#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 2.03 0.64 0.00 1.81 -1.17 -4.97 118.95 117.29 3gxm s ARG 2 Ca 0.00 -0.51 -0.15 0.00 -1.72 0.00 0.00 55.73 53.35 3gxm s ARG 2 Cb 0.00 -1.69 -0.01 0.00 -0.45 0.00 0.00 34.95 32.80 3gxm s ARG 2 CO 0.00 -0.00 1.08 -1.25 -0.68 0.00 0.00 175.30 174.45 3gxm s PRO 3 N 0.80 3.01 0.12 3.54 0.04 -1.26 -1.77 135.00 139.49 3gxm s PRO 3 Ca -0.11 1.26 -0.33 0.00 0.04 0.00 0.00 61.00 61.86 3gxm s PRO 3 Cb -0.16 -1.99 -0.12 0.00 0.04 0.00 0.00 34.50 32.27 3gxm s PRO 3 CO 0.02 -1.07 1.72 0.00 0.04 0.00 0.00 177.00 177.71 3gxm s ILE 5 N 1.89 4.80 0.28 0.00 -1.09 -1.26 -5.01 121.20 120.81 3gxm s ILE 5 Ca 0.81 0.40 -0.29 0.00 -2.23 0.00 0.00 60.65 59.35 3gxm s ILE 5 Cb -0.60 -4.19 -0.09 0.00 -1.58 0.00 0.00 42.46 36.00 3gxm s ILE 5 CO 0.39 -0.52 1.01 -2.16 -1.23 0.00 0.00 174.94 172.42 3gxm s PRO 6 N 2.92 4.68 -0.01 2.79 0.04 -1.26 -0.39 135.00 143.76 3gxm s PRO 6 Ca 0.26 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.87 3gxm s PRO 6 Cb -0.14 -3.10 0.01 0.00 0.04 0.00 0.00 34.50 31.31 3gxm s PRO 6 CO 0.18 0.31 -0.00 0.21 0.04 0.00 0.00 177.00 177.75 3gxm s LYS 7 N -1.53 0.14 -0.07 4.56 2.20 -0.36 -4.88 119.74 119.80 3gxm s LYS 7 Ca 0.45 0.04 -0.12 0.00 -0.36 0.00 0.00 55.97 55.98 3gxm s LYS 7 Cb -0.27 -0.26 -0.05 0.00 -1.51 0.00 0.00 37.83 35.74 3gxm s LYS 7 CO 0.33 -0.06 0.30 0.45 -0.36 0.00 0.00 175.35 176.02 3gxm s SER 8 N 0.53 6.60 -0.16 1.43 0.15 -1.26 -1.52 113.70 119.46 3gxm s SER 8 Ca -0.05 0.71 0.17 0.00 0.70 0.00 0.00 55.95 57.48 3gxm s SER 8 Cb -0.07 -2.18 0.39 0.00 -1.71 0.00 0.00 66.02 62.44 3gxm s SER 8 CO -0.01 0.30 1.26 0.49 1.20 0.00 0.00 173.24 176.47 3gxm n PHE 9 N 2.28 0.34 -0.86 3.44 3.01 -1.26 -4.97 117.46 119.45 3gxm n PHE 9 Ca -0.15 -1.06 0.00 0.00 1.01 0.00 0.00 57.45 57.25 3gxm n PHE 9 Cb 0.53 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 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 -1.13 0.56 0.00 1.37 0.00 -1.26 -4.90 105.19 99.82 3gxm n GLY 10 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.86 -1.82 0.14 1.61 4.02 -1.26 -5.04 117.16 111.95 3gxm n TYR 11 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.94 3gxm n TYR 11 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.36 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 0.00 0.00 -0.22 7.72 4.64 -1.88 -3.46 113.55 120.35 3gxm h SER 12 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gxm h SER 12 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gxm h SER 12 CO 0.00 0.37 0.00 -0.24 -0.87 0.00 0.00 176.83 176.09 3gxm n SER 13 N -3.12 0.44 -4.65 4.97 2.88 0.16 -4.85 113.62 109.44 3gxm n SER 13 Ca 0.01 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.32 3gxm n SER 13 Cb 0.69 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.08 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 0.07 3.51 0.41 2.46 -7.23 -1.25 -4.46 120.40 113.90 3gxm s VAL 14 Ca 0.00 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.31 3gxm s VAL 14 Cb 0.00 -2.87 -0.01 0.00 0.56 0.00 0.00 36.38 34.06 3gxm s VAL 14 CO 0.00 -0.36 0.62 0.68 -0.31 0.00 0.00 175.10 175.74 3gxm s VAL 15 N -2.27 4.41 -0.25 1.32 -7.23 -0.58 -4.32 120.40 111.48 3gxm s VAL 15 Ca 0.31 -0.48 -0.08 0.00 -1.81 0.00 0.00 61.98 59.92 3gxm s VAL 15 Cb -0.07 -3.62 -0.03 0.00 0.56 0.00 0.00 36.38 33.22 3gxm s VAL 15 CO 0.20 -0.42 0.09 0.00 -0.31 0.00 0.00 175.10 174.66 3gxm s VAL 17 N 1.47 5.01 0.12 0.00 1.01 0.48 -1.07 120.40 127.41 3gxm s VAL 17 Ca 0.06 1.51 0.04 0.00 0.00 0.00 0.00 61.98 63.59 3gxm s VAL 17 Cb -0.15 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 3gxm s VAL 17 CO 0.05 0.21 -0.10 0.00 0.00 0.00 0.00 175.10 175.26 3gxm n ASN 19 N 0.24 0.00 0.21 0.00 0.23 0.31 -0.66 115.26 115.60 3gxm n ASN 19 Ca -0.14 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.02 3gxm n ASN 19 Cb 0.59 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.55 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 1.78 0.93 0.00 -2.53 0.00 -1.91 -3.33 119.26 114.20 3gxm h ALA 20 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3gxm h ALA 20 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gxm h ALA 20 CO 0.00 0.18 0.00 0.25 0.00 0.00 0.00 179.25 179.68 3gxm n THR 21 N -3.17 0.00 -3.73 0.00 -2.24 -1.26 -3.99 114.28 99.89 3gxm n THR 21 Ca 0.02 -0.46 -0.12 0.00 -2.27 0.00 0.00 64.05 61.23 3gxm n THR 21 Cb 0.53 1.03 -0.12 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.58 -0.40 -0.07 4.78 5.04 -1.25 -5.14 117.35 119.73 3gxm s TYR 22 Ca 0.00 0.92 -0.19 0.00 -2.44 0.00 0.00 57.07 55.37 3gxm s TYR 22 Cb 0.00 0.12 0.04 0.00 0.35 0.00 0.00 41.96 42.47 3gxm s TYR 22 CO 0.00 -0.24 0.44 0.00 -1.34 0.00 0.00 175.55 174.40 3gxm s ASP 24 N -0.83 6.59 0.27 0.00 -4.77 -1.26 -4.82 116.67 111.85 3gxm s ASP 24 Ca -0.09 2.75 -0.07 0.00 -3.30 0.00 0.00 52.55 51.85 3gxm s ASP 24 Cb -0.03 -2.63 -0.01 0.00 -1.09 0.00 0.00 42.92 39.16 3gxm s ASP 24 CO 0.04 -0.74 0.41 -0.94 0.70 0.00 0.00 175.17 174.64 3gxm s SER 25 N 0.29 0.33 0.10 2.11 1.04 -0.73 -4.97 113.70 111.88 3gxm s SER 25 Ca 0.59 -1.23 0.06 0.00 0.48 0.00 0.00 55.95 55.85 3gxm s SER 25 Cb -0.43 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.22 3gxm s SER 25 CO 0.46 -1.14 -0.05 -0.36 0.98 0.00 0.00 173.24 173.14 3gxm s PHE 26 N -3.69 2.86 0.68 5.02 0.40 0.48 -2.38 117.98 121.35 3gxm s PHE 26 Ca 0.29 -0.10 -0.12 0.00 -0.60 0.00 0.00 56.93 56.40 3gxm s PHE 26 Cb 0.01 -1.47 0.01 0.00 0.51 0.00 0.00 43.02 42.07 3gxm s PHE 26 CO 0.14 0.46 1.07 -0.51 0.70 0.00 0.00 175.22 177.08 3gxm s ASP 27 N -2.32 5.25 0.47 1.36 1.01 -1.26 -4.50 116.67 116.68 3gxm s ASP 27 Ca 0.24 1.76 -0.22 0.00 0.71 0.00 0.00 52.55 55.04 3gxm s ASP 27 Cb -0.11 -2.52 -0.10 0.00 1.01 0.00 0.00 42.92 41.20 3gxm s ASP 27 CO 0.16 -1.53 0.86 -2.65 0.21 0.00 0.00 175.17 172.22 3gxm n PRO 28 N -2.85 1.03 -1.66 8.23 -0.02 -1.26 -4.83 135.00 133.64 3gxm n PRO 28 Ca 0.09 0.38 -0.50 0.00 -2.02 0.00 0.00 63.50 61.44 3gxm n PRO 28 Cb 0.53 -1.92 -0.05 0.00 -0.02 0.00 0.00 33.50 32.04 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 0.02 1.76 -3.39 0.52 -0.02 -1.26 -4.99 135.00 127.65 3gxm n PRO 29 Ca 0.11 0.64 -0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3gxm n PRO 29 Cb 0.41 -2.39 -0.09 0.00 -0.02 0.00 0.00 33.50 31.41 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 2.21 -0.52 -0.02 3.45 2.01 -1.26 -5.16 115.64 116.35 3gxm s THR 30 Ca 0.88 -0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.77 3gxm s THR 30 Cb -0.81 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 3gxm s THR 30 CO 0.49 -0.20 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.74 3gxm s PHE 31 N 2.47 2.75 0.81 4.92 0.08 -1.26 -5.11 117.98 122.64 3gxm s PHE 31 Ca 0.11 -0.13 -0.10 0.00 0.12 0.00 0.00 56.93 56.93 3gxm s PHE 31 Cb -0.15 -1.60 0.11 0.00 -0.57 0.00 0.00 43.02 40.80 3gxm s PHE 31 CO -0.18 0.26 1.15 -1.25 -0.10 0.00 0.00 175.22 175.10 3gxm s PRO 32 N -1.03 1.70 0.92 0.24 0.04 -1.26 -5.06 135.00 130.55 3gxm s PRO 32 Ca 0.13 -0.23 -0.14 0.00 0.04 0.00 0.00 61.00 60.80 3gxm s PRO 32 Cb -0.11 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 3gxm s PRO 32 CO 0.03 -1.67 0.13 0.00 0.04 0.00 0.00 177.00 175.53 3gxm n ALA 33 N -3.26 -3.14 -1.66 8.56 0.00 -1.26 -4.56 120.51 115.19 3gxm n ALA 33 Ca 0.10 -0.56 -0.45 0.00 0.00 0.00 0.00 53.44 52.53 3gxm n ALA 33 Cb 0.60 -1.64 -0.02 0.00 0.00 0.00 0.00 19.45 18.39 3gxm n ALA 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3gxm n LEU 34 N 0.05 2.92 0.00 0.00 7.94 -1.26 -2.33 117.00 124.32 3gxm n LEU 34 Ca 0.05 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.11 3gxm n LEU 34 Cb 0.53 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 43.08 3gxm n LEU 34 CO 0.51 -0.63 0.00 0.61 -1.11 0.00 0.00 177.39 176.77 3gxm n GLY 35 N 1.89 0.66 3.18 -3.96 0.00 -1.26 -5.05 105.19 100.66 3gxm n GLY 35 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.64 1.38 0.25 2.61 2.01 -0.98 0.00 115.64 118.28 3gxm s THR 36 Ca 0.00 -0.96 0.10 0.00 0.31 0.00 0.00 61.69 61.14 3gxm s THR 36 Cb 0.00 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 3gxm s THR 36 CO 0.00 0.21 -0.06 0.72 -0.69 0.00 0.00 174.62 174.80 3gxm s PHE 37 N -0.66 2.60 -0.12 4.92 -0.12 -0.26 -4.56 117.98 119.79 3gxm s PHE 37 Ca 0.05 -0.24 -0.03 0.00 -0.05 0.00 0.00 56.93 56.66 3gxm s PHE 37 Cb -0.08 -1.17 -0.03 0.00 -0.63 0.00 0.00 43.02 41.11 3gxm s PHE 37 CO 0.01 0.62 0.01 -1.12 -0.05 0.00 0.00 175.22 174.69 3gxm s SER 38 N -3.50 5.25 -0.08 1.98 0.01 -0.14 -2.27 113.70 114.96 3gxm s SER 38 Ca 0.30 0.09 0.05 0.00 1.31 0.00 0.00 55.95 57.70 3gxm s SER 38 Cb -0.07 -1.64 -0.00 0.00 0.21 0.00 0.00 66.02 64.52 3gxm s SER 38 CO 0.18 0.30 -0.23 -0.60 0.41 0.00 0.00 173.24 173.30 3gxm s ARG 39 N -0.41 2.72 -0.11 12.44 3.52 0.79 -0.60 118.95 137.30 3gxm s ARG 39 Ca 0.08 -0.85 -0.00 0.00 -0.13 0.00 0.00 55.73 54.83 3gxm s ARG 39 Cb -0.12 -2.16 -0.02 0.00 -1.56 0.00 0.00 34.95 31.09 3gxm s ARG 39 CO 0.02 0.25 -0.10 0.71 -0.81 0.00 0.00 175.30 175.37 3gxm s TYR 40 N 0.16 2.86 -0.05 5.12 1.51 0.20 -1.09 117.35 126.05 3gxm s TYR 40 Ca -0.12 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.57 3gxm s TYR 40 Cb -0.16 -1.81 0.02 0.00 -0.11 0.00 0.00 41.96 39.90 3gxm s TYR 40 CO 0.06 -0.02 -0.06 -2.00 -1.11 0.00 0.00 175.55 172.43 3gxm s GLU 41 N -0.01 1.01 -0.04 -0.62 2.12 0.53 -0.93 118.70 120.77 3gxm s GLU 41 Ca -0.02 -0.15 0.06 0.00 0.36 0.00 0.00 54.97 55.22 3gxm s GLU 41 Cb -0.14 -0.99 -0.01 0.00 0.26 0.00 0.00 34.13 33.25 3gxm s GLU 41 CO 0.04 -0.09 -0.23 -1.12 -0.54 0.00 0.00 175.26 173.32 3gxm s SER 42 N 1.00 2.77 0.09 -1.70 0.01 -0.74 -1.02 113.70 114.10 3gxm s SER 42 Ca -0.10 -0.45 0.05 0.00 1.31 0.00 0.00 55.95 56.77 3gxm s SER 42 Cb -0.14 -0.61 -0.03 0.00 0.21 0.00 0.00 66.02 65.45 3gxm s SER 42 CO -0.00 0.24 -0.13 0.42 0.41 0.00 0.00 173.24 174.18 3gxm s THR 43 N -0.26 1.11 0.44 1.44 -4.23 0.17 -0.90 115.64 113.42 3gxm s THR 43 Ca 0.01 -1.44 0.10 0.00 -1.18 0.00 0.00 61.69 59.17 3gxm s THR 43 Cb -0.12 -1.20 0.27 0.00 1.34 0.00 0.00 72.50 72.79 3gxm s THR 43 CO 0.02 -0.33 2.07 -0.09 -0.54 0.00 0.00 174.62 175.75 3gxm h ARG 44 N 4.01 0.42 0.00 3.99 2.43 -1.67 -1.21 114.38 122.34 3gxm h ARG 44 Ca -0.40 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 3gxm h ARG 44 Cb 1.19 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3gxm h ARG 44 CO 0.44 0.27 0.00 -1.13 -1.51 0.00 0.00 179.97 178.05 3gxm n SER 45 N -4.49 0.55 0.00 -3.80 3.41 -1.26 -4.50 113.62 103.53 3gxm n SER 45 Ca 0.02 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 3gxm n SER 45 Cb 0.10 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 3gxm n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gxm n GLY 46 N -0.62 0.79 3.75 5.00 0.00 -0.46 -5.02 105.19 108.63 3gxm n GLY 46 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 4.50 -0.25 1.61 0.52 -1.22 -4.84 118.95 119.27 3gxm s ARG 47 Ca 0.00 1.97 -0.01 0.00 -0.52 0.00 0.00 55.73 57.17 3gxm s ARG 47 Cb 0.00 -3.17 0.08 0.00 0.52 0.00 0.00 34.95 32.38 3gxm s ARG 47 CO 0.00 -0.02 0.03 1.03 0.02 0.00 0.00 175.30 176.35 3gxm s ARG 48 N -1.11 1.05 -1.63 3.54 1.81 -1.24 -0.65 118.95 120.71 3gxm s ARG 48 Ca 0.49 -0.91 -0.13 0.00 -1.72 0.00 0.00 55.73 53.46 3gxm s ARG 48 Cb -0.35 -2.31 0.13 0.00 -0.45 0.00 0.00 34.95 31.97 3gxm s ARG 48 CO 0.43 -0.76 0.32 -1.33 -0.68 0.00 0.00 175.30 173.29 3gxm n MET 49 N 4.81 -0.82 -2.54 3.54 2.81 -0.56 -4.90 117.12 119.46 3gxm n MET 49 Ca -0.07 0.11 -0.40 0.00 -1.81 0.00 0.00 57.70 55.53 3gxm n MET 49 Cb 0.44 -3.96 -0.05 0.00 -0.71 0.00 0.00 33.22 28.95 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 -6.96 4.67 -0.08 0.03 2.02 -0.19 -4.58 118.70 113.63 3gxm s GLU 50 Ca 0.45 1.73 -0.02 0.00 0.02 0.00 0.00 54.97 57.15 3gxm s GLU 50 Cb -0.26 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 30.71 3gxm s GLU 50 CO 0.95 0.25 0.02 -1.17 0.02 0.00 0.00 175.26 175.32 3gxm s LEU 51 N -1.19 3.65 0.14 1.80 2.96 -1.26 -0.34 118.68 124.45 3gxm s LEU 51 Ca 0.45 0.16 -0.13 0.00 -0.22 0.00 0.00 54.13 54.38 3gxm s LEU 51 Cb -0.30 -1.88 0.01 0.00 0.50 0.00 0.00 46.19 44.52 3gxm s LEU 51 CO 0.38 0.37 0.35 -0.94 -1.32 0.00 0.00 176.35 175.19 3gxm s SER 52 N -1.00 -0.09 0.33 3.68 1.04 -0.25 -4.99 113.70 112.41 3gxm s SER 52 Ca 0.14 -0.57 0.09 0.00 0.48 0.00 0.00 55.95 56.10 3gxm s SER 52 Cb -0.11 0.46 -0.06 0.00 0.10 0.00 0.00 66.02 66.40 3gxm s SER 52 CO 0.04 -0.88 -0.10 -0.04 0.98 0.00 0.00 173.24 173.24 3gxm s MET 53 N -3.87 1.76 0.26 4.02 -1.94 -1.26 -0.15 119.30 118.12 3gxm s MET 53 Ca 0.08 -1.90 -0.19 0.00 -1.71 0.00 0.00 55.69 51.98 3gxm s MET 53 Cb 0.02 -1.62 0.07 0.00 2.01 0.00 0.00 34.83 35.31 3gxm s MET 53 CO -0.07 0.14 0.93 0.41 -0.01 0.00 0.00 175.02 176.42 3gxm n GLY 54 N -0.74 0.75 3.92 -0.03 0.00 -0.96 -4.97 105.19 103.15 3gxm n GLY 54 Ca -0.05 -1.18 -0.26 0.00 0.00 0.00 0.00 46.02 44.52 3gxm n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxm s PRO 55 N -2.06 3.28 -0.26 1.61 0.04 -1.26 -1.10 135.00 135.24 3gxm s PRO 55 Ca 0.20 0.00 0.02 0.00 0.04 0.00 0.00 61.00 61.26 3gxm s PRO 55 Cb -0.04 -2.39 0.07 0.00 0.04 0.00 0.00 34.50 32.18 3gxm s PRO 55 CO 0.08 -0.34 -0.05 0.42 0.04 0.00 0.00 177.00 177.14 3gxm s ILE 56 N -2.76 1.82 0.30 0.56 1.01 0.10 -4.65 121.20 117.58 3gxm s ILE 56 Ca 0.49 -1.53 0.08 0.00 0.00 0.00 0.00 60.65 59.69 3gxm s ILE 56 Cb -0.10 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 3gxm s ILE 56 CO 0.43 -0.17 0.13 -1.10 0.00 0.00 0.00 174.94 174.23 3gxm s GLN 57 N 1.24 2.51 0.30 2.79 -0.21 0.40 -4.62 119.66 122.08 3gxm s GLN 57 Ca -0.04 -1.37 0.01 0.00 0.02 0.00 0.00 55.36 53.98 3gxm s GLN 57 Cb -0.19 -2.29 0.49 0.00 1.00 0.00 0.00 33.01 32.01 3gxm s GLN 57 CO -0.07 0.24 1.86 0.00 -2.12 0.00 0.00 175.29 175.20 3gxm h ALA 58 N 1.59 1.30 -2.00 6.09 0.00 -1.88 0.74 119.26 125.09 3gxm h ALA 58 Ca -0.45 -0.18 -0.50 0.00 0.00 0.00 0.00 54.91 53.78 3gxm h ALA 58 Cb 1.25 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 3gxm h ALA 58 CO 0.61 0.50 -0.49 -0.80 0.00 0.00 0.00 179.25 179.07 3gxm s ASN 59 N -6.61 5.37 -0.36 0.00 0.02 -1.26 -4.75 114.94 107.35 3gxm s ASN 59 Ca -0.09 -0.40 -0.02 0.00 -1.02 0.00 0.00 52.86 51.33 3gxm s ASN 59 Cb 0.16 -1.15 0.09 0.00 0.02 0.00 0.00 41.25 40.36 3gxm s ASN 59 CO 0.79 -0.21 0.12 -2.28 0.02 0.00 0.00 177.10 175.54 3gxm s HIS 60 N -2.23 3.47 -0.71 2.20 5.65 -1.26 -4.70 115.29 117.71 3gxm s HIS 60 Ca 0.37 -2.21 0.24 0.00 0.25 0.00 0.00 55.06 53.70 3gxm s HIS 60 Cb -0.07 -2.78 0.20 0.00 -1.18 0.00 0.00 32.58 28.76 3gxm s HIS 60 CO 0.26 -0.90 1.17 0.25 -0.65 0.00 0.00 174.74 174.87 3gxm n THR 61 N 4.59 0.18 -2.47 0.89 -2.24 -1.26 -4.94 114.28 109.03 3gxm n THR 61 Ca -0.06 -0.20 -0.37 0.00 -2.27 0.00 0.00 64.05 61.15 3gxm n THR 61 Cb 0.42 0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 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 -3.51 2.81 0.00 3.38 0.00 -1.26 -4.97 107.32 103.77 3gxm s GLY 62 Ca 0.06 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.57 3gxm s GLY 62 CO 0.76 1.26 0.63 -1.30 0.00 0.00 0.00 173.10 174.45 3gxm n THR 63 N 0.11 0.39 -0.07 0.90 -2.24 -1.26 -5.03 114.28 107.08 3gxm n THR 63 Ca 0.04 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3gxm n THR 63 Cb 0.48 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.19 2.25 3.76 3.38 0.00 -1.26 -5.06 105.19 108.07 3gxm n GLY 64 Ca 0.00 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 3gxm n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gxm s LEU 65 N 0.00 4.40 -0.11 0.99 2.96 -1.25 -4.90 118.68 120.77 3gxm s LEU 65 Ca 0.00 2.72 0.01 0.00 -0.22 0.00 0.00 54.13 56.65 3gxm s LEU 65 Cb 0.00 -3.64 0.02 0.00 0.50 0.00 0.00 46.19 43.06 3gxm s LEU 65 CO 0.00 -0.62 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.06 3gxm s LEU 66 N -1.46 1.64 -0.24 -0.68 2.96 -1.26 -1.02 118.68 118.62 3gxm s LEU 66 Ca 0.52 -0.41 -0.08 0.00 -0.22 0.00 0.00 54.13 53.94 3gxm s LEU 66 Cb -0.41 -1.04 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 3gxm s LEU 66 CO 0.52 -0.01 0.09 -0.76 -1.32 0.00 0.00 176.35 174.87 3gxm s LEU 67 N 1.12 3.65 -0.22 -0.68 1.43 0.36 -1.29 118.68 123.06 3gxm s LEU 67 Ca -0.04 -0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 52.91 3gxm s LEU 67 Cb -0.14 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 3gxm s LEU 67 CO -0.03 0.02 0.02 -0.89 0.23 0.00 0.00 176.35 175.70 3gxm s THR 68 N 1.28 4.01 0.23 5.49 2.01 -0.07 0.18 115.64 128.77 3gxm s THR 68 Ca 0.05 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.47 3gxm s THR 68 Cb -0.15 -2.83 -0.09 0.00 0.01 0.00 0.00 72.50 69.44 3gxm s THR 68 CO 0.04 0.40 1.38 -0.22 -0.69 0.00 0.00 174.62 175.53 3gxm s LEU 69 N 1.21 4.40 -0.62 4.42 2.96 0.72 -1.28 118.68 130.49 3gxm s LEU 69 Ca 0.03 2.55 0.05 0.00 -0.22 0.00 0.00 54.13 56.55 3gxm s LEU 69 Cb -0.15 -3.62 0.18 0.00 0.50 0.00 0.00 46.19 43.11 3gxm s LEU 69 CO 0.02 -0.62 0.49 0.00 -1.32 0.00 0.00 176.35 174.92 3gxm n GLN 70 N 2.40 1.50 0.27 1.98 1.13 -0.55 -4.54 117.38 119.56 3gxm n GLN 70 Ca 0.06 -4.16 0.11 0.00 -1.94 0.00 0.00 57.00 51.07 3gxm n GLN 70 Cb 0.41 -2.10 0.73 0.00 0.11 0.00 0.00 30.24 29.40 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 5.23 0.00 0.00 -1.09 0.13 -1.94 -1.69 132.00 132.64 3gxm h PRO 71 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3gxm h PRO 71 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3gxm h PRO 71 CO 0.64 0.04 0.00 0.39 -0.23 0.00 0.00 178.00 178.84 3gxm n GLU 72 N -4.16 0.76 -3.94 0.86 -0.58 -1.26 -4.41 120.64 107.91 3gxm n GLU 72 Ca -0.03 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.41 3gxm n GLU 72 Cb 0.13 -1.24 -0.15 0.00 -0.57 0.00 0.00 31.44 29.61 3gxm n GLU 72 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3gxm s GLN 73 N -2.00 1.45 -0.12 3.49 0.74 -0.66 -5.04 119.66 117.51 3gxm s GLN 73 Ca 0.17 -1.92 -0.03 0.00 0.05 0.00 0.00 55.36 53.64 3gxm s GLN 73 Cb 0.08 -2.98 -0.03 0.00 1.10 0.00 0.00 33.01 31.18 3gxm s GLN 73 CO 0.13 -1.00 -0.03 0.15 -0.55 0.00 0.00 175.29 174.00 3gxm s LYS 74 N 0.73 3.36 0.00 1.67 1.02 -1.26 -0.55 119.74 124.70 3gxm s LYS 74 Ca 0.12 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.62 3gxm s LYS 74 Cb -0.21 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.26 3gxm s LYS 74 CO -0.08 0.43 0.00 1.19 -0.92 0.00 0.00 175.35 175.96 3gxm n PHE 75 N 2.97 0.00 -2.53 3.18 3.01 0.26 -4.99 117.46 119.35 3gxm n PHE 75 Ca -0.18 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.96 3gxm n PHE 75 Cb 0.53 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.96 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 4.77 3.97 0.19 -1.08 0.00 -1.26 -4.70 119.66 121.55 3gxm s GLN 76 Ca 0.00 0.91 -0.09 0.00 -0.00 0.00 0.00 55.36 56.18 3gxm s GLN 76 Cb 0.00 -2.18 -0.07 0.00 0.00 0.00 0.00 33.01 30.76 3gxm s GLN 76 CO 0.00 -0.20 0.50 0.15 0.00 0.00 0.00 175.29 175.74 3gxm s LYS 77 N -3.89 3.77 -0.22 9.60 1.02 -1.26 -1.43 119.74 127.33 3gxm s LYS 77 Ca 0.58 0.20 -0.10 0.00 0.02 0.00 0.00 55.97 56.66 3gxm s LYS 77 Cb -0.10 -2.74 -0.05 0.00 -0.52 0.00 0.00 37.83 34.42 3gxm s LYS 77 CO 0.28 0.38 0.15 0.08 -0.92 0.00 0.00 175.35 175.33 3gxm s VAL 78 N -1.73 5.38 -0.08 3.17 1.01 0.21 -4.69 120.40 123.67 3gxm s VAL 78 Ca 0.44 0.21 -0.17 0.00 0.00 0.00 0.00 61.98 62.46 3gxm s VAL 78 Cb -0.12 -3.49 -0.13 0.00 0.00 0.00 0.00 36.38 32.64 3gxm s VAL 78 CO 0.22 0.39 0.61 0.50 0.00 0.00 0.00 175.10 176.82 3gxm h LYS 79 N 7.05 -0.15 0.00 2.72 1.63 0.01 0.23 116.57 128.06 3gxm h LYS 79 Ca -0.40 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 3gxm h LYS 79 Cb 1.16 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 3gxm h LYS 79 CO 0.71 0.25 0.00 0.41 -3.45 0.00 0.00 179.45 177.38 3gxm n GLY 80 N 1.06 -0.07 2.98 5.01 0.00 -1.18 -4.42 105.19 108.56 3gxm n GLY 80 Ca -0.06 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.29 -0.12 0.00 1.61 0.40 -1.26 -0.49 117.98 114.83 3gxm s PHE 81 Ca 0.00 0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.63 3gxm s PHE 81 Cb 0.00 0.03 0.00 0.00 0.51 0.00 0.00 43.02 43.56 3gxm s PHE 81 CO 0.00 -0.06 0.00 0.41 0.70 0.00 0.00 175.22 176.27 3gxm n GLY 82 N 3.11 2.01 3.83 4.36 0.00 -0.33 -1.17 105.19 117.01 3gxm n GLY 82 Ca -0.13 -0.54 -0.06 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 -0.29 0.12 -0.15 -0.02 0.00 -1.14 -0.47 107.32 105.38 3gxm s GLY 83 Ca 0.00 -0.43 -0.13 0.00 0.00 0.00 0.00 44.72 44.16 3gxm s GLY 83 CO 0.00 0.43 0.28 0.00 0.00 0.00 0.00 173.10 173.80 3gxm s ALA 84 N -2.74 3.63 -1.26 3.20 0.00 0.28 -2.04 121.76 122.82 3gxm s ALA 84 Ca 0.16 -0.47 -0.13 0.00 0.00 0.00 0.00 51.96 51.51 3gxm s ALA 84 Cb -0.04 -2.34 0.14 0.00 0.00 0.00 0.00 23.12 20.88 3gxm s ALA 84 CO 0.08 0.17 1.66 -0.12 0.00 0.00 0.00 175.76 177.55 3gxm n MET 85 N 3.30 3.36 -2.19 0.00 1.56 -0.04 -1.62 117.12 121.50 3gxm n MET 85 Ca -0.13 -3.57 -0.29 0.00 -0.27 0.00 0.00 57.70 53.44 3gxm n MET 85 Cb 0.52 -3.11 0.02 0.00 2.15 0.00 0.00 33.22 32.80 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 1.85 4.29 0.21 1.12 -4.23 -1.26 -4.35 115.64 113.27 3gxm s THR 86 Ca 0.44 0.43 -0.09 0.00 -1.18 0.00 0.00 61.69 61.29 3gxm s THR 86 Cb 0.03 -3.70 0.15 0.00 1.34 0.00 0.00 72.50 70.32 3gxm s THR 86 CO 0.01 -0.82 1.75 0.44 -0.54 0.00 0.00 174.62 175.46 3gxm h ASP 87 N -0.21 0.29 -0.49 3.99 3.32 -1.91 -0.87 116.42 120.54 3gxm h ASP 87 Ca -0.45 0.07 0.09 0.00 0.02 0.00 0.00 57.03 56.76 3gxm h ASP 87 Cb 1.22 0.04 -0.08 0.00 0.22 0.00 0.00 39.33 40.73 3gxm h ASP 87 CO 0.62 0.17 0.03 0.00 -1.72 0.00 0.00 179.24 178.33 3gxm h ALA 88 N 1.42 0.49 -0.37 3.45 0.00 -1.65 0.66 119.26 123.26 3gxm h ALA 88 Ca 0.32 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 3gxm h ALA 88 Cb 0.37 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3gxm h ALA 88 CO -0.29 -0.37 0.09 0.00 0.00 0.00 0.00 179.25 178.68 3gxm h ALA 89 N 1.43 0.48 0.13 0.00 0.00 -1.33 -1.99 119.26 117.98 3gxm h ALA 89 Ca 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3gxm h ALA 89 Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3gxm h ALA 89 CO -0.39 0.15 -0.06 0.00 0.00 0.00 0.00 179.25 178.95 3gxm h ALA 90 N 0.94 -0.17 -0.99 0.00 0.00 -1.12 -1.16 119.26 116.76 3gxm h ALA 90 Ca 0.12 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.07 3gxm h ALA 90 Cb 0.29 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 3gxm h ALA 90 CO 0.00 -0.56 0.63 -0.07 0.00 0.00 0.00 179.25 179.25 3gxm h LEU 91 N -0.25 0.91 -0.15 0.00 3.38 -0.86 -1.40 115.31 116.94 3gxm h LEU 91 Ca -0.02 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3gxm h LEU 91 Cb 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3gxm h LEU 91 CO 0.03 0.50 -0.27 0.78 0.09 0.00 0.00 178.44 179.57 3gxm h ASN 92 N 0.98 0.50 -0.95 -0.43 2.35 -1.05 -2.96 115.58 114.02 3gxm h ASN 92 Ca 0.48 -0.54 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 3gxm h ASN 92 Cb 0.47 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.65 3gxm h ASN 92 CO -0.24 0.95 0.63 0.40 -1.65 0.00 0.00 177.43 177.51 3gxm h ILE 93 N 0.07 1.25 -0.03 2.81 2.04 -1.11 -2.93 117.51 119.61 3gxm h ILE 93 Ca 0.01 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.41 3gxm h ILE 93 Cb 0.85 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3gxm h ILE 93 CO 0.06 0.24 0.00 0.18 0.00 0.00 0.00 178.15 178.63 3gxm n LEU 94 N -4.38 0.94 -0.15 1.44 4.77 -0.54 -2.74 117.00 116.34 3gxm n LEU 94 Ca 0.11 -0.34 0.12 0.00 -0.03 0.00 0.00 56.01 55.88 3gxm n LEU 94 Cb 0.02 -0.02 0.26 0.00 -2.33 0.00 0.00 43.42 41.35 3gxm n LEU 94 CO 0.37 0.17 0.49 0.00 -1.33 0.00 0.00 177.39 177.09 3gxm n ALA 95 N -0.24 3.43 -2.14 -1.18 0.00 -1.10 -4.86 120.51 114.42 3gxm n ALA 95 Ca 0.19 -0.42 -0.29 0.00 0.00 0.00 0.00 53.44 52.93 3gxm n ALA 95 Cb 0.25 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.74 3.51 0.48 0.00 1.43 -1.11 -4.87 118.68 115.39 3gxm s LEU 96 Ca 0.17 1.09 -0.22 0.00 -1.03 0.00 0.00 54.13 54.14 3gxm s LEU 96 Cb 0.18 -4.07 -0.07 0.00 0.03 0.00 0.00 46.19 42.26 3gxm s LEU 96 CO 0.62 -0.66 1.15 -0.94 0.23 0.00 0.00 176.35 176.75 3gxm s SER 97 N -4.10 6.06 0.26 2.29 1.04 -1.26 -4.74 113.70 113.26 3gxm s SER 97 Ca 0.50 2.25 -0.05 0.00 0.48 0.00 0.00 55.95 59.12 3gxm s SER 97 Cb -0.10 -2.59 0.49 0.00 0.10 0.00 0.00 66.02 63.91 3gxm s SER 97 CO 0.47 -0.99 1.43 -2.65 0.98 0.00 0.00 173.24 172.48 3gxm n PRO 98 N -0.73 -0.08 0.09 4.02 -0.02 -1.26 -0.91 135.00 136.11 3gxm n PRO 98 Ca 0.09 1.41 -0.01 0.00 -2.02 0.00 0.00 63.50 62.97 3gxm n PRO 98 Cb 0.49 -2.14 0.26 0.00 -0.02 0.00 0.00 33.50 32.09 3gxm n PRO 98 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3gxm h PRO 99 N 0.00 0.28 -0.64 0.52 0.11 -1.92 -2.27 132.00 128.08 3gxm h PRO 99 Ca 0.47 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.45 3gxm h PRO 99 Cb 0.78 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.85 3gxm h PRO 99 CO -0.92 0.57 0.34 0.00 -0.21 0.00 0.00 178.00 177.78 3gxm h ALA 100 N 1.43 0.82 -0.71 -0.75 0.00 -1.15 -2.45 119.26 116.44 3gxm h ALA 100 Ca 0.03 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.94 3gxm h ALA 100 Cb 0.68 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3gxm h ALA 100 CO 0.05 0.34 0.47 1.96 0.00 0.00 0.00 179.25 182.08 3gxm h GLN 101 N 0.87 0.52 0.07 0.00 4.20 -0.66 -1.36 115.11 118.75 3gxm h GLN 101 Ca 0.22 -0.03 -0.24 0.00 0.06 0.00 0.00 58.65 58.66 3gxm h GLN 101 Cb 0.05 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3gxm h GLN 101 CO -0.03 0.35 -1.10 -0.91 -0.67 0.00 0.00 178.83 176.46 3gxm h ASN 102 N 0.54 0.27 0.10 1.46 2.35 -1.07 -1.73 115.58 117.51 3gxm h ASN 102 Ca 0.33 -0.28 -0.16 0.00 -0.55 0.00 0.00 56.30 55.65 3gxm h ASN 102 Cb 0.58 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 3gxm h ASN 102 CO -0.11 1.19 -0.57 -0.07 -1.65 0.00 0.00 177.43 176.21 3gxm h LEU 103 N 0.06 0.55 -0.34 1.61 3.38 -1.16 -1.42 115.31 118.00 3gxm h LEU 103 Ca -0.08 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 3gxm h LEU 103 Cb 1.82 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 3gxm h LEU 103 CO 0.17 1.00 -0.08 0.25 0.09 0.00 0.00 178.44 179.87 3gxm h LEU 104 N 0.37 0.65 -0.62 1.67 6.46 -1.17 -1.42 115.31 121.25 3gxm h LEU 104 Ca 0.00 -0.36 -0.14 0.00 -0.12 0.00 0.00 57.88 57.26 3gxm h LEU 104 Cb 1.11 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.85 3gxm h LEU 104 CO 0.10 0.86 -0.49 -0.07 -0.62 0.00 0.00 178.44 178.23 3gxm h LEU 105 N 0.44 0.55 -1.09 2.25 3.38 -1.31 -2.55 115.31 116.98 3gxm h LEU 105 Ca 0.09 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 3gxm h LEU 105 Cb 0.58 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3gxm h LEU 105 CO 0.03 0.95 -0.09 0.11 0.09 0.00 0.00 178.44 179.53 3gxm h LYS 106 N 0.40 0.54 -0.66 1.13 1.57 -1.24 -0.88 116.57 117.43 3gxm h LYS 106 Ca 0.02 -0.15 0.12 0.00 -1.87 0.00 0.00 60.65 58.77 3gxm h LYS 106 Cb 1.00 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 3gxm h LYS 106 CO 0.09 0.63 0.45 0.77 -0.57 0.00 0.00 179.45 180.82 3gxm h SER 107 N 0.50 0.36 0.02 0.86 0.02 -0.81 -2.87 113.55 111.64 3gxm h SER 107 Ca 0.10 0.01 -0.38 0.00 -0.84 0.00 0.00 61.79 60.68 3gxm h SER 107 Cb 0.47 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 3gxm h SER 107 CO 0.03 0.21 -2.18 -1.22 -1.14 0.00 0.00 176.83 172.52 3gxm n TYR 108 N -4.47 0.44 -0.03 3.45 0.53 -1.10 -1.19 117.16 114.79 3gxm n TYR 108 Ca 0.12 0.14 0.04 0.00 -1.02 0.00 0.00 57.90 57.17 3gxm n TYR 108 Cb 0.45 -1.05 -0.14 0.00 -1.03 0.00 0.00 39.34 37.57 3gxm n TYR 108 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 3gxm n PHE 109 N -3.85 0.00 -2.26 -0.72 3.01 -0.35 0.13 117.46 113.41 3gxm n PHE 109 Ca -0.44 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 57.77 3gxm n PHE 109 Cb 0.91 -0.55 0.06 0.00 -0.01 0.00 0.00 39.48 39.89 3gxm n PHE 109 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3gxm s SER 110 N -4.41 5.05 0.00 4.37 0.15 -1.09 -3.83 113.70 113.94 3gxm s SER 110 Ca -0.07 0.52 0.29 0.00 0.70 0.00 0.00 55.95 57.40 3gxm s SER 110 Cb 0.10 -1.28 1.43 0.00 -1.71 0.00 0.00 66.02 64.56 3gxm s SER 110 CO 0.74 -1.44 2.01 -0.62 1.20 0.00 0.00 173.24 175.13 3gxm n GLU 111 N -2.81 0.32 0.00 5.44 -0.58 -1.26 -2.14 120.64 119.60 3gxm n GLU 111 Ca 0.07 0.01 0.12 0.00 -0.42 0.00 0.00 57.16 56.94 3gxm n GLU 111 Cb 0.60 -1.50 0.24 0.00 -0.57 0.00 0.00 31.44 30.21 3gxm n GLU 111 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3gxm n GLU 112 N -1.34 0.82 0.00 3.49 -0.58 -1.26 -4.72 120.64 117.05 3gxm n GLU 112 Ca 0.12 -0.55 0.00 0.00 -0.42 0.00 0.00 57.16 56.31 3gxm n GLU 112 Cb 0.26 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 3gxm n GLU 112 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gxm n GLY 113 N 1.38 4.19 0.80 0.62 0.00 -0.91 -0.38 105.19 110.89 3gxm n GLY 113 Ca 0.10 -1.43 0.08 0.00 0.00 0.00 0.00 46.02 44.76 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 0.76 -2.23 -0.61 -5.35 -0.33 -4.88 119.36 106.72 3gxm n ILE 114 Ca 0.00 -0.88 -0.06 0.00 -0.27 0.00 0.00 62.75 61.54 3gxm n ILE 114 Cb 0.00 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 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 0.87 0.18 3.65 3.28 0.00 -0.51 -2.27 105.19 110.39 3gxm n GLY 115 Ca 0.14 -0.59 -0.45 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.88 1.96 -0.53 1.61 0.53 0.12 -4.79 117.16 112.17 3gxm n TYR 116 Ca -0.06 0.52 0.00 0.00 -1.02 0.00 0.00 57.90 57.34 3gxm n TYR 116 Cb 0.55 -2.40 0.00 0.00 -1.03 0.00 0.00 39.34 36.46 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 1.75 0.59 -4.13 7.72 6.94 -0.31 -4.73 115.26 123.08 3gxm n ASN 117 Ca 0.10 -1.12 -0.25 0.00 -0.02 0.00 0.00 54.58 53.30 3gxm n ASN 117 Cb 0.31 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.58 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 -0.12 1.34 -0.12 1.53 1.01 -0.74 0.14 121.20 124.24 3gxm s ILE 118 Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.98 3gxm s ILE 118 Cb 0.00 -1.14 0.02 0.00 0.01 0.00 0.00 42.46 41.35 3gxm s ILE 118 CO 0.00 0.38 -0.15 -0.63 0.00 0.00 0.00 174.94 174.54 3gxm s ILE 119 N -0.10 1.55 -0.02 2.92 1.01 -0.83 -2.88 121.20 122.85 3gxm s ILE 119 Ca -0.00 -0.65 -0.22 0.00 0.00 0.00 0.00 60.65 59.77 3gxm s ILE 119 Cb -0.09 -1.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.90 3gxm s ILE 119 CO 0.01 0.45 0.66 -0.60 0.00 0.00 0.00 174.94 175.46 3gxm s ARG 120 N 1.16 4.39 -0.24 2.79 3.52 -0.86 -0.67 118.95 129.04 3gxm s ARG 120 Ca -0.02 0.83 -0.00 0.00 -0.13 0.00 0.00 55.73 56.41 3gxm s ARG 120 Cb -0.14 -3.38 0.03 0.00 -1.56 0.00 0.00 34.95 29.90 3gxm s ARG 120 CO -0.05 0.25 -0.09 0.08 -0.81 0.00 0.00 175.30 174.68 3gxm s VAL 121 N 0.18 2.58 0.60 7.11 1.01 0.21 -0.86 120.40 131.23 3gxm s VAL 121 Ca 0.34 -1.18 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 3gxm s VAL 121 Cb -0.18 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3gxm s VAL 121 CO 0.18 0.18 1.20 -2.84 0.00 0.00 0.00 175.10 173.82 3gxm s PRO 122 N 1.26 2.93 -0.55 2.72 0.02 -1.26 -1.90 135.00 138.21 3gxm s PRO 122 Ca -0.02 1.80 -0.16 0.00 0.02 0.00 0.00 61.00 62.64 3gxm s PRO 122 Cb -0.17 -1.93 0.13 0.00 0.02 0.00 0.00 34.50 32.56 3gxm s PRO 122 CO -0.06 -1.24 0.51 -1.64 -0.33 0.00 0.00 177.00 174.25 3gxm s MET 123 N -3.40 3.02 2.93 5.54 -1.94 0.08 -4.82 119.30 120.71 3gxm s MET 123 Ca 0.77 -1.75 0.00 0.00 -1.71 0.00 0.00 55.69 53.00 3gxm s MET 123 Cb -0.30 -4.30 0.00 0.00 2.01 0.00 0.00 34.83 32.24 3gxm s MET 123 CO 0.34 -1.33 0.00 0.00 -0.01 0.00 0.00 175.02 174.02 3gxm n ALA 124 N 5.18 0.00 -2.07 3.03 0.00 -1.26 -4.25 120.51 121.13 3gxm n ALA 124 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.01 3gxm n ALA 124 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.83 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 6.47 0.00 0.00 1.04 -1.17 -4.96 113.70 111.08 3gxm s SER 125 Ca 0.00 1.25 0.00 0.00 0.48 0.00 0.00 55.95 57.68 3gxm s SER 125 Cb 0.00 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.74 3gxm s SER 125 CO 0.00 -0.53 0.00 0.00 0.98 0.00 0.00 173.24 173.69 3gxm h ASP 127 N 0.00 0.42 -0.75 0.00 2.03 -1.95 -3.16 116.42 113.01 3gxm h ASP 127 Ca 0.00 0.02 -0.72 0.00 -0.73 0.00 0.00 57.03 55.60 3gxm h ASP 127 Cb 0.00 -0.07 -0.08 0.00 -0.83 0.00 0.00 39.33 38.35 3gxm h ASP 127 CO 0.00 0.24 2.86 0.49 -1.03 0.00 0.00 179.24 181.80 3gxm n PHE 128 N -4.48 2.66 -3.79 4.15 3.01 -1.26 -1.99 117.46 115.76 3gxm n PHE 128 Ca 0.12 -2.91 -0.13 0.00 1.01 0.00 0.00 57.45 55.54 3gxm n PHE 128 Cb 0.43 -2.10 -0.09 0.00 -0.01 0.00 0.00 39.48 37.71 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 1.19 -0.12 0.00 4.37 0.01 -1.19 -1.92 113.70 116.03 3gxm s SER 129 Ca 0.56 -0.03 0.28 0.00 1.31 0.00 0.00 55.95 58.07 3gxm s SER 129 Cb 0.17 0.29 0.97 0.00 0.21 0.00 0.00 66.02 67.66 3gxm s SER 129 CO -0.07 -0.45 1.70 2.30 0.41 0.00 0.00 173.24 177.13 3gxm n ILE 130 N 1.22 0.00 -3.66 1.44 -6.64 -1.26 -3.09 119.36 107.37 3gxm n ILE 130 Ca -0.21 -0.14 -0.14 0.00 -1.77 0.00 0.00 62.75 60.48 3gxm n ILE 130 Cb 0.56 0.28 -0.07 0.00 -1.44 0.00 0.00 39.64 38.98 3gxm n ILE 130 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3gxm s ARG 131 N -2.35 0.86 0.66 6.28 1.70 -1.26 -4.90 118.95 119.94 3gxm s ARG 131 Ca 0.30 -0.13 -0.11 0.00 -0.47 0.00 0.00 55.73 55.31 3gxm s ARG 131 Cb 0.20 0.39 -0.01 0.00 -0.57 0.00 0.00 34.95 34.96 3gxm s ARG 131 CO 0.46 -0.27 1.05 0.95 -1.08 0.00 0.00 175.30 176.41 3gxm s THR 132 N -1.70 4.22 0.00 4.99 -4.23 -1.26 -4.81 115.64 112.85 3gxm s THR 132 Ca -0.10 0.76 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 3gxm s THR 132 Cb -0.02 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 70.28 3gxm s THR 132 CO 0.03 -0.91 0.00 0.00 -0.54 0.00 0.00 174.62 173.21 3gxm n TYR 133 N -2.88 0.00 -4.48 3.99 0.18 -1.26 -5.01 117.16 107.69 3gxm n TYR 133 Ca 0.07 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.60 3gxm n TYR 133 Cb 0.54 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.42 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 -0.82 0.00 1.34 -3.48 -2.24 -1.26 -3.06 114.28 104.76 3gxm n THR 134 Ca 0.00 -2.37 0.14 0.00 -2.27 0.00 0.00 64.05 59.55 3gxm n THR 134 Cb 0.00 0.88 0.60 0.00 -2.10 0.00 0.00 70.33 69.71 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 -0.89 0.00 -3.12 4.78 0.53 -1.26 -4.41 117.16 112.78 3gxm n TYR 135 Ca -0.05 0.00 -0.21 0.00 -1.02 0.00 0.00 57.90 56.62 3gxm n TYR 135 Cb 0.61 -0.23 -0.05 0.00 -1.03 0.00 0.00 39.34 38.64 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 -1.08 1.70 0.15 -0.72 0.00 -1.26 -0.98 120.51 118.31 3gxm n ALA 136 Ca 0.13 -2.98 0.09 0.00 0.00 0.00 0.00 53.44 50.68 3gxm n ALA 136 Cb 0.28 -0.91 0.06 0.00 0.00 0.00 0.00 19.45 18.88 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 4.13 0.00 -2.65 0.00 3.32 -1.90 -3.43 116.42 115.89 3gxm h ASP 137 Ca 0.04 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.53 3gxm h ASP 137 Cb 0.91 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 3gxm h ASP 137 CO 0.42 0.14 1.19 -0.89 -1.72 0.00 0.00 179.24 178.38 3gxm s THR 138 N -3.20 3.55 0.69 0.35 2.01 -1.26 -4.95 115.64 112.84 3gxm s THR 138 Ca 0.03 0.62 -0.16 0.00 0.31 0.00 0.00 61.69 62.48 3gxm s THR 138 Cb 0.07 -3.58 -0.00 0.00 0.01 0.00 0.00 72.50 69.00 3gxm s THR 138 CO 0.74 -0.26 1.01 -2.65 -0.69 0.00 0.00 174.62 172.78 3gxm n PRO 139 N 7.83 0.64 -3.76 4.92 -0.02 -1.26 -3.89 135.00 139.46 3gxm n PRO 139 Ca 0.20 0.27 -0.33 0.00 -2.02 0.00 0.00 63.50 61.62 3gxm n PRO 139 Cb 0.45 -2.26 0.03 0.00 -0.02 0.00 0.00 33.50 31.71 3gxm n PRO 139 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3gxm n ASP 140 N -1.60 -4.69 -3.07 2.55 8.00 -1.26 -4.93 116.55 111.55 3gxm n ASP 140 Ca 0.14 -1.06 -0.26 0.00 0.71 0.00 0.00 54.79 54.31 3gxm n ASP 140 Cb 0.49 -3.11 -0.05 0.00 -0.02 0.00 0.00 41.12 38.43 3gxm n ASP 140 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gxm n ASP 141 N -2.63 4.08 0.18 -2.24 2.03 -1.25 -4.91 116.55 111.80 3gxm n ASP 141 Ca -0.12 -3.58 0.12 0.00 0.52 0.00 0.00 54.79 51.73 3gxm n ASP 141 Cb 0.60 -0.59 0.63 0.00 -0.72 0.00 0.00 41.12 41.04 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 3.28 0.00 -0.02 -0.67 -1.00 -1.93 0.49 116.94 117.08 3gxm h PHE 142 Ca 0.14 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.92 3gxm h PHE 142 Cb 0.57 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.13 3gxm h PHE 142 CO 0.79 0.00 -0.15 1.04 -1.61 0.00 0.00 178.31 178.38 3gxm n GLN 143 N -2.34 1.94 -3.99 1.51 1.13 -1.26 -4.68 117.38 109.69 3gxm n GLN 143 Ca -0.01 -1.59 -0.33 0.00 -1.94 0.00 0.00 57.00 53.14 3gxm n GLN 143 Cb 0.06 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 28.93 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 0.86 -1.69 0.08 1.08 4.77 0.17 -4.87 117.00 117.40 3gxm n LEU 144 Ca 0.13 -1.13 -0.09 0.00 -0.03 0.00 0.00 56.01 54.89 3gxm n LEU 144 Cb 0.55 -2.01 -0.04 0.00 -2.33 0.00 0.00 43.42 39.59 3gxm n LEU 144 CO 0.19 0.53 0.19 0.45 -1.33 0.00 0.00 177.39 177.43 3gxm h HIS 145 N -2.02 0.27 -0.00 -1.77 3.86 -1.95 -3.29 115.15 110.25 3gxm h HIS 145 Ca -0.66 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 58.38 3gxm h HIS 145 Cb 1.38 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.83 3gxm h HIS 145 CO 0.43 1.02 -0.03 0.09 0.86 0.00 0.00 177.93 180.30 3gxm n ASN 146 N -3.59 0.40 -4.67 2.45 4.13 -1.26 -4.90 115.26 107.81 3gxm n ASN 146 Ca -0.04 -0.89 -0.48 0.00 1.68 0.00 0.00 54.58 54.85 3gxm n ASN 146 Cb 0.86 -0.05 -0.05 0.00 -1.54 0.00 0.00 39.78 39.00 3gxm n ASN 146 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3gxm n PHE 147 N -0.80 2.27 -3.77 3.10 7.35 -1.24 -4.79 117.46 119.57 3gxm n PHE 147 Ca 0.20 0.14 -0.09 0.00 -0.76 0.00 0.00 57.45 56.94 3gxm n PHE 147 Cb 0.21 -2.60 -0.04 0.00 0.35 0.00 0.00 39.48 37.41 3gxm n PHE 147 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3gxm s SER 148 N 2.71 -0.26 -0.12 -2.13 1.04 -0.16 -5.03 113.70 109.76 3gxm s SER 148 Ca 0.87 -0.52 -0.26 0.00 0.48 0.00 0.00 55.95 56.53 3gxm s SER 148 Cb -0.71 0.60 -0.02 0.00 0.10 0.00 0.00 66.02 65.99 3gxm s SER 148 CO 0.47 -1.10 0.84 -0.76 0.98 0.00 0.00 173.24 173.67 3gxm s LEU 149 N -2.89 4.24 0.00 2.42 1.43 -1.26 -4.49 118.68 118.13 3gxm s LEU 149 Ca 0.10 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 3gxm s LEU 149 Cb -0.02 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.92 3gxm s LEU 149 CO -0.01 -0.33 0.00 -0.81 0.23 0.00 0.00 176.35 175.43 3gxm n PRO 150 N 4.75 0.06 0.15 1.29 -0.04 -1.26 -4.74 135.00 135.21 3gxm n PRO 150 Ca 0.04 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.51 3gxm n PRO 150 Cb 0.50 0.00 0.22 0.00 -0.04 0.00 0.00 33.50 34.17 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 0.00 -1.00 0.54 4.81 -1.98 -2.13 114.58 114.82 3gxm h GLU 151 Ca 0.00 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 3gxm h GLU 151 Cb 0.00 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.30 3gxm h GLU 151 CO 0.00 0.54 0.64 0.93 -0.73 0.00 0.00 179.01 180.39 3gxm h GLU 152 N 0.00 1.03 0.00 1.92 3.07 -1.96 0.31 114.58 118.95 3gxm h GLU 152 Ca -0.01 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3gxm h GLU 152 Cb 1.04 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 3gxm h GLU 152 CO 0.07 0.68 -0.03 -0.44 -1.40 0.00 0.00 179.01 177.89 3gxm h ASP 153 N 1.06 0.00 0.60 1.42 3.32 -1.87 -1.60 116.42 119.35 3gxm h ASP 153 Ca 0.47 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.48 3gxm h ASP 153 Cb 0.37 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3gxm h ASP 153 CO -0.23 0.38 -0.18 0.71 -1.72 0.00 0.00 179.24 178.19 3gxm h THR 154 N -0.73 0.60 0.00 0.35 1.35 -1.39 0.79 112.91 113.89 3gxm h THR 154 Ca 0.00 -0.84 -0.36 0.00 -0.55 0.00 0.00 66.41 64.66 3gxm h THR 154 Cb 0.03 1.55 -0.06 0.00 -1.73 0.00 0.00 68.15 67.94 3gxm h THR 154 CO 0.00 0.18 -2.34 1.17 -0.25 0.00 0.00 175.52 174.28 3gxm n LYS 155 N -3.55 0.57 0.00 4.72 4.81 0.11 -4.61 118.16 120.21 3gxm n LYS 155 Ca -0.01 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 3gxm n LYS 155 Cb 0.33 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 33.93 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 0.07 -0.11 3.14 4.77 -1.08 -4.61 117.00 115.85 3gxm n LEU 156 Ca -0.42 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.47 3gxm n LEU 156 Cb 0.92 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.88 3gxm n LEU 156 CO 0.20 -0.11 0.62 0.11 -1.33 0.00 0.00 177.39 176.88 3gxm h LYS 157 N 0.00 -0.28 -0.06 3.23 1.57 -1.34 -2.96 116.57 116.73 3gxm h LYS 157 Ca 0.00 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3gxm h LYS 157 Cb 0.00 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3gxm h LYS 157 CO 0.00 -0.18 -0.00 0.82 -0.57 0.00 0.00 179.45 179.51 3gxm h ILE 158 N -0.29 0.96 -0.11 1.86 2.04 -1.07 -1.61 117.51 119.29 3gxm h ILE 158 Ca 0.16 -0.01 -0.09 0.00 1.00 0.00 0.00 64.86 65.92 3gxm h ILE 158 Cb 0.56 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3gxm h ILE 158 CO -0.54 0.00 -0.33 -0.65 0.00 0.00 0.00 178.15 176.64 3gxm h PRO 159 N 0.02 0.22 -0.60 2.37 0.11 -1.79 -0.95 132.00 131.37 3gxm h PRO 159 Ca 0.03 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 3gxm h PRO 159 Cb 0.03 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.10 3gxm h PRO 159 CO -0.05 0.53 0.24 -0.07 -0.21 0.00 0.00 178.00 178.44 3gxm h LEU 160 N 0.19 0.83 -0.04 2.35 3.38 -1.32 -1.00 115.31 119.71 3gxm h LEU 160 Ca 0.02 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3gxm h LEU 160 Cb 0.68 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3gxm h LEU 160 CO 0.05 0.78 0.02 0.40 0.09 0.00 0.00 178.44 179.78 3gxm h ILE 161 N 0.84 1.05 -1.00 1.22 2.04 -1.05 0.29 117.51 120.89 3gxm h ILE 161 Ca 0.20 -0.14 0.19 0.00 1.00 0.00 0.00 64.86 66.12 3gxm h ILE 161 Cb 0.21 1.07 -0.11 0.00 -0.74 0.00 0.00 36.82 37.25 3gxm h ILE 161 CO -0.02 0.04 0.61 0.45 0.00 0.00 0.00 178.15 179.24 3gxm h HIS 162 N 0.01 1.05 0.03 1.37 3.86 -0.96 -1.24 115.15 119.28 3gxm h HIS 162 Ca 0.01 0.03 -0.25 0.00 -1.16 0.00 0.00 60.37 59.01 3gxm h HIS 162 Cb 0.05 -0.32 0.02 0.00 1.06 0.00 0.00 27.41 28.22 3gxm h HIS 162 CO -0.06 0.23 -0.99 0.00 0.86 0.00 0.00 177.93 177.98 3gxm h ARG 163 N 0.75 0.62 -0.56 2.45 3.08 -0.84 -2.45 114.38 117.44 3gxm h ARG 163 Ca 0.58 -0.70 0.11 0.00 0.07 0.00 0.00 59.98 60.04 3gxm h ARG 163 Cb 0.92 0.21 -0.10 0.00 0.08 0.00 0.00 29.97 31.08 3gxm h ARG 163 CO -0.38 1.29 -0.03 0.00 -1.07 0.00 0.00 179.97 179.78 3gxm h ALA 164 N 0.35 0.50 0.00 0.04 0.00 0.15 -2.11 119.26 118.19 3gxm h ALA 164 Ca -0.13 0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3gxm h ALA 164 Cb 1.66 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 3gxm h ALA 164 CO 0.19 -0.40 -0.42 -0.07 0.00 0.00 0.00 179.25 178.55 3gxm h LEU 165 N 0.09 0.00 -0.42 0.00 3.38 -1.25 -2.36 115.31 114.74 3gxm h LEU 165 Ca 0.28 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 3gxm h LEU 165 Cb 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3gxm h LEU 165 CO -0.50 0.42 0.04 1.56 0.09 0.00 0.00 178.44 180.06 3gxm h GLN 166 N 0.00 0.71 0.00 1.13 4.20 -1.27 -3.20 115.11 116.68 3gxm h GLN 166 Ca -0.00 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.43 3gxm h GLN 166 Cb 1.13 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 3gxm h GLN 166 CO 0.06 0.76 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.57 3gxm h LEU 167 N 0.55 0.00 -9.51 1.46 3.38 -1.20 -3.44 115.31 106.55 3gxm h LEU 167 Ca 0.12 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.56 3gxm h LEU 167 Cb 0.41 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3gxm h LEU 167 CO 0.01 0.33 0.24 0.00 0.09 0.00 0.00 178.44 179.12 3gxm s ALA 168 N -4.14 3.30 -0.03 1.53 0.00 -0.90 -4.25 121.76 117.27 3gxm s ALA 168 Ca -0.02 0.39 -0.23 0.00 0.00 0.00 0.00 51.96 52.10 3gxm s ALA 168 Cb 0.14 -3.13 -0.23 0.00 0.00 0.00 0.00 23.12 19.90 3gxm s ALA 168 CO 0.70 -0.02 1.06 1.96 0.00 0.00 0.00 175.76 179.46 3gxm h GLN 169 N 5.93 0.25 -6.74 0.00 4.20 -1.87 -3.45 115.11 113.42 3gxm h GLN 169 Ca -0.43 -0.26 -0.52 0.00 0.06 0.00 0.00 58.65 57.50 3gxm h GLN 169 Cb 1.21 0.07 0.04 0.00 0.30 0.00 0.00 27.48 29.10 3gxm h GLN 169 CO 0.72 0.97 0.62 1.03 -0.67 0.00 0.00 178.83 181.50 3gxm s ARG 170 N -3.20 4.42 0.05 1.46 0.52 -1.26 -4.99 118.95 115.95 3gxm s ARG 170 Ca -0.15 2.06 -0.38 0.00 -0.52 0.00 0.00 55.73 56.74 3gxm s ARG 170 Cb 0.02 -3.16 -0.19 0.00 0.52 0.00 0.00 34.95 32.14 3gxm s ARG 170 CO 0.77 -0.17 1.10 -2.30 0.02 0.00 0.00 175.30 174.72 3gxm n PRO 171 N 1.99 0.38 -3.91 3.54 -0.01 -1.26 -4.95 135.00 130.77 3gxm n PRO 171 Ca 0.04 0.13 -0.35 0.00 -0.01 0.00 0.00 63.50 63.31 3gxm n PRO 171 Cb 0.43 -1.63 -0.08 0.00 -0.01 0.00 0.00 33.50 32.20 3gxm n PRO 171 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 3gxm s VAL 172 N 0.03 5.11 -0.23 -1.45 1.01 -1.26 -4.76 120.40 118.85 3gxm s VAL 172 Ca 0.86 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.83 3gxm s VAL 172 Cb -1.13 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 3gxm s VAL 172 CO 0.54 0.50 0.12 -0.44 0.00 0.00 0.00 175.10 175.81 3gxm s SER 173 N -0.02 5.77 -0.02 3.32 0.01 0.12 -4.98 113.70 117.89 3gxm s SER 173 Ca 0.08 0.03 -0.14 0.00 1.31 0.00 0.00 55.95 57.23 3gxm s SER 173 Cb -0.12 -2.03 -0.05 0.00 0.21 0.00 0.00 66.02 64.03 3gxm s SER 173 CO 0.00 0.07 0.38 -0.76 0.41 0.00 0.00 173.24 173.34 3gxm s LEU 174 N 1.04 4.46 -0.10 2.44 1.43 -1.26 -1.97 118.68 124.71 3gxm s LEU 174 Ca 0.06 0.90 0.01 0.00 -1.03 0.00 0.00 54.13 54.06 3gxm s LEU 174 Cb -0.14 -2.53 0.02 0.00 0.03 0.00 0.00 46.19 43.58 3gxm s LEU 174 CO 0.04 0.32 -0.10 -0.22 0.23 0.00 0.00 176.35 176.62 3gxm s LEU 175 N -0.99 1.41 -0.06 1.79 2.96 0.15 0.55 118.68 124.50 3gxm s LEU 175 Ca 0.23 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 53.79 3gxm s LEU 175 Cb -0.16 -0.87 -0.04 0.00 0.50 0.00 0.00 46.19 45.62 3gxm s LEU 175 CO 0.12 -0.05 0.07 0.00 -1.32 0.00 0.00 176.35 175.17 3gxm s ALA 176 N 1.28 3.57 -0.03 5.97 0.00 -0.48 0.66 121.76 132.72 3gxm s ALA 176 Ca -0.03 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 3gxm s ALA 176 Cb -0.14 -1.64 0.03 0.00 0.00 0.00 0.00 23.12 21.37 3gxm s ALA 176 CO -0.04 0.64 0.07 -1.12 0.00 0.00 0.00 175.76 175.31 3gxm s SER 177 N -1.31 0.00 0.26 0.00 0.01 -0.80 -0.76 113.70 111.10 3gxm s SER 177 Ca 0.18 0.12 -0.12 0.00 1.31 0.00 0.00 55.95 57.44 3gxm s SER 177 Cb -0.12 0.03 -0.08 0.00 0.21 0.00 0.00 66.02 66.06 3gxm s SER 177 CO 0.08 -0.12 0.62 -2.16 0.41 0.00 0.00 173.24 172.08 3gxm s PRO 178 N 0.97 3.90 -0.25 12.44 0.04 -1.26 -0.74 135.00 150.09 3gxm s PRO 178 Ca -0.08 0.45 -0.14 0.00 0.04 0.00 0.00 61.00 61.27 3gxm s PRO 178 Cb -0.11 -2.58 -0.10 0.00 0.04 0.00 0.00 34.50 31.75 3gxm s PRO 178 CO -0.03 0.26 -0.34 0.91 0.04 0.00 0.00 177.00 177.84 3gxm n TRP 179 N -0.16 0.00 -4.18 0.56 8.01 -1.26 -0.59 117.44 119.81 3gxm n TRP 179 Ca 0.01 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 56.05 3gxm n TRP 179 Cb 0.53 -0.86 -0.11 0.00 -2.01 0.00 0.00 31.31 28.85 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 -2.54 1.01 0.56 -0.99 -1.32 -1.26 -2.70 115.64 108.40 3gxm s THR 180 Ca -0.35 -1.58 -0.05 0.00 -1.21 0.00 0.00 61.69 58.50 3gxm s THR 180 Cb 0.12 -1.31 0.00 0.00 -1.51 0.00 0.00 72.50 69.80 3gxm s THR 180 CO 0.45 -0.49 0.85 -0.94 -2.21 0.00 0.00 174.62 172.28 3gxm s SER 181 N -2.32 5.68 0.28 8.08 1.04 -1.26 -4.97 113.70 120.23 3gxm s SER 181 Ca 0.04 0.64 -0.26 0.00 0.48 0.00 0.00 55.95 56.86 3gxm s SER 181 Cb -0.04 -1.70 -0.16 0.00 0.10 0.00 0.00 66.02 64.21 3gxm s SER 181 CO 0.01 -0.96 0.37 -2.65 0.98 0.00 0.00 173.24 170.99 3gxm n PRO 182 N -2.46 0.02 0.20 4.02 -0.02 -1.26 -4.88 135.00 130.62 3gxm n PRO 182 Ca 0.04 0.01 0.09 0.00 -2.02 0.00 0.00 63.50 61.61 3gxm n PRO 182 Cb 0.57 -1.01 0.20 0.00 -0.02 0.00 0.00 33.50 33.24 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 0.76 0.37 0.00 3.45 1.35 -1.87 -2.85 112.91 114.13 3gxm h THR 183 Ca -0.31 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 3gxm h THR 183 Cb 1.44 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.94 3gxm h THR 183 CO 0.53 0.20 0.00 -2.67 -0.25 0.00 0.00 175.52 173.33 3gxm n TRP 184 N -3.18 0.35 1.12 4.73 4.27 -1.26 -1.61 117.44 121.85 3gxm n TRP 184 Ca 0.03 0.12 0.13 0.00 -3.89 0.00 0.00 57.50 53.89 3gxm n TRP 184 Cb 0.57 -0.70 0.50 0.00 -1.36 0.00 0.00 31.31 30.32 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 -1.81 0.30 -4.90 5.67 4.77 -1.07 -4.91 117.00 115.05 3gxm n LEU 185 Ca 0.04 0.19 -0.27 0.00 -0.03 0.00 0.00 56.01 55.94 3gxm n LEU 185 Cb 0.25 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 40.98 3gxm n LEU 185 CO 0.20 0.07 -0.14 -0.54 -1.33 0.00 0.00 177.39 175.65 3gxm s LYS 186 N -2.84 3.30 0.02 3.23 1.02 -0.64 -1.67 119.74 122.17 3gxm s LYS 186 Ca 0.17 -0.63 -0.18 0.00 0.02 0.00 0.00 55.97 55.36 3gxm s LYS 186 Cb 0.19 -2.90 -0.10 0.00 -0.52 0.00 0.00 37.83 34.49 3gxm s LYS 186 CO 0.57 0.53 1.18 1.79 -0.92 0.00 0.00 175.35 178.50 3gxm h THR 187 N 1.85 0.00 0.00 2.17 1.35 -0.78 -3.22 112.91 114.28 3gxm h THR 187 Ca -0.48 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 3gxm h THR 187 Cb 1.19 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3gxm h THR 187 CO 0.69 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.50 3gxm n ASN 188 N -3.88 0.00 -2.36 5.36 6.94 -1.26 -4.87 115.26 115.19 3gxm n ASN 188 Ca -0.08 -0.46 -0.10 0.00 -0.02 0.00 0.00 54.58 53.92 3gxm n ASN 188 Cb 0.26 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.67 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 -0.19 -0.38 3.27 4.83 0.00 -1.22 -4.96 105.19 106.54 3gxm n GLY 189 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.45 1.60 0.08 4.61 0.00 -1.26 -4.87 121.76 119.48 3gxm s ALA 190 Ca 0.00 -1.41 0.11 0.00 0.00 0.00 0.00 51.96 50.65 3gxm s ALA 190 Cb 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.10 3gxm s ALA 190 CO 0.00 0.06 1.42 -0.39 0.00 0.00 0.00 175.76 176.84 3gxm h VAL 191 N 3.16 1.39 -3.39 0.00 -1.51 -1.92 -3.45 116.25 110.53 3gxm h VAL 191 Ca -0.39 -2.74 0.00 0.00 -1.23 0.00 0.00 66.70 62.34 3gxm h VAL 191 Cb 1.20 2.55 0.00 0.00 -2.13 0.00 0.00 31.29 32.91 3gxm h VAL 191 CO 0.56 0.74 0.00 -0.46 -1.23 0.00 0.00 177.57 177.18 3gxm n ASN 192 N -3.41 2.00 -0.42 4.19 6.94 -1.26 -2.67 115.26 120.63 3gxm n ASN 192 Ca 0.00 -0.39 0.06 0.00 -0.02 0.00 0.00 54.58 54.22 3gxm n ASN 192 Cb 0.80 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 38.20 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 4.99 -1.73 3.66 4.83 0.00 0.47 -4.81 105.19 112.59 3gxm n GLY 193 Ca 0.00 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.76 4.12 0.00 1.61 2.20 -1.20 -4.55 119.74 120.15 3gxm s LYS 194 Ca 0.00 2.14 0.00 0.00 -0.36 0.00 0.00 55.97 57.75 3gxm s LYS 194 Cb 0.00 -4.00 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 3gxm s LYS 194 CO 0.00 -0.92 0.00 0.41 -0.36 0.00 0.00 175.35 174.48 3gxm n GLY 195 N 4.23 1.98 0.00 5.54 0.00 -0.96 -4.57 105.19 111.41 3gxm n GLY 195 Ca 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3gxm n GLY 195 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gxm n SER 196 N 0.00 1.73 -4.80 1.61 7.64 -1.26 -0.72 113.62 117.83 3gxm n SER 196 Ca 0.00 -0.76 -0.32 0.00 1.01 0.00 0.00 58.87 58.80 3gxm n SER 196 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 3gxm n SER 196 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gxm s LEU 197 N 0.00 3.37 0.03 -3.43 1.43 -1.26 -0.15 118.68 118.67 3gxm s LEU 197 Ca 0.00 1.82 -0.30 0.00 -1.03 0.00 0.00 54.13 54.62 3gxm s LEU 197 Cb 0.00 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 3gxm s LEU 197 CO 0.00 -1.38 0.99 -0.54 0.23 0.00 0.00 176.35 175.65 3gxm s LYS 198 N -4.33 4.59 6.15 1.70 1.02 -0.67 -4.52 119.74 123.67 3gxm s LYS 198 Ca 0.63 1.45 0.00 0.00 0.02 0.00 0.00 55.97 58.07 3gxm s LYS 198 Cb -0.17 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 3gxm s LYS 198 CO 0.43 0.00 0.00 0.41 -0.92 0.00 0.00 175.35 175.27 3gxm n GLY 199 N 2.75 0.76 3.01 -3.33 0.00 -1.26 -4.59 105.19 102.53 3gxm n GLY 199 Ca 0.05 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.28 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 0.58 0.19 1.61 -2.07 -1.26 -5.08 119.66 113.63 3gxm s GLN 200 Ca 0.00 -0.38 -0.30 0.00 -1.82 0.00 0.00 55.36 52.85 3gxm s GLN 200 Cb 0.00 -0.53 -0.17 0.00 -1.09 0.00 0.00 33.01 31.22 3gxm s GLN 200 CO 0.00 0.14 0.79 -2.30 -1.32 0.00 0.00 175.29 172.60 3gxm n PRO 201 N 2.56 0.46 0.00 9.60 -0.02 -1.26 -0.07 135.00 146.27 3gxm n PRO 201 Ca -0.15 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3gxm n PRO 201 Cb 0.57 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 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 1.78 2.85 1.08 -1.23 0.00 -1.26 -5.02 105.19 103.39 3gxm n GLY 202 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 0.34 -1.62 0.12 1.61 5.68 0.89 -4.75 116.55 118.83 3gxm n ASP 203 Ca 0.00 -0.62 -0.02 0.00 -0.50 0.00 0.00 54.79 53.65 3gxm n ASP 203 Cb 0.00 -0.32 0.19 0.00 -1.14 0.00 0.00 41.12 39.85 3gxm n ASP 203 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3gxm h ILE 204 N -2.02 1.38 0.05 2.12 2.10 -1.92 -2.64 117.51 116.57 3gxm h ILE 204 Ca -0.13 -1.85 -0.00 0.00 1.08 0.00 0.00 64.86 63.96 3gxm h ILE 204 Cb 0.40 1.95 0.00 0.00 -1.09 0.00 0.00 36.82 38.08 3gxm h ILE 204 CO 0.08 0.54 -0.02 1.88 -1.08 0.00 0.00 178.15 179.55 3gxm h TYR 205 N 0.10 -0.06 -0.48 2.19 -1.99 -1.91 -2.88 116.97 111.94 3gxm h TYR 205 Ca -0.00 -0.00 0.14 0.00 2.00 0.00 0.00 58.73 60.87 3gxm h TYR 205 Cb 0.99 0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.72 3gxm h TYR 205 CO 0.01 0.45 0.39 0.45 -0.00 0.00 0.00 178.16 179.46 3gxm h HIS 206 N -0.96 0.00 0.20 4.88 3.86 -1.81 -0.83 115.15 120.49 3gxm h HIS 206 Ca -0.01 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.89 3gxm h HIS 206 Cb 0.54 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.03 3gxm h HIS 206 CO 0.13 0.00 -1.37 1.96 0.86 0.00 0.00 177.93 179.51 3gxm h GLN 207 N 0.00 0.45 -0.34 2.45 1.08 -1.56 -2.90 115.11 114.29 3gxm h GLN 207 Ca 0.23 -0.75 -0.11 0.00 -1.45 0.00 0.00 58.65 56.57 3gxm h GLN 207 Cb 1.00 0.28 -0.01 0.00 -0.05 0.00 0.00 27.48 28.69 3gxm h GLN 207 CO -0.00 1.35 -0.25 1.15 -0.95 0.00 0.00 178.83 180.13 3gxm h THR 208 N 0.13 1.27 0.10 -0.54 2.02 -1.06 -1.20 112.91 113.63 3gxm h THR 208 Ca -0.20 -1.34 -0.00 0.00 0.77 0.00 0.00 66.41 65.63 3gxm h THR 208 Cb 2.07 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 3gxm h THR 208 CO 0.25 0.44 -0.05 -0.25 0.37 0.00 0.00 175.52 176.28 3gxm h TRP 209 N 0.59 -0.12 -0.73 3.16 -0.00 -1.29 -0.42 115.95 117.14 3gxm h TRP 209 Ca 0.08 -0.00 0.10 0.00 -0.00 0.00 0.00 58.89 59.07 3gxm h TRP 209 Cb 0.73 0.04 -0.07 0.00 -0.00 0.00 0.00 29.16 29.86 3gxm h TRP 209 CO 0.03 0.04 0.37 0.00 -0.00 0.00 0.00 178.44 178.88 3gxm h ALA 210 N 0.63 1.02 0.00 2.65 0.00 -1.42 -0.76 119.26 121.38 3gxm h ALA 210 Ca -0.01 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3gxm h ALA 210 Cb 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3gxm h ALA 210 CO 0.02 -0.05 -0.25 -0.09 0.00 0.00 0.00 179.25 178.89 3gxm h ARG 211 N 0.61 0.00 -0.57 0.00 2.43 -0.97 -2.74 114.38 113.14 3gxm h ARG 211 Ca 0.36 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.56 3gxm h ARG 211 Cb 0.40 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 3gxm h ARG 211 CO -0.28 0.25 0.35 -0.92 -1.51 0.00 0.00 179.97 177.86 3gxm h TYR 212 N 0.00 0.67 -0.74 2.20 3.20 0.47 0.18 116.97 122.94 3gxm h TYR 212 Ca -0.00 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.96 3gxm h TYR 212 Cb 0.50 -0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.49 3gxm h TYR 212 CO 0.00 0.39 0.41 0.74 -1.64 0.00 0.00 178.16 178.05 3gxm h PHE 213 N 0.71 0.74 -0.33 -3.82 -1.00 -1.33 0.31 116.94 112.21 3gxm h PHE 213 Ca 0.23 0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.98 3gxm h PHE 213 Cb 0.00 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.33 3gxm h PHE 213 CO -0.05 0.32 -0.01 0.28 -1.61 0.00 0.00 178.31 177.23 3gxm h VAL 214 N 0.71 1.26 -0.43 -0.55 2.07 -1.29 -0.44 116.25 117.59 3gxm h VAL 214 Ca 0.35 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.89 3gxm h VAL 214 Cb 0.28 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3gxm h VAL 214 CO -0.22 0.33 0.26 0.11 0.02 0.00 0.00 177.57 178.06 3gxm h LYS 215 N 0.40 0.51 -0.24 1.57 1.79 -0.07 0.11 116.57 120.65 3gxm h LYS 215 Ca 0.09 -0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.58 3gxm h LYS 215 Cb 0.47 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.95 3gxm h LYS 215 CO 0.02 0.34 -0.09 0.35 -1.08 0.00 0.00 179.45 178.99 3gxm h PHE 216 N 0.53 -0.21 -0.81 -1.35 3.57 -0.28 -1.09 116.94 117.30 3gxm h PHE 216 Ca 0.17 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 3gxm h PHE 216 Cb -0.01 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 3gxm h PHE 216 CO -0.07 -0.15 0.38 -0.07 -2.23 0.00 0.00 178.31 176.17 3gxm h LEU 217 N -0.05 1.08 -0.12 0.59 3.38 -0.73 -2.07 115.31 117.40 3gxm h LEU 217 Ca 0.12 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3gxm h LEU 217 Cb 0.24 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3gxm h LEU 217 CO -0.27 0.92 0.04 0.44 0.09 0.00 0.00 178.44 179.66 3gxm h ASP 218 N 1.16 0.05 -0.63 -0.43 3.32 -0.69 -1.73 116.42 117.48 3gxm h ASP 218 Ca 0.28 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 3gxm h ASP 218 Cb 0.14 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 3gxm h ASP 218 CO -0.03 0.05 0.27 0.00 -1.72 0.00 0.00 179.24 177.80 3gxm h ALA 219 N 1.07 0.81 -0.34 3.45 0.00 -1.03 -1.04 119.26 122.19 3gxm h ALA 219 Ca 0.05 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3gxm h ALA 219 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3gxm h ALA 219 CO -0.05 0.42 -0.20 1.88 0.00 0.00 0.00 179.25 181.30 3gxm h TYR 220 N 0.87 0.71 -0.71 0.00 -1.99 -1.36 -2.97 116.97 111.52 3gxm h TYR 220 Ca 0.21 -0.15 -0.02 0.00 2.00 0.00 0.00 58.73 60.78 3gxm h TYR 220 Cb 0.18 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.70 3gxm h TYR 220 CO 0.01 0.79 0.38 0.00 -0.00 0.00 0.00 178.16 179.34 3gxm h ALA 221 N 1.21 1.33 -0.09 3.88 0.00 -0.76 -0.74 119.26 124.10 3gxm h ALA 221 Ca 0.09 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3gxm h ALA 221 Cb 0.66 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3gxm h ALA 221 CO 0.05 0.54 0.08 0.93 0.00 0.00 0.00 179.25 180.85 3gxm h GLU 222 N 0.99 0.00 -0.64 0.00 5.08 -1.04 0.13 114.58 119.11 3gxm h GLU 222 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3gxm h GLU 222 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3gxm h GLU 222 CO -0.04 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.69 3gxm n HIS 223 N -4.05 1.28 -3.04 4.33 8.25 -0.62 -4.94 115.22 116.43 3gxm n HIS 223 Ca -0.01 -0.50 -0.18 0.00 -0.26 0.00 0.00 57.72 56.77 3gxm n HIS 223 Cb 0.19 -0.23 0.04 0.00 1.12 0.00 0.00 29.99 31.11 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 0.89 -4.74 -5.09 -0.41 4.76 0.47 -5.02 118.16 109.03 3gxm n LYS 224 Ca 0.22 0.69 -0.30 0.00 -2.87 0.00 0.00 58.31 56.05 3gxm n LYS 224 Cb 0.78 -5.15 -0.17 0.00 -1.84 0.00 0.00 35.03 28.65 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 -5.54 2.00 -0.01 -0.35 1.43 -0.38 -4.98 118.68 110.85 3gxm s LEU 225 Ca 0.32 -0.47 0.06 0.00 -1.03 0.00 0.00 54.13 53.01 3gxm s LEU 225 Cb -0.14 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 3gxm s LEU 225 CO 0.40 0.18 -0.19 -1.10 0.23 0.00 0.00 176.35 175.86 3gxm s GLN 226 N 0.13 2.22 -0.01 1.70 -1.52 -1.26 -2.78 119.66 118.13 3gxm s GLN 226 Ca -0.10 -0.87 -0.07 0.00 -1.95 0.00 0.00 55.36 52.37 3gxm s GLN 226 Cb -0.15 -2.21 -0.05 0.00 -0.22 0.00 0.00 33.01 30.39 3gxm s GLN 226 CO 0.05 0.57 0.26 -0.06 -0.25 0.00 0.00 175.29 175.86 3gxm s PHE 227 N -0.77 3.59 0.03 0.91 0.40 -1.26 -4.43 117.98 116.44 3gxm s PHE 227 Ca 0.12 0.58 -0.18 0.00 -0.60 0.00 0.00 56.93 56.86 3gxm s PHE 227 Cb -0.10 -2.00 -0.23 0.00 0.51 0.00 0.00 43.02 41.20 3gxm s PHE 227 CO 0.02 0.63 1.14 2.35 0.70 0.00 0.00 175.22 180.06 3gxm h TRP 228 N 4.15 0.76 -3.01 0.36 7.01 -0.23 -3.43 115.95 121.56 3gxm h TRP 228 Ca -0.51 -0.40 -0.02 0.00 2.11 0.00 0.00 58.89 60.07 3gxm h TRP 228 Cb 1.20 -0.09 -0.12 0.00 -2.10 0.00 0.00 29.16 28.05 3gxm h TRP 228 CO 0.69 1.23 0.19 0.00 -2.79 0.00 0.00 178.44 177.76 3gxm s ALA 229 N -3.28 -1.56 0.07 2.65 0.00 -1.03 -1.32 121.76 117.29 3gxm s ALA 229 Ca -0.12 0.47 0.06 0.00 0.00 0.00 0.00 51.96 52.37 3gxm s ALA 229 Cb 0.05 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 3gxm s ALA 229 CO 0.85 -0.76 -0.16 0.14 0.00 0.00 0.00 175.76 175.84 3gxm s VAL 230 N -3.71 1.24 0.19 0.00 -7.23 -0.07 -1.38 120.40 109.43 3gxm s VAL 230 Ca 0.01 -1.31 -0.07 0.00 -1.81 0.00 0.00 61.98 58.80 3gxm s VAL 230 Cb -0.01 -1.16 -0.06 0.00 0.56 0.00 0.00 36.38 35.71 3gxm s VAL 230 CO -0.13 -0.16 0.47 0.42 -0.31 0.00 0.00 175.10 175.39 3gxm s THR 231 N -1.19 5.05 0.27 5.32 -4.23 0.06 -0.75 115.64 120.16 3gxm s THR 231 Ca 0.00 0.23 0.23 0.00 -1.18 0.00 0.00 61.69 60.97 3gxm s THR 231 Cb -0.10 -3.63 0.22 0.00 1.34 0.00 0.00 72.50 70.33 3gxm s THR 231 CO 0.02 -0.04 1.89 0.00 -0.54 0.00 0.00 174.62 175.96 3gxm h ALA 232 N 2.60 1.15 -1.09 3.99 0.00 -1.74 -3.41 119.26 120.75 3gxm h ALA 232 Ca -0.46 -0.22 0.21 0.00 0.00 0.00 0.00 54.91 54.44 3gxm h ALA 232 Cb 1.17 -0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.62 3gxm h ALA 232 CO 0.70 0.30 0.89 -2.00 0.00 0.00 0.00 179.25 179.14 3gxm s GLU 233 N -3.89 0.09 -0.14 0.00 2.56 -1.26 -4.89 118.70 111.17 3gxm s GLU 233 Ca -0.01 0.06 -0.29 0.00 0.00 0.00 0.00 54.97 54.73 3gxm s GLU 233 Cb 0.12 0.04 -0.01 0.00 2.00 0.00 0.00 34.13 36.28 3gxm s GLU 233 CO 0.64 -0.02 1.11 1.21 -0.56 0.00 0.00 175.26 177.63 3gxm s ASN 234 N -0.48 7.11 -1.01 -1.70 2.47 0.24 -4.39 114.94 117.18 3gxm s ASN 234 Ca 0.08 1.58 -0.15 0.00 0.42 0.00 0.00 52.86 54.79 3gxm s ASN 234 Cb -0.03 -2.55 0.01 0.00 -1.45 0.00 0.00 41.25 37.23 3gxm s ASN 234 CO -0.11 -0.60 0.70 -0.62 -3.72 0.00 0.00 177.10 172.75 3gxm n GLU 235 N 5.71 -1.11 0.27 0.43 1.02 0.64 -4.75 120.64 122.85 3gxm n GLU 235 Ca 0.11 0.59 0.13 0.00 -0.02 0.00 0.00 57.16 57.97 3gxm n GLU 235 Cb 0.47 -3.44 0.75 0.00 -0.02 0.00 0.00 31.44 29.20 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 -1.28 0.00 0.00 3.49 0.13 -1.77 -1.80 132.00 130.77 3gxm h PRO 236 Ca -0.58 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 3gxm h PRO 236 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3gxm h PRO 236 CO 0.43 0.10 0.00 0.66 -0.23 0.00 0.00 178.00 178.97 3gxm h SER 237 N 0.00 0.00 -0.28 1.44 4.64 -1.87 -2.44 113.55 115.03 3gxm h SER 237 Ca -0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3gxm h SER 237 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3gxm h SER 237 CO 0.01 0.00 -0.41 0.00 -0.87 0.00 0.00 176.83 175.57 3gxm h ALA 238 N 2.20 0.42 -0.09 5.18 0.00 -1.67 -3.23 119.26 122.07 3gxm h ALA 238 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3gxm h ALA 238 Cb 0.43 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3gxm h ALA 238 CO 0.00 0.53 0.06 0.41 0.00 0.00 0.00 179.25 180.25 3gxm n GLY 239 N 0.29 2.19 0.00 0.00 0.00 -1.20 -2.09 105.19 104.38 3gxm n GLY 239 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.33 0.77 -4.68 0.99 4.77 -1.22 -2.28 117.00 115.70 3gxm n LEU 240 Ca 0.05 -0.84 -0.35 0.00 -0.03 0.00 0.00 56.01 54.84 3gxm n LEU 240 Cb 0.59 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.59 3gxm n LEU 240 CO 0.05 0.19 -0.20 -0.76 -1.33 0.00 0.00 177.39 175.35 3gxm s LEU 241 N -0.27 4.06 0.00 2.23 1.43 -0.89 -4.95 118.68 120.30 3gxm s LEU 241 Ca 0.00 0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 52.94 3gxm s LEU 241 Cb 0.00 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 3gxm s LEU 241 CO 0.00 0.14 1.26 -0.94 0.23 0.00 0.00 176.35 177.03 3gxm s SER 242 N 0.60 7.00 -1.26 2.29 1.04 -1.26 -2.70 113.70 119.41 3gxm s SER 242 Ca 0.07 1.98 -0.03 0.00 0.48 0.00 0.00 55.95 58.44 3gxm s SER 242 Cb -0.12 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.42 3gxm s SER 242 CO 0.01 -0.58 0.74 0.61 0.98 0.00 0.00 173.24 175.00 3gxm n GLY 243 N 3.39 -0.46 3.74 7.32 0.00 -1.26 -4.79 105.19 113.13 3gxm n GLY 243 Ca 0.11 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 3gxm n GLY 243 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gxm s TYR 244 N -3.61 3.18 0.01 1.61 5.04 -1.10 -4.77 117.35 117.71 3gxm s TYR 244 Ca 0.10 1.17 0.17 0.00 -2.44 0.00 0.00 57.07 56.07 3gxm s TYR 244 Cb -0.03 -3.67 0.35 0.00 0.35 0.00 0.00 41.96 38.96 3gxm s TYR 244 CO 0.81 -2.12 1.58 -1.00 -1.34 0.00 0.00 175.55 173.48 3gxm h PRO 245 N 5.18 0.00 -6.47 4.97 0.13 -1.93 0.13 132.00 134.01 3gxm h PRO 245 Ca -0.45 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.21 3gxm h PRO 245 Cb 1.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 3gxm h PRO 245 CO 0.77 0.46 -0.23 -0.06 -0.23 0.00 0.00 178.00 178.71 3gxm s PHE 246 N -3.25 3.44 -0.25 1.56 2.99 -1.26 -4.80 117.98 116.41 3gxm s PHE 246 Ca 0.02 0.23 -0.40 0.00 0.00 0.00 0.00 56.93 56.78 3gxm s PHE 246 Cb 0.09 -1.89 -0.16 0.00 0.00 0.00 0.00 43.02 41.06 3gxm s PHE 246 CO 0.72 0.12 1.68 1.04 -0.00 0.00 0.00 175.22 178.78 3gxm n GLN 247 N -1.74 1.05 -3.91 0.44 3.00 -1.26 -4.29 117.38 110.67 3gxm n GLN 247 Ca -0.05 0.39 -0.10 0.00 -0.01 0.00 0.00 57.00 57.23 3gxm n GLN 247 Cb 0.57 -2.05 -0.06 0.00 0.00 0.00 0.00 30.24 28.70 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 -2.95 -0.59 -0.03 0.00 2.96 -1.10 -4.48 118.68 112.50 3gxm s LEU 249 Ca 0.16 0.09 -0.30 0.00 -0.22 0.00 0.00 54.13 53.85 3gxm s LEU 249 Cb 0.02 1.03 -0.04 0.00 0.50 0.00 0.00 46.19 47.69 3gxm s LEU 249 CO 0.00 -0.31 1.31 -0.83 -1.32 0.00 0.00 176.35 175.21 3gxm s GLY 250 N 2.52 1.96 -0.03 7.98 0.00 0.10 -4.60 107.32 115.24 3gxm s GLY 250 Ca 0.12 0.76 0.04 0.00 0.00 0.00 0.00 44.72 45.64 3gxm s GLY 250 CO -0.18 2.39 -0.13 -1.36 0.00 0.00 0.00 173.10 173.82 3gxm s PHE 251 N 2.34 1.29 0.61 1.90 0.40 -0.92 -4.39 117.98 119.22 3gxm s PHE 251 Ca 0.60 -0.32 -0.10 0.00 -0.60 0.00 0.00 56.93 56.51 3gxm s PHE 251 Cb -0.28 -0.88 -0.03 0.00 0.51 0.00 0.00 43.02 42.34 3gxm s PHE 251 CO 0.24 -0.10 1.01 0.95 0.70 0.00 0.00 175.22 178.01 3gxm s THR 252 N 0.02 4.52 0.23 0.64 -4.23 -1.26 -4.13 115.64 111.43 3gxm s THR 252 Ca -0.01 0.71 -0.06 0.00 -1.18 0.00 0.00 61.69 61.15 3gxm s THR 252 Cb -0.09 -3.80 0.19 0.00 1.34 0.00 0.00 72.50 70.15 3gxm s THR 252 CO 0.01 -1.01 1.75 -0.65 -0.54 0.00 0.00 174.62 174.18 3gxm h PRO 253 N -0.30 0.51 -0.51 3.99 0.11 -1.98 0.15 132.00 133.96 3gxm h PRO 253 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3gxm h PRO 253 Cb 1.20 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3gxm h PRO 253 CO 0.62 0.34 0.22 0.93 -0.21 0.00 0.00 178.00 179.90 3gxm h GLU 254 N 0.52 0.73 -0.06 1.05 3.07 -1.93 -0.14 114.58 117.81 3gxm h GLU 254 Ca 0.38 -0.10 -0.17 0.00 -0.50 0.00 0.00 59.36 58.98 3gxm h GLU 254 Cb 0.49 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 28.28 3gxm h GLU 254 CO -0.33 0.59 -0.61 1.25 -1.40 0.00 0.00 179.01 178.50 3gxm h HIS 255 N 0.72 0.73 -0.29 4.33 2.76 -1.60 -2.04 115.15 119.77 3gxm h HIS 255 Ca 0.18 -0.36 0.04 0.00 -2.20 0.00 0.00 60.37 58.04 3gxm h HIS 255 Cb 0.12 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 28.94 3gxm h HIS 255 CO 0.01 1.16 0.04 0.37 -1.30 0.00 0.00 177.93 178.20 3gxm h GLN 256 N 0.10 0.13 -0.30 5.26 4.15 -0.45 0.42 115.11 124.42 3gxm h GLN 256 Ca -0.06 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.42 3gxm h GLN 256 Cb 1.28 -0.03 -0.08 0.00 0.21 0.00 0.00 27.48 28.86 3gxm h GLN 256 CO 0.12 0.09 -0.24 -0.09 -1.93 0.00 0.00 178.83 176.78 3gxm h ARG 257 N 0.14 -0.21 -0.41 1.69 2.43 -0.99 0.36 114.38 117.39 3gxm h ARG 257 Ca 0.14 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.17 3gxm h ARG 257 Cb 0.16 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3gxm h ARG 257 CO -0.20 -0.14 -0.35 -0.44 -1.51 0.00 0.00 179.97 177.33 3gxm h ASP 258 N -0.22 1.00 -0.79 -3.80 3.32 -1.08 0.16 116.42 115.02 3gxm h ASP 258 Ca 0.16 -0.44 0.01 0.00 0.02 0.00 0.00 57.03 56.77 3gxm h ASP 258 Cb 0.46 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 3gxm h ASP 258 CO -0.43 1.24 0.52 0.15 -1.72 0.00 0.00 179.24 179.00 3gxm h PHE 259 N 0.78 0.99 0.20 4.55 3.57 -0.64 0.49 116.94 126.88 3gxm h PHE 259 Ca 0.07 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3gxm h PHE 259 Cb 0.94 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.35 3gxm h PHE 259 CO 0.06 0.62 -0.10 0.82 -2.23 0.00 0.00 178.31 177.49 3gxm h ILE 260 N 1.07 0.89 0.12 1.41 2.04 -0.76 0.48 117.51 122.75 3gxm h ILE 260 Ca 0.29 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.69 3gxm h ILE 260 Cb -0.12 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 3gxm h ILE 260 CO -0.06 0.11 -0.40 0.00 0.00 0.00 0.00 178.15 177.79 3gxm h ALA 261 N 0.24 -0.71 0.16 1.87 0.00 -0.41 -0.15 119.26 120.27 3gxm h ALA 261 Ca -0.03 -0.07 -0.30 0.00 0.00 0.00 0.00 54.91 54.51 3gxm h ALA 261 Cb 0.38 0.67 0.01 0.00 0.00 0.00 0.00 17.79 18.85 3gxm h ALA 261 CO 0.04 -0.96 -1.41 0.00 0.00 0.00 0.00 179.25 176.92 3gxm h ARG 262 N -0.64 0.34 0.00 0.00 2.47 -0.12 -3.39 114.38 113.04 3gxm h ARG 262 Ca 0.02 -0.59 0.00 0.00 -1.26 0.00 0.00 59.98 58.16 3gxm h ARG 262 Cb 0.66 0.22 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 3gxm h ARG 262 CO -0.23 1.26 0.00 -0.25 0.56 0.00 0.00 179.97 181.31 3gxm n ASP 263 N -3.56 0.56 0.03 7.04 8.00 -0.27 -4.68 116.55 123.65 3gxm n ASP 263 Ca -0.13 0.11 -0.12 0.00 0.71 0.00 0.00 54.79 55.36 3gxm n ASP 263 Cb 1.05 -0.14 -0.07 0.00 -0.02 0.00 0.00 41.12 41.94 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 0.00 0.03 0.62 0.64 5.85 -0.17 -1.05 115.31 121.23 3gxm h LEU 264 Ca 0.00 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3gxm h LEU 264 Cb 0.00 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.03 3gxm h LEU 264 CO 0.00 0.07 -0.30 1.23 -0.34 0.00 0.00 178.44 179.10 3gxm h GLY 265 N -0.02 -0.87 0.24 3.75 0.00 -1.22 -1.10 103.07 103.86 3gxm h GLY 265 Ca 0.01 0.32 0.14 0.00 0.00 0.00 0.00 47.33 47.80 3gxm h GLY 265 CO -0.00 -0.31 0.41 -2.55 0.00 0.00 0.00 176.54 174.08 3gxm h PRO 266 N -1.01 0.57 -0.41 4.80 0.11 -1.71 -0.63 132.00 133.72 3gxm h PRO 266 Ca -0.08 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.90 3gxm h PRO 266 Cb 0.68 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 3gxm h PRO 266 CO 0.14 0.38 -0.11 1.15 -0.21 0.00 0.00 178.00 179.35 3gxm h THR 267 N 0.59 1.28 -0.32 -1.15 2.02 -1.15 -2.18 112.91 112.00 3gxm h THR 267 Ca 0.44 -1.21 -0.12 0.00 0.77 0.00 0.00 66.41 66.30 3gxm h THR 267 Cb 0.62 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 3gxm h THR 267 CO -0.36 0.41 -0.29 -0.07 0.37 0.00 0.00 175.52 175.58 3gxm h LEU 268 N 0.61 0.68 -0.41 2.58 3.38 -0.84 -2.92 115.31 118.38 3gxm h LEU 268 Ca 0.10 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3gxm h LEU 268 Cb 0.64 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3gxm h LEU 268 CO 0.04 0.93 0.14 0.00 0.09 0.00 0.00 178.44 179.65 3gxm h ALA 269 N 1.11 0.53 0.00 1.53 0.00 -1.11 -2.76 119.26 118.57 3gxm h ALA 269 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gxm h ALA 269 Cb 0.78 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3gxm h ALA 269 CO 0.06 0.16 0.00 -1.71 0.00 0.00 0.00 179.25 177.76 3gxm n ASN 270 N -4.61 0.00 -4.93 0.00 5.15 -0.82 -4.71 115.26 105.34 3gxm n ASN 270 Ca -0.00 -0.17 -0.20 0.00 -0.60 0.00 0.00 54.58 53.61 3gxm n ASN 270 Cb 0.17 -0.19 0.05 0.00 -0.53 0.00 0.00 39.78 39.28 3gxm n ASN 270 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3gxm s SER 271 N -2.37 5.13 0.00 1.20 1.04 -1.04 -4.99 113.70 112.67 3gxm s SER 271 Ca 0.20 -0.39 0.25 0.00 0.48 0.00 0.00 55.95 56.49 3gxm s SER 271 Cb 0.12 -0.35 1.10 0.00 0.10 0.00 0.00 66.02 66.99 3gxm s SER 271 CO 0.24 -1.25 1.82 0.35 0.98 0.00 0.00 173.24 175.38 3gxm n THR 272 N -2.30 0.25 -1.75 2.02 -2.24 -1.26 -3.45 114.28 105.54 3gxm n THR 272 Ca 0.11 0.06 -0.36 0.00 -2.27 0.00 0.00 64.05 61.59 3gxm n THR 272 Cb 0.60 -0.63 0.05 0.00 -2.10 0.00 0.00 70.33 68.26 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 -1.48 3.10 0.54 4.78 8.25 -1.26 -4.68 115.22 124.46 3gxm n HIS 273 Ca 0.07 -2.65 0.13 0.00 -0.26 0.00 0.00 57.72 55.01 3gxm n HIS 273 Cb 0.29 -1.15 0.44 0.00 1.12 0.00 0.00 29.99 30.68 3gxm n HIS 273 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3gxm n HIS 274 N -0.69 0.91 0.80 4.41 -0.00 -1.22 -3.01 115.22 116.42 3gxm n HIS 274 Ca 0.56 0.29 0.13 0.00 -0.00 0.00 0.00 57.72 58.70 3gxm n HIS 274 Cb 0.47 -0.98 0.40 0.00 -0.00 0.00 0.00 29.99 29.88 3gxm n HIS 274 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3gxm n ASN 275 N -2.27 0.48 -4.67 4.39 3.02 -1.26 -4.84 115.26 110.10 3gxm n ASN 275 Ca 0.04 0.32 -0.42 0.00 -0.03 0.00 0.00 54.58 54.49 3gxm n ASN 275 Cb 0.36 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 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 -3.06 3.49 0.53 2.41 1.01 -1.16 -4.97 120.40 118.64 3gxm s VAL 276 Ca 0.11 0.75 -0.20 0.00 0.00 0.00 0.00 61.98 62.65 3gxm s VAL 276 Cb 0.16 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 3gxm s VAL 276 CO 0.62 -0.04 1.10 -0.13 0.00 0.00 0.00 175.10 176.65 3gxm s ARG 277 N 3.33 3.48 -0.15 2.72 1.81 -0.43 -4.87 118.95 124.83 3gxm s ARG 277 Ca 0.71 1.53 -0.03 0.00 -1.72 0.00 0.00 55.73 56.22 3gxm s ARG 277 Cb -0.34 -2.03 -0.02 0.00 -0.45 0.00 0.00 34.95 32.10 3gxm s ARG 277 CO 0.29 -0.73 -0.05 -1.17 -0.68 0.00 0.00 175.30 172.96 3gxm s LEU 278 N -3.73 3.15 -0.13 2.53 2.96 -1.26 -0.89 118.68 121.31 3gxm s LEU 278 Ca 0.71 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.45 3gxm s LEU 278 Cb -0.22 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 3gxm s LEU 278 CO 0.25 0.16 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.55 3gxm s LEU 279 N 0.38 2.67 0.69 -0.68 1.43 0.07 -0.97 118.68 122.27 3gxm s LEU 279 Ca -0.05 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 3gxm s LEU 279 Cb -0.14 -1.60 0.13 0.00 0.03 0.00 0.00 46.19 44.61 3gxm s LEU 279 CO 0.03 0.16 0.95 0.00 0.23 0.00 0.00 176.35 177.73 3gxm s MET 280 N 0.35 1.79 1.60 1.70 0.23 -0.26 -2.02 119.30 122.69 3gxm s MET 280 Ca -0.12 -1.43 0.00 0.00 -1.03 0.00 0.00 55.69 53.12 3gxm s MET 280 Cb -0.16 -2.44 0.00 0.00 -1.53 0.00 0.00 34.83 30.70 3gxm s MET 280 CO 0.06 -1.34 0.00 -0.11 -2.03 0.00 0.00 175.02 171.60 3gxm n LEU 281 N -2.67 0.00 -3.36 0.18 7.94 -1.26 -0.68 117.00 117.15 3gxm n LEU 281 Ca 0.17 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.91 3gxm n LEU 281 Cb 0.61 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.65 3gxm n LEU 281 CO 0.41 0.00 0.09 -0.67 -1.11 0.00 0.00 177.39 176.11 3gxm n ASP 282 N 3.22 -3.23 -3.25 1.96 2.03 0.69 -4.29 116.55 113.68 3gxm n ASP 282 Ca 0.00 -0.64 -0.08 0.00 0.52 0.00 0.00 54.79 54.59 3gxm n ASP 282 Cb 0.00 -5.10 0.01 0.00 -0.72 0.00 0.00 41.12 35.30 3gxm n ASP 282 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3gxm s ASP 283 N -4.10 -0.05 0.49 1.67 -1.08 -1.20 -0.26 116.67 112.15 3gxm s ASP 283 Ca 0.12 -0.99 -0.21 0.00 -0.52 0.00 0.00 52.55 50.95 3gxm s ASP 283 Cb -0.02 0.80 -0.10 0.00 -1.46 0.00 0.00 42.92 42.15 3gxm s ASP 283 CO 0.72 -1.56 0.77 0.00 0.52 0.00 0.00 175.17 175.62 3gxm n GLN 284 N -0.51 0.87 0.28 4.34 1.13 -1.26 -0.74 117.38 121.49 3gxm n GLN 284 Ca -0.07 0.32 0.18 0.00 -1.94 0.00 0.00 57.00 55.49 3gxm n GLN 284 Cb 0.60 -1.85 0.72 0.00 0.11 0.00 0.00 30.24 29.82 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 0.85 0.00 -0.02 -1.09 0.11 -1.85 -3.02 114.38 109.37 3gxm h ARG 285 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 3gxm h ARG 285 Cb 1.37 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.45 3gxm h ARG 285 CO 0.52 0.01 0.17 1.37 0.10 0.00 0.00 179.97 182.13 3gxm h LEU 286 N 0.00 0.00 -0.18 0.08 8.10 -1.84 -0.85 115.31 120.62 3gxm h LEU 286 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3gxm h LEU 286 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.70 3gxm h LEU 286 CO 0.00 0.00 -0.22 0.18 -4.11 0.00 0.00 178.44 174.29 3gxm n LEU 287 N -3.05 0.50 -4.90 0.17 4.77 -1.14 -4.81 117.00 108.55 3gxm n LEU 287 Ca -0.02 0.04 -0.32 0.00 -0.03 0.00 0.00 56.01 55.67 3gxm n LEU 287 Cb 0.23 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 3gxm n LEU 287 CO 0.18 0.10 -0.04 -0.76 -1.33 0.00 0.00 177.39 175.54 3gxm s LEU 288 N -2.70 4.32 0.43 2.23 1.43 -0.33 -1.10 118.68 122.97 3gxm s LEU 288 Ca 0.21 0.52 0.23 0.00 -1.03 0.00 0.00 54.13 54.06 3gxm s LEU 288 Cb 0.19 -3.04 0.92 0.00 0.03 0.00 0.00 46.19 44.30 3gxm s LEU 288 CO 0.55 0.14 1.83 -0.65 0.23 0.00 0.00 176.35 178.45 3gxm h PRO 289 N 3.25 0.00 -0.68 1.29 0.11 -1.77 -3.41 132.00 130.79 3gxm h PRO 289 Ca -0.47 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.76 3gxm h PRO 289 Cb 1.17 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.16 3gxm h PRO 289 CO 0.71 0.25 -0.33 1.25 -0.21 0.00 0.00 178.00 179.67 3gxm h HIS 290 N 0.00 -0.90 -0.72 0.65 2.76 -1.92 -1.50 115.15 113.53 3gxm h HIS 290 Ca -0.00 0.08 0.09 0.00 -2.20 0.00 0.00 60.37 58.34 3gxm h HIS 290 Cb 0.73 0.49 -0.07 0.00 1.55 0.00 0.00 27.41 30.12 3gxm h HIS 290 CO 0.00 -0.38 0.37 -1.49 -1.30 0.00 0.00 177.93 175.13 3gxm h TRP 291 N -0.12 0.65 -0.31 5.26 4.06 -1.48 -0.58 115.95 123.44 3gxm h TRP 291 Ca 0.27 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 61.22 3gxm h TRP 291 Cb 0.56 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.52 3gxm h TRP 291 CO -0.67 0.24 0.10 0.00 -3.56 0.00 0.00 178.44 174.54 3gxm h ALA 292 N 1.43 0.41 -0.44 1.49 0.00 -1.56 -2.17 119.26 118.42 3gxm h ALA 292 Ca 0.36 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3gxm h ALA 292 Cb 0.37 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3gxm h ALA 292 CO -0.27 0.05 0.16 0.87 0.00 0.00 0.00 179.25 180.06 3gxm h LYS 293 N 0.35 0.33 0.25 0.00 1.57 -0.69 0.32 116.57 118.70 3gxm h LYS 293 Ca 0.10 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3gxm h LYS 293 Cb 0.25 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3gxm h LYS 293 CO -0.00 0.22 -0.12 0.28 -0.57 0.00 0.00 179.45 179.26 3gxm h VAL 294 N 0.34 0.79 -0.07 0.50 2.07 -1.02 -2.60 116.25 116.26 3gxm h VAL 294 Ca 0.21 -0.17 -0.18 0.00 0.82 0.00 0.00 66.70 67.38 3gxm h VAL 294 Cb 0.19 0.89 0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3gxm h VAL 294 CO -0.20 0.04 -0.66 0.58 0.02 0.00 0.00 177.57 177.34 3gxm h VAL 295 N -0.42 1.35 0.00 2.57 2.07 -1.23 -3.37 116.25 117.22 3gxm h VAL 295 Ca -0.03 -1.97 -0.03 0.00 0.82 0.00 0.00 66.70 65.48 3gxm h VAL 295 Cb 0.32 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 3gxm h VAL 295 CO 0.06 0.60 -1.16 0.18 0.02 0.00 0.00 177.57 177.27 3gxm n LEU 296 N -4.11 0.78 -0.28 2.57 4.77 0.11 -3.21 117.00 117.62 3gxm n LEU 296 Ca -0.09 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3gxm n LEU 296 Cb 0.69 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 3gxm n LEU 296 CO 0.49 -0.12 0.35 0.35 -1.33 0.00 0.00 177.39 177.14 3gxm n THR 297 N -2.68 0.00 -4.00 -5.08 -2.24 -0.98 -4.48 114.28 94.83 3gxm n THR 297 Ca -0.02 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.45 3gxm n THR 297 Cb 0.60 -0.28 -0.15 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.46 4.64 0.55 3.42 2.15 -1.20 -5.03 116.67 120.74 3gxm s ASP 298 Ca 0.00 -1.99 0.39 0.00 0.43 0.00 0.00 52.55 51.38 3gxm s ASP 298 Cb 0.00 -1.54 1.58 0.00 -0.30 0.00 0.00 42.92 42.66 3gxm s ASP 298 CO 0.00 -0.36 1.75 -0.65 -0.17 0.00 0.00 175.17 175.74 3gxm h PRO 299 N 7.68 0.00 0.00 4.34 0.11 -1.86 0.14 132.00 142.40 3gxm h PRO 299 Ca -0.07 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.93 3gxm h PRO 299 Cb 1.02 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3gxm h PRO 299 CO 0.51 0.00 -0.94 0.93 -0.21 0.00 0.00 178.00 178.29 3gxm h GLU 300 N 0.00 0.00 0.04 1.05 4.39 -1.95 -2.48 114.58 115.63 3gxm h GLU 300 Ca 0.64 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 60.18 3gxm h GLU 300 Cb 2.59 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 31.23 3gxm h GLU 300 CO -0.01 0.28 -0.81 0.00 -1.16 0.00 0.00 179.01 177.32 3gxm h ALA 301 N 1.59 0.11 -0.87 3.43 0.00 -1.45 -3.40 119.26 118.68 3gxm h ALA 301 Ca -0.07 -0.88 0.14 0.00 0.00 0.00 0.00 54.91 54.10 3gxm h ALA 301 Cb 1.37 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 19.44 3gxm h ALA 301 CO 0.04 0.45 0.56 0.00 0.00 0.00 0.00 179.25 180.30 3gxm h ALA 302 N -0.15 1.85 0.00 0.00 0.00 -0.86 -0.90 119.26 119.19 3gxm h ALA 302 Ca -0.19 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3gxm h ALA 302 Cb 1.34 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3gxm h ALA 302 CO -0.03 -0.08 0.00 1.57 0.00 0.00 0.00 179.25 180.71 3gxm h LYS 303 N 0.68 0.00 0.00 0.00 2.10 -1.66 -2.82 116.57 114.87 3gxm h LYS 303 Ca 0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 3gxm h LYS 303 Cb 0.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 3gxm h LYS 303 CO -0.19 0.00 -0.97 0.66 -2.00 0.00 0.00 179.45 176.95 3gxm n TYR 304 N -2.55 0.00 -3.49 0.07 0.53 -0.35 -4.94 117.16 106.44 3gxm n TYR 304 Ca -0.01 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.48 3gxm n TYR 304 Cb 0.08 -0.08 -0.10 0.00 -1.03 0.00 0.00 39.34 38.21 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 -2.67 5.24 0.01 -0.72 1.01 -1.07 -4.39 120.40 117.81 3gxm s VAL 305 Ca 0.04 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3gxm s VAL 305 Cb 0.12 -3.64 -0.26 0.00 0.00 0.00 0.00 36.38 32.60 3gxm s VAL 305 CO 0.68 0.16 0.87 -0.74 0.00 0.00 0.00 175.10 176.06 3gxm h HIS 306 N 8.31 0.34 -3.61 5.22 2.76 -1.36 -3.49 115.15 123.31 3gxm h HIS 306 Ca -0.33 -0.25 -0.08 0.00 -2.20 0.00 0.00 60.37 57.51 3gxm h HIS 306 Cb 1.17 -0.01 -0.07 0.00 1.55 0.00 0.00 27.41 30.04 3gxm h HIS 306 CO 0.75 1.30 -0.06 0.20 -1.30 0.00 0.00 177.93 178.81 3gxm s GLY 307 N -4.97 0.65 -0.24 5.26 0.00 -1.08 -3.19 107.32 103.75 3gxm s GLY 307 Ca -0.08 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 43.73 3gxm s GLY 307 CO 0.84 -0.62 -0.12 -0.42 0.00 0.00 0.00 173.10 172.79 3gxm s ILE 308 N -3.63 2.00 0.08 0.90 1.01 0.99 -1.10 121.20 121.45 3gxm s ILE 308 Ca 0.22 -1.39 -0.26 0.00 0.00 0.00 0.00 60.65 59.23 3gxm s ILE 308 Cb -0.02 -2.08 -0.06 0.00 0.01 0.00 0.00 42.46 40.32 3gxm s ILE 308 CO 0.11 0.08 0.79 0.00 0.00 0.00 0.00 174.94 175.93 3gxm s ALA 309 N 1.21 3.38 0.10 9.38 0.00 0.14 -1.60 121.76 134.36 3gxm s ALA 309 Ca -0.05 0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.31 3gxm s ALA 309 Cb -0.18 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 3gxm s ALA 309 CO -0.07 0.11 -0.18 0.14 0.00 0.00 0.00 175.76 175.77 3gxm s VAL 310 N -0.33 1.45 0.02 0.00 -7.23 0.52 -0.22 120.40 114.61 3gxm s VAL 310 Ca 0.39 -1.49 0.03 0.00 -1.81 0.00 0.00 61.98 59.10 3gxm s VAL 310 Cb -0.21 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 3gxm s VAL 310 CO 0.24 -0.17 -0.03 -1.00 -0.31 0.00 0.00 175.10 173.83 3gxm s HIS 311 N -1.34 2.97 -0.01 2.82 3.76 0.08 -1.09 115.29 122.48 3gxm s HIS 311 Ca 0.04 0.00 0.11 0.00 -0.15 0.00 0.00 55.06 55.06 3gxm s HIS 311 Cb -0.09 -1.61 -0.23 0.00 1.11 0.00 0.00 32.58 31.76 3gxm s HIS 311 CO 0.03 0.43 0.77 -1.49 -0.85 0.00 0.00 174.74 173.64 3gxm h TRP 312 N 4.20 0.02 -0.14 1.40 6.55 -1.62 -3.28 115.95 123.08 3gxm h TRP 312 Ca -0.48 -0.02 0.01 0.00 0.95 0.00 0.00 58.89 59.35 3gxm h TRP 312 Cb 1.17 -0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.45 3gxm h TRP 312 CO 0.60 1.03 -0.08 0.98 -1.05 0.00 0.00 178.44 179.91 3gxm n TYR 313 N -3.12 -0.06 -1.60 0.49 -0.00 -1.01 -0.28 117.16 111.57 3gxm n TYR 313 Ca -0.14 0.17 -0.36 0.00 -0.00 0.00 0.00 57.90 57.58 3gxm n TYR 313 Cb 1.03 -0.34 0.05 0.00 -0.00 0.00 0.00 39.34 40.07 3gxm n TYR 313 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 3gxm n LEU 314 N -3.39 7.44 0.08 2.98 4.77 -1.26 -4.71 117.00 122.91 3gxm n LEU 314 Ca 0.00 -4.47 -0.02 0.00 -0.03 0.00 0.00 56.01 51.49 3gxm n LEU 314 Cb 0.04 -1.05 0.23 0.00 -2.33 0.00 0.00 43.42 40.31 3gxm n LEU 314 CO -0.02 1.62 0.69 0.44 -1.33 0.00 0.00 177.39 178.78 3gxm h ASP 315 N 2.54 0.30 0.35 -1.43 3.32 -0.92 -3.23 116.42 117.35 3gxm h ASP 315 Ca 0.55 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.44 3gxm h ASP 315 Cb 0.43 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3gxm h ASP 315 CO 1.40 0.64 -0.22 2.19 -1.72 0.00 0.00 179.24 181.54 3gxm h PHE 316 N 0.25 0.00 -0.55 4.55 -0.00 -1.85 -2.99 116.94 116.36 3gxm h PHE 316 Ca 0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 57.97 57.94 3gxm h PHE 316 Cb 0.74 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.67 3gxm h PHE 316 CO 0.02 0.22 0.10 -0.07 -0.00 0.00 0.00 178.31 178.57 3gxm h LEU 317 N 0.00 0.87 -7.60 2.10 3.38 -1.96 -3.43 115.31 108.67 3gxm h LEU 317 Ca -0.00 -0.25 -0.47 0.00 0.09 0.00 0.00 57.88 57.24 3gxm h LEU 317 Cb 0.45 -0.23 -0.37 0.00 0.09 0.00 0.00 40.66 40.60 3gxm h LEU 317 CO 0.03 0.90 -0.78 0.00 0.09 0.00 0.00 178.44 178.68 3gxm s ALA 318 N -5.23 0.95 0.90 1.53 0.00 -1.13 -5.08 121.76 113.71 3gxm s ALA 318 Ca -0.12 -0.29 -0.11 0.00 0.00 0.00 0.00 51.96 51.43 3gxm s ALA 318 Cb 0.12 -0.77 0.13 0.00 0.00 0.00 0.00 23.12 22.60 3gxm s ALA 318 CO 0.82 -0.38 1.09 -1.25 0.00 0.00 0.00 175.76 176.03 3gxm s PRO 319 N 1.73 1.24 0.11 0.00 0.04 -1.26 -4.70 135.00 132.16 3gxm s PRO 319 Ca 0.03 0.86 -0.16 0.00 0.04 0.00 0.00 61.00 61.78 3gxm s PRO 319 Cb -0.13 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 3gxm s PRO 319 CO -0.06 -2.27 1.55 0.00 0.04 0.00 0.00 177.00 176.27 3gxm h ALA 320 N -1.57 0.49 -0.72 8.56 0.00 -1.99 -3.14 119.26 120.89 3gxm h ALA 320 Ca -0.49 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.20 3gxm h ALA 320 Cb 1.28 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 3gxm h ALA 320 CO 0.54 0.27 0.44 -0.22 0.00 0.00 0.00 179.25 180.28 3gxm h LYS 321 N 0.46 0.82 0.00 0.00 3.64 -1.94 0.16 116.57 119.70 3gxm h LYS 321 Ca 0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3gxm h LYS 321 Cb 0.48 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3gxm h LYS 321 CO 0.02 0.54 0.00 0.00 -2.27 0.00 0.00 179.45 177.74 3gxm h ALA 322 N 1.33 1.00 -0.40 5.00 0.00 -1.94 0.13 119.26 124.38 3gxm h ALA 322 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3gxm h ALA 322 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3gxm h ALA 322 CO -0.13 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.37 3gxm n THR 323 N -2.66 0.00 -0.02 0.00 -2.24 -1.10 -4.34 114.28 103.92 3gxm n THR 323 Ca 0.05 0.14 -0.12 0.00 -2.27 0.00 0.00 64.05 61.84 3gxm n THR 323 Cb 0.46 -1.09 -0.07 0.00 -2.10 0.00 0.00 70.33 67.52 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 0.14 0.06 3.22 3.38 -1.46 -1.81 115.31 118.85 3gxm h LEU 324 Ca 0.00 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.68 3gxm h LEU 324 Cb 0.00 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3gxm h LEU 324 CO 0.00 0.42 -0.37 1.23 0.09 0.00 0.00 178.44 179.81 3gxm h GLY 325 N -0.14 -0.69 0.97 0.83 0.00 -0.29 -2.44 103.07 101.31 3gxm h GLY 325 Ca 0.02 0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 3gxm h GLY 325 CO 0.00 -0.25 0.24 -2.09 0.00 0.00 0.00 176.54 174.44 3gxm h GLU 326 N -0.57 0.71 -0.50 4.80 4.57 -0.84 -2.82 114.58 119.94 3gxm h GLU 326 Ca 0.04 -0.10 0.07 0.00 -1.18 0.00 0.00 59.36 58.18 3gxm h GLU 326 Cb 0.62 -0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 29.03 3gxm h GLU 326 CO -0.25 0.59 0.18 1.15 -1.18 0.00 0.00 179.01 179.50 3gxm h THR 327 N 0.65 0.84 -0.70 0.32 2.02 -1.25 -2.23 112.91 112.55 3gxm h THR 327 Ca 0.17 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.25 3gxm h THR 327 Cb 0.11 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 3gxm h THR 327 CO -0.02 0.07 0.44 -0.74 0.37 0.00 0.00 175.52 175.64 3gxm h HIS 328 N 0.36 0.83 -0.77 3.16 -0.00 -1.26 -0.19 115.15 117.27 3gxm h HIS 328 Ca 0.24 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.69 3gxm h HIS 328 Cb 0.25 -0.27 -0.06 0.00 -0.00 0.00 0.00 27.41 27.33 3gxm h HIS 328 CO -0.16 0.48 0.47 -0.09 -0.00 0.00 0.00 177.93 178.63 3gxm h ARG 329 N 0.87 0.84 0.01 5.26 2.43 -1.19 -1.88 114.38 120.72 3gxm h ARG 329 Ca 0.28 -0.05 -0.22 0.00 -0.81 0.00 0.00 59.98 59.18 3gxm h ARG 329 Cb 0.01 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 3gxm h ARG 329 CO -0.10 0.56 -1.03 -0.07 -1.51 0.00 0.00 179.97 177.81 3gxm h LEU 330 N 0.87 0.03 -6.02 3.80 3.38 -0.91 -3.39 115.31 113.07 3gxm h LEU 330 Ca 0.33 -0.04 -0.56 0.00 0.09 0.00 0.00 57.88 57.70 3gxm h LEU 330 Cb 0.14 -0.01 -0.39 0.00 0.09 0.00 0.00 40.66 40.49 3gxm h LEU 330 CO -0.16 1.03 -1.05 0.49 0.09 0.00 0.00 178.44 178.83 3gxm n PHE 331 N -3.36 0.05 0.56 1.13 3.01 -0.13 -4.98 117.46 113.74 3gxm n PHE 331 Ca -0.01 -3.62 0.08 0.00 1.01 0.00 0.00 57.45 54.91 3gxm n PHE 331 Cb 0.95 -0.37 0.34 0.00 -0.01 0.00 0.00 39.48 40.39 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 1.36 0.01 -0.07 -1.08 -0.04 -0.72 -2.26 135.00 132.21 3gxm n PRO 332 Ca 0.22 0.22 0.05 0.00 -0.04 0.00 0.00 63.50 63.96 3gxm n PRO 332 Cb 0.52 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.49 2.27 -4.32 3.54 3.02 -1.26 -4.87 115.26 112.16 3gxm n ASN 333 Ca 0.04 -1.66 -0.37 0.00 -0.03 0.00 0.00 54.58 52.57 3gxm n ASN 333 Cb 0.18 -0.09 -0.13 0.00 -0.61 0.00 0.00 39.78 39.14 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 -0.93 3.75 0.56 3.41 2.01 -0.96 -5.02 115.64 118.46 3gxm s THR 334 Ca 0.16 -0.73 -0.20 0.00 0.31 0.00 0.00 61.69 61.23 3gxm s THR 334 Cb 0.10 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 3gxm s THR 334 CO 0.14 0.12 1.20 0.00 -0.69 0.00 0.00 174.62 175.39 3gxm s MET 335 N 1.47 3.19 -0.14 4.92 0.23 -1.19 -4.74 119.30 123.04 3gxm s MET 335 Ca 0.02 1.82 -0.07 0.00 -1.03 0.00 0.00 55.69 56.43 3gxm s MET 335 Cb -0.17 -2.05 -0.04 0.00 -1.53 0.00 0.00 34.83 31.04 3gxm s MET 335 CO 0.01 -1.03 0.10 -0.51 -2.03 0.00 0.00 175.02 171.56 3gxm s LEU 336 N -3.80 4.14 -0.07 0.18 1.43 -1.26 -0.01 118.68 119.28 3gxm s LEU 336 Ca 0.74 0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 54.12 3gxm s LEU 336 Cb -0.30 -2.02 0.04 0.00 0.03 0.00 0.00 46.19 43.95 3gxm s LEU 336 CO 0.33 0.33 0.15 0.12 0.23 0.00 0.00 176.35 177.52 3gxm s PHE 337 N -0.54 -0.18 -0.51 0.29 5.36 -0.63 -0.45 117.98 121.32 3gxm s PHE 337 Ca 0.12 0.53 -0.26 0.00 -0.96 0.00 0.00 56.93 56.35 3gxm s PHE 337 Cb -0.12 -0.11 0.03 0.00 -0.34 0.00 0.00 43.02 42.48 3gxm s PHE 337 CO 0.02 -0.19 0.99 0.00 -1.46 0.00 0.00 175.22 174.58 3gxm s ALA 338 N 1.41 3.17 -0.12 11.12 0.00 -0.68 -0.36 121.76 136.31 3gxm s ALA 338 Ca -0.07 -0.89 0.20 0.00 0.00 0.00 0.00 51.96 51.21 3gxm s ALA 338 Cb -0.12 -3.76 -0.23 0.00 0.00 0.00 0.00 23.12 19.02 3gxm s ALA 338 CO -0.06 -2.27 0.52 -1.13 0.00 0.00 0.00 175.76 172.83 3gxm n SER 339 N 7.52 0.30 -3.46 0.00 3.41 -0.25 0.11 113.62 121.24 3gxm n SER 339 Ca 0.06 0.12 -0.27 0.00 -0.26 0.00 0.00 58.87 58.52 3gxm n SER 339 Cb 0.48 1.15 -0.10 0.00 -0.26 0.00 0.00 64.21 65.48 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 -3.11 1.10 -1.03 4.33 2.12 -1.19 -4.47 118.70 116.44 3gxm s GLU 340 Ca -0.06 -2.25 -0.21 0.00 0.36 0.00 0.00 54.97 52.81 3gxm s GLU 340 Cb 0.10 -1.68 0.08 0.00 0.26 0.00 0.00 34.13 32.90 3gxm s GLU 340 CO 0.85 -1.37 1.39 0.00 -0.54 0.00 0.00 175.26 175.59 3gxm s ALA 341 N -0.11 3.02 0.22 6.30 0.00 0.11 -2.06 121.76 129.23 3gxm s ALA 341 Ca 0.31 -2.52 -0.14 0.00 0.00 0.00 0.00 51.96 49.61 3gxm s ALA 341 Cb 0.02 -4.39 0.01 0.00 0.00 0.00 0.00 23.12 18.76 3gxm s ALA 341 CO -0.19 -3.37 0.48 0.00 0.00 0.00 0.00 175.76 172.68 3gxm n VAL 343 N -0.35 0.00 0.00 0.00 3.14 -1.26 -2.41 118.33 117.45 3gxm n VAL 343 Ca -0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 3gxm n VAL 343 Cb 0.62 -0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 3gxm n VAL 343 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gxm n GLY 344 N 3.31 -1.63 0.00 7.55 0.00 -1.26 -4.49 105.19 108.67 3gxm n GLY 344 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 3gxm n GLY 344 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gxm n SER 345 N -1.05 0.00 -3.72 1.61 3.41 -1.04 -4.90 113.62 107.93 3gxm n SER 345 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 3gxm n SER 345 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 3gxm n SER 345 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gxm s LYS 346 N 0.00 0.49 0.52 4.33 3.01 -1.26 -5.05 119.74 121.78 3gxm s LYS 346 Ca 0.00 0.62 0.33 0.00 -1.01 0.00 0.00 55.97 55.91 3gxm s LYS 346 Cb 0.00 0.22 1.47 0.00 -1.01 0.00 0.00 37.83 38.51 3gxm s LYS 346 CO 0.00 -0.07 1.81 0.27 0.51 0.00 0.00 175.35 177.87 3gxm h PHE 347 N 5.65 0.11 -0.60 3.18 -5.15 -2.00 0.21 116.94 118.34 3gxm h PHE 347 Ca -0.28 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.49 3gxm h PHE 347 Cb 1.18 -0.03 0.00 0.00 0.22 0.00 0.00 35.95 37.32 3gxm h PHE 347 CO 0.38 0.01 0.00 -2.67 -2.00 0.00 0.00 178.31 174.03 3gxm n TRP 348 N -4.27 0.92 -4.36 6.09 2.14 -1.26 -4.95 117.44 111.75 3gxm n TRP 348 Ca 0.25 -0.53 -0.27 0.00 2.07 0.00 0.00 57.50 59.02 3gxm n TRP 348 Cb 1.16 -0.06 -0.11 0.00 -0.81 0.00 0.00 31.31 31.49 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 -1.19 1.75 0.47 -2.67 2.02 0.73 -5.12 118.70 114.68 3gxm s GLU 349 Ca 0.42 -1.39 -0.22 0.00 0.02 0.00 0.00 54.97 53.80 3gxm s GLU 349 Cb 0.23 -1.99 -0.07 0.00 0.10 0.00 0.00 34.13 32.40 3gxm s GLU 349 CO 0.26 0.42 1.13 -0.65 0.02 0.00 0.00 175.26 176.44 3gxm s GLN 350 N -2.67 3.73 0.27 1.61 -0.21 -1.26 -4.65 119.66 116.47 3gxm s GLN 350 Ca 0.22 1.66 -0.01 0.00 0.02 0.00 0.00 55.36 57.25 3gxm s GLN 350 Cb -0.09 -2.30 0.50 0.00 1.00 0.00 0.00 33.01 32.13 3gxm s GLN 350 CO 0.12 -0.55 1.82 0.77 -2.12 0.00 0.00 175.29 175.32 3gxm h SER 351 N 1.87 0.79 -3.24 5.90 0.02 -1.85 -3.39 113.55 113.64 3gxm h SER 351 Ca -0.49 0.05 -0.67 0.00 -0.84 0.00 0.00 61.79 59.84 3gxm h SER 351 Cb 1.24 -0.10 -0.34 0.00 0.14 0.00 0.00 62.40 63.34 3gxm h SER 351 CO 0.60 0.42 -0.82 -0.69 -1.14 0.00 0.00 176.83 175.19 3gxm s VAL 352 N -5.98 2.33 -0.32 2.27 1.01 -1.26 -2.09 120.40 116.36 3gxm s VAL 352 Ca -0.12 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 60.89 3gxm s VAL 352 Cb 0.21 -2.06 0.07 0.00 0.00 0.00 0.00 36.38 34.61 3gxm s VAL 352 CO 0.80 0.42 0.02 -0.13 0.00 0.00 0.00 175.10 176.21 3gxm s ARG 353 N 1.30 2.14 -0.37 2.72 0.52 -1.26 -5.04 118.95 118.96 3gxm s ARG 353 Ca 0.03 -1.50 -0.29 0.00 -0.52 0.00 0.00 55.73 53.45 3gxm s ARG 353 Cb -0.14 -3.20 -0.00 0.00 0.52 0.00 0.00 34.95 32.13 3gxm s ARG 353 CO -0.10 -0.75 1.50 -0.51 0.02 0.00 0.00 175.30 175.46 3gxm s LEU 354 N 1.14 3.62 0.00 2.53 1.43 -1.26 -2.36 118.68 123.77 3gxm s LEU 354 Ca -0.01 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.13 3gxm s LEU 354 Cb -0.20 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.48 3gxm s LEU 354 CO -0.04 -1.45 0.00 0.61 0.23 0.00 0.00 176.35 175.71 3gxm n GLY 355 N 5.05 0.96 3.59 -3.19 0.00 -1.26 -3.98 105.19 106.35 3gxm n GLY 355 Ca 0.18 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.05 6.06 0.19 1.61 0.15 -1.00 0.36 113.70 119.02 3gxm s SER 356 Ca 0.00 0.72 -0.08 0.00 0.70 0.00 0.00 55.95 57.29 3gxm s SER 356 Cb 0.00 -2.54 0.09 0.00 -1.71 0.00 0.00 66.02 61.86 3gxm s SER 356 CO 0.00 -1.68 1.63 -0.25 1.20 0.00 0.00 173.24 174.14 3gxm h TRP 357 N 11.76 1.12 -0.45 3.44 2.91 -1.89 -3.18 115.95 129.66 3gxm h TRP 357 Ca -0.28 -0.21 0.09 0.00 1.13 0.00 0.00 58.89 59.62 3gxm h TRP 357 Cb 1.12 -0.29 -0.09 0.00 -0.51 0.00 0.00 29.16 29.39 3gxm h TRP 357 CO 0.99 1.02 -0.18 -0.44 -1.03 0.00 0.00 178.44 178.81 3gxm h ASP 358 N 0.92 -0.61 -0.42 2.65 5.19 -1.98 0.50 116.42 122.66 3gxm h ASP 358 Ca 0.15 0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.72 3gxm h ASP 358 Cb 0.62 0.35 -0.02 0.00 0.18 0.00 0.00 39.33 40.46 3gxm h ASP 358 CO 0.04 -0.21 0.26 0.03 -3.12 0.00 0.00 179.24 176.24 3gxm h ARG 359 N -0.08 0.58 0.75 3.56 3.08 -1.97 0.26 114.38 120.56 3gxm h ARG 359 Ca 0.22 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 3gxm h ARG 359 Cb 0.41 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.35 3gxm h ARG 359 CO -0.51 0.41 -0.36 0.78 -1.07 0.00 0.00 179.97 179.22 3gxm h GLY 360 N 0.63 -1.05 -0.54 0.04 0.00 -1.39 -2.56 103.07 98.20 3gxm h GLY 360 Ca 0.16 0.39 0.36 0.00 0.00 0.00 0.00 47.33 48.23 3gxm h GLY 360 CO -0.03 -0.38 0.86 -0.33 0.00 0.00 0.00 176.54 176.66 3gxm h MET 361 N -1.16 0.10 -0.56 4.80 2.86 -0.56 0.40 114.93 120.82 3gxm h MET 361 Ca -0.10 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.43 3gxm h MET 361 Cb 0.77 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 3gxm h MET 361 CO 0.17 0.07 -0.04 1.96 1.06 0.00 0.00 176.91 180.13 3gxm h GLN 362 N 0.11 1.02 0.78 1.72 4.20 -0.87 -2.55 115.11 119.51 3gxm h GLN 362 Ca 0.64 -0.34 -0.04 0.00 0.06 0.00 0.00 58.65 58.96 3gxm h GLN 362 Cb 2.25 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 29.96 3gxm h GLN 362 CO -0.13 1.03 -0.38 1.88 -0.67 0.00 0.00 178.83 180.57 3gxm h TYR 363 N 0.90 -0.98 -0.93 2.96 -1.99 0.21 -2.54 116.97 114.61 3gxm h TYR 363 Ca 0.15 -0.02 0.12 0.00 2.00 0.00 0.00 58.73 60.98 3gxm h TYR 363 Cb 0.59 0.32 -0.08 0.00 2.00 0.00 0.00 36.73 39.56 3gxm h TYR 363 CO 0.04 -0.61 0.56 0.66 -0.00 0.00 0.00 178.16 178.81 3gxm h SER 364 N -1.11 0.80 -0.92 3.88 4.64 -1.54 -1.58 113.55 117.72 3gxm h SER 364 Ca -0.11 0.05 0.06 0.00 -0.47 0.00 0.00 61.79 61.32 3gxm h SER 364 Cb 0.81 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 62.73 3gxm h SER 364 CO 0.18 0.42 0.58 -0.74 -0.87 0.00 0.00 176.83 176.40 3gxm h HIS 365 N 0.88 1.08 -0.05 4.77 -0.00 -1.49 -1.04 115.15 119.30 3gxm h HIS 365 Ca 0.46 0.03 -0.21 0.00 -0.00 0.00 0.00 60.37 60.65 3gxm h HIS 365 Cb 0.47 -0.35 0.00 0.00 -0.00 0.00 0.00 27.41 27.53 3gxm h HIS 365 CO -0.03 0.56 -0.84 1.03 -0.00 0.00 0.00 177.93 178.65 3gxm h SER 366 N 1.07 0.58 -0.41 3.26 0.87 -0.87 -1.70 113.55 116.35 3gxm h SER 366 Ca 0.39 -0.42 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 3gxm h SER 366 Cb 0.14 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 3gxm h SER 366 CO -0.16 1.19 0.06 0.40 -0.53 0.00 0.00 176.83 177.78 3gxm h ILE 367 N 0.29 1.25 0.83 2.23 2.04 -1.16 -1.39 117.51 121.60 3gxm h ILE 367 Ca -0.06 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 64.86 3gxm h ILE 367 Cb 1.45 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3gxm h ILE 367 CO 0.15 0.31 -0.48 0.40 0.00 0.00 0.00 178.15 178.53 3gxm h ILE 368 N 0.53 0.00 -0.71 -0.67 2.04 -1.16 -0.03 117.51 117.51 3gxm h ILE 368 Ca 0.12 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.12 3gxm h ILE 368 Cb 0.39 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.34 3gxm h ILE 368 CO 0.01 0.00 -0.21 0.74 0.00 0.00 0.00 178.15 178.69 3gxm h THR 369 N -1.21 0.25 0.12 -0.27 2.02 -1.35 0.18 112.91 112.65 3gxm h THR 369 Ca -0.11 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.08 3gxm h THR 369 Cb 0.96 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 3gxm h THR 369 CO 0.14 0.00 -0.43 0.78 0.37 0.00 0.00 175.52 176.38 3gxm h ASN 370 N -0.03 -1.28 -0.96 4.18 -0.26 -1.15 -0.50 115.58 115.58 3gxm h ASN 370 Ca 0.33 0.13 0.31 0.00 -0.56 0.00 0.00 56.30 56.51 3gxm h ASN 370 Cb 0.53 0.47 -0.16 0.00 -1.06 0.00 0.00 38.32 38.11 3gxm h ASN 370 CO -0.74 -0.46 0.38 -0.07 -1.06 0.00 0.00 177.43 175.48 3gxm h LEU 371 N -0.62 0.17 -0.91 1.61 3.38 -0.25 0.18 115.31 118.86 3gxm h LEU 371 Ca -0.01 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3gxm h LEU 371 Cb 0.62 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3gxm h LEU 371 CO -0.22 -0.24 0.00 -0.07 0.09 0.00 0.00 178.44 178.00 3gxm h LEU 372 N 0.18 0.00 -4.28 1.67 3.38 -0.11 -3.17 115.31 112.98 3gxm h LEU 372 Ca 0.68 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 58.01 3gxm h LEU 372 Cb 1.55 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.95 3gxm h LEU 372 CO -0.70 0.00 0.06 -1.22 0.09 0.00 0.00 178.44 176.67 3gxm n TYR 373 N -3.08 3.09 -0.95 1.13 4.02 0.60 -4.96 117.16 117.01 3gxm n TYR 373 Ca 0.02 -2.67 0.00 0.00 -0.01 0.00 0.00 57.90 55.24 3gxm n TYR 373 Cb 0.39 -0.76 0.00 0.00 -0.02 0.00 0.00 39.34 38.95 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 -2.64 -0.72 8.25 -1.07 -4.67 115.22 113.70 3gxm n HIS 374 Ca 0.50 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.55 3gxm n HIS 374 Cb 0.65 -0.47 -0.04 0.00 1.12 0.00 0.00 29.99 31.25 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 -2.31 4.29 -0.79 1.59 1.01 -0.99 -4.40 120.40 118.81 3gxm s VAL 375 Ca 0.00 1.89 0.22 0.00 0.00 0.00 0.00 61.98 64.09 3gxm s VAL 375 Cb 0.00 -4.21 -0.21 0.00 0.00 0.00 0.00 36.38 31.97 3gxm s VAL 375 CO 0.00 0.29 0.90 1.33 0.00 0.00 0.00 175.10 177.62 3gxm n VAL 376 N 2.77 0.03 -3.57 2.92 0.24 0.40 -4.41 118.33 116.72 3gxm n VAL 376 Ca 0.03 -0.12 -0.08 0.00 -2.04 0.00 0.00 64.34 62.13 3gxm n VAL 376 Cb 0.48 0.65 -0.02 0.00 -1.47 0.00 0.00 33.84 33.48 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 -3.34 -0.42 -0.09 7.63 0.00 -1.26 0.77 107.32 110.60 3gxm s GLY 377 Ca 0.05 0.63 -0.04 0.00 0.00 0.00 0.00 44.72 45.36 3gxm s GLY 377 CO 0.85 0.20 0.19 -0.98 0.00 0.00 0.00 173.10 173.36 3gxm s TRP 378 N -3.33 -0.24 -0.32 1.90 0.51 0.36 -1.68 118.94 116.13 3gxm s TRP 378 Ca 0.06 0.68 -0.02 0.00 -2.12 0.00 0.00 56.10 54.70 3gxm s TRP 378 Cb -0.01 -0.14 0.06 0.00 -0.81 0.00 0.00 33.47 32.57 3gxm s TRP 378 CO -0.06 -0.26 0.04 0.99 -0.51 0.00 0.00 176.95 177.15 3gxm s THR 379 N 1.94 2.99 1.06 2.01 2.01 0.12 -1.18 115.64 124.59 3gxm s THR 379 Ca -0.02 -1.58 -0.14 0.00 0.31 0.00 0.00 61.69 60.27 3gxm s THR 379 Cb -0.12 -2.81 0.16 0.00 0.01 0.00 0.00 72.50 69.74 3gxm s THR 379 CO -0.07 -0.25 0.68 -0.67 -0.69 0.00 0.00 174.62 173.63 3gxm n ASP 380 N 4.59 -1.49 -1.30 3.53 2.03 0.38 0.03 116.55 124.33 3gxm n ASP 380 Ca -0.10 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.29 3gxm n ASP 380 Cb 0.43 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.60 3gxm n ASP 380 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 3gxm n TRP 381 N -4.41 0.00 -1.55 -0.67 -0.00 -1.24 -2.02 117.44 107.55 3gxm n TRP 381 Ca 0.05 0.00 -0.56 0.00 -0.00 0.00 0.00 57.50 56.99 3gxm n TRP 381 Cb 0.55 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.79 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 0.74 -0.35 5.87 3.02 -1.26 -0.56 115.26 122.72 3gxm n ASN 382 Ca 0.00 1.14 -0.03 0.00 -0.03 0.00 0.00 54.58 55.66 3gxm n ASN 382 Cb 0.00 -1.03 0.10 0.00 -0.61 0.00 0.00 39.78 38.23 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 3.75 1.10 -8.07 3.41 3.38 -1.64 -3.42 115.31 113.82 3gxm h LEU 383 Ca -0.49 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.29 3gxm h LEU 383 Cb 1.39 -0.28 -0.18 0.00 0.09 0.00 0.00 40.66 41.69 3gxm h LEU 383 CO 0.71 0.82 -0.64 0.00 0.09 0.00 0.00 178.44 179.43 3gxm s ALA 384 N -6.03 0.23 0.19 1.53 0.00 -1.26 -3.81 121.76 112.61 3gxm s ALA 384 Ca -0.13 -0.84 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 3gxm s ALA 384 Cb 0.17 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 3gxm s ALA 384 CO 0.82 -0.29 0.08 -0.51 0.00 0.00 0.00 175.76 175.85 3gxm s LEU 385 N -2.27 1.58 0.83 0.00 1.43 -0.57 -4.02 118.68 115.67 3gxm s LEU 385 Ca -0.03 -1.30 -0.11 0.00 -1.03 0.00 0.00 54.13 51.65 3gxm s LEU 385 Cb 0.00 0.21 0.12 0.00 0.03 0.00 0.00 46.19 46.55 3gxm s LEU 385 CO -0.06 -0.74 1.18 0.54 0.23 0.00 0.00 176.35 177.50 3gxm s ASN 386 N -3.16 4.10 0.00 2.29 2.20 -0.33 -0.89 114.94 119.15 3gxm s ASN 386 Ca 0.32 0.47 0.11 0.00 -0.94 0.00 0.00 52.86 52.82 3gxm s ASN 386 Cb 0.07 -0.84 0.54 0.00 -2.00 0.00 0.00 41.25 39.02 3gxm s ASN 386 CO 0.08 -2.11 1.27 -2.65 -2.94 0.00 0.00 177.10 170.75 3gxm n PRO 387 N -3.35 0.12 -0.09 3.55 -0.02 -1.24 -1.19 135.00 132.79 3gxm n PRO 387 Ca 0.11 0.21 0.12 0.00 -2.02 0.00 0.00 63.50 61.92 3gxm n PRO 387 Cb 0.60 -1.50 0.28 0.00 -0.02 0.00 0.00 33.50 32.86 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 -1.33 2.13 -2.16 -0.52 -0.58 -1.26 -4.68 120.64 112.23 3gxm n GLU 388 Ca 0.05 -1.68 -0.01 0.00 -0.42 0.00 0.00 57.16 55.09 3gxm n GLU 388 Cb 0.10 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 3gxm n GLU 388 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gxm n GLY 389 N 1.32 0.47 0.12 0.62 0.00 -0.33 -4.82 105.19 102.56 3gxm n GLY 389 Ca 0.17 -0.78 -0.01 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.89 4.05 3.77 -0.02 0.00 -1.26 -4.58 105.19 106.26 3gxm n GLY 390 Ca -0.01 -1.86 -0.39 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.06 4.60 -0.07 1.61 0.04 -1.26 -1.19 135.00 136.67 3gxm s PRO 391 Ca 0.01 1.52 -0.00 0.00 0.04 0.00 0.00 61.00 62.57 3gxm s PRO 391 Cb 0.00 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.58 3gxm s PRO 391 CO 0.01 0.25 -0.03 1.21 0.04 0.00 0.00 177.00 178.48 3gxm s ASN 392 N -1.30 1.46 0.00 6.66 3.84 -1.26 -3.99 114.94 120.34 3gxm s ASN 392 Ca 0.48 -0.14 0.25 0.00 0.21 0.00 0.00 52.86 53.65 3gxm s ASN 392 Cb -0.25 -0.52 1.21 0.00 -0.55 0.00 0.00 41.25 41.14 3gxm s ASN 392 CO 0.31 -0.12 1.82 -2.67 -2.79 0.00 0.00 177.10 173.64 3gxm n TRP 393 N 4.67 0.00 -0.01 0.43 4.27 -0.84 -4.05 117.44 121.91 3gxm n TRP 393 Ca -0.15 0.00 -0.02 0.00 -3.89 0.00 0.00 57.50 53.44 3gxm n TRP 393 Cb 0.50 -0.33 -0.01 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 -1.33 0.74 0.00 -1.67 0.31 -1.26 -5.09 118.33 110.02 3gxm n VAL 394 Ca 0.11 0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 3gxm n VAL 394 Cb 0.21 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 3gxm n VAL 394 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3gxm n ARG 395 N -3.29 0.00 -2.84 5.55 0.63 -1.26 -5.15 116.66 110.30 3gxm n ARG 395 Ca -0.04 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.47 3gxm n ARG 395 Cb 0.14 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.01 3gxm n ARG 395 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3gxm s ASN 396 N 0.00 6.81 0.00 6.15 4.22 -1.26 -4.91 114.94 125.95 3gxm s ASN 396 Ca 0.00 0.93 0.11 0.00 -2.14 0.00 0.00 52.86 51.76 3gxm s ASN 396 Cb 0.00 -2.45 0.02 0.00 1.28 0.00 0.00 41.25 40.10 3gxm s ASN 396 CO 0.00 -0.63 0.71 0.49 -2.04 0.00 0.00 177.10 175.62 3gxm n PHE 397 N 6.27 0.00 -4.26 1.54 3.72 -1.26 -4.74 117.46 118.73 3gxm n PHE 397 Ca 0.07 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.25 3gxm n PHE 397 Cb 0.47 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.89 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 -1.29 1.49 0.73 -4.37 -7.23 -1.26 -2.49 120.40 105.98 3gxm s VAL 398 Ca 0.10 -1.44 -0.02 0.00 -1.81 0.00 0.00 61.98 58.81 3gxm s VAL 398 Cb 0.09 -1.37 0.12 0.00 0.56 0.00 0.00 36.38 35.78 3gxm s VAL 398 CO 0.23 -0.11 1.01 -0.62 -0.31 0.00 0.00 175.10 175.31 3gxm s ASP 399 N -1.81 4.33 -0.08 4.85 -1.08 -0.89 -4.63 116.67 117.36 3gxm s ASP 399 Ca 0.03 -0.23 -0.16 0.00 -0.52 0.00 0.00 52.55 51.68 3gxm s ASP 399 Cb -0.10 -0.18 0.03 0.00 -1.46 0.00 0.00 42.92 41.22 3gxm s ASP 399 CO 0.03 -1.88 0.38 -0.55 0.52 0.00 0.00 175.17 173.68 3gxm s SER 400 N -4.71 -0.33 0.59 -0.34 0.15 -1.26 -4.91 113.70 102.89 3gxm s SER 400 Ca 0.66 0.46 0.29 0.00 0.70 0.00 0.00 55.95 58.07 3gxm s SER 400 Cb -0.06 0.56 1.70 0.00 -1.71 0.00 0.00 66.02 66.51 3gxm s SER 400 CO 0.45 -0.32 2.11 -0.65 1.20 0.00 0.00 173.24 176.03 3gxm h PRO 401 N 4.53 0.00 -4.56 5.44 0.11 -1.81 -3.39 132.00 132.31 3gxm h PRO 401 Ca -0.28 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.31 3gxm h PRO 401 Cb 1.18 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.95 3gxm h PRO 401 CO 0.33 0.00 -0.82 0.42 -0.21 0.00 0.00 178.00 177.73 3gxm s ILE 402 N -4.60 1.16 -0.19 4.15 1.01 -1.25 -0.92 121.20 120.57 3gxm s ILE 402 Ca -0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 3gxm s ILE 402 Cb 0.15 -1.07 -0.00 0.00 0.01 0.00 0.00 42.46 41.55 3gxm s ILE 402 CO 0.53 0.36 -0.10 -0.63 0.00 0.00 0.00 174.94 175.10 3gxm s ILE 403 N 0.71 2.98 -0.20 2.92 -1.09 -0.84 -1.51 121.20 124.17 3gxm s ILE 403 Ca -0.14 -0.64 -0.13 0.00 -2.23 0.00 0.00 60.65 57.51 3gxm s ILE 403 Cb -0.16 -2.31 -0.05 0.00 -1.58 0.00 0.00 42.46 38.37 3gxm s ILE 403 CO 0.03 0.48 0.27 -0.69 -1.23 0.00 0.00 174.94 173.80 3gxm s VAL 404 N 1.12 5.30 -0.79 2.92 1.01 -0.06 -0.66 120.40 129.24 3gxm s VAL 404 Ca 0.01 0.46 -0.11 0.00 0.00 0.00 0.00 61.98 62.34 3gxm s VAL 404 Cb -0.14 -3.61 0.21 0.00 0.00 0.00 0.00 36.38 32.83 3gxm s VAL 404 CO -0.03 0.34 0.70 -0.62 0.00 0.00 0.00 175.10 175.49 3gxm s ASP 405 N 0.79 6.42 0.46 3.32 2.15 -0.10 -3.70 116.67 126.02 3gxm s ASP 405 Ca 0.14 -2.75 0.17 0.00 0.43 0.00 0.00 52.55 50.53 3gxm s ASP 405 Cb -0.13 -2.13 1.13 0.00 -0.30 0.00 0.00 42.92 41.48 3gxm s ASP 405 CO 0.05 -0.52 1.98 0.16 -0.17 0.00 0.00 175.17 176.67 3gxm h ILE 406 N 4.86 0.84 0.00 4.11 -2.65 -1.89 -1.81 117.51 120.97 3gxm h ILE 406 Ca 0.08 -0.10 -0.00 0.00 1.03 0.00 0.00 64.86 65.87 3gxm h ILE 406 Cb 1.02 0.52 -0.00 0.00 -2.05 0.00 0.00 36.82 36.30 3gxm h ILE 406 CO 0.74 0.05 -0.01 0.71 0.03 0.00 0.00 178.15 179.67 3gxm h THR 407 N 0.30 0.05 -0.05 0.16 1.35 -1.93 -2.90 112.91 109.89 3gxm h THR 407 Ca 0.28 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 3gxm h THR 407 Cb 0.68 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 3gxm h THR 407 CO -0.06 0.01 0.00 0.29 -0.25 0.00 0.00 175.52 175.51 3gxm n LYS 408 N -3.13 0.52 -4.16 4.72 5.02 -0.70 -4.98 118.16 115.46 3gxm n LYS 408 Ca -0.00 -1.11 -0.32 0.00 -2.02 0.00 0.00 58.31 54.85 3gxm n LYS 408 Cb 0.25 -1.16 -0.04 0.00 -0.02 0.00 0.00 35.03 34.07 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 0.41 -1.75 -4.06 4.39 2.03 -1.10 -4.97 116.55 111.50 3gxm n ASP 409 Ca 0.05 -1.05 -0.16 0.00 0.52 0.00 0.00 54.79 54.15 3gxm n ASP 409 Cb 0.22 -2.68 -0.13 0.00 -0.72 0.00 0.00 41.12 37.81 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 -3.64 0.71 0.15 5.18 -4.23 -1.13 -3.87 115.64 108.82 3gxm s THR 410 Ca 0.41 -0.81 0.08 0.00 -1.18 0.00 0.00 61.69 60.19 3gxm s THR 410 Cb -0.23 -0.68 -0.04 0.00 1.34 0.00 0.00 72.50 72.89 3gxm s THR 410 CO 0.93 -0.10 -0.18 0.72 -0.54 0.00 0.00 174.62 175.44 3gxm s PHE 411 N -0.84 1.79 -0.16 3.99 -0.12 0.17 -0.92 117.98 121.89 3gxm s PHE 411 Ca -0.02 -0.47 0.02 0.00 -0.05 0.00 0.00 56.93 56.41 3gxm s PHE 411 Cb -0.07 -0.91 0.01 0.00 -0.63 0.00 0.00 43.02 41.42 3gxm s PHE 411 CO 0.01 0.30 -0.20 0.71 -0.05 0.00 0.00 175.22 175.98 3gxm s TYR 412 N -1.90 2.73 -0.42 3.49 4.12 0.16 -0.88 117.35 124.66 3gxm s TYR 412 Ca 0.14 -1.47 -0.21 0.00 0.02 0.00 0.00 57.07 55.55 3gxm s TYR 412 Cb -0.06 -1.87 0.02 0.00 -1.52 0.00 0.00 41.96 38.52 3gxm s TYR 412 CO 0.06 -0.70 0.68 0.15 0.02 0.00 0.00 175.55 175.76 3gxm s LYS 413 N 1.05 3.43 0.70 -0.62 1.02 -0.23 -1.99 119.74 123.09 3gxm s LYS 413 Ca -0.01 -0.18 -0.11 0.00 0.02 0.00 0.00 55.97 55.69 3gxm s LYS 413 Cb -0.14 -3.91 0.01 0.00 -0.52 0.00 0.00 37.83 33.27 3gxm s LYS 413 CO -0.07 -0.96 1.06 -0.65 -0.92 0.00 0.00 175.35 173.81 3gxm s GLN 414 N 2.92 2.88 0.39 1.68 -1.52 -0.09 -1.50 119.66 124.42 3gxm s GLN 414 Ca 0.25 1.01 0.15 0.00 -1.95 0.00 0.00 55.36 54.82 3gxm s GLN 414 Cb -0.14 -1.98 1.01 0.00 -0.22 0.00 0.00 33.01 31.68 3gxm s GLN 414 CO 0.19 -1.14 1.83 -1.35 -0.25 0.00 0.00 175.29 174.56 3gxm h PRO 415 N -0.65 0.47 -0.91 2.91 0.11 -1.78 -1.49 132.00 130.66 3gxm h PRO 415 Ca -0.44 -0.03 0.17 0.00 0.11 0.00 0.00 66.00 65.82 3gxm h PRO 415 Cb 1.21 -0.11 -0.10 0.00 0.11 0.00 0.00 31.00 32.11 3gxm h PRO 415 CO 0.56 0.31 0.49 0.52 -0.21 0.00 0.00 178.00 179.67 3gxm h MET 416 N 0.49 0.61 -0.71 1.05 2.86 -1.87 0.70 114.93 118.06 3gxm h MET 416 Ca 0.51 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 58.16 3gxm h MET 416 Cb 1.16 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.63 3gxm h MET 416 CO -0.24 0.40 0.43 0.35 1.06 0.00 0.00 176.91 178.92 3gxm h PHE 417 N 0.63 0.81 0.04 -0.22 3.57 -1.47 -0.15 116.94 120.14 3gxm h PHE 417 Ca 0.52 0.02 -0.26 0.00 3.53 0.00 0.00 57.97 61.79 3gxm h PHE 417 Cb 0.81 -0.26 0.02 0.00 2.79 0.00 0.00 35.95 39.31 3gxm h PHE 417 CO -0.07 0.44 -1.02 1.88 -2.23 0.00 0.00 178.31 177.30 3gxm h TYR 418 N 0.83 0.95 -0.59 0.41 -1.99 -1.33 -2.00 116.97 113.25 3gxm h TYR 418 Ca 0.30 -0.55 0.09 0.00 2.00 0.00 0.00 58.73 60.57 3gxm h TYR 418 Cb 0.08 -0.10 -0.07 0.00 2.00 0.00 0.00 36.73 38.65 3gxm h TYR 418 CO -0.05 1.38 0.22 0.45 -0.00 0.00 0.00 178.16 180.16 3gxm h HIS 419 N 0.25 0.38 -0.52 4.88 3.86 -0.85 -0.73 115.15 122.42 3gxm h HIS 419 Ca -0.14 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 3gxm h HIS 419 Cb 1.70 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 30.06 3gxm h HIS 419 CO 0.12 0.10 0.32 -0.07 0.86 0.00 0.00 177.93 179.25 3gxm h LEU 420 N 0.40 0.62 -1.68 2.43 3.38 -1.06 -3.20 115.31 116.20 3gxm h LEU 420 Ca 0.29 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3gxm h LEU 420 Cb 0.35 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3gxm h LEU 420 CO -0.30 0.49 -0.09 1.23 0.09 0.00 0.00 178.44 179.86 3gxm h GLY 421 N 0.69 0.00 2.00 0.83 0.00 -0.44 -0.61 103.07 105.55 3gxm h GLY 421 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 3gxm h GLY 421 CO -0.04 0.00 -0.10 0.45 0.00 0.00 0.00 176.54 176.86 3gxm h HIS 422 N 0.00 0.00 0.00 5.60 3.86 -1.17 -2.22 115.15 121.22 3gxm h HIS 422 Ca -0.00 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.02 3gxm h HIS 422 Cb 0.46 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 3gxm h HIS 422 CO 0.00 0.10 -1.32 1.19 0.86 0.00 0.00 177.93 178.76 3gxm n PHE 423 N -4.18 0.64 0.18 2.45 3.01 -0.61 -4.53 117.46 114.41 3gxm n PHE 423 Ca -0.03 0.28 0.03 0.00 1.01 0.00 0.00 57.45 58.74 3gxm n PHE 423 Cb 0.18 -0.91 0.39 0.00 -0.01 0.00 0.00 39.48 39.13 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 -1.00 0.05 0.48 4.37 4.64 -1.14 -0.88 113.55 120.07 3gxm h SER 424 Ca -0.29 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 60.83 3gxm h SER 424 Cb 1.13 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 3gxm h SER 424 CO -0.18 0.34 -0.79 0.50 -0.87 0.00 0.00 176.83 175.83 3gxm h LYS 425 N 0.05 0.23 -0.07 4.77 3.64 -0.95 -3.35 116.57 120.88 3gxm h LYS 425 Ca 0.01 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3gxm h LYS 425 Cb 0.53 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3gxm h LYS 425 CO 0.04 0.91 0.00 1.19 -2.27 0.00 0.00 179.45 179.32 3gxm n PHE 426 N -3.74 0.09 -3.87 1.91 3.01 -1.03 -4.75 117.46 109.09 3gxm n PHE 426 Ca -0.03 -0.21 -0.30 0.00 1.01 0.00 0.00 57.45 57.91 3gxm n PHE 426 Cb 0.75 -0.02 -0.12 0.00 -0.01 0.00 0.00 39.48 40.08 3gxm n PHE 426 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3gxm s ILE 427 N -0.67 3.06 0.85 4.37 1.01 -0.36 -4.94 121.20 124.51 3gxm s ILE 427 Ca 0.08 -3.80 -0.11 0.00 0.00 0.00 0.00 60.65 56.82 3gxm s ILE 427 Cb 0.05 -3.02 0.10 0.00 0.01 0.00 0.00 42.46 39.60 3gxm s ILE 427 CO 0.07 -0.94 1.09 -2.16 0.00 0.00 0.00 174.94 173.00 3gxm s PRO 428 N -0.94 1.63 0.14 2.79 0.04 -1.26 -4.85 135.00 132.56 3gxm s PRO 428 Ca 0.22 0.95 -0.34 0.00 0.04 0.00 0.00 61.00 61.87 3gxm s PRO 428 Cb -0.13 -1.84 -0.14 0.00 0.04 0.00 0.00 34.50 32.43 3gxm s PRO 428 CO -0.09 -2.02 1.60 -1.91 0.04 0.00 0.00 177.00 174.62 3gxm n GLU 429 N -3.75 2.16 -0.06 4.56 2.13 -1.26 -2.10 120.64 122.33 3gxm n GLU 429 Ca 0.08 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.68 3gxm n GLU 429 Cb 0.54 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.70 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 3.50 0.45 3.76 8.31 0.00 0.82 -4.83 105.19 117.20 3gxm n GLY 430 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3gxm n GLY 430 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gxm s SER 431 N -2.65 5.74 -0.09 1.61 0.01 -0.89 -4.30 113.70 113.13 3gxm s SER 431 Ca 0.00 2.76 0.03 0.00 1.31 0.00 0.00 55.95 60.05 3gxm s SER 431 Cb 0.00 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 3gxm s SER 431 CO 0.00 -1.25 -0.19 -1.58 0.41 0.00 0.00 173.24 170.63 3gxm s GLN 432 N -2.61 2.96 0.08 12.44 0.74 -0.00 -0.62 119.66 132.63 3gxm s GLN 432 Ca 0.65 -0.79 -0.31 0.00 0.05 0.00 0.00 55.36 54.96 3gxm s GLN 432 Cb -0.40 -2.40 -0.07 0.00 1.10 0.00 0.00 33.01 31.24 3gxm s GLN 432 CO 0.50 0.32 1.35 0.50 -0.55 0.00 0.00 175.29 177.40 3gxm s ARG 433 N 0.04 4.34 0.43 1.67 3.52 -0.51 0.19 118.95 128.63 3gxm s ARG 433 Ca -0.07 1.98 0.06 0.00 -0.13 0.00 0.00 55.73 57.56 3gxm s ARG 433 Cb -0.15 -3.34 -0.06 0.00 -1.56 0.00 0.00 34.95 29.84 3gxm s ARG 433 CO 0.05 -0.42 0.01 0.14 -0.81 0.00 0.00 175.30 174.26 3gxm s VAL 434 N 1.37 1.79 0.71 7.11 -7.23 -0.73 0.90 120.40 124.33 3gxm s VAL 434 Ca 0.63 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.66 3gxm s VAL 434 Cb -0.34 -2.79 0.03 0.00 0.56 0.00 0.00 36.38 33.83 3gxm s VAL 434 CO 0.29 0.00 1.12 -0.83 -0.31 0.00 0.00 175.10 175.37 3gxm s GLY 435 N -3.75 2.05 -0.29 2.32 0.00 0.28 -4.39 107.32 103.54 3gxm s GLY 435 Ca 0.28 0.54 0.05 0.00 0.00 0.00 0.00 44.72 45.58 3gxm s GLY 435 CO 0.14 0.90 0.55 -2.27 0.00 0.00 0.00 173.10 172.42 3gxm s LEU 436 N -5.23 -1.44 -0.29 0.66 2.96 -1.26 -1.48 118.68 112.60 3gxm s LEU 436 Ca 0.67 0.08 -0.14 0.00 -0.22 0.00 0.00 54.13 54.52 3gxm s LEU 436 Cb -0.21 1.83 -0.04 0.00 0.50 0.00 0.00 46.19 48.28 3gxm s LEU 436 CO 0.46 -0.31 0.32 -0.69 -1.32 0.00 0.00 176.35 174.81 3gxm s VAL 437 N 2.77 5.21 0.32 1.68 1.01 -0.40 -4.85 120.40 126.14 3gxm s VAL 437 Ca 0.10 0.36 -0.28 0.00 0.00 0.00 0.00 61.98 62.16 3gxm s VAL 437 Cb -0.11 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 3gxm s VAL 437 CO -0.27 0.13 1.19 0.00 0.00 0.00 0.00 175.10 176.15 3gxm s ALA 438 N 1.98 3.39 -0.16 5.51 0.00 -1.26 -0.89 121.76 130.33 3gxm s ALA 438 Ca 0.12 1.04 0.15 0.00 0.00 0.00 0.00 51.96 53.28 3gxm s ALA 438 Cb -0.16 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.60 3gxm s ALA 438 CO 0.11 -0.40 1.35 0.66 0.00 0.00 0.00 175.76 177.47 3gxm h SER 439 N 3.43 0.00 -5.07 0.00 4.64 -1.59 -3.48 113.55 111.48 3gxm h SER 439 Ca -0.48 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.77 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 0.65 0.50 -0.13 0.00 -0.87 0.00 0.00 176.83 176.98 3gxm s GLN 440 N -2.97 0.96 0.31 4.77 -2.07 -1.26 -5.03 119.66 114.38 3gxm s GLN 440 Ca 0.03 -0.58 -0.29 0.00 -1.82 0.00 0.00 55.36 52.70 3gxm s GLN 440 Cb 0.08 0.42 -0.13 0.00 -1.09 0.00 0.00 33.01 32.29 3gxm s GLN 440 CO 0.76 -0.35 1.30 1.17 -1.32 0.00 0.00 175.29 176.85 3gxm n LYS 441 N 0.15 2.06 -4.00 9.60 4.81 -1.26 -4.98 118.16 124.53 3gxm n LYS 441 Ca -0.17 0.72 -0.10 0.00 -0.87 0.00 0.00 58.31 57.90 3gxm n LYS 441 Cb 0.62 -2.31 -0.05 0.00 0.02 0.00 0.00 35.03 33.31 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 -0.17 0.02 0.00 3.14 2.20 -1.26 -5.09 114.94 113.78 3gxm s ASN 442 Ca 0.59 -1.00 0.22 0.00 -0.94 0.00 0.00 52.86 51.72 3gxm s ASN 442 Cb -0.60 0.60 -0.11 0.00 -2.00 0.00 0.00 41.25 39.15 3gxm s ASN 442 CO 0.59 -1.18 0.99 0.47 -2.94 0.00 0.00 177.10 175.03 3gxm n ASP 443 N -0.54 1.14 -4.77 3.54 8.00 -1.26 -4.98 116.55 117.69 3gxm n ASP 443 Ca -0.02 -1.03 -0.36 0.00 0.71 0.00 0.00 54.79 54.10 3gxm n ASP 443 Cb 0.62 0.83 -0.00 0.00 -0.02 0.00 0.00 41.12 42.54 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 -2.90 3.86 -0.20 0.64 1.43 -1.26 -4.71 118.68 115.54 3gxm s LEU 444 Ca 0.10 2.25 -0.10 0.00 -1.03 0.00 0.00 54.13 55.36 3gxm s LEU 444 Cb 0.17 -4.43 -0.05 0.00 0.03 0.00 0.00 46.19 41.91 3gxm s LEU 444 CO 0.80 -1.10 0.12 -1.81 0.23 0.00 0.00 176.35 174.59 3gxm s ASP 445 N -1.57 6.15 -0.03 2.29 1.01 -0.58 -4.98 116.67 118.96 3gxm s ASP 445 Ca 0.69 0.21 -0.10 0.00 0.71 0.00 0.00 52.55 54.06 3gxm s ASP 445 Cb -0.26 -2.08 0.01 0.00 1.01 0.00 0.00 42.92 41.60 3gxm s ASP 445 CO 0.31 0.18 0.22 0.00 0.21 0.00 0.00 175.17 176.08 3gxm s ALA 446 N 0.39 -0.55 -0.06 5.23 0.00 -1.26 -0.33 121.76 125.19 3gxm s ALA 446 Ca 0.08 0.26 -0.17 0.00 0.00 0.00 0.00 51.96 52.12 3gxm s ALA 446 Cb -0.11 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 22.98 3gxm s ALA 446 CO -0.02 -0.19 0.40 0.54 0.00 0.00 0.00 175.76 176.49 3gxm s VAL 447 N -0.89 0.03 0.01 0.00 0.11 -1.03 -5.00 120.40 113.63 3gxm s VAL 447 Ca -0.10 -0.28 0.07 0.00 -2.93 0.00 0.00 61.98 58.75 3gxm s VAL 447 Cb -0.05 -0.67 -0.02 0.00 -1.53 0.00 0.00 36.38 34.11 3gxm s VAL 447 CO 0.02 -0.15 -0.22 0.00 -3.33 0.00 0.00 175.10 171.42 3gxm s ALA 448 N -0.90 1.86 0.05 1.54 0.00 -1.26 -1.87 121.76 121.18 3gxm s ALA 448 Ca -0.10 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 3gxm s ALA 448 Cb -0.04 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 3gxm s ALA 448 CO 0.04 0.44 -0.02 -0.51 0.00 0.00 0.00 175.76 175.72 3gxm s LEU 449 N -0.85 2.38 -0.14 0.00 1.02 -0.01 -1.77 118.68 119.31 3gxm s LEU 449 Ca 0.09 -0.88 -0.01 0.00 0.02 0.00 0.00 54.13 53.34 3gxm s LEU 449 Cb -0.09 0.23 -0.01 0.00 0.02 0.00 0.00 46.19 46.34 3gxm s LEU 449 CO 0.01 -0.55 -0.12 -0.04 0.02 0.00 0.00 176.35 175.67 3gxm s MET 450 N -3.45 3.39 0.77 1.70 -1.94 0.13 -0.85 119.30 119.05 3gxm s MET 450 Ca 0.03 -0.67 -0.13 0.00 -1.71 0.00 0.00 55.69 53.20 3gxm s MET 450 Cb 0.04 -2.69 0.06 0.00 2.01 0.00 0.00 34.83 34.26 3gxm s MET 450 CO -0.08 0.15 1.17 -1.01 -0.01 0.00 0.00 175.02 175.24 3gxm s HIS 451 N 0.52 2.07 0.34 -0.03 3.76 -0.27 -0.82 115.29 120.85 3gxm s HIS 451 Ca -0.08 1.64 0.13 0.00 -0.15 0.00 0.00 55.06 56.59 3gxm s HIS 451 Cb -0.16 -3.36 1.06 0.00 1.11 0.00 0.00 32.58 31.23 3gxm s HIS 451 CO 0.04 -2.46 1.62 -1.35 -0.85 0.00 0.00 174.74 171.74 3gxm h PRO 452 N -0.72 0.16 0.00 8.40 0.11 -1.88 0.41 132.00 138.48 3gxm h PRO 452 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gxm h PRO 452 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3gxm h PRO 452 CO 0.48 0.11 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 3gxm n ASP 453 N -5.20 0.00 0.00 -2.05 5.68 -1.26 -4.89 116.55 108.83 3gxm n ASP 453 Ca 0.31 -0.50 0.00 0.00 -0.50 0.00 0.00 54.79 54.09 3gxm n ASP 453 Cb 0.99 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.88 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 0.51 0.43 3.88 6.12 0.00 0.13 -5.05 105.19 111.22 3gxm n GLY 454 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.61 6.33 -0.14 1.61 1.04 -1.26 -4.58 113.70 114.09 3gxm s SER 455 Ca 0.00 1.22 -0.12 0.00 0.48 0.00 0.00 55.95 57.53 3gxm s SER 455 Cb 0.00 -2.37 -0.05 0.00 0.10 0.00 0.00 66.02 63.70 3gxm s SER 455 CO 0.00 -0.67 0.24 0.00 0.98 0.00 0.00 173.24 173.79 3gxm s ALA 456 N -2.85 3.69 -0.09 5.32 0.00 0.04 -1.11 121.76 126.77 3gxm s ALA 456 Ca 0.52 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.99 3gxm s ALA 456 Cb -0.11 -2.24 0.01 0.00 0.00 0.00 0.00 23.12 20.78 3gxm s ALA 456 CO 0.45 0.28 -0.17 0.54 0.00 0.00 0.00 175.76 176.86 3gxm s VAL 457 N -0.11 1.57 -0.06 0.00 0.11 -0.03 -1.90 120.40 119.98 3gxm s VAL 457 Ca 0.15 -0.71 0.02 0.00 -2.93 0.00 0.00 61.98 58.51 3gxm s VAL 457 Cb -0.13 -1.40 0.01 0.00 -1.53 0.00 0.00 36.38 33.33 3gxm s VAL 457 CO 0.04 0.45 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.45 3gxm s VAL 458 N 0.69 1.09 -0.17 2.04 1.01 -0.04 -0.83 120.40 124.19 3gxm s VAL 458 Ca -0.13 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 3gxm s VAL 458 Cb -0.16 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 3gxm s VAL 458 CO 0.03 0.34 -0.03 -0.69 0.00 0.00 0.00 175.10 174.75 3gxm s VAL 459 N 0.58 3.88 -0.22 2.92 1.01 -0.78 0.04 120.40 127.83 3gxm s VAL 459 Ca -0.12 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3gxm s VAL 459 Cb -0.15 -2.71 0.04 0.00 0.00 0.00 0.00 36.38 33.57 3gxm s VAL 459 CO 0.03 0.48 -0.12 -0.69 0.00 0.00 0.00 175.10 174.80 3gxm s VAL 460 N 0.51 1.89 -0.25 2.92 1.01 0.02 -2.47 120.40 124.03 3gxm s VAL 460 Ca -0.03 -1.20 -0.10 0.00 0.00 0.00 0.00 61.98 60.65 3gxm s VAL 460 Cb -0.14 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 3gxm s VAL 460 CO 0.03 0.17 0.15 -0.22 0.00 0.00 0.00 175.10 175.23 3gxm s LEU 461 N 1.28 4.00 -0.67 3.92 2.96 0.55 -0.95 118.68 129.77 3gxm s LEU 461 Ca -0.03 0.05 -0.09 0.00 -0.22 0.00 0.00 54.13 53.84 3gxm s LEU 461 Cb -0.17 -2.08 0.17 0.00 0.50 0.00 0.00 46.19 44.62 3gxm s LEU 461 CO -0.08 0.04 0.55 0.21 -1.32 0.00 0.00 176.35 175.75 3gxm s ASN 462 N 1.22 5.97 -0.00 3.68 3.84 -0.25 -1.53 114.94 127.87 3gxm s ASN 462 Ca 0.07 -2.54 0.01 0.00 0.21 0.00 0.00 52.86 50.60 3gxm s ASN 462 Cb -0.14 -2.04 0.04 0.00 -0.55 0.00 0.00 41.25 38.55 3gxm s ASN 462 CO 0.06 -0.54 0.91 0.54 -2.79 0.00 0.00 177.10 175.28 3gxm n ARG 463 N 4.06 1.11 -4.06 0.43 1.74 -1.26 -1.97 116.66 116.71 3gxm n ARG 463 Ca 0.06 -0.14 -0.24 0.00 -0.77 0.00 0.00 57.85 56.76 3gxm n ARG 463 Cb 0.42 -1.16 -0.06 0.00 -1.02 0.00 0.00 32.46 30.64 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 -0.76 4.58 0.00 0.55 1.04 -1.26 -4.82 113.70 113.03 3gxm s SER 464 Ca 0.03 -0.91 0.29 0.00 0.48 0.00 0.00 55.95 55.83 3gxm s SER 464 Cb 0.02 -0.59 1.19 0.00 0.10 0.00 0.00 66.02 66.73 3gxm s SER 464 CO 0.01 -0.44 1.88 -1.54 0.98 0.00 0.00 173.24 174.14 3gxm n SER 465 N -1.22 0.08 -4.50 7.02 3.41 -1.26 0.37 113.62 117.52 3gxm n SER 465 Ca -0.01 0.27 -0.34 0.00 -0.26 0.00 0.00 58.87 58.53 3gxm n SER 465 Cb 0.63 -0.36 -0.12 0.00 -0.26 0.00 0.00 64.21 64.10 3gxm n SER 465 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3gxm s LYS 466 N -2.92 3.67 0.24 4.33 2.20 -1.26 -4.34 119.74 121.66 3gxm s LYS 466 Ca 0.16 -0.52 -0.31 0.00 -0.36 0.00 0.00 55.97 54.94 3gxm s LYS 466 Cb 0.19 -2.92 -0.13 0.00 -1.51 0.00 0.00 37.83 33.46 3gxm s LYS 466 CO 0.54 0.24 1.51 -0.25 -0.36 0.00 0.00 175.35 177.03 3gxm n ASP 467 N 3.55 3.21 -4.09 1.43 9.92 -1.26 -3.74 116.55 125.57 3gxm n ASP 467 Ca -0.17 1.13 -0.32 0.00 -0.53 0.00 0.00 54.79 54.89 3gxm n ASP 467 Cb 0.52 -1.48 -0.15 0.00 -0.64 0.00 0.00 41.12 39.37 3gxm n ASP 467 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3gxm s VAL 468 N 0.22 2.11 0.22 2.53 1.01 0.90 -4.90 120.40 122.50 3gxm s VAL 468 Ca 0.69 -1.33 -0.31 0.00 0.00 0.00 0.00 61.98 61.03 3gxm s VAL 468 Cb -0.60 -2.09 -0.11 0.00 0.00 0.00 0.00 36.38 33.57 3gxm s VAL 468 CO 0.46 0.22 1.64 -2.84 0.00 0.00 0.00 175.10 174.58 3gxm s PRO 469 N 1.19 4.15 -0.01 2.72 0.02 -1.26 -0.47 135.00 141.33 3gxm s PRO 469 Ca -0.03 2.54 0.02 0.00 0.02 0.00 0.00 61.00 63.55 3gxm s PRO 469 Cb -0.17 -3.08 -0.00 0.00 0.02 0.00 0.00 34.50 31.27 3gxm s PRO 469 CO -0.08 -0.68 -0.07 -1.17 -0.33 0.00 0.00 177.00 174.67 3gxm s LEU 470 N 0.64 1.91 -0.07 -5.54 2.96 -0.45 -3.81 118.68 114.32 3gxm s LEU 470 Ca 0.70 -0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.51 3gxm s LEU 470 Cb -0.48 -0.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.78 3gxm s LEU 470 CO 0.37 0.07 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.39 3gxm s THR 471 N -0.01 2.64 -0.19 3.68 2.01 -0.19 -0.41 115.64 123.18 3gxm s THR 471 Ca 0.00 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.12 3gxm s THR 471 Cb -0.05 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.43 3gxm s THR 471 CO -0.00 0.57 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.81 3gxm s ILE 472 N -0.30 3.39 -0.19 1.82 1.01 0.21 -0.49 121.20 126.65 3gxm s ILE 472 Ca 0.01 -0.51 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 3gxm s ILE 472 Cb -0.13 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 3gxm s ILE 472 CO 0.03 0.46 0.07 -0.75 0.00 0.00 0.00 174.94 174.74 3gxm s LYS 473 N 1.04 3.94 -0.29 2.79 2.20 0.13 -0.33 119.74 129.22 3gxm s LYS 473 Ca 0.00 -0.36 -0.07 0.00 -0.36 0.00 0.00 55.97 55.19 3gxm s LYS 473 Cb -0.15 -3.24 -0.00 0.00 -1.51 0.00 0.00 37.83 32.93 3gxm s LYS 473 CO -0.00 0.21 0.08 0.34 -0.36 0.00 0.00 175.35 175.62 3gxm s ASP 474 N 0.54 5.15 0.47 1.43 -1.08 -0.21 -0.20 116.67 122.77 3gxm s ASP 474 Ca 0.03 -0.58 0.34 0.00 -0.52 0.00 0.00 52.55 51.83 3gxm s ASP 474 Cb -0.13 -1.90 1.48 0.00 -1.46 0.00 0.00 42.92 40.91 3gxm s ASP 474 CO 0.01 -0.16 1.64 -0.65 0.52 0.00 0.00 175.17 176.54 3gxm h PRO 475 N 8.25 0.08 0.00 4.34 0.10 -1.83 0.14 132.00 143.07 3gxm h PRO 475 Ca -0.33 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.76 3gxm h PRO 475 Cb 1.14 -0.02 0.00 0.00 0.10 0.00 0.00 31.00 32.22 3gxm h PRO 475 CO 0.60 0.05 -0.70 0.00 0.10 0.00 0.00 178.00 178.06 3gxm h ALA 476 N 1.47 0.62 0.00 -0.75 0.00 -1.95 -3.41 119.26 115.24 3gxm h ALA 476 Ca 0.80 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.71 3gxm h ALA 476 Cb 2.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.49 3gxm h ALA 476 CO -0.29 0.00 -0.81 0.28 0.00 0.00 0.00 179.25 178.43 3gxm n VAL 477 N -2.60 0.00 0.00 0.00 0.31 -0.75 -4.99 118.33 110.30 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 0.51 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 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 3.00 0.45 3.38 2.92 0.00 0.42 -4.67 105.19 110.69 3gxm n GLY 478 Ca 0.00 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.29 2.75 -0.41 1.61 0.40 0.25 -1.05 117.98 119.24 3gxm s PHE 479 Ca 0.00 -0.55 -0.10 0.00 -0.60 0.00 0.00 56.93 55.68 3gxm s PHE 479 Cb 0.00 -1.77 0.06 0.00 0.51 0.00 0.00 43.02 41.83 3gxm s PHE 479 CO 0.00 -0.12 0.26 -1.17 0.70 0.00 0.00 175.22 174.89 3gxm s LEU 480 N 0.05 5.09 -0.10 -0.37 0.20 0.55 -0.45 118.68 123.64 3gxm s LEU 480 Ca -0.05 -1.34 -0.21 0.00 0.69 0.00 0.00 54.13 53.21 3gxm s LEU 480 Cb -0.15 -2.02 -0.04 0.00 -0.43 0.00 0.00 46.19 43.56 3gxm s LEU 480 CO 0.04 -0.51 0.60 -1.61 -0.29 0.00 0.00 176.35 174.58 3gxm s GLU 481 N 1.49 4.37 0.33 1.98 0.41 -1.26 -0.62 118.70 125.40 3gxm s GLU 481 Ca 0.03 0.67 -0.06 0.00 -0.41 0.00 0.00 54.97 55.20 3gxm s GLU 481 Cb -0.22 -3.46 0.03 0.00 -1.78 0.00 0.00 34.13 28.70 3gxm s GLU 481 CO 0.04 0.07 0.54 -2.37 -0.49 0.00 0.00 175.26 173.06 3gxm n THR 482 N 3.82 0.00 -4.00 3.63 5.66 0.45 -5.02 114.28 118.83 3gxm n THR 482 Ca -0.04 -1.29 -0.16 0.00 -3.05 0.00 0.00 64.05 59.52 3gxm n THR 482 Cb 0.51 0.93 -0.15 0.00 -1.55 0.00 0.00 70.33 70.07 3gxm n THR 482 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3gxm s ILE 483 N -2.54 0.23 -0.57 1.09 1.01 -1.26 -1.34 121.20 117.82 3gxm s ILE 483 Ca 0.21 -0.04 -0.15 0.00 0.00 0.00 0.00 60.65 60.67 3gxm s ILE 483 Cb -0.02 -0.25 0.14 0.00 0.01 0.00 0.00 42.46 42.34 3gxm s ILE 483 CO 0.15 0.11 0.52 -0.55 0.00 0.00 0.00 174.94 175.16 3gxm s SER 484 N 0.43 6.20 0.79 3.58 0.15 0.38 -4.92 113.70 120.30 3gxm s SER 484 Ca -0.04 -1.92 -0.14 0.00 0.70 0.00 0.00 55.95 54.55 3gxm s SER 484 Cb -0.07 -2.19 0.05 0.00 -1.71 0.00 0.00 66.02 62.11 3gxm s SER 484 CO -0.01 -0.80 1.07 -2.65 1.20 0.00 0.00 173.24 172.05 3gxm n PRO 485 N 5.05 0.26 -1.76 5.44 -0.02 -1.26 -0.07 135.00 142.63 3gxm n PRO 485 Ca -0.10 0.16 -0.40 0.00 -2.02 0.00 0.00 63.50 61.14 3gxm n PRO 485 Cb 0.41 -2.33 0.02 0.00 -0.02 0.00 0.00 33.50 31.58 3gxm n PRO 485 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxm n GLY 486 N 0.79 0.97 3.69 -1.23 0.00 -1.25 -3.31 105.19 104.86 3gxm n GLY 486 Ca 0.13 0.17 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 3gxm n GLY 486 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxm n TYR 487 N -0.30 -1.96 -4.09 1.61 4.02 0.16 -4.77 117.16 111.83 3gxm n TYR 487 Ca 0.06 0.51 -0.09 0.00 -0.01 0.00 0.00 57.90 58.38 3gxm n TYR 487 Cb 0.42 -3.33 -0.10 0.00 -0.02 0.00 0.00 39.34 36.31 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 -3.37 0.61 -0.04 7.72 1.04 -1.00 -1.87 113.70 116.80 3gxm s SER 488 Ca 0.38 -0.88 0.02 0.00 0.48 0.00 0.00 55.95 55.95 3gxm s SER 488 Cb -0.15 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.13 3gxm s SER 488 CO 0.87 -0.49 -0.10 -0.51 0.98 0.00 0.00 173.24 173.99 3gxm s ILE 489 N -3.25 0.90 0.02 -1.02 2.07 -0.08 -1.09 121.20 118.75 3gxm s ILE 489 Ca 0.03 -0.39 0.07 0.00 -1.41 0.00 0.00 60.65 58.95 3gxm s ILE 489 Cb 0.03 -0.82 -0.02 0.00 0.13 0.00 0.00 42.46 41.78 3gxm s ILE 489 CO -0.07 0.29 -0.22 -1.00 -1.91 0.00 0.00 174.94 172.03 3gxm s HIS 490 N 0.41 1.95 -0.17 3.50 3.76 -0.12 -1.80 115.29 122.82 3gxm s HIS 490 Ca -0.08 -0.38 -0.00 0.00 -0.15 0.00 0.00 55.06 54.46 3gxm s HIS 490 Cb -0.12 -1.21 0.00 0.00 1.11 0.00 0.00 32.58 32.37 3gxm s HIS 490 CO 0.01 0.04 -0.15 0.99 -0.85 0.00 0.00 174.74 174.78 3gxm s THR 491 N -0.67 2.57 -0.08 1.30 2.01 -0.10 -0.80 115.64 119.87 3gxm s THR 491 Ca 0.09 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 3gxm s THR 491 Cb -0.09 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 3gxm s THR 491 CO 0.01 0.51 0.11 -0.31 -0.69 0.00 0.00 174.62 174.24 3gxm s TYR 492 N 1.07 3.45 -0.00 4.92 1.51 0.11 -0.63 117.35 127.77 3gxm s TYR 492 Ca -0.00 0.38 0.01 0.00 -1.01 0.00 0.00 57.07 56.45 3gxm s TYR 492 Cb -0.14 -1.86 -0.00 0.00 -0.11 0.00 0.00 41.96 39.85 3gxm s TYR 492 CO -0.05 0.64 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.48 3gxm s LEU 493 N -1.27 2.02 -0.11 -1.29 1.02 0.23 -0.86 118.68 118.42 3gxm s LEU 493 Ca 0.18 -0.09 -0.25 0.00 0.02 0.00 0.00 54.13 53.99 3gxm s LEU 493 Cb -0.12 -0.20 0.06 0.00 0.02 0.00 0.00 46.19 45.95 3gxm s LEU 493 CO 0.08 0.04 0.59 -1.66 0.02 0.00 0.00 176.35 175.42 3gxm s TRP 494 N -0.14 -0.58 0.52 0.29 -2.14 -0.80 -0.97 118.94 115.13 3gxm s TRP 494 Ca 0.01 1.16 -0.22 0.00 2.66 0.00 0.00 56.10 59.71 3gxm s TRP 494 Cb -0.02 0.29 -0.05 0.00 -3.10 0.00 0.00 33.47 30.59 3gxm s TRP 494 CO -0.00 -0.47 1.28 -1.01 -2.66 0.00 0.00 176.95 174.09 3gxm s HIS 495 N -0.68 2.47 -0.43 1.66 3.76 -1.26 -0.78 115.29 120.03 3gxm s HIS 495 Ca -0.08 1.44 0.14 0.00 -0.15 0.00 0.00 55.06 56.41 3gxm s HIS 495 Cb -0.02 -3.64 -0.17 0.00 1.11 0.00 0.00 32.58 29.86 3gxm s HIS 495 CO 0.06 -2.41 0.48 0.54 -0.85 0.00 0.00 174.74 172.57 3gxm n ARG 496 N -0.92 1.85 0.00 1.40 1.74 -1.26 -4.64 116.66 114.83 3gxm n ARG 496 Ca 0.10 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 3gxm n ARG 496 Cb 0.46 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 3gxm n ARG 496 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11