#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxm s ARG 2 N 0.00 3.27 0.90 0.00 0.52 -1.22 -4.99 118.95 117.44 3gxm s ARG 2 Ca 0.00 -0.72 -0.12 0.00 -0.52 0.00 0.00 55.73 54.37 3gxm s ARG 2 Cb 0.00 -2.67 0.13 0.00 0.52 0.00 0.00 34.95 32.93 3gxm s ARG 2 CO 0.00 0.04 1.09 -1.25 0.02 0.00 0.00 175.30 175.20 3gxm s PRO 3 N 0.78 1.24 0.20 3.54 0.04 -1.26 -1.97 135.00 137.57 3gxm s PRO 3 Ca -0.05 0.80 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 3gxm s PRO 3 Cb -0.15 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 3gxm s PRO 3 CO 0.01 -2.25 1.40 0.00 0.04 0.00 0.00 177.00 176.20 3gxm s ILE 5 N 0.31 4.94 0.33 0.00 -1.09 -1.26 -5.01 121.20 119.42 3gxm s ILE 5 Ca 0.60 -0.20 -0.16 0.00 -2.23 0.00 0.00 60.65 58.66 3gxm s ILE 5 Cb -0.40 -4.16 -0.09 0.00 -1.58 0.00 0.00 42.46 36.23 3gxm s ILE 5 CO 0.38 -0.57 0.76 -2.16 -1.23 0.00 0.00 174.94 172.13 3gxm s PRO 6 N 2.50 4.05 -0.03 2.79 0.04 -1.26 -0.23 135.00 142.86 3gxm s PRO 6 Ca 0.17 0.74 -0.03 0.00 0.04 0.00 0.00 61.00 61.92 3gxm s PRO 6 Cb -0.16 -2.44 0.01 0.00 0.04 0.00 0.00 34.50 31.94 3gxm s PRO 6 CO 0.15 0.16 0.08 0.21 0.04 0.00 0.00 177.00 177.64 3gxm s LYS 7 N -2.92 0.10 -0.00 4.56 2.20 -0.57 -4.87 119.74 118.23 3gxm s LYS 7 Ca 0.54 0.12 -0.00 0.00 -0.36 0.00 0.00 55.97 56.27 3gxm s LYS 7 Cb -0.11 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.22 3gxm s LYS 7 CO 0.17 -0.01 0.07 0.45 -0.36 0.00 0.00 175.35 175.67 3gxm s SER 8 N 0.06 5.59 -0.11 1.43 0.15 -1.26 -1.66 113.70 117.90 3gxm s SER 8 Ca -0.00 0.12 0.15 0.00 0.70 0.00 0.00 55.95 56.92 3gxm s SER 8 Cb -0.01 -1.58 0.25 0.00 -1.71 0.00 0.00 66.02 62.97 3gxm s SER 8 CO 0.00 0.27 1.13 0.49 1.20 0.00 0.00 173.24 176.33 3gxm n PHE 9 N 1.22 0.00 -0.79 3.44 3.01 -1.26 -4.98 117.46 118.09 3gxm n PHE 9 Ca -0.13 -0.83 0.00 0.00 1.01 0.00 0.00 57.45 57.49 3gxm n PHE 9 Cb 0.53 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 3gxm n PHE 9 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gxm n GLY 10 N -1.05 0.72 2.94 1.37 0.00 -1.26 -4.94 105.19 102.97 3gxm n GLY 10 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 3gxm n GLY 10 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxm n TYR 11 N -2.47 -2.75 0.29 1.61 4.02 -1.26 -4.99 117.16 111.61 3gxm n TYR 11 Ca 0.00 -1.46 0.18 0.00 -0.01 0.00 0.00 57.90 56.61 3gxm n TYR 11 Cb 0.00 -0.48 0.80 0.00 -0.02 0.00 0.00 39.34 39.64 3gxm n TYR 11 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3gxm h SER 12 N -0.19 0.00 -0.50 7.72 4.64 -1.90 -3.45 113.55 119.88 3gxm h SER 12 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3gxm h SER 12 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3gxm h SER 12 CO 0.28 0.00 0.00 -0.24 -0.87 0.00 0.00 176.83 176.00 3gxm n SER 13 N -3.07 0.00 -4.54 4.97 2.88 -0.35 -4.87 113.62 108.64 3gxm n SER 13 Ca -0.00 -0.26 -0.25 0.00 -1.33 0.00 0.00 58.87 57.03 3gxm n SER 13 Cb 0.25 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.62 3gxm n SER 13 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3gxm s VAL 14 N -1.38 2.94 0.26 2.46 -7.23 -1.25 -4.54 120.40 111.66 3gxm s VAL 14 Ca 0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 3gxm s VAL 14 Cb 0.00 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 3gxm s VAL 14 CO 0.00 -0.27 0.43 0.68 -0.31 0.00 0.00 175.10 175.63 3gxm s VAL 15 N -2.10 5.20 -0.27 1.32 -7.23 -0.67 -4.40 120.40 112.25 3gxm s VAL 15 Ca 0.28 -0.66 -0.10 0.00 -1.81 0.00 0.00 61.98 59.69 3gxm s VAL 15 Cb -0.07 -3.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.00 3gxm s VAL 15 CO 0.16 -0.36 0.16 0.00 -0.31 0.00 0.00 175.10 174.75 3gxm s VAL 17 N 1.68 4.91 0.05 0.00 1.01 0.68 -1.71 120.40 127.02 3gxm s VAL 17 Ca 0.07 1.70 0.05 0.00 0.00 0.00 0.00 61.98 63.80 3gxm s VAL 17 Cb -0.16 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 3gxm s VAL 17 CO 0.09 0.10 -0.15 0.00 0.00 0.00 0.00 175.10 175.14 3gxm n ASN 19 N 1.71 0.00 0.24 0.00 0.23 -0.23 -0.80 115.26 116.41 3gxm n ASN 19 Ca -0.19 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.00 3gxm n ASN 19 Cb 0.54 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.68 3gxm n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gxm h ALA 20 N 1.04 0.98 0.00 -2.53 0.00 -1.91 -3.34 119.26 113.51 3gxm h ALA 20 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gxm h ALA 20 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3gxm h ALA 20 CO 0.00 0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.58 3gxm n THR 21 N -3.15 0.00 -3.67 0.00 -2.24 -1.26 -4.08 114.28 99.88 3gxm n THR 21 Ca 0.02 -0.44 -0.08 0.00 -2.27 0.00 0.00 64.05 61.27 3gxm n THR 21 Cb 0.43 1.09 -0.09 0.00 -2.10 0.00 0.00 70.33 69.66 3gxm n THR 21 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3gxm s TYR 22 N -0.20 -0.81 -0.01 4.78 5.04 -1.25 -5.14 117.35 119.75 3gxm s TYR 22 Ca 0.00 1.56 -0.10 0.00 -2.44 0.00 0.00 57.07 56.10 3gxm s TYR 22 Cb 0.00 0.35 0.01 0.00 0.35 0.00 0.00 41.96 42.67 3gxm s TYR 22 CO 0.00 -0.46 0.20 0.00 -1.34 0.00 0.00 175.55 173.95 3gxm s ASP 24 N -1.20 5.78 0.29 0.00 -4.77 -1.26 -4.78 116.67 110.72 3gxm s ASP 24 Ca -0.13 2.78 -0.11 0.00 -3.30 0.00 0.00 52.55 51.80 3gxm s ASP 24 Cb -0.06 -2.64 0.01 0.00 -1.09 0.00 0.00 42.92 39.13 3gxm s ASP 24 CO 0.02 -1.23 0.53 -0.94 0.70 0.00 0.00 175.17 174.25 3gxm s SER 25 N -0.75 0.20 0.25 2.11 1.04 -0.83 -4.93 113.70 110.79 3gxm s SER 25 Ca 0.64 -1.11 0.08 0.00 0.48 0.00 0.00 55.95 56.04 3gxm s SER 25 Cb -0.41 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 3gxm s SER 25 CO 0.51 -1.26 0.09 -0.36 0.98 0.00 0.00 173.24 173.19 3gxm s PHE 26 N -3.52 2.90 0.60 5.02 0.40 0.11 -2.86 117.98 120.63 3gxm s PHE 26 Ca 0.23 -0.16 -0.14 0.00 -0.60 0.00 0.00 56.93 56.27 3gxm s PHE 26 Cb -0.01 -1.30 -0.04 0.00 0.51 0.00 0.00 43.02 42.17 3gxm s PHE 26 CO 0.12 0.57 1.03 -0.51 0.70 0.00 0.00 175.22 177.13 3gxm s ASP 27 N -3.70 6.09 0.13 1.36 1.01 -1.26 -4.48 116.67 115.82 3gxm s ASP 27 Ca 0.32 1.58 -0.35 0.00 0.71 0.00 0.00 52.55 54.81 3gxm s ASP 27 Cb -0.07 -2.50 -0.15 0.00 1.01 0.00 0.00 42.92 41.21 3gxm s ASP 27 CO 0.22 -0.96 1.52 -2.65 0.21 0.00 0.00 175.17 173.52 3gxm n PRO 28 N -2.33 1.86 -1.45 8.23 -0.02 -1.26 -4.80 135.00 135.22 3gxm n PRO 28 Ca 0.07 0.67 -0.53 0.00 -2.02 0.00 0.00 63.50 61.69 3gxm n PRO 28 Cb 0.54 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 3gxm n PRO 28 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3gxm n PRO 29 N 3.25 0.02 -3.29 0.52 -0.02 -1.26 -4.99 135.00 129.23 3gxm n PRO 29 Ca 0.18 0.01 -0.06 0.00 -2.02 0.00 0.00 63.50 61.60 3gxm n PRO 29 Cb 0.26 -1.26 -0.06 0.00 -0.02 0.00 0.00 33.50 32.42 3gxm n PRO 29 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3gxm s THR 30 N -0.50 -0.69 -0.10 3.45 2.01 -1.26 -5.17 115.64 113.38 3gxm s THR 30 Ca 0.77 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.65 3gxm s THR 30 Cb -1.09 -0.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 3gxm s THR 30 CO 0.56 -0.16 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.84 3gxm s PHE 31 N 2.61 2.77 1.09 4.92 0.08 -1.26 -5.10 117.98 123.08 3gxm s PHE 31 Ca 0.13 -0.43 -0.17 0.00 0.12 0.00 0.00 56.93 56.57 3gxm s PHE 31 Cb -0.14 -1.76 0.24 0.00 -0.57 0.00 0.00 43.02 40.79 3gxm s PHE 31 CO -0.22 -0.04 1.16 -1.25 -0.10 0.00 0.00 175.22 174.76 3gxm s PRO 32 N -0.10 -0.31 0.76 0.24 0.04 -1.26 -5.04 135.00 129.34 3gxm s PRO 32 Ca -0.02 -0.02 -0.12 0.00 0.04 0.00 0.00 61.00 60.88 3gxm s PRO 32 Cb -0.14 -1.70 0.05 0.00 0.04 0.00 0.00 34.50 32.76 3gxm s PRO 32 CO 0.04 -3.11 1.13 0.00 0.04 0.00 0.00 177.00 175.09 3gxm s ALA 33 N -3.22 2.15 0.19 8.56 0.00 -1.26 -4.60 121.76 123.57 3gxm s ALA 33 Ca 0.70 0.51 -0.31 0.00 0.00 0.00 0.00 51.96 52.86 3gxm s ALA 33 Cb -0.10 -3.35 -0.16 0.00 0.00 0.00 0.00 23.12 19.50 3gxm s ALA 33 CO 0.55 -1.83 0.96 -0.11 0.00 0.00 0.00 175.76 175.33 3gxm n LEU 34 N -3.20 0.77 0.00 0.00 7.94 -1.26 -1.23 117.00 120.01 3gxm n LEU 34 Ca 0.11 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.16 3gxm n LEU 34 Cb 0.52 -1.14 0.00 0.00 0.53 0.00 0.00 43.42 43.33 3gxm n LEU 34 CO 0.50 -1.80 0.00 0.61 -1.11 0.00 0.00 177.39 175.59 3gxm n GLY 35 N 1.76 0.93 3.23 -3.96 0.00 -1.26 -5.04 105.19 100.85 3gxm n GLY 35 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3gxm n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gxm s THR 36 N -2.80 1.79 0.25 2.61 2.01 -0.37 0.55 115.64 119.68 3gxm s THR 36 Ca 0.00 -0.94 0.08 0.00 0.31 0.00 0.00 61.69 61.15 3gxm s THR 36 Cb 0.00 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 3gxm s THR 36 CO 0.00 0.50 0.08 0.72 -0.69 0.00 0.00 174.62 175.24 3gxm s PHE 37 N -0.23 2.89 -0.01 4.92 -0.12 -0.30 -4.55 117.98 120.59 3gxm s PHE 37 Ca 0.00 -0.16 0.02 0.00 -0.05 0.00 0.00 56.93 56.75 3gxm s PHE 37 Cb -0.11 -1.31 -0.03 0.00 -0.63 0.00 0.00 43.02 40.94 3gxm s PHE 37 CO 0.02 0.57 -0.05 -1.12 -0.05 0.00 0.00 175.22 174.58 3gxm s SER 38 N -3.64 4.75 -0.06 1.98 0.01 -0.10 -2.31 113.70 114.33 3gxm s SER 38 Ca 0.32 -0.09 -0.00 0.00 1.31 0.00 0.00 55.95 57.48 3gxm s SER 38 Cb -0.07 -1.16 0.03 0.00 0.21 0.00 0.00 66.02 65.03 3gxm s SER 38 CO 0.22 0.30 -0.01 -0.60 0.41 0.00 0.00 173.24 173.55 3gxm s ARG 39 N -1.35 0.66 -0.17 12.44 3.52 0.46 -0.38 118.95 134.13 3gxm s ARG 39 Ca 0.17 0.03 -0.08 0.00 -0.13 0.00 0.00 55.73 55.72 3gxm s ARG 39 Cb -0.11 -0.88 -0.04 0.00 -1.56 0.00 0.00 34.95 32.35 3gxm s ARG 39 CO 0.07 -0.21 0.10 0.71 -0.81 0.00 0.00 175.30 175.16 3gxm s TYR 40 N 1.52 3.37 -0.04 5.12 1.51 -0.53 -0.79 117.35 127.51 3gxm s TYR 40 Ca -0.02 0.27 0.02 0.00 -1.01 0.00 0.00 57.07 56.33 3gxm s TYR 40 Cb -0.13 -2.07 0.01 0.00 -0.11 0.00 0.00 41.96 39.66 3gxm s TYR 40 CO -0.03 0.33 -0.10 -2.00 -1.11 0.00 0.00 175.55 172.64 3gxm s GLU 41 N 0.04 1.23 -0.03 -0.62 2.12 -0.20 -0.24 118.70 121.00 3gxm s GLU 41 Ca 0.08 -0.34 0.05 0.00 0.36 0.00 0.00 54.97 55.12 3gxm s GLU 41 Cb -0.12 -1.10 -0.01 0.00 0.26 0.00 0.00 34.13 33.16 3gxm s GLU 41 CO 0.00 0.08 -0.19 -1.12 -0.54 0.00 0.00 175.26 173.49 3gxm s SER 42 N 0.39 2.30 0.09 -1.70 0.01 -0.83 0.01 113.70 113.97 3gxm s SER 42 Ca -0.07 -0.37 0.06 0.00 1.31 0.00 0.00 55.95 56.88 3gxm s SER 42 Cb -0.12 -0.47 -0.03 0.00 0.21 0.00 0.00 66.02 65.61 3gxm s SER 42 CO 0.01 0.20 -0.16 0.42 0.41 0.00 0.00 173.24 174.13 3gxm s THR 43 N -0.20 1.31 0.33 1.44 -4.23 0.43 -1.27 115.64 113.45 3gxm s THR 43 Ca 0.01 -1.44 0.02 0.00 -1.18 0.00 0.00 61.69 59.10 3gxm s THR 43 Cb -0.10 -1.28 0.21 0.00 1.34 0.00 0.00 72.50 72.67 3gxm s THR 43 CO 0.01 -0.22 1.93 -0.09 -0.54 0.00 0.00 174.62 175.72 3gxm h ARG 44 N 4.09 0.74 -0.22 3.99 2.43 -1.58 -0.49 114.38 123.35 3gxm h ARG 44 Ca -0.42 -0.10 0.06 0.00 -0.81 0.00 0.00 59.98 58.72 3gxm h ARG 44 Cb 1.19 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 3gxm h ARG 44 CO 0.42 0.59 0.34 0.66 -1.51 0.00 0.00 179.97 180.47 3gxm h SER 45 N 0.74 0.00 0.00 -3.80 4.64 -1.90 -3.42 113.55 109.82 3gxm h SER 45 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3gxm h SER 45 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3gxm h SER 45 CO -0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 3gxm n GLY 46 N -1.37 0.53 3.76 -0.77 0.00 -0.19 -5.02 105.19 102.12 3gxm n GLY 46 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3gxm n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gxm s ARG 47 N 0.00 4.48 -0.23 1.61 0.52 -1.22 -4.85 118.95 119.25 3gxm s ARG 47 Ca 0.00 2.00 -0.01 0.00 -0.52 0.00 0.00 55.73 57.20 3gxm s ARG 47 Cb 0.00 -3.15 0.07 0.00 0.52 0.00 0.00 34.95 32.39 3gxm s ARG 47 CO 0.00 -0.03 0.03 1.03 0.02 0.00 0.00 175.30 176.35 3gxm s ARG 48 N -1.26 0.89 -1.77 3.54 1.81 -1.25 -0.43 118.95 120.48 3gxm s ARG 48 Ca 0.49 -0.73 -0.17 0.00 -1.72 0.00 0.00 55.73 53.60 3gxm s ARG 48 Cb -0.36 -2.19 0.17 0.00 -0.45 0.00 0.00 34.95 32.12 3gxm s ARG 48 CO 0.45 -0.72 0.46 -1.33 -0.68 0.00 0.00 175.30 173.47 3gxm n MET 49 N 4.91 -1.05 -2.38 3.54 2.81 -0.60 -4.88 117.12 119.47 3gxm n MET 49 Ca -0.08 0.15 -0.42 0.00 -1.81 0.00 0.00 57.70 55.54 3gxm n MET 49 Cb 0.45 -4.46 -0.03 0.00 -0.71 0.00 0.00 33.22 28.48 3gxm n MET 49 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3gxm s GLU 50 N -7.24 4.32 -0.01 0.03 2.02 0.10 -4.61 118.70 113.31 3gxm s GLU 50 Ca 0.60 1.76 -0.18 0.00 0.02 0.00 0.00 54.97 57.16 3gxm s GLU 50 Cb -0.35 -3.58 -0.06 0.00 0.10 0.00 0.00 34.13 30.25 3gxm s GLU 50 CO 1.01 -0.51 0.52 -1.17 0.02 0.00 0.00 175.26 175.13 3gxm s LEU 51 N 2.39 4.43 0.13 1.80 2.96 -1.26 -1.03 118.68 128.10 3gxm s LEU 51 Ca 0.58 1.07 -0.09 0.00 -0.22 0.00 0.00 54.13 55.47 3gxm s LEU 51 Cb -0.26 -2.79 -0.00 0.00 0.50 0.00 0.00 46.19 43.64 3gxm s LEU 51 CO 0.23 0.18 0.25 -0.94 -1.32 0.00 0.00 176.35 174.74 3gxm s SER 52 N -0.46 0.06 0.37 3.68 1.04 0.03 -5.00 113.70 113.42 3gxm s SER 52 Ca 0.28 -0.75 0.05 0.00 0.48 0.00 0.00 55.95 56.01 3gxm s SER 52 Cb -0.17 0.39 -0.06 0.00 0.10 0.00 0.00 66.02 66.27 3gxm s SER 52 CO 0.15 -0.82 0.04 -0.04 0.98 0.00 0.00 173.24 173.56 3gxm s MET 53 N -3.91 1.81 0.03 4.02 -1.94 -1.26 -0.40 119.30 117.64 3gxm s MET 53 Ca 0.11 -2.03 -0.29 0.00 -1.71 0.00 0.00 55.69 51.78 3gxm s MET 53 Cb 0.04 -1.17 0.10 0.00 2.01 0.00 0.00 34.83 35.81 3gxm s MET 53 CO -0.06 -0.16 1.21 0.20 -0.01 0.00 0.00 175.02 176.20 3gxm s GLY 54 N -3.60 -0.31 0.31 -0.03 0.00 -0.98 -4.98 107.32 97.74 3gxm s GLY 54 Ca 0.34 0.45 -0.05 0.00 0.00 0.00 0.00 44.72 45.46 3gxm s GLY 54 CO 0.16 0.87 0.57 2.56 0.00 0.00 0.00 173.10 177.26 3gxm s PRO 55 N -2.52 3.62 -0.41 2.90 0.04 -1.26 -1.15 135.00 136.22 3gxm s PRO 55 Ca 0.16 0.00 -0.09 0.00 0.04 0.00 0.00 61.00 61.12 3gxm s PRO 55 Cb 0.03 -2.62 0.07 0.00 0.04 0.00 0.00 34.50 32.02 3gxm s PRO 55 CO -0.02 0.18 0.24 0.42 0.04 0.00 0.00 177.00 177.86 3gxm s ILE 56 N -2.15 4.18 0.50 0.56 1.01 0.19 -4.62 121.20 120.86 3gxm s ILE 56 Ca 0.44 -1.36 0.01 0.00 0.00 0.00 0.00 60.65 59.74 3gxm s ILE 56 Cb -0.11 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.84 3gxm s ILE 56 CO 0.31 -0.46 0.72 -1.10 0.00 0.00 0.00 174.94 174.41 3gxm s GLN 57 N 1.42 2.82 0.03 2.79 -0.21 0.80 -4.60 119.66 122.70 3gxm s GLN 57 Ca 0.03 -0.64 0.03 0.00 0.02 0.00 0.00 55.36 54.79 3gxm s GLN 57 Cb -0.22 -2.53 -0.25 0.00 1.00 0.00 0.00 33.01 31.01 3gxm s GLN 57 CO 0.02 -0.47 0.94 0.00 -2.12 0.00 0.00 175.29 173.66 3gxm h ALA 58 N 0.25 0.38 -3.09 6.09 0.00 -1.87 0.38 119.26 121.41 3gxm h ALA 58 Ca -0.44 -1.12 -0.63 0.00 0.00 0.00 0.00 54.91 52.72 3gxm h ALA 58 Cb 1.27 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 3gxm h ALA 58 CO 0.55 1.25 -0.58 -0.80 0.00 0.00 0.00 179.25 179.67 3gxm s ASN 59 N -6.74 5.70 -0.52 0.00 -0.87 -1.26 -4.78 114.94 106.46 3gxm s ASN 59 Ca -0.05 0.04 -0.17 0.00 -1.57 0.00 0.00 52.86 51.11 3gxm s ASN 59 Cb 0.08 -1.58 0.09 0.00 -0.02 0.00 0.00 41.25 39.83 3gxm s ASN 59 CO 0.84 0.16 0.51 -2.28 -2.57 0.00 0.00 177.10 173.76 3gxm s HIS 60 N -1.44 3.18 -0.98 2.20 2.46 -1.26 -4.78 115.29 114.67 3gxm s HIS 60 Ca 0.31 -1.00 0.24 0.00 0.47 0.00 0.00 55.06 55.07 3gxm s HIS 60 Cb -0.12 -3.55 0.29 0.00 -0.13 0.00 0.00 32.58 29.07 3gxm s HIS 60 CO 0.23 -0.98 1.26 0.25 -2.47 0.00 0.00 174.74 173.04 3gxm n THR 61 N 5.32 0.01 -3.19 0.89 -2.24 -1.26 -4.94 114.28 108.87 3gxm n THR 61 Ca -0.12 -0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.33 3gxm n THR 61 Cb 0.42 0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 69.03 3gxm n THR 61 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3gxm s GLY 62 N -3.04 2.32 0.00 3.38 0.00 -1.26 -5.00 107.32 103.72 3gxm s GLY 62 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.80 3gxm s GLY 62 CO 0.75 0.17 0.90 -1.30 0.00 0.00 0.00 173.10 173.62 3gxm n THR 63 N -0.33 0.81 -1.47 0.90 -2.24 -1.26 -5.05 114.28 105.63 3gxm n THR 63 Ca 0.03 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 3gxm n THR 63 Cb 0.53 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 3gxm n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gxm n GLY 64 N -0.40 2.03 3.60 3.38 0.00 -1.26 -5.04 105.19 107.49 3gxm n GLY 64 Ca 0.00 -1.96 -0.48 0.00 0.00 0.00 0.00 46.02 43.58 3gxm n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gxm n LEU 65 N 0.00 1.91 -4.20 0.99 7.94 -1.26 -4.85 117.00 117.53 3gxm n LEU 65 Ca 0.00 1.14 -0.31 0.00 -1.11 0.00 0.00 56.01 55.73 3gxm n LEU 65 Cb 0.00 -1.26 -0.17 0.00 0.53 0.00 0.00 43.42 42.52 3gxm n LEU 65 CO 0.00 -1.09 -0.55 -0.22 -1.11 0.00 0.00 177.39 174.42 3gxm s LEU 66 N 0.53 2.03 -0.17 -1.96 2.96 -1.26 -1.38 118.68 119.43 3gxm s LEU 66 Ca 0.73 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 54.09 3gxm s LEU 66 Cb -0.81 -1.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 3gxm s LEU 66 CO 0.51 0.16 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.88 3gxm s LEU 67 N 0.29 2.98 -0.19 -0.68 1.43 0.10 -2.06 118.68 120.56 3gxm s LEU 67 Ca -0.16 -0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 3gxm s LEU 67 Cb -0.17 -1.72 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 3gxm s LEU 67 CO 0.07 0.10 -0.10 -0.89 0.23 0.00 0.00 176.35 175.76 3gxm s THR 68 N 0.77 3.00 0.21 5.49 2.01 -0.28 0.27 115.64 127.11 3gxm s THR 68 Ca -0.03 -0.63 -0.31 0.00 0.31 0.00 0.00 61.69 61.03 3gxm s THR 68 Cb -0.15 -2.32 -0.10 0.00 0.01 0.00 0.00 72.50 69.94 3gxm s THR 68 CO 0.02 0.48 1.47 -0.22 -0.69 0.00 0.00 174.62 175.68 3gxm s LEU 69 N 1.13 4.38 -0.59 4.42 1.98 0.33 -0.95 118.68 129.39 3gxm s LEU 69 Ca 0.01 2.62 0.05 0.00 -2.89 0.00 0.00 54.13 53.92 3gxm s LEU 69 Cb -0.14 -3.61 0.18 0.00 0.66 0.00 0.00 46.19 43.28 3gxm s LEU 69 CO -0.03 -0.73 0.47 0.00 -1.89 0.00 0.00 176.35 174.17 3gxm n GLN 70 N 2.98 1.29 0.26 1.98 1.13 0.14 -4.55 117.38 120.61 3gxm n GLN 70 Ca 0.09 -4.00 0.17 0.00 -1.94 0.00 0.00 57.00 51.33 3gxm n GLN 70 Cb 0.40 -2.02 0.93 0.00 0.11 0.00 0.00 30.24 29.66 3gxm n GLN 70 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 3gxm h PRO 71 N 5.28 0.00 0.01 -1.09 0.13 -1.94 -2.24 132.00 132.14 3gxm h PRO 71 Ca 0.19 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.07 3gxm h PRO 71 Cb 0.80 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.90 3gxm h PRO 71 CO 0.60 0.00 -1.33 0.93 -0.23 0.00 0.00 178.00 177.97 3gxm h GLU 72 N 0.00 0.02 -6.69 0.86 4.39 -1.94 -3.41 114.58 107.81 3gxm h GLU 72 Ca 0.00 -0.03 -0.56 0.00 0.34 0.00 0.00 59.36 59.11 3gxm h GLU 72 Cb 0.01 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.60 3gxm h GLU 72 CO 0.00 0.80 0.94 -0.65 -1.16 0.00 0.00 179.01 178.94 3gxm s GLN 73 N -2.66 3.69 -0.07 2.33 -0.21 -0.87 -5.02 119.66 116.85 3gxm s GLN 73 Ca -0.02 0.56 0.02 0.00 0.02 0.00 0.00 55.36 55.93 3gxm s GLN 73 Cb 0.09 -3.93 -0.03 0.00 1.00 0.00 0.00 33.01 30.15 3gxm s GLN 73 CO 0.82 -1.43 -0.11 0.15 -2.12 0.00 0.00 175.29 172.61 3gxm s LYS 74 N 4.55 2.78 0.00 2.91 1.02 -1.26 -1.25 119.74 128.49 3gxm s LYS 74 Ca 0.48 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.85 3gxm s LYS 74 Cb -0.07 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 3gxm s LYS 74 CO 0.31 0.56 0.00 1.19 -0.92 0.00 0.00 175.35 176.50 3gxm n PHE 75 N 2.51 0.00 -2.63 3.18 3.01 0.18 -4.99 117.46 118.73 3gxm n PHE 75 Ca -0.18 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.93 3gxm n PHE 75 Cb 0.53 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.95 3gxm n PHE 75 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3gxm s GLN 76 N 4.50 4.20 0.13 -1.08 0.00 -1.26 -4.64 119.66 121.51 3gxm s GLN 76 Ca 0.00 1.40 -0.14 0.00 -0.00 0.00 0.00 55.36 56.62 3gxm s GLN 76 Cb 0.00 -2.48 -0.07 0.00 0.00 0.00 0.00 33.01 30.47 3gxm s GLN 76 CO 0.00 -0.09 0.52 0.15 0.00 0.00 0.00 175.29 175.87 3gxm s LYS 77 N -2.61 3.95 -0.16 9.60 1.02 -1.26 -0.76 119.74 129.52 3gxm s LYS 77 Ca 0.58 0.45 -0.16 0.00 0.02 0.00 0.00 55.97 56.86 3gxm s LYS 77 Cb -0.19 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 3gxm s LYS 77 CO 0.24 0.51 0.38 0.08 -0.92 0.00 0.00 175.35 175.63 3gxm s VAL 78 N -1.42 5.25 -0.09 3.17 1.01 0.64 -4.72 120.40 124.23 3gxm s VAL 78 Ca 0.36 0.72 -0.21 0.00 0.00 0.00 0.00 61.98 62.84 3gxm s VAL 78 Cb -0.15 -3.71 -0.18 0.00 0.00 0.00 0.00 36.38 32.34 3gxm s VAL 78 CO 0.19 0.34 0.72 0.50 0.00 0.00 0.00 175.10 176.84 3gxm h LYS 79 N 6.84 -0.07 0.00 2.72 1.63 0.15 0.19 116.57 128.04 3gxm h LYS 79 Ca -0.40 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 3gxm h LYS 79 Cb 1.17 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 3gxm h LYS 79 CO 0.75 0.53 0.00 0.41 -3.45 0.00 0.00 179.45 177.69 3gxm n GLY 80 N 1.19 -0.54 3.07 5.01 0.00 -1.19 -4.37 105.19 108.35 3gxm n GLY 80 Ca -0.07 -1.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 3gxm n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxm s PHE 81 N -3.00 -0.20 0.00 1.61 0.40 -1.26 -0.67 117.98 114.87 3gxm s PHE 81 Ca 0.00 0.49 0.00 0.00 -0.60 0.00 0.00 56.93 56.82 3gxm s PHE 81 Cb 0.00 0.07 0.00 0.00 0.51 0.00 0.00 43.02 43.60 3gxm s PHE 81 CO 0.00 -0.10 0.00 0.41 0.70 0.00 0.00 175.22 176.23 3gxm n GLY 82 N 2.96 1.72 3.78 4.36 0.00 -0.37 -1.13 105.19 116.51 3gxm n GLY 82 Ca -0.13 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 3gxm n GLY 82 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gxm s GLY 83 N -0.35 0.46 -0.22 -0.02 0.00 -1.08 -0.16 107.32 105.95 3gxm s GLY 83 Ca 0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 44.72 43.81 3gxm s GLY 83 CO 0.00 -0.37 0.15 0.00 0.00 0.00 0.00 173.10 172.88 3gxm s ALA 84 N -2.47 3.65 -1.29 3.20 0.00 -0.56 -1.48 121.76 122.80 3gxm s ALA 84 Ca 0.17 -0.77 -0.10 0.00 0.00 0.00 0.00 51.96 51.26 3gxm s ALA 84 Cb -0.05 -2.25 0.15 0.00 0.00 0.00 0.00 23.12 20.98 3gxm s ALA 84 CO 0.12 -0.00 1.88 -0.12 0.00 0.00 0.00 175.76 177.63 3gxm n MET 85 N 3.87 3.51 -1.33 0.00 1.56 0.40 -1.71 117.12 123.42 3gxm n MET 85 Ca -0.15 -3.45 -0.30 0.00 -0.27 0.00 0.00 57.70 53.53 3gxm n MET 85 Cb 0.52 -2.98 0.12 0.00 2.15 0.00 0.00 33.22 33.02 3gxm n MET 85 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3gxm s THR 86 N 0.84 2.88 0.22 1.12 -4.23 -1.26 -4.55 115.64 110.66 3gxm s THR 86 Ca 0.41 0.29 -0.08 0.00 -1.18 0.00 0.00 61.69 61.13 3gxm s THR 86 Cb 0.09 -2.86 0.16 0.00 1.34 0.00 0.00 72.50 71.23 3gxm s THR 86 CO -0.00 -0.38 1.77 0.44 -0.54 0.00 0.00 174.62 175.91 3gxm h ASP 87 N -1.34 0.41 -0.43 3.99 3.32 -1.94 -0.35 116.42 120.08 3gxm h ASP 87 Ca -0.48 0.06 0.01 0.00 0.02 0.00 0.00 57.03 56.64 3gxm h ASP 87 Cb 1.27 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 3gxm h ASP 87 CO 0.56 0.24 0.26 0.00 -1.72 0.00 0.00 179.24 178.58 3gxm h ALA 88 N 1.41 0.54 -0.34 3.45 0.00 -1.72 0.36 119.26 122.97 3gxm h ALA 88 Ca 0.33 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 3gxm h ALA 88 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3gxm h ALA 88 CO -0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 179.25 178.90 3gxm h ALA 89 N 1.18 0.46 -0.98 0.00 0.00 -1.51 -2.47 119.26 115.94 3gxm h ALA 89 Ca 0.17 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3gxm h ALA 89 Cb -0.02 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3gxm h ALA 89 CO -0.06 0.25 0.64 0.00 0.00 0.00 0.00 179.25 180.08 3gxm h ALA 90 N 0.83 1.31 -1.20 0.00 0.00 -0.93 -1.30 119.26 117.98 3gxm h ALA 90 Ca 0.09 -0.04 0.34 0.00 0.00 0.00 0.00 54.91 55.31 3gxm h ALA 90 Cb 0.51 -0.33 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 3gxm h ALA 90 CO 0.02 0.49 0.81 -0.07 0.00 0.00 0.00 179.25 180.51 3gxm h LEU 91 N 1.21 0.23 0.00 0.00 3.38 0.21 -2.00 115.31 118.33 3gxm h LEU 91 Ca 0.40 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.43 3gxm h LEU 91 Cb 0.05 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3gxm h LEU 91 CO -0.14 -0.00 -0.42 0.59 0.09 0.00 0.00 178.44 178.56 3gxm n ASN 92 N -4.45 0.12 -0.21 -0.43 3.02 -1.05 -2.85 115.26 109.40 3gxm n ASN 92 Ca 0.29 0.07 0.02 0.00 -0.03 0.00 0.00 54.58 54.92 3gxm n ASN 92 Cb 1.18 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 40.48 3gxm n ASN 92 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3gxm h ILE 93 N 0.00 0.68 -0.00 2.41 2.04 -1.27 -2.96 117.51 118.40 3gxm h ILE 93 Ca 0.00 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3gxm h ILE 93 Cb 0.42 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3gxm h ILE 93 CO 0.00 0.06 -0.03 0.18 0.00 0.00 0.00 178.15 178.37 3gxm n LEU 94 N -5.06 0.13 -0.05 1.44 4.77 -0.75 -2.58 117.00 114.89 3gxm n LEU 94 Ca 0.10 0.16 0.13 0.00 -0.03 0.00 0.00 56.01 56.37 3gxm n LEU 94 Cb 0.33 -0.21 0.41 0.00 -2.33 0.00 0.00 43.42 41.63 3gxm n LEU 94 CO 0.19 0.02 0.66 0.00 -1.33 0.00 0.00 177.39 176.94 3gxm n ALA 95 N -1.14 3.08 -2.14 -1.18 0.00 -1.12 -4.83 120.51 113.19 3gxm n ALA 95 Ca 0.16 -0.29 -0.32 0.00 0.00 0.00 0.00 53.44 53.00 3gxm n ALA 95 Cb 0.23 -1.24 -0.05 0.00 0.00 0.00 0.00 19.45 18.39 3gxm n ALA 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gxm s LEU 96 N -2.85 3.96 0.56 0.00 1.43 -1.07 -4.91 118.68 115.81 3gxm s LEU 96 Ca 0.16 1.25 -0.20 0.00 -1.03 0.00 0.00 54.13 54.31 3gxm s LEU 96 Cb 0.18 -4.08 -0.05 0.00 0.03 0.00 0.00 46.19 42.28 3gxm s LEU 96 CO 0.60 -0.29 1.21 -0.94 0.23 0.00 0.00 176.35 177.16 3gxm s SER 97 N -2.61 5.46 0.33 2.29 1.04 -1.26 -4.67 113.70 114.27 3gxm s SER 97 Ca 0.53 2.39 0.10 0.00 0.48 0.00 0.00 55.95 59.46 3gxm s SER 97 Cb -0.10 -2.60 0.98 0.00 0.10 0.00 0.00 66.02 64.39 3gxm s SER 97 CO 0.23 -1.41 1.64 -0.65 0.98 0.00 0.00 173.24 174.03 3gxm h PRO 98 N 1.22 0.23 -0.43 4.02 0.11 -1.95 -0.18 132.00 135.02 3gxm h PRO 98 Ca -0.50 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 3gxm h PRO 98 Cb 1.28 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3gxm h PRO 98 CO 0.57 0.15 -0.06 -1.35 -0.21 0.00 0.00 178.00 177.10 3gxm h PRO 99 N 0.24 0.73 -0.32 1.05 0.11 -1.91 -1.91 132.00 129.98 3gxm h PRO 99 Ca 0.68 -0.21 -0.12 0.00 0.11 0.00 0.00 66.00 66.46 3gxm h PRO 99 Cb 1.53 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.55 3gxm h PRO 99 CO -0.66 0.78 -0.29 0.00 -0.21 0.00 0.00 178.00 177.63 3gxm h ALA 100 N 1.26 0.89 -0.55 -0.75 0.00 -1.23 -2.62 119.26 116.27 3gxm h ALA 100 Ca 0.13 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.69 3gxm h ALA 100 Cb 0.50 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3gxm h ALA 100 CO 0.03 0.62 0.29 1.96 0.00 0.00 0.00 179.25 182.16 3gxm h GLN 101 N 0.58 0.55 -0.06 0.00 4.20 -0.66 -2.24 115.11 117.48 3gxm h GLN 101 Ca 0.07 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 3gxm h GLN 101 Cb 0.78 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 3gxm h GLN 101 CO 0.06 0.37 -0.47 -0.91 -0.67 0.00 0.00 178.83 177.21 3gxm h ASN 102 N 0.57 0.16 0.27 1.46 2.35 -1.23 -0.04 115.58 119.12 3gxm h ASN 102 Ca 0.24 -0.07 -0.18 0.00 -0.55 0.00 0.00 56.30 55.73 3gxm h ASN 102 Cb 0.12 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3gxm h ASN 102 CO -0.15 0.61 -0.73 -0.07 -1.65 0.00 0.00 177.43 175.44 3gxm h LEU 103 N 0.12 0.47 -0.26 1.61 3.38 -1.28 -1.01 115.31 118.34 3gxm h LEU 103 Ca 0.01 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3gxm h LEU 103 Cb 0.88 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3gxm h LEU 103 CO 0.07 1.04 0.11 0.25 0.09 0.00 0.00 178.44 180.00 3gxm h LEU 104 N 0.27 0.35 -0.90 1.67 6.46 -1.16 -1.53 115.31 120.47 3gxm h LEU 104 Ca -0.03 -0.16 -0.09 0.00 -0.12 0.00 0.00 57.88 57.48 3gxm h LEU 104 Cb 1.30 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 41.12 3gxm h LEU 104 CO 0.12 0.41 -0.14 -0.07 -0.62 0.00 0.00 178.44 178.15 3gxm h LEU 105 N 0.27 0.65 -1.16 2.25 3.38 -0.86 -2.22 115.31 117.62 3gxm h LEU 105 Ca 0.09 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3gxm h LEU 105 Cb 0.17 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3gxm h LEU 105 CO -0.01 0.81 -0.21 0.11 0.09 0.00 0.00 178.44 179.23 3gxm h LYS 106 N 0.59 0.32 -0.34 1.13 1.57 -1.20 0.00 116.57 118.65 3gxm h LYS 106 Ca 0.10 -0.10 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3gxm h LYS 106 Cb 0.58 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.81 3gxm h LYS 106 CO 0.04 0.53 0.01 0.77 -0.57 0.00 0.00 179.45 180.23 3gxm h SER 107 N 0.30 -0.12 0.09 0.86 0.02 -0.63 -2.81 113.55 111.26 3gxm h SER 107 Ca 0.05 0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 60.94 3gxm h SER 107 Cb 0.55 0.13 0.02 0.00 0.14 0.00 0.00 62.40 63.23 3gxm h SER 107 CO 0.04 -0.02 -0.58 1.88 -1.14 0.00 0.00 176.83 177.01 3gxm h TYR 108 N 0.11 0.40 0.00 3.45 0.99 -1.51 0.17 116.97 120.59 3gxm h TYR 108 Ca 0.17 -0.28 -0.13 0.00 2.00 0.00 0.00 58.73 60.49 3gxm h TYR 108 Cb 0.22 -0.02 -0.02 0.00 1.00 0.00 0.00 36.73 37.91 3gxm h TYR 108 CO -0.23 1.21 -2.01 1.19 -0.00 0.00 0.00 178.16 178.32 3gxm n PHE 109 N -4.27 0.00 -2.66 4.88 3.01 -0.02 -0.36 117.46 118.05 3gxm n PHE 109 Ca -0.13 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.11 3gxm n PHE 109 Cb 0.72 -0.61 0.03 0.00 -0.01 0.00 0.00 39.48 39.61 3gxm n PHE 109 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3gxm s SER 110 N -4.59 5.36 0.31 4.37 1.04 -1.07 -3.98 113.70 115.15 3gxm s SER 110 Ca -0.08 0.14 0.25 0.00 0.48 0.00 0.00 55.95 56.73 3gxm s SER 110 Cb 0.10 -1.08 1.08 0.00 0.10 0.00 0.00 66.02 66.22 3gxm s SER 110 CO 0.77 -1.09 1.74 1.05 0.98 0.00 0.00 173.24 176.69 3gxm h GLU 111 N 0.06 0.00 -0.01 4.02 4.11 -1.87 -0.09 114.58 120.81 3gxm h GLU 111 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 3gxm h GLU 111 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3gxm h GLU 111 CO 0.54 0.00 -0.07 -0.85 0.07 0.00 0.00 179.01 178.71 3gxm n GLU 112 N -2.34 1.02 0.00 1.06 0.28 -1.26 -4.72 120.64 114.68 3gxm n GLU 112 Ca 0.01 -0.39 0.00 0.00 -0.16 0.00 0.00 57.16 56.62 3gxm n GLU 112 Cb 0.20 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.58 3gxm n GLU 112 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3gxm n GLY 113 N 1.19 4.73 1.07 -1.84 0.00 -0.06 -0.71 105.19 109.57 3gxm n GLY 113 Ca 0.18 -1.29 0.09 0.00 0.00 0.00 0.00 46.02 44.99 3gxm n GLY 113 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3gxm n ILE 114 N 0.00 1.17 -3.66 -0.61 -5.35 0.61 -4.85 119.36 106.67 3gxm n ILE 114 Ca 0.00 -1.07 -0.24 0.00 -0.27 0.00 0.00 62.75 61.17 3gxm n ILE 114 Cb 0.00 0.42 0.06 0.00 -1.74 0.00 0.00 39.64 38.38 3gxm n ILE 114 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gxm n GLY 115 N 1.01 -0.45 3.65 3.28 0.00 -0.82 -2.41 105.19 109.45 3gxm n GLY 115 Ca 0.19 0.19 -0.44 0.00 0.00 0.00 0.00 46.02 45.96 3gxm n GLY 115 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxm n TYR 116 N -4.62 1.83 -0.74 1.61 0.53 0.52 -4.75 117.16 111.54 3gxm n TYR 116 Ca -0.10 0.60 0.00 0.00 -1.02 0.00 0.00 57.90 57.38 3gxm n TYR 116 Cb 0.60 -2.35 0.00 0.00 -1.03 0.00 0.00 39.34 36.55 3gxm n TYR 116 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11 3gxm n ASN 117 N 1.19 0.40 -4.05 7.72 6.94 -0.28 -4.76 115.26 122.41 3gxm n ASN 117 Ca 0.08 -1.14 -0.23 0.00 -0.02 0.00 0.00 54.58 53.27 3gxm n ASN 117 Cb 0.33 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.60 3gxm n ASN 117 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3gxm s ILE 118 N -0.14 1.04 -0.10 1.53 1.01 -0.97 0.29 121.20 123.86 3gxm s ILE 118 Ca 0.00 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.19 3gxm s ILE 118 Cb 0.00 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.56 3gxm s ILE 118 CO 0.00 0.31 -0.24 -0.63 0.00 0.00 0.00 174.94 174.39 3gxm s ILE 119 N 0.16 2.05 -0.10 2.92 1.01 -0.82 -2.63 121.20 123.80 3gxm s ILE 119 Ca -0.04 -1.01 -0.17 0.00 0.00 0.00 0.00 60.65 59.43 3gxm s ILE 119 Cb -0.10 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 3gxm s ILE 119 CO 0.01 0.56 0.43 -0.60 0.00 0.00 0.00 174.94 175.34 3gxm s ARG 120 N 0.40 4.24 -0.30 2.79 3.52 -0.55 -0.25 118.95 128.80 3gxm s ARG 120 Ca -0.18 0.39 0.02 0.00 -0.13 0.00 0.00 55.73 55.83 3gxm s ARG 120 Cb -0.18 -3.39 0.08 0.00 -1.56 0.00 0.00 34.95 29.91 3gxm s ARG 120 CO 0.08 0.29 0.00 0.08 -0.81 0.00 0.00 175.30 174.94 3gxm s VAL 121 N 0.21 1.90 0.36 7.11 1.01 0.26 -0.46 120.40 130.79 3gxm s VAL 121 Ca 0.24 -1.83 -0.27 0.00 0.00 0.00 0.00 61.98 60.11 3gxm s VAL 121 Cb -0.15 -2.27 -0.12 0.00 0.00 0.00 0.00 36.38 33.83 3gxm s VAL 121 CO 0.10 -0.39 1.20 -2.65 0.00 0.00 0.00 175.10 173.36 3gxm n PRO 122 N 4.46 1.85 -3.05 2.72 -0.01 -1.26 -3.02 135.00 136.69 3gxm n PRO 122 Ca -0.04 0.65 -0.44 0.00 -0.01 0.00 0.00 63.50 63.66 3gxm n PRO 122 Cb 0.42 -2.21 -0.05 0.00 -0.01 0.00 0.00 33.50 31.66 3gxm n PRO 122 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 175.50 173.85 3gxm s MET 123 N -1.89 3.09 2.87 -0.52 -1.94 -0.12 -4.88 119.30 115.90 3gxm s MET 123 Ca 0.58 -1.07 0.00 0.00 -1.71 0.00 0.00 55.69 53.48 3gxm s MET 123 Cb -0.58 -4.21 0.00 0.00 2.01 0.00 0.00 34.83 32.04 3gxm s MET 123 CO 0.60 -1.54 0.00 0.00 -0.01 0.00 0.00 175.02 174.07 3gxm n ALA 124 N 6.67 0.00 -2.03 3.03 0.00 -1.26 -4.11 120.51 122.81 3gxm n ALA 124 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 3gxm n ALA 124 Cb 0.44 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.84 3gxm n ALA 124 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gxm s SER 125 N -4.00 6.69 0.08 0.00 1.04 -1.10 -4.90 113.70 111.50 3gxm s SER 125 Ca 0.00 1.37 0.01 0.00 0.48 0.00 0.00 55.95 57.81 3gxm s SER 125 Cb 0.00 -2.42 -0.00 0.00 0.10 0.00 0.00 66.02 63.70 3gxm s SER 125 CO 0.00 -0.38 0.03 0.00 0.98 0.00 0.00 173.24 173.87 3gxm h ASP 127 N 0.30 0.54 -0.46 0.00 2.03 -1.95 -3.09 116.42 113.79 3gxm h ASP 127 Ca -0.06 0.01 -0.70 0.00 -0.73 0.00 0.00 57.03 55.55 3gxm h ASP 127 Cb 0.23 -0.11 -0.03 0.00 -0.83 0.00 0.00 39.33 38.58 3gxm h ASP 127 CO 0.09 0.34 3.27 0.49 -1.03 0.00 0.00 179.24 182.40 3gxm n PHE 128 N -4.48 2.52 -3.90 4.15 3.01 -1.26 -1.32 117.46 116.18 3gxm n PHE 128 Ca 0.10 -2.99 -0.10 0.00 1.01 0.00 0.00 57.45 55.48 3gxm n PHE 128 Cb 0.29 -2.24 -0.09 0.00 -0.01 0.00 0.00 39.48 37.43 3gxm n PHE 128 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3gxm s SER 129 N 1.48 0.14 0.00 4.37 0.01 -1.17 -2.18 113.70 116.35 3gxm s SER 129 Ca 0.63 -0.52 0.21 0.00 1.31 0.00 0.00 55.95 57.58 3gxm s SER 129 Cb 0.18 0.26 0.55 0.00 0.21 0.00 0.00 66.02 67.22 3gxm s SER 129 CO -0.07 -0.56 1.47 2.30 0.41 0.00 0.00 173.24 176.78 3gxm n ILE 130 N 0.59 0.73 -3.67 1.44 -5.35 -1.26 -3.09 119.36 108.75 3gxm n ILE 130 Ca -0.18 -0.81 -0.08 0.00 -0.27 0.00 0.00 62.75 61.41 3gxm n ILE 130 Cb 0.59 0.59 -0.02 0.00 -1.74 0.00 0.00 39.64 39.06 3gxm n ILE 130 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gxm s ARG 131 N -1.27 1.44 0.08 6.28 1.70 -1.26 -5.00 118.95 120.93 3gxm s ARG 131 Ca 0.42 -0.71 -0.01 0.00 -0.47 0.00 0.00 55.73 54.96 3gxm s ARG 131 Cb 0.23 0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 35.11 3gxm s ARG 131 CO 0.30 -0.65 0.25 0.95 -1.08 0.00 0.00 175.30 175.08 3gxm s THR 132 N -3.68 5.33 0.00 4.99 -4.23 -1.26 -4.84 115.64 111.95 3gxm s THR 132 Ca 0.08 -0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 3gxm s THR 132 Cb -0.03 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.18 3gxm s THR 132 CO -0.01 0.11 0.00 0.00 -0.54 0.00 0.00 174.62 174.18 3gxm n TYR 133 N 0.24 0.00 -4.35 3.99 0.18 -1.26 -5.04 117.16 110.92 3gxm n TYR 133 Ca -0.04 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.57 3gxm n TYR 133 Cb 0.51 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.43 3gxm n TYR 133 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 3gxm n THR 134 N -0.13 0.00 0.93 -3.48 -2.24 -1.26 -2.72 114.28 105.38 3gxm n THR 134 Ca 0.00 -1.52 0.11 0.00 -2.27 0.00 0.00 64.05 60.38 3gxm n THR 134 Cb 0.00 0.49 0.13 0.00 -2.10 0.00 0.00 70.33 68.85 3gxm n THR 134 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3gxm n TYR 135 N -0.63 0.05 -3.21 4.78 0.53 -1.26 -4.45 117.16 112.96 3gxm n TYR 135 Ca -0.06 0.02 -0.24 0.00 -1.02 0.00 0.00 57.90 56.60 3gxm n TYR 135 Cb 0.39 -0.23 -0.06 0.00 -1.03 0.00 0.00 39.34 38.42 3gxm n TYR 135 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3gxm n ALA 136 N -1.56 2.89 0.45 -0.72 0.00 -1.26 -1.41 120.51 118.90 3gxm n ALA 136 Ca 0.05 -3.81 0.12 0.00 0.00 0.00 0.00 53.44 49.80 3gxm n ALA 136 Cb 0.35 -0.85 0.23 0.00 0.00 0.00 0.00 19.45 19.18 3gxm n ALA 136 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3gxm h ASP 137 N 3.73 0.00 -2.81 0.00 3.32 -1.87 -3.43 116.42 115.36 3gxm h ASP 137 Ca 0.11 -0.06 -0.57 0.00 0.02 0.00 0.00 57.03 56.53 3gxm h ASP 137 Cb 0.82 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 3gxm h ASP 137 CO 0.58 0.03 1.11 -0.89 -1.72 0.00 0.00 179.24 178.35 3gxm s THR 138 N -3.18 3.75 0.74 0.35 2.01 -1.26 -4.95 115.64 113.09 3gxm s THR 138 Ca 0.07 0.84 -0.15 0.00 0.31 0.00 0.00 61.69 62.76 3gxm s THR 138 Cb 0.11 -3.76 0.04 0.00 0.01 0.00 0.00 72.50 68.90 3gxm s THR 138 CO 0.68 -0.31 1.23 -2.16 -0.69 0.00 0.00 174.62 173.37 3gxm s PRO 139 N 4.60 2.05 -1.67 4.92 0.04 -1.26 -3.68 135.00 140.00 3gxm s PRO 139 Ca 0.70 1.85 -0.01 0.00 0.04 0.00 0.00 61.00 63.57 3gxm s PRO 139 Cb -0.24 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3gxm s PRO 139 CO 0.28 -1.92 0.17 -0.25 0.04 0.00 0.00 177.00 175.32 3gxm n ASP 140 N -2.71 -5.84 -4.03 6.66 9.92 -1.26 -4.92 116.55 114.35 3gxm n ASP 140 Ca 0.14 -0.09 -0.43 0.00 -0.53 0.00 0.00 54.79 53.88 3gxm n ASP 140 Cb 0.50 -4.80 0.00 0.00 -0.64 0.00 0.00 41.12 36.18 3gxm n ASP 140 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3gxm n ASP 141 N -2.02 6.17 0.23 -2.24 2.03 -1.24 -4.80 116.55 114.68 3gxm n ASP 141 Ca -0.20 -3.36 0.11 0.00 0.52 0.00 0.00 54.79 51.86 3gxm n ASP 141 Cb 0.66 -1.26 0.44 0.00 -0.72 0.00 0.00 41.12 40.25 3gxm n ASP 141 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 3gxm h PHE 142 N 5.58 0.00 -0.02 -0.67 -1.00 -1.92 -1.47 116.94 117.43 3gxm h PHE 142 Ca 0.20 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.98 3gxm h PHE 142 Cb 0.66 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.22 3gxm h PHE 142 CO 0.96 0.19 -0.30 1.04 -1.61 0.00 0.00 178.31 178.59 3gxm n GLN 143 N -3.30 1.33 -3.42 1.51 1.13 -1.26 -4.66 117.38 108.71 3gxm n GLN 143 Ca 0.01 -1.01 -0.18 0.00 -1.94 0.00 0.00 57.00 53.87 3gxm n GLN 143 Cb 0.44 -1.48 0.07 0.00 0.11 0.00 0.00 30.24 29.38 3gxm n GLN 143 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3gxm n LEU 144 N 0.05 -4.44 0.06 1.08 4.77 -0.56 -4.93 117.00 113.02 3gxm n LEU 144 Ca 0.12 -0.73 -0.05 0.00 -0.03 0.00 0.00 56.01 55.31 3gxm n LEU 144 Cb 0.45 -3.01 -0.09 0.00 -2.33 0.00 0.00 43.42 38.43 3gxm n LEU 144 CO 0.25 0.28 0.06 0.45 -1.33 0.00 0.00 177.39 177.09 3gxm h HIS 145 N -1.55 0.00 -0.48 -1.77 3.86 -1.95 -3.30 115.15 109.97 3gxm h HIS 145 Ca -0.61 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.60 3gxm h HIS 145 Cb 1.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.80 3gxm h HIS 145 CO 0.37 0.87 0.00 0.09 0.86 0.00 0.00 177.93 180.12 3gxm n ASN 146 N -3.24 4.63 -4.68 2.45 3.02 -1.26 -4.91 115.26 111.27 3gxm n ASN 146 Ca -0.03 -2.67 -0.42 0.00 -0.03 0.00 0.00 54.58 51.43 3gxm n ASN 146 Cb 0.91 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 39.43 3gxm n ASN 146 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3gxm s PHE 147 N -2.28 2.69 0.08 3.10 5.36 -1.24 -4.67 117.98 121.02 3gxm s PHE 147 Ca 0.43 0.72 -0.15 0.00 -0.96 0.00 0.00 56.93 56.97 3gxm s PHE 147 Cb 0.32 -3.70 0.03 0.00 -0.34 0.00 0.00 43.02 39.33 3gxm s PHE 147 CO 0.14 -2.64 0.36 -1.54 -1.46 0.00 0.00 175.22 170.08 3gxm s SER 148 N 2.16 -0.19 -0.14 6.13 1.04 -0.50 -5.03 113.70 117.17 3gxm s SER 148 Ca 0.65 -0.24 -0.23 0.00 0.48 0.00 0.00 55.95 56.61 3gxm s SER 148 Cb -0.31 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 3gxm s SER 148 CO 0.26 -0.75 0.69 -0.76 0.98 0.00 0.00 173.24 173.66 3gxm s LEU 149 N -2.46 4.23 0.00 2.42 1.43 -1.26 -4.55 118.68 118.48 3gxm s LEU 149 Ca -0.00 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.14 3gxm s LEU 149 Cb 0.01 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.21 3gxm s LEU 149 CO -0.08 -0.22 0.00 -0.81 0.23 0.00 0.00 176.35 175.47 3gxm n PRO 150 N 4.50 -0.28 0.02 1.29 -0.04 -1.26 -4.75 135.00 134.49 3gxm n PRO 150 Ca -0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.47 3gxm n PRO 150 Cb 0.50 0.00 0.36 0.00 -0.04 0.00 0.00 33.50 34.32 3gxm n PRO 150 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3gxm h GLU 151 N 0.00 0.48 -0.94 0.54 4.81 -1.98 -1.78 114.58 115.70 3gxm h GLU 151 Ca 0.00 -0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.24 3gxm h GLU 151 Cb 0.00 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.22 3gxm h GLU 151 CO 0.00 0.45 0.59 0.93 -0.73 0.00 0.00 179.01 180.25 3gxm h GLU 152 N 0.48 1.00 0.19 1.92 3.07 -1.96 0.38 114.58 119.65 3gxm h GLU 152 Ca 0.11 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.90 3gxm h GLU 152 Cb 0.19 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3gxm h GLU 152 CO -0.00 0.66 -0.09 -0.44 -1.40 0.00 0.00 179.01 177.74 3gxm h ASP 153 N 1.03 -0.21 0.39 1.42 3.32 -1.84 -1.89 116.42 118.65 3gxm h ASP 153 Ca 0.43 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.40 3gxm h ASP 153 Cb 0.27 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3gxm h ASP 153 CO -0.20 0.03 -0.41 0.71 -1.72 0.00 0.00 179.24 177.64 3gxm h THR 154 N -0.62 1.30 0.07 0.35 1.35 -1.30 -0.95 112.91 113.12 3gxm h THR 154 Ca -0.03 -1.44 -0.36 0.00 -0.55 0.00 0.00 66.41 64.03 3gxm h THR 154 Cb 0.19 1.76 -0.04 0.00 -1.73 0.00 0.00 68.15 68.34 3gxm h THR 154 CO 0.04 0.41 -2.08 1.17 -0.25 0.00 0.00 175.52 174.81 3gxm n LYS 155 N -4.04 0.72 -0.04 4.72 4.81 0.13 -4.56 118.16 119.90 3gxm n LYS 155 Ca -0.02 0.23 -0.05 0.00 -0.87 0.00 0.00 58.31 57.60 3gxm n LYS 155 Cb 0.45 -1.67 -0.02 0.00 0.02 0.00 0.00 35.03 33.81 3gxm n LYS 155 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3gxm n LEU 156 N -3.33 1.30 0.07 3.14 4.77 -1.09 -4.64 117.00 117.21 3gxm n LEU 156 Ca -0.33 0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 55.75 3gxm n LEU 156 Cb 1.04 -0.58 -0.08 0.00 -2.33 0.00 0.00 43.42 41.48 3gxm n LEU 156 CO 0.40 -0.42 0.44 0.11 -1.33 0.00 0.00 177.39 176.59 3gxm h LYS 157 N -0.57 -0.23 -0.39 3.23 1.57 -1.23 -3.12 116.57 115.84 3gxm h LYS 157 Ca 0.00 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3gxm h LYS 157 Cb 0.57 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 3gxm h LYS 157 CO 0.00 0.19 0.21 0.82 -0.57 0.00 0.00 179.45 180.10 3gxm h ILE 158 N -0.82 1.01 -0.35 1.86 2.04 -1.43 0.13 117.51 119.95 3gxm h ILE 158 Ca -0.02 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 3gxm h ILE 158 Cb 0.52 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3gxm h ILE 158 CO 0.04 0.08 -0.06 -0.65 0.00 0.00 0.00 178.15 177.55 3gxm h PRO 159 N 0.43 0.58 -0.10 2.37 0.11 -1.80 -0.43 132.00 133.15 3gxm h PRO 159 Ca 0.16 -0.15 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 3gxm h PRO 159 Cb 0.04 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 3gxm h PRO 159 CO -0.10 0.65 0.02 -0.07 -0.21 0.00 0.00 178.00 178.29 3gxm h LEU 160 N 0.54 0.16 -0.28 2.35 3.38 -1.39 -1.29 115.31 118.79 3gxm h LEU 160 Ca 0.11 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.86 3gxm h LEU 160 Cb 0.45 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3gxm h LEU 160 CO 0.02 0.37 0.06 0.40 0.09 0.00 0.00 178.44 179.39 3gxm h ILE 161 N -0.05 0.88 -0.38 1.22 2.04 -0.45 0.20 117.51 120.96 3gxm h ILE 161 Ca 0.03 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 65.92 3gxm h ILE 161 Cb 0.28 0.70 -0.09 0.00 -0.74 0.00 0.00 36.82 36.97 3gxm h ILE 161 CO 0.00 0.03 -0.24 0.45 0.00 0.00 0.00 178.15 178.40 3gxm h HIS 162 N 0.17 -0.62 -0.61 1.37 3.86 -1.00 -1.01 115.15 117.30 3gxm h HIS 162 Ca 0.13 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3gxm h HIS 162 Cb 0.13 0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.89 3gxm h HIS 162 CO -0.16 -0.31 0.32 0.00 0.86 0.00 0.00 177.93 178.64 3gxm h ARG 163 N -0.18 0.84 -0.08 2.45 3.08 -0.68 -0.83 114.38 118.99 3gxm h ARG 163 Ca 0.18 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3gxm h ARG 163 Cb 0.46 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3gxm h ARG 163 CO -0.48 0.62 0.04 0.00 -1.07 0.00 0.00 179.97 179.08 3gxm h ALA 164 N 1.51 0.09 0.00 0.04 0.00 0.37 -2.38 119.26 118.90 3gxm h ALA 164 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3gxm h ALA 164 Cb 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3gxm h ALA 164 CO -0.03 -0.43 -0.51 -0.07 0.00 0.00 0.00 179.25 178.20 3gxm h LEU 165 N 0.08 0.00 -0.61 0.00 3.38 -0.85 -1.93 115.31 115.37 3gxm h LEU 165 Ca 0.03 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3gxm h LEU 165 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3gxm h LEU 165 CO -0.02 0.51 0.36 1.56 0.09 0.00 0.00 178.44 180.94 3gxm h GLN 166 N 0.00 0.67 0.00 1.13 4.20 -0.99 -3.05 115.11 117.07 3gxm h GLN 166 Ca -0.01 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 3gxm h GLN 166 Cb 0.92 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 3gxm h GLN 166 CO 0.07 0.44 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.25 3gxm h LEU 167 N 0.69 0.00 -9.19 1.46 3.38 -0.85 -3.44 115.31 107.36 3gxm h LEU 167 Ca 0.26 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.65 3gxm h LEU 167 Cb 0.08 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3gxm h LEU 167 CO -0.13 0.35 0.38 0.00 0.09 0.00 0.00 178.44 179.13 3gxm s ALA 168 N -3.46 3.48 0.04 1.53 0.00 -0.81 -4.28 121.76 118.27 3gxm s ALA 168 Ca 0.01 0.08 -0.16 0.00 0.00 0.00 0.00 51.96 51.89 3gxm s ALA 168 Cb 0.10 -3.23 -0.07 0.00 0.00 0.00 0.00 23.12 19.92 3gxm s ALA 168 CO 0.68 -0.59 1.25 -0.56 0.00 0.00 0.00 175.76 176.54 3gxm h GLN 169 N 7.25 -0.40 -6.95 0.00 3.07 -1.87 -3.44 115.11 112.78 3gxm h GLN 169 Ca -0.31 0.03 -0.55 0.00 0.09 0.00 0.00 58.65 57.91 3gxm h GLN 169 Cb 1.14 0.09 0.12 0.00 0.08 0.00 0.00 27.48 28.91 3gxm h GLN 169 CO 0.83 -0.27 0.70 0.54 0.09 0.00 0.00 178.83 180.73 3gxm n ARG 170 N -3.76 2.35 -1.65 0.06 1.74 -1.26 -5.00 116.66 109.15 3gxm n ARG 170 Ca -0.05 0.83 -0.51 0.00 -0.77 0.00 0.00 57.85 57.35 3gxm n ARG 170 Cb 0.20 -2.62 -0.06 0.00 -1.02 0.00 0.00 32.46 28.97 3gxm n ARG 170 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3gxm n PRO 171 N 0.01 1.52 -3.72 5.56 -0.02 -1.26 -5.01 135.00 132.08 3gxm n PRO 171 Ca 0.04 0.55 -0.36 0.00 -2.02 0.00 0.00 63.50 61.71 3gxm n PRO 171 Cb 0.40 -2.26 -0.07 0.00 -0.02 0.00 0.00 33.50 31.55 3gxm n PRO 171 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gxm s VAL 172 N 1.68 5.39 -0.24 -1.45 1.01 -1.26 -4.80 120.40 120.73 3gxm s VAL 172 Ca 0.87 0.32 -0.11 0.00 0.00 0.00 0.00 61.98 63.06 3gxm s VAL 172 Cb -0.88 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 3gxm s VAL 172 CO 0.49 0.50 0.16 -0.44 0.00 0.00 0.00 175.10 175.82 3gxm s SER 173 N -0.20 6.11 -0.09 3.32 0.01 0.15 -4.96 113.70 118.04 3gxm s SER 173 Ca 0.13 0.11 -0.14 0.00 1.31 0.00 0.00 55.95 57.36 3gxm s SER 173 Cb -0.12 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 63.95 3gxm s SER 173 CO 0.02 0.06 0.35 -0.76 0.41 0.00 0.00 173.24 173.33 3gxm s LEU 174 N 1.09 4.36 -0.11 2.44 1.43 -1.26 -1.93 118.68 124.69 3gxm s LEU 174 Ca 0.08 0.73 0.03 0.00 -1.03 0.00 0.00 54.13 53.94 3gxm s LEU 174 Cb -0.14 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.61 3gxm s LEU 174 CO 0.05 0.20 -0.21 -0.22 0.23 0.00 0.00 176.35 176.40 3gxm s LEU 175 N -0.27 1.99 -0.12 1.79 2.96 0.65 -0.33 118.68 125.35 3gxm s LEU 175 Ca 0.21 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 3gxm s LEU 175 Cb -0.15 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 3gxm s LEU 175 CO 0.09 0.10 -0.09 0.00 -1.32 0.00 0.00 176.35 175.12 3gxm s ALA 176 N 0.65 2.81 -0.08 5.97 0.00 -0.79 0.89 121.76 131.21 3gxm s ALA 176 Ca -0.12 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 50.99 3gxm s ALA 176 Cb -0.16 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.66 3gxm s ALA 176 CO 0.03 0.32 -0.16 -1.12 0.00 0.00 0.00 175.76 174.83 3gxm s SER 177 N 0.06 2.21 0.43 0.00 0.01 -1.17 -0.44 113.70 114.81 3gxm s SER 177 Ca -0.03 -0.38 -0.22 0.00 1.31 0.00 0.00 55.95 56.63 3gxm s SER 177 Cb -0.14 -1.01 -0.10 0.00 0.21 0.00 0.00 66.02 64.98 3gxm s SER 177 CO 0.04 0.08 0.99 -2.16 0.41 0.00 0.00 173.24 172.60 3gxm s PRO 178 N 0.54 4.12 -0.27 12.44 0.04 -1.26 -0.95 135.00 149.66 3gxm s PRO 178 Ca -0.16 1.27 -0.12 0.00 0.04 0.00 0.00 61.00 62.04 3gxm s PRO 178 Cb -0.16 -2.26 -0.12 0.00 0.04 0.00 0.00 34.50 31.99 3gxm s PRO 178 CO 0.05 -0.14 -0.33 0.91 0.04 0.00 0.00 177.00 177.53 3gxm n TRP 179 N -0.55 0.00 -4.07 0.56 8.01 -1.26 -0.25 117.44 119.88 3gxm n TRP 179 Ca 0.07 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.13 3gxm n TRP 179 Cb 0.53 -0.96 -0.11 0.00 -2.01 0.00 0.00 31.31 28.75 3gxm n TRP 179 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 3gxm s THR 180 N -2.49 0.55 0.59 -0.99 -1.32 -1.26 -2.96 115.64 107.77 3gxm s THR 180 Ca -0.37 -1.19 -0.07 0.00 -1.21 0.00 0.00 61.69 58.85 3gxm s THR 180 Cb 0.14 -0.74 -0.00 0.00 -1.51 0.00 0.00 72.50 70.38 3gxm s THR 180 CO 0.48 -0.45 0.92 -0.94 -2.21 0.00 0.00 174.62 172.43 3gxm s SER 181 N -1.77 5.71 0.19 8.08 1.04 -1.26 -4.96 113.70 120.73 3gxm s SER 181 Ca -0.07 0.86 -0.27 0.00 0.48 0.00 0.00 55.95 56.95 3gxm s SER 181 Cb -0.08 -1.87 -0.16 0.00 0.10 0.00 0.00 66.02 64.00 3gxm s SER 181 CO -0.00 -1.02 0.51 -2.65 0.98 0.00 0.00 173.24 171.06 3gxm n PRO 182 N -2.61 0.00 0.21 4.02 -0.02 -1.26 -4.84 135.00 130.50 3gxm n PRO 182 Ca 0.04 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.67 3gxm n PRO 182 Cb 0.57 -0.97 0.50 0.00 -0.02 0.00 0.00 33.50 33.58 3gxm n PRO 182 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3gxm h THR 183 N 1.00 0.00 -0.19 3.45 1.35 -1.89 -2.60 112.91 114.03 3gxm h THR 183 Ca -0.27 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 3gxm h THR 183 Cb 1.38 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 3gxm h THR 183 CO 0.55 0.00 0.00 -2.67 -0.25 0.00 0.00 175.52 173.15 3gxm n TRP 184 N -2.80 0.53 0.10 4.73 4.27 -1.26 -2.18 117.44 120.83 3gxm n TRP 184 Ca 0.02 -0.20 0.02 0.00 -3.89 0.00 0.00 57.50 53.45 3gxm n TRP 184 Cb 0.35 -0.16 -0.02 0.00 -1.36 0.00 0.00 31.31 30.12 3gxm n TRP 184 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3gxm n LEU 185 N 0.17 0.10 -4.85 5.67 4.77 -0.98 -4.91 117.00 116.97 3gxm n LEU 185 Ca 0.08 -0.32 -0.35 0.00 -0.03 0.00 0.00 56.01 55.39 3gxm n LEU 185 Cb 0.44 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 3gxm n LEU 185 CO 0.08 0.03 0.15 -0.54 -1.33 0.00 0.00 177.39 175.78 3gxm s LYS 186 N -1.65 3.88 0.31 3.23 1.02 -0.93 -0.44 119.74 125.16 3gxm s LYS 186 Ca 0.00 0.34 0.08 0.00 0.02 0.00 0.00 55.97 56.42 3gxm s LYS 186 Cb 0.02 -2.99 0.85 0.00 -0.52 0.00 0.00 37.83 35.20 3gxm s LYS 186 CO 0.14 0.53 1.70 1.79 -0.92 0.00 0.00 175.35 178.60 3gxm h THR 187 N 2.91 0.46 -0.15 2.17 1.35 0.37 -2.87 112.91 117.14 3gxm h THR 187 Ca -0.49 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3gxm h THR 187 Cb 1.20 -0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 3gxm h THR 187 CO 0.66 0.08 0.00 -0.46 -0.25 0.00 0.00 175.52 175.55 3gxm n ASN 188 N -4.99 3.11 -3.67 5.36 6.94 -1.26 -4.96 115.26 115.78 3gxm n ASN 188 Ca 0.26 -1.97 -0.27 0.00 -0.02 0.00 0.00 54.58 52.58 3gxm n ASN 188 Cb 0.75 -0.09 -0.03 0.00 -2.36 0.00 0.00 39.78 38.06 3gxm n ASN 188 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gxm n GLY 189 N 1.36 -0.46 3.13 4.83 0.00 -1.08 -4.96 105.19 108.00 3gxm n GLY 189 Ca 0.15 0.08 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 3gxm n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxm s ALA 190 N -2.93 0.94 -0.36 4.61 0.00 -1.26 -4.91 121.76 117.85 3gxm s ALA 190 Ca 0.51 -0.89 0.27 0.00 0.00 0.00 0.00 51.96 51.85 3gxm s ALA 190 Cb -0.28 -0.05 0.87 0.00 0.00 0.00 0.00 23.12 23.65 3gxm s ALA 190 CO 0.63 0.10 1.77 -0.39 0.00 0.00 0.00 175.76 177.87 3gxm h VAL 191 N 4.39 0.00 -2.20 0.00 -1.51 -1.92 -3.46 116.25 111.55 3gxm h VAL 191 Ca -0.39 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.50 3gxm h VAL 191 Cb 1.19 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.89 3gxm h VAL 191 CO 0.41 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 176.29 3gxm n ASN 192 N -2.73 0.74 -0.31 4.19 6.94 -1.26 -2.41 115.26 120.41 3gxm n ASN 192 Ca 0.03 -0.45 0.04 0.00 -0.02 0.00 0.00 54.58 54.18 3gxm n ASN 192 Cb 0.38 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.79 3gxm n ASN 192 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gxm n GLY 193 N 1.86 -1.63 3.65 4.83 0.00 0.95 -4.80 105.19 110.04 3gxm n GLY 193 Ca 0.00 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 3gxm n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gxm s LYS 194 N -1.59 3.97 0.00 1.61 2.20 -1.23 -4.58 119.74 120.13 3gxm s LYS 194 Ca 0.00 2.00 0.00 0.00 -0.36 0.00 0.00 55.97 57.61 3gxm s LYS 194 Cb 0.00 -4.03 0.00 0.00 -1.51 0.00 0.00 37.83 32.29 3gxm s LYS 194 CO 0.00 -1.09 0.00 0.41 -0.36 0.00 0.00 175.35 174.31 3gxm n GLY 195 N 4.44 1.76 0.19 5.54 0.00 -0.81 -4.67 105.19 111.63 3gxm n GLY 195 Ca 0.19 0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 3gxm n GLY 195 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gxm n SER 196 N 0.00 1.81 -4.75 1.61 3.41 -1.26 -0.77 113.62 113.67 3gxm n SER 196 Ca 0.00 -1.11 -0.31 0.00 -0.26 0.00 0.00 58.87 57.19 3gxm n SER 196 Cb 0.00 0.03 0.11 0.00 -0.26 0.00 0.00 64.21 64.08 3gxm n SER 196 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gxm s LEU 197 N 0.00 2.87 0.13 1.04 1.43 -1.26 0.93 118.68 123.82 3gxm s LEU 197 Ca 0.00 1.80 -0.24 0.00 -1.03 0.00 0.00 54.13 54.66 3gxm s LEU 197 Cb 0.00 -4.42 -0.07 0.00 0.03 0.00 0.00 46.19 41.73 3gxm s LEU 197 CO 0.00 -2.24 0.73 -0.54 0.23 0.00 0.00 176.35 174.53 3gxm s LYS 198 N -4.88 4.49 5.01 1.70 1.02 0.41 -4.30 119.74 123.20 3gxm s LYS 198 Ca 0.62 1.06 0.00 0.00 0.02 0.00 0.00 55.97 57.67 3gxm s LYS 198 Cb -0.18 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 3gxm s LYS 198 CO 0.56 0.54 0.00 0.41 -0.92 0.00 0.00 175.35 175.94 3gxm n GLY 199 N 1.75 0.43 2.98 -3.33 0.00 -1.26 -4.61 105.19 101.16 3gxm n GLY 199 Ca -0.06 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 3gxm n GLY 199 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gxm s GLN 200 N 0.00 0.39 0.13 1.61 0.00 -1.26 -5.08 119.66 115.45 3gxm s GLN 200 Ca 0.00 -0.40 -0.35 0.00 -0.00 0.00 0.00 55.36 54.61 3gxm s GLN 200 Cb 0.00 -0.25 -0.16 0.00 0.00 0.00 0.00 33.01 32.60 3gxm s GLN 200 CO 0.00 0.06 1.33 -2.30 0.00 0.00 0.00 175.29 174.38 3gxm n PRO 201 N 2.32 1.34 0.00 9.60 -0.02 -1.26 -0.73 135.00 146.25 3gxm n PRO 201 Ca -0.17 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3gxm n PRO 201 Cb 0.57 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3gxm n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxm n GLY 202 N 2.50 3.01 0.91 -1.23 0.00 -1.26 -5.01 105.19 104.11 3gxm n GLY 202 Ca 0.17 -0.98 -0.07 0.00 0.00 0.00 0.00 46.02 45.13 3gxm n GLY 202 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gxm n ASP 203 N 0.43 -0.91 -0.09 1.61 5.68 0.09 -4.69 116.55 118.66 3gxm n ASP 203 Ca 0.00 -0.79 -0.06 0.00 -0.50 0.00 0.00 54.79 53.43 3gxm n ASP 203 Cb 0.00 -0.25 0.12 0.00 -1.14 0.00 0.00 41.12 39.84 3gxm n ASP 203 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 3gxm h ILE 204 N -1.64 1.26 -0.13 2.12 -2.65 -1.93 -1.91 117.51 112.64 3gxm h ILE 204 Ca -0.10 -1.22 -0.06 0.00 1.03 0.00 0.00 64.86 64.50 3gxm h ILE 204 Cb 0.31 1.10 -0.00 0.00 -2.05 0.00 0.00 36.82 36.18 3gxm h ILE 204 CO 0.07 0.41 -0.16 1.88 0.03 0.00 0.00 178.15 180.39 3gxm h TYR 205 N 0.69 0.40 -0.61 0.16 -1.99 -1.92 -2.04 116.97 111.67 3gxm h TYR 205 Ca 0.11 -0.13 -0.08 0.00 2.00 0.00 0.00 58.73 60.63 3gxm h TYR 205 Cb 0.64 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.26 3gxm h TYR 205 CO 0.03 0.76 0.08 0.45 -0.00 0.00 0.00 178.16 179.48 3gxm h HIS 206 N -0.07 1.09 -0.48 4.88 3.86 -1.80 0.85 115.15 123.48 3gxm h HIS 206 Ca 0.02 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.05 3gxm h HIS 206 Cb 0.71 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 3gxm h HIS 206 CO 0.09 0.94 0.23 1.96 0.86 0.00 0.00 177.93 182.02 3gxm h GLN 207 N 0.93 0.67 0.00 2.45 1.08 -1.38 -1.23 115.11 117.63 3gxm h GLN 207 Ca 0.18 -0.08 -0.14 0.00 -1.45 0.00 0.00 58.65 57.17 3gxm h GLN 207 Cb 0.46 -0.13 0.01 0.00 -0.05 0.00 0.00 27.48 27.77 3gxm h GLN 207 CO 0.02 0.52 -0.55 1.15 -0.95 0.00 0.00 178.83 179.02 3gxm h THR 208 N 0.67 1.45 -0.52 -0.54 2.02 -0.97 -2.40 112.91 112.62 3gxm h THR 208 Ca 0.17 -2.07 0.07 0.00 0.77 0.00 0.00 66.41 65.35 3gxm h THR 208 Cb 0.07 2.64 -0.06 0.00 -1.74 0.00 0.00 68.15 69.06 3gxm h THR 208 CO -0.02 0.60 0.20 -0.25 0.37 0.00 0.00 175.52 176.41 3gxm h TRP 209 N -0.18 0.35 -0.61 3.16 -0.00 -0.67 -0.72 115.95 117.28 3gxm h TRP 209 Ca -0.07 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.83 3gxm h TRP 209 Cb 1.27 -0.08 -0.03 0.00 -0.00 0.00 0.00 29.16 30.32 3gxm h TRP 209 CO 0.15 0.12 0.33 0.00 -0.00 0.00 0.00 178.44 179.04 3gxm h ALA 210 N 1.34 0.78 0.00 2.65 0.00 -1.26 -1.74 119.26 121.04 3gxm h ALA 210 Ca 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3gxm h ALA 210 Cb 0.26 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3gxm h ALA 210 CO -0.25 0.31 -0.10 -0.09 0.00 0.00 0.00 179.25 179.13 3gxm h ARG 211 N 0.83 0.00 -0.59 0.00 2.43 -0.95 -2.17 114.38 113.92 3gxm h ARG 211 Ca 0.21 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 3gxm h ARG 211 Cb 0.06 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 3gxm h ARG 211 CO -0.03 0.10 0.32 -0.92 -1.51 0.00 0.00 179.97 177.92 3gxm h TYR 212 N 0.00 0.82 -0.51 2.20 3.20 -0.20 0.21 116.97 122.69 3gxm h TYR 212 Ca -0.00 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.88 3gxm h TYR 212 Cb 0.28 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3gxm h TYR 212 CO 0.00 0.60 0.34 0.74 -1.64 0.00 0.00 178.16 178.19 3gxm h PHE 213 N 0.80 0.56 0.13 -3.82 -1.00 -1.32 0.45 116.94 112.74 3gxm h PHE 213 Ca 0.21 0.01 -0.27 0.00 2.81 0.00 0.00 57.97 60.73 3gxm h PHE 213 Cb 0.05 -0.19 0.03 0.00 3.61 0.00 0.00 35.95 39.46 3gxm h PHE 213 CO -0.01 0.33 -1.15 0.28 -1.61 0.00 0.00 178.31 176.15 3gxm h VAL 214 N 0.59 1.33 -0.61 -0.55 2.07 -1.26 -2.39 116.25 115.43 3gxm h VAL 214 Ca 0.20 -2.45 -0.01 0.00 0.82 0.00 0.00 66.70 65.26 3gxm h VAL 214 Cb 0.08 2.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 3gxm h VAL 214 CO -0.05 0.74 0.34 0.11 0.02 0.00 0.00 177.57 178.72 3gxm h LYS 215 N 0.14 0.84 -0.05 1.57 1.79 -0.32 0.27 116.57 120.81 3gxm h LYS 215 Ca -0.18 -0.09 0.04 0.00 -2.18 0.00 0.00 60.65 58.23 3gxm h LYS 215 Cb 1.85 -0.17 -0.05 0.00 -1.58 0.00 0.00 32.23 32.28 3gxm h LYS 215 CO 0.22 0.63 -0.24 0.35 -1.08 0.00 0.00 179.45 179.33 3gxm h PHE 216 N 0.82 -0.65 -0.91 -1.35 3.57 -0.09 -0.81 116.94 117.53 3gxm h PHE 216 Ca 0.21 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 3gxm h PHE 216 Cb 0.03 0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 3gxm h PHE 216 CO -0.01 -0.33 0.56 -0.07 -2.23 0.00 0.00 178.31 176.23 3gxm h LEU 217 N -0.35 1.08 -0.19 0.59 3.38 -1.31 -2.02 115.31 116.50 3gxm h LEU 217 Ca 0.08 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3gxm h LEU 217 Cb 0.46 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 3gxm h LEU 217 CO -0.25 0.82 -0.16 0.44 0.09 0.00 0.00 178.44 179.38 3gxm h ASP 218 N 1.25 -0.50 -0.47 -0.43 5.19 -0.22 -1.31 116.42 119.93 3gxm h ASP 218 Ca 0.33 0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.81 3gxm h ASP 218 Cb -0.08 0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 3gxm h ASP 218 CO -0.06 -0.20 0.19 0.00 -3.12 0.00 0.00 179.24 176.05 3gxm h ALA 219 N 0.94 0.61 0.00 3.45 0.00 -0.92 -2.22 119.26 121.12 3gxm h ALA 219 Ca 0.12 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3gxm h ALA 219 Cb 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3gxm h ALA 219 CO -0.29 0.21 -0.22 1.88 0.00 0.00 0.00 179.25 180.83 3gxm h TYR 220 N 0.61 0.00 -0.19 0.00 -1.99 -1.32 -2.92 116.97 111.16 3gxm h TYR 220 Ca 0.16 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.76 3gxm h TYR 220 Cb 0.19 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.91 3gxm h TYR 220 CO 0.00 0.22 -0.43 0.00 -0.00 0.00 0.00 178.16 177.95 3gxm h ALA 221 N 1.78 0.91 0.00 3.88 0.00 -0.66 -0.79 119.26 124.38 3gxm h ALA 221 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3gxm h ALA 221 Cb 0.44 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3gxm h ALA 221 CO 0.03 0.64 -0.05 0.93 0.00 0.00 0.00 179.25 180.79 3gxm h GLU 222 N 0.38 0.00 -0.54 0.00 5.08 -1.23 -0.67 114.58 117.60 3gxm h GLU 222 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3gxm h GLU 222 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3gxm h GLU 222 CO 0.08 0.05 0.00 0.72 -1.00 0.00 0.00 179.01 178.86 3gxm n HIS 223 N -3.65 0.79 -3.57 4.33 8.25 -0.96 -4.92 115.22 115.48 3gxm n HIS 223 Ca -0.02 -0.34 -0.23 0.00 -0.26 0.00 0.00 57.72 56.87 3gxm n HIS 223 Cb 0.16 -0.10 0.08 0.00 1.12 0.00 0.00 29.99 31.25 3gxm n HIS 223 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gxm n LYS 224 N 0.67 -7.76 -4.68 -0.41 4.76 -0.26 -5.03 118.16 105.46 3gxm n LYS 224 Ca 0.15 0.83 -0.23 0.00 -2.87 0.00 0.00 58.31 56.19 3gxm n LYS 224 Cb 0.50 -5.88 -0.15 0.00 -1.84 0.00 0.00 35.03 27.66 3gxm n LYS 224 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3gxm s LEU 225 N -7.15 1.97 0.10 -0.35 1.43 -0.34 -4.99 118.68 109.34 3gxm s LEU 225 Ca 0.49 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 3gxm s LEU 225 Cb -0.21 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 3gxm s LEU 225 CO 0.73 0.16 -0.11 0.00 0.23 0.00 0.00 176.35 177.36 3gxm s GLN 226 N -0.20 0.87 0.08 1.70 0.00 -1.26 -2.69 119.66 118.15 3gxm s GLN 226 Ca 0.03 -1.15 0.04 0.00 -0.00 0.00 0.00 55.36 54.28 3gxm s GLN 226 Cb -0.07 -0.61 -0.04 0.00 0.00 0.00 0.00 33.01 32.29 3gxm s GLN 226 CO 0.00 0.10 0.00 -0.06 0.00 0.00 0.00 175.29 175.34 3gxm s PHE 227 N -2.28 3.01 -0.05 9.60 0.40 -1.26 -4.53 117.98 122.87 3gxm s PHE 227 Ca 0.05 -0.01 -0.23 0.00 -0.60 0.00 0.00 56.93 56.14 3gxm s PHE 227 Cb -0.04 -1.56 -0.26 0.00 0.51 0.00 0.00 43.02 41.67 3gxm s PHE 227 CO 0.01 0.48 0.96 2.35 0.70 0.00 0.00 175.22 179.71 3gxm h TRP 228 N 3.54 0.38 -3.06 0.36 7.01 -1.02 -3.44 115.95 119.73 3gxm h TRP 228 Ca -0.48 -0.24 -0.03 0.00 2.11 0.00 0.00 58.89 60.25 3gxm h TRP 228 Cb 1.17 -0.03 -0.13 0.00 -2.10 0.00 0.00 29.16 28.07 3gxm h TRP 228 CO 0.61 1.11 0.13 0.00 -2.79 0.00 0.00 178.44 177.50 3gxm s ALA 229 N -2.77 -1.42 0.13 2.65 0.00 -1.15 -1.11 121.76 118.10 3gxm s ALA 229 Ca -0.15 0.38 0.07 0.00 0.00 0.00 0.00 51.96 52.26 3gxm s ALA 229 Cb 0.01 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 3gxm s ALA 229 CO 0.78 -0.71 -0.17 0.14 0.00 0.00 0.00 175.76 175.80 3gxm s VAL 230 N -3.62 1.56 0.09 0.00 -7.23 0.10 -1.88 120.40 109.43 3gxm s VAL 230 Ca 0.01 -1.73 -0.03 0.00 -1.81 0.00 0.00 61.98 58.41 3gxm s VAL 230 Cb -0.00 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.27 3gxm s VAL 230 CO -0.11 -0.31 0.29 0.42 -0.31 0.00 0.00 175.10 175.08 3gxm s THR 231 N -1.88 5.27 0.25 5.32 -4.23 0.42 -0.97 115.64 119.83 3gxm s THR 231 Ca 0.10 -0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.45 3gxm s THR 231 Cb -0.06 -3.62 0.16 0.00 1.34 0.00 0.00 72.50 70.31 3gxm s THR 231 CO 0.04 0.12 1.81 0.00 -0.54 0.00 0.00 174.62 176.05 3gxm h ALA 232 N 3.06 1.15 -1.96 3.99 0.00 -1.80 -3.39 119.26 120.30 3gxm h ALA 232 Ca -0.46 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.22 3gxm h ALA 232 Cb 1.17 -0.26 -0.21 0.00 0.00 0.00 0.00 17.79 18.49 3gxm h ALA 232 CO 0.73 0.59 0.17 -2.00 0.00 0.00 0.00 179.25 178.75 3gxm s GLU 233 N -5.35 0.84 -0.03 0.00 2.56 -1.26 -4.86 118.70 110.60 3gxm s GLU 233 Ca -0.11 0.85 -0.30 0.00 0.00 0.00 0.00 54.97 55.41 3gxm s GLU 233 Cb 0.16 0.41 -0.04 0.00 2.00 0.00 0.00 34.13 36.66 3gxm s GLU 233 CO 0.82 -0.13 1.20 1.21 -0.56 0.00 0.00 175.26 177.80 3gxm s ASN 234 N 0.12 7.06 -1.29 -1.70 2.47 0.65 -4.39 114.94 117.85 3gxm s ASN 234 Ca -0.01 1.87 -0.10 0.00 0.42 0.00 0.00 52.86 55.04 3gxm s ASN 234 Cb -0.04 -2.56 -0.00 0.00 -1.45 0.00 0.00 41.25 37.19 3gxm s ASN 234 CO 0.02 -0.56 0.59 -0.62 -3.72 0.00 0.00 177.10 172.81 3gxm n GLU 235 N 4.90 -2.45 0.24 0.43 1.02 0.24 -4.79 120.64 120.23 3gxm n GLU 235 Ca 0.10 0.42 0.11 0.00 -0.02 0.00 0.00 57.16 57.77 3gxm n GLU 235 Cb 0.46 -4.31 0.70 0.00 -0.02 0.00 0.00 31.44 28.27 3gxm n GLU 235 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3gxm h PRO 236 N -1.90 0.00 0.00 3.49 0.13 -1.77 -1.64 132.00 130.31 3gxm h PRO 236 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 3gxm h PRO 236 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 3gxm h PRO 236 CO 0.56 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.99 3gxm h SER 237 N 0.00 0.00 0.75 1.44 4.64 -1.89 -2.86 113.55 115.63 3gxm h SER 237 Ca 0.03 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.15 3gxm h SER 237 Cb 0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 3gxm h SER 237 CO -0.00 0.00 -0.92 0.00 -0.87 0.00 0.00 176.83 175.04 3gxm h ALA 238 N 2.03 0.49 0.00 5.18 0.00 -1.66 -3.10 119.26 122.20 3gxm h ALA 238 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3gxm h ALA 238 Cb 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3gxm h ALA 238 CO 0.00 1.02 0.00 0.41 0.00 0.00 0.00 179.25 180.68 3gxm n GLY 239 N 1.02 -0.40 0.01 0.00 0.00 -1.14 -1.70 105.19 102.99 3gxm n GLY 239 Ca -0.02 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.03 3gxm n GLY 239 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gxm n LEU 240 N -0.72 0.74 -4.66 0.99 4.77 -1.17 -1.92 117.00 115.02 3gxm n LEU 240 Ca 0.04 -0.51 -0.41 0.00 -0.03 0.00 0.00 56.01 55.11 3gxm n LEU 240 Cb 0.02 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 3gxm n LEU 240 CO 0.03 0.18 0.47 -0.76 -1.33 0.00 0.00 177.39 175.99 3gxm s LEU 241 N -2.69 4.13 0.19 2.23 1.43 -0.69 -4.90 118.68 118.39 3gxm s LEU 241 Ca 0.06 0.93 -0.31 0.00 -1.03 0.00 0.00 54.13 53.78 3gxm s LEU 241 Cb 0.11 -3.01 -0.10 0.00 0.03 0.00 0.00 46.19 43.22 3gxm s LEU 241 CO 0.61 -0.35 1.50 -0.94 0.23 0.00 0.00 176.35 177.40 3gxm s SER 242 N 1.24 6.64 -1.52 2.29 1.04 -1.26 -2.31 113.70 119.83 3gxm s SER 242 Ca 0.32 2.59 -0.06 0.00 0.48 0.00 0.00 55.95 59.28 3gxm s SER 242 Cb -0.16 -2.60 0.01 0.00 0.10 0.00 0.00 66.02 63.37 3gxm s SER 242 CO 0.10 -0.76 0.72 0.61 0.98 0.00 0.00 173.24 174.89 3gxm n GLY 243 N 3.17 -0.53 3.72 7.32 0.00 -1.26 -4.85 105.19 112.76 3gxm n GLY 243 Ca 0.11 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 3gxm n GLY 243 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gxm n TYR 244 N -4.59 2.76 0.10 1.61 9.36 -0.98 -4.73 117.16 120.69 3gxm n TYR 244 Ca -0.09 0.04 -0.02 0.00 3.32 0.00 0.00 57.90 61.15 3gxm n TYR 244 Cb 0.61 -2.68 -0.05 0.00 -0.63 0.00 0.00 39.34 36.59 3gxm n TYR 244 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3gxm h PRO 245 N 6.77 0.00 -6.69 2.98 0.13 -1.93 0.27 132.00 133.53 3gxm h PRO 245 Ca -0.43 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.20 3gxm h PRO 245 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 3gxm h PRO 245 CO 0.96 0.75 -0.02 -0.06 -0.23 0.00 0.00 178.00 179.39 3gxm s PHE 246 N -2.83 3.50 -0.03 1.56 2.99 -1.26 -4.82 117.98 117.09 3gxm s PHE 246 Ca 0.02 0.74 -0.40 0.00 0.00 0.00 0.00 56.93 57.30 3gxm s PHE 246 Cb 0.09 -2.21 -0.19 0.00 0.00 0.00 0.00 43.02 40.71 3gxm s PHE 246 CO 0.78 -0.02 1.19 1.04 -0.00 0.00 0.00 175.22 178.22 3gxm n GLN 247 N -1.47 0.28 -3.76 0.44 3.00 -1.26 -4.42 117.38 110.19 3gxm n GLN 247 Ca -0.01 0.10 -0.06 0.00 -0.01 0.00 0.00 57.00 57.03 3gxm n GLN 247 Cb 0.55 -1.64 -0.02 0.00 0.00 0.00 0.00 30.24 29.13 3gxm n GLN 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gxm s LEU 249 N -2.89 -1.57 0.25 0.00 2.96 -1.17 -4.48 118.68 111.78 3gxm s LEU 249 Ca 0.11 0.37 -0.30 0.00 -0.22 0.00 0.00 54.13 54.08 3gxm s LEU 249 Cb -0.03 2.07 -0.11 0.00 0.50 0.00 0.00 46.19 48.62 3gxm s LEU 249 CO 0.03 -0.29 1.51 -0.83 -1.32 0.00 0.00 176.35 175.45 3gxm s GLY 250 N 2.84 2.14 -0.02 7.98 0.00 0.05 -4.61 107.32 115.70 3gxm s GLY 250 Ca 0.13 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.28 3gxm s GLY 250 CO -0.25 2.43 0.01 -1.36 0.00 0.00 0.00 173.10 173.93 3gxm s PHE 251 N 0.14 0.14 0.64 1.90 0.40 -1.09 -4.29 117.98 115.82 3gxm s PHE 251 Ca 0.62 0.05 -0.09 0.00 -0.60 0.00 0.00 56.93 56.91 3gxm s PHE 251 Cb -0.44 -0.25 0.00 0.00 0.51 0.00 0.00 43.02 42.84 3gxm s PHE 251 CO 0.43 -0.08 1.00 0.95 0.70 0.00 0.00 175.22 178.22 3gxm s THR 252 N 0.79 3.79 0.28 0.64 -4.23 -1.26 -4.22 115.64 111.44 3gxm s THR 252 Ca -0.07 0.34 -0.00 0.00 -1.18 0.00 0.00 61.69 60.77 3gxm s THR 252 Cb -0.10 -3.54 0.28 0.00 1.34 0.00 0.00 72.50 70.47 3gxm s THR 252 CO -0.02 -0.65 1.87 -0.65 -0.54 0.00 0.00 174.62 174.63 3gxm h PRO 253 N -0.38 1.05 -0.17 3.99 0.10 -1.99 0.77 132.00 135.37 3gxm h PRO 253 Ca -0.45 -0.06 -0.04 0.00 0.10 0.00 0.00 66.00 65.55 3gxm h PRO 253 Cb 1.24 -0.24 -0.01 0.00 0.10 0.00 0.00 31.00 32.09 3gxm h PRO 253 CO 0.62 0.70 -0.06 0.93 0.10 0.00 0.00 178.00 180.29 3gxm h GLU 254 N 1.08 0.26 0.02 1.05 3.07 -1.93 -0.44 114.58 117.69 3gxm h GLU 254 Ca 0.45 -0.05 -0.21 0.00 -0.50 0.00 0.00 59.36 59.05 3gxm h GLU 254 Cb 0.30 -0.04 0.02 0.00 -0.84 0.00 0.00 28.75 28.18 3gxm h GLU 254 CO -0.20 0.34 -0.84 1.25 -1.40 0.00 0.00 179.01 178.16 3gxm h HIS 255 N 0.25 0.80 -0.28 4.33 2.76 -1.32 -1.91 115.15 119.77 3gxm h HIS 255 Ca 0.06 -0.45 0.03 0.00 -2.20 0.00 0.00 60.37 57.80 3gxm h HIS 255 Cb 0.28 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.12 3gxm h HIS 255 CO 0.00 1.29 0.10 0.37 -1.30 0.00 0.00 177.93 178.39 3gxm h GLN 256 N 0.09 0.22 -0.42 5.26 4.15 -0.74 0.91 115.11 124.58 3gxm h GLN 256 Ca -0.11 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.38 3gxm h GLN 256 Cb 1.54 -0.05 -0.09 0.00 0.21 0.00 0.00 27.48 29.09 3gxm h GLN 256 CO 0.16 0.14 -0.23 -0.09 -1.93 0.00 0.00 178.83 176.89 3gxm h ARG 257 N 0.22 -0.15 -0.38 1.69 2.43 -1.03 0.24 114.38 117.41 3gxm h ARG 257 Ca 0.13 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.15 3gxm h ARG 257 Cb 0.09 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3gxm h ARG 257 CO -0.13 -0.10 -0.37 -0.44 -1.51 0.00 0.00 179.97 177.42 3gxm h ASP 258 N -0.15 0.96 -0.60 -3.80 3.32 -1.07 0.16 116.42 115.24 3gxm h ASP 258 Ca 0.20 -0.43 -0.04 0.00 0.02 0.00 0.00 57.03 56.77 3gxm h ASP 258 Cb 0.47 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 3gxm h ASP 258 CO -0.51 1.22 0.20 0.15 -1.72 0.00 0.00 179.24 178.58 3gxm h PHE 259 N 0.74 0.95 0.14 4.55 3.57 -0.15 0.41 116.94 127.16 3gxm h PHE 259 Ca 0.06 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 3gxm h PHE 259 Cb 0.95 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.42 3gxm h PHE 259 CO 0.06 0.78 -0.07 0.82 -2.23 0.00 0.00 178.31 177.67 3gxm h ILE 260 N 0.85 0.92 0.32 1.41 2.04 -0.44 0.51 117.51 123.12 3gxm h ILE 260 Ca 0.20 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3gxm h ILE 260 Cb 0.27 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3gxm h ILE 260 CO -0.01 0.06 -0.49 0.00 0.00 0.00 0.00 178.15 177.71 3gxm h ALA 261 N 0.53 -1.01 0.14 1.87 0.00 -0.49 0.27 119.26 120.57 3gxm h ALA 261 Ca -0.02 -0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.43 3gxm h ALA 261 Cb 0.25 0.76 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3gxm h ALA 261 CO 0.03 -1.12 -1.56 0.00 0.00 0.00 0.00 179.25 176.60 3gxm h ARG 262 N -0.86 0.31 0.00 0.00 2.47 -0.27 -3.40 114.38 112.62 3gxm h ARG 262 Ca -0.03 -0.52 0.00 0.00 -1.26 0.00 0.00 59.98 58.17 3gxm h ARG 262 Cb 0.80 0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.31 3gxm h ARG 262 CO -0.16 1.19 -0.03 -0.25 0.56 0.00 0.00 179.97 181.28 3gxm n ASP 263 N -3.51 0.42 -0.07 7.04 8.00 -0.31 -4.71 116.55 123.42 3gxm n ASP 263 Ca -0.18 0.06 -0.08 0.00 0.71 0.00 0.00 54.79 55.30 3gxm n ASP 263 Cb 1.05 -0.15 -0.01 0.00 -0.02 0.00 0.00 41.12 41.99 3gxm n ASP 263 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3gxm h LEU 264 N -0.03 0.10 0.46 0.64 5.85 -0.14 -1.21 115.31 120.98 3gxm h LEU 264 Ca 0.00 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3gxm h LEU 264 Cb 0.03 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3gxm h LEU 264 CO 0.00 0.09 -0.32 1.23 -0.34 0.00 0.00 178.44 179.10 3gxm h GLY 265 N 0.21 -1.01 0.49 3.75 0.00 -1.12 -1.86 103.07 103.53 3gxm h GLY 265 Ca 0.12 0.43 0.11 0.00 0.00 0.00 0.00 47.33 47.99 3gxm h GLY 265 CO -0.12 -0.34 0.55 -2.55 0.00 0.00 0.00 176.54 174.09 3gxm h PRO 266 N -0.75 0.87 -0.35 4.80 0.11 -1.71 -0.54 132.00 134.43 3gxm h PRO 266 Ca -0.06 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.94 3gxm h PRO 266 Cb 0.61 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 3gxm h PRO 266 CO 0.03 0.57 -0.02 1.15 -0.21 0.00 0.00 178.00 179.53 3gxm h THR 267 N 0.89 1.26 -0.53 -1.15 2.02 -1.21 -1.43 112.91 112.77 3gxm h THR 267 Ca 0.45 -1.02 -0.12 0.00 0.77 0.00 0.00 66.41 66.49 3gxm h THR 267 Cb 0.43 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3gxm h THR 267 CO -0.26 0.34 -0.13 -0.07 0.37 0.00 0.00 175.52 175.77 3gxm h LEU 268 N 0.44 1.03 -0.89 2.58 3.38 -1.06 -3.06 115.31 117.73 3gxm h LEU 268 Ca 0.10 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3gxm h LEU 268 Cb 0.49 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3gxm h LEU 268 CO 0.02 1.15 0.33 0.00 0.09 0.00 0.00 178.44 180.02 3gxm h ALA 269 N 0.94 1.12 0.00 1.53 0.00 -0.94 -2.75 119.26 119.17 3gxm h ALA 269 Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gxm h ALA 269 Cb 0.70 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3gxm h ALA 269 CO 0.05 0.64 0.00 -1.71 0.00 0.00 0.00 179.25 178.23 3gxm n ASN 270 N -4.29 0.00 -3.52 0.00 5.15 -0.55 -4.71 115.26 107.34 3gxm n ASN 270 Ca 0.07 0.24 -0.11 0.00 -0.60 0.00 0.00 54.58 54.18 3gxm n ASN 270 Cb 0.17 -0.39 0.04 0.00 -0.53 0.00 0.00 39.78 39.07 3gxm n ASN 270 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3gxm n SER 271 N -1.39 1.03 0.00 1.20 3.41 -1.04 -5.00 113.62 111.83 3gxm n SER 271 Ca 0.08 -1.77 0.13 0.00 -0.26 0.00 0.00 58.87 57.04 3gxm n SER 271 Cb 0.21 -0.25 0.37 0.00 -0.26 0.00 0.00 64.21 64.28 3gxm n SER 271 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3gxm n THR 272 N -1.78 0.01 -1.62 6.66 -2.24 -1.26 -3.73 114.28 110.31 3gxm n THR 272 Ca 0.09 -0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.59 3gxm n THR 272 Cb 0.32 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.62 3gxm n THR 272 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3gxm n HIS 273 N -1.51 2.80 0.27 4.78 8.25 -1.26 -4.72 115.22 123.83 3gxm n HIS 273 Ca 0.06 -2.51 0.15 0.00 -0.26 0.00 0.00 57.72 55.16 3gxm n HIS 273 Cb 0.34 -0.88 0.68 0.00 1.12 0.00 0.00 29.99 31.25 3gxm n HIS 273 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3gxm h HIS 274 N 1.93 0.00 -0.00 4.41 -0.00 -1.64 -2.70 115.15 117.14 3gxm h HIS 274 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.84 3gxm h HIS 274 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.69 3gxm h HIS 274 CO 1.16 0.09 0.00 0.09 -0.00 0.00 0.00 177.93 179.27 3gxm n ASN 275 N -3.27 0.07 -4.68 3.10 3.02 -1.26 -4.79 115.26 107.45 3gxm n ASN 275 Ca -0.00 -1.28 -0.42 0.00 -0.03 0.00 0.00 54.58 52.85 3gxm n ASN 275 Cb 0.31 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.44 3gxm n ASN 275 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gxm s VAL 276 N -1.99 4.80 0.52 2.41 1.01 -1.02 -4.95 120.40 121.18 3gxm s VAL 276 Ca 0.35 1.88 -0.19 0.00 0.00 0.00 0.00 61.98 64.03 3gxm s VAL 276 Cb 0.16 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.23 3gxm s VAL 276 CO 0.27 -0.02 1.06 -0.13 0.00 0.00 0.00 175.10 176.28 3gxm s ARG 277 N 2.29 3.61 -0.16 2.72 1.81 -0.26 -4.85 118.95 124.10 3gxm s ARG 277 Ca 0.44 1.36 0.01 0.00 -1.72 0.00 0.00 55.73 55.82 3gxm s ARG 277 Cb -0.17 -2.06 0.02 0.00 -0.45 0.00 0.00 34.95 32.28 3gxm s ARG 277 CO 0.13 -0.59 -0.20 -1.17 -0.68 0.00 0.00 175.30 172.79 3gxm s LEU 278 N -3.79 2.07 0.02 2.53 2.96 -1.26 0.02 118.68 121.23 3gxm s LEU 278 Ca 0.67 -0.61 0.02 0.00 -0.22 0.00 0.00 54.13 53.98 3gxm s LEU 278 Cb -0.17 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 3gxm s LEU 278 CO 0.25 0.02 0.03 -0.76 -1.32 0.00 0.00 176.35 174.58 3gxm s LEU 279 N 1.14 3.66 0.45 -0.68 1.43 -0.14 -0.54 118.68 124.00 3gxm s LEU 279 Ca 0.01 0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 3gxm s LEU 279 Cb -0.14 -2.18 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 3gxm s LEU 279 CO -0.09 0.25 0.38 0.00 0.23 0.00 0.00 176.35 177.13 3gxm s MET 280 N -1.81 2.42 1.47 1.70 0.23 -0.01 -2.39 119.30 120.91 3gxm s MET 280 Ca 0.23 -1.69 0.00 0.00 -1.03 0.00 0.00 55.69 53.20 3gxm s MET 280 Cb -0.12 -2.28 0.00 0.00 -1.53 0.00 0.00 34.83 30.90 3gxm s MET 280 CO 0.14 -0.32 0.00 -0.11 -2.03 0.00 0.00 175.02 172.70 3gxm n LEU 281 N -1.60 0.00 -3.47 0.18 7.94 -1.26 -0.75 117.00 118.04 3gxm n LEU 281 Ca 0.03 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.74 3gxm n LEU 281 Cb 0.63 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.65 3gxm n LEU 281 CO 0.42 0.00 0.04 -0.67 -1.11 0.00 0.00 177.39 176.07 3gxm n ASP 282 N 4.28 -3.08 -2.82 1.96 2.03 0.59 -4.26 116.55 115.26 3gxm n ASP 282 Ca 0.00 -0.71 -0.10 0.00 0.52 0.00 0.00 54.79 54.50 3gxm n ASP 282 Cb 0.00 -4.80 0.02 0.00 -0.72 0.00 0.00 41.12 35.62 3gxm n ASP 282 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3gxm n ASP 283 N -3.11 -2.20 -4.67 1.67 -0.08 -1.14 -0.59 116.55 106.43 3gxm n ASP 283 Ca -0.23 -2.64 -0.38 0.00 -1.51 0.00 0.00 54.79 50.03 3gxm n ASP 283 Cb 0.66 3.70 0.06 0.00 2.34 0.00 0.00 41.12 47.87 3gxm n ASP 283 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gxm n GLN 284 N -0.54 1.03 0.29 -0.67 1.13 -1.26 -1.35 117.38 116.00 3gxm n GLN 284 Ca -0.08 0.40 0.18 0.00 -1.94 0.00 0.00 57.00 55.56 3gxm n GLN 284 Cb 0.60 -2.33 0.76 0.00 0.11 0.00 0.00 30.24 29.38 3gxm n GLN 284 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 3gxm h ARG 285 N 0.57 0.00 0.00 -1.09 0.11 -1.81 -2.91 114.38 109.25 3gxm h ARG 285 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 3gxm h ARG 285 Cb 1.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.43 3gxm h ARG 285 CO 0.52 0.00 0.00 1.37 0.10 0.00 0.00 179.97 181.96 3gxm h LEU 286 N 0.00 0.00 -0.44 0.08 -0.00 -1.90 -2.20 115.31 110.85 3gxm h LEU 286 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3gxm h LEU 286 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 3gxm h LEU 286 CO 0.00 0.00 -0.02 0.18 -0.00 0.00 0.00 178.44 178.60 3gxm n LEU 287 N -2.47 0.71 -4.59 0.17 4.77 -1.10 -4.83 117.00 109.66 3gxm n LEU 287 Ca -0.01 -0.21 -0.29 0.00 -0.03 0.00 0.00 56.01 55.46 3gxm n LEU 287 Cb 0.09 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.06 3gxm n LEU 287 CO 0.14 0.12 -0.41 -0.76 -1.33 0.00 0.00 177.39 175.15 3gxm s LEU 288 N -2.06 3.07 0.00 2.23 1.43 -0.83 -1.30 118.68 121.22 3gxm s LEU 288 Ca 0.41 -0.40 0.20 0.00 -1.03 0.00 0.00 54.13 53.31 3gxm s LEU 288 Cb 0.21 -1.84 0.94 0.00 0.03 0.00 0.00 46.19 45.54 3gxm s LEU 288 CO 0.37 0.17 1.64 -0.81 0.23 0.00 0.00 176.35 177.94 3gxm n PRO 289 N 0.59 0.15 0.11 1.29 -0.04 -1.26 -4.54 135.00 131.29 3gxm n PRO 289 Ca -0.13 0.13 -0.12 0.00 -0.04 0.00 0.00 63.50 63.33 3gxm n PRO 289 Cb 0.53 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 3gxm n PRO 289 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3gxm h HIS 290 N 0.00 -0.64 -0.69 0.54 2.76 -1.92 -1.57 115.15 113.63 3gxm h HIS 290 Ca 0.00 0.01 0.15 0.00 -2.20 0.00 0.00 60.37 58.33 3gxm h HIS 290 Cb 0.26 0.27 -0.11 0.00 1.55 0.00 0.00 27.41 29.39 3gxm h HIS 290 CO 0.00 -0.34 0.12 -1.49 -1.30 0.00 0.00 177.93 174.92 3gxm h TRP 291 N -0.44 0.17 -0.69 5.26 4.06 -1.57 0.00 115.95 122.75 3gxm h TRP 291 Ca 0.03 0.04 -0.06 0.00 2.06 0.00 0.00 58.89 60.97 3gxm h TRP 291 Cb 0.46 0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.63 3gxm h TRP 291 CO -0.23 -0.11 0.21 0.00 -3.56 0.00 0.00 178.44 174.75 3gxm h ALA 292 N 1.59 0.91 -0.89 1.49 0.00 -1.71 -2.50 119.26 118.15 3gxm h ALA 292 Ca 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3gxm h ALA 292 Cb 0.64 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3gxm h ALA 292 CO -0.51 0.59 0.47 0.87 0.00 0.00 0.00 179.25 180.68 3gxm h LYS 293 N 1.02 1.25 0.14 0.00 1.57 -0.24 0.78 116.57 121.09 3gxm h LYS 293 Ca 0.22 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3gxm h LYS 293 Cb 0.31 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3gxm h LYS 293 CO -0.01 0.92 -0.07 0.28 -0.57 0.00 0.00 179.45 180.01 3gxm h VAL 294 N 1.25 1.00 0.07 0.50 2.07 -0.69 -3.13 116.25 117.32 3gxm h VAL 294 Ca 0.31 -0.64 -0.27 0.00 0.82 0.00 0.00 66.70 66.92 3gxm h VAL 294 Cb 0.05 1.40 0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3gxm h VAL 294 CO -0.05 0.15 -1.14 0.58 0.02 0.00 0.00 177.57 177.13 3gxm h VAL 295 N -0.49 1.33 0.00 2.57 2.07 -1.42 -3.37 116.25 116.94 3gxm h VAL 295 Ca -0.02 -2.47 -0.12 0.00 0.82 0.00 0.00 66.70 64.90 3gxm h VAL 295 Cb 0.39 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 3gxm h VAL 295 CO 0.03 0.75 -1.05 -0.07 0.02 0.00 0.00 177.57 177.25 3gxm h LEU 296 N 0.27 0.00 -0.18 2.57 3.38 -0.97 -3.18 115.31 117.20 3gxm h LEU 296 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3gxm h LEU 296 Cb 1.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.56 3gxm h LEU 296 CO 0.21 0.47 0.00 0.35 0.09 0.00 0.00 178.44 179.56 3gxm n THR 297 N -2.97 0.00 -4.00 0.22 -2.24 -1.18 -4.45 114.28 99.65 3gxm n THR 297 Ca -0.05 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.41 3gxm n THR 297 Cb 0.76 -0.10 -0.15 0.00 -2.10 0.00 0.00 70.33 68.75 3gxm n THR 297 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gxm s ASP 298 N -0.87 4.74 0.60 3.42 -1.08 -1.20 -5.00 116.67 117.28 3gxm s ASP 298 Ca 0.00 -1.88 0.30 0.00 -0.52 0.00 0.00 52.55 50.46 3gxm s ASP 298 Cb 0.00 -1.63 1.73 0.00 -1.46 0.00 0.00 42.92 41.55 3gxm s ASP 298 CO 0.00 -0.34 2.11 -0.65 0.52 0.00 0.00 175.17 176.82 3gxm h PRO 299 N 7.72 0.00 -0.32 4.34 0.11 -1.86 0.11 132.00 142.10 3gxm h PRO 299 Ca -0.10 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.88 3gxm h PRO 299 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3gxm h PRO 299 CO 0.52 0.00 -0.32 0.93 -0.21 0.00 0.00 178.00 178.92 3gxm h GLU 300 N 0.00 0.70 0.04 1.05 4.39 -1.94 -2.76 114.58 116.06 3gxm h GLU 300 Ca 0.07 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.45 3gxm h GLU 300 Cb 0.45 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3gxm h GLU 300 CO -0.00 0.92 -0.02 0.00 -1.16 0.00 0.00 179.01 178.75 3gxm h ALA 301 N 1.05 -0.06 -0.25 3.43 0.00 -1.29 -3.41 119.26 118.75 3gxm h ALA 301 Ca 0.07 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3gxm h ALA 301 Cb 0.83 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3gxm h ALA 301 CO 0.07 -0.06 0.18 0.00 0.00 0.00 0.00 179.25 179.44 3gxm h ALA 302 N -0.71 2.22 0.00 0.00 0.00 -0.92 -0.73 119.26 119.11 3gxm h ALA 302 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gxm h ALA 302 Cb 0.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gxm h ALA 302 CO 0.01 -0.31 0.00 0.36 0.00 0.00 0.00 179.25 179.31 3gxm n LYS 303 N -4.44 0.06 -0.00 0.00 2.85 -1.04 -2.59 118.16 113.00 3gxm n LYS 303 Ca 0.03 0.52 0.04 0.00 -1.05 0.00 0.00 58.31 57.85 3gxm n LYS 303 Cb 0.33 -1.69 -0.06 0.00 -0.65 0.00 0.00 35.03 32.97 3gxm n LYS 303 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3gxm n TYR 304 N -1.82 0.00 -3.68 5.58 0.53 -0.29 -4.98 117.16 112.50 3gxm n TYR 304 Ca 0.00 0.00 -0.35 0.00 -1.02 0.00 0.00 57.90 56.53 3gxm n TYR 304 Cb 0.05 -0.04 -0.08 0.00 -1.03 0.00 0.00 39.34 38.24 3gxm n TYR 304 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3gxm s VAL 305 N -2.01 5.38 -0.20 -0.72 1.01 -1.07 -4.49 120.40 118.31 3gxm s VAL 305 Ca 0.02 0.29 0.09 0.00 0.00 0.00 0.00 61.98 62.38 3gxm s VAL 305 Cb 0.07 -3.51 -0.22 0.00 0.00 0.00 0.00 36.38 32.72 3gxm s VAL 305 CO 0.39 0.43 0.05 1.57 0.00 0.00 0.00 175.10 177.54 3gxm n HIS 306 N 3.47 0.24 -4.03 5.22 -0.00 0.30 -4.97 115.22 115.44 3gxm n HIS 306 Ca -0.15 0.07 -0.11 0.00 0.46 0.00 0.00 57.72 57.98 3gxm n HIS 306 Cb 0.52 -1.04 -0.05 0.00 -0.12 0.00 0.00 29.99 29.31 3gxm n HIS 306 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 3gxm s GLY 307 N -5.85 0.95 -0.21 1.57 0.00 -1.17 -3.51 107.32 99.10 3gxm s GLY 307 Ca -0.20 -1.17 -0.01 0.00 0.00 0.00 0.00 44.72 43.34 3gxm s GLY 307 CO 0.74 -0.80 -0.13 -0.42 0.00 0.00 0.00 173.10 172.49 3gxm s ILE 308 N -3.55 2.57 -0.13 0.90 1.01 0.16 -0.83 121.20 121.33 3gxm s ILE 308 Ca 0.26 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 3gxm s ILE 308 Cb -0.00 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 3gxm s ILE 308 CO 0.14 0.42 0.34 0.00 0.00 0.00 0.00 174.94 175.83 3gxm s ALA 309 N 1.34 3.59 0.21 9.38 0.00 0.07 -0.86 121.76 135.49 3gxm s ALA 309 Ca 0.04 -0.38 0.11 0.00 0.00 0.00 0.00 51.96 51.73 3gxm s ALA 309 Cb -0.14 -2.43 -0.05 0.00 0.00 0.00 0.00 23.12 20.51 3gxm s ALA 309 CO -0.08 0.15 -0.22 0.14 0.00 0.00 0.00 175.76 175.74 3gxm s VAL 310 N 0.23 2.28 0.04 0.00 -7.23 -0.40 -0.30 120.40 115.02 3gxm s VAL 310 Ca 0.19 -2.10 0.05 0.00 -1.81 0.00 0.00 61.98 58.32 3gxm s VAL 310 Cb -0.14 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 3gxm s VAL 310 CO 0.06 -0.22 -0.12 -1.00 -0.31 0.00 0.00 175.10 173.51 3gxm s HIS 311 N -1.95 2.72 -0.36 2.82 3.76 -0.46 -0.85 115.29 120.97 3gxm s HIS 311 Ca 0.22 -0.15 -0.00 0.00 -0.15 0.00 0.00 55.06 54.97 3gxm s HIS 311 Cb -0.07 -1.52 0.30 0.00 1.11 0.00 0.00 32.58 32.41 3gxm s HIS 311 CO 0.10 0.33 1.89 0.91 -0.85 0.00 0.00 174.74 177.12 3gxm n TRP 312 N 1.43 1.90 0.00 1.40 8.01 -0.88 -3.74 117.44 125.55 3gxm n TRP 312 Ca -0.15 -1.96 0.00 0.00 -1.31 0.00 0.00 57.50 54.07 3gxm n TRP 312 Cb 0.52 -0.96 0.00 0.00 -2.01 0.00 0.00 31.31 28.86 3gxm n TRP 312 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.69 177.66 3gxm n TYR 313 N -0.09 0.00 -0.67 -5.99 4.19 -1.26 -4.00 117.16 109.35 3gxm n TYR 313 Ca 0.37 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.58 3gxm n TYR 313 Cb 0.76 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.59 3gxm n TYR 313 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 3gxm n LEU 314 N -0.36 0.11 0.08 2.98 4.77 -1.26 -2.48 117.00 120.85 3gxm n LEU 314 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 3gxm n LEU 314 Cb 0.00 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 40.85 3gxm n LEU 314 CO 0.00 -0.06 0.16 0.44 -1.33 0.00 0.00 177.39 176.60 3gxm h ASP 315 N 0.00 0.35 -0.11 -1.43 5.19 -1.83 -3.30 116.42 115.30 3gxm h ASP 315 Ca 0.00 -0.31 0.03 0.00 -0.62 0.00 0.00 57.03 56.13 3gxm h ASP 315 Cb 0.00 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.40 3gxm h ASP 315 CO 0.00 1.15 0.08 2.19 -3.12 0.00 0.00 179.24 179.54 3gxm h PHE 316 N 0.13 0.00 0.00 4.55 -5.15 -1.91 -2.59 116.94 111.97 3gxm h PHE 316 Ca -0.07 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.69 3gxm h PHE 316 Cb 1.65 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.82 3gxm h PHE 316 CO 0.04 0.00 -0.06 -0.07 -2.00 0.00 0.00 178.31 176.22 3gxm h LEU 317 N 0.00 0.00 -7.60 2.10 3.38 -1.99 -3.44 115.31 107.77 3gxm h LEU 317 Ca 0.05 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 3gxm h LEU 317 Cb 0.22 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 40.70 3gxm h LEU 317 CO -0.00 0.06 -0.56 0.00 0.09 0.00 0.00 178.44 178.03 3gxm s ALA 318 N -4.14 -0.32 0.71 1.53 0.00 -0.98 -5.02 121.76 113.54 3gxm s ALA 318 Ca -0.03 0.36 -0.08 0.00 0.00 0.00 0.00 51.96 52.21 3gxm s ALA 318 Cb 0.13 -0.21 0.05 0.00 0.00 0.00 0.00 23.12 23.09 3gxm s ALA 318 CO 0.53 -0.06 1.04 -1.25 0.00 0.00 0.00 175.76 176.02 3gxm s PRO 319 N 0.05 2.34 0.11 0.00 0.04 -1.26 -4.86 135.00 131.42 3gxm s PRO 319 Ca -0.00 -0.04 -0.15 0.00 0.04 0.00 0.00 61.00 60.85 3gxm s PRO 319 Cb -0.01 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 3gxm s PRO 319 CO 0.00 -1.21 1.52 0.00 0.04 0.00 0.00 177.00 177.35 3gxm h ALA 320 N -0.64 0.49 0.09 8.56 0.00 -1.98 -3.21 119.26 122.57 3gxm h ALA 320 Ca -0.45 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3gxm h ALA 320 Cb 1.30 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3gxm h ALA 320 CO 0.62 0.35 -0.07 -0.22 0.00 0.00 0.00 179.25 179.93 3gxm h LYS 321 N 0.49 -0.16 0.00 0.00 3.64 -1.95 0.85 116.57 119.44 3gxm h LYS 321 Ca 0.09 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3gxm h LYS 321 Cb 0.60 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3gxm h LYS 321 CO 0.04 -0.11 0.00 0.00 -2.27 0.00 0.00 179.45 177.11 3gxm h ALA 322 N 0.74 1.00 -0.95 5.00 0.00 -1.95 0.19 119.26 123.29 3gxm h ALA 322 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gxm h ALA 322 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3gxm h ALA 322 CO -0.01 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.49 3gxm n THR 323 N -2.92 0.00 -0.10 0.00 -2.24 -1.10 -4.38 114.28 103.55 3gxm n THR 323 Ca -0.01 0.06 -0.11 0.00 -2.27 0.00 0.00 64.05 61.72 3gxm n THR 323 Cb 0.16 -0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 67.43 3gxm n THR 323 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3gxm h LEU 324 N 0.00 0.46 0.50 3.22 3.38 -1.54 -0.63 115.31 120.70 3gxm h LEU 324 Ca 0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3gxm h LEU 324 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3gxm h LEU 324 CO 0.00 0.60 -0.24 1.23 0.09 0.00 0.00 178.44 180.11 3gxm h GLY 325 N 0.30 -0.71 1.66 0.83 0.00 -0.40 -1.46 103.07 103.29 3gxm h GLY 325 Ca 0.09 0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.62 3gxm h GLY 325 CO 0.01 -0.26 -0.12 -2.09 0.00 0.00 0.00 176.54 174.08 3gxm h GLU 326 N -0.68 0.42 -0.55 4.80 4.57 -0.69 -2.39 114.58 120.06 3gxm h GLU 326 Ca -0.07 -0.11 -0.11 0.00 -1.18 0.00 0.00 59.36 57.89 3gxm h GLU 326 Cb 0.52 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 3gxm h GLU 326 CO 0.11 0.54 -0.08 1.15 -1.18 0.00 0.00 179.01 179.54 3gxm h THR 327 N 0.39 1.27 -0.51 0.32 2.02 -1.01 -2.39 112.91 113.00 3gxm h THR 327 Ca 0.08 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 66.03 3gxm h THR 327 Cb 0.44 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 3gxm h THR 327 CO 0.03 0.44 0.34 -0.74 0.37 0.00 0.00 175.52 175.95 3gxm h HIS 328 N 0.90 0.65 -0.25 3.16 -0.00 -0.84 -0.92 115.15 117.85 3gxm h HIS 328 Ca 0.14 0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.57 3gxm h HIS 328 Cb 0.65 -0.22 -0.04 0.00 -0.00 0.00 0.00 27.41 27.79 3gxm h HIS 328 CO 0.05 0.42 -0.02 -0.09 -0.00 0.00 0.00 177.93 178.28 3gxm h ARG 329 N 0.70 0.05 -0.05 5.26 2.43 -1.34 -0.80 114.38 120.61 3gxm h ARG 329 Ca 0.19 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.20 3gxm h ARG 329 Cb -0.07 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3gxm h ARG 329 CO -0.04 0.03 -0.65 -0.07 -1.51 0.00 0.00 179.97 177.73 3gxm h LEU 330 N 0.05 0.25 -6.02 3.80 3.38 -1.23 -3.35 115.31 112.20 3gxm h LEU 330 Ca 0.12 -0.16 -0.56 0.00 0.09 0.00 0.00 57.88 57.37 3gxm h LEU 330 Cb 0.17 -0.07 -0.39 0.00 0.09 0.00 0.00 40.66 40.45 3gxm h LEU 330 CO -0.22 0.84 -1.06 0.49 0.09 0.00 0.00 178.44 178.57 3gxm n PHE 331 N -3.83 0.04 0.58 1.13 3.01 -0.37 -4.98 117.46 113.04 3gxm n PHE 331 Ca -0.02 -3.62 0.07 0.00 1.01 0.00 0.00 57.45 54.89 3gxm n PHE 331 Cb 0.65 -0.37 0.34 0.00 -0.01 0.00 0.00 39.48 40.09 3gxm n PHE 331 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3gxm n PRO 332 N 1.34 0.07 -0.02 -1.08 -0.04 -0.32 -2.27 135.00 132.67 3gxm n PRO 332 Ca 0.22 0.21 0.06 0.00 -0.04 0.00 0.00 63.50 63.95 3gxm n PRO 332 Cb 0.52 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.54 3gxm n PRO 332 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3gxm n ASN 333 N -1.44 2.09 -4.45 3.54 3.02 -1.26 -4.86 115.26 111.91 3gxm n ASN 333 Ca 0.05 -1.55 -0.37 0.00 -0.03 0.00 0.00 54.58 52.68 3gxm n ASN 333 Cb 0.16 -0.03 -0.12 0.00 -0.61 0.00 0.00 39.78 39.18 3gxm n ASN 333 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3gxm s THR 334 N -0.99 4.43 0.32 3.41 2.01 -0.96 -5.03 115.64 118.83 3gxm s THR 334 Ca 0.15 -0.21 -0.28 0.00 0.31 0.00 0.00 61.69 61.66 3gxm s THR 334 Cb 0.10 -3.12 -0.09 0.00 0.01 0.00 0.00 72.50 69.40 3gxm s THR 334 CO 0.15 0.27 1.12 0.00 -0.69 0.00 0.00 174.62 175.48 3gxm s MET 335 N 1.62 4.43 -0.10 4.92 0.23 -1.23 -4.79 119.30 124.39 3gxm s MET 335 Ca 0.06 1.80 -0.17 0.00 -1.03 0.00 0.00 55.69 56.35 3gxm s MET 335 Cb -0.16 -2.98 -0.05 0.00 -1.53 0.00 0.00 34.83 30.11 3gxm s MET 335 CO 0.05 0.03 0.44 -0.51 -2.03 0.00 0.00 175.02 172.99 3gxm s LEU 336 N -1.85 4.32 -0.03 0.18 1.43 -1.26 0.39 118.68 121.85 3gxm s LEU 336 Ca 0.49 0.81 0.01 0.00 -1.03 0.00 0.00 54.13 54.41 3gxm s LEU 336 Cb -0.31 -2.63 0.02 0.00 0.03 0.00 0.00 46.19 43.31 3gxm s LEU 336 CO 0.40 0.09 -0.00 0.12 0.23 0.00 0.00 176.35 177.18 3gxm s PHE 337 N 0.23 0.33 -0.59 0.29 5.36 -0.04 -1.26 117.98 122.30 3gxm s PHE 337 Ca 0.24 -0.01 -0.28 0.00 -0.96 0.00 0.00 56.93 55.92 3gxm s PHE 337 Cb -0.15 -0.40 0.03 0.00 -0.34 0.00 0.00 43.02 42.15 3gxm s PHE 337 CO 0.10 -0.12 1.25 0.00 -1.46 0.00 0.00 175.22 174.99 3gxm s ALA 338 N 0.92 2.94 -0.13 11.12 0.00 -0.77 -1.28 121.76 134.56 3gxm s ALA 338 Ca -0.09 -0.83 0.18 0.00 0.00 0.00 0.00 51.96 51.22 3gxm s ALA 338 Cb -0.13 -4.07 -0.16 0.00 0.00 0.00 0.00 23.12 18.76 3gxm s ALA 338 CO -0.01 -2.77 0.70 -1.13 0.00 0.00 0.00 175.76 172.55 3gxm n SER 339 N 8.76 0.62 -3.41 0.00 3.41 -0.03 0.15 113.62 123.12 3gxm n SER 339 Ca 0.09 0.27 -0.27 0.00 -0.26 0.00 0.00 58.87 58.69 3gxm n SER 339 Cb 0.49 0.58 -0.10 0.00 -0.26 0.00 0.00 64.21 64.92 3gxm n SER 339 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3gxm s GLU 340 N -3.01 0.92 -1.16 4.33 2.12 -1.16 -4.30 118.70 116.44 3gxm s GLU 340 Ca -0.04 -2.09 -0.15 0.00 0.36 0.00 0.00 54.97 53.04 3gxm s GLU 340 Cb 0.09 -1.46 0.15 0.00 0.26 0.00 0.00 34.13 33.18 3gxm s GLU 340 CO 0.83 -1.38 1.39 0.00 -0.54 0.00 0.00 175.26 175.56 3gxm s ALA 341 N 0.09 3.81 0.20 6.30 0.00 0.45 -2.07 121.76 130.54 3gxm s ALA 341 Ca 0.32 -3.20 -0.09 0.00 0.00 0.00 0.00 51.96 48.99 3gxm s ALA 341 Cb 0.02 -4.15 -0.01 0.00 0.00 0.00 0.00 23.12 18.98 3gxm s ALA 341 CO -0.19 -2.86 0.33 0.00 0.00 0.00 0.00 175.76 173.04 3gxm n VAL 343 N -0.29 0.00 -4.08 0.00 0.31 -1.26 -4.18 118.33 108.82 3gxm n VAL 343 Ca -0.03 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.07 3gxm n VAL 343 Cb 0.63 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.50 3gxm n VAL 343 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3gxm s GLY 344 N 0.00 1.82 -0.18 2.92 0.00 -1.03 -4.68 107.32 106.18 3gxm s GLY 344 Ca 0.00 -1.73 -0.29 0.00 0.00 0.00 0.00 44.72 42.69 3gxm s GLY 344 CO 0.00 -1.69 1.03 -0.45 0.00 0.00 0.00 173.10 171.98 3gxm s SER 345 N -3.84 7.16 0.14 1.64 0.15 -1.26 -4.98 113.70 112.71 3gxm s SER 345 Ca 0.37 1.45 -0.34 0.00 0.70 0.00 0.00 55.95 58.13 3gxm s SER 345 Cb -0.04 -2.55 -0.17 0.00 -1.71 0.00 0.00 66.02 61.56 3gxm s SER 345 CO 0.23 -0.58 1.07 0.29 1.20 0.00 0.00 173.24 175.45 3gxm n LYS 346 N 5.78 0.81 0.20 5.44 4.76 -1.26 -4.78 118.16 129.11 3gxm n LYS 346 Ca 0.11 0.29 0.12 0.00 -2.87 0.00 0.00 58.31 55.96 3gxm n LYS 346 Cb 0.47 -1.73 0.39 0.00 -1.84 0.00 0.00 35.03 32.32 3gxm n LYS 346 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3gxm h PHE 347 N 3.04 0.00 -0.13 2.13 -0.00 -2.00 -0.29 116.94 119.70 3gxm h PHE 347 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.54 3gxm h PHE 347 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.32 3gxm h PHE 347 CO 0.53 0.00 0.00 -2.67 -0.00 0.00 0.00 178.31 176.17 3gxm n TRP 348 N -2.89 0.20 -4.28 6.09 2.14 -1.26 -5.00 117.44 112.45 3gxm n TRP 348 Ca 0.05 -0.57 -0.23 0.00 2.07 0.00 0.00 57.50 58.82 3gxm n TRP 348 Cb 0.89 -0.07 -0.07 0.00 -0.81 0.00 0.00 31.31 31.25 3gxm n TRP 348 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 3gxm s GLU 349 N -1.27 2.27 0.67 -2.67 2.02 -0.12 -5.12 118.70 114.49 3gxm s GLU 349 Ca 0.13 -1.47 -0.15 0.00 0.02 0.00 0.00 54.97 53.50 3gxm s GLU 349 Cb 0.08 -2.13 0.01 0.00 0.10 0.00 0.00 34.13 32.18 3gxm s GLU 349 CO 0.06 0.31 1.13 -0.65 0.02 0.00 0.00 175.26 176.12 3gxm s GLN 350 N -3.70 2.69 0.11 1.61 -0.21 -1.26 -4.82 119.66 114.09 3gxm s GLN 350 Ca 0.33 1.45 -0.24 0.00 0.02 0.00 0.00 55.36 56.92 3gxm s GLN 350 Cb -0.05 -1.93 -0.07 0.00 1.00 0.00 0.00 33.01 31.95 3gxm s GLN 350 CO 0.20 -1.34 1.67 0.77 -2.12 0.00 0.00 175.29 174.47 3gxm h SER 351 N -0.01 -0.44 -3.43 5.90 0.02 -1.85 -3.41 113.55 110.33 3gxm h SER 351 Ca -0.47 0.06 -0.64 0.00 -0.84 0.00 0.00 61.79 59.91 3gxm h SER 351 Cb 1.25 0.18 -0.21 0.00 0.14 0.00 0.00 62.40 63.77 3gxm h SER 351 CO 0.53 -0.21 -0.63 -0.69 -1.14 0.00 0.00 176.83 174.69 3gxm s VAL 352 N -6.13 4.23 -0.27 2.27 1.01 -1.26 -2.19 120.40 118.05 3gxm s VAL 352 Ca -0.15 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3gxm s VAL 352 Cb 0.08 -2.92 0.07 0.00 0.00 0.00 0.00 36.38 33.62 3gxm s VAL 352 CO 0.66 0.43 -0.06 -0.13 0.00 0.00 0.00 175.10 176.00 3gxm s ARG 353 N 0.88 1.89 -0.47 2.72 0.52 -1.26 -5.03 118.95 118.20 3gxm s ARG 353 Ca 0.02 -1.38 -0.28 0.00 -0.52 0.00 0.00 55.73 53.58 3gxm s ARG 353 Cb -0.14 -2.86 -0.01 0.00 0.52 0.00 0.00 34.95 32.46 3gxm s ARG 353 CO 0.02 -0.67 1.68 -0.51 0.02 0.00 0.00 175.30 175.84 3gxm s LEU 354 N 1.14 3.44 0.00 2.53 1.43 -1.26 -2.51 118.68 123.45 3gxm s LEU 354 Ca -0.03 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 3gxm s LEU 354 Cb -0.19 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 42.88 3gxm s LEU 354 CO -0.07 -1.86 0.00 0.61 0.23 0.00 0.00 176.35 175.27 3gxm n GLY 355 N 5.41 1.13 3.56 -3.19 0.00 -1.26 -4.16 105.19 106.68 3gxm n GLY 355 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 3gxm n GLY 355 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gxm s SER 356 N -2.00 4.73 0.14 1.61 0.15 -1.04 -1.20 113.70 116.08 3gxm s SER 356 Ca 0.00 1.10 -0.14 0.00 0.70 0.00 0.00 55.95 57.61 3gxm s SER 356 Cb 0.00 -2.51 0.01 0.00 -1.71 0.00 0.00 66.02 61.82 3gxm s SER 356 CO 0.00 -2.65 1.63 -0.25 1.20 0.00 0.00 173.24 173.17 3gxm h TRP 357 N 18.15 0.82 -0.93 3.44 2.91 -1.91 -3.06 115.95 135.38 3gxm h TRP 357 Ca -0.27 -0.11 0.19 0.00 1.13 0.00 0.00 58.89 59.83 3gxm h TRP 357 Cb 1.25 -0.23 -0.11 0.00 -0.51 0.00 0.00 29.16 29.56 3gxm h TRP 357 CO 0.97 0.76 0.50 0.22 -1.03 0.00 0.00 178.44 179.85 3gxm h ASP 358 N 0.65 0.57 -0.19 2.65 3.58 -1.98 -0.17 116.42 121.52 3gxm h ASP 358 Ca 0.14 0.12 -0.09 0.00 0.42 0.00 0.00 57.03 57.62 3gxm h ASP 358 Cb 0.37 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 3gxm h ASP 358 CO 0.01 0.16 -0.18 0.03 -2.88 0.00 0.00 179.24 176.37 3gxm h ARG 359 N 0.59 0.62 0.47 0.28 3.08 -1.96 -1.67 114.38 115.79 3gxm h ARG 359 Ca 0.55 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.37 3gxm h ARG 359 Cb 0.92 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 3gxm h ARG 359 CO -0.43 0.77 -0.32 0.78 -1.07 0.00 0.00 179.97 179.70 3gxm h GLY 360 N 0.98 -0.82 0.50 0.04 0.00 -0.98 -2.71 103.07 100.08 3gxm h GLY 360 Ca 0.09 0.36 0.16 0.00 0.00 0.00 0.00 47.33 47.93 3gxm h GLY 360 CO 0.04 -0.30 0.57 -0.33 0.00 0.00 0.00 176.54 176.52 3gxm h MET 361 N -0.77 0.56 -0.95 4.80 2.86 -1.08 0.12 114.93 120.48 3gxm h MET 361 Ca -0.05 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3gxm h MET 361 Cb 0.64 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 32.12 3gxm h MET 361 CO 0.03 0.37 0.63 1.96 1.06 0.00 0.00 176.91 180.96 3gxm h GLN 362 N 0.58 1.21 0.60 1.72 4.20 -1.13 -0.34 115.11 121.96 3gxm h GLN 362 Ca 0.44 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 59.05 3gxm h GLN 362 Cb 0.84 -0.27 0.01 0.00 0.30 0.00 0.00 27.48 28.36 3gxm h GLN 362 CO -0.19 0.80 -0.29 1.88 -0.67 0.00 0.00 178.83 180.36 3gxm h TYR 363 N 1.25 -0.75 -0.96 2.96 -1.99 -0.46 -2.29 116.97 114.73 3gxm h TYR 363 Ca 0.36 -0.02 0.06 0.00 2.00 0.00 0.00 58.73 61.13 3gxm h TYR 363 Cb -0.07 0.25 -0.06 0.00 2.00 0.00 0.00 36.73 38.84 3gxm h TYR 363 CO -0.01 -0.47 0.62 0.66 -0.00 0.00 0.00 178.16 178.96 3gxm h SER 364 N -0.98 1.00 -0.99 3.88 4.64 -1.38 -0.81 113.55 118.91 3gxm h SER 364 Ca -0.08 0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.32 3gxm h SER 364 Cb 0.62 -0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 62.43 3gxm h SER 364 CO 0.14 0.65 0.64 -0.74 -0.87 0.00 0.00 176.83 176.64 3gxm h HIS 365 N 1.14 1.16 0.05 4.77 -0.00 -1.13 -0.91 115.15 120.24 3gxm h HIS 365 Ca 0.41 0.03 -0.23 0.00 -0.00 0.00 0.00 60.37 60.57 3gxm h HIS 365 Cb 0.12 -0.38 -0.00 0.00 -0.00 0.00 0.00 27.41 27.15 3gxm h HIS 365 CO -0.01 0.57 -1.05 1.03 -0.00 0.00 0.00 177.93 178.47 3gxm h SER 366 N 1.11 0.35 -0.54 3.26 0.87 -0.59 -1.39 113.55 116.61 3gxm h SER 366 Ca 0.44 -0.33 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 3gxm h SER 366 Cb 0.25 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 3gxm h SER 366 CO -0.19 1.19 0.19 0.40 -0.53 0.00 0.00 176.83 177.89 3gxm h ILE 367 N 0.11 1.23 0.35 2.23 2.04 -1.02 -1.30 117.51 121.14 3gxm h ILE 367 Ca -0.08 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 3gxm h ILE 367 Cb 1.73 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 3gxm h ILE 367 CO 0.17 0.28 -0.29 0.40 0.00 0.00 0.00 178.15 178.71 3gxm h ILE 368 N 0.74 0.40 -0.93 -0.67 2.04 -1.13 -1.44 117.51 116.52 3gxm h ILE 368 Ca 0.18 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.19 3gxm h ILE 368 Cb 0.23 0.40 -0.10 0.00 -0.74 0.00 0.00 36.82 36.62 3gxm h ILE 368 CO -0.01 0.00 0.53 0.74 0.00 0.00 0.00 178.15 179.41 3gxm h THR 369 N -0.64 0.76 0.26 -0.27 2.02 -1.18 -0.53 112.91 113.33 3gxm h THR 369 Ca -0.03 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 3gxm h THR 369 Cb 0.56 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 3gxm h THR 369 CO -0.02 0.14 -0.12 0.78 0.37 0.00 0.00 175.52 176.67 3gxm h ASN 370 N 0.74 -0.29 -0.93 4.18 -0.26 -1.00 -2.35 115.58 115.67 3gxm h ASN 370 Ca 0.51 -0.12 0.21 0.00 -0.56 0.00 0.00 56.30 56.34 3gxm h ASN 370 Cb 0.69 0.08 -0.12 0.00 -1.06 0.00 0.00 38.32 37.91 3gxm h ASN 370 CO -0.35 -0.04 0.48 -0.07 -1.06 0.00 0.00 177.43 176.39 3gxm h LEU 371 N -0.54 0.51 0.00 1.61 3.38 -1.03 -0.57 115.31 118.68 3gxm h LEU 371 Ca -0.04 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3gxm h LEU 371 Cb 0.40 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3gxm h LEU 371 CO 0.06 0.09 0.00 0.18 0.09 0.00 0.00 178.44 178.86 3gxm n LEU 372 N -4.94 0.00 -2.24 1.67 4.77 -0.23 -3.33 117.00 112.71 3gxm n LEU 372 Ca 0.23 0.49 -0.18 0.00 -0.03 0.00 0.00 56.01 56.52 3gxm n LEU 372 Cb 0.64 -0.49 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3gxm n LEU 372 CO 0.16 -0.24 0.13 -1.22 -1.33 0.00 0.00 177.39 174.89 3gxm n TYR 373 N -1.49 2.39 -0.98 -1.77 4.02 -0.28 -5.00 117.16 114.05 3gxm n TYR 373 Ca 0.04 -2.23 0.00 0.00 -0.01 0.00 0.00 57.90 55.70 3gxm n TYR 373 Cb 0.17 -0.31 0.00 0.00 -0.02 0.00 0.00 39.34 39.18 3gxm n TYR 373 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3gxm n HIS 374 N -0.67 0.00 -2.40 -0.72 8.25 -1.08 -4.67 115.22 113.92 3gxm n HIS 374 Ca 0.35 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.39 3gxm n HIS 374 Cb 0.92 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.84 3gxm n HIS 374 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gxm s VAL 375 N -2.76 3.79 -0.53 1.59 1.01 -0.87 -4.44 120.40 118.19 3gxm s VAL 375 Ca 0.00 1.40 0.21 0.00 0.00 0.00 0.00 61.98 63.58 3gxm s VAL 375 Cb 0.00 -3.89 -0.27 0.00 0.00 0.00 0.00 36.38 32.22 3gxm s VAL 375 CO 0.00 0.17 0.68 1.33 0.00 0.00 0.00 175.10 177.28 3gxm n VAL 376 N 3.16 0.00 -3.84 2.92 0.24 -0.39 -4.49 118.33 115.94 3gxm n VAL 376 Ca 0.06 -0.23 -0.07 0.00 -2.04 0.00 0.00 64.34 62.06 3gxm n VAL 376 Cb 0.45 0.54 -0.00 0.00 -1.47 0.00 0.00 33.84 33.37 3gxm n VAL 376 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3gxm s GLY 377 N -3.62 0.06 -0.11 7.63 0.00 -1.26 0.18 107.32 110.20 3gxm s GLY 377 Ca 0.01 -0.43 -0.09 0.00 0.00 0.00 0.00 44.72 44.21 3gxm s GLY 377 CO 0.86 -0.07 0.29 -0.98 0.00 0.00 0.00 173.10 173.19 3gxm s TRP 378 N -3.26 -0.34 -0.17 1.90 0.51 0.15 -1.85 118.94 115.89 3gxm s TRP 378 Ca 0.13 0.81 -0.00 0.00 -2.12 0.00 0.00 56.10 54.92 3gxm s TRP 378 Cb -0.05 0.11 0.04 0.00 -0.81 0.00 0.00 33.47 32.76 3gxm s TRP 378 CO 0.08 -0.19 -0.06 0.99 -0.51 0.00 0.00 176.95 177.26 3gxm s THR 379 N 0.52 1.20 1.06 2.01 2.01 0.12 -1.23 115.64 121.33 3gxm s THR 379 Ca -0.03 -0.69 -0.12 0.00 0.31 0.00 0.00 61.69 61.16 3gxm s THR 379 Cb -0.05 -1.36 0.23 0.00 0.01 0.00 0.00 72.50 71.33 3gxm s THR 379 CO -0.03 0.14 1.08 -0.62 -0.69 0.00 0.00 174.62 174.49 3gxm s ASP 380 N 1.59 1.76 0.00 3.53 2.15 0.77 0.17 116.67 126.64 3gxm s ASP 380 Ca 0.00 1.82 0.00 0.00 0.43 0.00 0.00 52.55 54.81 3gxm s ASP 380 Cb -0.15 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 3gxm s ASP 380 CO -0.08 -3.77 0.00 1.87 -0.17 0.00 0.00 175.17 173.02 3gxm n TRP 381 N -4.65 0.00 -1.58 -5.34 -0.00 -1.25 -2.39 117.44 102.22 3gxm n TRP 381 Ca 0.07 0.00 -0.56 0.00 -0.00 0.00 0.00 57.50 57.01 3gxm n TRP 381 Cb 0.53 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.77 3gxm n TRP 381 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 3gxm n ASN 382 N 0.00 1.14 -0.11 5.87 3.02 -1.26 -1.50 115.26 122.42 3gxm n ASN 382 Ca 0.00 1.13 -0.06 0.00 -0.03 0.00 0.00 54.58 55.62 3gxm n ASN 382 Cb 0.00 -1.08 0.02 0.00 -0.61 0.00 0.00 39.78 38.11 3gxm n ASN 382 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3gxm h LEU 383 N 4.34 0.08 -8.27 3.41 3.38 -1.67 -3.41 115.31 113.16 3gxm h LEU 383 Ca -0.48 0.05 -0.27 0.00 0.09 0.00 0.00 57.88 57.26 3gxm h LEU 383 Cb 1.37 0.05 -0.19 0.00 0.09 0.00 0.00 40.66 41.97 3gxm h LEU 383 CO 0.77 0.08 -0.73 0.00 0.09 0.00 0.00 178.44 178.65 3gxm s ALA 384 N -6.16 0.75 0.11 1.53 0.00 -1.26 -3.68 121.76 113.05 3gxm s ALA 384 Ca -0.13 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 50.88 3gxm s ALA 384 Cb 0.12 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 3gxm s ALA 384 CO 0.71 -0.07 -0.04 -0.51 0.00 0.00 0.00 175.76 175.85 3gxm s LEU 385 N -2.04 2.39 0.82 0.00 1.43 -0.82 -3.86 118.68 116.60 3gxm s LEU 385 Ca -0.03 -1.05 -0.12 0.00 -1.03 0.00 0.00 54.13 51.90 3gxm s LEU 385 Cb -0.05 -0.01 0.09 0.00 0.03 0.00 0.00 46.19 46.24 3gxm s LEU 385 CO -0.01 -0.52 1.19 0.54 0.23 0.00 0.00 176.35 177.79 3gxm s ASN 386 N -3.05 4.37 0.00 2.29 2.20 -0.55 -1.25 114.94 118.94 3gxm s ASN 386 Ca 0.14 0.72 0.10 0.00 -0.94 0.00 0.00 52.86 52.89 3gxm s ASN 386 Cb 0.06 -1.17 0.53 0.00 -2.00 0.00 0.00 41.25 38.67 3gxm s ASN 386 CO -0.03 -1.99 1.19 -2.65 -2.94 0.00 0.00 177.10 170.68 3gxm n PRO 387 N -3.36 0.17 0.00 3.55 -0.02 -1.24 -1.39 135.00 132.71 3gxm n PRO 387 Ca 0.09 0.16 0.12 0.00 -2.02 0.00 0.00 63.50 61.85 3gxm n PRO 387 Cb 0.61 -1.50 0.16 0.00 -0.02 0.00 0.00 33.50 32.75 3gxm n PRO 387 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gxm n GLU 388 N -1.25 0.67 -1.55 -0.52 4.71 -1.26 -4.65 120.64 116.78 3gxm n GLU 388 Ca 0.05 -0.48 0.00 0.00 -0.01 0.00 0.00 57.16 56.72 3gxm n GLU 388 Cb 0.07 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.01 3gxm n GLU 388 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gxm n GLY 389 N 1.42 0.94 0.58 0.62 0.00 -0.49 -4.69 105.19 103.56 3gxm n GLY 389 Ca 0.09 -0.53 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 3gxm n GLY 389 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxm n GLY 390 N -0.63 3.30 3.73 -0.02 0.00 -1.26 -4.35 105.19 105.96 3gxm n GLY 390 Ca 0.00 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 3gxm n GLY 390 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxm s PRO 391 N -2.18 4.29 -0.09 1.61 0.04 -1.26 -1.48 135.00 135.93 3gxm s PRO 391 Ca 0.06 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.33 3gxm s PRO 391 Cb 0.00 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.38 3gxm s PRO 391 CO 0.04 -0.45 -0.13 1.21 0.04 0.00 0.00 177.00 177.70 3gxm s ASN 392 N 0.80 2.11 0.00 6.66 3.84 -1.26 -3.99 114.94 123.10 3gxm s ASN 392 Ca 0.63 -0.36 0.30 0.00 0.21 0.00 0.00 52.86 53.65 3gxm s ASN 392 Cb -0.40 -0.95 1.45 0.00 -0.55 0.00 0.00 41.25 40.80 3gxm s ASN 392 CO 0.35 0.02 2.02 -2.67 -2.79 0.00 0.00 177.10 174.04 3gxm n TRP 393 N 4.03 0.00 0.00 0.43 4.27 -0.43 -4.24 117.44 121.49 3gxm n TRP 393 Ca -0.20 0.00 -0.00 0.00 -3.89 0.00 0.00 57.50 53.40 3gxm n TRP 393 Cb 0.51 -0.34 -0.00 0.00 -1.36 0.00 0.00 31.31 30.12 3gxm n TRP 393 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 3gxm n VAL 394 N -1.34 0.20 -3.67 -1.67 0.31 -1.26 -5.09 118.33 105.81 3gxm n VAL 394 Ca 0.12 0.19 -0.08 0.00 -0.01 0.00 0.00 64.34 64.56 3gxm n VAL 394 Cb 0.27 -1.27 -0.09 0.00 -0.91 0.00 0.00 33.84 31.84 3gxm n VAL 394 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3gxm s ARG 395 N -1.20 0.54 -0.37 5.55 0.52 -1.26 -5.12 118.95 117.62 3gxm s ARG 395 Ca -0.01 1.04 -0.28 0.00 -0.52 0.00 0.00 55.73 55.96 3gxm s ARG 395 Cb 0.00 0.11 -0.03 0.00 0.52 0.00 0.00 34.95 35.55 3gxm s ARG 395 CO 0.02 -0.16 1.98 -0.80 0.02 0.00 0.00 175.30 176.36 3gxm s ASN 396 N 1.65 5.51 -0.01 0.23 -0.87 -1.26 -4.84 114.94 115.35 3gxm s ASN 396 Ca -0.09 1.25 0.01 0.00 -1.57 0.00 0.00 52.86 52.46 3gxm s ASN 396 Cb -0.07 -2.52 -0.01 0.00 -0.02 0.00 0.00 41.25 38.62 3gxm s ASN 396 CO -0.16 -2.02 0.01 0.49 -2.57 0.00 0.00 177.10 172.84 3gxm n PHE 397 N 11.71 0.00 -4.44 2.20 3.72 -1.26 -4.75 117.46 124.65 3gxm n PHE 397 Ca 0.26 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.44 3gxm n PHE 397 Cb 0.48 -0.04 -0.10 0.00 -0.94 0.00 0.00 39.48 38.88 3gxm n PHE 397 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3gxm s VAL 398 N -2.04 1.83 0.65 -4.37 -7.23 -1.26 -4.09 120.40 103.89 3gxm s VAL 398 Ca -0.00 -2.18 -0.04 0.00 -1.81 0.00 0.00 61.98 57.94 3gxm s VAL 398 Cb 0.00 -2.39 0.05 0.00 0.56 0.00 0.00 36.38 34.60 3gxm s VAL 398 CO 0.04 -0.35 0.94 -0.62 -0.31 0.00 0.00 175.10 174.80 3gxm s ASP 399 N -3.45 5.02 -0.00 4.85 -1.08 -0.93 -4.46 116.67 116.62 3gxm s ASP 399 Ca 0.29 0.36 0.01 0.00 -0.52 0.00 0.00 52.55 52.68 3gxm s ASP 399 Cb 0.02 -1.11 -0.00 0.00 -1.46 0.00 0.00 42.92 40.37 3gxm s ASP 399 CO 0.12 -1.42 -0.02 -0.55 0.52 0.00 0.00 175.17 173.82 3gxm s SER 400 N -4.47 0.27 0.53 -0.34 0.15 -1.26 -4.87 113.70 103.70 3gxm s SER 400 Ca 0.59 -0.06 0.33 0.00 0.70 0.00 0.00 55.95 57.51 3gxm s SER 400 Cb -0.11 -0.02 1.49 0.00 -1.71 0.00 0.00 66.02 65.67 3gxm s SER 400 CO 0.43 0.01 1.83 -0.65 1.20 0.00 0.00 173.24 176.06 3gxm h PRO 401 N 6.02 0.03 -5.13 5.44 0.11 -1.80 -3.38 132.00 133.30 3gxm h PRO 401 Ca -0.26 -0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.20 3gxm h PRO 401 Cb 1.20 -0.01 -0.34 0.00 0.11 0.00 0.00 31.00 31.97 3gxm h PRO 401 CO 0.50 0.02 -0.86 0.42 -0.21 0.00 0.00 178.00 177.87 3gxm s ILE 402 N -5.00 1.90 -0.13 4.15 1.01 -1.24 -0.78 121.20 121.11 3gxm s ILE 402 Ca -0.05 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 3gxm s ILE 402 Cb 0.23 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 3gxm s ILE 402 CO 0.79 0.52 -0.10 -0.63 0.00 0.00 0.00 174.94 175.52 3gxm s ILE 403 N 0.65 3.32 -0.17 2.92 -1.09 0.36 -1.95 121.20 125.24 3gxm s ILE 403 Ca -0.12 -0.57 -0.03 0.00 -2.23 0.00 0.00 60.65 57.70 3gxm s ILE 403 Cb -0.16 -2.41 -0.02 0.00 -1.58 0.00 0.00 42.46 38.29 3gxm s ILE 403 CO 0.03 0.52 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.51 3gxm s VAL 404 N 0.30 3.60 -0.47 2.92 1.01 -0.38 0.86 120.40 128.24 3gxm s VAL 404 Ca -0.08 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 3gxm s VAL 404 Cb -0.15 -2.58 0.12 0.00 0.00 0.00 0.00 36.38 33.77 3gxm s VAL 404 CO 0.05 0.48 0.32 -0.62 0.00 0.00 0.00 175.10 175.33 3gxm s ASP 405 N 0.62 5.59 0.41 3.32 2.15 0.61 -3.70 116.67 125.68 3gxm s ASP 405 Ca -0.04 -2.00 0.13 0.00 0.43 0.00 0.00 52.55 51.07 3gxm s ASP 405 Cb -0.15 -1.96 0.87 0.00 -0.30 0.00 0.00 42.92 41.39 3gxm s ASP 405 CO 0.03 -0.64 1.93 0.16 -0.17 0.00 0.00 175.17 176.48 3gxm h ILE 406 N 6.13 1.17 0.00 4.11 3.07 -1.91 -2.67 117.51 127.42 3gxm h ILE 406 Ca -0.18 -0.81 -0.02 0.00 1.55 0.00 0.00 64.86 65.40 3gxm h ILE 406 Cb 1.06 1.38 -0.00 0.00 -0.27 0.00 0.00 36.82 38.99 3gxm h ILE 406 CO 0.81 0.24 -0.09 0.71 -1.05 0.00 0.00 178.15 178.77 3gxm h THR 407 N 0.07 0.73 -0.14 0.16 1.35 -1.93 -3.18 112.91 109.96 3gxm h THR 407 Ca 0.01 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3gxm h THR 407 Cb 0.41 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3gxm h THR 407 CO 0.03 0.09 0.00 0.29 -0.25 0.00 0.00 175.52 175.68 3gxm n LYS 408 N -3.93 2.65 -4.00 4.72 5.02 -1.02 -4.98 118.16 116.61 3gxm n LYS 408 Ca -0.02 -2.05 -0.28 0.00 -2.02 0.00 0.00 58.31 53.94 3gxm n LYS 408 Cb 0.19 -1.29 -0.08 0.00 -0.02 0.00 0.00 35.03 33.82 3gxm n LYS 408 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3gxm n ASP 409 N -0.37 0.30 -4.06 4.39 2.03 -1.19 -4.94 116.55 112.71 3gxm n ASP 409 Ca 0.09 -1.05 -0.14 0.00 0.52 0.00 0.00 54.79 54.22 3gxm n ASP 409 Cb 0.47 -1.31 -0.12 0.00 -0.72 0.00 0.00 41.12 39.44 3gxm n ASP 409 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3gxm s THR 410 N -3.87 0.58 0.10 5.18 -4.23 -1.12 -3.69 115.64 108.60 3gxm s THR 410 Ca 0.15 -1.03 0.07 0.00 -1.18 0.00 0.00 61.69 59.70 3gxm s THR 410 Cb -0.09 -0.63 -0.03 0.00 1.34 0.00 0.00 72.50 73.09 3gxm s THR 410 CO 0.83 -0.32 -0.17 0.72 -0.54 0.00 0.00 174.62 175.13 3gxm s PHE 411 N -1.26 1.52 -0.12 3.99 -0.12 0.02 -0.28 117.98 121.72 3gxm s PHE 411 Ca -0.08 -0.46 0.01 0.00 -0.05 0.00 0.00 56.93 56.35 3gxm s PHE 411 Cb -0.09 -0.83 -0.01 0.00 -0.63 0.00 0.00 43.02 41.46 3gxm s PHE 411 CO 0.01 0.15 -0.16 0.71 -0.05 0.00 0.00 175.22 175.87 3gxm s TYR 412 N -1.39 2.74 -0.33 3.49 1.51 0.25 -1.55 117.35 122.07 3gxm s TYR 412 Ca 0.04 -0.79 -0.12 0.00 -1.01 0.00 0.00 57.07 55.19 3gxm s TYR 412 Cb -0.09 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.93 3gxm s TYR 412 CO 0.03 -0.29 0.23 0.15 -1.11 0.00 0.00 175.55 174.56 3gxm s LYS 413 N 0.39 3.58 0.57 -0.62 1.02 -0.69 -0.49 119.74 123.49 3gxm s LYS 413 Ca -0.13 -0.58 -0.09 0.00 0.02 0.00 0.00 55.97 55.19 3gxm s LYS 413 Cb -0.16 -3.77 -0.04 0.00 -0.52 0.00 0.00 37.83 33.34 3gxm s LYS 413 CO 0.06 -0.39 0.94 -0.65 -0.92 0.00 0.00 175.35 174.39 3gxm s GLN 414 N 1.73 3.55 0.25 1.68 -1.52 0.04 -1.61 119.66 123.77 3gxm s GLN 414 Ca 0.06 0.52 -0.06 0.00 -1.95 0.00 0.00 55.36 53.94 3gxm s GLN 414 Cb -0.17 -2.19 0.46 0.00 -0.22 0.00 0.00 33.01 30.89 3gxm s GLN 414 CO 0.10 -0.45 1.64 -1.35 -0.25 0.00 0.00 175.29 174.99 3gxm h PRO 415 N -0.12 0.13 -0.84 2.91 0.11 -1.79 -1.54 132.00 130.85 3gxm h PRO 415 Ca -0.45 -0.01 0.28 0.00 0.11 0.00 0.00 66.00 65.93 3gxm h PRO 415 Cb 1.20 -0.03 -0.15 0.00 0.11 0.00 0.00 31.00 32.12 3gxm h PRO 415 CO 0.62 0.08 0.18 -1.33 -0.21 0.00 0.00 178.00 177.35 3gxm n MET 416 N -5.31 -0.06 -0.17 1.05 2.81 -1.26 -1.02 117.12 113.16 3gxm n MET 416 Ca 0.14 1.22 -0.08 0.00 -1.81 0.00 0.00 57.70 57.17 3gxm n MET 416 Cb 0.49 -2.04 0.01 0.00 -0.71 0.00 0.00 33.22 30.97 3gxm n MET 416 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 3gxm h PHE 417 N 0.00 0.72 -0.05 2.03 3.57 -1.49 -1.24 116.94 120.47 3gxm h PHE 417 Ca 0.59 -0.04 -0.21 0.00 3.53 0.00 0.00 57.97 61.83 3gxm h PHE 417 Cb 1.37 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.90 3gxm h PHE 417 CO -0.27 0.58 -0.84 1.88 -2.23 0.00 0.00 178.31 177.43 3gxm h TYR 418 N 0.64 0.68 -0.98 0.41 -1.99 -1.20 -2.28 116.97 112.25 3gxm h TYR 418 Ca 0.17 -0.33 0.05 0.00 2.00 0.00 0.00 58.73 60.61 3gxm h TYR 418 Cb 0.15 -0.09 -0.06 0.00 2.00 0.00 0.00 36.73 38.73 3gxm h TYR 418 CO -0.00 1.13 0.64 0.45 -0.00 0.00 0.00 178.16 180.38 3gxm h HIS 419 N 0.30 1.19 -0.45 4.88 3.86 -0.99 -0.43 115.15 123.51 3gxm h HIS 419 Ca -0.06 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.12 3gxm h HIS 419 Cb 1.46 -0.40 -0.02 0.00 1.06 0.00 0.00 27.41 29.51 3gxm h HIS 419 CO 0.06 0.66 0.04 -0.07 0.86 0.00 0.00 177.93 179.48 3gxm h LEU 420 N 1.21 0.75 -1.42 2.43 3.38 -1.24 -3.16 115.31 117.25 3gxm h LEU 420 Ca 0.40 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3gxm h LEU 420 Cb 0.07 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3gxm h LEU 420 CO -0.14 0.84 -0.16 1.23 0.09 0.00 0.00 178.44 180.31 3gxm h GLY 421 N 0.62 0.00 2.00 0.83 0.00 -0.78 0.52 103.07 106.27 3gxm h GLY 421 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 3gxm h GLY 421 CO 0.02 0.00 -0.01 0.45 0.00 0.00 0.00 176.54 176.99 3gxm h HIS 422 N 0.00 0.00 0.00 5.60 3.86 -1.06 -2.15 115.15 121.40 3gxm h HIS 422 Ca -0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.02 3gxm h HIS 422 Cb 0.59 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.03 3gxm h HIS 422 CO 0.00 0.01 -1.53 1.19 0.86 0.00 0.00 177.93 178.46 3gxm n PHE 423 N -3.23 0.00 0.19 2.45 3.01 -0.77 -4.56 117.46 114.55 3gxm n PHE 423 Ca -0.02 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.47 3gxm n PHE 423 Cb 0.12 -0.62 0.41 0.00 -0.01 0.00 0.00 39.48 39.38 3gxm n PHE 423 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3gxm h SER 424 N -0.85 0.02 0.39 4.37 4.64 -0.93 -0.37 113.55 120.82 3gxm h SER 424 Ca -0.28 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 60.92 3gxm h SER 424 Cb 1.16 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 3gxm h SER 424 CO -0.17 0.30 -0.51 0.50 -0.87 0.00 0.00 176.83 176.09 3gxm h LYS 425 N 0.02 0.14 -0.03 4.77 3.64 -1.03 -3.35 116.57 120.74 3gxm h LYS 425 Ca 0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3gxm h LYS 425 Cb 0.51 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3gxm h LYS 425 CO 0.04 0.62 0.00 1.19 -2.27 0.00 0.00 179.45 179.03 3gxm n PHE 426 N -3.94 0.03 -3.78 1.91 3.01 -0.80 -4.77 117.46 109.12 3gxm n PHE 426 Ca -0.02 -0.25 -0.29 0.00 1.01 0.00 0.00 57.45 57.90 3gxm n PHE 426 Cb 0.54 -0.02 -0.10 0.00 -0.01 0.00 0.00 39.48 39.88 3gxm n PHE 426 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3gxm n ILE 427 N -0.13 2.03 -1.06 4.37 5.41 -0.22 -4.94 119.36 124.82 3gxm n ILE 427 Ca 0.01 -4.98 -0.33 0.00 1.00 0.00 0.00 62.75 58.46 3gxm n ILE 427 Cb 0.16 -2.21 0.13 0.00 -0.71 0.00 0.00 39.64 37.01 3gxm n ILE 427 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3gxm s PRO 428 N -1.62 1.58 0.22 0.38 0.04 -1.26 -4.87 135.00 129.47 3gxm s PRO 428 Ca 0.28 1.66 -0.32 0.00 0.04 0.00 0.00 61.00 62.66 3gxm s PRO 428 Cb -0.02 -1.78 -0.14 0.00 0.04 0.00 0.00 34.50 32.60 3gxm s PRO 428 CO -0.14 -2.23 1.33 -1.91 0.04 0.00 0.00 177.00 174.08 3gxm n GLU 429 N -3.48 1.76 -0.03 4.56 2.13 -1.26 -2.02 120.64 122.29 3gxm n GLU 429 Ca 0.13 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.57 3gxm n GLU 429 Cb 0.51 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 29.99 3gxm n GLU 429 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gxm n GLY 430 N 2.10 1.23 3.67 8.31 0.00 0.65 -4.86 105.19 116.30 3gxm n GLY 430 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 3gxm n GLY 430 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gxm n SER 431 N 0.00 2.42 -4.42 1.61 7.64 -0.86 -4.41 113.62 115.60 3gxm n SER 431 Ca 0.00 1.19 -0.33 0.00 1.01 0.00 0.00 58.87 60.75 3gxm n SER 431 Cb 0.00 -1.43 -0.14 0.00 -1.01 0.00 0.00 64.21 61.63 3gxm n SER 431 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3gxm s GLN 432 N -1.62 2.85 0.28 1.43 0.74 0.13 -0.26 119.66 123.21 3gxm s GLN 432 Ca 0.58 -0.71 -0.29 0.00 0.05 0.00 0.00 55.36 54.98 3gxm s GLN 432 Cb -0.61 -2.46 -0.09 0.00 1.10 0.00 0.00 33.01 30.94 3gxm s GLN 432 CO 0.60 0.44 1.15 0.50 -0.55 0.00 0.00 175.29 177.43 3gxm s ARG 433 N -0.26 4.57 0.29 1.67 3.52 0.06 0.88 118.95 129.67 3gxm s ARG 433 Ca 0.01 1.89 0.03 0.00 -0.13 0.00 0.00 55.73 57.54 3gxm s ARG 433 Cb -0.13 -3.17 -0.06 0.00 -1.56 0.00 0.00 34.95 30.03 3gxm s ARG 433 CO 0.03 0.10 0.05 0.14 -0.81 0.00 0.00 175.30 174.81 3gxm s VAL 434 N -1.01 1.00 0.32 7.11 -7.23 -0.92 0.51 120.40 120.19 3gxm s VAL 434 Ca 0.46 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.33 3gxm s VAL 434 Cb -0.33 -2.65 -0.11 0.00 0.56 0.00 0.00 36.38 33.85 3gxm s VAL 434 CO 0.43 -0.08 1.53 -0.83 -0.31 0.00 0.00 175.10 175.84 3gxm s GLY 435 N -3.40 2.47 -0.21 2.32 0.00 -0.38 -4.37 107.32 103.74 3gxm s GLY 435 Ca 0.35 1.55 -0.04 0.00 0.00 0.00 0.00 44.72 46.58 3gxm s GLY 435 CO 0.13 2.40 0.20 -2.27 0.00 0.00 0.00 173.10 173.56 3gxm s LEU 436 N -1.13 0.02 -0.16 0.66 2.96 -1.26 0.29 118.68 120.06 3gxm s LEU 436 Ca 0.59 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.99 3gxm s LEU 436 Cb -0.47 0.21 -0.03 0.00 0.50 0.00 0.00 46.19 46.40 3gxm s LEU 436 CO 0.53 -0.35 0.02 -0.69 -1.32 0.00 0.00 176.35 174.54 3gxm s VAL 437 N 2.27 4.38 -0.01 1.68 1.01 -0.12 -4.86 120.40 124.74 3gxm s VAL 437 Ca 0.06 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 3gxm s VAL 437 Cb -0.16 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 3gxm s VAL 437 CO -0.16 0.49 0.34 0.00 0.00 0.00 0.00 175.10 175.78 3gxm s ALA 438 N 0.20 3.75 -0.58 5.51 0.00 -1.26 -1.13 121.76 128.25 3gxm s ALA 438 Ca 0.01 -0.35 0.24 0.00 0.00 0.00 0.00 51.96 51.86 3gxm s ALA 438 Cb -0.13 -2.26 0.40 0.00 0.00 0.00 0.00 23.12 21.13 3gxm s ALA 438 CO 0.02 0.54 1.42 0.66 0.00 0.00 0.00 175.76 178.39 3gxm h SER 439 N 4.56 0.00 -5.02 0.00 4.64 -1.81 -3.47 113.55 112.45 3gxm h SER 439 Ca -0.52 -0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 60.65 3gxm h SER 439 Cb 1.22 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.16 3gxm h SER 439 CO 0.62 0.05 0.11 0.00 -0.87 0.00 0.00 176.83 176.74 3gxm s GLN 440 N -3.19 1.14 0.44 4.77 -2.07 -1.26 -5.01 119.66 114.47 3gxm s GLN 440 Ca 0.06 -0.32 -0.24 0.00 -1.82 0.00 0.00 55.36 53.04 3gxm s GLN 440 Cb 0.12 0.52 -0.09 0.00 -1.09 0.00 0.00 33.01 32.46 3gxm s GLN 440 CO 0.70 -0.44 1.12 1.17 -1.32 0.00 0.00 175.29 176.52 3gxm n LYS 441 N 0.09 1.55 -3.87 9.60 4.81 -1.26 -4.97 118.16 124.10 3gxm n LYS 441 Ca -0.18 0.56 -0.10 0.00 -0.87 0.00 0.00 58.31 57.72 3gxm n LYS 441 Cb 0.62 -2.21 0.01 0.00 0.02 0.00 0.00 35.03 33.47 3gxm n LYS 441 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3gxm s ASN 442 N -0.71 0.16 0.00 3.14 2.20 -1.26 -5.04 114.94 113.42 3gxm s ASN 442 Ca 0.64 -1.16 0.10 0.00 -0.94 0.00 0.00 52.86 51.49 3gxm s ASN 442 Cb -0.52 0.80 0.07 0.00 -2.00 0.00 0.00 41.25 39.60 3gxm s ASN 442 CO 0.56 -1.57 0.79 0.47 -2.94 0.00 0.00 177.10 174.40 3gxm n ASP 443 N -1.31 1.75 -4.80 3.54 8.00 -1.26 -5.01 116.55 117.46 3gxm n ASP 443 Ca -0.06 -1.37 -0.34 0.00 0.71 0.00 0.00 54.79 53.73 3gxm n ASP 443 Cb 0.60 0.04 -0.04 0.00 -0.02 0.00 0.00 41.12 41.70 3gxm n ASP 443 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gxm s LEU 444 N -0.87 3.83 -0.22 0.64 1.43 -1.26 -4.65 118.68 117.59 3gxm s LEU 444 Ca 0.11 1.86 -0.08 0.00 -1.03 0.00 0.00 54.13 54.99 3gxm s LEU 444 Cb 0.08 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.71 3gxm s LEU 444 CO 0.13 -0.72 0.08 -1.81 0.23 0.00 0.00 176.35 174.27 3gxm s ASP 445 N -2.13 5.56 -0.02 2.29 1.01 -0.22 -4.96 116.67 118.19 3gxm s ASP 445 Ca 0.66 -0.01 -0.05 0.00 0.71 0.00 0.00 52.55 53.86 3gxm s ASP 445 Cb -0.15 -1.98 0.00 0.00 1.01 0.00 0.00 42.92 41.81 3gxm s ASP 445 CO 0.20 0.08 0.11 0.00 0.21 0.00 0.00 175.17 175.78 3gxm s ALA 446 N 0.92 -0.27 -0.06 5.23 0.00 -1.26 0.22 121.76 126.54 3gxm s ALA 446 Ca 0.04 0.07 -0.13 0.00 0.00 0.00 0.00 51.96 51.94 3gxm s ALA 446 Cb -0.14 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 22.96 3gxm s ALA 446 CO 0.03 -0.13 0.31 0.54 0.00 0.00 0.00 175.76 176.51 3gxm s VAL 447 N -0.66 0.04 0.10 0.00 0.11 -1.06 -5.03 120.40 113.90 3gxm s VAL 447 Ca -0.07 -0.29 0.10 0.00 -2.93 0.00 0.00 61.98 58.78 3gxm s VAL 447 Cb -0.04 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 3gxm s VAL 447 CO 0.01 -0.16 -0.24 0.00 -3.33 0.00 0.00 175.10 171.37 3gxm s ALA 448 N -0.72 2.12 0.06 1.54 0.00 -1.26 -2.08 121.76 121.42 3gxm s ALA 448 Ca -0.08 -1.34 -0.08 0.00 0.00 0.00 0.00 51.96 50.46 3gxm s ALA 448 Cb -0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 3gxm s ALA 448 CO 0.03 0.47 0.17 -0.51 0.00 0.00 0.00 175.76 175.92 3gxm s LEU 449 N -1.84 1.48 -0.19 0.00 1.02 0.21 -2.17 118.68 117.20 3gxm s LEU 449 Ca 0.11 -0.52 -0.04 0.00 0.02 0.00 0.00 54.13 53.70 3gxm s LEU 449 Cb -0.10 0.92 -0.02 0.00 0.02 0.00 0.00 46.19 47.01 3gxm s LEU 449 CO 0.05 -0.62 -0.03 -0.32 0.02 0.00 0.00 176.35 175.45 3gxm s MET 450 N -3.11 3.54 0.96 1.70 1.75 0.25 -1.88 119.30 122.51 3gxm s MET 450 Ca -0.01 -0.56 -0.11 0.00 -1.25 0.00 0.00 55.69 53.76 3gxm s MET 450 Cb 0.02 -2.99 0.15 0.00 2.84 0.00 0.00 34.83 34.84 3gxm s MET 450 CO -0.07 0.01 1.00 0.72 -0.65 0.00 0.00 175.02 176.03 3gxm n HIS 451 N 4.21 0.20 -0.00 4.11 8.25 -0.31 -0.70 115.22 130.98 3gxm n HIS 451 Ca -0.18 0.30 0.22 0.00 -0.26 0.00 0.00 57.72 57.81 3gxm n HIS 451 Cb 0.52 -1.92 0.72 0.00 1.12 0.00 0.00 29.99 30.43 3gxm n HIS 451 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3gxm h PRO 452 N -1.96 0.00 -0.16 -0.41 0.11 -1.89 -1.27 132.00 126.42 3gxm h PRO 452 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gxm h PRO 452 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3gxm h PRO 452 CO 0.41 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.80 3gxm n ASP 453 N -4.12 1.41 0.00 -2.05 5.68 -1.26 -4.91 116.55 111.30 3gxm n ASP 453 Ca 0.11 -1.72 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 3gxm n ASP 453 Cb 0.68 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 3gxm n ASP 453 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gxm n GLY 454 N 1.05 0.68 3.92 6.12 0.00 -0.48 -5.03 105.19 111.46 3gxm n GLY 454 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3gxm n GLY 454 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gxm s SER 455 N -2.20 5.87 -0.10 1.61 1.04 -1.26 -4.51 113.70 114.16 3gxm s SER 455 Ca 0.00 0.76 -0.04 0.00 0.48 0.00 0.00 55.95 57.15 3gxm s SER 455 Cb 0.00 -1.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.19 3gxm s SER 455 CO 0.00 -0.84 0.06 0.00 0.98 0.00 0.00 173.24 173.44 3gxm s ALA 456 N -2.86 3.55 -0.06 5.32 0.00 0.35 -1.17 121.76 126.90 3gxm s ALA 456 Ca 0.51 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.75 3gxm s ALA 456 Cb -0.10 -1.69 0.02 0.00 0.00 0.00 0.00 23.12 21.34 3gxm s ALA 456 CO 0.44 0.61 -0.10 0.54 0.00 0.00 0.00 175.76 177.25 3gxm s VAL 457 N -0.96 0.96 -0.08 0.00 0.11 -0.79 -1.55 120.40 118.10 3gxm s VAL 457 Ca 0.14 -0.38 0.02 0.00 -2.93 0.00 0.00 61.98 58.84 3gxm s VAL 457 Cb -0.12 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 33.85 3gxm s VAL 457 CO 0.04 0.32 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.29 3gxm s VAL 458 N 0.74 1.30 -0.19 2.04 1.01 -0.18 -0.61 120.40 124.50 3gxm s VAL 458 Ca -0.14 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 3gxm s VAL 458 Cb -0.15 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3gxm s VAL 458 CO 0.03 0.39 0.08 -0.69 0.00 0.00 0.00 175.10 174.92 3gxm s VAL 459 N 0.71 4.96 -0.21 2.92 1.01 -0.88 0.47 120.40 129.38 3gxm s VAL 459 Ca -0.13 0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.89 3gxm s VAL 459 Cb -0.16 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 33.01 3gxm s VAL 459 CO 0.03 0.45 -0.16 -0.69 0.00 0.00 0.00 175.10 174.73 3gxm s VAL 460 N 0.44 2.05 -0.18 2.92 1.01 -0.06 -2.57 120.40 124.01 3gxm s VAL 460 Ca 0.05 -1.16 -0.08 0.00 0.00 0.00 0.00 61.98 60.79 3gxm s VAL 460 Cb -0.12 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 3gxm s VAL 460 CO -0.00 0.33 0.10 -0.22 0.00 0.00 0.00 175.10 175.31 3gxm s LEU 461 N 1.24 4.05 -0.39 3.92 2.96 0.13 -0.91 118.68 129.69 3gxm s LEU 461 Ca 0.00 0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 54.08 3gxm s LEU 461 Cb -0.15 -2.03 0.10 0.00 0.50 0.00 0.00 46.19 44.61 3gxm s LEU 461 CO -0.10 0.21 0.17 0.21 -1.32 0.00 0.00 176.35 175.52 3gxm s ASN 462 N 0.17 5.18 0.00 3.68 3.84 -0.27 -1.06 114.94 126.48 3gxm s ASN 462 Ca 0.07 -1.94 0.27 0.00 0.21 0.00 0.00 52.86 51.47 3gxm s ASN 462 Cb -0.12 -1.80 0.86 0.00 -0.55 0.00 0.00 41.25 39.64 3gxm s ASN 462 CO -0.00 -0.50 1.64 0.54 -2.79 0.00 0.00 177.10 175.98 3gxm n ARG 463 N 4.58 0.63 -2.30 0.43 1.74 -1.26 -1.80 116.66 118.68 3gxm n ARG 463 Ca -0.03 -0.33 -0.25 0.00 -0.77 0.00 0.00 57.85 56.47 3gxm n ARG 463 Cb 0.42 -1.49 0.09 0.00 -1.02 0.00 0.00 32.46 30.45 3gxm n ARG 463 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gxm s SER 464 N -2.59 4.58 0.09 0.55 1.04 -1.26 -4.69 113.70 111.42 3gxm s SER 464 Ca 0.23 0.22 0.25 0.00 0.48 0.00 0.00 55.95 57.13 3gxm s SER 464 Cb 0.19 -0.77 0.60 0.00 0.10 0.00 0.00 66.02 66.14 3gxm s SER 464 CO 0.54 -1.73 1.52 -1.54 0.98 0.00 0.00 173.24 173.01 3gxm n SER 465 N -2.93 0.57 -4.77 7.02 3.41 -1.26 -0.42 113.62 115.24 3gxm n SER 465 Ca 0.10 0.18 -0.35 0.00 -0.26 0.00 0.00 58.87 58.54 3gxm n SER 465 Cb 0.60 -0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 64.38 3gxm n SER 465 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gxm s LYS 466 N -3.09 3.16 0.21 4.33 1.02 -1.26 -4.29 119.74 119.82 3gxm s LYS 466 Ca 0.09 -0.31 -0.30 0.00 0.02 0.00 0.00 55.97 55.47 3gxm s LYS 466 Cb 0.15 -2.95 -0.10 0.00 -0.52 0.00 0.00 37.83 34.42 3gxm s LYS 466 CO 0.66 0.73 1.43 -0.51 -0.92 0.00 0.00 175.35 176.74 3gxm s ASP 467 N -1.03 6.70 -0.25 2.83 1.11 -1.26 -3.65 116.67 121.13 3gxm s ASP 467 Ca 0.15 2.58 -0.01 0.00 0.18 0.00 0.00 52.55 55.45 3gxm s ASP 467 Cb -0.12 -2.61 0.03 0.00 1.07 0.00 0.00 42.92 41.29 3gxm s ASP 467 CO 0.04 -0.68 -0.07 -0.69 1.18 0.00 0.00 175.17 174.94 3gxm s VAL 468 N 0.29 2.73 0.29 -1.27 1.01 0.14 -4.92 120.40 118.66 3gxm s VAL 468 Ca 0.61 -1.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 3gxm s VAL 468 Cb -0.41 -2.40 -0.11 0.00 0.00 0.00 0.00 36.38 33.46 3gxm s VAL 468 CO 0.39 0.18 1.48 -2.84 0.00 0.00 0.00 175.10 174.31 3gxm s PRO 469 N 1.29 4.21 -0.10 2.72 0.02 -1.26 -0.05 135.00 141.83 3gxm s PRO 469 Ca -0.01 2.41 -0.07 0.00 0.02 0.00 0.00 61.00 63.36 3gxm s PRO 469 Cb -0.17 -3.06 0.04 0.00 0.02 0.00 0.00 34.50 31.33 3gxm s PRO 469 CO -0.05 -0.47 0.25 -1.17 -0.33 0.00 0.00 177.00 175.23 3gxm s LEU 470 N -0.84 0.66 0.01 -5.54 2.96 -0.04 -4.03 118.68 111.87 3gxm s LEU 470 Ca 0.58 0.52 0.05 0.00 -0.22 0.00 0.00 54.13 55.06 3gxm s LEU 470 Cb -0.44 0.79 -0.03 0.00 0.50 0.00 0.00 46.19 47.01 3gxm s LEU 470 CO 0.49 -0.13 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.36 3gxm s THR 471 N 0.81 3.11 -0.17 3.68 2.01 -0.48 -0.35 115.64 124.25 3gxm s THR 471 Ca -0.06 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 60.99 3gxm s THR 471 Cb -0.07 -2.30 0.01 0.00 0.01 0.00 0.00 72.50 70.15 3gxm s THR 471 CO -0.05 0.41 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.48 3gxm s ILE 472 N -0.91 2.33 -0.18 1.82 1.01 -0.54 0.02 121.20 124.76 3gxm s ILE 472 Ca 0.15 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.84 3gxm s ILE 472 Cb -0.11 -1.98 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 3gxm s ILE 472 CO 0.05 0.52 0.14 -0.75 0.00 0.00 0.00 174.94 174.91 3gxm s LYS 473 N 1.10 4.00 -0.33 2.79 2.20 0.14 -1.26 119.74 128.38 3gxm s LYS 473 Ca 0.00 -0.17 -0.05 0.00 -0.36 0.00 0.00 55.97 55.39 3gxm s LYS 473 Cb -0.14 -3.36 0.04 0.00 -1.51 0.00 0.00 37.83 32.86 3gxm s LYS 473 CO -0.07 0.42 0.08 0.34 -0.36 0.00 0.00 175.35 175.76 3gxm s ASP 474 N -0.01 5.19 0.44 1.43 -1.08 -0.50 -0.51 116.67 121.64 3gxm s ASP 474 Ca 0.10 -1.19 0.32 0.00 -0.52 0.00 0.00 52.55 51.26 3gxm s ASP 474 Cb -0.11 -1.82 1.49 0.00 -1.46 0.00 0.00 42.92 41.01 3gxm s ASP 474 CO 0.00 -0.31 1.59 -0.65 0.52 0.00 0.00 175.17 176.32 3gxm h PRO 475 N 8.15 0.02 0.00 4.34 0.11 -1.84 0.29 132.00 143.07 3gxm h PRO 475 Ca -0.22 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.86 3gxm h PRO 475 Cb 1.08 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3gxm h PRO 475 CO 0.58 0.01 -0.31 0.00 -0.21 0.00 0.00 178.00 178.08 3gxm h ALA 476 N 1.61 0.85 0.00 -0.75 0.00 -1.95 -3.41 119.26 115.61 3gxm h ALA 476 Ca 0.87 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.66 3gxm h ALA 476 Cb 2.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.58 3gxm h ALA 476 CO -0.46 0.17 -0.64 0.28 0.00 0.00 0.00 179.25 178.59 3gxm n VAL 477 N -3.06 0.00 0.00 0.00 0.31 -0.08 -5.01 118.33 110.49 3gxm n VAL 477 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3gxm n VAL 477 Cb 0.59 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 3gxm n VAL 477 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gxm n GLY 478 N 2.71 0.47 3.37 2.92 0.00 0.84 -4.73 105.19 110.77 3gxm n GLY 478 Ca 0.00 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 3gxm n GLY 478 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxm s PHE 479 N -2.50 2.90 -0.46 1.61 0.40 0.12 -1.41 117.98 118.65 3gxm s PHE 479 Ca 0.00 -0.69 -0.14 0.00 -0.60 0.00 0.00 56.93 55.50 3gxm s PHE 479 Cb 0.00 -1.95 0.07 0.00 0.51 0.00 0.00 43.02 41.65 3gxm s PHE 479 CO 0.00 -0.30 0.36 -1.17 0.70 0.00 0.00 175.22 174.81 3gxm s LEU 480 N 0.74 5.49 -0.12 -0.37 0.20 -0.39 -0.14 118.68 124.08 3gxm s LEU 480 Ca -0.04 -1.38 -0.24 0.00 0.69 0.00 0.00 54.13 53.16 3gxm s LEU 480 Cb -0.15 -2.12 -0.03 0.00 -0.43 0.00 0.00 46.19 43.46 3gxm s LEU 480 CO 0.02 -0.62 0.75 -1.61 -0.29 0.00 0.00 176.35 174.61 3gxm s GLU 481 N 1.58 4.36 0.38 1.98 0.41 -1.26 -1.47 118.70 124.67 3gxm s GLU 481 Ca 0.04 0.92 -0.07 0.00 -0.41 0.00 0.00 54.97 55.44 3gxm s GLU 481 Cb -0.24 -3.51 0.03 0.00 -1.78 0.00 0.00 34.13 28.62 3gxm s GLU 481 CO 0.05 -0.13 0.62 -0.08 -0.49 0.00 0.00 175.26 175.23 3gxm s THR 482 N 1.47 0.00 -0.03 3.63 -1.32 0.53 -5.02 115.64 114.90 3gxm s THR 482 Ca 0.37 -1.34 0.01 0.00 -1.21 0.00 0.00 61.69 59.51 3gxm s THR 482 Cb -0.17 -2.81 0.03 0.00 -1.51 0.00 0.00 72.50 68.03 3gxm s THR 482 CO 0.15 0.00 -0.01 -0.63 -2.21 0.00 0.00 174.62 171.92 3gxm s ILE 483 N -2.57 0.27 -0.54 5.08 1.01 -1.26 -0.86 121.20 122.33 3gxm s ILE 483 Ca 0.25 0.03 -0.20 0.00 0.00 0.00 0.00 60.65 60.73 3gxm s ILE 483 Cb -0.03 -0.35 0.07 0.00 0.01 0.00 0.00 42.46 42.16 3gxm s ILE 483 CO 0.18 0.17 0.72 -0.55 0.00 0.00 0.00 174.94 175.45 3gxm s SER 484 N 1.00 6.23 0.84 3.58 0.15 0.93 -4.95 113.70 121.48 3gxm s SER 484 Ca -0.10 -0.94 -0.12 0.00 0.70 0.00 0.00 55.95 55.50 3gxm s SER 484 Cb -0.14 -2.33 0.10 0.00 -1.71 0.00 0.00 66.02 61.95 3gxm s SER 484 CO -0.01 -1.04 1.17 -2.84 1.20 0.00 0.00 173.24 171.72 3gxm s PRO 485 N 2.97 1.46 0.44 5.44 0.02 -1.26 0.24 135.00 144.31 3gxm s PRO 485 Ca 0.17 1.62 -0.25 0.00 0.02 0.00 0.00 61.00 62.56 3gxm s PRO 485 Cb -0.19 -1.77 -0.08 0.00 0.02 0.00 0.00 34.50 32.48 3gxm s PRO 485 CO 0.12 -2.32 1.35 0.20 -0.33 0.00 0.00 177.00 176.02 3gxm s GLY 486 N -2.48 2.91 -1.17 0.52 0.00 -1.24 -3.27 107.32 102.59 3gxm s GLY 486 Ca 0.69 1.32 -0.10 0.00 0.00 0.00 0.00 44.72 46.63 3gxm s GLY 486 CO 0.54 1.90 0.79 -1.72 0.00 0.00 0.00 173.10 174.60 3gxm n TYR 487 N -0.17 -2.04 -4.10 1.90 4.02 0.44 -4.77 117.16 112.44 3gxm n TYR 487 Ca 0.05 0.67 -0.09 0.00 -0.01 0.00 0.00 57.90 58.52 3gxm n TYR 487 Cb 0.43 -3.91 -0.10 0.00 -0.02 0.00 0.00 39.34 35.74 3gxm n TYR 487 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3gxm s SER 488 N -3.75 0.73 -0.04 7.72 1.04 -1.07 -1.54 113.70 116.79 3gxm s SER 488 Ca 0.31 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 55.88 3gxm s SER 488 Cb -0.09 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.18 3gxm s SER 488 CO 0.82 -0.47 -0.06 -0.51 0.98 0.00 0.00 173.24 174.00 3gxm s ILE 489 N -3.19 0.63 -0.07 -1.02 2.07 -0.40 -1.11 121.20 118.11 3gxm s ILE 489 Ca 0.04 -0.19 0.02 0.00 -1.41 0.00 0.00 60.65 59.10 3gxm s ILE 489 Cb 0.03 -0.63 -0.03 0.00 0.13 0.00 0.00 42.46 41.96 3gxm s ILE 489 CO -0.06 0.24 -0.10 -1.00 -1.91 0.00 0.00 174.94 172.11 3gxm s HIS 490 N 0.79 2.84 -0.19 3.50 3.76 -0.09 -1.97 115.29 123.93 3gxm s HIS 490 Ca -0.12 -0.10 -0.02 0.00 -0.15 0.00 0.00 55.06 54.67 3gxm s HIS 490 Cb -0.14 -1.70 -0.01 0.00 1.11 0.00 0.00 32.58 31.84 3gxm s HIS 490 CO 0.01 0.23 -0.08 0.99 -0.85 0.00 0.00 174.74 175.03 3gxm s THR 491 N -0.66 3.17 -0.12 1.30 2.01 0.67 -0.88 115.64 121.12 3gxm s THR 491 Ca 0.10 -0.58 -0.07 0.00 0.31 0.00 0.00 61.69 61.45 3gxm s THR 491 Cb -0.11 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 3gxm s THR 491 CO 0.01 0.47 0.12 -0.31 -0.69 0.00 0.00 174.62 174.22 3gxm s TYR 492 N 1.07 3.53 -0.02 4.92 1.51 0.18 -1.45 117.35 127.07 3gxm s TYR 492 Ca 0.00 0.47 0.01 0.00 -1.01 0.00 0.00 57.07 56.54 3gxm s TYR 492 Cb -0.15 -1.94 0.02 0.00 -0.11 0.00 0.00 41.96 39.78 3gxm s TYR 492 CO -0.01 0.66 -0.01 -0.51 -1.11 0.00 0.00 175.55 174.57 3gxm s LEU 493 N -0.88 1.40 -0.09 -1.29 1.02 0.49 -1.01 118.68 118.32 3gxm s LEU 493 Ca 0.14 -0.05 -0.21 0.00 0.02 0.00 0.00 54.13 54.03 3gxm s LEU 493 Cb -0.12 -0.24 0.05 0.00 0.02 0.00 0.00 46.19 45.90 3gxm s LEU 493 CO 0.03 -0.06 0.49 -1.66 0.02 0.00 0.00 176.35 175.18 3gxm s TRP 494 N 0.73 -0.46 0.48 0.29 -2.14 -0.59 -0.92 118.94 116.32 3gxm s TRP 494 Ca -0.08 0.92 -0.22 0.00 2.66 0.00 0.00 56.10 59.38 3gxm s TRP 494 Cb -0.11 0.23 -0.07 0.00 -3.10 0.00 0.00 33.47 30.42 3gxm s TRP 494 CO -0.01 -0.42 1.17 -1.01 -2.66 0.00 0.00 176.95 174.02 3gxm s HIS 495 N -0.74 2.81 -0.53 1.66 3.76 -1.26 -0.49 115.29 120.50 3gxm s HIS 495 Ca -0.08 1.53 0.12 0.00 -0.15 0.00 0.00 55.06 56.48 3gxm s HIS 495 Cb -0.03 -3.38 -0.14 0.00 1.11 0.00 0.00 32.58 30.14 3gxm s HIS 495 CO 0.05 -1.58 0.50 0.54 -0.85 0.00 0.00 174.74 173.39 3gxm n ARG 496 N -0.65 2.83 0.00 1.40 1.74 -1.26 -4.63 116.66 116.09 3gxm n ARG 496 Ca 0.08 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 3gxm n ARG 496 Cb 0.48 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 3gxm n ARG 496 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15