -2.29 -0.18 0.00 -2.24 7.64 -1.26 -1.35 113.62 113.94 2g81 n SER 195 Ca 0.02 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.89 2g81 n SER 195 Cb 0.48 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 2g81 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2g81 n GLY 196 N 1.60 2.98 3.87 0.23 0.00 0.33 0.46 105.19 114.67 2g81 n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2g81 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2g81 s GLY 197 N -1.60 1.69 0.29 -0.02 0.00 -0.46 -3.25 107.32 103.97 2g81 s GLY 197 Ca 0.00 -0.97 -0.22 0.00 0.00 0.00 0.00 44.72 43.53 2g81 s GLY 197 CO 0.00 -0.28 0.84 2.56 0.00 0.00 0.00 173.10 176.22 2g81 s PRO 198 N -5.70 4.39 -0.28 2.90 0.04 -1.26 -0.96 135.00 134.13 2g81 s PRO 198 Ca 0.70 1.09 0.02 0.00 0.04 0.00 0.00 61.00 62.84 2g81 s PRO 198 Cb -0.07 -2.77 0.06 0.00 0.04 0.00 0.00 34.50 31.76 2g81 s PRO 198 CO 0.52 0.30 -0.08 0.08 0.04 0.00 0.00 177.00 177.87 2g81 s VAL 199 N -1.63 2.32 -0.15 -0.36 1.01 -0.19 -3.08 120.40 118.32 2g81 s VAL 199 Ca 0.48 -1.67 -0.02 0.00 0.00 0.00 0.00 61.98 60.77 2g81 s VAL 199 Cb -0.17 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 2g81 s VAL 199 CO 0.21 -0.10 -0.07 -0.69 0.00 0.00 0.00 175.10 174.45 2g81 s VAL 200 N 1.11 3.57 -0.09 2.92 1.01 0.16 -0.83 120.40 128.24 2g81 s VAL 200 Ca -0.06 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2g81 s VAL 200 Cb -0.20 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.66 2g81 s VAL 200 CO -0.05 0.50 -0.08 0.00 0.00 0.00 0.00 175.10 175.47 2g81 n SER 202 N 4.58 -0.08 -0.06 0.00 7.64 -1.26 -1.49 113.62 122.95 2g81 n SER 202 Ca -0.16 -1.12 -0.01 0.00 1.01 0.00 0.00 58.87 58.59 2g81 n SER 202 Cb 0.51 -2.40 -0.00 0.00 -1.01 0.00 0.00 64.21 61.30 2g81 n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2g81 n GLY 203 N -2.15 0.45 3.27 0.23 0.00 -1.26 -5.00 105.19 100.74 2g81 n GLY 203 Ca -0.27 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 2g81 n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g81 s LYS 204 N -0.79 1.78 -0.60 1.61 -0.14 -0.55 -3.91 119.74 117.13 2g81 s LYS 204 Ca 0.00 -0.90 -0.27 0.00 -1.36 0.00 0.00 55.97 53.44 2g81 s LYS 204 Cb 0.00 -1.79 0.01 0.00 -1.68 0.00 0.00 37.83 34.37 2g81 s LYS 204 CO 0.00 0.48 1.48 -1.17 -0.76 0.00 0.00 175.35 175.39 2g81 s LEU 209 N -0.78 3.34 -0.05 3.17 2.96 0.15 -0.48 118.68 127.00 2g81 s LEU 209 Ca 0.09 0.19 0.19 0.00 -0.22 0.00 0.00 54.13 54.39 2g81 s LEU 209 Cb -0.09 -2.88 -0.29 0.00 0.50 0.00 0.00 46.19 43.43 2g81 s LEU 209 CO 0.00 -1.86 0.38 0.00 -1.32 0.00 0.00 176.35 173.55 2g81 n GLN 210 N 8.88 0.65 -4.08 1.98 1.13 -0.01 -4.07 117.38 121.86 2g81 n GLN 210 Ca 0.12 -0.15 -0.07 0.00 -1.94 0.00 0.00 57.00 54.96 2g81 n GLN 210 Cb 0.50 -1.46 -0.10 0.00 0.11 0.00 0.00 30.24 29.28 2g81 n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2g81 s GLY 211 N -4.39 0.45 -0.10 1.08 0.00 -0.60 -0.99 107.32 102.78 2g81 s GLY 211 Ca -0.07 -1.18 0.02 0.00 0.00 0.00 0.00 44.72 43.49 2g81 s GLY 211 CO 0.80 -1.29 -0.17 -0.42 0.00 0.00 0.00 173.10 172.02 2g81 s ILE 212 N -3.83 1.62 0.04 0.90 1.01 -0.81 -1.02 121.20 119.10 2g81 s ILE 212 Ca 0.06 -0.73 -0.35 0.00 0.00 0.00 0.00 60.65 59.63 2g81 s ILE 212 Cb 0.07 -1.45 -0.13 0.00 0.01 0.00 0.00 42.46 40.96 2g81 s ILE 212 CO -0.10 0.46 1.68 0.52 0.00 0.00 0.00 174.94 177.51 2g81 n VAL 213 N 3.96 0.24 0.02 2.92 0.31 -0.14 -0.89 118.33 124.75 2g81 n VAL 213 Ca -0.20 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2g81 n VAL 213 Cb 0.52 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 2g81 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2g81 n SER 214 N 4.68 0.22 -3.33 4.52 2.88 -0.88 -0.51 113.62 121.21 2g81 n SER 214 Ca 0.20 0.06 -0.09 0.00 -1.33 0.00 0.00 58.87 57.71 2g81 n SER 214 Cb 0.27 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 2g81 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2g81 s TRP 215 N -1.26 0.08 0.00 0.66 1.48 -0.78 -4.89 118.94 114.23 2g81 s TRP 215 Ca 0.00 -0.64 0.00 0.00 -1.06 0.00 0.00 56.10 54.40 2g81 s TRP 215 Cb 0.00 0.70 0.00 0.00 -1.16 0.00 0.00 33.47 33.01 2g81 s TRP 215 CO 0.00 -1.40 0.00 0.41 -4.06 0.00 0.00 176.95 171.90 2g81 n GLY 216 N -0.50 -0.11 3.47 3.67 0.00 -1.26 -0.08 105.19 110.38 2g81 n GLY 216 Ca -0.06 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 2g81 n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2g81 s SER 217 N 0.00 6.26 0.95 1.61 0.15 -1.26 -4.89 113.70 116.51 2g81 s SER 217 Ca 0.00 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 55.90 2g81 s SER 217 Cb 0.00 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 2g81 s SER 217 CO 0.00 -1.12 0.00 0.61 1.20 0.00 0.00 173.24 173.93 2g81 n GLY 219 N 5.18 1.02 2.85 9.45 0.00 -1.26 -4.64 105.19 117.79 2g81 n GLY 219 Ca -0.03 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 2g81 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g81 n ALA 221 N 4.18 -0.30 -1.79 0.00 0.00 -1.26 -4.50 120.51 116.84 2g81 n ALA 221 Ca -0.27 0.25 -0.36 0.00 0.00 0.00 0.00 53.44 53.06 2g81 n ALA 221 Cb 0.51 -1.78 -0.06 0.00 0.00 0.00 0.00 19.45 18.13 2g81 n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2g81 s GLN 221 N -3.66 4.35 0.29 0.00 -1.52 -1.26 0.13 119.66 117.99 2g81 s GLN 221 Ca 0.00 1.37 -0.30 0.00 -1.95 0.00 0.00 55.36 54.48 2g81 s GLN 221 Cb 0.00 -2.59 -0.13 0.00 -0.22 0.00 0.00 33.01 30.08 2g81 s GLN 221 CO 0.00 0.06 1.36 1.17 -0.25 0.00 0.00 175.29 177.63 2g81 n LYS 222 N 0.09 2.13 -1.01 2.91 4.81 -1.26 -2.37 118.16 123.46 2g81 n LYS 222 Ca 0.04 0.75 -0.00 0.00 -0.87 0.00 0.00 58.31 58.23 2g81 n LYS 222 Cb 0.51 -2.38 -0.00 0.00 0.02 0.00 0.00 35.03 33.18 2g81 n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2g81 n ASN 223 N 1.47 -4.53 -3.35 3.14 3.02 0.15 -4.91 115.26 110.26 2g81 n ASN 223 Ca 0.08 0.01 -0.26 0.00 -0.03 0.00 0.00 54.58 54.38 2g81 n ASN 223 Cb 0.34 -2.04 -0.08 0.00 -0.61 0.00 0.00 39.78 37.38 2g81 n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2g81 n LYS 224 N -0.99 1.20 -1.53 3.52 5.02 -1.00 -4.71 118.16 119.66 2g81 n LYS 224 Ca -0.00 -3.71 -0.30 0.00 -2.02 0.00 0.00 58.31 52.28 2g81 n LYS 224 Cb 0.26 -1.66 0.10 0.00 -0.02 0.00 0.00 35.03 33.70 2g81 n LYS 224 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2g81 s PRO 225 N -1.33 1.99 0.51 1.97 0.04 -1.26 -4.33 135.00 132.59 2g81 s PRO 225 Ca 0.35 0.63 -0.19 0.00 0.04 0.00 0.00 61.00 61.84 2g81 s PRO 225 Cb 0.12 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.68 2g81 s PRO 225 CO -0.11 -1.69 1.03 0.20 0.04 0.00 0.00 177.00 176.48 2g81 s GLY 226 N -3.88 2.35 -0.03 0.56 0.00 -1.14 -4.64 107.32 100.53 2g81 s GLY 226 Ca 0.61 0.49 0.02 0.00 0.00 0.00 0.00 44.72 45.84 2g81 s GLY 226 CO 0.54 0.80 -0.06 0.14 0.00 0.00 0.00 173.10 174.52 2g81 s VAL 227 N -2.19 3.70 0.02 1.40 1.01 0.88 -1.86 120.40 123.36 2g81 s VAL 227 Ca 0.65 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2g81 s VAL 227 Cb -0.15 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 2g81 s VAL 227 CO 0.25 0.50 -0.07 -0.31 0.00 0.00 0.00 175.10 175.47 2g81 s TYR 228 N -0.91 0.60 0.18 5.22 2.02 0.75 -1.87 117.35 123.34 2g81 s TYR 228 Ca 0.15 -0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.22 2g81 s TYR 228 Cb -0.11 -0.37 -0.08 0.00 -0.40 0.00 0.00 41.96 41.00 2g81 s TYR 228 CO 0.05 -0.05 1.21 0.99 -1.57 0.00 0.00 175.55 176.17 2g81 s THR 229 N -0.86 3.56 -0.84 -0.71 2.01 -0.07 -0.85 115.64 117.89 2g81 s THR 229 Ca -0.05 1.30 -0.22 0.00 0.31 0.00 0.00 61.69 63.04 2g81 s THR 229 Cb -0.07 -3.83 0.09 0.00 0.01 0.00 0.00 72.50 68.70 2g81 s THR 229 CO 0.00 0.20 1.15 -0.75 -0.69 0.00 0.00 174.62 174.53 2g81 s LYS 230 N -0.19 3.40 0.43 4.92 2.20 0.25 -1.93 119.74 128.82 2g81 s LYS 230 Ca 0.53 -1.20 0.10 0.00 -0.36 0.00 0.00 55.97 55.04 2g81 s LYS 230 Cb -0.33 -4.71 0.95 0.00 -1.51 0.00 0.00 37.83 32.23 2g81 s LYS 230 CO 0.36 -1.90 2.06 0.28 -0.36 0.00 0.00 175.35 175.79 2g81 h VAL 231 N 6.08 1.09 0.00 4.02 2.07 -1.35 -2.39 116.25 125.77 2g81 h VAL 231 Ca -0.02 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2g81 h VAL 231 Cb 1.04 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2g81 h VAL 231 CO 1.21 0.10 -0.01 0.00 0.02 0.00 0.00 177.57 178.89 2g81 n ASN 233 N -3.17 0.00 -0.02 0.00 3.02 -0.90 -3.71 115.26 110.48 2g81 n ASN 233 Ca -0.02 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 2g81 n ASN 233 Cb 0.13 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 2g81 n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2g81 n TYR 234 N -1.33 0.00 -0.25 3.10 4.01 0.28 -4.77 117.16 118.21 2g81 n TYR 234 Ca 0.11 -0.11 -0.04 0.00 -0.16 0.00 0.00 57.90 57.69 2g81 n TYR 234 Cb 0.21 -0.01 0.07 0.00 -0.31 0.00 0.00 39.34 39.30 2g81 n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2g81 h VAL 235 N 0.10 1.13 -0.48 -0.72 2.07 -1.63 0.18 116.25 116.89 2g81 h VAL 235 Ca 0.00 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2g81 h VAL 235 Cb 0.13 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 2g81 h VAL 235 CO 0.00 0.16 0.27 0.28 0.02 0.00 0.00 177.57 178.30 2g81 h SER 236 N 0.89 0.60 -0.67 0.57 0.02 -1.87 0.10 113.55 113.20 2g81 h SER 236 Ca 0.27 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.07 2g81 h SER 236 Cb -0.03 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 2g81 h SER 236 CO -0.09 0.51 0.14 -0.25 -1.14 0.00 0.00 176.83 176.01 2g81 h TRP 237 N 0.64 1.14 -0.33 3.45 7.01 -1.72 -0.02 115.95 126.12 2g81 h TRP 237 Ca 0.17 -0.14 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 2g81 h TRP 237 Cb 0.04 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 26.77 2g81 h TRP 237 CO -0.02 0.94 0.17 0.82 -2.79 0.00 0.00 178.44 177.56 2g81 h ILE 238 N 1.00 1.15 -0.43 2.65 2.04 -0.23 0.86 117.51 124.54 2g81 h ILE 238 Ca 0.21 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 2g81 h ILE 238 Cb 0.39 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2g81 h ILE 238 CO 0.01 0.15 0.03 0.11 0.00 0.00 0.00 178.15 178.45 2g81 h LYS 239 N 0.40 0.74 -0.74 2.37 1.57 -0.66 0.04 116.57 120.28 2g81 h LYS 239 Ca 0.11 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 2g81 h LYS 239 Cb 0.08 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2g81 h LYS 239 CO -0.02 0.80 0.27 0.37 -0.57 0.00 0.00 179.45 180.30 2g81 h GLN 240 N 0.59 1.13 -0.23 3.15 5.75 -0.86 -0.99 115.11 123.65 2g81 h GLN 240 Ca 0.13 -0.22 -0.04 0.00 -0.15 0.00 0.00 58.65 58.37 2g81 h GLN 240 Cb 0.44 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 2g81 h GLN 240 CO 0.02 0.93 -0.03 1.15 -2.65 0.00 0.00 178.83 178.25 2g81 h THR 241 N 1.09 1.27 -0.38 2.39 2.02 -0.46 -2.06 112.91 116.78 2g81 h THR 241 Ca 0.25 -0.98 -0.04 0.00 0.77 0.00 0.00 66.41 66.40 2g81 h THR 241 Cb 0.25 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 2g81 h THR 241 CO -0.02 0.30 0.06 0.40 0.37 0.00 0.00 175.52 176.64 2g81 h ILE 242 N 0.18 1.19 0.00 3.11 2.04 -0.85 -1.16 117.51 122.02 2g81 h ILE 242 Ca 0.06 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 2g81 h ILE 242 Cb 0.47 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2g81 h ILE 242 CO 0.02 0.25 -0.20 0.00 0.00 0.00 0.00 178.15 178.22 2g81 h ALA 243 N 1.51 1.11 -0.01 1.87 0.00 -0.93 -3.17 119.26 119.64 2g81 h ALA 243 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2g81 h ALA 243 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2g81 h ALA 243 CO 0.00 0.25 -0.14 0.43 0.00 0.00 0.00 179.25 179.79 2g81 n SER 244 N -3.49 1.81 0.00 0.00 7.64 -0.75 -5.09 113.62 113.74 2g81 n SER 244 Ca -0.01 -1.41 0.00 0.00 1.01 0.00 0.00 58.87 58.47 2g81 n SER 244 Cb 0.36 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2g81 n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62