#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g72 n ASN 5 N 0.00 0.64 -4.86 1.61 6.94 -0.59 -3.74 115.26 115.26 3g72 n ASN 5 Ca 0.00 -0.89 -0.36 0.00 -0.02 0.00 0.00 54.58 53.31 3g72 n ASN 5 Cb 0.00 0.14 -0.06 0.00 -2.36 0.00 0.00 39.78 37.51 3g72 n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3g72 s THR 6 N -0.14 5.08 -0.03 5.53 -4.23 0.63 -4.61 115.64 117.87 3g72 s THR 6 Ca 0.00 0.57 0.05 0.00 -1.18 0.00 0.00 61.69 61.13 3g72 s THR 6 Cb 0.00 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.17 3g72 s THR 6 CO 0.00 0.38 -0.19 0.42 -0.54 0.00 0.00 174.62 174.68 3g72 s THR 7 N -1.30 1.57 -0.13 3.99 -4.23 -1.26 0.76 115.64 115.04 3g72 s THR 7 Ca 0.30 -0.82 0.02 0.00 -1.18 0.00 0.00 61.69 60.01 3g72 s THR 7 Cb -0.15 -1.32 0.01 0.00 1.34 0.00 0.00 72.50 72.39 3g72 s THR 7 CO 0.16 0.44 -0.19 -0.55 -0.54 0.00 0.00 174.62 173.95 3g72 s SER 8 N -0.25 2.81 0.06 3.99 0.15 0.41 -4.95 113.70 115.91 3g72 s SER 8 Ca 0.02 -0.52 0.02 0.00 0.70 0.00 0.00 55.95 56.17 3g72 s SER 8 Cb -0.10 -1.28 -0.04 0.00 -1.71 0.00 0.00 66.02 62.89 3g72 s SER 8 CO 0.01 0.04 0.10 -0.94 1.20 0.00 0.00 173.24 173.65 3g72 s SER 9 N 0.94 5.68 -0.10 5.45 1.04 -1.26 0.79 113.70 126.24 3g72 s SER 9 Ca -0.06 0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.44 3g72 s SER 9 Cb -0.15 -1.58 0.02 0.00 0.10 0.00 0.00 66.02 64.41 3g72 s SER 9 CO -0.03 0.19 -0.11 -0.69 0.98 0.00 0.00 173.24 173.59 3g72 s VAL 10 N -1.37 1.15 0.21 5.02 1.01 0.12 -4.65 120.40 121.89 3g72 s VAL 10 Ca 0.29 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 3g72 s VAL 10 Cb -0.12 -1.11 -0.09 0.00 0.00 0.00 0.00 36.38 35.06 3g72 s VAL 10 CO 0.22 0.38 1.32 -0.63 0.00 0.00 0.00 175.10 176.38 3g72 s ILE 11 N 1.23 3.16 0.03 2.22 -1.09 -1.26 -0.88 121.20 124.62 3g72 s ILE 11 Ca -0.03 0.96 0.03 0.00 -2.23 0.00 0.00 60.65 59.37 3g72 s ILE 11 Cb -0.14 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 3g72 s ILE 11 CO -0.03 0.15 0.01 -0.76 -1.23 0.00 0.00 174.94 173.08 3g72 s LEU 12 N -0.17 3.55 -0.14 2.97 1.43 0.16 -4.36 118.68 122.14 3g72 s LEU 12 Ca 0.57 -0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.51 3g72 s LEU 12 Cb -0.37 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 3g72 s LEU 12 CO 0.39 0.24 0.23 -0.89 0.23 0.00 0.00 176.35 176.54 3g72 s THR 13 N -1.19 5.35 -0.36 5.49 2.01 -0.34 -2.37 115.64 124.21 3g72 s THR 13 Ca 0.23 0.41 -0.19 0.00 0.31 0.00 0.00 61.69 62.45 3g72 s THR 13 Cb -0.12 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.86 3g72 s THR 13 CO 0.14 0.49 0.56 0.21 -0.69 0.00 0.00 174.62 175.34 3g72 s ASN 14 N -0.20 6.35 -0.41 3.53 3.84 -1.26 -2.28 114.94 124.51 3g72 s ASN 14 Ca 0.15 -0.03 -0.15 0.00 0.21 0.00 0.00 52.86 53.04 3g72 s ASN 14 Cb -0.13 -2.29 0.02 0.00 -0.55 0.00 0.00 41.25 38.30 3g72 s ASN 14 CO 0.04 -0.55 0.31 -0.47 -2.79 0.00 0.00 177.10 173.63 3g72 s TYR 15 N 2.53 3.24 -1.37 0.43 5.04 0.47 -4.69 117.35 123.00 3g72 s TYR 15 Ca 0.21 -0.57 0.00 0.00 -2.44 0.00 0.00 57.07 54.27 3g72 s TYR 15 Cb -0.15 -2.61 0.00 0.00 0.35 0.00 0.00 41.96 39.55 3g72 s TYR 15 CO 0.14 -0.59 0.00 -1.33 -1.34 0.00 0.00 175.55 172.43 3g72 n MET 16 N 5.19 -1.93 -0.92 4.97 2.81 -1.26 -1.50 117.12 124.48 3g72 n MET 16 Ca -0.11 0.78 0.00 0.00 -1.81 0.00 0.00 57.70 56.56 3g72 n MET 16 Cb 0.47 -5.35 0.00 0.00 -0.71 0.00 0.00 33.22 27.63 3g72 n MET 16 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3g72 n ASP 17 N -1.72 -4.15 -0.00 7.83 8.00 -1.26 -4.79 116.55 120.46 3g72 n ASP 17 Ca -0.18 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.33 3g72 n ASP 17 Cb 0.62 -2.54 -0.02 0.00 -0.02 0.00 0.00 41.12 39.15 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 -2.21 0.00 -4.02 -3.53 -2.24 -0.56 -4.80 114.28 96.92 3g72 n THR 18 Ca 0.00 -0.07 -0.23 0.00 -2.27 0.00 0.00 64.05 61.48 3g72 n THR 18 Cb 0.29 0.44 -0.17 0.00 -2.10 0.00 0.00 70.33 68.79 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 -2.20 0.99 -0.19 -0.78 -0.21 -0.97 -4.27 119.66 112.03 3g72 s GLN 19 Ca -0.01 -0.10 0.00 0.00 0.02 0.00 0.00 55.36 55.28 3g72 s GLN 19 Cb 0.02 -1.09 0.04 0.00 1.00 0.00 0.00 33.01 32.98 3g72 s GLN 19 CO 0.12 -0.18 -0.09 0.71 -2.12 0.00 0.00 175.29 173.74 3g72 s TYR 20 N 1.40 2.16 0.02 0.91 2.02 -1.26 -0.39 117.35 122.20 3g72 s TYR 20 Ca -0.03 -1.40 0.01 0.00 -0.37 0.00 0.00 57.07 55.27 3g72 s TYR 20 Cb -0.13 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 39.89 3g72 s TYR 20 CO -0.03 -0.70 -0.04 1.52 -1.57 0.00 0.00 175.55 174.73 3g72 s TYR 21 N 1.48 0.34 0.35 2.71 1.13 -0.97 -4.43 117.35 117.97 3g72 s TYR 21 Ca -0.00 -0.32 0.06 0.00 -1.41 0.00 0.00 57.07 55.40 3g72 s TYR 21 Cb -0.16 -0.22 -0.02 0.00 -1.10 0.00 0.00 41.96 40.46 3g72 s TYR 21 CO -0.08 -0.09 0.22 0.41 -2.51 0.00 0.00 175.55 173.51 3g72 n GLY 22 N 2.15 3.07 3.91 5.49 0.00 -0.59 -1.20 105.19 118.02 3g72 n GLY 22 Ca -0.19 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.57 3g72 n GLY 22 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3g72 s GLU 23 N -3.39 3.37 0.28 1.61 2.12 -1.26 -0.45 118.70 120.98 3g72 s GLU 23 Ca 0.31 -0.53 0.04 0.00 0.36 0.00 0.00 54.97 55.15 3g72 s GLU 23 Cb 0.02 -2.97 -0.06 0.00 0.26 0.00 0.00 34.13 31.37 3g72 s GLU 23 CO 0.22 0.57 0.01 0.96 -0.54 0.00 0.00 175.26 176.49 3g72 s ILE 24 N -1.59 1.22 -0.05 -3.70 -4.36 -0.54 -4.66 121.20 107.51 3g72 s ILE 24 Ca 0.34 -2.04 0.04 0.00 -0.26 0.00 0.00 60.65 58.74 3g72 s ILE 24 Cb -0.12 -2.56 -0.00 0.00 1.25 0.00 0.00 42.46 41.02 3g72 s ILE 24 CO 0.28 -0.18 -0.18 -0.83 0.24 0.00 0.00 174.94 174.27 3g72 s GLY 25 N -3.41 0.99 -0.08 6.27 0.00 -0.25 -1.58 107.32 109.26 3g72 s GLY 25 Ca 0.32 -0.72 0.05 0.00 0.00 0.00 0.00 44.72 44.37 3g72 s GLY 25 CO 0.12 -0.32 -0.23 -0.42 0.00 0.00 0.00 173.10 172.25 3g72 s ILE 26 N 0.13 1.95 0.00 0.90 1.01 0.44 0.27 121.20 125.90 3g72 s ILE 26 Ca -0.07 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.60 3g72 s ILE 26 Cb -0.13 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.67 3g72 s ILE 26 CO 0.03 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.12 3g72 n GLY 27 N 3.26 0.45 2.85 6.18 0.00 -0.16 -0.31 105.19 117.46 3g72 n GLY 27 Ca -0.18 -2.06 -0.28 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.18 0.95 0.84 2.61 2.01 -1.26 -3.09 115.64 116.52 3g72 s THR 28 Ca 0.00 -0.64 -0.12 0.00 0.31 0.00 0.00 61.69 61.25 3g72 s THR 28 Cb 0.00 -1.23 0.10 0.00 0.01 0.00 0.00 72.50 71.38 3g72 s THR 28 CO 0.00 0.01 1.13 -2.16 -0.69 0.00 0.00 174.62 172.91 3g72 s PRO 29 N 1.69 1.70 0.08 4.92 0.04 -1.26 -0.99 135.00 141.17 3g72 s PRO 29 Ca -0.00 0.39 -0.31 0.00 0.04 0.00 0.00 61.00 61.12 3g72 s PRO 29 Cb -0.16 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 3g72 s PRO 29 CO -0.07 -1.84 1.42 -2.14 0.04 0.00 0.00 177.00 174.41 3g72 s PRO 30 N -5.28 4.29 -0.26 0.56 0.02 -1.18 -4.89 135.00 128.26 3g72 s PRO 30 Ca 0.62 2.07 -0.16 0.00 0.02 0.00 0.00 61.00 63.55 3g72 s PRO 30 Cb -0.14 -3.38 -0.03 0.00 0.02 0.00 0.00 34.50 30.97 3g72 s PRO 30 CO 0.53 -0.51 0.44 -0.65 -0.33 0.00 0.00 177.00 176.48 3g72 s GLN 31 N 1.65 4.05 0.13 5.54 -0.21 0.58 -4.83 119.66 126.57 3g72 s GLN 31 Ca 0.65 0.18 -0.10 0.00 0.02 0.00 0.00 55.36 56.12 3g72 s GLN 31 Cb -0.36 -3.65 -0.06 0.00 1.00 0.00 0.00 33.01 29.95 3g72 s GLN 31 CO 0.29 -0.29 0.46 0.95 -2.12 0.00 0.00 175.29 174.57 3g72 s THR 32 N 2.12 5.03 -0.03 -0.19 -4.23 -1.26 -0.42 115.64 116.66 3g72 s THR 32 Ca 0.18 0.45 -0.03 0.00 -1.18 0.00 0.00 61.69 61.11 3g72 s THR 32 Cb -0.16 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 70.04 3g72 s THR 32 CO 0.09 0.16 0.09 -0.36 -0.54 0.00 0.00 174.62 174.06 3g72 s PHE 33 N -1.55 -0.06 -0.07 3.99 0.08 -0.62 -4.98 117.98 114.78 3g72 s PHE 33 Ca 0.38 0.16 -0.23 0.00 0.12 0.00 0.00 56.93 57.37 3g72 s PHE 33 Cb -0.13 0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.29 3g72 s PHE 33 CO 0.20 -0.08 0.67 0.15 -0.10 0.00 0.00 175.22 176.06 3g72 s LYS 34 N -0.19 4.42 0.03 0.44 1.02 -1.26 -1.47 119.74 122.73 3g72 s LYS 34 Ca -0.03 0.83 0.02 0.00 0.02 0.00 0.00 55.97 56.82 3g72 s LYS 34 Cb -0.02 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.83 3g72 s LYS 34 CO 0.00 0.09 -0.08 0.14 -0.92 0.00 0.00 175.35 174.58 3g72 s VAL 35 N 0.73 0.56 0.02 3.17 -7.23 0.40 -0.09 120.40 117.96 3g72 s VAL 35 Ca 0.36 -0.84 -0.25 0.00 -1.81 0.00 0.00 61.98 59.44 3g72 s VAL 35 Cb -0.17 -0.57 -0.05 0.00 0.56 0.00 0.00 36.38 36.14 3g72 s VAL 35 CO 0.17 -0.21 0.78 -0.69 -0.31 0.00 0.00 175.10 174.84 3g72 s VAL 36 N -0.99 4.81 -0.39 1.32 1.01 -0.29 -1.54 120.40 124.33 3g72 s VAL 36 Ca -0.06 1.65 -0.23 0.00 0.00 0.00 0.00 61.98 63.35 3g72 s VAL 36 Cb -0.08 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.19 3g72 s VAL 36 CO 0.00 0.31 0.76 -0.36 0.00 0.00 0.00 175.10 175.81 3g72 s PHE 37 N 0.25 3.08 -0.29 5.22 0.40 -1.26 -0.38 117.98 125.00 3g72 s PHE 37 Ca 0.40 0.39 0.03 0.00 -0.60 0.00 0.00 56.93 57.15 3g72 s PHE 37 Cb -0.20 -3.44 0.07 0.00 0.51 0.00 0.00 43.02 39.96 3g72 s PHE 37 CO 0.23 -0.80 -0.05 0.34 0.70 0.00 0.00 175.22 175.64 3g72 s ASP 38 N 1.93 4.59 0.28 1.36 2.15 -0.29 -4.09 116.67 122.60 3g72 s ASP 38 Ca 0.30 -1.60 0.24 0.00 0.43 0.00 0.00 52.55 51.91 3g72 s ASP 38 Cb -0.13 -1.59 1.02 0.00 -0.30 0.00 0.00 42.92 41.92 3g72 s ASP 38 CO 0.18 -0.25 1.72 0.35 -0.17 0.00 0.00 175.17 177.00 3g72 n THR 39 N 4.40 0.83 1.65 1.71 -2.24 -1.26 0.20 114.28 119.58 3g72 n THR 39 Ca -0.09 0.27 0.08 0.00 -2.27 0.00 0.00 64.05 62.04 3g72 n THR 39 Cb 0.42 -1.22 0.40 0.00 -2.10 0.00 0.00 70.33 67.84 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 -0.11 -0.44 3.36 3.38 0.00 -1.26 -4.04 105.19 106.08 3g72 n GLY 40 Ca 0.02 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.47 -0.04 0.00 1.61 1.04 -1.10 -4.99 113.70 108.75 3g72 s SER 41 Ca 0.26 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.99 3g72 s SER 41 Cb 0.13 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3g72 s SER 41 CO 0.20 -0.90 0.24 -1.20 0.98 0.00 0.00 173.24 172.56 3g72 n SER 42 N -0.22 0.48 -4.68 7.02 7.64 -1.26 -0.19 113.62 122.41 3g72 n SER 42 Ca -0.10 -0.78 -0.30 0.00 1.01 0.00 0.00 58.87 58.71 3g72 n SER 42 Cb 0.63 0.26 -0.08 0.00 -1.01 0.00 0.00 64.21 64.00 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 -0.26 4.96 -0.06 6.43 -0.87 -1.26 -4.35 114.94 119.52 3g72 s ASN 43 Ca 0.00 -0.22 -0.22 0.00 -1.57 0.00 0.00 52.86 50.85 3g72 s ASN 43 Cb 0.00 -1.15 -0.04 0.00 -0.02 0.00 0.00 41.25 40.04 3g72 s ASN 43 CO 0.00 0.16 0.64 -0.69 -2.57 0.00 0.00 177.10 174.64 3g72 s VAL 44 N -1.36 5.03 -0.03 1.60 1.01 -1.26 -0.76 120.40 124.63 3g72 s VAL 44 Ca 0.26 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.56 3g72 s VAL 44 Cb -0.11 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.31 3g72 s VAL 44 CO 0.18 0.31 -0.04 0.26 0.00 0.00 0.00 175.10 175.80 3g72 s TRP 45 N 0.51 0.67 0.21 5.22 0.52 -0.33 0.23 118.94 125.98 3g72 s TRP 45 Ca 0.34 -0.17 0.05 0.00 0.02 0.00 0.00 56.10 56.34 3g72 s TRP 45 Cb -0.17 -0.58 -0.05 0.00 -1.15 0.00 0.00 33.47 31.51 3g72 s TRP 45 CO 0.17 -0.15 -0.07 0.14 0.02 0.00 0.00 176.95 177.06 3g72 s VAL 46 N 0.72 1.31 0.37 4.03 -7.23 -0.64 -1.34 120.40 117.61 3g72 s VAL 46 Ca -0.09 -2.09 -0.27 0.00 -1.81 0.00 0.00 61.98 57.72 3g72 s VAL 46 Cb -0.12 -2.16 -0.09 0.00 0.56 0.00 0.00 36.38 34.56 3g72 s VAL 46 CO 0.00 -0.50 1.25 -2.84 -0.31 0.00 0.00 175.10 172.70 3g72 s PRO 47 N -3.76 4.18 0.20 4.82 0.02 -1.26 -0.44 135.00 138.77 3g72 s PRO 47 Ca 0.24 2.05 -0.18 0.00 0.02 0.00 0.00 61.00 63.13 3g72 s PRO 47 Cb 0.03 -2.87 -0.08 0.00 0.02 0.00 0.00 34.50 31.60 3g72 s PRO 47 CO 0.06 -0.28 0.67 0.45 -0.33 0.00 0.00 177.00 177.58 3g72 s SER 48 N -0.79 6.96 0.59 2.53 0.15 0.75 0.51 113.70 124.41 3g72 s SER 48 Ca 0.53 1.30 0.39 0.00 0.70 0.00 0.00 55.95 58.87 3g72 s SER 48 Cb -0.36 -2.37 2.04 0.00 -1.71 0.00 0.00 66.02 63.62 3g72 s SER 48 CO 0.46 0.04 2.20 0.77 1.20 0.00 0.00 173.24 177.91 3g72 h SER 49 N 3.38 0.00 0.17 5.45 4.64 -1.19 -0.61 113.55 125.39 3g72 h SER 49 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3g72 h SER 49 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 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 -2.96 0.67 -2.43 4.77 4.01 -1.26 -4.79 118.16 116.17 3g72 n LYS 50 Ca -0.02 0.02 -0.42 0.00 -0.51 0.00 0.00 58.31 57.37 3g72 n LYS 50 Cb 0.12 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.11 3g72 n LYS 50 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3g72 n SER 52 N 4.56 1.71 0.00 0.00 2.88 -1.26 -4.87 113.62 116.65 3g72 n SER 52 Ca 0.10 1.15 0.11 0.00 -1.33 0.00 0.00 58.87 58.90 3g72 n SER 52 Cb 0.46 -1.36 0.64 0.00 -0.75 0.00 0.00 64.21 63.20 3g72 n SER 52 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3g72 n ARG 53 N 0.52 0.58 -0.06 -1.46 1.85 -1.26 -1.79 116.66 115.04 3g72 n ARG 53 Ca 0.08 0.03 0.09 0.00 -1.00 0.00 0.00 57.85 57.05 3g72 n ARG 53 Cb 0.35 -1.50 0.38 0.00 -1.05 0.00 0.00 32.46 30.64 3g72 n ARG 53 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3g72 n LEU 54 N -1.11 1.04 -4.54 2.89 4.32 -1.26 -4.64 117.00 113.70 3g72 n LEU 54 Ca 0.15 -0.45 -0.42 0.00 -0.02 0.00 0.00 56.01 55.27 3g72 n LEU 54 Cb 0.12 -0.08 -0.08 0.00 -1.62 0.00 0.00 43.42 41.76 3g72 n LEU 54 CO 0.15 0.22 0.22 -0.31 -1.22 0.00 0.00 177.39 176.45 3g72 s TYR 55 N -1.85 3.16 0.24 -1.77 2.02 -0.74 -4.97 117.35 113.45 3g72 s TYR 55 Ca 0.28 0.04 -0.05 0.00 -0.37 0.00 0.00 57.07 56.97 3g72 s TYR 55 Cb 0.14 -2.98 0.39 0.00 -0.40 0.00 0.00 41.96 39.12 3g72 s TYR 55 CO 0.22 -0.61 1.79 1.15 -1.57 0.00 0.00 175.55 176.53 3g72 h THR 56 N 5.67 0.86 -0.14 -0.71 2.02 -1.88 0.92 112.91 119.65 3g72 h THR 56 Ca -0.27 -0.24 0.04 0.00 0.77 0.00 0.00 66.41 66.71 3g72 h THR 56 Cb 1.12 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3g72 h THR 56 CO 0.79 0.13 0.11 0.00 0.37 0.00 0.00 175.52 176.91 3g72 h ALA 57 N 1.46 2.06 0.16 6.16 0.00 -1.85 -1.97 119.26 125.28 3g72 h ALA 57 Ca 0.39 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.97 3g72 h ALA 57 Cb 0.41 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.21 3g72 h ALA 57 CO -0.27 -0.18 -1.55 0.00 0.00 0.00 0.00 179.25 177.25 3g72 h VAL 59 N 0.09 1.16 -0.15 0.00 3.04 -0.34 -2.46 116.25 117.59 3g72 h VAL 59 Ca -0.26 -0.66 0.00 0.00 -1.01 0.00 0.00 66.70 64.77 3g72 h VAL 59 Cb 2.06 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 32.39 3g72 h VAL 59 CO 0.19 0.22 0.00 -1.22 -1.01 0.00 0.00 177.57 175.74 3g72 n TYR 60 N -4.32 0.19 -4.46 3.17 0.53 -0.96 -4.89 117.16 106.42 3g72 n TYR 60 Ca 0.00 -0.09 -0.23 0.00 -1.02 0.00 0.00 57.90 56.56 3g72 n TYR 60 Cb 0.23 0.00 -0.10 0.00 -1.03 0.00 0.00 39.34 38.43 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 -1.81 2.13 0.39 -0.72 3.76 -0.93 -5.05 115.29 113.06 3g72 s HIS 61 Ca 0.34 -0.51 -0.24 0.00 -0.15 0.00 0.00 55.06 54.50 3g72 s HIS 61 Cb 0.19 -1.08 -0.09 0.00 1.11 0.00 0.00 32.58 32.71 3g72 s HIS 61 CO 0.29 0.51 1.05 0.15 -0.85 0.00 0.00 174.74 175.90 3g72 s LYS 62 N -3.61 4.18 -0.09 1.40 -0.14 -1.26 -4.96 119.74 115.26 3g72 s LYS 62 Ca 0.29 1.53 0.04 0.00 -1.36 0.00 0.00 55.97 56.47 3g72 s LYS 62 Cb -0.00 -2.57 -0.00 0.00 -1.68 0.00 0.00 37.83 33.57 3g72 s LYS 62 CO 0.13 -0.13 -0.24 -0.51 -0.76 0.00 0.00 175.35 173.85 3g72 s LEU 63 N -2.58 2.07 0.05 3.17 1.43 -1.26 -4.39 118.68 117.17 3g72 s LEU 63 Ca 0.57 -0.54 -0.31 0.00 -1.03 0.00 0.00 54.13 52.82 3g72 s LEU 63 Cb -0.23 -1.38 -0.06 0.00 0.03 0.00 0.00 46.19 44.55 3g72 s LEU 63 CO 0.28 0.16 1.34 0.12 0.23 0.00 0.00 176.35 178.49 3g72 s PHE 64 N 0.30 3.15 -0.30 0.29 5.36 0.18 -4.60 117.98 122.36 3g72 s PHE 64 Ca -0.17 1.00 0.03 0.00 -0.96 0.00 0.00 56.93 56.82 3g72 s PHE 64 Cb -0.17 -3.60 0.08 0.00 -0.34 0.00 0.00 43.02 38.98 3g72 s PHE 64 CO 0.08 -2.10 -0.02 0.34 -1.46 0.00 0.00 175.22 172.07 3g72 s ASP 65 N 1.39 4.66 0.47 6.13 -1.08 -1.26 -0.75 116.67 126.23 3g72 s ASP 65 Ca 0.63 -1.71 0.18 0.00 -0.52 0.00 0.00 52.55 51.13 3g72 s ASP 65 Cb -0.33 -1.61 1.14 0.00 -1.46 0.00 0.00 42.92 40.67 3g72 s ASP 65 CO 0.28 -0.29 2.02 0.00 0.52 0.00 0.00 175.17 177.70 3g72 h ALA 66 N 7.75 1.56 0.00 3.66 0.00 -1.95 -1.23 119.26 129.05 3g72 h ALA 66 Ca -0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3g72 h ALA 66 Cb 1.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3g72 h ALA 66 CO 0.50 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.83 3g72 n SER 67 N -4.11 0.00 -0.63 0.00 3.41 -1.26 -1.76 113.62 109.28 3g72 n SER 67 Ca -0.02 0.27 0.08 0.00 -0.26 0.00 0.00 58.87 58.94 3g72 n SER 67 Cb 0.24 -0.39 0.07 0.00 -0.26 0.00 0.00 64.21 63.88 3g72 n SER 67 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3g72 n ASP 68 N -1.39 2.33 -4.33 4.04 8.00 -0.47 -4.97 116.55 119.77 3g72 n ASP 68 Ca 0.05 -1.66 -0.33 0.00 0.71 0.00 0.00 54.79 53.57 3g72 n ASP 68 Cb 0.14 -0.02 -0.15 0.00 -0.02 0.00 0.00 41.12 41.07 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 -1.26 3.70 0.18 -2.24 0.15 -0.72 -4.26 113.70 109.24 3g72 s SER 69 Ca 0.19 -0.40 0.25 0.00 0.70 0.00 0.00 55.95 56.69 3g72 s SER 69 Cb 0.13 -1.48 0.62 0.00 -1.71 0.00 0.00 66.02 63.58 3g72 s SER 69 CO 0.19 0.18 1.59 -1.54 1.20 0.00 0.00 173.24 174.86 3g72 n SER 70 N 3.43 0.78 -0.69 5.45 3.41 -0.16 -3.67 113.62 122.18 3g72 n SER 70 Ca -0.18 0.40 0.10 0.00 -0.26 0.00 0.00 58.87 58.93 3g72 n SER 70 Cb 0.53 -0.42 0.05 0.00 -0.26 0.00 0.00 64.21 64.11 3g72 n SER 70 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3g72 n SER 71 N -2.21 2.41 -4.77 4.04 3.41 -1.26 -4.97 113.62 110.27 3g72 n SER 71 Ca 0.05 -1.71 -0.40 0.00 -0.26 0.00 0.00 58.87 56.55 3g72 n SER 71 Cb 0.44 0.20 0.01 0.00 -0.26 0.00 0.00 64.21 64.59 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 -1.99 2.59 -0.17 7.33 6.14 -1.24 -4.58 117.35 125.43 3g72 s TYR 72 Ca 0.21 1.26 0.00 0.00 0.64 0.00 0.00 57.07 59.19 3g72 s TYR 72 Cb 0.17 -3.91 0.03 0.00 0.42 0.00 0.00 41.96 38.68 3g72 s TYR 72 CO 0.37 -2.77 -0.10 0.15 0.64 0.00 0.00 175.55 173.83 3g72 s LYS 73 N -2.26 1.96 0.50 4.97 1.02 0.04 -5.01 119.74 120.96 3g72 s LYS 73 Ca 0.57 -0.63 -0.21 0.00 0.02 0.00 0.00 55.97 55.72 3g72 s LYS 73 Cb -0.44 -2.16 -0.09 0.00 -0.52 0.00 0.00 37.83 34.63 3g72 s LYS 73 CO 0.57 -0.35 0.81 1.58 -0.92 0.00 0.00 175.35 177.04 3g72 n HIS 74 N 4.77 0.38 0.00 3.18 -0.00 -1.26 -1.81 115.22 120.49 3g72 n HIS 74 Ca -0.15 0.51 0.00 0.00 -0.00 0.00 0.00 57.72 58.08 3g72 n HIS 74 Cb 0.48 -2.10 0.00 0.00 -0.00 0.00 0.00 29.99 28.37 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 0.31 0.00 0.00 0.26 2.85 -1.23 -4.80 115.26 112.66 3g72 n ASN 75 Ca 0.11 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 3g72 n ASN 75 Cb 0.43 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.45 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 2.14 0.34 3.67 8.20 0.00 -0.44 -4.98 105.19 114.12 3g72 n GLY 76 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.97 0.62 -2.00 2.61 -1.04 -1.26 -4.57 114.28 106.66 3g72 n THR 77 Ca 0.00 -0.11 -0.41 0.00 -2.04 0.00 0.00 64.05 61.49 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 3.86 4.26 0.04 -2.82 2.02 -1.26 -0.02 118.70 124.78 3g72 s GLU 78 Ca 0.87 2.32 0.03 0.00 0.02 0.00 0.00 54.97 58.22 3g72 s GLU 78 Cb -0.49 -3.09 -0.02 0.00 0.10 0.00 0.00 34.13 30.63 3g72 s GLU 78 CO 0.42 -0.41 -0.09 -0.48 0.02 0.00 0.00 175.26 174.72 3g72 s LEU 79 N -0.64 2.21 -0.01 1.80 2.34 0.09 -4.91 118.68 119.57 3g72 s LEU 79 Ca 0.58 -0.47 0.01 0.00 0.06 0.00 0.00 54.13 54.31 3g72 s LEU 79 Cb -0.42 -0.29 0.00 0.00 -0.56 0.00 0.00 46.19 44.92 3g72 s LEU 79 CO 0.46 -0.11 -0.02 -0.89 -1.06 0.00 0.00 176.35 174.73 3g72 s THR 80 N -1.08 0.18 -0.20 5.48 2.01 -1.26 -0.90 115.64 119.87 3g72 s THR 80 Ca -0.05 -0.06 -0.02 0.00 0.31 0.00 0.00 61.69 61.87 3g72 s THR 80 Cb -0.08 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.24 3g72 s THR 80 CO 0.01 0.07 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.68 3g72 s LEU 81 N 0.17 2.60 -1.01 4.42 0.20 0.12 -5.01 118.68 120.17 3g72 s LEU 81 Ca -0.01 -0.50 -0.23 0.00 0.69 0.00 0.00 54.13 54.08 3g72 s LEU 81 Cb -0.04 -1.64 0.05 0.00 -0.43 0.00 0.00 46.19 44.13 3g72 s LEU 81 CO -0.00 -0.01 1.45 -0.13 -0.29 0.00 0.00 176.35 177.36 3g72 s ARG 82 N 1.40 3.56 0.48 1.98 0.52 -1.26 0.06 118.95 125.68 3g72 s ARG 82 Ca 0.05 -1.07 -0.09 0.00 -0.52 0.00 0.00 55.73 54.11 3g72 s ARG 82 Cb -0.14 -5.30 -0.05 0.00 0.52 0.00 0.00 34.95 29.98 3g72 s ARG 82 CO -0.07 -2.22 0.83 -0.47 0.02 0.00 0.00 175.30 173.39 3g72 s TYR 83 N 5.07 3.53 0.22 -0.53 6.14 -0.99 -4.98 117.35 125.82 3g72 s TYR 83 Ca 0.46 1.01 -0.15 0.00 0.64 0.00 0.00 57.07 59.02 3g72 s TYR 83 Cb -0.00 -2.44 0.26 0.00 0.42 0.00 0.00 41.96 40.19 3g72 s TYR 83 CO -0.09 -0.28 1.58 0.77 0.64 0.00 0.00 175.55 178.17 3g72 h SER 84 N 0.56 -1.00 -0.23 4.32 0.02 -1.98 -1.77 113.55 113.48 3g72 h SER 84 Ca -0.47 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3g72 h SER 84 Cb 1.19 0.57 0.00 0.00 0.14 0.00 0.00 62.40 64.31 3g72 h SER 84 CO 0.62 -0.28 0.00 0.35 -1.14 0.00 0.00 176.83 176.38 3g72 n THR 85 N -5.49 0.30 0.00 -2.27 -2.24 -1.26 -5.02 114.28 98.29 3g72 n THR 85 Ca 0.09 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3g72 n THR 85 Cb 0.39 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 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 1.14 2.54 3.73 3.38 0.00 -0.66 -4.82 105.19 110.49 3g72 n GLY 86 Ca 0.15 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.85 4.30 -0.21 2.61 2.01 -1.26 -2.35 115.64 118.89 3g72 s THR 87 Ca 0.00 1.87 -0.10 0.00 0.31 0.00 0.00 61.69 63.77 3g72 s THR 87 Cb 0.00 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 3g72 s THR 87 CO 0.00 0.26 0.13 -0.69 -0.69 0.00 0.00 174.62 173.63 3g72 s VAL 88 N 0.16 5.25 0.14 3.82 1.01 0.11 -4.01 120.40 126.89 3g72 s VAL 88 Ca 0.50 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.50 3g72 s VAL 88 Cb -0.26 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.72 3g72 s VAL 88 CO 0.31 0.40 0.32 -0.94 0.00 0.00 0.00 175.10 175.19 3g72 s SER 89 N 0.68 -0.04 0.00 3.32 1.04 -0.39 0.12 113.70 118.43 3g72 s SER 89 Ca 0.07 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.86 3g72 s SER 89 Cb -0.12 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3g72 s SER 89 CO 0.01 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.97 3g72 n GLY 90 N -0.20 1.32 3.21 7.32 0.00 -0.08 -1.50 105.19 115.26 3g72 n GLY 90 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 0.58 0.13 0.23 1.61 -0.12 -0.61 -0.73 117.98 119.06 3g72 s PHE 91 Ca 0.00 -0.54 -0.24 0.00 -0.05 0.00 0.00 56.93 56.10 3g72 s PHE 91 Cb 0.00 -0.05 -0.09 0.00 -0.63 0.00 0.00 43.02 42.26 3g72 s PHE 91 CO 0.00 -0.54 0.80 -0.51 -0.05 0.00 0.00 175.22 174.92 3g72 s LEU 92 N -2.79 4.44 0.11 -1.99 1.43 0.97 -0.16 118.68 120.69 3g72 s LEU 92 Ca 0.04 1.62 -0.07 0.00 -1.03 0.00 0.00 54.13 54.68 3g72 s LEU 92 Cb 0.04 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.67 3g72 s LEU 92 CO -0.10 0.08 0.18 -0.44 0.23 0.00 0.00 176.35 176.29 3g72 s SER 93 N -1.45 0.15 -0.05 2.29 0.01 -0.41 -1.33 113.70 112.92 3g72 s SER 93 Ca 0.42 -0.80 0.05 0.00 1.31 0.00 0.00 55.95 56.93 3g72 s SER 93 Cb -0.20 0.35 -0.00 0.00 0.21 0.00 0.00 66.02 66.37 3g72 s SER 93 CO 0.24 -0.76 -0.20 -1.58 0.41 0.00 0.00 173.24 171.35 3g72 s GLN 94 N -3.91 2.12 0.30 12.44 0.74 -0.75 -0.87 119.66 129.74 3g72 s GLN 94 Ca 0.10 -0.72 -0.09 0.00 0.05 0.00 0.00 55.36 54.70 3g72 s GLN 94 Cb 0.05 -1.80 0.01 0.00 1.10 0.00 0.00 33.01 32.36 3g72 s GLN 94 CO -0.07 0.28 0.52 0.34 -0.55 0.00 0.00 175.29 175.81 3g72 s ASP 95 N 0.01 0.32 -0.12 6.67 -1.08 -0.71 -0.78 116.67 120.97 3g72 s ASP 95 Ca -0.05 -1.18 -0.30 0.00 -0.52 0.00 0.00 52.55 50.50 3g72 s ASP 95 Cb -0.13 0.65 -0.02 0.00 -1.46 0.00 0.00 42.92 41.97 3g72 s ASP 95 CO 0.03 -1.28 1.19 -0.63 0.52 0.00 0.00 175.17 175.01 3g72 s ILE 96 N -3.39 4.35 -0.12 4.11 1.01 -1.26 -0.73 121.20 125.17 3g72 s ILE 96 Ca 0.25 1.65 0.00 0.00 0.00 0.00 0.00 60.65 62.55 3g72 s ILE 96 Cb -0.01 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 3g72 s ILE 96 CO 0.14 -0.07 -0.12 -0.63 0.00 0.00 0.00 174.94 174.25 3g72 s ILE 97 N 2.80 3.14 -0.18 2.92 1.01 0.14 -0.99 121.20 130.04 3g72 s ILE 97 Ca 0.54 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 60.50 3g72 s ILE 97 Cb -0.22 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 3g72 s ILE 97 CO 0.17 0.53 -0.01 0.42 0.00 0.00 0.00 174.94 176.06 3g72 s THR 98 N 0.17 4.09 -0.16 2.92 -4.23 0.14 -1.02 115.64 117.56 3g72 s THR 98 Ca -0.07 -0.28 -0.00 0.00 -1.18 0.00 0.00 61.69 60.16 3g72 s THR 98 Cb -0.15 -2.82 0.04 0.00 1.34 0.00 0.00 72.50 70.91 3g72 s THR 98 CO 0.05 0.46 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.84 3g72 s VAL 99 N 0.57 1.15 0.00 2.29 1.01 -0.12 -1.09 120.40 124.22 3g72 s VAL 99 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3g72 s VAL 99 Cb -0.14 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.96 3g72 s VAL 99 CO 0.02 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.93 3g72 n GLY 100 N 4.87 3.06 0.76 4.51 0.00 -1.26 -0.65 105.19 116.47 3g72 n GLY 100 Ca -0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.96 3.77 -0.02 0.00 -1.26 -4.88 105.19 103.77 3g72 n GLY 101 Ca 0.00 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.59 5.02 -0.12 -0.61 1.01 0.18 -5.08 121.20 120.00 3g72 s ILE 102 Ca 0.24 0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.95 3g72 s ILE 102 Cb 0.14 -3.18 0.01 0.00 0.01 0.00 0.00 42.46 39.44 3g72 s ILE 102 CO 0.15 0.58 -0.21 -0.89 0.00 0.00 0.00 174.94 174.57 3g72 s THR 103 N -0.72 1.95 -0.01 2.92 2.01 -1.26 -0.94 115.64 119.59 3g72 s THR 103 Ca 0.12 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 3g72 s THR 103 Cb -0.12 -1.72 0.00 0.00 0.01 0.00 0.00 72.50 70.68 3g72 s THR 103 CO 0.03 0.53 0.03 0.54 -0.69 0.00 0.00 174.62 175.06 3g72 s VAL 104 N 0.70 -0.00 -0.21 3.82 0.11 -0.19 -4.98 120.40 119.65 3g72 s VAL 104 Ca -0.11 0.01 -0.28 0.00 -2.93 0.00 0.00 61.98 58.68 3g72 s VAL 104 Cb -0.16 -0.05 0.00 0.00 -1.53 0.00 0.00 36.38 34.64 3g72 s VAL 104 CO 0.01 0.01 0.98 -0.89 -3.33 0.00 0.00 175.10 171.88 3g72 s THR 105 N 0.08 4.74 -0.01 5.04 2.01 -1.26 0.25 115.64 126.49 3g72 s THR 105 Ca -0.01 1.92 0.01 0.00 0.31 0.00 0.00 61.69 63.92 3g72 s THR 105 Cb -0.01 -4.26 0.01 0.00 0.01 0.00 0.00 72.50 68.25 3g72 s THR 105 CO -0.00 -0.11 -0.02 -1.58 -0.69 0.00 0.00 174.62 172.21 3g72 s GLN 106 N 2.86 0.25 0.03 4.92 2.00 0.09 -4.96 119.66 124.85 3g72 s GLN 106 Ca 0.43 -0.04 -0.23 0.00 -2.00 0.00 0.00 55.36 53.51 3g72 s GLN 106 Cb -0.16 -0.30 -0.06 0.00 0.80 0.00 0.00 33.01 33.29 3g72 s GLN 106 CO 0.09 -0.00 0.69 -1.64 -0.50 0.00 0.00 175.29 173.92 3g72 s MET 107 N 0.28 4.42 0.05 1.67 -1.94 -1.26 -1.75 119.30 120.77 3g72 s MET 107 Ca -0.03 0.92 -0.03 0.00 -1.71 0.00 0.00 55.69 54.84 3g72 s MET 107 Cb -0.05 -3.35 -0.02 0.00 2.01 0.00 0.00 34.83 33.42 3g72 s MET 107 CO -0.01 0.34 0.04 -0.59 -0.01 0.00 0.00 175.02 174.80 3g72 s PHE 108 N -0.20 0.33 -0.05 -0.03 -0.71 -0.05 -4.57 117.98 112.69 3g72 s PHE 108 Ca 0.35 -0.74 -0.21 0.00 -1.04 0.00 0.00 56.93 55.28 3g72 s PHE 108 Cb -0.20 -0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.33 3g72 s PHE 108 CO 0.21 -0.37 0.62 0.20 -1.34 0.00 0.00 175.22 174.54 3g72 s GLY 109 N -2.45 2.58 -0.40 1.99 0.00 0.14 -1.28 107.32 107.89 3g72 s GLY 109 Ca -0.00 0.04 -0.18 0.00 0.00 0.00 0.00 44.72 44.57 3g72 s GLY 109 CO -0.07 0.95 0.52 -0.54 0.00 0.00 0.00 173.10 173.96 3g72 s GLU 110 N 0.40 3.31 -0.04 2.90 2.02 0.77 -1.62 118.70 126.44 3g72 s GLU 110 Ca 0.33 -0.47 -0.30 0.00 0.02 0.00 0.00 54.97 54.55 3g72 s GLU 110 Cb -0.17 -3.91 -0.03 0.00 0.10 0.00 0.00 34.13 30.11 3g72 s GLU 110 CO 0.16 -0.83 1.16 0.08 0.02 0.00 0.00 175.26 175.85 3g72 s VAL 111 N 2.41 4.32 -0.29 2.63 1.01 0.42 -1.58 120.40 129.32 3g72 s VAL 111 Ca 0.17 1.65 0.09 0.00 0.00 0.00 0.00 61.98 63.89 3g72 s VAL 111 Cb -0.16 -4.06 -0.12 0.00 0.00 0.00 0.00 36.38 32.05 3g72 s VAL 111 CO 0.15 0.03 0.33 0.35 0.00 0.00 0.00 175.10 175.96 3g72 n THR 112 N 4.43 0.00 -3.68 3.92 -2.24 -0.56 -0.18 114.28 115.97 3g72 n THR 112 Ca 0.10 -0.26 -0.14 0.00 -2.27 0.00 0.00 64.05 61.48 3g72 n THR 112 Cb 0.47 0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 69.37 3g72 n THR 112 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3g72 s GLU 113 N -2.14 0.68 0.14 -0.78 -1.05 -1.11 -4.02 118.70 110.42 3g72 s GLU 113 Ca 0.01 0.57 -0.24 0.00 -0.15 0.00 0.00 54.97 55.17 3g72 s GLU 113 Cb 0.07 0.33 0.07 0.00 -0.44 0.00 0.00 34.13 34.15 3g72 s GLU 113 CO 0.39 -0.12 0.68 0.00 0.95 0.00 0.00 175.26 177.16 3g72 s MET 114 N -0.08 1.22 0.62 -4.83 0.23 -1.26 -1.27 119.30 113.94 3g72 s MET 114 Ca -0.03 -0.48 -0.19 0.00 -1.03 0.00 0.00 55.69 53.96 3g72 s MET 114 Cb -0.03 0.54 -0.02 0.00 -1.53 0.00 0.00 34.83 33.79 3g72 s MET 114 CO 0.02 -0.54 1.32 -2.14 -2.03 0.00 0.00 175.02 171.65 3g72 s PRO 115 N -3.62 2.69 0.37 3.16 0.02 -1.26 -4.85 135.00 131.51 3g72 s PRO 115 Ca 0.03 2.13 0.08 0.00 0.02 0.00 0.00 61.00 63.26 3g72 s PRO 115 Cb -0.01 -1.96 0.73 0.00 0.02 0.00 0.00 34.50 33.28 3g72 s PRO 115 CO -0.10 -1.51 1.91 0.00 -0.33 0.00 0.00 177.00 176.97 3g72 h ALA 116 N 0.79 1.47 -3.44 -1.55 0.00 -1.98 -3.35 119.26 111.20 3g72 h ALA 116 Ca -0.51 -0.19 -0.66 0.00 0.00 0.00 0.00 54.91 53.54 3g72 h ALA 116 Cb 1.33 -0.11 -0.26 0.00 0.00 0.00 0.00 17.79 18.75 3g72 h ALA 116 CO 0.54 0.37 -0.77 -0.51 0.00 0.00 0.00 179.25 178.89 3g72 s LEU 117 N -8.89 2.72 0.00 0.00 1.43 -1.26 -0.70 118.68 111.98 3g72 s LEU 117 Ca -0.06 -0.30 0.23 0.00 -1.03 0.00 0.00 54.13 52.96 3g72 s LEU 117 Cb 0.15 -1.60 0.71 0.00 0.03 0.00 0.00 46.19 45.48 3g72 s LEU 117 CO 0.74 0.20 1.54 -0.81 0.23 0.00 0.00 176.35 178.25 3g72 n PRO 118 N 3.31 1.89 -0.03 1.29 -0.04 -1.26 -4.71 135.00 135.45 3g72 n PRO 118 Ca -0.18 -1.33 0.04 0.00 -0.04 0.00 0.00 63.50 61.99 3g72 n PRO 118 Cb 0.53 -1.44 0.41 0.00 -0.04 0.00 0.00 33.50 32.96 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 2.81 0.56 0.00 0.54 0.04 -1.62 -0.38 116.94 118.89 3g72 h PHE 119 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3g72 h PHE 119 Cb 0.61 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.57 3g72 h PHE 119 CO 0.10 0.35 0.00 0.00 -0.60 0.00 0.00 178.31 178.16 3g72 n MET 120 N -4.47 0.10 0.02 1.51 0.00 0.12 -2.40 117.12 112.00 3g72 n MET 120 Ca 0.04 0.35 0.11 0.00 0.00 0.00 0.00 57.70 58.20 3g72 n MET 120 Cb 0.07 -1.70 0.02 0.00 0.00 0.00 0.00 33.22 31.61 3g72 n MET 120 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3g72 n LEU 121 N -1.90 0.63 -4.69 3.17 4.77 -0.16 -4.90 117.00 113.92 3g72 n LEU 121 Ca 0.03 -0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.50 3g72 n LEU 121 Cb 0.20 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3g72 n LEU 121 CO 0.17 0.08 1.36 0.00 -1.33 0.00 0.00 177.39 177.66 3g72 s ALA 122 N -3.16 3.70 -0.57 -1.18 0.00 -1.01 -4.89 121.76 114.65 3g72 s ALA 122 Ca 0.05 1.25 0.26 0.00 0.00 0.00 0.00 51.96 53.51 3g72 s ALA 122 Cb 0.15 -3.71 0.81 0.00 0.00 0.00 0.00 23.12 20.37 3g72 s ALA 122 CO 0.80 -1.14 1.75 0.93 0.00 0.00 0.00 175.76 178.10 3g72 h GLU 123 N 8.44 0.00 -6.47 0.00 4.39 -1.90 -3.45 114.58 115.59 3g72 h GLU 123 Ca -0.43 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 58.80 3g72 h GLU 123 Cb 1.20 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.86 3g72 h GLU 123 CO 0.93 0.00 -0.23 -0.59 -1.16 0.00 0.00 179.01 177.96 3g72 s PHE 124 N -3.20 3.43 -0.09 4.33 -0.71 -1.26 -4.96 117.98 115.51 3g72 s PHE 124 Ca 0.08 0.23 0.15 0.00 -1.04 0.00 0.00 56.93 56.35 3g72 s PHE 124 Cb 0.10 -1.89 -0.22 0.00 -1.21 0.00 0.00 43.02 39.80 3g72 s PHE 124 CO 0.56 0.11 0.57 -0.25 -1.34 0.00 0.00 175.22 174.88 3g72 n ASP 125 N -1.74 0.67 -1.70 1.98 8.00 0.87 -4.99 116.55 119.64 3g72 n ASP 125 Ca -0.05 0.31 -0.04 0.00 0.71 0.00 0.00 54.79 55.73 3g72 n ASP 125 Cb 0.57 0.26 0.01 0.00 -0.02 0.00 0.00 41.12 41.93 3g72 n ASP 125 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g72 n GLY 126 N 1.55 1.82 3.14 0.44 0.00 -0.46 -4.04 105.19 107.64 3g72 n GLY 126 Ca -0.18 -1.17 -0.20 0.00 0.00 0.00 0.00 46.02 44.47 3g72 n GLY 126 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g72 s VAL 127 N -2.64 1.11 -0.35 1.61 -7.23 -0.45 -1.14 120.40 111.31 3g72 s VAL 127 Ca 0.07 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 3g72 s VAL 127 Cb -0.02 -1.01 0.09 0.00 0.56 0.00 0.00 36.38 36.00 3g72 s VAL 127 CO 0.05 -0.02 0.08 -0.69 -0.31 0.00 0.00 175.10 174.21 3g72 s VAL 128 N -0.89 2.78 -0.01 1.32 1.01 0.49 -1.18 120.40 123.92 3g72 s VAL 128 Ca 0.01 -1.95 -0.30 0.00 0.00 0.00 0.00 61.98 59.74 3g72 s VAL 128 Cb -0.08 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 3g72 s VAL 128 CO 0.01 -0.46 1.42 -0.83 0.00 0.00 0.00 175.10 175.24 3g72 s GLY 129 N 1.33 1.80 0.00 4.51 0.00 0.06 -1.13 107.32 113.89 3g72 s GLY 129 Ca 0.04 0.87 0.19 0.00 0.00 0.00 0.00 44.72 45.82 3g72 s GLY 129 CO -0.05 2.57 1.44 1.03 0.00 0.00 0.00 173.10 178.10 3g72 n MET 130 N 5.62 2.71 -0.67 2.90 2.81 0.13 -4.43 117.12 126.20 3g72 n MET 130 Ca 0.14 -2.46 -0.05 0.00 -1.81 0.00 0.00 57.70 53.52 3g72 n MET 130 Cb 0.44 -1.48 0.03 0.00 -0.71 0.00 0.00 33.22 31.49 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 1.33 -0.18 3.94 3.03 0.00 0.73 -4.79 105.19 109.26 3g72 n GLY 131 Ca 0.21 -1.83 -0.24 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.92 3.26 0.50 1.61 0.40 -1.26 -4.75 117.98 116.82 3g72 s PHE 132 Ca 0.13 0.39 0.22 0.00 -0.60 0.00 0.00 56.93 57.07 3g72 s PHE 132 Cb -0.01 -2.42 1.43 0.00 0.51 0.00 0.00 43.02 42.53 3g72 s PHE 132 CO 0.09 -0.47 2.13 0.97 0.70 0.00 0.00 175.22 178.64 3g72 h ILE 133 N 0.24 0.79 -0.64 0.64 2.10 -1.89 -1.79 117.51 116.95 3g72 h ILE 133 Ca -0.46 -0.26 0.19 0.00 1.08 0.00 0.00 64.86 65.40 3g72 h ILE 133 Cb 1.25 1.15 -0.03 0.00 -1.09 0.00 0.00 36.82 38.11 3g72 h ILE 133 CO 0.59 0.07 0.46 -0.33 -1.08 0.00 0.00 178.15 177.86 3g72 h GLU 134 N 0.00 0.00 -0.16 2.19 3.07 -1.94 -1.49 114.58 116.24 3g72 h GLU 134 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3g72 h GLU 134 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3g72 h GLU 134 CO 0.01 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.66 3g72 n GLN 135 N -4.33 1.73 -2.38 2.33 1.13 -0.68 -4.99 117.38 110.18 3g72 n GLN 135 Ca 0.12 -1.54 -0.42 0.00 -1.94 0.00 0.00 57.00 53.22 3g72 n GLN 135 Cb 0.72 -1.20 -0.03 0.00 0.11 0.00 0.00 30.24 29.84 3g72 n GLN 135 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3g72 s ALA 136 N -0.89 3.44 0.25 -1.58 0.00 -0.56 -4.57 121.76 117.85 3g72 s ALA 136 Ca 0.15 0.86 -0.31 0.00 0.00 0.00 0.00 51.96 52.66 3g72 s ALA 136 Cb 0.09 -3.47 -0.12 0.00 0.00 0.00 0.00 23.12 19.62 3g72 s ALA 136 CO 0.12 -0.52 1.68 0.42 0.00 0.00 0.00 175.76 177.46 3g72 s ILE 137 N 1.28 2.01 0.00 0.00 1.01 -1.26 -1.43 121.20 122.81 3g72 s ILE 137 Ca 0.59 0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.25 3g72 s ILE 137 Cb -0.30 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.17 3g72 s ILE 137 CO 0.28 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.83 3g72 n GLY 138 N 3.22 0.25 3.15 6.18 0.00 -1.26 -2.99 105.19 113.74 3g72 n GLY 138 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 3g72 n GLY 138 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3g72 n ARG 139 N -0.99 -3.22 -2.08 1.61 0.63 -0.51 -4.91 116.66 107.18 3g72 n ARG 139 Ca 0.00 0.50 -0.42 0.00 -0.92 0.00 0.00 57.85 57.02 3g72 n ARG 139 Cb 0.25 -5.19 -0.03 0.00 0.45 0.00 0.00 32.46 27.94 3g72 n ARG 139 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3g72 s VAL 140 N -2.86 2.95 0.00 5.15 1.01 -1.16 -4.92 120.40 120.58 3g72 s VAL 140 Ca 0.31 0.73 -0.30 0.00 0.00 0.00 0.00 61.98 62.72 3g72 s VAL 140 Cb -0.16 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 3g72 s VAL 140 CO 0.38 0.09 2.01 0.41 0.00 0.00 0.00 175.10 177.98 3g72 n THR 141 N 3.18 0.71 -1.04 3.92 -1.04 -1.26 -4.79 114.28 113.97 3g72 n THR 141 Ca 0.09 -0.18 -0.31 0.00 -2.04 0.00 0.00 64.05 61.62 3g72 n THR 141 Cb 0.41 -2.34 0.14 0.00 -1.82 0.00 0.00 70.33 66.72 3g72 n THR 141 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3g72 s PRO 142 N 4.71 1.44 0.08 -2.82 0.02 -1.26 -4.70 135.00 132.47 3g72 s PRO 142 Ca 0.91 1.17 -0.20 0.00 0.02 0.00 0.00 61.00 62.90 3g72 s PRO 142 Cb -0.43 -1.80 -0.09 0.00 0.02 0.00 0.00 34.50 32.19 3g72 s PRO 142 CO 0.42 -2.21 1.58 0.97 -0.33 0.00 0.00 177.00 177.42 3g72 h ILE 143 N -1.55 1.20 0.00 2.83 2.10 -1.83 -1.56 117.51 118.70 3g72 h ILE 143 Ca -0.46 -0.65 -0.04 0.00 1.08 0.00 0.00 64.86 64.79 3g72 h ILE 143 Cb 1.26 1.26 -0.01 0.00 -1.09 0.00 0.00 36.82 38.24 3g72 h ILE 143 CO 0.49 0.20 -0.21 0.15 -1.08 0.00 0.00 178.15 177.71 3g72 h PHE 144 N 0.14 0.00 0.10 2.19 3.57 -1.91 0.05 116.94 121.08 3g72 h PHE 144 Ca 0.06 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3g72 h PHE 144 Cb 0.26 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.00 3g72 h PHE 144 CO 0.01 0.21 -0.05 -0.44 -2.23 0.00 0.00 178.31 175.81 3g72 h ASP 145 N 0.00 -0.11 -0.69 0.41 5.19 -1.72 -0.62 116.42 118.88 3g72 h ASP 145 Ca -0.00 -0.04 0.08 0.00 -0.62 0.00 0.00 57.03 56.45 3g72 h ASP 145 Cb 0.41 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 39.91 3g72 h ASP 145 CO 0.03 -0.04 0.46 0.78 -3.12 0.00 0.00 179.24 177.34 3g72 h ASN 146 N -0.18 0.56 -0.03 6.45 2.35 -0.37 0.02 115.58 124.38 3g72 h ASN 146 Ca -0.01 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3g72 h ASN 146 Cb 0.14 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3g72 h ASN 146 CO 0.02 0.35 -0.08 0.40 -1.65 0.00 0.00 177.43 176.47 3g72 h ILE 147 N 0.63 1.47 -0.63 2.81 2.04 -0.83 -3.04 117.51 119.96 3g72 h ILE 147 Ca 0.31 -1.51 0.13 0.00 1.00 0.00 0.00 64.86 64.79 3g72 h ILE 147 Cb 0.39 2.41 -0.11 0.00 -0.74 0.00 0.00 36.82 38.77 3g72 h ILE 147 CO -0.10 0.41 -0.01 0.40 0.00 0.00 0.00 178.15 178.85 3g72 h ILE 148 N -0.47 0.47 -0.02 -0.67 2.04 -0.75 -0.78 117.51 117.33 3g72 h ILE 148 Ca -0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3g72 h ILE 148 Cb 0.71 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3g72 h ILE 148 CO 0.02 0.02 0.11 0.28 0.00 0.00 0.00 178.15 178.57 3g72 h SER 149 N 0.11 0.00 1.09 1.72 0.02 -0.89 -1.48 113.55 114.12 3g72 h SER 149 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3g72 h SER 149 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 3g72 h SER 149 CO -0.55 0.00 -0.07 0.00 -1.14 0.00 0.00 176.83 175.07 3g72 n GLN 150 N -3.13 0.09 -2.06 3.45 6.02 -0.30 -4.93 117.38 116.52 3g72 n GLN 150 Ca -0.02 0.07 -0.20 0.00 -0.01 0.00 0.00 57.00 56.83 3g72 n GLN 150 Cb 0.18 -1.60 -0.04 0.00 1.02 0.00 0.00 30.24 29.79 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 1.44 0.54 0.09 1.08 0.00 -0.56 -4.91 105.19 102.87 3g72 n GLY 151 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.28 1.07 -2.41 1.61 0.24 -1.26 -2.78 118.33 111.52 3g72 n VAL 152 Ca -0.23 -0.67 -0.40 0.00 -2.04 0.00 0.00 64.34 61.00 3g72 n VAL 152 Cb 0.68 -0.65 -0.04 0.00 -1.47 0.00 0.00 33.84 32.36 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 -5.66 4.53 0.22 1.34 1.43 -1.26 -0.27 118.68 119.01 3g72 s LEU 153 Ca -0.03 2.34 -0.08 0.00 -1.03 0.00 0.00 54.13 55.33 3g72 s LEU 153 Cb 0.09 -3.63 0.27 0.00 0.03 0.00 0.00 46.19 42.95 3g72 s LEU 153 CO 0.81 -0.22 1.81 0.50 0.23 0.00 0.00 176.35 179.49 3g72 h LYS 154 N 3.78 0.69 -3.54 1.70 3.64 0.26 -1.99 116.57 121.12 3g72 h LYS 154 Ca -0.47 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 58.71 3g72 h LYS 154 Cb 1.21 -0.16 -0.22 0.00 -0.41 0.00 0.00 32.23 32.66 3g72 h LYS 154 CO 0.67 0.46 -0.52 -1.21 -2.27 0.00 0.00 179.45 176.57 3g72 s GLU 155 N -6.08 0.41 -1.44 1.90 2.02 -0.80 -4.62 118.70 110.09 3g72 s GLU 155 Ca -0.13 -0.31 -0.09 0.00 0.02 0.00 0.00 54.97 54.47 3g72 s GLU 155 Cb 0.17 0.17 0.05 0.00 0.10 0.00 0.00 34.13 34.61 3g72 s GLU 155 CO 0.76 -0.09 2.49 -0.25 0.02 0.00 0.00 175.26 178.19 3g72 n ASP 156 N 1.75 7.37 -4.18 -0.19 8.00 -1.26 -4.01 116.55 124.03 3g72 n ASP 156 Ca -0.21 -2.91 -0.11 0.00 0.71 0.00 0.00 54.79 52.27 3g72 n ASP 156 Cb 0.56 -1.48 -0.10 0.00 -0.02 0.00 0.00 41.12 40.08 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 0.72 0.38 0.02 2.53 -7.23 -1.26 -0.59 120.40 114.97 3g72 s VAL 157 Ca 0.56 -1.93 -0.08 0.00 -1.81 0.00 0.00 61.98 58.73 3g72 s VAL 157 Cb 0.16 -1.99 -0.00 0.00 0.56 0.00 0.00 36.38 35.11 3g72 s VAL 157 CO -0.07 -0.56 0.15 0.72 -0.31 0.00 0.00 175.10 175.03 3g72 s PHE 158 N -3.85 0.08 0.07 2.82 -0.12 -0.54 -0.30 117.98 116.14 3g72 s PHE 158 Ca 0.21 -0.26 0.04 0.00 -0.05 0.00 0.00 56.93 56.88 3g72 s PHE 158 Cb 0.07 -0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.37 3g72 s PHE 158 CO 0.01 -0.35 -0.12 -1.12 -0.05 0.00 0.00 175.22 173.58 3g72 s SER 159 N -1.77 1.48 -0.07 1.98 0.01 0.11 -0.86 113.70 114.57 3g72 s SER 159 Ca -0.10 -0.61 0.05 0.00 1.31 0.00 0.00 55.95 56.61 3g72 s SER 159 Cb -0.04 -0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.16 3g72 s SER 159 CO -0.01 -0.12 -0.25 -0.36 0.41 0.00 0.00 173.24 172.91 3g72 s PHE 160 N -1.37 2.48 -0.18 2.43 0.40 0.14 -1.43 117.98 120.46 3g72 s PHE 160 Ca -0.03 -0.82 0.01 0.00 -0.60 0.00 0.00 56.93 55.49 3g72 s PHE 160 Cb -0.10 -1.63 0.02 0.00 0.51 0.00 0.00 43.02 41.82 3g72 s PHE 160 CO 0.02 -0.28 -0.19 -0.47 0.70 0.00 0.00 175.22 175.00 3g72 s TYR 161 N -0.02 2.78 -0.25 0.36 5.04 0.03 -2.14 117.35 123.15 3g72 s TYR 161 Ca -0.08 -1.57 -0.02 0.00 -2.44 0.00 0.00 57.07 52.96 3g72 s TYR 161 Cb -0.15 -1.92 0.02 0.00 0.35 0.00 0.00 41.96 40.26 3g72 s TYR 161 CO 0.05 -0.77 -0.05 0.71 -1.34 0.00 0.00 175.55 174.16 3g72 s TYR 162 N 1.24 3.06 0.73 4.97 2.02 -1.26 0.18 117.35 128.29 3g72 s TYR 162 Ca 0.04 -1.45 -0.11 0.00 -0.37 0.00 0.00 57.07 55.18 3g72 s TYR 162 Cb -0.13 -2.08 0.03 0.00 -0.40 0.00 0.00 41.96 39.38 3g72 s TYR 162 CO -0.11 -0.70 1.07 1.21 -1.57 0.00 0.00 175.55 175.45 3g72 s ASN 163 N 1.35 5.06 0.70 2.29 3.84 -0.41 -4.11 114.94 123.65 3g72 s ASN 163 Ca 0.01 1.59 -0.11 0.00 0.21 0.00 0.00 52.86 54.56 3g72 s ASN 163 Cb -0.16 -2.41 0.01 0.00 -0.55 0.00 0.00 41.25 38.14 3g72 s ASN 163 CO -0.04 -1.65 1.06 -0.13 -2.79 0.00 0.00 177.10 173.56 3g72 s ARG 164 N -5.04 2.91 -0.36 0.43 0.52 -1.26 -4.93 118.95 111.22 3g72 s ARG 164 Ca 0.59 0.84 -0.10 0.00 -0.52 0.00 0.00 55.73 56.54 3g72 s ARG 164 Cb -0.15 -2.00 0.03 0.00 0.52 0.00 0.00 34.95 33.35 3g72 s ARG 164 CO 0.55 -1.09 0.18 0.34 0.02 0.00 0.00 175.30 175.30 3g72 s ASP 165 N -3.91 5.63 0.00 0.23 2.15 -1.26 -4.99 116.67 114.53 3g72 s ASP 165 Ca 0.58 -0.96 0.00 0.00 0.43 0.00 0.00 52.55 52.60 3g72 s ASP 165 Cb -0.13 -1.99 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 3g72 s ASP 165 CO 0.55 -0.35 0.00 -1.54 -0.17 0.00 0.00 175.17 173.65 3g72 n SER 166 N 4.96 0.00 0.00 -0.34 3.41 -1.26 -5.01 113.62 115.38 3g72 n SER 166 Ca -0.12 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.83 3g72 n SER 166 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3g72 n SER 166 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3g72 n SER 171 N -1.44 0.00 -4.66 4.04 2.88 -1.26 -5.14 113.62 108.05 3g72 n SER 171 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 3g72 n SER 171 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 3g72 n SER 171 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3g72 s LEU 172 N 0.00 4.21 0.46 2.46 2.96 -1.26 -4.91 118.68 122.61 3g72 s LEU 172 Ca 0.00 1.81 0.21 0.00 -0.22 0.00 0.00 54.13 55.93 3g72 s LEU 172 Cb 0.00 -3.54 1.13 0.00 0.50 0.00 0.00 46.19 44.29 3g72 s LEU 172 CO 0.00 -0.79 1.97 1.23 -1.32 0.00 0.00 176.35 177.44 3g72 h GLY 173 N 9.79 0.00 0.00 7.98 0.00 -1.89 -3.41 103.07 115.54 3g72 h GLY 173 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3g72 h GLY 173 CO 0.96 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.11 3g72 n GLY 174 N -0.61 -0.15 3.52 4.60 0.00 -1.00 -1.29 105.19 110.27 3g72 n GLY 174 Ca -0.02 -1.20 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.00 0.66 -0.08 1.61 0.74 0.13 -0.66 119.66 120.06 3g72 s GLN 175 Ca 0.00 0.97 -0.01 0.00 0.05 0.00 0.00 55.36 56.36 3g72 s GLN 175 Cb 0.00 0.22 -0.03 0.00 1.10 0.00 0.00 33.01 34.30 3g72 s GLN 175 CO 0.00 -0.12 -0.01 -1.50 -0.55 0.00 0.00 175.29 173.11 3g72 s ILE 176 N 0.93 4.18 -0.13 -2.34 2.07 -0.06 -0.79 121.20 125.06 3g72 s ILE 176 Ca -0.05 -0.30 0.02 0.00 -1.41 0.00 0.00 60.65 58.91 3g72 s ILE 176 Cb -0.05 -2.75 0.00 0.00 0.13 0.00 0.00 42.46 39.79 3g72 s ILE 176 CO -0.08 0.60 -0.21 -0.69 -1.91 0.00 0.00 174.94 172.65 3g72 s VAL 177 N -0.87 2.26 -0.23 4.00 1.01 -0.51 0.16 120.40 126.21 3g72 s VAL 177 Ca 0.13 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 3g72 s VAL 177 Cb -0.11 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 3g72 s VAL 177 CO 0.02 0.54 0.23 -0.76 0.00 0.00 0.00 175.10 175.14 3g72 s LEU 178 N 0.63 4.12 0.00 3.92 1.43 0.24 0.03 118.68 129.05 3g72 s LEU 178 Ca -0.11 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 3g72 s LEU 178 Cb -0.16 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.84 3g72 s LEU 178 CO 0.02 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.23 3g72 n GLY 179 N 4.24 0.45 0.00 -3.19 0.00 0.59 -0.45 105.19 106.84 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 -0.60 3.69 -0.02 0.00 -1.23 -1.90 105.19 103.13 3g72 n GLY 180 Ca 0.00 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 3g72 n GLY 180 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g72 s SER 181 N -4.00 3.86 -0.32 1.61 1.04 -1.26 -3.53 113.70 111.09 3g72 s SER 181 Ca 0.00 -1.58 0.03 0.00 0.48 0.00 0.00 55.95 54.88 3g72 s SER 181 Cb 0.00 0.28 0.09 0.00 0.10 0.00 0.00 66.02 66.49 3g72 s SER 181 CO 0.00 -0.76 0.03 -0.62 0.98 0.00 0.00 173.24 172.88 3g72 s ASP 182 N -3.79 4.57 0.63 7.02 -1.08 -1.26 -5.00 116.67 117.76 3g72 s ASP 182 Ca 0.16 -1.94 0.29 0.00 -0.52 0.00 0.00 52.55 50.53 3g72 s ASP 182 Cb 0.04 -1.48 1.52 0.00 -1.46 0.00 0.00 42.92 41.54 3g72 s ASP 182 CO 0.08 -0.36 1.89 -0.65 0.52 0.00 0.00 175.17 176.66 3g72 h PRO 183 N 7.72 0.00 0.00 4.34 0.11 -2.00 -1.13 132.00 141.04 3g72 h PRO 183 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3g72 h PRO 183 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3g72 h PRO 183 CO 0.50 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.29 3g72 n GLN 184 N -3.27 0.19 0.00 1.05 10.64 -1.26 -3.15 117.38 121.58 3g72 n GLN 184 Ca 0.03 0.15 0.00 0.00 -1.83 0.00 0.00 57.00 55.35 3g72 n GLN 184 Cb 0.52 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.40 3g72 n GLN 184 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3g72 n HIS 185 N -1.32 0.00 -4.30 2.61 8.25 -0.43 -4.80 115.22 115.23 3g72 n HIS 185 Ca 0.07 -0.13 -0.16 0.00 -0.26 0.00 0.00 57.72 57.24 3g72 n HIS 185 Cb 0.14 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.26 1.48 0.10 4.41 1.13 -1.19 -0.63 117.35 122.39 3g72 s TYR 186 Ca 0.00 -1.23 0.04 0.00 -1.41 0.00 0.00 57.07 54.47 3g72 s TYR 186 Cb 0.00 -0.84 -0.04 0.00 -1.10 0.00 0.00 41.96 39.98 3g72 s TYR 186 CO 0.00 -0.40 -0.10 -1.83 -2.51 0.00 0.00 175.55 170.70 3g72 s GLU 187 N -4.04 0.86 3.55 -3.49 -1.05 0.68 -4.72 118.70 110.50 3g72 s GLU 187 Ca 0.38 -1.16 0.00 0.00 -0.15 0.00 0.00 54.97 54.04 3g72 s GLU 187 Cb 0.07 -0.57 0.00 0.00 -0.44 0.00 0.00 34.13 33.19 3g72 s GLU 187 CO 0.14 0.09 0.00 0.41 0.95 0.00 0.00 175.26 176.85 3g72 n GLY 188 N 0.57 0.37 3.49 -3.83 0.00 -1.26 -3.71 105.19 100.83 3g72 n GLY 188 Ca -0.16 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 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 3.28 0.57 1.61 0.01 -1.26 -5.01 114.94 110.14 3g72 s ASN 189 Ca 0.00 -1.21 -0.17 0.00 -0.71 0.00 0.00 52.86 50.78 3g72 s ASN 189 Cb 0.00 -0.26 -0.04 0.00 0.41 0.00 0.00 41.25 41.35 3g72 s ASN 189 CO 0.00 -0.29 1.06 -0.36 -1.51 0.00 0.00 177.10 176.00 3g72 s PHE 190 N -2.81 2.97 -0.03 2.20 0.08 -1.26 -4.64 117.98 114.50 3g72 s PHE 190 Ca 0.31 1.52 0.07 0.00 0.12 0.00 0.00 56.93 58.96 3g72 s PHE 190 Cb 0.04 -3.03 -0.02 0.00 -0.57 0.00 0.00 43.02 39.43 3g72 s PHE 190 CO 0.15 -1.09 -0.23 -1.01 -0.10 0.00 0.00 175.22 172.94 3g72 s HIS 191 N -2.34 2.44 0.18 0.36 3.76 -0.55 -4.93 115.29 114.21 3g72 s HIS 191 Ca 0.65 -0.36 0.08 0.00 -0.15 0.00 0.00 55.06 55.27 3g72 s HIS 191 Cb -0.16 -1.54 -0.04 0.00 1.11 0.00 0.00 32.58 31.94 3g72 s HIS 191 CO 0.34 0.02 -0.03 0.71 -0.85 0.00 0.00 174.74 174.93 3g72 s TYR 192 N -0.63 2.76 -0.03 1.40 2.02 -1.26 -0.89 117.35 120.72 3g72 s TYR 192 Ca 0.10 -0.17 0.01 0.00 -0.37 0.00 0.00 57.07 56.64 3g72 s TYR 192 Cb -0.10 -1.33 0.02 0.00 -0.40 0.00 0.00 41.96 40.15 3g72 s TYR 192 CO -0.00 0.52 -0.01 0.42 -1.57 0.00 0.00 175.55 174.91 3g72 s ILE 193 N -1.77 0.23 0.46 2.71 1.09 0.17 -4.72 121.20 119.37 3g72 s ILE 193 Ca 0.27 0.03 -0.22 0.00 -1.10 0.00 0.00 60.65 59.62 3g72 s ILE 193 Cb -0.09 -0.30 -0.08 0.00 -1.06 0.00 0.00 42.46 40.94 3g72 s ILE 193 CO 0.18 0.14 1.12 0.20 -0.10 0.00 0.00 174.94 176.48 3g72 s ASN 194 N 0.84 6.24 0.53 3.58 0.02 -1.26 -0.94 114.94 123.95 3g72 s ASN 194 Ca -0.09 2.19 -0.21 0.00 -1.02 0.00 0.00 52.86 53.74 3g72 s ASN 194 Cb -0.12 -2.59 -0.06 0.00 0.02 0.00 0.00 41.25 38.50 3g72 s ASN 194 CO -0.01 -0.86 1.21 -0.76 0.02 0.00 0.00 177.10 176.70 3g72 s LEU 195 N -3.11 3.85 0.15 0.60 1.43 -0.52 -4.54 118.68 116.54 3g72 s LEU 195 Ca 0.64 2.41 -0.14 0.00 -1.03 0.00 0.00 54.13 56.01 3g72 s LEU 195 Cb -0.25 -4.39 0.02 0.00 0.03 0.00 0.00 46.19 41.60 3g72 s LEU 195 CO 0.31 -1.28 1.67 0.40 0.23 0.00 0.00 176.35 177.68 3g72 h ILE 196 N 1.42 1.22 -3.25 -0.59 2.04 -1.65 -3.45 117.51 113.26 3g72 h ILE 196 Ca -0.50 -0.73 -0.08 0.00 1.00 0.00 0.00 64.86 64.55 3g72 h ILE 196 Cb 1.27 0.81 -0.16 0.00 -0.74 0.00 0.00 36.82 38.00 3g72 h ILE 196 CO 0.58 0.27 -0.20 -1.59 0.00 0.00 0.00 178.15 177.21 3g72 s LYS 197 N -5.44 0.87 0.53 2.37 -2.85 -1.26 -5.12 119.74 108.84 3g72 s LYS 197 Ca -0.13 -0.50 -0.22 0.00 -1.00 0.00 0.00 55.97 54.12 3g72 s LYS 197 Cb 0.11 0.38 -0.05 0.00 -2.06 0.00 0.00 37.83 36.21 3g72 s LYS 197 CO 0.78 -0.29 1.28 -0.08 0.10 0.00 0.00 175.35 177.13 3g72 s THR 198 N -2.69 2.47 0.00 3.79 -1.32 -1.26 -3.81 115.64 112.81 3g72 s THR 198 Ca -0.04 0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.78 3g72 s THR 198 Cb -0.00 -3.17 0.00 0.00 -1.51 0.00 0.00 72.50 67.82 3g72 s THR 198 CO -0.04 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 3g72 n GLY 199 N 0.62 2.08 3.41 6.08 0.00 -1.26 -5.05 105.19 111.07 3g72 n GLY 199 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.13 -0.00 -1.48 1.61 0.11 -1.25 -4.23 120.40 113.02 3g72 s VAL 200 Ca 0.00 0.02 -0.12 0.00 -2.93 0.00 0.00 61.98 58.95 3g72 s VAL 200 Cb 0.00 -0.73 0.02 0.00 -1.53 0.00 0.00 36.38 34.14 3g72 s VAL 200 CO 0.00 0.01 2.42 0.79 -3.33 0.00 0.00 175.10 174.99 3g72 n TRP 201 N 3.18 3.09 -4.54 1.54 7.02 -1.26 -4.74 117.44 121.73 3g72 n TRP 201 Ca -0.16 -2.99 -0.23 0.00 -1.02 0.00 0.00 57.50 53.10 3g72 n TRP 201 Cb 0.56 -2.44 -0.16 0.00 -2.42 0.00 0.00 31.31 26.86 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 2.35 1.47 0.37 -0.99 0.74 -1.26 -0.69 119.66 121.64 3g72 s GLN 202 Ca 0.53 -0.38 0.07 0.00 0.05 0.00 0.00 55.36 55.63 3g72 s GLN 202 Cb 0.15 -1.26 -0.07 0.00 1.10 0.00 0.00 33.01 32.93 3g72 s GLN 202 CO -0.07 0.06 -0.02 0.96 -0.55 0.00 0.00 175.29 175.67 3g72 s ILE 203 N 0.51 1.90 0.20 -2.34 -4.36 0.11 -1.73 121.20 115.50 3g72 s ILE 203 Ca -0.11 -2.07 -0.29 0.00 -0.26 0.00 0.00 60.65 57.93 3g72 s ILE 203 Cb -0.14 -2.82 -0.08 0.00 1.25 0.00 0.00 42.46 40.67 3g72 s ILE 203 CO 0.03 -0.08 0.90 -1.58 0.24 0.00 0.00 174.94 174.44 3g72 s GLN 204 N -3.71 4.77 -0.04 0.37 2.00 -1.26 -0.94 119.66 120.84 3g72 s GLN 204 Ca 0.34 1.40 0.07 0.00 -2.00 0.00 0.00 55.36 55.16 3g72 s GLN 204 Cb 0.07 -3.29 -0.01 0.00 0.80 0.00 0.00 33.01 30.58 3g72 s GLN 204 CO 0.17 0.49 -0.24 1.41 -0.50 0.00 0.00 175.29 176.61 3g72 s MET 205 N -1.01 2.22 0.01 1.67 -2.45 -0.08 -4.46 119.30 115.21 3g72 s MET 205 Ca 0.40 -0.87 0.22 0.00 -1.25 0.00 0.00 55.69 54.20 3g72 s MET 205 Cb -0.25 -2.00 -0.08 0.00 1.25 0.00 0.00 34.83 33.76 3g72 s MET 205 CO 0.30 0.44 0.94 1.63 1.05 0.00 0.00 175.02 179.38 3g72 n LYS 206 N 2.74 0.17 0.00 4.11 5.02 -0.46 -0.92 118.16 128.82 3g72 n LYS 206 Ca -0.17 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 3g72 n LYS 206 Cb 0.52 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 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 1.43 2.20 2.99 0.72 0.00 -1.24 -4.04 105.19 107.25 3g72 n GLY 207 Ca 0.02 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 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 1.44 -0.08 1.61 1.01 -0.49 -1.02 120.40 120.87 3g72 s VAL 208 Ca 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 3g72 s VAL 208 Cb 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 3g72 s VAL 208 CO 0.00 0.39 0.04 -0.44 0.00 0.00 0.00 175.10 175.09 3g72 s SER 209 N 1.53 5.52 -0.17 3.32 0.01 0.04 -1.08 113.70 122.87 3g72 s SER 209 Ca 0.04 0.20 -0.05 0.00 1.31 0.00 0.00 55.95 57.46 3g72 s SER 209 Cb -0.13 -1.60 -0.03 0.00 0.21 0.00 0.00 66.02 64.46 3g72 s SER 209 CO -0.10 0.37 -0.01 -0.69 0.41 0.00 0.00 173.24 173.22 3g72 s VAL 210 N -0.96 4.13 0.00 3.43 1.01 -0.10 -0.57 120.40 127.34 3g72 s VAL 210 Ca 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.86 3g72 s VAL 210 Cb -0.12 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.43 3g72 s VAL 210 CO 0.05 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3g72 n GLY 211 N 3.65 0.95 1.39 4.51 0.00 0.80 -2.49 105.19 113.99 3g72 n GLY 211 Ca -0.17 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.13 3g72 n GLY 211 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g72 n SER 212 N -3.28 3.23 -4.27 1.61 3.41 -1.26 -4.72 113.62 108.33 3g72 n SER 212 Ca 0.00 -2.59 -0.29 0.00 -0.26 0.00 0.00 58.87 55.72 3g72 n SER 212 Cb 0.00 -0.62 -0.16 0.00 -0.26 0.00 0.00 64.21 63.17 3g72 n SER 212 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3g72 s SER 213 N -0.09 2.80 -1.00 4.04 1.04 -1.04 -5.09 113.70 114.36 3g72 s SER 213 Ca 0.24 -0.43 -0.17 0.00 0.48 0.00 0.00 55.95 56.06 3g72 s SER 213 Cb 0.20 -0.34 0.14 0.00 0.10 0.00 0.00 66.02 66.12 3g72 s SER 213 CO 0.05 0.29 1.20 -0.89 0.98 0.00 0.00 173.24 174.87 3g72 s THR 214 N -0.53 4.84 0.20 2.02 2.01 -1.26 -0.93 115.64 121.99 3g72 s THR 214 Ca 0.08 -1.88 0.22 0.00 0.31 0.00 0.00 61.69 60.42 3g72 s THR 214 Cb -0.09 -4.80 0.20 0.00 0.01 0.00 0.00 72.50 67.81 3g72 s THR 214 CO -0.01 -1.52 1.83 -0.07 -0.69 0.00 0.00 174.62 174.16 3g72 h LEU 215 N 10.14 0.00 -8.33 4.42 -0.00 -1.83 -3.47 115.31 116.25 3g72 h LEU 215 Ca 0.20 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.87 3g72 h LEU 215 Cb 0.99 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 41.48 3g72 h LEU 215 CO 1.13 0.27 -0.70 -0.76 -0.00 0.00 0.00 178.44 178.38 3g72 s LEU 216 N -7.01 2.45 -1.65 1.67 1.43 -0.24 -4.85 118.68 110.47 3g72 s LEU 216 Ca -0.00 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 3g72 s LEU 216 Cb 0.11 -0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.31 3g72 s LEU 216 CO 0.65 -0.44 0.00 0.00 0.23 0.00 0.00 176.35 176.79 3g72 h GLU 218 N 0.00 0.00 -0.54 0.00 5.08 -1.89 0.90 114.58 118.13 3g72 h GLU 218 Ca -0.45 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.83 3g72 h GLU 218 Cb 1.33 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.53 3g72 h GLU 218 CO 0.54 0.07 0.09 -0.25 -1.00 0.00 0.00 179.01 178.45 3g72 n ASP 219 N -4.10 4.77 0.00 1.42 8.00 -1.26 -4.89 116.55 120.49 3g72 n ASP 219 Ca -0.03 -3.11 0.00 0.00 0.71 0.00 0.00 54.79 52.36 3g72 n ASP 219 Cb 0.15 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.58 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 -0.05 -1.87 3.34 0.44 0.00 0.31 -5.09 105.19 102.27 3g72 n GLY 220 Ca 0.31 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 4.35 -0.22 0.00 1.43 -1.26 -0.90 118.68 122.09 3g72 s LEU 222 Ca 0.16 0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 53.54 3g72 s LEU 222 Cb -0.04 -2.99 0.06 0.00 0.03 0.00 0.00 46.19 43.26 3g72 s LEU 222 CO 0.12 0.16 0.02 0.00 0.23 0.00 0.00 176.35 176.88 3g72 s ALA 223 N -1.53 1.28 -0.01 4.21 0.00 -0.12 -1.26 121.76 124.33 3g72 s ALA 223 Ca 0.35 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 51.07 3g72 s ALA 223 Cb -0.13 -1.29 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 3g72 s ALA 223 CO 0.28 -1.23 0.96 -1.17 0.00 0.00 0.00 175.76 174.60 3g72 s LEU 224 N 1.72 4.36 -0.46 0.00 2.96 0.24 0.07 118.68 127.57 3g72 s LEU 224 Ca -0.01 1.62 -0.16 0.00 -0.22 0.00 0.00 54.13 55.36 3g72 s LEU 224 Cb -0.18 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.03 3g72 s LEU 224 CO -0.09 -0.26 0.40 -0.69 -1.32 0.00 0.00 176.35 174.38 3g72 s VAL 225 N 1.08 5.19 -0.41 1.68 1.01 0.13 0.06 120.40 129.13 3g72 s VAL 225 Ca 0.51 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.67 3g72 s VAL 225 Cb -0.21 -4.09 0.12 0.00 0.00 0.00 0.00 36.38 32.20 3g72 s VAL 225 CO 0.27 -0.52 0.18 -0.62 0.00 0.00 0.00 175.10 174.40 3g72 s ASP 226 N 2.31 4.09 0.52 3.32 -1.08 -0.40 -4.44 116.67 120.99 3g72 s ASP 226 Ca 0.06 -2.40 0.33 0.00 -0.52 0.00 0.00 52.55 50.02 3g72 s ASP 226 Cb -0.22 -1.24 1.43 0.00 -1.46 0.00 0.00 42.92 41.43 3g72 s ASP 226 CO 0.09 -0.31 1.99 0.71 0.52 0.00 0.00 175.17 178.16 3g72 h THR 227 N 5.83 0.00 0.00 1.71 1.35 -1.82 -1.49 112.91 118.49 3g72 h THR 227 Ca -0.06 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3g72 h THR 227 Cb 0.96 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3g72 h THR 227 CO 0.53 0.00 -0.21 0.61 -0.25 0.00 0.00 175.52 176.20 3g72 n GLY 228 N -0.11 -1.53 3.73 5.82 0.00 -1.26 -4.69 105.19 107.15 3g72 n GLY 228 Ca 0.00 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.08 3.34 0.28 4.61 0.00 -0.56 -4.99 121.76 121.36 3g72 s ALA 229 Ca 0.11 0.20 -0.00 0.00 0.00 0.00 0.00 51.96 52.27 3g72 s ALA 229 Cb 0.15 -2.98 0.40 0.00 0.00 0.00 0.00 23.12 20.68 3g72 s ALA 229 CO 0.62 -0.04 1.79 0.77 0.00 0.00 0.00 175.76 178.90 3g72 h SER 230 N 6.35 0.69 -1.72 0.00 0.02 -1.87 0.09 113.55 117.12 3g72 h SER 230 Ca -0.42 -0.16 -0.63 0.00 -0.84 0.00 0.00 61.79 59.74 3g72 h SER 230 Cb 1.20 -0.18 -0.13 0.00 0.14 0.00 0.00 62.40 63.43 3g72 h SER 230 CO 0.74 0.76 -0.61 -0.31 -1.14 0.00 0.00 176.83 176.27 3g72 s TYR 231 N -4.98 2.50 0.02 3.45 2.02 -1.26 -2.36 117.35 116.73 3g72 s TYR 231 Ca -0.09 -0.66 -0.30 0.00 -0.37 0.00 0.00 57.07 55.65 3g72 s TYR 231 Cb 0.15 -1.73 -0.03 0.00 -0.40 0.00 0.00 41.96 39.94 3g72 s TYR 231 CO 0.80 0.45 0.99 0.42 -1.57 0.00 0.00 175.55 176.64 3g72 s ILE 232 N -2.71 4.78 0.12 2.71 1.01 -1.02 -2.13 121.20 123.96 3g72 s ILE 232 Ca 0.35 2.04 0.08 0.00 0.00 0.00 0.00 60.65 63.12 3g72 s ILE 232 Cb 0.09 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 3g72 s ILE 232 CO 0.18 0.18 -0.20 -0.94 0.00 0.00 0.00 174.94 174.15 3g72 s SER 233 N 0.88 2.59 0.21 3.58 1.04 0.28 -1.58 113.70 120.70 3g72 s SER 233 Ca 0.52 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.21 3g72 s SER 233 Cb -0.22 -0.14 -0.04 0.00 0.10 0.00 0.00 66.02 65.71 3g72 s SER 233 CO 0.28 0.04 0.10 -0.83 0.98 0.00 0.00 173.24 173.81 3g72 s GLY 234 N -2.10 1.50 0.91 7.32 0.00 -1.09 -0.09 107.32 113.77 3g72 s GLY 234 Ca 0.09 -1.74 -0.13 0.00 0.00 0.00 0.00 44.72 42.94 3g72 s GLY 234 CO 0.05 -1.48 0.54 -1.14 0.00 0.00 0.00 173.10 171.07 3g72 n SER 235 N -0.33 -1.54 -0.29 1.64 3.41 -1.25 -0.31 113.62 114.95 3g72 n SER 235 Ca 0.00 0.39 0.07 0.00 -0.26 0.00 0.00 58.87 59.08 3g72 n SER 235 Cb 0.66 -1.25 0.23 0.00 -0.26 0.00 0.00 64.21 63.58 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 -1.38 0.71 -0.45 6.66 2.02 -1.91 -1.81 112.91 116.74 3g72 h THR 236 Ca -0.44 -0.20 -0.14 0.00 0.77 0.00 0.00 66.41 66.39 3g72 h THR 236 Cb 1.29 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3g72 h THR 236 CO 0.37 0.11 -0.28 0.77 0.37 0.00 0.00 175.52 176.86 3g72 h SER 237 N 0.60 1.03 -0.07 4.18 4.64 -1.99 -0.11 113.55 121.82 3g72 h SER 237 Ca 0.47 -0.42 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 3g72 h SER 237 Cb 0.68 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3g72 h SER 237 CO -0.38 1.22 0.02 0.28 -0.87 0.00 0.00 176.83 177.11 3g72 h SER 238 N 0.83 0.11 -0.42 4.97 0.02 -1.82 -2.98 113.55 114.27 3g72 h SER 238 Ca 0.09 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.81 3g72 h SER 238 Cb 0.86 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 3g72 h SER 238 CO 0.08 0.27 0.13 0.40 -1.14 0.00 0.00 176.83 176.57 3g72 h ILE 239 N -0.06 1.20 -0.44 3.27 1.08 -1.31 -0.46 117.51 120.79 3g72 h ILE 239 Ca 0.02 -0.70 0.08 0.00 -0.39 0.00 0.00 64.86 63.87 3g72 h ILE 239 Cb 0.20 0.69 -0.07 0.00 -3.07 0.00 0.00 36.82 34.58 3g72 h ILE 239 CO -0.00 0.26 0.03 -0.33 -0.69 0.00 0.00 178.15 177.42 3g72 h GLU 240 N 0.70 0.14 -0.27 2.37 5.08 -0.92 0.10 114.58 121.77 3g72 h GLU 240 Ca 0.16 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.38 3g72 h GLU 240 Cb 0.23 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3g72 h GLU 240 CO -0.01 0.09 -0.33 -0.22 -1.00 0.00 0.00 179.01 177.55 3g72 h LYS 241 N 0.15 0.70 -0.96 2.33 3.64 -1.31 -0.82 116.57 120.29 3g72 h LYS 241 Ca 0.22 -0.39 0.02 0.00 -1.27 0.00 0.00 60.65 59.22 3g72 h LYS 241 Cb 0.30 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 3g72 h LYS 241 CO -0.33 1.01 0.63 1.25 -2.27 0.00 0.00 179.45 179.74 3g72 h LEU 242 N 0.43 1.08 -0.02 5.20 5.85 -0.80 -0.42 115.31 126.63 3g72 h LEU 242 Ca 0.04 -0.02 -0.22 0.00 0.84 0.00 0.00 57.88 58.51 3g72 h LEU 242 Cb 0.91 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3g72 h LEU 242 CO 0.08 0.77 -1.03 0.24 -0.34 0.00 0.00 178.44 178.16 3g72 h MET 243 N 1.27 0.07 -0.17 1.25 2.86 -0.80 -0.84 114.93 118.57 3g72 h MET 243 Ca 0.36 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3g72 h MET 243 Cb -0.10 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3g72 h MET 243 CO -0.09 1.03 0.10 1.49 1.06 0.00 0.00 176.91 180.49 3g72 h GLU 244 N 0.02 0.23 0.00 1.72 4.22 -1.05 0.29 114.58 120.01 3g72 h GLU 244 Ca -0.04 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.38 3g72 h GLU 244 Cb 1.77 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.97 3g72 h GLU 244 CO 0.14 0.21 -0.02 0.00 -2.18 0.00 0.00 179.01 177.16 3g72 h ALA 245 N 1.00 1.58 0.00 2.92 0.00 -0.51 -2.29 119.26 121.98 3g72 h ALA 245 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3g72 h ALA 245 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3g72 h ALA 245 CO -0.01 0.02 -1.53 1.28 0.00 0.00 0.00 179.25 179.01 3g72 n LEU 246 N -3.96 0.37 0.00 0.00 4.77 -0.37 -4.98 117.00 112.83 3g72 n LEU 246 Ca -0.03 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3g72 n LEU 246 Cb 0.10 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3g72 n LEU 246 CO 0.29 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 3g72 n GLY 247 N 1.27 0.63 3.89 -0.72 0.00 0.49 -4.95 105.19 105.79 3g72 n GLY 247 Ca -0.02 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.00 3.44 -0.02 4.61 0.00 0.73 -4.88 121.76 123.65 3g72 s ALA 248 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.61 3g72 s ALA 248 Cb 0.00 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.53 3g72 s ALA 248 CO 0.00 0.03 -0.00 0.15 0.00 0.00 0.00 175.76 175.93 3g72 s LYS 249 N -3.87 2.82 -0.19 0.00 3.01 0.19 -4.64 119.74 117.07 3g72 s LYS 249 Ca 0.48 -0.56 -0.26 0.00 -1.01 0.00 0.00 55.97 54.62 3g72 s LYS 249 Cb -0.10 -2.69 -0.01 0.00 -1.01 0.00 0.00 37.83 34.02 3g72 s LYS 249 CO 0.32 0.64 0.89 0.21 0.51 0.00 0.00 175.35 177.93 3g72 s LYS 250 N -1.37 4.29 0.61 1.68 2.20 -1.26 -0.51 119.74 125.38 3g72 s LYS 250 Ca 0.18 1.11 0.09 0.00 -0.36 0.00 0.00 55.97 56.99 3g72 s LYS 250 Cb -0.11 -3.59 0.10 0.00 -1.51 0.00 0.00 37.83 32.72 3g72 s LYS 250 CO 0.08 -0.41 0.85 1.03 -0.36 0.00 0.00 175.35 176.54 3g72 s ARG 251 N 2.44 2.15 0.34 4.03 0.52 0.33 -4.98 118.95 123.78 3g72 s ARG 251 Ca 0.40 -1.66 0.08 0.00 -0.52 0.00 0.00 55.73 54.02 3g72 s ARG 251 Cb -0.16 -2.60 0.60 0.00 0.52 0.00 0.00 34.95 33.31 3g72 s ARG 251 CO 0.11 -1.02 1.80 1.25 0.02 0.00 0.00 175.30 177.46 3g72 h LEU 252 N 0.03 0.25 -0.44 2.53 5.85 -2.02 -3.33 115.31 118.18 3g72 h LEU 252 Ca -0.29 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3g72 h LEU 252 Cb 1.29 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3g72 h LEU 252 CO 0.40 0.52 0.00 0.49 -0.34 0.00 0.00 178.44 179.51 3g72 n PHE 253 N -4.15 0.00 -3.62 1.25 3.72 -1.26 -5.09 117.46 108.31 3g72 n PHE 253 Ca -0.01 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.32 3g72 n PHE 253 Cb 0.37 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.92 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 -0.41 -1.39 -4.41 4.37 5.75 -1.25 -4.98 116.55 114.22 3g72 n ASP 254 Ca 0.00 -2.12 -0.27 0.00 -0.01 0.00 0.00 54.79 52.39 3g72 n ASP 254 Cb 0.02 2.37 -0.12 0.00 -1.03 0.00 0.00 41.12 42.36 3g72 n ASP 254 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3g72 s TYR 255 N -4.24 2.30 0.03 2.11 2.02 -1.26 -0.52 117.35 117.80 3g72 s TYR 255 Ca 0.13 -0.37 -0.03 0.00 -0.37 0.00 0.00 57.07 56.44 3g72 s TYR 255 Cb -0.03 -1.17 -0.02 0.00 -0.40 0.00 0.00 41.96 40.35 3g72 s TYR 255 CO 0.09 0.46 0.03 0.14 -1.57 0.00 0.00 175.55 174.70 3g72 s VAL 256 N -1.51 0.14 0.16 0.71 -7.23 0.34 -1.92 120.40 111.08 3g72 s VAL 256 Ca 0.19 -1.15 0.05 0.00 -1.81 0.00 0.00 61.98 59.26 3g72 s VAL 256 Cb -0.08 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 36.05 3g72 s VAL 256 CO 0.09 -0.63 -0.11 0.68 -0.31 0.00 0.00 175.10 174.81 3g72 s VAL 257 N -2.37 1.32 0.26 1.32 -7.23 -0.46 0.54 120.40 113.78 3g72 s VAL 257 Ca -0.07 -2.09 -0.30 0.00 -1.81 0.00 0.00 61.98 57.70 3g72 s VAL 257 Cb -0.03 -1.89 -0.11 0.00 0.56 0.00 0.00 36.38 34.91 3g72 s VAL 257 CO -0.04 -0.70 1.51 -0.54 -0.31 0.00 0.00 175.10 175.02 3g72 s LYS 258 N -3.69 4.21 0.53 4.82 1.02 -1.26 0.33 119.74 125.69 3g72 s LYS 258 Ca 0.18 2.41 0.19 0.00 0.02 0.00 0.00 55.97 58.77 3g72 s LYS 258 Cb 0.01 -3.08 1.36 0.00 -0.52 0.00 0.00 37.83 35.60 3g72 s LYS 258 CO 0.02 -0.52 2.15 0.00 -0.92 0.00 0.00 175.35 176.08 3g72 h ASN 260 N 0.00 0.00 0.02 0.00 -1.07 -1.53 -2.32 115.58 110.68 3g72 h ASN 260 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.39 3g72 h ASN 260 Cb 0.10 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.35 3g72 h ASN 260 CO -0.00 0.26 -0.08 -1.84 0.07 0.00 0.00 177.43 175.84 3g72 n GLU 261 N -3.41 1.70 0.05 4.14 0.28 -0.39 -4.37 120.64 118.63 3g72 n GLU 261 Ca 0.00 -1.20 -0.14 0.00 -0.16 0.00 0.00 57.16 55.66 3g72 n GLU 261 Cb 0.46 -1.48 -0.08 0.00 1.43 0.00 0.00 31.44 31.78 3g72 n GLU 261 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 3g72 h GLY 262 N 4.82 -0.90 2.00 -1.84 0.00 -1.34 -2.48 103.07 103.32 3g72 h GLY 262 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.90 3g72 h GLY 262 CO 0.00 -0.24 0.00 -1.05 0.00 0.00 0.00 176.54 175.25 3g72 n PRO 263 N -5.46 0.07 0.00 4.80 -0.02 -1.26 -1.61 135.00 131.53 3g72 n PRO 263 Ca -0.06 0.40 0.12 0.00 -2.02 0.00 0.00 63.50 61.94 3g72 n PRO 263 Cb 0.38 -1.67 0.13 0.00 -0.02 0.00 0.00 33.50 32.33 3g72 n PRO 263 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3g72 n THR 264 N -1.81 0.00 -2.13 3.45 -2.24 -0.96 -4.89 114.28 105.71 3g72 n THR 264 Ca 0.02 -0.43 -0.36 0.00 -2.27 0.00 0.00 64.05 61.00 3g72 n THR 264 Cb 0.13 1.35 0.01 0.00 -2.10 0.00 0.00 70.33 69.72 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 -2.08 3.82 0.67 3.22 1.43 -0.63 -4.99 118.68 120.12 3g72 s LEU 265 Ca 0.28 2.35 -0.16 0.00 -1.03 0.00 0.00 54.13 55.57 3g72 s LEU 265 Cb 0.20 -4.44 0.00 0.00 0.03 0.00 0.00 46.19 41.98 3g72 s LEU 265 CO 0.35 -1.27 1.14 -2.84 0.23 0.00 0.00 176.35 173.96 3g72 s PRO 266 N -3.06 2.67 0.27 1.29 0.02 -1.26 -4.28 135.00 130.64 3g72 s PRO 266 Ca 0.71 1.53 -0.30 0.00 0.02 0.00 0.00 61.00 62.96 3g72 s PRO 266 Cb -0.29 -1.92 -0.13 0.00 0.02 0.00 0.00 34.50 32.18 3g72 s PRO 266 CO 0.34 -1.38 1.40 -0.25 -0.33 0.00 0.00 177.00 176.78 3g72 n ASP 267 N -2.37 2.89 -4.40 2.53 9.92 -1.26 -4.23 116.55 119.63 3g72 n ASP 267 Ca 0.11 1.16 -0.33 0.00 -0.53 0.00 0.00 54.79 55.20 3g72 n ASP 267 Cb 0.51 -1.46 -0.14 0.00 -0.64 0.00 0.00 41.12 39.39 3g72 n ASP 267 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3g72 s ILE 268 N -0.31 3.33 -0.09 0.53 1.01 0.36 -0.14 121.20 125.88 3g72 s ILE 268 Ca 0.64 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.77 3g72 s ILE 268 Cb -0.61 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 3g72 s ILE 268 CO 0.53 0.50 -0.19 -0.44 0.00 0.00 0.00 174.94 175.34 3g72 s SER 269 N 0.48 3.53 -0.18 3.58 0.01 0.26 -0.24 113.70 121.14 3g72 s SER 269 Ca -0.07 -0.41 -0.05 0.00 1.31 0.00 0.00 55.95 56.73 3g72 s SER 269 Cb -0.15 -1.19 -0.03 0.00 0.21 0.00 0.00 66.02 64.86 3g72 s SER 269 CO 0.04 0.22 -0.01 -0.36 0.41 0.00 0.00 173.24 173.54 3g72 s PHE 270 N -0.00 3.04 -0.39 2.43 0.08 0.15 -0.78 117.98 122.51 3g72 s PHE 270 Ca -0.06 -0.40 -0.14 0.00 0.12 0.00 0.00 56.93 56.45 3g72 s PHE 270 Cb -0.15 -2.04 0.01 0.00 -0.57 0.00 0.00 43.02 40.28 3g72 s PHE 270 CO 0.05 -0.16 0.27 -1.58 -0.10 0.00 0.00 175.22 173.70 3g72 s HIS 271 N 0.76 3.24 -0.04 0.36 5.65 -0.19 0.61 115.29 125.68 3g72 s HIS 271 Ca -0.00 -0.59 -0.00 0.00 0.25 0.00 0.00 55.06 54.72 3g72 s HIS 271 Cb -0.14 -2.54 0.03 0.00 -1.18 0.00 0.00 32.58 28.74 3g72 s HIS 271 CO 0.02 -0.56 0.02 -0.51 -0.65 0.00 0.00 174.74 173.06 3g72 s LEU 272 N 1.67 0.83 0.00 8.88 1.43 -0.15 -1.35 118.68 129.99 3g72 s LEU 272 Ca 0.05 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 3g72 s LEU 272 Cb -0.19 -0.22 0.00 0.00 0.03 0.00 0.00 46.19 45.81 3g72 s LEU 272 CO 0.09 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.13 3g72 n GLY 273 N 4.56 3.22 2.05 -3.19 0.00 -1.26 -2.01 105.19 108.56 3g72 n GLY 273 Ca -0.18 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 4.04 3.13 -0.02 0.00 -1.26 -4.93 105.19 106.14 3g72 n GLY 274 Ca 0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.89 0.43 -0.18 1.61 2.20 -0.85 -5.11 119.74 114.94 3g72 s LYS 275 Ca 0.51 -0.11 -0.19 0.00 -0.36 0.00 0.00 55.97 55.82 3g72 s LYS 275 Cb 0.42 0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.90 3g72 s LYS 275 CO 0.10 -0.10 0.54 -1.21 -0.36 0.00 0.00 175.35 174.33 3g72 s GLU 276 N -0.82 4.22 -0.28 4.03 0.41 -1.26 -0.98 118.70 124.03 3g72 s GLU 276 Ca -0.09 0.48 -0.08 0.00 -0.41 0.00 0.00 54.97 54.86 3g72 s GLU 276 Cb -0.05 -3.54 -0.02 0.00 -1.78 0.00 0.00 34.13 28.74 3g72 s GLU 276 CO 0.02 -0.12 0.11 0.71 -0.49 0.00 0.00 175.26 175.48 3g72 s TYR 277 N 1.52 3.13 -0.16 1.61 2.02 0.20 -4.90 117.35 120.77 3g72 s TYR 277 Ca 0.26 -0.50 -0.02 0.00 -0.37 0.00 0.00 57.07 56.44 3g72 s TYR 277 Cb -0.16 -2.29 -0.01 0.00 -0.40 0.00 0.00 41.96 39.11 3g72 s TYR 277 CO 0.10 -0.40 -0.10 0.99 -1.57 0.00 0.00 175.55 174.57 3g72 s THR 278 N 1.61 3.21 -0.20 -0.71 2.01 -1.26 0.34 115.64 120.64 3g72 s THR 278 Ca 0.05 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 61.42 3g72 s THR 278 Cb -0.16 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.93 3g72 s THR 278 CO 0.05 0.49 0.01 -0.76 -0.69 0.00 0.00 174.62 173.72 3g72 s LEU 279 N 0.73 3.33 0.67 4.42 1.43 0.67 -4.98 118.68 124.96 3g72 s LEU 279 Ca -0.04 -0.16 -0.08 0.00 -1.03 0.00 0.00 54.13 52.82 3g72 s LEU 279 Cb -0.15 -1.84 0.03 0.00 0.03 0.00 0.00 46.19 44.26 3g72 s LEU 279 CO 0.02 0.09 1.00 0.42 0.23 0.00 0.00 176.35 178.10 3g72 s THR 280 N 0.88 3.01 0.42 5.49 -4.23 -1.26 -0.49 115.64 119.45 3g72 s THR 280 Ca 0.01 -0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.71 3g72 s THR 280 Cb -0.14 -3.26 0.40 0.00 1.34 0.00 0.00 72.50 70.83 3g72 s THR 280 CO 0.02 -0.30 1.81 0.77 -0.54 0.00 0.00 174.62 176.39 3g72 h SER 281 N -0.49 0.40 -0.04 3.99 4.64 -1.74 0.80 113.55 121.10 3g72 h SER 281 Ca -0.45 0.06 0.01 0.00 -0.47 0.00 0.00 61.79 60.94 3g72 h SER 281 Cb 1.28 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3g72 h SER 281 CO 0.62 0.12 0.05 0.00 -0.87 0.00 0.00 176.83 176.74 3g72 h ALA 282 N 1.60 1.63 0.00 5.18 0.00 -1.88 0.81 119.26 126.61 3g72 h ALA 282 Ca 0.53 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.37 3g72 h ALA 282 Cb 1.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3g72 h ALA 282 CO -0.22 -0.07 -0.60 -0.44 0.00 0.00 0.00 179.25 177.92 3g72 h ASP 283 N 0.00 0.00 0.00 0.00 3.32 0.27 -3.40 116.42 116.61 3g72 h ASP 283 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3g72 h ASP 283 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3g72 h ASP 283 CO -0.00 0.32 0.00 0.00 -1.72 0.00 0.00 179.24 177.84 3g72 n TYR 284 N -3.06 0.00 -4.15 4.55 0.18 -0.47 -4.94 117.16 109.27 3g72 n TYR 284 Ca 0.00 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.44 3g72 n TYR 284 Cb 0.68 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.53 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 -0.16 4.43 -0.84 -3.48 1.01 0.16 0.18 120.40 121.69 3g72 s VAL 285 Ca 0.00 -0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.57 3g72 s VAL 285 Cb 0.00 -2.98 0.04 0.00 0.00 0.00 0.00 36.38 33.44 3g72 s VAL 285 CO 0.00 0.47 1.32 -0.36 0.00 0.00 0.00 175.10 176.53 3g72 s PHE 286 N 0.39 2.41 -1.26 5.22 0.08 0.22 -4.84 117.98 120.20 3g72 s PHE 286 Ca 0.00 -0.38 -0.11 0.00 0.12 0.00 0.00 56.93 56.56 3g72 s PHE 286 Cb -0.13 -4.63 0.16 0.00 -0.57 0.00 0.00 43.02 37.85 3g72 s PHE 286 CO 0.01 -2.00 1.71 0.94 -0.10 0.00 0.00 175.22 175.79 3g72 n GLN 287 N 9.06 3.49 0.00 0.44 -0.06 -1.26 -3.86 117.38 125.19 3g72 n GLN 287 Ca 0.13 -3.62 0.12 0.00 -2.00 0.00 0.00 57.00 51.64 3g72 n GLN 287 Cb 0.50 -3.00 0.32 0.00 -4.06 0.00 0.00 30.24 24.00 3g72 n GLN 287 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 3g72 n GLU 288 N 4.73 0.01 -3.82 3.69 1.02 -1.26 -4.83 120.64 120.19 3g72 n GLU 288 Ca 0.39 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.45 3g72 n GLU 288 Cb 0.39 -1.51 -0.04 0.00 -0.02 0.00 0.00 31.44 30.26 3g72 n GLU 288 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3g72 s SER 289 N -3.06 -0.21 -0.02 1.62 0.15 -1.26 -5.03 113.70 105.89 3g72 s SER 289 Ca 0.11 -0.61 0.11 0.00 0.70 0.00 0.00 55.95 56.27 3g72 s SER 289 Cb 0.18 0.59 0.34 0.00 -1.71 0.00 0.00 66.02 65.41 3g72 s SER 289 CO 0.67 -1.10 1.28 -1.22 1.20 0.00 0.00 173.24 174.07 3g72 n TYR 290 N -0.36 0.53 -2.59 3.44 4.01 -1.26 -4.68 117.16 116.25 3g72 n TYR 290 Ca -0.07 -0.55 -0.40 0.00 -0.16 0.00 0.00 57.90 56.72 3g72 n TYR 290 Cb 0.62 -0.06 -0.05 0.00 -0.31 0.00 0.00 39.34 39.54 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 -1.11 7.34 0.18 7.72 0.15 -1.26 -3.32 113.70 123.40 3g72 s SER 291 Ca 0.26 2.12 0.22 0.00 0.70 0.00 0.00 55.95 59.25 3g72 s SER 291 Cb 0.15 -2.61 0.89 0.00 -1.71 0.00 0.00 66.02 62.73 3g72 s SER 291 CO 0.15 -0.08 1.66 -1.54 1.20 0.00 0.00 173.24 174.64 3g72 n SER 292 N 1.13 0.49 -0.30 5.45 3.41 -1.26 -2.62 113.62 119.92 3g72 n SER 292 Ca -0.01 0.61 0.14 0.00 -0.26 0.00 0.00 58.87 59.35 3g72 n SER 292 Cb 0.46 -0.72 0.57 0.00 -0.26 0.00 0.00 64.21 64.26 3g72 n SER 292 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3g72 n LYS 293 N -2.03 1.22 -4.26 4.33 4.01 -1.26 -4.78 118.16 115.38 3g72 n LYS 293 Ca 0.03 -0.60 -0.19 0.00 -0.51 0.00 0.00 58.31 57.04 3g72 n LYS 293 Cb 0.24 -1.49 -0.11 0.00 -0.51 0.00 0.00 35.03 33.16 3g72 n LYS 293 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3g72 s LYS 294 N -2.19 1.08 -0.14 1.97 -0.14 -1.17 -5.06 119.74 114.09 3g72 s LYS 294 Ca 0.35 -1.27 -0.06 0.00 -1.36 0.00 0.00 55.97 53.63 3g72 s LYS 294 Cb 0.21 -1.01 -0.04 0.00 -1.68 0.00 0.00 37.83 35.31 3g72 s LYS 294 CO 0.40 0.20 0.06 -0.51 -0.76 0.00 0.00 175.35 174.75 3g72 s LEU 295 N -2.49 3.90 -0.15 3.17 1.43 -1.26 -1.04 118.68 122.23 3g72 s LEU 295 Ca 0.10 0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.38 3g72 s LEU 295 Cb -0.05 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 3g72 s LEU 295 CO 0.04 0.29 -0.09 0.00 0.23 0.00 0.00 176.35 176.82 3g72 s THR 297 N 0.55 4.09 -0.12 0.00 2.01 -1.25 -1.36 115.64 119.56 3g72 s THR 297 Ca -0.06 1.56 -0.07 0.00 0.31 0.00 0.00 61.69 63.44 3g72 s THR 297 Cb -0.15 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 3g72 s THR 297 CO 0.03 -0.03 0.13 -0.76 -0.69 0.00 0.00 174.62 173.31 3g72 s LEU 298 N -2.56 4.34 -0.10 4.42 1.43 -0.81 0.73 118.68 126.12 3g72 s LEU 298 Ca 0.56 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 54.11 3g72 s LEU 298 Cb -0.17 -2.06 0.13 0.00 0.03 0.00 0.00 46.19 44.13 3g72 s LEU 298 CO 0.22 0.40 1.35 0.00 0.23 0.00 0.00 176.35 178.55 3g72 n ALA 299 N 2.05 3.41 -3.42 4.21 0.00 0.13 -4.65 120.51 122.23 3g72 n ALA 299 Ca -0.20 -0.64 -0.21 0.00 0.00 0.00 0.00 53.44 52.40 3g72 n ALA 299 Cb 0.55 -1.11 -0.16 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.76 0.68 0.10 0.00 1.01 -1.26 -2.43 121.20 118.54 3g72 s ILE 300 Ca 0.12 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.54 3g72 s ILE 300 Cb 0.10 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 3g72 s ILE 300 CO 0.02 0.24 -0.05 -1.00 0.00 0.00 0.00 174.94 174.15 3g72 s HIS 301 N 0.64 0.87 0.10 3.97 3.76 -0.61 -4.55 115.29 119.47 3g72 s HIS 301 Ca -0.10 -0.96 -0.23 0.00 -0.15 0.00 0.00 55.06 53.63 3g72 s HIS 301 Cb -0.13 -0.51 -0.07 0.00 1.11 0.00 0.00 32.58 32.98 3g72 s HIS 301 CO 0.01 -0.20 0.70 0.00 -0.85 0.00 0.00 174.74 174.40 3g72 s ALA 302 N -3.68 3.48 -0.22 -1.40 0.00 -1.26 -2.66 121.76 116.01 3g72 s ALA 302 Ca 0.13 0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.23 3g72 s ALA 302 Cb 0.06 -2.85 0.09 0.00 0.00 0.00 0.00 23.12 20.42 3g72 s ALA 302 CO -0.04 0.27 0.48 1.41 0.00 0.00 0.00 175.76 177.88 3g72 s MET 303 N -0.86 0.40 -0.63 0.00 0.00 0.58 -4.88 119.30 113.91 3g72 s MET 303 Ca 0.34 1.10 -0.20 0.00 0.00 0.00 0.00 55.69 56.93 3g72 s MET 303 Cb -0.21 0.40 0.09 0.00 0.00 0.00 0.00 34.83 35.11 3g72 s MET 303 CO 0.23 -0.22 0.81 -0.51 0.00 0.00 0.00 175.02 175.32 3g72 s ASP 304 N 2.48 6.20 -0.25 1.11 1.01 -1.26 -3.89 116.67 122.07 3g72 s ASP 304 Ca -0.04 -1.32 -0.26 0.00 0.71 0.00 0.00 52.55 51.64 3g72 s ASP 304 Cb -0.11 -2.34 0.00 0.00 1.01 0.00 0.00 42.92 41.48 3g72 s ASP 304 CO -0.14 -1.22 0.91 -0.63 0.21 0.00 0.00 175.17 174.30 3g72 s ILE 305 N 3.13 4.76 0.69 0.77 1.01 -1.26 -5.02 121.20 125.27 3g72 s ILE 305 Ca 0.16 1.69 -0.13 0.00 0.00 0.00 0.00 60.65 62.37 3g72 s ILE 305 Cb -0.21 -4.20 0.01 0.00 0.01 0.00 0.00 42.46 38.07 3g72 s ILE 305 CO 0.07 -0.16 1.08 -2.16 0.00 0.00 0.00 174.94 173.77 3g72 s PRO 306 N 3.03 2.76 0.79 2.79 0.04 -1.26 -3.03 135.00 140.11 3g72 s PRO 306 Ca 0.38 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.46 3g72 s PRO 306 Cb -0.15 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3g72 s PRO 306 CO 0.08 -1.26 0.65 -2.30 0.04 0.00 0.00 177.00 174.21 3g72 n PRO 307 N -2.85 0.17 0.08 0.56 -0.02 -0.80 -0.95 135.00 131.19 3g72 n PRO 307 Ca 0.09 0.11 0.12 0.00 -2.02 0.00 0.00 63.50 61.80 3g72 n PRO 307 Cb 0.53 -1.97 0.17 0.00 -0.02 0.00 0.00 33.50 32.21 3g72 n PRO 307 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3g72 h PRO 308 N -0.71 0.00 0.39 0.52 0.13 -2.03 -3.43 132.00 126.87 3g72 h PRO 308 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 3g72 h PRO 308 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 3g72 h PRO 308 CO 0.42 0.00 -0.32 1.15 -0.23 0.00 0.00 178.00 179.02 3g72 h THR 309 N 0.00 0.34 -1.52 1.56 2.02 -1.92 -3.44 112.91 109.95 3g72 h THR 309 Ca 0.00 0.00 -0.45 0.00 0.77 0.00 0.00 66.41 66.73 3g72 h THR 309 Cb 0.79 0.34 0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3g72 h THR 309 CO 0.00 0.00 -0.13 -0.83 0.37 0.00 0.00 175.52 174.93 3g72 s GLY 310 N -2.23 1.84 0.45 2.16 0.00 -0.13 -4.58 107.32 104.83 3g72 s GLY 310 Ca -0.17 -1.76 -0.23 0.00 0.00 0.00 0.00 44.72 42.56 3g72 s GLY 310 CO 0.63 -1.43 1.15 -4.14 0.00 0.00 0.00 173.10 169.31 3g72 s PRO 311 N -4.61 3.84 -0.11 2.90 0.02 -1.17 -1.91 135.00 133.97 3g72 s PRO 311 Ca 0.59 1.75 -0.30 0.00 0.02 0.00 0.00 61.00 63.06 3g72 s PRO 311 Cb -0.08 -2.45 0.11 0.00 0.02 0.00 0.00 34.50 32.10 3g72 s PRO 311 CO 0.37 -0.47 0.92 -0.08 -0.33 0.00 0.00 177.00 177.40 3g72 s THR 312 N -1.55 0.00 0.58 0.99 -1.32 -1.26 -4.72 115.64 108.37 3g72 s THR 312 Ca 0.62 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.95 3g72 s THR 312 Cb -0.28 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.67 3g72 s THR 312 CO 0.34 0.00 1.03 0.26 -2.21 0.00 0.00 174.62 174.04 3g72 s TRP 313 N -1.50 3.20 -0.06 9.09 0.52 -0.39 -4.28 118.94 125.52 3g72 s TRP 313 Ca -0.02 1.47 0.02 0.00 0.02 0.00 0.00 56.10 57.59 3g72 s TRP 313 Cb -0.00 -2.90 0.01 0.00 -1.15 0.00 0.00 33.47 29.42 3g72 s TRP 313 CO 0.01 -0.86 -0.12 0.00 0.02 0.00 0.00 176.95 176.00 3g72 s ALA 314 N -2.63 1.25 -0.42 0.98 0.00 0.88 -0.60 121.76 121.22 3g72 s ALA 314 Ca 0.61 -0.43 -0.10 0.00 0.00 0.00 0.00 51.96 52.05 3g72 s ALA 314 Cb -0.13 -0.55 0.07 0.00 0.00 0.00 0.00 23.12 22.51 3g72 s ALA 314 CO 0.38 0.13 0.26 -0.51 0.00 0.00 0.00 175.76 176.03 3g72 s LEU 315 N 0.59 5.15 0.00 0.00 1.43 0.11 -0.55 118.68 125.41 3g72 s LEU 315 Ca -0.13 -1.45 0.00 0.00 -1.03 0.00 0.00 54.13 51.52 3g72 s LEU 315 Cb -0.15 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.07 3g72 s LEU 315 CO 0.03 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 176.69 3g72 n GLY 316 N 4.94 2.30 0.37 -3.19 0.00 -0.91 -1.28 105.19 107.43 3g72 n GLY 316 Ca -0.10 -1.90 0.02 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.77 1.42 -0.70 4.61 0.00 -0.83 -0.43 119.26 122.57 3g72 h ALA 317 Ca 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.03 3g72 h ALA 317 Cb 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 17.79 17.37 3g72 h ALA 317 CO 0.00 0.45 0.12 1.15 0.00 0.00 0.00 179.25 180.97 3g72 h THR 318 N 1.16 0.50 0.04 0.00 2.02 -1.74 0.37 112.91 115.25 3g72 h THR 318 Ca 0.41 -0.07 -0.14 0.00 0.77 0.00 0.00 66.41 67.37 3g72 h THR 318 Cb 0.13 0.27 0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3g72 h THR 318 CO -0.15 0.04 -0.57 0.15 0.37 0.00 0.00 175.52 175.36 3g72 h PHE 319 N 0.22 0.50 -0.70 3.16 3.04 -1.52 -3.33 116.94 118.31 3g72 h PHE 319 Ca 0.39 -0.30 -0.04 0.00 3.98 0.00 0.00 57.97 62.00 3g72 h PHE 319 Cb 0.65 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 39.08 3g72 h PHE 319 CO -0.30 1.15 0.29 0.82 -2.02 0.00 0.00 178.31 178.24 3g72 h ILE 320 N -0.29 1.24 -1.00 1.41 2.04 -0.58 -1.42 117.51 118.90 3g72 h ILE 320 Ca -0.08 -0.73 0.26 0.00 1.00 0.00 0.00 64.86 65.30 3g72 h ILE 320 Cb 1.33 0.40 -0.13 0.00 -0.74 0.00 0.00 36.82 37.68 3g72 h ILE 320 CO 0.11 0.30 0.59 0.03 0.00 0.00 0.00 178.15 179.18 3g72 h ARG 321 N 1.00 0.53 0.15 2.37 3.08 -0.40 -2.44 114.38 118.67 3g72 h ARG 321 Ca 0.24 -0.03 -0.30 0.00 0.07 0.00 0.00 59.98 59.95 3g72 h ARG 321 Cb 0.18 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.12 3g72 h ARG 321 CO -0.02 0.35 -1.44 -0.22 -1.07 0.00 0.00 179.97 177.57 3g72 h LYS 322 N 0.54 0.32 -4.48 0.04 3.64 -1.41 -3.44 116.57 111.79 3g72 h LYS 322 Ca 0.66 -0.55 -0.63 0.00 -1.27 0.00 0.00 60.65 58.85 3g72 h LYS 322 Cb 1.29 0.21 -0.38 0.00 -0.41 0.00 0.00 32.23 32.93 3g72 h LYS 322 CO -0.50 1.23 -0.78 -0.06 -2.27 0.00 0.00 179.45 177.08 3g72 s PHE 323 N -2.62 2.79 0.17 1.91 0.08 -0.71 -0.79 117.98 118.81 3g72 s PHE 323 Ca -0.08 -2.11 -0.34 0.00 0.12 0.00 0.00 56.93 54.53 3g72 s PHE 323 Cb 0.06 -1.90 -0.14 0.00 -0.57 0.00 0.00 43.02 40.47 3g72 s PHE 323 CO 0.88 -0.84 1.50 0.98 -0.10 0.00 0.00 175.22 177.64 3g72 n TYR 324 N 4.55 2.12 -4.70 0.36 4.19 0.11 -4.38 117.16 119.42 3g72 n TYR 324 Ca -0.09 0.37 -0.27 0.00 3.31 0.00 0.00 57.90 61.22 3g72 n TYR 324 Cb 0.43 -2.49 -0.17 0.00 0.49 0.00 0.00 39.34 37.60 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 0.61 1.41 -0.15 2.97 2.01 -0.91 -0.63 115.64 120.95 3g72 s THR 325 Ca 0.77 -0.63 -0.02 0.00 0.31 0.00 0.00 61.69 62.13 3g72 s THR 325 Cb -0.71 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.51 3g72 s THR 325 CO 0.42 0.42 -0.09 -0.70 -0.69 0.00 0.00 174.62 173.98 3g72 s GLU 326 N 0.66 3.49 -0.24 4.92 2.12 0.11 0.28 118.70 130.05 3g72 s GLU 326 Ca -0.14 -0.62 -0.06 0.00 0.36 0.00 0.00 54.97 54.51 3g72 s GLU 326 Cb -0.16 -2.77 -0.02 0.00 0.26 0.00 0.00 34.13 31.44 3g72 s GLU 326 CO 0.04 0.19 0.04 -0.06 -0.54 0.00 0.00 175.26 174.92 3g72 s PHE 327 N 0.45 3.05 -0.36 5.30 0.08 -0.04 -0.11 117.98 126.35 3g72 s PHE 327 Ca -0.07 -0.62 -0.02 0.00 0.12 0.00 0.00 56.93 56.33 3g72 s PHE 327 Cb -0.15 -2.20 0.08 0.00 -0.57 0.00 0.00 43.02 40.18 3g72 s PHE 327 CO 0.04 -0.43 0.12 0.34 -0.10 0.00 0.00 175.22 175.18 3g72 s ASP 328 N 1.56 5.11 0.07 1.36 -1.08 -0.20 -1.47 116.67 122.02 3g72 s ASP 328 Ca 0.06 -1.71 -0.11 0.00 -0.52 0.00 0.00 52.55 50.27 3g72 s ASP 328 Cb -0.15 -1.78 -0.27 0.00 -1.46 0.00 0.00 42.92 39.26 3g72 s ASP 328 CO 0.01 -0.42 1.12 0.03 0.52 0.00 0.00 175.17 176.43 3g72 h ARG 329 N 8.02 0.51 -0.53 4.34 2.47 -1.13 0.68 114.38 128.73 3g72 h ARG 329 Ca -0.16 -0.72 0.11 0.00 -1.26 0.00 0.00 59.98 57.95 3g72 h ARG 329 Cb 1.05 0.25 -0.10 0.00 -1.65 0.00 0.00 29.97 29.52 3g72 h ARG 329 CO 0.62 1.32 -0.10 -0.09 0.56 0.00 0.00 179.97 182.29 3g72 h ARG 330 N 0.21 0.03 -0.39 0.04 9.65 -1.88 -3.09 114.38 118.94 3g72 h ARG 330 Ca -0.17 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.70 3g72 h ARG 330 Cb 1.93 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.50 3g72 h ARG 330 CO 0.23 0.02 0.00 0.09 2.80 0.00 0.00 179.97 183.11 3g72 n ASN 331 N -5.34 3.06 -3.90 -3.80 4.13 -1.23 -5.01 115.26 103.17 3g72 n ASN 331 Ca 0.06 -1.94 -0.38 0.00 1.68 0.00 0.00 54.58 54.00 3g72 n ASN 331 Cb 0.29 -0.26 0.02 0.00 -1.54 0.00 0.00 39.78 38.30 3g72 n ASN 331 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3g72 n ASN 332 N 0.84 -4.29 -3.72 6.41 3.02 0.18 -4.88 115.26 112.83 3g72 n ASN 332 Ca 0.14 -1.16 -0.11 0.00 -0.03 0.00 0.00 54.58 53.42 3g72 n ASN 332 Cb 0.46 -2.51 -0.06 0.00 -0.61 0.00 0.00 39.78 37.06 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 -6.74 0.89 -0.10 3.52 1.70 -0.91 -1.44 118.95 115.87 3g72 s ARG 333 Ca 0.44 -0.56 0.02 0.00 -0.47 0.00 0.00 55.73 55.16 3g72 s ARG 333 Cb -0.20 0.39 -0.01 0.00 -0.57 0.00 0.00 34.95 34.55 3g72 s ARG 333 CO 0.92 -0.31 -0.17 0.42 -1.08 0.00 0.00 175.30 175.09 3g72 s ILE 334 N -2.94 2.76 -0.12 4.99 1.01 -0.12 -1.04 121.20 125.74 3g72 s ILE 334 Ca -0.02 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 3g72 s ILE 334 Cb 0.00 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 3g72 s ILE 334 CO -0.06 0.55 -0.08 -0.83 0.00 0.00 0.00 174.94 174.52 3g72 s GLY 335 N 0.13 1.64 -0.09 6.18 0.00 0.85 -0.66 107.32 115.38 3g72 s GLY 335 Ca -0.08 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 43.79 3g72 s GLY 335 CO 0.05 -0.27 -0.12 -1.36 0.00 0.00 0.00 173.10 171.40 3g72 s PHE 336 N 0.06 2.79 0.07 1.90 0.08 -0.07 0.07 117.98 122.88 3g72 s PHE 336 Ca -0.02 -0.31 0.03 0.00 0.12 0.00 0.00 56.93 56.75 3g72 s PHE 336 Cb -0.14 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 3g72 s PHE 336 CO 0.03 0.06 -0.10 0.00 -0.10 0.00 0.00 175.22 175.11 3g72 s ALA 337 N -0.31 0.91 -0.07 5.36 0.00 0.20 -1.48 121.76 126.36 3g72 s ALA 337 Ca 0.03 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 3g72 s ALA 337 Cb -0.13 -0.00 -0.06 0.00 0.00 0.00 0.00 23.12 22.93 3g72 s ALA 337 CO 0.03 0.03 1.74 -1.17 0.00 0.00 0.00 175.76 176.39 3g72 s LEU 338 N -1.88 4.22 0.39 0.00 1.98 -1.24 0.04 118.68 122.19 3g72 s LEU 338 Ca -0.03 2.20 -0.26 0.00 -2.89 0.00 0.00 54.13 53.14 3g72 s LEU 338 Cb -0.08 -3.53 -0.09 0.00 0.66 0.00 0.00 46.19 43.15 3g72 s LEU 338 CO 0.01 -1.07 1.23 0.00 -1.89 0.00 0.00 176.35 174.63 3g72 s ALA 339 N 4.57 3.24 -2.11 5.97 0.00 0.03 -0.23 121.76 133.23 3g72 s ALA 339 Ca 0.78 1.10 0.17 0.00 0.00 0.00 0.00 51.96 54.00 3g72 s ALA 339 Cb -0.34 -3.43 0.13 0.00 0.00 0.00 0.00 23.12 19.49 3g72 s ALA 339 CO 0.32 -0.65 1.03 0.54 0.00 0.00 0.00 175.76 177.01