#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g72 s THR 2 N 0.00 0.71 -0.34 -5.08 -4.23 -1.26 -5.05 115.64 100.40 3g72 s THR 2 Ca 0.00 -1.99 0.07 0.00 -1.18 0.00 0.00 61.69 58.60 3g72 s THR 2 Cb 0.00 -2.13 0.50 0.00 1.34 0.00 0.00 72.50 72.21 3g72 s THR 2 CO 0.00 -0.47 1.50 0.18 -0.54 0.00 0.00 174.62 175.29 3g72 n LEU 3 N -0.25 4.72 0.00 4.79 4.77 -1.26 -4.94 117.00 124.82 3g72 n LEU 3 Ca -0.06 -3.97 0.00 0.00 -0.03 0.00 0.00 56.01 51.94 3g72 n LEU 3 Cb 0.63 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3g72 n LEU 3 CO 0.34 1.41 0.00 0.61 -1.33 0.00 0.00 177.39 178.41 3g72 n GLY 4 N -1.05 0.45 0.53 -0.72 0.00 -1.26 -4.88 105.19 98.25 3g72 n GLY 4 Ca 0.39 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.46 3g72 n GLY 4 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3g72 n ASN 5 N -0.21 1.23 -4.74 1.61 5.15 -1.26 -4.52 115.26 112.52 3g72 n ASN 5 Ca 0.00 -2.67 -0.38 0.00 -0.60 0.00 0.00 54.58 50.93 3g72 n ASN 5 Cb 0.11 -0.35 -0.06 0.00 -0.53 0.00 0.00 39.78 38.95 3g72 n ASN 5 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3g72 s THR 6 N -1.49 5.17 0.24 -0.44 2.01 -1.26 -4.82 115.64 115.04 3g72 s THR 6 Ca 0.22 0.91 0.04 0.00 0.31 0.00 0.00 61.69 63.17 3g72 s THR 6 Cb 0.21 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 3g72 s THR 6 CO -0.03 0.37 -0.00 0.42 -0.69 0.00 0.00 174.62 174.69 3g72 s THR 7 N 0.36 1.06 0.06 -0.82 -4.23 -1.26 -0.08 115.64 110.73 3g72 s THR 7 Ca 0.25 -2.04 0.04 0.00 -1.18 0.00 0.00 61.69 58.76 3g72 s THR 7 Cb -0.15 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.29 3g72 s THR 7 CO 0.10 -0.31 -0.11 -0.55 -0.54 0.00 0.00 174.62 173.21 3g72 s SER 8 N -3.32 1.33 0.05 3.99 0.15 -0.57 -4.99 113.70 110.34 3g72 s SER 8 Ca 0.29 -0.61 -0.02 0.00 0.70 0.00 0.00 55.95 56.31 3g72 s SER 8 Cb 0.06 -0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.32 3g72 s SER 8 CO 0.09 -0.15 -0.01 -0.94 1.20 0.00 0.00 173.24 173.43 3g72 s SER 9 N -1.75 0.42 -0.06 5.45 1.04 -1.26 0.98 113.70 118.51 3g72 s SER 9 Ca -0.04 -0.89 0.01 0.00 0.48 0.00 0.00 55.95 55.51 3g72 s SER 9 Cb -0.09 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.24 3g72 s SER 9 CO 0.01 -0.56 -0.08 -0.69 0.98 0.00 0.00 173.24 172.90 3g72 s VAL 10 N -3.52 0.83 0.11 5.02 1.01 0.45 -4.38 120.40 119.93 3g72 s VAL 10 Ca 0.03 -0.28 -0.26 0.00 0.00 0.00 0.00 61.98 61.47 3g72 s VAL 10 Cb 0.05 -0.81 -0.07 0.00 0.00 0.00 0.00 36.38 35.55 3g72 s VAL 10 CO -0.09 0.30 0.81 -0.63 0.00 0.00 0.00 175.10 175.49 3g72 s ILE 11 N 0.92 4.52 0.07 2.22 -1.09 -1.26 -0.66 121.20 125.92 3g72 s ILE 11 Ca -0.10 1.76 0.06 0.00 -2.23 0.00 0.00 60.65 60.13 3g72 s ILE 11 Cb -0.15 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.52 3g72 s ILE 11 CO 0.01 0.42 -0.08 -0.76 -1.23 0.00 0.00 174.94 173.30 3g72 s LEU 12 N -0.51 3.13 -0.16 2.97 1.43 -0.09 -4.37 118.68 121.10 3g72 s LEU 12 Ca 0.39 -0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 53.13 3g72 s LEU 12 Cb -0.22 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 3g72 s LEU 12 CO 0.26 0.21 0.12 -0.89 0.23 0.00 0.00 176.35 176.28 3g72 s THR 13 N -1.15 5.36 -0.42 5.49 2.01 0.70 -1.67 115.64 125.97 3g72 s THR 13 Ca 0.21 0.16 -0.13 0.00 0.31 0.00 0.00 61.69 62.24 3g72 s THR 13 Cb -0.11 -3.38 0.05 0.00 0.01 0.00 0.00 72.50 69.06 3g72 s THR 13 CO 0.12 0.53 0.29 0.21 -0.69 0.00 0.00 174.62 175.08 3g72 s ASN 14 N -0.36 5.91 -0.37 3.53 3.04 -1.26 -1.97 114.94 123.48 3g72 s ASN 14 Ca 0.11 -1.14 -0.17 0.00 0.04 0.00 0.00 52.86 51.70 3g72 s ASN 14 Cb -0.12 -2.09 0.00 0.00 -1.54 0.00 0.00 41.25 37.50 3g72 s ASN 14 CO 0.01 -0.49 0.42 -0.47 -3.04 0.00 0.00 177.10 173.53 3g72 s TYR 15 N 1.58 3.19 -0.96 0.43 5.04 0.13 -4.56 117.35 122.20 3g72 s TYR 15 Ca 0.03 -0.08 -0.05 0.00 -2.44 0.00 0.00 57.07 54.53 3g72 s TYR 15 Cb -0.21 -2.80 0.04 0.00 0.35 0.00 0.00 41.96 39.34 3g72 s TYR 15 CO 0.07 -0.54 0.23 0.00 -1.34 0.00 0.00 175.55 173.97 3g72 n MET 16 N 5.54 -2.77 -1.18 4.97 0.00 -1.26 -1.27 117.12 121.15 3g72 n MET 16 Ca -0.07 0.38 -0.06 0.00 0.00 0.00 0.00 57.70 57.95 3g72 n MET 16 Cb 0.49 -5.00 -0.03 0.00 0.00 0.00 0.00 33.22 28.68 3g72 n MET 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3g72 n ASP 17 N -1.97 -4.94 0.00 3.17 8.00 -1.26 -4.78 116.55 114.76 3g72 n ASP 17 Ca -0.04 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.61 3g72 n ASP 17 Cb 0.55 -2.99 0.00 0.00 -0.02 0.00 0.00 41.12 38.66 3g72 n ASP 17 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3g72 n THR 18 N -2.42 0.00 -3.75 -3.53 -2.24 -0.40 -4.79 114.28 97.15 3g72 n THR 18 Ca -0.06 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.47 3g72 n THR 18 Cb 0.40 0.41 -0.17 0.00 -2.10 0.00 0.00 70.33 68.87 3g72 n THR 18 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3g72 s GLN 19 N -1.84 0.62 -0.20 -0.78 -0.21 -0.92 -4.38 119.66 111.94 3g72 s GLN 19 Ca 0.00 -0.12 -0.02 0.00 0.02 0.00 0.00 55.36 55.24 3g72 s GLN 19 Cb 0.00 -1.48 0.00 0.00 1.00 0.00 0.00 33.01 32.54 3g72 s GLN 19 CO 0.00 -0.45 -0.10 0.71 -2.12 0.00 0.00 175.29 173.33 3g72 s TYR 20 N 1.93 2.89 0.01 0.91 2.02 -1.26 0.18 117.35 124.03 3g72 s TYR 20 Ca 0.03 -1.15 -0.13 0.00 -0.37 0.00 0.00 57.07 55.45 3g72 s TYR 20 Cb -0.14 -2.03 0.02 0.00 -0.40 0.00 0.00 41.96 39.40 3g72 s TYR 20 CO -0.07 -0.61 0.27 1.52 -1.57 0.00 0.00 175.55 175.09 3g72 s TYR 21 N 1.35 -0.10 0.02 2.71 1.13 -0.83 -4.34 117.35 117.28 3g72 s TYR 21 Ca 0.04 0.07 0.00 0.00 -1.41 0.00 0.00 57.07 55.78 3g72 s TYR 21 Cb -0.14 0.06 -0.00 0.00 -1.10 0.00 0.00 41.96 40.78 3g72 s TYR 21 CO -0.06 -0.40 0.01 0.41 -2.51 0.00 0.00 175.55 173.00 3g72 n GLY 22 N 1.08 4.00 3.69 5.49 0.00 -0.29 -0.21 105.19 118.95 3g72 n GLY 22 Ca -0.21 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 3g72 n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g72 s GLU 23 N -2.06 2.95 0.31 1.61 2.02 -1.26 -0.08 118.70 122.18 3g72 s GLU 23 Ca 0.02 -0.46 0.08 0.00 0.02 0.00 0.00 54.97 54.63 3g72 s GLU 23 Cb 0.00 -2.77 -0.06 0.00 0.10 0.00 0.00 34.13 31.40 3g72 s GLU 23 CO 0.01 0.68 -0.08 0.96 0.02 0.00 0.00 175.26 176.85 3g72 s ILE 24 N -0.96 1.95 -0.03 -1.63 -4.36 0.26 -4.72 121.20 111.71 3g72 s ILE 24 Ca 0.16 -2.18 0.02 0.00 -0.26 0.00 0.00 60.65 58.39 3g72 s ILE 24 Cb -0.11 -2.52 -0.03 0.00 1.25 0.00 0.00 42.46 41.05 3g72 s ILE 24 CO 0.05 -0.27 -0.08 -0.83 0.24 0.00 0.00 174.94 174.05 3g72 s GLY 25 N -3.52 1.70 -0.06 6.27 0.00 -0.85 -0.98 107.32 109.89 3g72 s GLY 25 Ca 0.31 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 44.11 3g72 s GLY 25 CO 0.14 -0.78 -0.18 -0.42 0.00 0.00 0.00 173.10 171.86 3g72 s ILE 26 N -0.88 1.54 0.00 0.90 1.01 -0.19 -0.40 121.20 123.18 3g72 s ILE 26 Ca 0.14 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3g72 s ILE 26 Cb -0.11 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.03 3g72 s ILE 26 CO 0.04 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.03 3g72 n GLY 27 N 3.27 -3.70 3.01 6.18 0.00 0.17 0.41 105.19 114.53 3g72 n GLY 27 Ca -0.19 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.57 3g72 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g72 s THR 28 N -0.94 1.70 0.76 2.61 2.01 -1.26 -2.34 115.64 118.19 3g72 s THR 28 Ca 0.00 -1.01 -0.11 0.00 0.31 0.00 0.00 61.69 60.87 3g72 s THR 28 Cb 0.00 -1.75 0.05 0.00 0.01 0.00 0.00 72.50 70.81 3g72 s THR 28 CO 0.00 0.21 1.08 -2.16 -0.69 0.00 0.00 174.62 173.06 3g72 s PRO 29 N 1.38 2.36 0.30 4.92 0.04 -1.26 -1.37 135.00 141.37 3g72 s PRO 29 Ca -0.01 0.76 -0.30 0.00 0.04 0.00 0.00 61.00 61.50 3g72 s PRO 29 Cb -0.16 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 3g72 s PRO 29 CO -0.09 -1.46 1.55 -2.14 0.04 0.00 0.00 177.00 174.91 3g72 s PRO 30 N -5.11 4.14 -0.25 0.56 0.02 -0.99 -4.92 135.00 128.47 3g72 s PRO 30 Ca 0.60 2.53 -0.12 0.00 0.02 0.00 0.00 61.00 64.03 3g72 s PRO 30 Cb -0.14 -3.03 -0.05 0.00 0.02 0.00 0.00 34.50 31.30 3g72 s PRO 30 CO 0.55 -0.58 0.23 -0.65 -0.33 0.00 0.00 177.00 176.22 3g72 s GLN 31 N -0.78 4.05 -0.01 5.54 -0.21 0.17 -4.83 119.66 123.60 3g72 s GLN 31 Ca 0.61 -0.17 -0.21 0.00 0.02 0.00 0.00 55.36 55.60 3g72 s GLN 31 Cb -0.47 -3.58 -0.05 0.00 1.00 0.00 0.00 33.01 29.91 3g72 s GLN 31 CO 0.50 -0.05 0.62 0.99 -2.12 0.00 0.00 175.29 175.23 3g72 s THR 32 N 1.37 4.90 0.01 -0.19 2.01 -1.26 -1.02 115.64 121.47 3g72 s THR 32 Ca 0.10 1.30 0.04 0.00 0.31 0.00 0.00 61.69 63.43 3g72 s THR 32 Cb -0.15 -3.96 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 3g72 s THR 32 CO 0.07 0.40 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.92 3g72 s PHE 33 N -0.09 1.01 -0.11 4.92 0.08 -0.15 -4.98 117.98 118.66 3g72 s PHE 33 Ca 0.32 -0.26 -0.19 0.00 0.12 0.00 0.00 56.93 56.91 3g72 s PHE 33 Cb -0.18 -0.62 -0.04 0.00 -0.57 0.00 0.00 43.02 41.60 3g72 s PHE 33 CO 0.18 -0.00 0.53 0.15 -0.10 0.00 0.00 175.22 175.97 3g72 s LYS 34 N -0.67 4.35 -0.00 0.44 1.02 -1.26 -0.58 119.74 123.04 3g72 s LYS 34 Ca 0.02 0.54 -0.03 0.00 0.02 0.00 0.00 55.97 56.52 3g72 s LYS 34 Cb -0.06 -3.45 -0.00 0.00 -0.52 0.00 0.00 37.83 33.80 3g72 s LYS 34 CO 0.00 0.11 0.05 0.14 -0.92 0.00 0.00 175.35 174.74 3g72 s VAL 35 N 0.74 0.06 0.09 3.17 -7.23 0.89 -0.06 120.40 118.06 3g72 s VAL 35 Ca 0.28 -0.47 -0.23 0.00 -1.81 0.00 0.00 61.98 59.76 3g72 s VAL 35 Cb -0.16 -0.24 -0.07 0.00 0.56 0.00 0.00 36.38 36.48 3g72 s VAL 35 CO 0.12 -0.26 0.68 -0.69 -0.31 0.00 0.00 175.10 174.64 3g72 s VAL 36 N -0.81 4.62 -0.38 1.32 1.01 -0.80 -1.14 120.40 124.22 3g72 s VAL 36 Ca -0.09 1.47 -0.14 0.00 0.00 0.00 0.00 61.98 63.23 3g72 s VAL 36 Cb -0.05 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.31 3g72 s VAL 36 CO 0.00 0.50 0.26 -0.36 0.00 0.00 0.00 175.10 175.50 3g72 s PHE 37 N -0.84 3.23 -0.30 5.22 0.40 -1.26 -0.03 117.98 124.40 3g72 s PHE 37 Ca 0.33 -0.51 0.00 0.00 -0.60 0.00 0.00 56.93 56.16 3g72 s PHE 37 Cb -0.21 -2.53 0.06 0.00 0.51 0.00 0.00 43.02 40.86 3g72 s PHE 37 CO 0.22 -0.52 -0.01 0.34 0.70 0.00 0.00 175.22 175.95 3g72 s ASP 38 N 1.68 4.77 0.00 1.36 2.15 0.36 -4.26 116.67 122.72 3g72 s ASP 38 Ca 0.05 -1.47 0.20 0.00 0.43 0.00 0.00 52.55 51.76 3g72 s ASP 38 Cb -0.18 -1.66 0.93 0.00 -0.30 0.00 0.00 42.92 41.71 3g72 s ASP 38 CO 0.10 -0.27 1.65 0.35 -0.17 0.00 0.00 175.17 176.82 3g72 n THR 39 N 4.52 0.51 0.66 1.71 -2.24 -1.26 0.50 114.28 118.68 3g72 n THR 39 Ca -0.11 0.13 0.07 0.00 -2.27 0.00 0.00 64.05 61.88 3g72 n THR 39 Cb 0.43 -0.78 0.21 0.00 -2.10 0.00 0.00 70.33 68.08 3g72 n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g72 n GLY 40 N 0.53 0.99 3.46 3.38 0.00 -1.26 -3.86 105.19 108.44 3g72 n GLY 40 Ca 0.07 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 3g72 n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g72 s SER 41 N -1.06 -0.10 0.00 1.61 1.04 -1.16 -4.99 113.70 109.04 3g72 s SER 41 Ca 0.30 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.00 3g72 s SER 41 Cb 0.16 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.80 3g72 s SER 41 CO 0.21 -1.00 0.50 -1.20 0.98 0.00 0.00 173.24 172.73 3g72 n SER 42 N -0.29 0.63 -4.57 7.02 7.64 -1.26 -0.44 113.62 122.35 3g72 n SER 42 Ca -0.07 -1.24 -0.26 0.00 1.01 0.00 0.00 58.87 58.31 3g72 n SER 42 Cb 0.63 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.73 3g72 n SER 42 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3g72 s ASN 43 N -0.24 4.20 -0.15 6.43 -0.87 -1.26 -4.36 114.94 118.69 3g72 s ASN 43 Ca 0.00 -0.64 -0.17 0.00 -1.57 0.00 0.00 52.86 50.48 3g72 s ASN 43 Cb 0.00 -0.68 -0.04 0.00 -0.02 0.00 0.00 41.25 40.51 3g72 s ASN 43 CO 0.00 0.08 0.44 -0.69 -2.57 0.00 0.00 177.10 174.37 3g72 s VAL 44 N -1.85 5.20 -0.03 1.60 1.01 -1.26 -0.96 120.40 124.11 3g72 s VAL 44 Ca 0.26 0.85 0.04 0.00 0.00 0.00 0.00 61.98 63.13 3g72 s VAL 44 Cb -0.08 -3.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 3g72 s VAL 44 CO 0.16 0.31 -0.14 0.26 0.00 0.00 0.00 175.10 175.69 3g72 s TRP 45 N 0.81 1.36 0.09 5.22 0.52 0.26 -0.26 118.94 126.94 3g72 s TRP 45 Ca 0.23 -0.34 -0.00 0.00 0.02 0.00 0.00 56.10 56.01 3g72 s TRP 45 Cb -0.15 -0.92 -0.04 0.00 -1.15 0.00 0.00 33.47 31.21 3g72 s TRP 45 CO 0.09 -0.11 -0.02 0.14 0.02 0.00 0.00 176.95 177.07 3g72 s VAL 46 N 0.00 0.35 0.38 4.03 -7.23 -0.76 -1.16 120.40 116.02 3g72 s VAL 46 Ca -0.01 -1.88 -0.26 0.00 -1.81 0.00 0.00 61.98 58.02 3g72 s VAL 46 Cb -0.09 -1.74 -0.09 0.00 0.56 0.00 0.00 36.38 35.03 3g72 s VAL 46 CO 0.01 -0.80 1.18 -2.84 -0.31 0.00 0.00 175.10 172.34 3g72 s PRO 47 N -3.93 4.12 0.13 4.82 0.02 -1.26 -0.60 135.00 138.30 3g72 s PRO 47 Ca 0.14 1.88 -0.18 0.00 0.02 0.00 0.00 61.00 62.85 3g72 s PRO 47 Cb 0.07 -2.75 -0.07 0.00 0.02 0.00 0.00 34.50 31.77 3g72 s PRO 47 CO -0.05 -0.27 0.61 0.45 -0.33 0.00 0.00 177.00 177.41 3g72 s SER 48 N -1.04 7.02 0.56 2.53 0.15 0.16 0.87 113.70 123.96 3g72 s SER 48 Ca 0.55 1.27 0.27 0.00 0.70 0.00 0.00 55.95 58.74 3g72 s SER 48 Cb -0.32 -2.36 1.51 0.00 -1.71 0.00 0.00 66.02 63.14 3g72 s SER 48 CO 0.40 0.18 2.02 0.77 1.20 0.00 0.00 173.24 177.81 3g72 h SER 49 N 4.04 0.00 -0.04 5.45 4.64 -1.16 -1.29 113.55 125.19 3g72 h SER 49 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3g72 h SER 49 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3g72 h SER 49 CO 0.65 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.90 3g72 n LYS 50 N -4.03 1.15 -2.32 4.77 5.02 -1.26 -4.81 118.16 116.68 3g72 n LYS 50 Ca 0.06 -0.23 -0.42 0.00 -2.02 0.00 0.00 58.31 55.70 3g72 n LYS 50 Cb 0.49 -1.26 -0.03 0.00 -0.02 0.00 0.00 35.03 34.21 3g72 n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g72 s SER 52 N 1.24 6.29 0.07 0.00 0.15 -1.26 -4.88 113.70 115.32 3g72 s SER 52 Ca 0.61 2.53 0.05 0.00 0.70 0.00 0.00 55.95 59.84 3g72 s SER 52 Cb -0.32 -2.63 0.25 0.00 -1.71 0.00 0.00 66.02 61.61 3g72 s SER 52 CO 0.28 -0.85 1.12 0.54 1.20 0.00 0.00 173.24 175.53 3g72 n ARG 53 N -0.02 0.03 0.26 5.44 5.12 -1.26 -0.94 116.66 125.29 3g72 n ARG 53 Ca 0.05 0.51 0.09 0.00 -1.93 0.00 0.00 57.85 56.57 3g72 n ARG 53 Cb 0.45 -1.62 0.68 0.00 -1.16 0.00 0.00 32.46 30.81 3g72 n ARG 53 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3g72 h LEU 54 N 0.00 0.00 -8.48 0.55 5.85 -1.98 -3.39 115.31 107.86 3g72 h LEU 54 Ca 0.00 0.00 -0.67 0.00 0.84 0.00 0.00 57.88 58.05 3g72 h LEU 54 Cb 0.05 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 40.91 3g72 h LEU 54 CO 0.00 0.07 0.09 -0.31 -0.34 0.00 0.00 178.44 177.95 3g72 s TYR 55 N -4.73 3.04 0.33 1.25 2.02 -0.12 -4.90 117.35 114.25 3g72 s TYR 55 Ca -0.04 -0.31 0.20 0.00 -0.37 0.00 0.00 57.07 56.55 3g72 s TYR 55 Cb 0.16 -3.45 0.99 0.00 -0.40 0.00 0.00 41.96 39.25 3g72 s TYR 55 CO 0.64 -0.97 1.90 1.79 -1.57 0.00 0.00 175.55 177.34 3g72 h THR 56 N 5.87 0.89 0.00 -0.71 1.35 -1.86 -0.79 112.91 117.66 3g72 h THR 56 Ca -0.26 -1.03 -0.05 0.00 -0.55 0.00 0.00 66.41 64.51 3g72 h THR 56 Cb 1.09 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.12 3g72 h THR 56 CO 0.93 0.26 -0.23 0.00 -0.25 0.00 0.00 175.52 176.24 3g72 h ALA 57 N 1.73 1.38 0.13 6.62 0.00 -1.86 -2.94 119.26 124.33 3g72 h ALA 57 Ca -0.00 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 3g72 h ALA 57 Cb 0.59 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.37 3g72 h ALA 57 CO 0.03 0.28 -0.84 0.00 0.00 0.00 0.00 179.25 178.72 3g72 h VAL 59 N -0.28 0.84 -0.60 0.00 -1.51 -1.21 -1.98 116.25 111.50 3g72 h VAL 59 Ca -0.14 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 3g72 h VAL 59 Cb 1.64 -0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 3g72 h VAL 59 CO 0.16 0.14 0.00 -1.22 -1.23 0.00 0.00 177.57 175.42 3g72 n TYR 60 N -4.60 0.80 -4.36 5.19 0.53 -1.12 -4.90 117.16 108.71 3g72 n TYR 60 Ca 0.19 -0.40 -0.27 0.00 -1.02 0.00 0.00 57.90 56.39 3g72 n TYR 60 Cb 0.46 0.00 -0.11 0.00 -1.03 0.00 0.00 39.34 38.66 3g72 n TYR 60 CO 0.00 0.00 0.00 -1.01 -1.02 0.00 0.00 176.86 174.83 3g72 s HIS 61 N -1.20 2.45 0.25 -0.72 3.76 -0.75 -5.09 115.29 113.99 3g72 s HIS 61 Ca 0.43 -0.30 -0.31 0.00 -0.15 0.00 0.00 55.06 54.72 3g72 s HIS 61 Cb 0.22 -1.23 -0.13 0.00 1.11 0.00 0.00 32.58 32.56 3g72 s HIS 61 CO 0.30 0.47 1.49 1.17 -0.85 0.00 0.00 174.74 177.32 3g72 n LYS 62 N 0.34 2.26 -4.90 1.40 0.00 -1.26 -4.94 118.16 111.05 3g72 n LYS 62 Ca -0.13 0.80 -0.33 0.00 0.00 0.00 0.00 58.31 58.66 3g72 n LYS 62 Cb 0.55 -2.51 -0.14 0.00 0.00 0.00 0.00 35.03 32.93 3g72 n LYS 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3g72 s LEU 63 N 0.05 2.68 -0.16 3.14 1.43 -1.26 -4.35 118.68 120.22 3g72 s LEU 63 Ca 0.68 -0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 53.25 3g72 s LEU 63 Cb -0.60 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 3g72 s LEU 63 CO 0.48 0.31 1.07 0.12 0.23 0.00 0.00 176.35 178.56 3g72 s PHE 64 N -0.53 3.33 -0.59 0.29 5.36 0.25 -4.63 117.98 121.47 3g72 s PHE 64 Ca 0.07 1.44 -0.10 0.00 -0.96 0.00 0.00 56.93 57.38 3g72 s PHE 64 Cb -0.12 -3.28 0.15 0.00 -0.34 0.00 0.00 43.02 39.43 3g72 s PHE 64 CO 0.01 -0.61 0.48 0.34 -1.46 0.00 0.00 175.22 173.98 3g72 s ASP 65 N 1.28 5.90 0.25 6.13 -1.08 -1.26 -0.68 116.67 127.21 3g72 s ASP 65 Ca 0.48 -2.27 -0.04 0.00 -0.52 0.00 0.00 52.55 50.21 3g72 s ASP 65 Cb -0.18 -2.05 0.40 0.00 -1.46 0.00 0.00 42.92 39.64 3g72 s ASP 65 CO 0.13 -0.62 1.82 0.00 0.52 0.00 0.00 175.17 177.02 3g72 h ALA 66 N 8.06 1.20 -0.01 3.66 0.00 -1.95 -1.12 119.26 129.10 3g72 h ALA 66 Ca -0.11 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3g72 h ALA 66 Cb 1.04 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3g72 h ALA 66 CO 0.83 0.13 0.03 0.66 0.00 0.00 0.00 179.25 180.89 3g72 h SER 67 N 0.83 0.00 -0.00 0.00 4.64 -2.01 -0.62 113.55 116.39 3g72 h SER 67 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3g72 h SER 67 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3g72 h SER 67 CO -0.24 0.00 -0.00 0.47 -0.87 0.00 0.00 176.83 176.19 3g72 n ASP 68 N -3.51 0.80 -4.33 4.97 8.00 -0.42 -4.83 116.55 117.23 3g72 n ASP 68 Ca -0.03 -1.26 -0.34 0.00 0.71 0.00 0.00 54.79 53.87 3g72 n ASP 68 Cb 0.10 -0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.06 3g72 n ASP 68 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3g72 s SER 69 N -2.00 4.06 0.28 -2.24 0.15 -0.24 -4.43 113.70 109.28 3g72 s SER 69 Ca 0.42 -0.37 0.26 0.00 0.70 0.00 0.00 55.95 56.96 3g72 s SER 69 Cb 0.21 -1.65 0.85 0.00 -1.71 0.00 0.00 66.02 63.72 3g72 s SER 69 CO 0.35 0.08 1.75 0.77 1.20 0.00 0.00 173.24 177.40 3g72 h SER 70 N 7.34 0.00 -0.02 5.45 4.64 -1.52 -3.06 113.55 126.38 3g72 h SER 70 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3g72 h SER 70 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3g72 h SER 70 CO 0.58 0.00 -0.09 -1.54 -0.87 0.00 0.00 176.83 174.91 3g72 n SER 71 N -2.41 2.62 -4.76 4.97 3.41 -1.26 -4.99 113.62 111.19 3g72 n SER 71 Ca 0.04 -1.81 -0.41 0.00 -0.26 0.00 0.00 58.87 56.43 3g72 n SER 71 Cb 0.38 0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 3g72 n SER 71 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3g72 s TYR 72 N -1.91 3.01 -0.12 7.33 6.14 -1.16 -4.53 117.35 126.10 3g72 s TYR 72 Ca 0.23 1.27 0.01 0.00 0.64 0.00 0.00 57.07 59.22 3g72 s TYR 72 Cb 0.18 -3.75 0.02 0.00 0.42 0.00 0.00 41.96 38.83 3g72 s TYR 72 CO 0.32 -2.20 -0.13 0.21 0.64 0.00 0.00 175.55 174.39 3g72 s LYS 73 N -1.31 2.10 0.58 4.97 2.20 0.13 -5.00 119.74 123.41 3g72 s LYS 73 Ca 0.53 -0.49 -0.20 0.00 -0.36 0.00 0.00 55.97 55.44 3g72 s LYS 73 Cb -0.41 -1.90 -0.04 0.00 -1.51 0.00 0.00 37.83 33.96 3g72 s LYS 73 CO 0.50 -0.17 1.19 1.58 -0.36 0.00 0.00 175.35 178.08 3g72 n HIS 74 N 4.58 1.64 0.07 4.03 -0.00 -1.26 -0.96 115.22 123.31 3g72 n HIS 74 Ca -0.17 0.44 0.00 0.00 -0.00 0.00 0.00 57.72 57.99 3g72 n HIS 74 Cb 0.50 -2.26 0.00 0.00 -0.00 0.00 0.00 29.99 28.24 3g72 n HIS 74 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 3g72 n ASN 75 N -0.99 0.03 0.00 0.26 2.85 -1.24 -4.75 115.26 111.42 3g72 n ASN 75 Ca 0.13 0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.84 3g72 n ASN 75 Cb 0.46 0.16 0.00 0.00 1.24 0.00 0.00 39.78 41.64 3g72 n ASN 75 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3g72 n GLY 76 N 1.87 0.82 3.66 8.20 0.00 -0.21 -4.97 105.19 114.56 3g72 n GLY 76 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3g72 n GLY 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3g72 n THR 77 N -2.00 0.70 -2.34 2.61 -1.04 -1.26 -4.59 114.28 106.37 3g72 n THR 77 Ca 0.00 -0.14 -0.37 0.00 -2.04 0.00 0.00 64.05 61.50 3g72 n THR 77 Cb 0.00 -2.19 -0.02 0.00 -1.82 0.00 0.00 70.33 66.30 3g72 n THR 77 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3g72 s GLU 78 N 4.42 3.92 0.03 -2.82 0.41 -1.26 0.53 118.70 123.93 3g72 s GLU 78 Ca 0.91 1.72 0.05 0.00 -0.41 0.00 0.00 54.97 57.24 3g72 s GLU 78 Cb -0.51 -2.49 -0.02 0.00 -1.78 0.00 0.00 34.13 29.33 3g72 s GLU 78 CO 0.45 -0.41 -0.14 -0.51 -0.49 0.00 0.00 175.26 174.16 3g72 s LEU 79 N -2.83 2.15 0.01 1.80 1.43 0.22 -4.85 118.68 116.61 3g72 s LEU 79 Ca 0.61 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 3g72 s LEU 79 Cb -0.27 -0.64 -0.01 0.00 0.03 0.00 0.00 46.19 45.30 3g72 s LEU 79 CO 0.34 0.06 -0.05 -0.89 0.23 0.00 0.00 176.35 176.04 3g72 s THR 80 N -0.76 0.37 -0.18 5.49 2.01 -1.26 -1.29 115.64 120.01 3g72 s THR 80 Ca 0.02 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.56 3g72 s THR 80 Cb -0.07 -0.36 0.05 0.00 0.01 0.00 0.00 72.50 72.12 3g72 s THR 80 CO 0.01 -0.06 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.65 3g72 s LEU 81 N -0.55 1.52 -1.05 4.42 1.98 0.38 -5.00 118.68 120.38 3g72 s LEU 81 Ca -0.02 -0.79 -0.20 0.00 -2.89 0.00 0.00 54.13 50.23 3g72 s LEU 81 Cb -0.04 -0.78 0.09 0.00 0.66 0.00 0.00 46.19 46.11 3g72 s LEU 81 CO -0.00 -0.25 1.40 -0.60 -1.89 0.00 0.00 176.35 175.01 3g72 s ARG 82 N 1.72 3.69 0.25 1.98 3.52 -1.26 -1.13 118.95 127.71 3g72 s ARG 82 Ca -0.01 -1.55 -0.16 0.00 -0.13 0.00 0.00 55.73 53.88 3g72 s ARG 82 Cb -0.17 -5.23 -0.08 0.00 -1.56 0.00 0.00 34.95 27.91 3g72 s ARG 82 CO -0.07 -2.06 0.68 -0.47 -0.81 0.00 0.00 175.30 172.57 3g72 s TYR 83 N 3.94 3.51 0.27 5.12 6.14 -0.82 -4.98 117.35 130.53 3g72 s TYR 83 Ca 0.43 1.21 -0.01 0.00 0.64 0.00 0.00 57.07 59.34 3g72 s TYR 83 Cb -0.01 -2.50 0.58 0.00 0.42 0.00 0.00 41.96 40.45 3g72 s TYR 83 CO -0.06 0.25 1.70 0.66 0.64 0.00 0.00 175.55 178.74 3g72 h SER 84 N 2.91 0.19 0.10 4.32 4.64 -1.99 0.48 113.55 124.20 3g72 h SER 84 Ca -0.48 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3g72 h SER 84 Cb 1.18 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3g72 h SER 84 CO 0.66 -0.00 -0.02 0.35 -0.87 0.00 0.00 176.83 176.95 3g72 n THR 85 N -5.09 0.00 -0.69 2.95 -2.24 -1.26 -4.99 114.28 102.96 3g72 n THR 85 Ca 0.18 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3g72 n THR 85 Cb 0.54 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 3g72 n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g72 n GLY 86 N 1.11 -1.03 3.75 3.38 0.00 0.16 -4.80 105.19 107.75 3g72 n GLY 86 Ca 0.21 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.27 3g72 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g72 s THR 87 N -1.88 5.01 -0.25 2.61 2.01 -1.26 -1.94 115.64 119.94 3g72 s THR 87 Ca 0.00 1.19 -0.13 0.00 0.31 0.00 0.00 61.69 63.07 3g72 s THR 87 Cb 0.00 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 3g72 s THR 87 CO 0.00 0.37 0.26 -0.69 -0.69 0.00 0.00 174.62 173.87 3g72 s VAL 88 N 0.15 5.28 0.05 3.82 1.01 -0.29 -3.89 120.40 126.53 3g72 s VAL 88 Ca 0.31 0.36 0.05 0.00 0.00 0.00 0.00 61.98 62.70 3g72 s VAL 88 Cb -0.17 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 3g72 s VAL 88 CO 0.15 0.27 -0.14 -0.55 0.00 0.00 0.00 175.10 174.83 3g72 s SER 89 N 1.32 1.70 0.00 3.32 0.15 0.67 -0.47 113.70 120.40 3g72 s SER 89 Ca 0.11 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.27 3g72 s SER 89 Cb -0.15 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 3g72 s SER 89 CO 0.08 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.14 3g72 n GLY 90 N 1.77 1.57 3.13 9.45 0.00 -0.41 -0.55 105.19 120.15 3g72 n GLY 90 Ca -0.19 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 3g72 n GLY 90 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3g72 s PHE 91 N -2.69 0.82 0.24 1.61 -0.12 -0.29 0.71 117.98 118.26 3g72 s PHE 91 Ca 0.00 -0.72 -0.23 0.00 -0.05 0.00 0.00 56.93 55.93 3g72 s PHE 91 Cb 0.00 -0.48 -0.09 0.00 -0.63 0.00 0.00 43.02 41.83 3g72 s PHE 91 CO 0.00 -0.11 0.80 -1.17 -0.05 0.00 0.00 175.22 174.70 3g72 s LEU 92 N -2.40 4.40 0.12 -1.99 2.96 0.19 -0.27 118.68 121.69 3g72 s LEU 92 Ca 0.02 1.60 -0.05 0.00 -0.22 0.00 0.00 54.13 55.49 3g72 s LEU 92 Cb -0.02 -3.65 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 3g72 s LEU 92 CO -0.02 0.05 0.13 -0.44 -1.32 0.00 0.00 176.35 174.74 3g72 s SER 93 N -1.52 0.23 -0.01 3.68 0.01 0.53 -1.04 113.70 115.57 3g72 s SER 93 Ca 0.43 -0.97 0.06 0.00 1.31 0.00 0.00 55.95 56.79 3g72 s SER 93 Cb -0.19 0.33 -0.02 0.00 0.21 0.00 0.00 66.02 66.35 3g72 s SER 93 CO 0.23 -0.75 -0.21 -1.58 0.41 0.00 0.00 173.24 171.34 3g72 s GLN 94 N -3.97 1.66 0.16 12.44 0.74 -0.14 -0.86 119.66 129.69 3g72 s GLN 94 Ca 0.15 -0.75 -0.24 0.00 0.05 0.00 0.00 55.36 54.57 3g72 s GLN 94 Cb 0.06 -1.61 0.07 0.00 1.10 0.00 0.00 33.01 32.63 3g72 s GLN 94 CO -0.03 0.44 1.00 0.34 -0.55 0.00 0.00 175.29 176.48 3g72 s ASP 95 N -0.52 -0.12 -0.20 6.67 -1.08 -0.75 0.17 116.67 120.84 3g72 s ASP 95 Ca 0.08 -0.48 -0.29 0.00 -0.52 0.00 0.00 52.55 51.34 3g72 s ASP 95 Cb -0.08 0.48 0.00 0.00 -1.46 0.00 0.00 42.92 41.86 3g72 s ASP 95 CO -0.01 -0.91 1.07 -0.63 0.52 0.00 0.00 175.17 175.22 3g72 s ILE 96 N -2.93 4.62 -0.18 4.11 1.01 -1.26 -1.27 121.20 125.30 3g72 s ILE 96 Ca 0.15 1.95 -0.05 0.00 0.00 0.00 0.00 60.65 62.70 3g72 s ILE 96 Cb -0.01 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 3g72 s ILE 96 CO 0.03 -0.15 -0.00 -0.63 0.00 0.00 0.00 174.94 174.19 3g72 s ILE 97 N 3.08 4.08 -0.32 2.92 1.01 0.12 -0.66 121.20 131.43 3g72 s ILE 97 Ca 0.46 -0.28 -0.15 0.00 0.00 0.00 0.00 60.65 60.68 3g72 s ILE 97 Cb -0.17 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.46 3g72 s ILE 97 CO 0.09 0.46 0.35 -0.89 0.00 0.00 0.00 174.94 174.95 3g72 s THR 98 N 0.60 5.18 -0.20 2.92 2.01 0.47 -0.37 115.64 126.26 3g72 s THR 98 Ca -0.01 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.20 3g72 s THR 98 Cb -0.14 -3.76 0.05 0.00 0.01 0.00 0.00 72.50 68.66 3g72 s THR 98 CO 0.02 0.01 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.19 3g72 s VAL 99 N 2.01 1.48 -1.38 3.82 1.01 0.13 -2.01 120.40 125.47 3g72 s VAL 99 Ca 0.12 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 3g72 s VAL 99 Cb -0.16 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.61 3g72 s VAL 99 CO 0.11 0.10 0.22 0.61 0.00 0.00 0.00 175.10 176.14 3g72 n GLY 100 N 4.73 -0.50 2.26 4.51 0.00 -1.26 -1.56 105.19 113.37 3g72 n GLY 100 Ca -0.13 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3g72 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g72 n GLY 101 N -1.07 2.72 3.70 -0.02 0.00 -1.26 -4.47 105.19 104.79 3g72 n GLY 101 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3g72 n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g72 s ILE 102 N -2.07 4.42 -0.15 -0.61 1.01 -0.60 -5.02 121.20 118.18 3g72 s ILE 102 Ca 0.00 1.73 -0.06 0.00 0.00 0.00 0.00 60.65 62.32 3g72 s ILE 102 Cb 0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 3g72 s ILE 102 CO 0.00 0.08 0.07 0.42 0.00 0.00 0.00 174.94 175.51 3g72 s THR 103 N 1.47 4.84 -0.03 2.92 -4.23 -1.26 0.18 115.64 119.52 3g72 s THR 103 Ca 0.55 -0.03 -0.00 0.00 -1.18 0.00 0.00 61.69 61.03 3g72 s THR 103 Cb -0.24 -3.13 0.03 0.00 1.34 0.00 0.00 72.50 70.49 3g72 s THR 103 CO 0.26 0.53 0.02 -0.69 -0.54 0.00 0.00 174.62 174.19 3g72 s VAL 104 N -0.24 0.11 -0.27 2.29 1.01 0.50 -4.95 120.40 118.85 3g72 s VAL 104 Ca 0.08 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 3g72 s VAL 104 Cb -0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 3g72 s VAL 104 CO 0.01 0.16 1.62 -0.89 0.00 0.00 0.00 175.10 176.00 3g72 s THR 105 N 1.36 3.69 -0.01 3.92 2.01 -1.26 0.11 115.64 125.46 3g72 s THR 105 Ca -0.05 0.75 0.03 0.00 0.31 0.00 0.00 61.69 62.73 3g72 s THR 105 Cb -0.13 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 3g72 s THR 105 CO -0.03 -0.38 -0.09 -1.58 -0.69 0.00 0.00 174.62 171.85 3g72 s GLN 106 N 4.90 0.79 -0.01 4.92 2.00 -0.40 -4.97 119.66 126.89 3g72 s GLN 106 Ca 0.72 -0.33 -0.21 0.00 -2.00 0.00 0.00 55.36 53.53 3g72 s GLN 106 Cb -0.23 -0.76 -0.05 0.00 0.80 0.00 0.00 33.01 32.77 3g72 s GLN 106 CO 0.30 0.19 0.63 -1.64 -0.50 0.00 0.00 175.29 174.27 3g72 s MET 107 N -0.16 4.36 0.06 1.67 -1.94 -1.26 -1.81 119.30 120.22 3g72 s MET 107 Ca 0.03 0.79 -0.03 0.00 -1.71 0.00 0.00 55.69 54.77 3g72 s MET 107 Cb -0.04 -3.37 -0.03 0.00 2.01 0.00 0.00 34.83 33.40 3g72 s MET 107 CO -0.00 0.29 0.02 -0.59 -0.01 0.00 0.00 175.02 174.73 3g72 s PHE 108 N 0.05 0.44 -0.08 -0.03 -0.71 -0.04 -4.59 117.98 113.01 3g72 s PHE 108 Ca 0.33 -0.95 -0.20 0.00 -1.04 0.00 0.00 56.93 55.06 3g72 s PHE 108 Cb -0.18 -0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 41.27 3g72 s PHE 108 CO 0.18 -0.41 0.57 0.20 -1.34 0.00 0.00 175.22 174.41 3g72 s GLY 109 N -2.89 2.51 -0.39 1.99 0.00 0.64 -0.35 107.32 108.83 3g72 s GLY 109 Ca 0.06 -0.05 -0.18 0.00 0.00 0.00 0.00 44.72 44.55 3g72 s GLY 109 CO -0.10 0.89 0.52 -0.54 0.00 0.00 0.00 173.10 173.87 3g72 s GLU 110 N 0.52 3.40 -0.02 2.90 2.02 0.63 -1.83 118.70 126.32 3g72 s GLU 110 Ca 0.31 -0.37 -0.30 0.00 0.02 0.00 0.00 54.97 54.63 3g72 s GLU 110 Cb -0.16 -3.88 -0.04 0.00 0.10 0.00 0.00 34.13 30.14 3g72 s GLU 110 CO 0.14 -0.79 1.25 0.08 0.02 0.00 0.00 175.26 175.97 3g72 s VAL 111 N 2.43 4.06 -0.03 2.63 1.01 0.23 -1.14 120.40 129.59 3g72 s VAL 111 Ca 0.18 1.43 0.03 0.00 0.00 0.00 0.00 61.98 63.61 3g72 s VAL 111 Cb -0.15 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 3g72 s VAL 111 CO 0.15 0.02 0.07 0.35 0.00 0.00 0.00 175.10 175.69 3g72 n THR 112 N 4.49 0.00 -3.81 3.92 -2.24 0.29 -0.66 114.28 116.27 3g72 n THR 112 Ca 0.11 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.62 3g72 n THR 112 Cb 0.46 0.57 -0.14 0.00 -2.10 0.00 0.00 70.33 69.12 3g72 n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3g72 s GLU 113 N -1.97 0.11 -0.13 -0.78 2.02 -0.67 -3.98 118.70 113.30 3g72 s GLU 113 Ca -0.01 0.22 -0.30 0.00 0.02 0.00 0.00 54.97 54.90 3g72 s GLU 113 Cb 0.02 -0.02 0.09 0.00 0.10 0.00 0.00 34.13 34.32 3g72 s GLU 113 CO 0.11 -0.07 0.82 0.00 0.02 0.00 0.00 175.26 176.14 3g72 s MET 114 N 0.43 0.84 0.59 1.61 0.23 -1.25 -0.24 119.30 121.51 3g72 s MET 114 Ca -0.03 0.33 -0.19 0.00 -1.03 0.00 0.00 55.69 54.77 3g72 s MET 114 Cb -0.04 0.40 -0.04 0.00 -1.53 0.00 0.00 34.83 33.61 3g72 s MET 114 CO -0.02 -0.24 1.19 -1.25 -2.03 0.00 0.00 175.02 172.68 3g72 s PRO 115 N -0.89 3.03 0.27 3.16 0.04 -1.26 -4.77 135.00 134.59 3g72 s PRO 115 Ca -0.06 1.78 -0.01 0.00 0.04 0.00 0.00 61.00 62.75 3g72 s PRO 115 Cb -0.01 -1.94 0.46 0.00 0.04 0.00 0.00 34.50 33.04 3g72 s PRO 115 CO 0.05 -1.15 1.87 0.00 0.04 0.00 0.00 177.00 177.82 3g72 h ALA 116 N 0.92 1.44 -3.86 8.56 0.00 -1.97 -3.36 119.26 120.98 3g72 h ALA 116 Ca -0.50 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 53.71 3g72 h ALA 116 Cb 1.29 -0.28 -0.26 0.00 0.00 0.00 0.00 17.79 18.54 3g72 h ALA 116 CO 0.55 0.38 -0.79 -0.51 0.00 0.00 0.00 179.25 178.89 3g72 s LEU 117 N -10.17 2.61 0.00 0.00 1.43 -1.26 0.11 118.68 111.39 3g72 s LEU 117 Ca -0.12 -0.29 0.29 0.00 -1.03 0.00 0.00 54.13 52.99 3g72 s LEU 117 Cb 0.21 -1.54 1.41 0.00 0.03 0.00 0.00 46.19 46.30 3g72 s LEU 117 CO 0.81 0.28 2.00 -0.81 0.23 0.00 0.00 176.35 178.86 3g72 n PRO 118 N 2.73 0.28 0.07 1.29 -0.04 -1.26 -4.77 135.00 133.29 3g72 n PRO 118 Ca -0.17 0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.28 3g72 n PRO 118 Cb 0.52 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.75 3g72 n PRO 118 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3g72 h PHE 119 N 0.00 0.37 0.00 0.54 0.04 -1.60 -1.63 116.94 114.66 3g72 h PHE 119 Ca 0.00 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 3g72 h PHE 119 Cb 0.35 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.41 3g72 h PHE 119 CO 0.00 0.56 -0.08 0.00 -0.60 0.00 0.00 178.31 178.19 3g72 h MET 120 N 0.30 0.00 -0.51 1.51 -0.00 0.52 -2.23 114.93 114.52 3g72 h MET 120 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.75 3g72 h MET 120 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.20 3g72 h MET 120 CO 0.04 0.08 0.00 1.28 -0.00 0.00 0.00 176.91 178.32 3g72 n LEU 121 N -3.56 3.48 -4.73 -0.10 4.77 -0.61 -4.90 117.00 111.34 3g72 n LEU 121 Ca -0.02 -1.61 -0.41 0.00 -0.03 0.00 0.00 56.01 53.94 3g72 n LEU 121 Cb 0.21 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3g72 n LEU 121 CO 0.28 0.80 0.86 0.00 -1.33 0.00 0.00 177.39 178.01 3g72 s ALA 122 N -1.33 3.41 0.11 -1.18 0.00 -0.84 -4.93 121.76 117.00 3g72 s ALA 122 Ca 0.42 0.90 0.22 0.00 0.00 0.00 0.00 51.96 53.50 3g72 s ALA 122 Cb 0.23 -3.41 0.79 0.00 0.00 0.00 0.00 23.12 20.74 3g72 s ALA 122 CO 0.31 -0.34 1.77 0.93 0.00 0.00 0.00 175.76 178.43 3g72 h GLU 123 N 5.54 0.00 -6.42 0.00 4.39 -1.90 -3.45 114.58 112.74 3g72 h GLU 123 Ca -0.44 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 58.78 3g72 h GLU 123 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3g72 h GLU 123 CO 0.75 0.27 -0.26 -0.59 -1.16 0.00 0.00 179.01 178.03 3g72 s PHE 124 N -3.59 3.49 -0.13 4.33 -0.71 -1.26 -4.96 117.98 115.14 3g72 s PHE 124 Ca 0.01 0.27 0.19 0.00 -1.04 0.00 0.00 56.93 56.36 3g72 s PHE 124 Cb 0.10 -1.82 -0.17 0.00 -1.21 0.00 0.00 43.02 39.92 3g72 s PHE 124 CO 0.66 0.22 0.67 -0.25 -1.34 0.00 0.00 175.22 175.17 3g72 n ASP 125 N -1.59 0.57 -3.48 1.98 8.00 0.92 -4.98 116.55 117.97 3g72 n ASP 125 Ca -0.06 0.24 -0.09 0.00 0.71 0.00 0.00 54.79 55.59 3g72 n ASP 125 Cb 0.56 0.66 -0.02 0.00 -0.02 0.00 0.00 41.12 42.30 3g72 n ASP 125 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3g72 s GLY 126 N -4.80 0.47 -0.01 0.44 0.00 -0.57 -4.05 107.32 98.81 3g72 s GLY 126 Ca -0.05 -0.79 0.04 0.00 0.00 0.00 0.00 44.72 43.92 3g72 s GLY 126 CO 0.83 -0.44 -0.12 0.14 0.00 0.00 0.00 173.10 173.51 3g72 s VAL 127 N -3.27 0.95 -0.32 1.40 1.01 -0.31 -1.91 120.40 117.95 3g72 s VAL 127 Ca 0.18 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 3g72 s VAL 127 Cb -0.04 -0.80 0.05 0.00 0.00 0.00 0.00 36.38 35.60 3g72 s VAL 127 CO 0.11 0.27 0.06 -0.69 0.00 0.00 0.00 175.10 174.85 3g72 s VAL 128 N -0.23 3.26 0.00 2.92 1.01 0.96 -0.57 120.40 127.74 3g72 s VAL 128 Ca 0.04 -1.39 -0.30 0.00 0.00 0.00 0.00 61.98 60.33 3g72 s VAL 128 Cb -0.05 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 3g72 s VAL 128 CO -0.00 -0.20 1.12 -0.83 0.00 0.00 0.00 175.10 175.19 3g72 s GLY 129 N 1.37 2.47 0.00 4.51 0.00 -0.13 -0.49 107.32 115.05 3g72 s GLY 129 Ca -0.03 0.66 0.13 0.00 0.00 0.00 0.00 44.72 45.49 3g72 s GLY 129 CO -0.00 1.97 1.24 1.03 0.00 0.00 0.00 173.10 177.34 3g72 n MET 130 N 4.32 2.43 -0.06 2.90 2.81 0.18 -4.51 117.12 125.19 3g72 n MET 130 Ca 0.09 -2.00 0.00 0.00 -1.81 0.00 0.00 57.70 53.97 3g72 n MET 130 Cb 0.48 -1.32 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 3g72 n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g72 n GLY 131 N 0.77 -0.87 3.95 3.03 0.00 0.42 -4.75 105.19 107.73 3g72 n GLY 131 Ca 0.13 -1.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.22 3g72 n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g72 s PHE 132 N -0.74 3.49 0.41 1.61 0.40 -1.26 -4.73 117.98 117.16 3g72 s PHE 132 Ca 0.00 0.27 0.14 0.00 -0.60 0.00 0.00 56.93 56.74 3g72 s PHE 132 Cb 0.00 -1.83 1.00 0.00 0.51 0.00 0.00 43.02 42.70 3g72 s PHE 132 CO 0.00 0.18 1.91 0.97 0.70 0.00 0.00 175.22 178.98 3g72 h ILE 133 N 0.83 0.80 -1.12 0.64 2.10 -1.90 -1.74 117.51 117.13 3g72 h ILE 133 Ca -0.50 -0.17 0.32 0.00 1.08 0.00 0.00 64.86 65.60 3g72 h ILE 133 Cb 1.22 0.28 -0.04 0.00 -1.09 0.00 0.00 36.82 37.18 3g72 h ILE 133 CO 0.61 0.09 1.01 -0.33 -1.08 0.00 0.00 178.15 178.45 3g72 h GLU 134 N 0.48 0.00 -0.09 2.19 3.07 -1.94 0.05 114.58 118.34 3g72 h GLU 134 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 3g72 h GLU 134 Cb 0.83 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 3g72 h GLU 134 CO -0.14 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.51 3g72 n GLN 135 N -3.68 1.43 -2.40 2.33 6.02 -0.66 -4.99 117.38 115.44 3g72 n GLN 135 Ca 0.24 -1.31 -0.42 0.00 -0.01 0.00 0.00 57.00 55.51 3g72 n GLN 135 Cb 1.37 -1.11 -0.03 0.00 1.02 0.00 0.00 30.24 31.49 3g72 n GLN 135 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3g72 s ALA 136 N -0.73 3.50 0.31 -1.58 0.00 0.00 -4.52 121.76 118.75 3g72 s ALA 136 Ca 0.08 0.72 -0.30 0.00 0.00 0.00 0.00 51.96 52.47 3g72 s ALA 136 Cb 0.05 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 19.53 3g72 s ALA 136 CO 0.07 -0.75 1.57 0.42 0.00 0.00 0.00 175.76 177.07 3g72 s ILE 137 N 2.08 2.07 0.00 0.00 1.01 -1.26 -1.62 121.20 123.48 3g72 s ILE 137 Ca 0.58 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.29 3g72 s ILE 137 Cb -0.27 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.16 3g72 s ILE 137 CO 0.24 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.80 3g72 n GLY 138 N 1.79 0.28 2.48 6.18 0.00 -1.26 -3.14 105.19 111.52 3g72 n GLY 138 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 3g72 n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g72 n ARG 139 N -1.09 -1.58 -2.74 1.61 1.74 -0.64 -4.95 116.66 109.01 3g72 n ARG 139 Ca 0.00 1.09 -0.39 0.00 -0.77 0.00 0.00 57.85 57.78 3g72 n ARG 139 Cb 0.22 -5.60 -0.06 0.00 -1.02 0.00 0.00 32.46 26.00 3g72 n ARG 139 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3g72 s VAL 140 N -2.85 4.06 0.06 1.55 -7.23 -1.19 -4.94 120.40 109.86 3g72 s VAL 140 Ca 0.00 1.99 -0.31 0.00 -1.81 0.00 0.00 61.98 61.85 3g72 s VAL 140 Cb 0.00 -4.23 -0.08 0.00 0.56 0.00 0.00 36.38 32.63 3g72 s VAL 140 CO 0.00 0.41 1.66 -0.89 -0.31 0.00 0.00 175.10 175.97 3g72 s THR 141 N -1.28 3.08 0.56 5.32 2.01 -1.26 -4.81 115.64 119.25 3g72 s THR 141 Ca 0.43 0.49 -0.18 0.00 0.31 0.00 0.00 61.69 62.74 3g72 s THR 141 Cb -0.25 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 3g72 s THR 141 CO 0.31 -0.01 1.09 -2.84 -0.69 0.00 0.00 174.62 172.48 3g72 s PRO 142 N 2.78 3.38 0.24 4.92 0.02 -1.26 -4.68 135.00 140.40 3g72 s PRO 142 Ca 0.74 1.43 -0.05 0.00 0.02 0.00 0.00 61.00 63.14 3g72 s PRO 142 Cb -0.39 -2.03 0.43 0.00 0.02 0.00 0.00 34.50 32.53 3g72 s PRO 142 CO 0.32 -0.79 1.74 0.97 -0.33 0.00 0.00 177.00 178.91 3g72 h ILE 143 N 0.96 0.69 -0.68 2.83 2.10 -1.84 -1.76 117.51 119.80 3g72 h ILE 143 Ca -0.49 -0.16 -0.03 0.00 1.08 0.00 0.00 64.86 65.26 3g72 h ILE 143 Cb 1.24 0.18 -0.03 0.00 -1.09 0.00 0.00 36.82 37.12 3g72 h ILE 143 CO 0.57 0.09 0.31 0.15 -1.08 0.00 0.00 178.15 178.19 3g72 h PHE 144 N 0.47 1.00 -0.39 2.19 3.57 -1.92 0.15 116.94 122.01 3g72 h PHE 144 Ca 0.40 -0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.92 3g72 h PHE 144 Cb 0.58 -0.31 -0.09 0.00 2.79 0.00 0.00 35.95 38.92 3g72 h PHE 144 CO -0.16 0.76 -0.21 -0.44 -2.23 0.00 0.00 178.31 176.03 3g72 h ASP 145 N 0.95 -0.71 -0.48 0.41 5.19 -1.75 0.37 116.42 120.39 3g72 h ASP 145 Ca 0.23 0.16 0.04 0.00 -0.62 0.00 0.00 57.03 56.83 3g72 h ASP 145 Cb 0.15 0.37 -0.03 0.00 0.18 0.00 0.00 39.33 40.01 3g72 h ASP 145 CO -0.03 -0.24 0.32 0.78 -3.12 0.00 0.00 179.24 176.95 3g72 h ASN 146 N -0.15 0.45 -0.12 6.45 2.35 -0.72 -1.16 115.58 122.69 3g72 h ASN 146 Ca 0.19 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.84 3g72 h ASN 146 Cb 0.44 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3g72 h ASN 146 CO -0.48 0.31 -0.29 0.40 -1.65 0.00 0.00 177.43 175.72 3g72 h ILE 147 N 0.52 1.38 -0.88 2.81 2.04 0.26 -3.03 117.51 120.62 3g72 h ILE 147 Ca 0.20 -1.59 0.19 0.00 1.00 0.00 0.00 64.86 64.66 3g72 h ILE 147 Cb 0.14 2.10 -0.11 0.00 -0.74 0.00 0.00 36.82 38.21 3g72 h ILE 147 CO -0.05 0.47 0.41 0.40 0.00 0.00 0.00 178.15 179.38 3g72 h ILE 148 N -0.02 0.58 0.00 -0.67 2.04 0.16 -2.08 117.51 117.53 3g72 h ILE 148 Ca -0.00 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3g72 h ILE 148 Cb 0.90 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3g72 h ILE 148 CO 0.06 0.09 0.00 0.77 0.00 0.00 0.00 178.15 179.07 3g72 h SER 149 N 0.49 0.00 0.76 1.72 4.64 -1.11 -1.16 113.55 118.90 3g72 h SER 149 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3g72 h SER 149 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3g72 h SER 149 CO -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.50 3g72 n GLN 150 N -2.82 0.14 -3.36 4.77 6.02 -0.78 -4.91 117.38 116.43 3g72 n GLN 150 Ca 0.02 0.33 -0.24 0.00 -0.01 0.00 0.00 57.00 57.10 3g72 n GLN 150 Cb 0.33 -1.74 0.02 0.00 1.02 0.00 0.00 30.24 29.86 3g72 n GLN 150 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g72 n GLY 151 N 0.22 -0.50 0.10 1.08 0.00 -0.44 -4.87 105.19 100.78 3g72 n GLY 151 Ca 0.03 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 3g72 n GLY 151 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3g72 n VAL 152 N -4.32 1.49 -2.48 1.61 0.24 -1.26 -4.85 118.33 108.76 3g72 n VAL 152 Ca -0.04 -0.79 -0.36 0.00 -2.04 0.00 0.00 64.34 61.11 3g72 n VAL 152 Cb 0.57 -0.82 -0.03 0.00 -1.47 0.00 0.00 33.84 32.08 3g72 n VAL 152 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g72 s LEU 153 N -5.88 4.07 0.21 1.34 1.43 -1.26 -4.37 118.68 114.22 3g72 s LEU 153 Ca -0.13 2.09 -0.11 0.00 -1.03 0.00 0.00 54.13 54.95 3g72 s LEU 153 Cb 0.07 -4.25 0.29 0.00 0.03 0.00 0.00 46.19 42.34 3g72 s LEU 153 CO 0.80 -0.63 1.65 0.50 0.23 0.00 0.00 176.35 178.90 3g72 h LYS 154 N 2.27 0.09 -3.79 1.70 3.64 -0.66 -3.45 116.57 116.37 3g72 h LYS 154 Ca -0.49 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 58.80 3g72 h LYS 154 Cb 1.22 -0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.91 3g72 h LYS 154 CO 0.61 0.06 -0.24 -1.83 -2.27 0.00 0.00 179.45 175.78 3g72 s GLU 155 N -6.16 1.27 -1.53 1.90 -1.05 -1.15 -4.89 118.70 107.09 3g72 s GLU 155 Ca -0.14 -1.17 -0.11 0.00 -0.15 0.00 0.00 54.97 53.41 3g72 s GLU 155 Cb 0.19 0.41 -0.02 0.00 -0.44 0.00 0.00 34.13 34.28 3g72 s GLU 155 CO 0.74 -0.49 2.63 -0.25 0.95 0.00 0.00 175.26 178.83 3g72 n ASP 156 N -0.27 6.99 -3.98 0.83 8.00 -1.26 -4.21 116.55 122.66 3g72 n ASP 156 Ca -0.06 -2.74 -0.08 0.00 0.71 0.00 0.00 54.79 52.62 3g72 n ASP 156 Cb 0.63 -1.57 -0.08 0.00 -0.02 0.00 0.00 41.12 40.07 3g72 n ASP 156 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3g72 s VAL 157 N 2.09 0.17 0.03 2.53 -7.23 -1.26 0.20 120.40 116.92 3g72 s VAL 157 Ca 0.60 -1.49 -0.16 0.00 -1.81 0.00 0.00 61.98 59.12 3g72 s VAL 157 Cb 0.16 -1.49 0.03 0.00 0.56 0.00 0.00 36.38 35.63 3g72 s VAL 157 CO -0.07 -0.75 0.34 0.72 -0.31 0.00 0.00 175.10 175.03 3g72 s PHE 158 N -3.90 -0.18 0.07 2.82 -0.12 -0.53 0.64 117.98 116.79 3g72 s PHE 158 Ca 0.08 0.12 0.05 0.00 -0.05 0.00 0.00 56.93 57.14 3g72 s PHE 158 Cb 0.06 0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 42.56 3g72 s PHE 158 CO -0.09 -0.50 -0.15 -1.12 -0.05 0.00 0.00 175.22 173.31 3g72 s SER 159 N -1.88 1.74 -0.11 1.98 0.01 0.89 0.49 113.70 116.83 3g72 s SER 159 Ca -0.07 -0.63 0.03 0.00 1.31 0.00 0.00 55.95 56.59 3g72 s SER 159 Cb -0.02 -0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.17 3g72 s SER 159 CO -0.01 -0.07 -0.19 -0.36 0.41 0.00 0.00 173.24 173.02 3g72 s PHE 160 N -1.29 2.20 -0.21 2.43 0.40 0.15 -1.98 117.98 119.69 3g72 s PHE 160 Ca -0.01 -1.00 -0.05 0.00 -0.60 0.00 0.00 56.93 55.27 3g72 s PHE 160 Cb -0.10 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.88 3g72 s PHE 160 CO 0.02 -0.46 -0.01 -0.47 0.70 0.00 0.00 175.22 175.00 3g72 s TYR 161 N 0.74 3.02 -0.19 0.36 5.04 0.66 -1.70 117.35 125.27 3g72 s TYR 161 Ca -0.11 -0.56 -0.01 0.00 -2.44 0.00 0.00 57.07 53.95 3g72 s TYR 161 Cb -0.16 -2.10 0.01 0.00 0.35 0.00 0.00 41.96 40.06 3g72 s TYR 161 CO 0.02 -0.32 -0.13 0.71 -1.34 0.00 0.00 175.55 174.49 3g72 s TYR 162 N 1.14 2.86 0.62 4.97 2.02 -1.26 -0.38 117.35 127.31 3g72 s TYR 162 Ca 0.03 -1.29 -0.11 0.00 -0.37 0.00 0.00 57.07 55.32 3g72 s TYR 162 Cb -0.14 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.38 3g72 s TYR 162 CO 0.01 -0.67 1.02 1.21 -1.57 0.00 0.00 175.55 175.55 3g72 s ASN 163 N 1.33 6.24 0.36 2.29 3.04 0.19 -4.21 114.94 124.17 3g72 s ASN 163 Ca 0.04 1.41 -0.25 0.00 0.04 0.00 0.00 52.86 54.11 3g72 s ASN 163 Cb -0.14 -2.47 -0.10 0.00 -1.54 0.00 0.00 41.25 37.01 3g72 s ASN 163 CO -0.08 -0.86 0.97 -0.13 -3.04 0.00 0.00 177.10 173.96 3g72 s ARG 164 N -5.16 4.43 0.19 0.43 0.52 -1.26 -4.92 118.95 113.18 3g72 s ARG 164 Ca 0.55 1.32 -0.32 0.00 -0.52 0.00 0.00 55.73 56.77 3g72 s ARG 164 Cb -0.11 -2.62 -0.12 0.00 0.52 0.00 0.00 34.95 32.62 3g72 s ARG 164 CO 0.54 0.13 1.75 0.34 0.02 0.00 0.00 175.30 178.07 3g72 s ASP 165 N -1.72 6.39 0.00 0.23 2.15 -1.26 -5.01 116.67 117.45 3g72 s ASP 165 Ca 0.54 2.84 0.00 0.00 0.43 0.00 0.00 52.55 56.36 3g72 s ASP 165 Cb -0.17 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 3g72 s ASP 165 CO 0.22 -0.98 0.00 -0.24 -0.17 0.00 0.00 175.17 174.00 3g72 n SER 166 N 4.37 -1.02 -0.08 -0.34 2.88 -1.26 -5.08 113.62 113.10 3g72 n SER 166 Ca 0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 3g72 n SER 166 Cb 0.36 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 3g72 n SER 166 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3g72 n SER 171 N 0.00 -0.30 -4.59 -3.46 2.88 -1.26 -5.04 113.62 101.85 3g72 n SER 171 Ca 0.00 0.00 -0.53 0.00 -1.33 0.00 0.00 58.87 57.01 3g72 n SER 171 Cb 0.00 -0.15 -0.06 0.00 -0.75 0.00 0.00 64.21 63.25 3g72 n SER 171 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3g72 n LEU 172 N -0.00 1.46 0.17 2.46 7.94 -1.26 -4.90 117.00 122.87 3g72 n LEU 172 Ca 0.00 1.12 0.05 0.00 -1.11 0.00 0.00 56.01 56.07 3g72 n LEU 172 Cb 0.00 -1.15 0.17 0.00 0.53 0.00 0.00 43.42 42.97 3g72 n LEU 172 CO 0.00 -1.13 0.58 1.23 -1.11 0.00 0.00 177.39 176.97 3g72 h GLY 173 N 4.49 0.00 0.00 -3.96 0.00 -1.81 -3.43 103.07 98.35 3g72 h GLY 173 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3g72 h GLY 173 CO 0.77 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.92 3g72 n GLY 174 N 0.84 -1.20 3.64 4.60 0.00 -0.67 -0.64 105.19 111.76 3g72 n GLY 174 Ca 0.01 -0.86 -0.05 0.00 0.00 0.00 0.00 46.02 45.12 3g72 n GLY 174 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3g72 s GLN 175 N -0.38 0.50 -0.13 1.61 0.74 0.49 -0.91 119.66 121.58 3g72 s GLN 175 Ca 0.00 0.82 -0.07 0.00 0.05 0.00 0.00 55.36 56.17 3g72 s GLN 175 Cb 0.00 0.12 -0.04 0.00 1.10 0.00 0.00 33.01 34.19 3g72 s GLN 175 CO 0.00 -0.10 0.12 0.42 -0.55 0.00 0.00 175.29 175.18 3g72 s ILE 176 N 1.27 5.33 -0.14 -2.34 1.01 0.17 -0.24 121.20 126.26 3g72 s ILE 176 Ca -0.08 0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.74 3g72 s ILE 176 Cb -0.04 -3.33 0.01 0.00 0.01 0.00 0.00 42.46 39.11 3g72 s ILE 176 CO -0.15 0.59 -0.19 -0.69 0.00 0.00 0.00 174.94 174.50 3g72 s VAL 177 N -0.78 1.84 -0.22 2.92 1.01 -0.84 -0.41 120.40 123.92 3g72 s VAL 177 Ca 0.13 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 3g72 s VAL 177 Cb -0.12 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 3g72 s VAL 177 CO 0.03 0.51 0.25 -0.76 0.00 0.00 0.00 175.10 175.12 3g72 s LEU 178 N 0.99 4.13 0.00 3.92 1.43 0.27 -0.07 118.68 129.35 3g72 s LEU 178 Ca -0.04 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 3g72 s LEU 178 Cb -0.15 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.82 3g72 s LEU 178 CO -0.04 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.17 3g72 n GLY 179 N 4.12 0.31 0.00 -3.19 0.00 0.21 -1.51 105.19 105.12 3g72 n GLY 179 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3g72 n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g72 n GLY 180 N -2.00 -0.73 3.09 -0.02 0.00 -1.24 -2.94 105.19 101.35 3g72 n GLY 180 Ca 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 3g72 n GLY 180 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g72 s SER 181 N -4.00 -0.08 -0.42 1.61 0.01 -1.26 -3.57 113.70 105.99 3g72 s SER 181 Ca 0.00 0.07 -0.17 0.00 1.31 0.00 0.00 55.95 57.16 3g72 s SER 181 Cb 0.00 0.28 0.02 0.00 0.21 0.00 0.00 66.02 66.53 3g72 s SER 181 CO 0.00 -0.22 0.43 -0.62 0.41 0.00 0.00 173.24 173.23 3g72 s ASP 182 N -0.68 6.19 0.64 2.44 -1.08 -1.26 -4.95 116.67 117.97 3g72 s ASP 182 Ca -0.08 -0.66 0.41 0.00 -0.52 0.00 0.00 52.55 51.70 3g72 s ASP 182 Cb -0.04 -2.22 2.19 0.00 -1.46 0.00 0.00 42.92 41.39 3g72 s ASP 182 CO 0.01 -0.57 2.31 -0.65 0.52 0.00 0.00 175.17 176.79 3g72 h PRO 183 N 8.71 0.00 -0.05 4.34 0.11 -2.01 -0.44 132.00 142.66 3g72 h PRO 183 Ca -0.27 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.86 3g72 h PRO 183 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3g72 h PRO 183 CO 0.79 0.01 0.10 1.96 -0.21 0.00 0.00 178.00 180.64 3g72 h GLN 184 N 0.00 0.00 -0.11 1.05 1.08 -1.97 -3.11 115.11 112.05 3g72 h GLN 184 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3g72 h GLN 184 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 3g72 h GLN 184 CO 0.00 0.00 0.00 0.72 -0.95 0.00 0.00 178.83 178.60 3g72 n HIS 185 N -3.48 0.13 -4.27 2.96 8.25 -0.18 -4.78 115.22 113.86 3g72 n HIS 185 Ca -0.02 -0.20 -0.15 0.00 -0.26 0.00 0.00 57.72 57.10 3g72 n HIS 185 Cb 0.19 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.18 3g72 n HIS 185 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3g72 s TYR 186 N -0.80 1.38 0.13 4.41 1.13 -1.18 0.12 117.35 122.54 3g72 s TYR 186 Ca 0.12 -1.24 0.01 0.00 -1.41 0.00 0.00 57.07 54.55 3g72 s TYR 186 Cb 0.07 -0.76 -0.04 0.00 -1.10 0.00 0.00 41.96 40.13 3g72 s TYR 186 CO 0.11 -0.44 -0.01 -1.83 -2.51 0.00 0.00 175.55 170.87 3g72 s GLU 187 N -4.07 0.95 3.23 -3.49 -1.05 -0.09 -4.74 118.70 109.45 3g72 s GLU 187 Ca 0.37 -1.43 0.00 0.00 -0.15 0.00 0.00 54.97 53.76 3g72 s GLU 187 Cb 0.07 -0.09 0.00 0.00 -0.44 0.00 0.00 34.13 33.67 3g72 s GLU 187 CO 0.12 -0.13 0.00 0.41 0.95 0.00 0.00 175.26 176.61 3g72 n GLY 188 N -0.13 0.23 3.33 -3.83 0.00 -1.26 -3.40 105.19 100.12 3g72 n GLY 188 Ca -0.08 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.85 3g72 n GLY 188 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3g72 s ASN 189 N -4.00 2.47 0.32 1.61 0.01 -1.26 -4.98 114.94 109.11 3g72 s ASN 189 Ca 0.00 -0.97 -0.28 0.00 -0.71 0.00 0.00 52.86 50.90 3g72 s ASN 189 Cb 0.00 -0.12 -0.09 0.00 0.41 0.00 0.00 41.25 41.44 3g72 s ASN 189 CO 0.00 -0.16 1.07 -0.36 -1.51 0.00 0.00 177.10 176.14 3g72 s PHE 190 N -2.76 3.50 0.05 2.20 0.08 -1.26 -4.61 117.98 115.17 3g72 s PHE 190 Ca 0.20 1.70 0.09 0.00 0.12 0.00 0.00 56.93 59.03 3g72 s PHE 190 Cb -0.02 -3.21 -0.03 0.00 -0.57 0.00 0.00 43.02 39.20 3g72 s PHE 190 CO 0.06 -0.50 -0.25 -1.58 -0.10 0.00 0.00 175.22 172.85 3g72 s HIS 191 N -1.34 2.19 0.11 0.36 5.65 -0.97 -4.93 115.29 116.36 3g72 s HIS 191 Ca 0.49 -0.40 0.10 0.00 0.25 0.00 0.00 55.06 55.50 3g72 s HIS 191 Cb -0.28 -1.30 -0.04 0.00 -1.18 0.00 0.00 32.58 29.78 3g72 s HIS 191 CO 0.36 0.13 -0.25 0.71 -0.65 0.00 0.00 174.74 175.03 3g72 s TYR 192 N -0.82 2.17 -0.10 3.88 2.02 -1.26 -1.28 117.35 121.96 3g72 s TYR 192 Ca 0.11 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.45 3g72 s TYR 192 Cb -0.10 -1.19 0.00 0.00 -0.40 0.00 0.00 41.96 40.28 3g72 s TYR 192 CO 0.02 0.28 -0.21 0.42 -1.57 0.00 0.00 175.55 174.49 3g72 s ILE 193 N -1.05 1.84 0.65 2.71 1.09 0.01 -4.91 121.20 121.53 3g72 s ILE 193 Ca 0.12 -0.88 -0.16 0.00 -1.10 0.00 0.00 60.65 58.62 3g72 s ILE 193 Cb -0.10 -1.60 -0.01 0.00 -1.06 0.00 0.00 42.46 39.69 3g72 s ILE 193 CO 0.05 0.51 1.16 0.20 -0.10 0.00 0.00 174.94 176.76 3g72 s ASN 194 N 0.47 4.97 0.50 3.58 0.02 -1.26 -1.32 114.94 121.89 3g72 s ASN 194 Ca -0.17 2.20 -0.19 0.00 -1.02 0.00 0.00 52.86 53.68 3g72 s ASN 194 Cb -0.17 -2.58 -0.08 0.00 0.02 0.00 0.00 41.25 38.44 3g72 s ASN 194 CO 0.07 -1.73 1.02 -0.76 0.02 0.00 0.00 177.10 175.72 3g72 s LEU 195 N -4.62 3.78 0.15 0.60 1.43 -0.50 -4.59 118.68 114.93 3g72 s LEU 195 Ca 0.72 1.84 -0.15 0.00 -1.03 0.00 0.00 54.13 55.51 3g72 s LEU 195 Cb -0.25 -4.55 0.03 0.00 0.03 0.00 0.00 46.19 41.45 3g72 s LEU 195 CO 0.39 -0.77 1.73 0.40 0.23 0.00 0.00 176.35 178.33 3g72 h ILE 196 N 1.35 1.19 -3.22 -0.59 2.04 -1.72 -3.45 117.51 113.09 3g72 h ILE 196 Ca -0.49 -0.53 -0.08 0.00 1.00 0.00 0.00 64.86 64.77 3g72 h ILE 196 Cb 1.21 0.66 -0.16 0.00 -0.74 0.00 0.00 36.82 37.79 3g72 h ILE 196 CO 0.59 0.21 -0.17 -1.59 0.00 0.00 0.00 178.15 177.19 3g72 s LYS 197 N -5.71 0.90 0.94 2.37 -2.85 -1.26 -5.11 119.74 109.01 3g72 s LYS 197 Ca -0.13 -0.50 -0.11 0.00 -1.00 0.00 0.00 55.97 54.24 3g72 s LYS 197 Cb 0.11 0.39 0.16 0.00 -2.06 0.00 0.00 37.83 36.43 3g72 s LYS 197 CO 0.76 -0.31 1.11 0.95 0.10 0.00 0.00 175.35 177.96 3g72 s THR 198 N -2.76 2.29 0.00 3.79 -4.23 -1.26 -3.77 115.64 109.70 3g72 s THR 198 Ca -0.03 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 3g72 s THR 198 Cb -0.00 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.61 3g72 s THR 198 CO -0.05 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 3g72 n GLY 199 N -0.01 2.43 3.26 3.99 0.00 -1.26 -5.03 105.19 108.58 3g72 n GLY 199 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 3g72 n GLY 199 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g72 s VAL 200 N -2.56 -0.00 -1.43 1.61 0.11 -1.25 -4.34 120.40 112.54 3g72 s VAL 200 Ca 0.00 0.02 -0.13 0.00 -2.93 0.00 0.00 61.98 58.93 3g72 s VAL 200 Cb 0.00 -0.53 0.06 0.00 -1.53 0.00 0.00 36.38 34.38 3g72 s VAL 200 CO 0.00 0.01 2.18 0.79 -3.33 0.00 0.00 175.10 174.74 3g72 n TRP 201 N 3.07 3.40 -3.96 1.54 7.02 -1.26 -4.77 117.44 122.49 3g72 n TRP 201 Ca -0.15 -2.94 -0.14 0.00 -1.02 0.00 0.00 57.50 53.24 3g72 n TRP 201 Cb 0.57 -2.44 -0.15 0.00 -2.42 0.00 0.00 31.31 26.87 3g72 n TRP 201 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 3g72 s GLN 202 N 2.65 0.19 0.11 -0.99 0.74 -1.26 -0.64 119.66 120.46 3g72 s GLN 202 Ca 0.46 -0.02 0.03 0.00 0.05 0.00 0.00 55.36 55.88 3g72 s GLN 202 Cb 0.13 -0.25 -0.04 0.00 1.10 0.00 0.00 33.01 33.95 3g72 s GLN 202 CO -0.07 -0.01 -0.08 0.96 -0.55 0.00 0.00 175.29 175.53 3g72 s ILE 203 N 0.29 0.89 0.31 -2.34 -4.36 0.04 -1.98 121.20 114.04 3g72 s ILE 203 Ca -0.03 -1.92 -0.29 0.00 -0.26 0.00 0.00 60.65 58.16 3g72 s ILE 203 Cb -0.05 -1.67 -0.10 0.00 1.25 0.00 0.00 42.46 41.89 3g72 s ILE 203 CO -0.01 -0.77 1.34 -1.10 0.24 0.00 0.00 174.94 174.64 3g72 s GLN 204 N -3.60 4.33 -0.05 0.37 -1.52 -1.26 -0.38 119.66 117.55 3g72 s GLN 204 Ca 0.12 2.23 0.03 0.00 -1.95 0.00 0.00 55.36 55.80 3g72 s GLN 204 Cb 0.03 -3.08 -0.02 0.00 -0.22 0.00 0.00 33.01 29.71 3g72 s GLN 204 CO -0.02 -0.25 -0.15 1.41 -0.25 0.00 0.00 175.29 176.04 3g72 s MET 205 N -1.40 2.56 0.00 2.91 -2.45 0.19 -4.48 119.30 116.62 3g72 s MET 205 Ca 0.52 -0.70 0.21 0.00 -1.25 0.00 0.00 55.69 54.47 3g72 s MET 205 Cb -0.40 -2.39 0.19 0.00 1.25 0.00 0.00 34.83 33.48 3g72 s MET 205 CO 0.50 0.59 1.19 1.63 1.05 0.00 0.00 175.02 179.99 3g72 n LYS 206 N 2.40 2.01 0.00 4.11 5.02 0.32 -2.06 118.16 129.96 3g72 n LYS 206 Ca -0.17 -1.82 0.00 0.00 -2.02 0.00 0.00 58.31 54.30 3g72 n LYS 206 Cb 0.52 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 3g72 n LYS 206 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g72 n GLY 207 N 1.22 3.69 3.11 0.72 0.00 -1.23 -4.57 105.19 108.12 3g72 n GLY 207 Ca 0.13 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 3g72 n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g72 s VAL 208 N -2.00 1.60 0.01 1.61 1.01 -0.43 0.10 120.40 122.29 3g72 s VAL 208 Ca 0.00 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.29 3g72 s VAL 208 Cb 0.00 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3g72 s VAL 208 CO 0.00 0.46 -0.10 -0.44 0.00 0.00 0.00 175.10 175.02 3g72 s SER 209 N 0.66 4.36 -0.23 3.32 0.01 0.79 -0.99 113.70 121.63 3g72 s SER 209 Ca -0.13 -0.22 -0.05 0.00 1.31 0.00 0.00 55.95 56.86 3g72 s SER 209 Cb -0.16 -0.94 -0.01 0.00 0.21 0.00 0.00 66.02 65.11 3g72 s SER 209 CO 0.04 0.28 -0.01 -0.69 0.41 0.00 0.00 173.24 173.27 3g72 s VAL 210 N -0.95 3.64 0.00 3.43 1.01 -0.40 -0.89 120.40 126.25 3g72 s VAL 210 Ca 0.16 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3g72 s VAL 210 Cb -0.11 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.60 3g72 s VAL 210 CO 0.06 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3g72 n GLY 211 N 4.78 2.38 0.07 4.51 0.00 0.35 -2.33 105.19 114.96 3g72 n GLY 211 Ca -0.18 0.36 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 3g72 n GLY 211 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3g72 h SER 212 N 0.00 0.00 -3.58 1.61 0.02 -1.92 -3.47 113.55 106.21 3g72 h SER 212 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 3g72 h SER 212 Cb 0.00 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.33 3g72 h SER 212 CO 0.00 0.98 -0.71 -0.44 -1.14 0.00 0.00 176.83 175.53 3g72 s SER 213 N -6.37 4.51 0.01 3.07 0.01 -0.98 -5.02 113.70 108.93 3g72 s SER 213 Ca -0.02 -0.11 -0.30 0.00 1.31 0.00 0.00 55.95 56.83 3g72 s SER 213 Cb 0.09 -1.32 -0.07 0.00 0.21 0.00 0.00 66.02 64.93 3g72 s SER 213 CO 0.82 0.29 1.63 -0.89 0.41 0.00 0.00 173.24 175.51 3g72 s THR 214 N -0.38 3.33 -0.21 1.44 2.01 -1.26 -1.27 115.64 119.30 3g72 s THR 214 Ca 0.05 0.63 0.09 0.00 0.31 0.00 0.00 61.69 62.78 3g72 s THR 214 Cb -0.12 -3.41 -0.19 0.00 0.01 0.00 0.00 72.50 68.79 3g72 s THR 214 CO 0.02 -0.02 -0.07 -0.11 -0.69 0.00 0.00 174.62 173.75 3g72 n LEU 215 N 6.24 1.43 -4.14 4.42 7.94 -0.16 -4.92 117.00 127.81 3g72 n LEU 215 Ca 0.16 -0.06 -0.13 0.00 -1.11 0.00 0.00 56.01 54.87 3g72 n LEU 215 Cb 0.42 -0.16 -0.11 0.00 0.53 0.00 0.00 43.42 44.10 3g72 n LEU 215 CO 0.62 0.66 -0.41 -0.76 -1.11 0.00 0.00 177.39 176.40 3g72 s LEU 216 N -5.84 2.38 -1.10 -1.96 1.43 -0.91 -4.87 118.68 107.81 3g72 s LEU 216 Ca -0.20 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.13 3g72 s LEU 216 Cb 0.07 -0.22 0.00 0.00 0.03 0.00 0.00 46.19 46.07 3g72 s LEU 216 CO 0.65 -0.28 0.00 0.00 0.23 0.00 0.00 176.35 176.94 3g72 h GLU 218 N 0.04 0.00 -0.70 0.00 9.09 -1.89 0.17 114.58 121.29 3g72 h GLU 218 Ca -0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.20 3g72 h GLU 218 Cb 0.73 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.83 3g72 h GLU 218 CO 0.31 0.03 0.00 -0.25 0.05 0.00 0.00 179.01 179.15 3g72 n ASP 219 N -3.88 4.07 -0.10 3.06 8.00 -1.26 -4.90 116.55 121.53 3g72 n ASP 219 Ca -0.03 -2.57 0.00 0.00 0.71 0.00 0.00 54.79 52.90 3g72 n ASP 219 Cb 0.12 -0.60 -0.00 0.00 -0.02 0.00 0.00 41.12 40.61 3g72 n ASP 219 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g72 n GLY 220 N 0.50 -2.80 3.82 0.44 0.00 0.59 -5.12 105.19 102.62 3g72 n GLY 220 Ca 0.19 -1.33 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 3g72 n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g72 s LEU 222 N -3.07 4.11 -0.18 0.00 1.43 -1.26 -0.63 118.68 119.08 3g72 s LEU 222 Ca 0.15 0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.38 3g72 s LEU 222 Cb -0.05 -2.75 0.05 0.00 0.03 0.00 0.00 46.19 43.47 3g72 s LEU 222 CO 0.10 0.17 -0.03 0.00 0.23 0.00 0.00 176.35 176.82 3g72 s ALA 223 N -1.47 1.39 -0.03 4.21 0.00 0.49 -1.29 121.76 125.06 3g72 s ALA 223 Ca 0.32 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 51.18 3g72 s ALA 223 Cb -0.13 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 3g72 s ALA 223 CO 0.25 -0.92 0.84 -1.17 0.00 0.00 0.00 175.76 174.76 3g72 s LEU 224 N 1.67 4.34 -0.40 0.00 2.96 -0.37 -0.78 118.68 126.10 3g72 s LEU 224 Ca -0.00 1.42 -0.11 0.00 -0.22 0.00 0.00 54.13 55.22 3g72 s LEU 224 Cb -0.16 -3.33 0.05 0.00 0.50 0.00 0.00 46.19 43.26 3g72 s LEU 224 CO -0.07 -0.19 0.24 -0.69 -1.32 0.00 0.00 176.35 174.32 3g72 s VAL 225 N 0.91 4.48 -0.36 1.68 1.01 0.19 -0.12 120.40 128.19 3g72 s VAL 225 Ca 0.45 -1.11 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3g72 s VAL 225 Cb -0.19 -3.62 0.11 0.00 0.00 0.00 0.00 36.38 32.68 3g72 s VAL 225 CO 0.23 -0.38 0.14 -0.62 0.00 0.00 0.00 175.10 174.47 3g72 s ASP 226 N 1.88 3.96 0.00 3.32 -1.08 -0.41 -4.62 116.67 119.71 3g72 s ASP 226 Ca 0.02 -2.02 0.19 0.00 -0.52 0.00 0.00 52.55 50.23 3g72 s ASP 226 Cb -0.21 -0.99 0.83 0.00 -1.46 0.00 0.00 42.92 41.09 3g72 s ASP 226 CO 0.05 -0.36 1.61 0.35 0.52 0.00 0.00 175.17 177.34 3g72 n THR 227 N 4.35 0.66 1.01 1.71 -2.24 -1.26 -1.32 114.28 117.19 3g72 n THR 227 Ca 0.02 0.16 0.12 0.00 -2.27 0.00 0.00 64.05 62.08 3g72 n THR 227 Cb 0.39 -0.83 0.19 0.00 -2.10 0.00 0.00 70.33 67.98 3g72 n THR 227 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g72 n GLY 228 N 0.48 -1.17 3.74 3.38 0.00 -1.26 -4.74 105.19 105.61 3g72 n GLY 228 Ca 0.05 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 3g72 n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g72 s ALA 229 N -2.98 3.37 0.23 4.61 0.00 -0.43 -4.98 121.76 121.58 3g72 s ALA 229 Ca 0.11 0.23 0.17 0.00 0.00 0.00 0.00 51.96 52.46 3g72 s ALA 229 Cb 0.17 -2.97 0.65 0.00 0.00 0.00 0.00 23.12 20.98 3g72 s ALA 229 CO 0.72 0.03 1.74 0.77 0.00 0.00 0.00 175.76 179.01 3g72 h SER 230 N 5.96 0.00 -2.05 0.00 0.02 -1.87 -0.24 113.55 115.37 3g72 h SER 230 Ca -0.43 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 59.93 3g72 h SER 230 Cb 1.20 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.61 3g72 h SER 230 CO 0.72 0.42 -0.59 -0.31 -1.14 0.00 0.00 176.83 175.93 3g72 s TYR 231 N -3.71 2.22 -0.14 3.45 2.02 -1.26 -2.79 117.35 117.13 3g72 s TYR 231 Ca -0.01 -0.84 -0.29 0.00 -0.37 0.00 0.00 57.07 55.56 3g72 s TYR 231 Cb 0.12 -1.57 -0.01 0.00 -0.40 0.00 0.00 41.96 40.10 3g72 s TYR 231 CO 0.70 0.24 1.14 0.42 -1.57 0.00 0.00 175.55 176.48 3g72 s ILE 232 N -2.94 4.47 0.15 2.71 1.01 -1.15 -1.61 121.20 123.85 3g72 s ILE 232 Ca 0.31 1.78 0.11 0.00 0.00 0.00 0.00 60.65 62.84 3g72 s ILE 232 Cb 0.08 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 3g72 s ILE 232 CO 0.15 -0.08 -0.25 -0.94 0.00 0.00 0.00 174.94 173.82 3g72 s SER 233 N 1.48 3.42 0.33 3.58 1.04 -0.22 -1.05 113.70 122.28 3g72 s SER 233 Ca 0.51 -0.78 0.03 0.00 0.48 0.00 0.00 55.95 56.19 3g72 s SER 233 Cb -0.20 -0.26 -0.04 0.00 0.10 0.00 0.00 66.02 65.62 3g72 s SER 233 CO 0.15 0.16 0.14 -0.83 0.98 0.00 0.00 173.24 173.83 3g72 s GLY 234 N -2.31 2.15 0.81 7.32 0.00 -1.17 0.33 107.32 114.46 3g72 s GLY 234 Ca 0.17 -1.70 -0.15 0.00 0.00 0.00 0.00 44.72 43.04 3g72 s GLY 234 CO 0.08 -1.67 0.40 -1.14 0.00 0.00 0.00 173.10 170.77 3g72 n SER 235 N -0.94 -1.82 -0.09 1.64 3.41 -1.24 0.61 113.62 115.18 3g72 n SER 235 Ca -0.01 0.48 -0.06 0.00 -0.26 0.00 0.00 58.87 59.02 3g72 n SER 235 Cb 0.65 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 3g72 n SER 235 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3g72 h THR 236 N -0.81 0.63 -0.69 6.66 2.02 -1.92 -1.22 112.91 117.59 3g72 h THR 236 Ca -0.45 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.77 3g72 h THR 236 Cb 1.33 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 68.32 3g72 h THR 236 CO 0.39 0.00 0.42 0.77 0.37 0.00 0.00 175.52 177.47 3g72 h SER 237 N -0.03 0.68 -0.21 4.18 4.64 -2.00 -0.92 113.55 119.89 3g72 h SER 237 Ca 0.16 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3g72 h SER 237 Cb 0.28 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3g72 h SER 237 CO -0.36 0.46 0.12 0.28 -0.87 0.00 0.00 176.83 176.47 3g72 h SER 238 N 0.82 0.26 -0.30 4.97 0.02 -1.77 -1.79 113.55 115.75 3g72 h SER 238 Ca 0.29 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 61.04 3g72 h SER 238 Cb 0.06 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3g72 h SER 238 CO -0.13 0.26 -0.24 0.40 -1.14 0.00 0.00 176.83 175.98 3g72 h ILE 239 N 0.24 1.27 -0.23 3.27 1.08 -1.10 0.15 117.51 122.20 3g72 h ILE 239 Ca 0.07 -1.36 0.06 0.00 -0.39 0.00 0.00 64.86 63.24 3g72 h ILE 239 Cb 0.05 1.23 -0.07 0.00 -3.07 0.00 0.00 36.82 34.96 3g72 h ILE 239 CO -0.01 0.46 -0.36 -0.33 -0.69 0.00 0.00 178.15 177.22 3g72 h GLU 240 N 0.68 -0.36 -0.52 2.37 5.08 -1.02 0.31 114.58 121.12 3g72 h GLU 240 Ca 0.09 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.55 3g72 h GLU 240 Cb 0.76 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 3g72 h GLU 240 CO 0.06 -0.24 0.18 0.87 -1.00 0.00 0.00 179.01 178.88 3g72 h LYS 241 N -0.38 0.35 -0.11 2.33 1.79 -1.02 -1.73 116.57 117.81 3g72 h LYS 241 Ca 0.11 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3g72 h LYS 241 Cb 0.57 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 3g72 h LYS 241 CO -0.43 0.23 0.06 1.25 -1.08 0.00 0.00 179.45 179.48 3g72 h LEU 242 N 0.36 0.13 -0.86 2.94 5.85 0.14 -2.43 115.31 121.44 3g72 h LEU 242 Ca 0.25 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.80 3g72 h LEU 242 Cb 0.28 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3g72 h LEU 242 CO -0.26 0.15 -0.49 0.24 -0.34 0.00 0.00 178.44 177.73 3g72 h MET 243 N 0.11 0.19 -0.04 1.25 2.86 -0.23 -1.26 114.93 117.81 3g72 h MET 243 Ca 0.04 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3g72 h MET 243 Cb 0.04 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3g72 h MET 243 CO -0.01 0.64 -0.01 0.93 1.06 0.00 0.00 176.91 179.53 3g72 h GLU 244 N 0.15 0.00 0.00 1.72 5.08 -1.21 -0.01 114.58 120.32 3g72 h GLU 244 Ca 0.01 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3g72 h GLU 244 Cb 0.92 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 3g72 h GLU 244 CO 0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 179.01 178.06 3g72 h ALA 245 N 1.03 1.71 0.00 3.43 0.00 -0.87 -1.46 119.26 123.10 3g72 h ALA 245 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g72 h ALA 245 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3g72 h ALA 245 CO -0.03 0.04 -0.58 -0.07 0.00 0.00 0.00 179.25 178.60 3g72 h LEU 246 N 0.00 0.00 0.76 0.00 3.38 -0.82 -3.48 115.31 115.15 3g72 h LEU 246 Ca -0.00 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 3g72 h LEU 246 Cb 0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.82 3g72 h LEU 246 CO 0.00 0.02 -0.23 0.61 0.09 0.00 0.00 178.44 178.93 3g72 n GLY 247 N 1.20 0.08 3.88 0.83 0.00 -0.16 -4.90 105.19 106.11 3g72 n GLY 247 Ca 0.02 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 3g72 n GLY 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g72 s ALA 248 N -2.58 3.74 -0.10 4.61 0.00 -0.37 -4.87 121.76 122.19 3g72 s ALA 248 Ca 0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 3g72 s ALA 248 Cb -0.02 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.84 3g72 s ALA 248 CO 0.06 0.59 -0.03 0.21 0.00 0.00 0.00 175.76 176.59 3g72 s LYS 249 N -2.11 3.13 0.30 0.00 2.20 0.97 -4.58 119.74 119.65 3g72 s LYS 249 Ca 0.35 -0.49 -0.29 0.00 -0.36 0.00 0.00 55.97 55.18 3g72 s LYS 249 Cb -0.13 -2.77 -0.10 0.00 -1.51 0.00 0.00 37.83 33.32 3g72 s LYS 249 CO 0.20 0.54 1.13 0.21 -0.36 0.00 0.00 175.35 177.07 3g72 s LYS 250 N -0.46 4.53 0.17 4.03 2.20 -1.26 -0.76 119.74 128.20 3g72 s LYS 250 Ca 0.07 1.86 0.00 0.00 -0.36 0.00 0.00 55.97 57.55 3g72 s LYS 250 Cb -0.12 -3.10 -0.00 0.00 -1.51 0.00 0.00 37.83 33.09 3g72 s LYS 250 CO 0.02 0.10 0.01 0.54 -0.36 0.00 0.00 175.35 175.66 3g72 n ARG 251 N 0.99 1.36 -0.29 4.03 1.74 0.20 -4.93 116.66 119.76 3g72 n ARG 251 Ca -0.00 -1.28 0.06 0.00 -0.77 0.00 0.00 57.85 55.86 3g72 n ARG 251 Cb 0.45 0.44 0.28 0.00 -1.02 0.00 0.00 32.46 32.61 3g72 n ARG 251 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3g72 h LEU 252 N 0.00 0.82 0.00 0.55 3.38 -2.03 -3.27 115.31 114.77 3g72 h LEU 252 Ca -0.14 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3g72 h LEU 252 Cb 0.44 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3g72 h LEU 252 CO 0.23 0.49 -0.21 0.49 0.09 0.00 0.00 178.44 179.53 3g72 n PHE 253 N -4.52 0.00 -3.76 1.13 3.72 -1.26 -5.12 117.46 107.65 3g72 n PHE 253 Ca 0.15 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.48 3g72 n PHE 253 Cb 0.28 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.81 3g72 n PHE 253 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3g72 n ASP 254 N -0.74 -0.81 -4.41 4.37 5.68 -1.23 -4.95 116.55 114.46 3g72 n ASP 254 Ca 0.00 -1.98 -0.30 0.00 -0.50 0.00 0.00 54.79 52.01 3g72 n ASP 254 Cb 0.00 1.47 -0.13 0.00 -1.14 0.00 0.00 41.12 41.32 3g72 n ASP 254 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 3g72 s TYR 255 N -4.17 2.41 0.14 2.11 2.02 -1.26 0.63 117.35 119.23 3g72 s TYR 255 Ca 0.14 -0.34 0.04 0.00 -0.37 0.00 0.00 57.07 56.54 3g72 s TYR 255 Cb -0.01 -1.36 -0.04 0.00 -0.40 0.00 0.00 41.96 40.15 3g72 s TYR 255 CO 0.10 0.26 -0.08 0.14 -1.57 0.00 0.00 175.55 174.41 3g72 s VAL 256 N -0.97 1.01 0.17 0.71 -7.23 0.06 -1.89 120.40 112.26 3g72 s VAL 256 Ca 0.14 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.31 3g72 s VAL 256 Cb -0.10 -1.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.93 3g72 s VAL 256 CO 0.05 -0.73 0.00 0.68 -0.31 0.00 0.00 175.10 174.80 3g72 s VAL 257 N -3.43 0.66 0.27 1.32 -7.23 -0.34 -0.02 120.40 111.62 3g72 s VAL 257 Ca 0.17 -1.98 -0.29 0.00 -1.81 0.00 0.00 61.98 58.07 3g72 s VAL 257 Cb 0.04 -2.11 -0.10 0.00 0.56 0.00 0.00 36.38 34.77 3g72 s VAL 257 CO 0.00 -0.48 1.28 -0.54 -0.31 0.00 0.00 175.10 175.05 3g72 s LYS 258 N -3.92 4.41 0.38 4.82 1.02 -1.26 0.42 119.74 125.61 3g72 s LYS 258 Ca 0.24 2.09 0.06 0.00 0.02 0.00 0.00 55.97 58.38 3g72 s LYS 258 Cb 0.06 -3.14 0.75 0.00 -0.52 0.00 0.00 37.83 34.98 3g72 s LYS 258 CO 0.04 -0.17 1.98 0.00 -0.92 0.00 0.00 175.35 176.29 3g72 h ASN 260 N 0.54 0.00 0.91 0.00 -1.07 -1.60 -3.06 115.58 111.30 3g72 h ASN 260 Ca 0.14 0.00 -0.22 0.00 0.07 0.00 0.00 56.30 56.28 3g72 h ASN 260 Cb 0.09 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.31 3g72 h ASN 260 CO -0.02 0.31 -1.14 -0.33 0.07 0.00 0.00 177.43 176.33 3g72 h GLU 261 N 0.00 0.00 0.00 4.14 5.08 -1.55 -3.40 114.58 118.85 3g72 h GLU 261 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g72 h GLU 261 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3g72 h GLU 261 CO 0.04 0.87 0.00 0.41 -1.00 0.00 0.00 179.01 179.33 3g72 n GLY 262 N 1.39 -1.18 0.41 -3.84 0.00 -0.54 -0.59 105.19 100.84 3g72 n GLY 262 Ca -0.04 0.23 0.23 0.00 0.00 0.00 0.00 46.02 46.44 3g72 n GLY 262 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3g72 h PRO 263 N 0.00 0.00 0.00 1.61 0.11 -1.77 0.22 132.00 132.17 3g72 h PRO 263 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3g72 h PRO 263 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3g72 h PRO 263 CO 0.00 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.04 3g72 n THR 264 N -3.89 0.12 -1.84 -1.15 -2.24 0.24 -4.83 114.28 100.69 3g72 n THR 264 Ca 0.11 0.02 -0.35 0.00 -2.27 0.00 0.00 64.05 61.55 3g72 n THR 264 Cb 0.73 -0.55 0.05 0.00 -2.10 0.00 0.00 70.33 68.46 3g72 n THR 264 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3g72 s LEU 265 N -3.04 3.55 0.48 3.22 1.02 0.76 -4.99 118.68 119.69 3g72 s LEU 265 Ca 0.13 2.36 -0.21 0.00 0.02 0.00 0.00 54.13 56.44 3g72 s LEU 265 Cb 0.18 -4.59 -0.08 0.00 0.02 0.00 0.00 46.19 41.71 3g72 s LEU 265 CO 0.50 -1.78 1.04 -2.16 0.02 0.00 0.00 176.35 173.98 3g72 s PRO 266 N -3.53 3.83 0.37 1.29 0.04 -1.26 -4.39 135.00 131.35 3g72 s PRO 266 Ca 0.76 1.39 -0.25 0.00 0.04 0.00 0.00 61.00 62.94 3g72 s PRO 266 Cb -0.30 -2.15 -0.12 0.00 0.04 0.00 0.00 34.50 31.97 3g72 s PRO 266 CO 0.37 -0.41 0.86 -0.25 0.04 0.00 0.00 177.00 177.61 3g72 n ASP 267 N -0.86 0.57 -4.48 6.66 8.00 -1.26 -4.41 116.55 120.77 3g72 n ASP 267 Ca 0.09 1.05 -0.33 0.00 0.71 0.00 0.00 54.79 56.31 3g72 n ASP 267 Cb 0.52 -1.25 -0.13 0.00 -0.02 0.00 0.00 41.12 40.24 3g72 n ASP 267 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3g72 s ILE 268 N -1.24 3.24 -0.03 0.53 1.01 0.88 -0.49 121.20 125.09 3g72 s ILE 268 Ca 0.62 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.66 3g72 s ILE 268 Cb -0.63 -2.30 -0.00 0.00 0.01 0.00 0.00 42.46 39.53 3g72 s ILE 268 CO 0.58 0.58 -0.14 -0.44 0.00 0.00 0.00 174.94 175.52 3g72 s SER 269 N -0.54 1.71 -0.22 3.58 0.01 -0.06 -0.05 113.70 118.13 3g72 s SER 269 Ca 0.08 -0.27 -0.05 0.00 1.31 0.00 0.00 55.95 57.01 3g72 s SER 269 Cb -0.12 -0.42 -0.02 0.00 0.21 0.00 0.00 66.02 65.68 3g72 s SER 269 CO 0.02 0.12 -0.01 -0.36 0.41 0.00 0.00 173.24 173.42 3g72 s PHE 270 N 0.03 3.00 -0.55 2.43 0.08 0.19 -0.15 117.98 123.02 3g72 s PHE 270 Ca -0.02 -0.70 -0.20 0.00 0.12 0.00 0.00 56.93 56.13 3g72 s PHE 270 Cb -0.09 -2.13 0.06 0.00 -0.57 0.00 0.00 43.02 40.29 3g72 s PHE 270 CO 0.01 -0.43 0.73 -1.58 -0.10 0.00 0.00 175.22 173.85 3g72 s HIS 271 N 1.39 2.96 -0.17 0.36 2.46 0.11 -0.11 115.29 122.30 3g72 s HIS 271 Ca 0.05 -0.53 0.00 0.00 0.47 0.00 0.00 55.06 55.05 3g72 s HIS 271 Cb -0.15 -3.79 0.04 0.00 -0.13 0.00 0.00 32.58 28.55 3g72 s HIS 271 CO -0.00 -1.20 -0.09 -0.51 -2.47 0.00 0.00 174.74 170.46 3g72 s LEU 272 N 3.01 1.83 -1.19 8.88 1.43 0.42 0.12 118.68 133.17 3g72 s LEU 272 Ca 0.18 -0.67 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 3g72 s LEU 272 Cb -0.19 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 44.95 3g72 s LEU 272 CO 0.12 -0.13 1.01 0.61 0.23 0.00 0.00 176.35 178.19 3g72 n GLY 273 N 4.79 -0.37 3.29 -3.19 0.00 -1.26 -2.05 105.19 106.39 3g72 n GLY 273 Ca -0.14 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3g72 n GLY 273 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g72 n GLY 274 N -1.38 0.57 3.48 -0.02 0.00 -1.26 -4.96 105.19 101.62 3g72 n GLY 274 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3g72 n GLY 274 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g72 s LYS 275 N -0.44 2.31 -0.35 1.61 2.20 -0.87 -5.12 119.74 119.08 3g72 s LYS 275 Ca 0.00 -0.83 -0.23 0.00 -0.36 0.00 0.00 55.97 54.56 3g72 s LYS 275 Cb 0.00 -2.30 0.01 0.00 -1.51 0.00 0.00 37.83 34.03 3g72 s LYS 275 CO 0.00 0.58 0.75 -1.21 -0.36 0.00 0.00 175.35 175.11 3g72 s GLU 276 N -1.12 3.77 -0.41 4.03 0.41 -1.26 -0.44 118.70 123.68 3g72 s GLU 276 Ca 0.14 0.29 -0.17 0.00 -0.41 0.00 0.00 54.97 54.82 3g72 s GLU 276 Cb -0.11 -3.80 0.02 0.00 -1.78 0.00 0.00 34.13 28.46 3g72 s GLU 276 CO 0.03 -0.80 0.43 0.71 -0.49 0.00 0.00 175.26 175.14 3g72 s TYR 277 N 2.99 3.18 -0.17 1.61 2.02 0.84 -4.90 117.35 122.92 3g72 s TYR 277 Ca 0.30 -0.31 -0.02 0.00 -0.37 0.00 0.00 57.07 56.67 3g72 s TYR 277 Cb -0.14 -2.86 -0.01 0.00 -0.40 0.00 0.00 41.96 38.56 3g72 s TYR 277 CO 0.16 -0.65 -0.08 0.99 -1.57 0.00 0.00 175.55 174.39 3g72 s THR 278 N 2.12 3.30 -0.19 -0.71 2.01 -1.26 0.56 115.64 121.46 3g72 s THR 278 Ca 0.12 -0.55 -0.06 0.00 0.31 0.00 0.00 61.69 61.51 3g72 s THR 278 Cb -0.17 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 3g72 s THR 278 CO 0.13 0.48 0.03 -0.76 -0.69 0.00 0.00 174.62 173.81 3g72 s LEU 279 N 0.84 3.48 0.82 4.42 1.02 0.93 -4.97 118.68 125.22 3g72 s LEU 279 Ca -0.02 -0.09 -0.12 0.00 0.02 0.00 0.00 54.13 53.92 3g72 s LEU 279 Cb -0.15 -1.88 0.09 0.00 0.02 0.00 0.00 46.19 44.27 3g72 s LEU 279 CO 0.01 0.11 1.19 0.42 0.02 0.00 0.00 176.35 178.10 3g72 s THR 280 N 0.74 2.00 0.38 5.49 -4.23 -1.26 -0.08 115.64 118.68 3g72 s THR 280 Ca 0.01 -0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.58 3g72 s THR 280 Cb -0.14 -3.00 0.27 0.00 1.34 0.00 0.00 72.50 70.97 3g72 s THR 280 CO 0.02 0.00 2.02 0.77 -0.54 0.00 0.00 174.62 176.89 3g72 h SER 281 N -1.09 0.59 -0.15 3.99 4.64 -1.77 0.57 113.55 120.34 3g72 h SER 281 Ca -0.46 -0.01 0.04 0.00 -0.47 0.00 0.00 61.79 60.89 3g72 h SER 281 Cb 1.32 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3g72 h SER 281 CO 0.64 0.42 0.16 0.00 -0.87 0.00 0.00 176.83 177.18 3g72 h ALA 282 N 1.67 1.76 0.00 5.18 0.00 -1.89 0.65 119.26 126.63 3g72 h ALA 282 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3g72 h ALA 282 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3g72 h ALA 282 CO -0.05 -0.24 -0.67 -0.44 0.00 0.00 0.00 179.25 177.85 3g72 h ASP 283 N 0.00 0.00 0.00 0.00 3.32 -1.23 -3.40 116.42 115.11 3g72 h ASP 283 Ca 0.07 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3g72 h ASP 283 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3g72 h ASP 283 CO -0.00 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3g72 n TYR 284 N -2.77 0.00 -3.98 4.55 0.18 -0.51 -4.93 117.16 109.70 3g72 n TYR 284 Ca 0.01 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.44 3g72 n TYR 284 Cb 0.54 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.38 3g72 n TYR 284 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3g72 s VAL 285 N -0.06 4.44 -0.76 -3.48 1.01 0.11 0.13 120.40 121.78 3g72 s VAL 285 Ca 0.00 -0.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.58 3g72 s VAL 285 Cb 0.00 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 3g72 s VAL 285 CO 0.00 0.42 1.73 -0.36 0.00 0.00 0.00 175.10 176.89 3g72 s PHE 286 N 0.88 1.91 -1.30 5.22 0.08 0.21 -4.82 117.98 120.15 3g72 s PHE 286 Ca 0.03 0.41 -0.09 0.00 0.12 0.00 0.00 56.93 57.40 3g72 s PHE 286 Cb -0.14 -4.24 0.15 0.00 -0.57 0.00 0.00 43.02 38.22 3g72 s PHE 286 CO 0.02 -2.07 1.98 0.94 -0.10 0.00 0.00 175.22 175.99 3g72 n GLN 287 N 9.10 3.68 0.21 0.44 -0.06 -1.26 -4.06 117.38 125.43 3g72 n GLN 287 Ca 0.24 -3.43 0.08 0.00 -2.00 0.00 0.00 57.00 51.89 3g72 n GLN 287 Cb 0.50 -2.91 0.45 0.00 -4.06 0.00 0.00 30.24 24.22 3g72 n GLN 287 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 3g72 h GLU 288 N 5.61 0.00 -4.94 3.69 3.07 -1.95 -3.45 114.58 116.61 3g72 h GLU 288 Ca 0.45 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.81 3g72 h GLU 288 Cb 0.58 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.36 3g72 h GLU 288 CO 1.63 0.28 -0.49 0.45 -1.40 0.00 0.00 179.01 179.48 3g72 s SER 289 N -6.35 2.03 -0.00 1.42 0.15 -1.26 -5.04 113.70 104.65 3g72 s SER 289 Ca -0.01 -1.76 0.01 0.00 0.70 0.00 0.00 55.95 54.89 3g72 s SER 289 Cb 0.11 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 65.01 3g72 s SER 289 CO 0.65 -1.05 0.70 -1.22 1.20 0.00 0.00 173.24 173.52 3g72 n TYR 290 N -0.72 0.00 -2.83 3.44 4.01 -1.26 -4.75 117.16 115.05 3g72 n TYR 290 Ca 0.04 -0.17 -0.38 0.00 -0.16 0.00 0.00 57.90 57.22 3g72 n TYR 290 Cb 0.63 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.57 3g72 n TYR 290 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3g72 s SER 291 N -0.44 7.42 0.51 7.72 0.15 -1.26 -3.29 113.70 124.51 3g72 s SER 291 Ca 0.01 1.80 0.19 0.00 0.70 0.00 0.00 55.95 58.66 3g72 s SER 291 Cb 0.01 -2.56 1.33 0.00 -1.71 0.00 0.00 66.02 63.08 3g72 s SER 291 CO 0.00 0.06 2.12 0.28 1.20 0.00 0.00 173.24 176.90 3g72 h SER 292 N 3.67 0.00 0.68 5.45 0.02 -1.96 -2.69 113.55 118.73 3g72 h SER 292 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3g72 h SER 292 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3g72 h SER 292 CO 0.66 0.06 0.00 1.17 -1.14 0.00 0.00 176.83 177.59 3g72 n LYS 293 N -4.25 0.18 -4.36 3.45 3.00 -1.26 -4.81 118.16 110.10 3g72 n LYS 293 Ca -0.03 0.42 -0.29 0.00 -0.00 0.00 0.00 58.31 58.41 3g72 n LYS 293 Cb 0.15 -1.84 -0.12 0.00 0.00 0.00 0.00 35.03 33.21 3g72 n LYS 293 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3g72 s LYS 294 N -3.30 1.55 -0.21 1.64 1.02 -1.01 -5.06 119.74 114.37 3g72 s LYS 294 Ca 0.04 -1.31 -0.09 0.00 0.02 0.00 0.00 55.97 54.63 3g72 s LYS 294 Cb 0.09 -1.97 -0.05 0.00 -0.52 0.00 0.00 37.83 35.38 3g72 s LYS 294 CO 0.37 0.45 0.12 -0.51 -0.92 0.00 0.00 175.35 174.87 3g72 s LEU 295 N -2.17 4.05 -0.15 3.17 1.43 -1.26 -1.33 118.68 122.42 3g72 s LEU 295 Ca 0.16 0.14 -0.03 0.00 -1.03 0.00 0.00 54.13 53.38 3g72 s LEU 295 Cb -0.10 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 3g72 s LEU 295 CO 0.08 0.14 -0.06 0.00 0.23 0.00 0.00 176.35 176.74 3g72 s THR 297 N 0.36 4.80 -0.04 0.00 -4.23 -1.26 -1.20 115.64 114.07 3g72 s THR 297 Ca -0.06 0.70 -0.09 0.00 -1.18 0.00 0.00 61.69 61.07 3g72 s THR 297 Cb -0.15 -3.63 -0.05 0.00 1.34 0.00 0.00 72.50 70.02 3g72 s THR 297 CO 0.04 -0.18 0.25 -0.76 -0.54 0.00 0.00 174.62 173.43 3g72 s LEU 298 N -3.03 4.40 0.00 4.79 1.43 -0.79 -0.62 118.68 124.86 3g72 s LEU 298 Ca 0.51 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 3g72 s LEU 298 Cb -0.11 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.70 3g72 s LEU 298 CO 0.21 0.33 1.93 0.00 0.23 0.00 0.00 176.35 179.05 3g72 n ALA 299 N 1.62 3.90 -3.71 4.21 0.00 0.12 -4.70 120.51 121.94 3g72 n ALA 299 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.09 3g72 n ALA 299 Cb 0.54 -1.00 -0.17 0.00 0.00 0.00 0.00 19.45 18.82 3g72 n ALA 299 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3g72 s ILE 300 N 0.00 0.20 0.02 0.00 1.01 -1.26 -2.95 121.20 118.23 3g72 s ILE 300 Ca 0.00 0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.82 3g72 s ILE 300 Cb 0.00 -0.34 -0.02 0.00 0.01 0.00 0.00 42.46 42.11 3g72 s ILE 300 CO 0.00 0.19 -0.07 -1.00 0.00 0.00 0.00 174.94 174.06 3g72 s HIS 301 N 1.50 0.58 0.32 3.97 3.76 -0.21 -4.67 115.29 120.54 3g72 s HIS 301 Ca -0.03 -0.34 -0.29 0.00 -0.15 0.00 0.00 55.06 54.25 3g72 s HIS 301 Cb -0.13 -0.36 -0.10 0.00 1.11 0.00 0.00 32.58 33.10 3g72 s HIS 301 CO -0.03 -0.06 1.27 0.00 -0.85 0.00 0.00 174.74 175.07 3g72 s ALA 302 N -0.89 3.48 -0.26 -1.40 0.00 -1.26 -3.02 121.76 118.42 3g72 s ALA 302 Ca -0.05 1.19 -0.06 0.00 0.00 0.00 0.00 51.96 53.04 3g72 s ALA 302 Cb -0.07 -3.45 0.13 0.00 0.00 0.00 0.00 23.12 19.73 3g72 s ALA 302 CO 0.00 -0.55 0.51 1.41 0.00 0.00 0.00 175.76 177.13 3g72 s MET 303 N -1.72 0.45 -0.39 0.00 0.00 0.20 -4.86 119.30 112.99 3g72 s MET 303 Ca 0.48 1.05 -0.20 0.00 0.00 0.00 0.00 55.69 57.03 3g72 s MET 303 Cb -0.38 0.37 0.01 0.00 0.00 0.00 0.00 34.83 34.83 3g72 s MET 303 CO 0.51 -0.38 0.60 -0.51 0.00 0.00 0.00 175.02 175.23 3g72 s ASP 304 N 2.73 6.35 -0.24 1.11 1.01 -1.26 -3.70 116.67 122.67 3g72 s ASP 304 Ca 0.04 -0.10 -0.10 0.00 0.71 0.00 0.00 52.55 53.10 3g72 s ASP 304 Cb -0.13 -2.31 -0.05 0.00 1.01 0.00 0.00 42.92 41.44 3g72 s ASP 304 CO -0.17 -0.63 0.15 -0.63 0.21 0.00 0.00 175.17 174.10 3g72 s ILE 305 N 2.65 5.24 0.89 0.77 1.01 -1.26 -5.07 121.20 125.43 3g72 s ILE 305 Ca 0.22 0.14 -0.10 0.00 0.00 0.00 0.00 60.65 60.90 3g72 s ILE 305 Cb -0.15 -3.44 0.13 0.00 0.01 0.00 0.00 42.46 39.01 3g72 s ILE 305 CO 0.16 0.34 1.14 -2.16 0.00 0.00 0.00 174.94 174.43 3g72 s PRO 306 N 1.12 1.18 0.69 2.79 0.04 -1.26 -3.09 135.00 136.46 3g72 s PRO 306 Ca 0.07 1.52 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 3g72 s PRO 306 Cb -0.14 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3g72 s PRO 306 CO 0.05 -2.51 1.06 -2.14 0.04 0.00 0.00 177.00 173.50 3g72 s PRO 307 N -4.65 2.98 0.39 0.56 0.02 -1.25 0.06 135.00 133.11 3g72 s PRO 307 Ca 0.66 0.86 0.21 0.00 0.02 0.00 0.00 61.00 62.75 3g72 s PRO 307 Cb -0.22 -2.00 0.36 0.00 0.02 0.00 0.00 34.50 32.65 3g72 s PRO 307 CO 0.57 -1.04 1.59 -1.00 -0.33 0.00 0.00 177.00 176.79 3g72 h PRO 308 N -0.67 0.00 -0.89 5.54 0.13 -2.04 -3.44 132.00 130.63 3g72 h PRO 308 Ca -0.44 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3g72 h PRO 308 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 3g72 h PRO 308 CO 0.58 0.21 0.56 1.15 -0.23 0.00 0.00 178.00 180.26 3g72 h THR 309 N 0.00 1.24 -4.57 1.56 2.02 -1.91 -3.46 112.91 107.79 3g72 h THR 309 Ca -0.00 -0.50 -0.15 0.00 0.77 0.00 0.00 66.41 66.53 3g72 h THR 309 Cb 1.09 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3g72 h THR 309 CO 0.03 0.25 -0.06 0.61 0.37 0.00 0.00 175.52 176.71 3g72 n GLY 310 N -1.26 2.71 3.75 2.16 0.00 0.11 -4.50 105.19 108.15 3g72 n GLY 310 Ca 0.10 -2.19 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 3g72 n GLY 310 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3g72 s PRO 311 N -2.65 3.13 0.02 1.61 0.02 -1.18 -3.75 135.00 132.20 3g72 s PRO 311 Ca 0.11 2.12 -0.25 0.00 0.02 0.00 0.00 61.00 63.00 3g72 s PRO 311 Cb -0.01 -2.20 0.06 0.00 0.02 0.00 0.00 34.50 32.37 3g72 s PRO 311 CO 0.07 -1.16 0.57 -0.08 -0.33 0.00 0.00 177.00 176.07 3g72 s THR 312 N -1.37 0.02 0.66 0.99 -1.32 -1.26 -4.70 115.64 108.66 3g72 s THR 312 Ca 0.72 -0.15 -0.12 0.00 -1.21 0.00 0.00 61.69 60.93 3g72 s THR 312 Cb -0.38 -0.96 -0.01 0.00 -1.51 0.00 0.00 72.50 69.65 3g72 s THR 312 CO 0.44 -0.08 1.06 0.26 -2.21 0.00 0.00 174.62 174.08 3g72 s TRP 313 N -2.04 3.07 -0.07 9.09 0.52 -0.41 -4.23 118.94 124.88 3g72 s TRP 313 Ca -0.07 1.45 0.02 0.00 0.02 0.00 0.00 56.10 57.52 3g72 s TRP 313 Cb -0.01 -2.92 0.01 0.00 -1.15 0.00 0.00 33.47 29.40 3g72 s TRP 313 CO 0.02 -1.19 -0.12 0.00 0.02 0.00 0.00 176.95 175.68 3g72 s ALA 314 N -2.84 1.29 -0.59 0.98 0.00 0.15 -1.23 121.76 119.51 3g72 s ALA 314 Ca 0.60 -0.43 -0.13 0.00 0.00 0.00 0.00 51.96 52.00 3g72 s ALA 314 Cb -0.15 -0.59 0.15 0.00 0.00 0.00 0.00 23.12 22.54 3g72 s ALA 314 CO 0.49 0.10 0.51 -0.51 0.00 0.00 0.00 175.76 176.35 3g72 s LEU 315 N 0.69 6.13 0.00 0.00 1.43 0.83 -1.05 118.68 126.70 3g72 s LEU 315 Ca -0.14 -2.10 0.00 0.00 -1.03 0.00 0.00 54.13 50.86 3g72 s LEU 315 Cb -0.16 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 43.93 3g72 s LEU 315 CO 0.03 -0.72 0.00 0.61 0.23 0.00 0.00 176.35 176.51 3g72 n GLY 316 N 4.75 2.58 0.37 -3.19 0.00 -0.63 -1.29 105.19 107.79 3g72 n GLY 316 Ca -0.05 -1.95 0.13 0.00 0.00 0.00 0.00 46.02 44.15 3g72 n GLY 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g72 h ALA 317 N -0.69 1.92 -0.56 4.61 0.00 -0.99 0.03 119.26 123.58 3g72 h ALA 317 Ca 0.00 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3g72 h ALA 317 Cb 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 3g72 h ALA 317 CO 0.00 -0.14 0.20 1.15 0.00 0.00 0.00 179.25 180.47 3g72 h THR 318 N 0.61 0.80 -0.23 0.00 2.02 -1.75 0.57 112.91 114.92 3g72 h THR 318 Ca 0.42 -0.13 -0.12 0.00 0.77 0.00 0.00 66.41 67.35 3g72 h THR 318 Cb 0.74 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 3g72 h THR 318 CO -0.17 0.07 -0.30 0.15 0.37 0.00 0.00 175.52 175.64 3g72 h PHE 319 N 0.39 0.76 -0.25 3.16 3.04 -1.34 -3.28 116.94 119.41 3g72 h PHE 319 Ca 0.27 -0.24 -0.09 0.00 3.98 0.00 0.00 57.97 61.89 3g72 h PHE 319 Cb 0.31 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 3g72 h PHE 319 CO -0.17 0.98 -0.22 0.82 -2.02 0.00 0.00 178.31 177.70 3g72 h ILE 320 N 0.32 1.26 -0.94 1.41 2.04 -0.64 0.78 117.51 121.73 3g72 h ILE 320 Ca 0.03 -1.20 0.14 0.00 1.00 0.00 0.00 64.86 64.82 3g72 h ILE 320 Cb 0.88 1.31 -0.08 0.00 -0.74 0.00 0.00 36.82 38.19 3g72 h ILE 320 CO 0.07 0.38 0.60 0.03 0.00 0.00 0.00 178.15 179.23 3g72 h ARG 321 N 0.42 0.78 0.14 2.37 3.08 -0.99 -2.46 114.38 117.74 3g72 h ARG 321 Ca 0.07 -0.05 -0.26 0.00 0.07 0.00 0.00 59.98 59.81 3g72 h ARG 321 Cb 0.62 -0.18 0.03 0.00 0.08 0.00 0.00 29.97 30.53 3g72 h ARG 321 CO 0.04 0.52 -1.11 -0.22 -1.07 0.00 0.00 179.97 178.13 3g72 h LYS 322 N 0.81 0.50 -4.72 0.04 1.63 -0.99 -3.42 116.57 110.41 3g72 h LYS 322 Ca 0.48 -0.73 -0.65 0.00 -0.85 0.00 0.00 60.65 58.90 3g72 h LYS 322 Cb 0.66 0.25 -0.37 0.00 -0.60 0.00 0.00 32.23 32.16 3g72 h LYS 322 CO -0.24 1.33 -0.79 -0.06 -3.45 0.00 0.00 179.45 176.23 3g72 s PHE 323 N -2.77 3.07 0.25 1.91 0.08 -0.21 -0.81 117.98 119.50 3g72 s PHE 323 Ca -0.11 -2.22 -0.31 0.00 0.12 0.00 0.00 56.93 54.41 3g72 s PHE 323 Cb 0.04 -1.90 -0.13 0.00 -0.57 0.00 0.00 43.02 40.46 3g72 s PHE 323 CO 0.90 -0.86 1.49 0.98 -0.10 0.00 0.00 175.22 177.63 3g72 n TYR 324 N 4.48 2.40 -5.04 0.36 4.19 0.17 -4.36 117.16 119.37 3g72 n TYR 324 Ca -0.12 0.35 -0.31 0.00 3.31 0.00 0.00 57.90 61.13 3g72 n TYR 324 Cb 0.42 -2.51 -0.17 0.00 0.49 0.00 0.00 39.34 37.57 3g72 n TYR 324 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 3g72 s THR 325 N 0.05 1.88 -0.14 2.97 2.01 -0.69 -1.03 115.64 120.70 3g72 s THR 325 Ca 0.68 -0.91 -0.02 0.00 0.31 0.00 0.00 61.69 61.75 3g72 s THR 325 Cb -0.60 -1.64 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 3g72 s THR 325 CO 0.48 0.52 -0.08 -0.70 -0.69 0.00 0.00 174.62 174.15 3g72 s GLU 326 N 0.46 3.48 -0.30 4.92 2.12 0.11 0.32 118.70 129.80 3g72 s GLU 326 Ca -0.17 -0.60 -0.08 0.00 0.36 0.00 0.00 54.97 54.48 3g72 s GLU 326 Cb -0.17 -2.76 0.00 0.00 0.26 0.00 0.00 34.13 31.46 3g72 s GLU 326 CO 0.07 0.26 0.11 -0.06 -0.54 0.00 0.00 175.26 175.09 3g72 s PHE 327 N 0.28 3.16 -0.36 5.30 0.08 0.18 -0.55 117.98 126.06 3g72 s PHE 327 Ca -0.06 -0.84 -0.02 0.00 0.12 0.00 0.00 56.93 56.13 3g72 s PHE 327 Cb -0.15 -2.29 0.09 0.00 -0.57 0.00 0.00 43.02 40.10 3g72 s PHE 327 CO 0.04 -0.54 0.11 0.34 -0.10 0.00 0.00 175.22 175.07 3g72 s ASP 328 N 1.54 5.06 0.07 1.36 -1.08 -0.33 -1.45 116.67 121.84 3g72 s ASP 328 Ca 0.03 -1.78 -0.07 0.00 -0.52 0.00 0.00 52.55 50.21 3g72 s ASP 328 Cb -0.17 -1.76 -0.28 0.00 -1.46 0.00 0.00 42.92 39.25 3g72 s ASP 328 CO 0.04 -0.42 1.13 0.03 0.52 0.00 0.00 175.17 176.46 3g72 h ARG 329 N 7.97 0.36 -0.81 4.34 2.47 -0.52 -0.78 114.38 127.41 3g72 h ARG 329 Ca -0.15 -0.58 0.05 0.00 -1.26 0.00 0.00 59.98 58.05 3g72 h ARG 329 Cb 1.05 0.21 -0.06 0.00 -1.65 0.00 0.00 29.97 29.52 3g72 h ARG 329 CO 0.61 1.26 0.50 -0.09 0.56 0.00 0.00 179.97 182.82 3g72 h ARG 330 N 0.11 0.90 -0.17 0.04 9.65 -1.85 -3.19 114.38 119.88 3g72 h ARG 330 Ca -0.16 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.67 3g72 h ARG 330 Cb 1.98 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 30.35 3g72 h ARG 330 CO 0.22 0.60 0.00 0.09 2.80 0.00 0.00 179.97 183.68 3g72 n ASN 331 N -4.64 2.82 -4.00 -3.80 5.03 -1.24 -5.02 115.26 104.42 3g72 n ASN 331 Ca 0.11 -1.84 -0.40 0.00 0.87 0.00 0.00 54.58 53.32 3g72 n ASN 331 Cb 0.15 -0.10 0.01 0.00 -1.02 0.00 0.00 39.78 38.82 3g72 n ASN 331 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3g72 n ASN 332 N 1.10 -4.34 -3.83 6.41 3.02 -0.38 -4.86 115.26 112.39 3g72 n ASN 332 Ca 0.13 -1.20 -0.09 0.00 -0.03 0.00 0.00 54.58 53.38 3g72 n ASN 332 Cb 0.49 -1.60 -0.06 0.00 -0.61 0.00 0.00 39.78 38.00 3g72 n ASN 332 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g72 s ARG 333 N -6.65 1.01 -0.09 3.52 1.70 -0.73 -1.41 118.95 116.29 3g72 s ARG 333 Ca 0.33 -0.96 0.04 0.00 -0.47 0.00 0.00 55.73 54.68 3g72 s ARG 333 Cb -0.18 0.39 -0.00 0.00 -0.57 0.00 0.00 34.95 34.58 3g72 s ARG 333 CO 0.95 -0.36 -0.24 0.42 -1.08 0.00 0.00 175.30 174.99 3g72 s ILE 334 N -3.88 2.04 0.04 4.99 1.01 -0.44 -1.19 121.20 123.78 3g72 s ILE 334 Ca 0.08 -1.02 0.05 0.00 0.00 0.00 0.00 60.65 59.77 3g72 s ILE 334 Cb 0.03 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 3g72 s ILE 334 CO -0.08 0.56 -0.11 -0.83 0.00 0.00 0.00 174.94 174.48 3g72 s GLY 335 N 0.27 1.71 -0.01 6.18 0.00 0.28 -0.81 107.32 114.94 3g72 s GLY 335 Ca -0.17 -1.13 0.07 0.00 0.00 0.00 0.00 44.72 43.49 3g72 s GLY 335 CO 0.08 -1.04 -0.21 -1.36 0.00 0.00 0.00 173.10 170.58 3g72 s PHE 336 N -1.03 1.86 0.04 1.90 0.08 -0.40 0.08 117.98 120.50 3g72 s PHE 336 Ca 0.18 -0.35 -0.00 0.00 0.12 0.00 0.00 56.93 56.87 3g72 s PHE 336 Cb -0.11 -1.19 -0.03 0.00 -0.57 0.00 0.00 43.02 41.12 3g72 s PHE 336 CO 0.09 -0.02 -0.04 0.00 -0.10 0.00 0.00 175.22 175.15 3g72 s ALA 337 N -0.52 0.42 0.13 5.36 0.00 -0.20 -2.30 121.76 124.64 3g72 s ALA 337 Ca 0.08 -0.96 -0.31 0.00 0.00 0.00 0.00 51.96 50.77 3g72 s ALA 337 Cb -0.08 0.20 -0.09 0.00 0.00 0.00 0.00 23.12 23.14 3g72 s ALA 337 CO -0.01 -0.25 1.57 -1.17 0.00 0.00 0.00 175.76 175.90 3g72 s LEU 338 N -2.29 4.37 0.53 0.00 2.96 -1.22 0.43 118.68 123.46 3g72 s LEU 338 Ca -0.02 2.53 -0.19 0.00 -0.22 0.00 0.00 54.13 56.23 3g72 s LEU 338 Cb -0.00 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 43.04 3g72 s LEU 338 CO -0.05 -0.82 1.08 0.00 -1.32 0.00 0.00 176.35 175.23 3g72 s ALA 339 N 1.61 2.77 0.00 5.97 0.00 0.01 -0.91 121.76 131.22 3g72 s ALA 339 Ca 0.70 0.64 0.00 0.00 0.00 0.00 0.00 51.96 53.31 3g72 s ALA 339 Cb -0.42 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3g72 s ALA 339 CO 0.31 -0.59 0.34 -2.13 0.00 0.00 0.00 175.76 173.69