#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxi s ARG 2 N 0.00 2.97 0.72 0.00 1.81 -1.18 -4.97 118.95 118.30 3gxi s ARG 2 Ca 0.00 -0.85 -0.11 0.00 -1.72 0.00 0.00 55.73 53.05 3gxi s ARG 2 Cb 0.00 -2.28 0.02 0.00 -0.45 0.00 0.00 34.95 32.24 3gxi s ARG 2 CO 0.00 0.13 1.08 -1.25 -0.68 0.00 0.00 175.30 174.58 3gxi s PRO 3 N 0.47 2.70 0.25 3.54 0.04 -1.26 -1.83 135.00 138.91 3gxi s PRO 3 Ca -0.16 0.68 -0.31 0.00 0.04 0.00 0.00 61.00 61.26 3gxi s PRO 3 Cb -0.17 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 3gxi s PRO 3 CO 0.06 -1.19 1.57 0.00 0.04 0.00 0.00 177.00 177.47 3gxi s ILE 5 N 0.36 4.79 0.41 0.00 -1.09 -1.26 -5.01 121.20 119.40 3gxi s ILE 5 Ca 0.65 -0.47 -0.22 0.00 -2.23 0.00 0.00 60.65 58.37 3gxi s ILE 5 Cb -0.46 -4.37 -0.10 0.00 -1.58 0.00 0.00 42.46 35.95 3gxi s ILE 5 CO 0.42 -0.91 0.97 -2.16 -1.23 0.00 0.00 174.94 172.03 3gxi s PRO 6 N 2.84 4.23 -0.07 2.79 0.04 -1.26 -0.95 135.00 142.62 3gxi s PRO 6 Ca 0.16 1.24 -0.05 0.00 0.04 0.00 0.00 61.00 62.39 3gxi s PRO 6 Cb -0.19 -2.32 0.02 0.00 0.04 0.00 0.00 34.50 32.05 3gxi s PRO 6 CO 0.12 -0.04 0.17 0.21 0.04 0.00 0.00 177.00 177.50 3gxi s LYS 7 N -2.90 0.18 -0.00 4.56 2.20 -0.46 -4.89 119.74 118.42 3gxi s LYS 7 Ca 0.60 0.29 -0.02 0.00 -0.36 0.00 0.00 55.97 56.48 3gxi s LYS 7 Cb -0.13 0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.17 3gxi s LYS 7 CO 0.18 -0.07 0.15 0.45 -0.36 0.00 0.00 175.35 175.70 3gxi s SER 8 N 0.42 6.16 -0.12 1.43 0.15 -1.26 -1.16 113.70 119.33 3gxi s SER 8 Ca -0.03 0.28 0.14 0.00 0.70 0.00 0.00 55.95 57.05 3gxi s SER 8 Cb -0.04 -1.89 0.30 0.00 -1.71 0.00 0.00 66.02 62.68 3gxi s SER 8 CO -0.02 0.26 1.15 0.49 1.20 0.00 0.00 173.24 176.32 3gxi n PHE 9 N 0.98 0.00 -0.50 3.44 3.01 -1.26 -4.97 117.46 118.15 3gxi n PHE 9 Ca -0.11 -0.96 0.00 0.00 1.01 0.00 0.00 57.45 57.39 3gxi n PHE 9 Cb 0.53 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 3gxi n PHE 9 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gxi n GLY 10 N -0.95 0.75 1.17 1.37 0.00 -1.26 -4.92 105.19 101.35 3gxi n GLY 10 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 3gxi n GLY 10 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxi n TYR 11 N -2.32 -2.51 0.24 1.61 4.02 -1.26 -5.00 117.16 111.94 3gxi n TYR 11 Ca 0.00 -0.65 0.12 0.00 -0.01 0.00 0.00 57.90 57.36 3gxi n TYR 11 Cb 0.00 -0.16 0.56 0.00 -0.02 0.00 0.00 39.34 39.72 3gxi n TYR 11 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3gxi h SER 12 N 0.06 0.00 -1.72 7.72 4.64 -1.90 -3.46 113.55 118.89 3gxi h SER 12 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3gxi h SER 12 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3gxi h SER 12 CO 0.12 0.15 0.00 -0.24 -0.87 0.00 0.00 176.83 176.00 3gxi n SER 13 N -3.35 0.28 -4.77 4.97 2.88 -0.20 -4.86 113.62 108.57 3gxi n SER 13 Ca -0.00 -0.79 -0.23 0.00 -1.33 0.00 0.00 58.87 56.51 3gxi n SER 13 Cb 0.37 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.77 3gxi n SER 13 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3gxi s VAL 14 N -1.62 4.18 0.36 2.46 -7.23 -1.25 -4.55 120.40 112.74 3gxi s VAL 14 Ca 0.00 -1.44 0.04 0.00 -1.81 0.00 0.00 61.98 58.77 3gxi s VAL 14 Cb 0.00 -3.22 -0.01 0.00 0.56 0.00 0.00 36.38 33.71 3gxi s VAL 14 CO 0.00 -0.28 0.52 0.68 -0.31 0.00 0.00 175.10 175.70 3gxi s VAL 15 N -2.05 4.22 -0.20 1.32 -7.23 -0.31 -4.35 120.40 111.80 3gxi s VAL 15 Ca 0.32 -0.84 -0.07 0.00 -1.81 0.00 0.00 61.98 59.58 3gxi s VAL 15 Cb -0.08 -3.49 -0.03 0.00 0.56 0.00 0.00 36.38 33.33 3gxi s VAL 15 CO 0.23 -0.24 0.04 0.00 -0.31 0.00 0.00 175.10 174.83 3gxi s VAL 17 N 0.73 5.16 0.18 0.00 1.01 -0.12 -0.96 120.40 126.40 3gxi s VAL 17 Ca 0.02 0.84 0.09 0.00 0.00 0.00 0.00 61.98 62.93 3gxi s VAL 17 Cb -0.14 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3gxi s VAL 17 CO 0.02 0.24 -0.18 0.00 0.00 0.00 0.00 175.10 175.17 3gxi n ASN 19 N 0.18 0.00 0.24 0.00 0.23 -0.00 -1.13 115.26 114.78 3gxi n ASN 19 Ca -0.12 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.03 3gxi n ASN 19 Cb 0.57 0.00 0.59 0.00 -2.08 0.00 0.00 39.78 38.86 3gxi n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gxi h ALA 20 N 1.64 1.24 -0.00 -2.53 0.00 -1.91 -3.26 119.26 114.44 3gxi h ALA 20 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3gxi h ALA 20 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3gxi h ALA 20 CO 0.00 0.24 -0.06 0.25 0.00 0.00 0.00 179.25 179.69 3gxi n THR 21 N -3.67 0.00 -3.75 0.00 -2.24 -1.26 -4.06 114.28 99.31 3gxi n THR 21 Ca -0.01 -0.47 -0.13 0.00 -2.27 0.00 0.00 64.05 61.16 3gxi n THR 21 Cb 0.32 1.02 -0.14 0.00 -2.10 0.00 0.00 70.33 69.42 3gxi n THR 21 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3gxi s TYR 22 N -0.79 -0.19 -0.10 4.78 5.04 -1.23 -5.14 117.35 119.72 3gxi s TYR 22 Ca 0.01 0.53 -0.17 0.00 -2.44 0.00 0.00 57.07 55.01 3gxi s TYR 22 Cb 0.02 -0.06 0.04 0.00 0.35 0.00 0.00 41.96 42.31 3gxi s TYR 22 CO 0.06 -0.18 0.42 0.00 -1.34 0.00 0.00 175.55 174.52 3gxi s ASP 24 N -0.51 5.78 0.27 0.00 -4.77 -1.26 -4.77 116.67 111.40 3gxi s ASP 24 Ca -0.06 2.92 -0.17 0.00 -3.30 0.00 0.00 52.55 51.94 3gxi s ASP 24 Cb -0.03 -2.65 0.01 0.00 -1.09 0.00 0.00 42.92 39.15 3gxi s ASP 24 CO 0.03 -1.24 0.61 -0.94 0.70 0.00 0.00 175.17 174.33 3gxi s SER 25 N -0.54 -0.16 0.17 2.11 1.04 -0.76 -4.94 113.70 110.62 3gxi s SER 25 Ca 0.62 -0.78 0.07 0.00 0.48 0.00 0.00 55.95 56.35 3gxi s SER 25 Cb -0.44 0.67 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 3gxi s SER 25 CO 0.56 -1.27 0.04 -0.36 0.98 0.00 0.00 173.24 173.19 3gxi s PHE 26 N -3.91 2.93 0.65 5.02 0.40 -0.25 -2.60 117.98 120.22 3gxi s PHE 26 Ca 0.16 -0.10 -0.13 0.00 -0.60 0.00 0.00 56.93 56.25 3gxi s PHE 26 Cb -0.04 -1.41 -0.01 0.00 0.51 0.00 0.00 43.02 42.07 3gxi s PHE 26 CO 0.08 0.52 1.06 -0.51 0.70 0.00 0.00 175.22 177.08 3gxi s ASP 27 N -3.02 5.52 0.49 1.36 1.01 -1.26 -4.47 116.67 116.30 3gxi s ASP 27 Ca 0.29 1.75 -0.21 0.00 0.71 0.00 0.00 52.55 55.08 3gxi s ASP 27 Cb -0.09 -2.52 -0.10 0.00 1.01 0.00 0.00 42.92 41.22 3gxi s ASP 27 CO 0.20 -1.34 0.69 -2.65 0.21 0.00 0.00 175.17 172.27 3gxi n PRO 28 N -2.56 0.76 -1.75 8.23 -0.02 -1.26 -4.81 135.00 133.59 3gxi n PRO 28 Ca 0.08 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 3gxi n PRO 28 Cb 0.53 -1.76 -0.02 0.00 -0.02 0.00 0.00 33.50 32.23 3gxi n PRO 28 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3gxi s PRO 29 N -1.97 4.11 -0.18 0.52 0.02 -1.26 -5.00 135.00 131.24 3gxi s PRO 29 Ca 0.66 2.60 -0.08 0.00 0.02 0.00 0.00 61.00 64.21 3gxi s PRO 29 Cb -0.52 -3.03 0.08 0.00 0.02 0.00 0.00 34.50 31.05 3gxi s PRO 29 CO 0.55 -0.67 0.40 0.99 -0.33 0.00 0.00 177.00 177.95 3gxi s THR 30 N 0.23 -0.42 0.00 0.99 2.01 -1.26 -5.17 115.64 112.01 3gxi s THR 30 Ca 0.66 0.15 0.07 0.00 0.31 0.00 0.00 61.69 62.88 3gxi s THR 30 Cb -0.49 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 3gxi s THR 30 CO 0.45 0.06 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.87 3gxi s PHE 31 N 2.19 1.93 0.97 4.92 0.08 -1.26 -5.11 117.98 121.71 3gxi s PHE 31 Ca -0.04 -0.37 -0.14 0.00 0.12 0.00 0.00 56.93 56.50 3gxi s PHE 31 Cb -0.11 -1.22 0.17 0.00 -0.57 0.00 0.00 43.02 41.30 3gxi s PHE 31 CO -0.12 0.00 1.18 -1.25 -0.10 0.00 0.00 175.22 174.93 3gxi s PRO 32 N -0.69 0.68 0.72 0.24 0.04 -1.26 -5.05 135.00 129.67 3gxi s PRO 32 Ca 0.08 0.06 -0.15 0.00 0.04 0.00 0.00 61.00 61.04 3gxi s PRO 32 Cb -0.09 -1.81 0.03 0.00 0.04 0.00 0.00 34.50 32.68 3gxi s PRO 32 CO -0.00 -2.47 1.19 0.00 0.04 0.00 0.00 177.00 175.77 3gxi s ALA 33 N -3.39 2.16 -0.01 8.56 0.00 -1.26 -4.59 121.76 123.24 3gxi s ALA 33 Ca 0.67 0.83 -0.40 0.00 0.00 0.00 0.00 51.96 53.06 3gxi s ALA 33 Cb -0.11 -3.45 -0.19 0.00 0.00 0.00 0.00 23.12 19.37 3gxi s ALA 33 CO 0.53 -1.80 1.15 -0.11 0.00 0.00 0.00 175.76 175.54 3gxi n LEU 34 N -2.69 0.37 0.00 0.00 7.94 -1.26 -1.13 117.00 120.22 3gxi n LEU 34 Ca 0.13 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.18 3gxi n LEU 34 Cb 0.50 -0.97 0.00 0.00 0.53 0.00 0.00 43.42 43.49 3gxi n LEU 34 CO 0.48 -1.69 0.00 0.61 -1.11 0.00 0.00 177.39 175.68 3gxi n GLY 35 N 1.83 0.25 3.33 -3.96 0.00 -1.26 -5.06 105.19 100.33 3gxi n GLY 35 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 3gxi n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gxi s THR 36 N -2.02 2.04 0.25 2.61 2.01 -0.29 0.16 115.64 120.41 3gxi s THR 36 Ca 0.00 -1.46 0.12 0.00 0.31 0.00 0.00 61.69 60.65 3gxi s THR 36 Cb 0.00 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.69 3gxi s THR 36 CO 0.00 0.22 -0.19 0.72 -0.69 0.00 0.00 174.62 174.68 3gxi s PHE 37 N -0.90 2.33 -0.07 4.92 -0.12 0.10 -4.45 117.98 119.79 3gxi s PHE 37 Ca 0.11 -0.33 0.01 0.00 -0.05 0.00 0.00 56.93 56.67 3gxi s PHE 37 Cb -0.10 -1.06 -0.03 0.00 -0.63 0.00 0.00 43.02 41.21 3gxi s PHE 37 CO 0.03 0.64 -0.07 -1.12 -0.05 0.00 0.00 175.22 174.65 3gxi s SER 38 N -3.26 4.61 -0.08 1.98 0.01 -0.31 -2.11 113.70 114.54 3gxi s SER 38 Ca 0.27 -0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.52 3gxi s SER 38 Cb -0.06 -1.15 0.01 0.00 0.21 0.00 0.00 66.02 65.03 3gxi s SER 38 CO 0.14 0.36 -0.14 -0.60 0.41 0.00 0.00 173.24 173.41 3gxi s ARG 39 N -0.79 1.96 -0.14 12.44 3.52 0.36 -0.83 118.95 135.47 3gxi s ARG 39 Ca 0.12 -0.50 -0.03 0.00 -0.13 0.00 0.00 55.73 55.20 3gxi s ARG 39 Cb -0.11 -1.61 -0.03 0.00 -1.56 0.00 0.00 34.95 31.65 3gxi s ARG 39 CO 0.01 0.03 -0.05 0.71 -0.81 0.00 0.00 175.30 175.19 3gxi s TYR 40 N 0.70 2.99 -0.06 5.12 1.51 -0.12 -0.96 117.35 126.53 3gxi s TYR 40 Ca -0.14 -0.30 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 3gxi s TYR 40 Cb -0.16 -1.91 0.01 0.00 -0.11 0.00 0.00 41.96 39.80 3gxi s TYR 40 CO 0.03 -0.01 -0.10 -2.00 -1.11 0.00 0.00 175.55 172.36 3gxi s GLU 41 N 0.20 1.46 0.03 -0.62 2.12 -0.14 -0.25 118.70 121.50 3gxi s GLU 41 Ca -0.03 -0.34 0.08 0.00 0.36 0.00 0.00 54.97 55.04 3gxi s GLU 41 Cb -0.14 -1.25 -0.03 0.00 0.26 0.00 0.00 34.13 32.97 3gxi s GLU 41 CO 0.03 0.01 -0.24 -1.12 -0.54 0.00 0.00 175.26 173.40 3gxi s SER 42 N 0.68 2.86 0.04 -1.70 0.01 -0.49 -0.99 113.70 114.11 3gxi s SER 42 Ca -0.13 -0.53 0.03 0.00 1.31 0.00 0.00 55.95 56.62 3gxi s SER 42 Cb -0.15 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.79 3gxi s SER 42 CO 0.03 0.24 -0.09 0.42 0.41 0.00 0.00 173.24 174.24 3gxi s THR 43 N -0.74 0.67 0.33 1.44 -4.23 -0.49 -1.07 115.64 111.53 3gxi s THR 43 Ca 0.10 -1.06 0.08 0.00 -1.18 0.00 0.00 61.69 59.63 3gxi s THR 43 Cb -0.09 -0.70 0.32 0.00 1.34 0.00 0.00 72.50 73.36 3gxi s THR 43 CO 0.01 -0.30 1.81 -0.09 -0.54 0.00 0.00 174.62 175.52 3gxi h ARG 44 N 4.59 0.71 0.00 3.99 2.43 -1.51 -0.83 114.38 123.76 3gxi h ARG 44 Ca -0.36 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3gxi h ARG 44 Cb 1.20 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3gxi h ARG 44 CO 0.41 0.47 0.00 -1.13 -1.51 0.00 0.00 179.97 178.21 3gxi n SER 45 N -4.67 0.19 0.00 -3.80 3.41 -1.26 -4.53 113.62 102.95 3gxi n SER 45 Ca 0.21 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.39 3gxi n SER 45 Cb 0.56 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3gxi n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gxi n GLY 46 N -0.70 0.61 3.76 5.00 0.00 -0.32 -5.01 105.19 108.54 3gxi n GLY 46 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3gxi n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gxi s ARG 47 N 0.00 4.52 -0.27 1.61 0.52 -1.23 -4.85 118.95 119.25 3gxi s ARG 47 Ca 0.00 1.98 -0.01 0.00 -0.52 0.00 0.00 55.73 57.18 3gxi s ARG 47 Cb 0.00 -3.14 0.08 0.00 0.52 0.00 0.00 34.95 32.41 3gxi s ARG 47 CO 0.00 0.03 0.05 1.03 0.02 0.00 0.00 175.30 176.43 3gxi s ARG 48 N -1.52 0.93 -1.51 3.54 1.81 -1.25 -1.40 118.95 119.55 3gxi s ARG 48 Ca 0.47 -0.98 -0.06 0.00 -1.72 0.00 0.00 55.73 53.44 3gxi s ARG 48 Cb -0.35 -2.22 0.05 0.00 -0.45 0.00 0.00 34.95 31.97 3gxi s ARG 48 CO 0.46 -0.84 0.50 -1.33 -0.68 0.00 0.00 175.30 173.41 3gxi n MET 49 N 4.81 -3.12 -2.65 3.54 2.81 -0.82 -4.91 117.12 116.79 3gxi n MET 49 Ca -0.05 0.37 -0.41 0.00 -1.81 0.00 0.00 57.70 55.80 3gxi n MET 49 Cb 0.43 -4.63 -0.04 0.00 -0.71 0.00 0.00 33.22 28.27 3gxi n MET 49 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3gxi s GLU 50 N -6.73 4.64 -0.06 0.03 2.02 -0.16 -4.58 118.70 113.86 3gxi s GLU 50 Ca 0.23 1.54 -0.11 0.00 0.02 0.00 0.00 54.97 56.65 3gxi s GLU 50 Cb -0.12 -3.35 -0.05 0.00 0.10 0.00 0.00 34.13 30.70 3gxi s GLU 50 CO 0.91 0.13 0.28 -1.17 0.02 0.00 0.00 175.26 175.42 3gxi s LEU 51 N 0.05 4.42 0.17 1.80 2.96 -1.26 -0.97 118.68 125.85 3gxi s LEU 51 Ca 0.49 0.71 -0.08 0.00 -0.22 0.00 0.00 54.13 55.03 3gxi s LEU 51 Cb -0.25 -2.34 -0.01 0.00 0.50 0.00 0.00 46.19 44.08 3gxi s LEU 51 CO 0.31 0.35 0.26 -0.94 -1.32 0.00 0.00 176.35 175.01 3gxi s SER 52 N -0.95 0.07 0.14 3.68 1.04 -0.14 -5.00 113.70 112.53 3gxi s SER 52 Ca 0.19 -0.94 0.06 0.00 0.48 0.00 0.00 55.95 55.74 3gxi s SER 52 Cb -0.14 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 3gxi s SER 52 CO 0.09 -0.89 -0.13 -0.04 0.98 0.00 0.00 173.24 173.25 3gxi s MET 53 N -3.99 1.06 0.25 4.02 -1.94 -1.26 -0.49 119.30 116.94 3gxi s MET 53 Ca 0.19 -1.33 -0.09 0.00 -1.71 0.00 0.00 55.69 52.76 3gxi s MET 53 Cb 0.04 -0.83 0.03 0.00 2.01 0.00 0.00 34.83 36.08 3gxi s MET 53 CO 0.01 0.14 0.48 0.41 -0.01 0.00 0.00 175.02 176.06 3gxi n GLY 54 N 0.24 1.44 3.85 -0.03 0.00 -0.90 -4.98 105.19 104.81 3gxi n GLY 54 Ca -0.13 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 3gxi n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxi s PRO 55 N -2.09 3.99 -0.32 1.61 0.04 -1.26 -0.72 135.00 136.25 3gxi s PRO 55 Ca 0.11 0.53 -0.10 0.00 0.04 0.00 0.00 61.00 61.58 3gxi s PRO 55 Cb -0.03 -2.81 -0.01 0.00 0.04 0.00 0.00 34.50 31.69 3gxi s PRO 55 CO 0.08 0.40 0.17 0.42 0.04 0.00 0.00 177.00 178.11 3gxi s ILE 56 N -1.60 4.74 0.14 0.56 1.01 0.12 -4.59 121.20 121.58 3gxi s ILE 56 Ca 0.42 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.70 3gxi s ILE 56 Cb -0.14 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 3gxi s ILE 56 CO 0.20 0.03 0.16 -1.10 0.00 0.00 0.00 174.94 174.22 3gxi s GLN 57 N 1.63 3.02 0.34 2.79 -0.21 0.23 -4.66 119.66 122.81 3gxi s GLN 57 Ca 0.05 -0.76 0.15 0.00 0.02 0.00 0.00 55.36 54.82 3gxi s GLN 57 Cb -0.17 -2.74 0.59 0.00 1.00 0.00 0.00 33.01 31.69 3gxi s GLN 57 CO 0.07 0.51 1.71 0.00 -2.12 0.00 0.00 175.29 175.47 3gxi h ALA 58 N 2.57 1.05 -3.18 6.09 0.00 -1.86 0.36 119.26 124.28 3gxi h ALA 58 Ca -0.47 -0.41 -0.64 0.00 0.00 0.00 0.00 54.91 53.39 3gxi h ALA 58 Cb 1.19 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 3gxi h ALA 58 CO 0.65 0.57 -0.61 -0.80 0.00 0.00 0.00 179.25 179.06 3gxi s ASN 59 N -6.64 5.42 -0.44 0.00 0.02 -1.26 -4.78 114.94 107.26 3gxi s ASN 59 Ca -0.01 -0.06 -0.13 0.00 -1.02 0.00 0.00 52.86 51.64 3gxi s ASN 59 Cb 0.12 -1.42 0.07 0.00 0.02 0.00 0.00 41.25 40.04 3gxi s ASN 59 CO 0.72 0.16 0.33 -2.28 0.02 0.00 0.00 177.10 176.05 3gxi s HIS 60 N -1.40 3.27 -0.38 2.20 2.46 -1.26 -4.76 115.29 115.42 3gxi s HIS 60 Ca 0.29 -1.08 0.22 0.00 0.47 0.00 0.00 55.06 54.96 3gxi s HIS 60 Cb -0.12 -2.98 -0.17 0.00 -0.13 0.00 0.00 32.58 29.18 3gxi s HIS 60 CO 0.21 -0.78 0.77 0.25 -2.47 0.00 0.00 174.74 172.73 3gxi n THR 61 N 5.09 0.12 -2.42 0.89 -2.24 -1.26 -4.96 114.28 109.51 3gxi n THR 61 Ca -0.12 -0.35 -0.34 0.00 -2.27 0.00 0.00 64.05 60.97 3gxi n THR 61 Cb 0.44 0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.83 3gxi n THR 61 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3gxi s GLY 62 N -4.00 2.51 0.00 3.38 0.00 -1.26 -4.97 107.32 102.97 3gxi s GLY 62 Ca -0.01 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.36 3gxi s GLY 62 CO 0.86 0.98 0.45 -1.30 0.00 0.00 0.00 173.10 174.09 3gxi n THR 63 N -1.15 0.12 -0.44 0.90 -2.24 -1.26 -5.05 114.28 105.15 3gxi n THR 63 Ca 0.10 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3gxi n THR 63 Cb 0.52 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 3gxi n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gxi n GLY 64 N -0.06 1.58 3.70 3.38 0.00 -1.26 -5.02 105.19 107.50 3gxi n GLY 64 Ca 0.00 -1.71 -0.44 0.00 0.00 0.00 0.00 46.02 43.87 3gxi n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gxi n LEU 65 N 0.00 3.61 -4.34 0.99 7.94 -1.25 -4.88 117.00 119.06 3gxi n LEU 65 Ca 0.00 1.11 -0.32 0.00 -1.11 0.00 0.00 56.01 55.69 3gxi n LEU 65 Cb 0.00 -1.50 -0.15 0.00 0.53 0.00 0.00 43.42 42.30 3gxi n LEU 65 CO 0.00 -0.12 -0.50 -0.22 -1.11 0.00 0.00 177.39 175.43 3gxi s LEU 66 N 0.44 2.41 -0.22 -1.96 2.96 -1.26 -1.25 118.68 119.80 3gxi s LEU 66 Ca 0.72 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 54.23 3gxi s LEU 66 Cb -0.59 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 44.63 3gxi s LEU 66 CO 0.42 0.23 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.82 3gxi s LEU 67 N -0.08 2.77 -0.22 -0.68 1.43 -0.29 -0.10 118.68 121.50 3gxi s LEU 67 Ca -0.04 -0.68 -0.06 0.00 -1.03 0.00 0.00 54.13 52.31 3gxi s LEU 67 Cb -0.14 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 3gxi s LEU 67 CO 0.04 -0.06 0.04 -0.89 0.23 0.00 0.00 176.35 175.71 3gxi s THR 68 N 1.35 4.25 0.29 5.49 2.01 0.41 -0.74 115.64 128.70 3gxi s THR 68 Ca 0.03 -0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.53 3gxi s THR 68 Cb -0.15 -2.95 -0.10 0.00 0.01 0.00 0.00 72.50 69.31 3gxi s THR 68 CO -0.07 0.39 1.35 -0.22 -0.69 0.00 0.00 174.62 175.38 3gxi s LEU 69 N 1.16 4.41 -0.53 4.42 2.96 0.67 -0.33 118.68 131.44 3gxi s LEU 69 Ca 0.04 2.65 0.04 0.00 -0.22 0.00 0.00 54.13 56.64 3gxi s LEU 69 Cb -0.14 -3.64 0.17 0.00 0.50 0.00 0.00 46.19 43.07 3gxi s LEU 69 CO 0.03 -0.58 0.39 -1.10 -1.32 0.00 0.00 176.35 173.76 3gxi s GLN 70 N -1.20 1.58 0.55 1.98 -1.52 -0.32 -4.50 119.66 116.23 3gxi s GLN 70 Ca 0.53 -2.59 0.28 0.00 -1.95 0.00 0.00 55.36 51.63 3gxi s GLN 70 Cb -0.40 -2.34 1.60 0.00 -0.22 0.00 0.00 33.01 31.65 3gxi s GLN 70 CO 0.49 -1.32 2.15 -1.00 -0.25 0.00 0.00 175.29 175.36 3gxi h PRO 71 N 5.69 0.00 0.00 2.91 0.13 -1.94 -1.87 132.00 136.92 3gxi h PRO 71 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3gxi h PRO 71 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3gxi h PRO 71 CO 0.52 0.07 0.00 0.93 -0.23 0.00 0.00 178.00 179.29 3gxi h GLU 72 N 0.00 0.00 -4.69 0.86 4.39 -1.95 -3.40 114.58 109.79 3gxi h GLU 72 Ca -0.00 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 59.00 3gxi h GLU 72 Cb 0.19 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 28.64 3gxi h GLU 72 CO 0.01 0.00 -0.35 -0.65 -1.16 0.00 0.00 179.01 176.86 3gxi s GLN 73 N -3.45 3.12 -0.08 2.33 -1.52 -0.76 -5.03 119.66 114.27 3gxi s GLN 73 Ca 0.04 -0.84 0.05 0.00 -1.95 0.00 0.00 55.36 52.65 3gxi s GLN 73 Cb 0.09 -3.94 -0.01 0.00 -0.22 0.00 0.00 33.01 28.93 3gxi s GLN 73 CO 0.51 -0.73 -0.23 0.15 -0.25 0.00 0.00 175.29 174.74 3gxi s LYS 74 N 1.87 2.77 0.00 2.91 1.02 -1.26 -0.88 119.74 126.17 3gxi s LYS 74 Ca 0.08 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.20 3gxi s LYS 74 Cb -0.18 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.88 3gxi s LYS 74 CO 0.11 0.32 0.00 1.19 -0.92 0.00 0.00 175.35 176.05 3gxi n PHE 75 N 3.14 0.00 -2.56 3.18 3.01 0.72 -5.00 117.46 119.95 3gxi n PHE 75 Ca -0.18 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.96 3gxi n PHE 75 Cb 0.52 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.95 3gxi n PHE 75 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3gxi s GLN 76 N 4.33 4.06 0.14 -1.08 0.00 -1.26 -4.66 119.66 121.19 3gxi s GLN 76 Ca 0.00 1.02 -0.15 0.00 -0.00 0.00 0.00 55.36 56.24 3gxi s GLN 76 Cb 0.00 -2.15 -0.07 0.00 0.00 0.00 0.00 33.01 30.79 3gxi s GLN 76 CO 0.00 -0.18 0.54 0.15 0.00 0.00 0.00 175.29 175.81 3gxi s LYS 77 N -3.72 3.99 -0.06 9.60 -0.14 -1.26 -1.27 119.74 126.88 3gxi s LYS 77 Ca 0.60 0.50 -0.20 0.00 -1.36 0.00 0.00 55.97 55.51 3gxi s LYS 77 Cb -0.10 -2.96 -0.05 0.00 -1.68 0.00 0.00 37.83 33.05 3gxi s LYS 77 CO 0.24 0.50 0.57 0.08 -0.76 0.00 0.00 175.35 175.97 3gxi s VAL 78 N -1.43 5.04 -0.13 3.17 1.01 0.38 -4.72 120.40 123.73 3gxi s VAL 78 Ca 0.37 1.16 -0.23 0.00 0.00 0.00 0.00 61.98 63.28 3gxi s VAL 78 Cb -0.15 -3.90 -0.26 0.00 0.00 0.00 0.00 36.38 32.07 3gxi s VAL 78 CO 0.19 0.36 0.62 0.50 0.00 0.00 0.00 175.10 176.77 3gxi h LYS 79 N 6.21 0.10 0.00 2.72 1.63 0.22 0.19 116.57 127.64 3gxi h LYS 79 Ca -0.43 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.20 3gxi h LYS 79 Cb 1.19 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 3gxi h LYS 79 CO 0.73 1.08 0.00 0.41 -3.45 0.00 0.00 179.45 178.22 3gxi n GLY 80 N 1.61 0.29 2.97 5.01 0.00 -1.17 -4.44 105.19 109.45 3gxi n GLY 80 Ca -0.19 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 3gxi n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxi s PHE 81 N -3.24 -0.04 0.00 1.61 0.40 -1.26 -0.96 117.98 114.49 3gxi s PHE 81 Ca 0.00 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.44 3gxi s PHE 81 Cb 0.00 0.00 0.00 0.00 0.51 0.00 0.00 43.02 43.53 3gxi s PHE 81 CO 0.00 -0.07 0.00 0.41 0.70 0.00 0.00 175.22 176.26 3gxi n GLY 82 N 2.78 2.36 3.82 4.36 0.00 0.54 -1.02 105.19 118.04 3gxi n GLY 82 Ca -0.14 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 3gxi n GLY 82 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gxi s GLY 83 N 0.00 0.30 -0.21 -0.02 0.00 -1.14 -0.02 107.32 106.23 3gxi s GLY 83 Ca 0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 44.72 43.96 3gxi s GLY 83 CO 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 173.10 173.18 3gxi s ALA 84 N -2.45 3.63 -1.33 3.20 0.00 0.28 -1.90 121.76 123.19 3gxi s ALA 84 Ca 0.16 -0.74 -0.13 0.00 0.00 0.00 0.00 51.96 51.24 3gxi s ALA 84 Cb -0.05 -2.17 0.11 0.00 0.00 0.00 0.00 23.12 21.01 3gxi s ALA 84 CO 0.10 0.08 1.89 -0.12 0.00 0.00 0.00 175.76 177.72 3gxi n MET 85 N 3.69 3.27 -1.45 0.00 1.56 -0.19 -1.63 117.12 122.37 3gxi n MET 85 Ca -0.16 -3.25 -0.29 0.00 -0.27 0.00 0.00 57.70 53.73 3gxi n MET 85 Cb 0.52 -3.15 0.13 0.00 2.15 0.00 0.00 33.22 32.87 3gxi n MET 85 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3gxi s THR 86 N 2.09 2.41 0.25 1.12 -4.23 -1.26 -4.42 115.64 111.60 3gxi s THR 86 Ca 0.45 0.13 -0.05 0.00 -1.18 0.00 0.00 61.69 61.04 3gxi s THR 86 Cb 0.08 -2.82 0.22 0.00 1.34 0.00 0.00 72.50 71.33 3gxi s THR 86 CO -0.01 -0.17 1.89 0.44 -0.54 0.00 0.00 174.62 176.22 3gxi h ASP 87 N -1.44 1.06 -0.54 3.99 3.32 -1.93 -1.58 116.42 119.30 3gxi h ASP 87 Ca -0.50 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 56.48 3gxi h ASP 87 Cb 1.31 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 3gxi h ASP 87 CO 0.60 0.84 0.35 0.00 -1.72 0.00 0.00 179.24 179.30 3gxi h ALA 88 N 1.34 0.69 -0.31 3.45 0.00 -1.68 0.12 119.26 122.88 3gxi h ALA 88 Ca 0.31 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3gxi h ALA 88 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3gxi h ALA 88 CO -0.05 0.10 0.03 0.00 0.00 0.00 0.00 179.25 179.33 3gxi h ALA 89 N 1.21 0.41 -0.32 0.00 0.00 -1.53 -0.64 119.26 118.39 3gxi h ALA 89 Ca 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gxi h ALA 89 Cb -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3gxi h ALA 89 CO -0.06 0.12 0.16 0.00 0.00 0.00 0.00 179.25 179.47 3gxi h ALA 90 N 0.87 0.42 -0.95 0.00 0.00 -1.08 -0.67 119.26 117.84 3gxi h ALA 90 Ca 0.09 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3gxi h ALA 90 Cb 0.38 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 3gxi h ALA 90 CO 0.01 -0.03 0.61 -0.07 0.00 0.00 0.00 179.25 179.77 3gxi h LEU 91 N 0.39 0.98 -0.23 0.00 3.38 -0.61 0.33 115.31 119.54 3gxi h LEU 91 Ca 0.11 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3gxi h LEU 91 Cb 0.11 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3gxi h LEU 91 CO -0.01 0.64 -0.18 0.78 0.09 0.00 0.00 178.44 179.75 3gxi h ASN 92 N 1.12 0.56 -0.19 -0.43 2.35 -0.67 -2.75 115.58 115.58 3gxi h ASN 92 Ca 0.40 -0.45 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3gxi h ASN 92 Cb 0.12 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3gxi h ASN 92 CO -0.16 0.89 0.10 0.40 -1.65 0.00 0.00 177.43 177.02 3gxi h ILE 93 N 0.23 1.11 0.00 2.81 2.04 -0.86 -2.75 117.51 120.09 3gxi h ILE 93 Ca 0.04 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3gxi h ILE 93 Cb 0.71 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3gxi h ILE 93 CO 0.05 0.10 0.00 0.18 0.00 0.00 0.00 178.15 178.48 3gxi n LEU 94 N -4.90 0.00 -0.02 1.44 4.77 0.08 -1.91 117.00 116.46 3gxi n LEU 94 Ca -0.04 0.45 0.14 0.00 -0.03 0.00 0.00 56.01 56.53 3gxi n LEU 94 Cb 0.07 -0.45 0.62 0.00 -2.33 0.00 0.00 43.42 41.33 3gxi n LEU 94 CO 0.34 -0.23 0.91 0.00 -1.33 0.00 0.00 177.39 177.08 3gxi n ALA 95 N -1.45 2.58 -2.28 -1.18 0.00 -1.04 -4.82 120.51 112.33 3gxi n ALA 95 Ca 0.04 -0.17 -0.28 0.00 0.00 0.00 0.00 53.44 53.03 3gxi n ALA 95 Cb 0.15 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.18 3gxi n ALA 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gxi s LEU 96 N -2.78 3.71 0.58 0.00 1.43 -0.80 -4.88 118.68 115.94 3gxi s LEU 96 Ca 0.21 0.95 -0.18 0.00 -1.03 0.00 0.00 54.13 54.08 3gxi s LEU 96 Cb 0.19 -3.88 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 3gxi s LEU 96 CO 0.52 -0.51 1.12 -0.94 0.23 0.00 0.00 176.35 176.77 3gxi s SER 97 N -3.83 5.51 0.30 2.29 1.04 -1.26 -4.68 113.70 113.08 3gxi s SER 97 Ca 0.48 2.10 0.06 0.00 0.48 0.00 0.00 55.95 59.07 3gxi s SER 97 Cb -0.10 -2.57 0.81 0.00 0.10 0.00 0.00 66.02 64.26 3gxi s SER 97 CO 0.41 -1.36 1.70 -0.65 0.98 0.00 0.00 173.24 174.32 3gxi h PRO 98 N 0.77 0.42 -0.57 4.02 0.11 -1.95 0.13 132.00 134.93 3gxi h PRO 98 Ca -0.49 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3gxi h PRO 98 Cb 1.25 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3gxi h PRO 98 CO 0.56 0.28 0.15 -1.35 -0.21 0.00 0.00 178.00 177.43 3gxi h PRO 99 N 0.44 0.87 -0.29 1.05 0.11 -1.92 -2.04 132.00 130.22 3gxi h PRO 99 Ca 0.60 -0.17 -0.16 0.00 0.11 0.00 0.00 66.00 66.37 3gxi h PRO 99 Cb 1.17 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3gxi h PRO 99 CO -0.53 0.77 -0.47 0.00 -0.21 0.00 0.00 178.00 177.56 3gxi h ALA 100 N 1.33 0.62 -0.88 -0.75 0.00 -0.97 -2.52 119.26 116.09 3gxi h ALA 100 Ca 0.19 -0.48 0.13 0.00 0.00 0.00 0.00 54.91 54.74 3gxi h ALA 100 Cb 0.28 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 3gxi h ALA 100 CO -0.00 0.68 0.49 1.96 0.00 0.00 0.00 179.25 182.38 3gxi h GLN 101 N 0.61 0.74 -0.35 0.00 4.20 -0.78 -1.77 115.11 117.76 3gxi h GLN 101 Ca 0.03 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.53 3gxi h GLN 101 Cb 1.05 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.66 3gxi h GLN 101 CO 0.10 0.49 -0.45 -0.91 -0.67 0.00 0.00 178.83 177.39 3gxi h ASN 102 N 0.76 0.98 -0.14 1.46 2.35 -1.07 -1.16 115.58 118.77 3gxi h ASN 102 Ca 0.45 -0.48 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 3gxi h ASN 102 Cb 0.53 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3gxi h ASN 102 CO -0.30 1.28 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.66 3gxi h LEU 103 N 0.73 0.37 0.01 1.61 3.38 -1.12 -0.55 115.31 119.74 3gxi h LEU 103 Ca 0.04 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3gxi h LEU 103 Cb 1.04 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3gxi h LEU 103 CO 0.10 0.45 -0.01 0.25 0.09 0.00 0.00 178.44 179.33 3gxi h LEU 104 N 0.38 -0.01 -0.96 1.67 6.46 -1.03 -1.00 115.31 120.82 3gxi h LEU 104 Ca 0.08 -0.42 -0.06 0.00 -0.12 0.00 0.00 57.88 57.36 3gxi h LEU 104 Cb 0.30 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 3gxi h LEU 104 CO 0.01 0.42 0.08 -0.07 -0.62 0.00 0.00 178.44 178.26 3gxi h LEU 105 N -0.45 0.79 -0.95 2.25 3.38 -1.14 -2.42 115.31 116.78 3gxi h LEU 105 Ca -0.00 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3gxi h LEU 105 Cb 0.43 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3gxi h LEU 105 CO 0.00 0.81 0.13 0.11 0.09 0.00 0.00 178.44 179.57 3gxi h LYS 106 N 0.80 0.89 -0.77 1.13 1.57 -1.06 -0.46 116.57 118.67 3gxi h LYS 106 Ca 0.17 -0.20 0.14 0.00 -1.87 0.00 0.00 60.65 58.89 3gxi h LYS 106 Cb 0.36 -0.13 -0.09 0.00 0.08 0.00 0.00 32.23 32.45 3gxi h LYS 106 CO 0.01 0.81 0.32 0.77 -0.57 0.00 0.00 179.45 180.79 3gxi h SER 107 N 0.86 0.32 0.12 0.86 0.02 -0.67 -2.46 113.55 112.59 3gxi h SER 107 Ca 0.18 0.11 -0.24 0.00 -0.84 0.00 0.00 61.79 61.00 3gxi h SER 107 Cb 0.33 0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3gxi h SER 107 CO 0.00 0.12 -1.21 1.88 -1.14 0.00 0.00 176.83 176.48 3gxi h TYR 108 N 0.47 0.45 0.00 3.45 0.99 -1.34 -0.45 116.97 120.55 3gxi h TYR 108 Ca 0.42 -0.33 -0.10 0.00 2.00 0.00 0.00 58.73 60.73 3gxi h TYR 108 Cb 0.63 -0.02 -0.02 0.00 1.00 0.00 0.00 36.73 38.33 3gxi h TYR 108 CO -0.15 1.47 -1.70 1.19 -0.00 0.00 0.00 178.16 178.96 3gxi n PHE 109 N -4.01 0.00 -1.71 4.88 3.01 -0.21 -0.62 117.46 118.80 3gxi n PHE 109 Ca -0.22 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 57.94 3gxi n PHE 109 Cb 0.86 -0.43 0.06 0.00 -0.01 0.00 0.00 39.48 39.96 3gxi n PHE 109 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3gxi s SER 110 N -3.94 5.10 0.50 4.37 0.15 -0.93 -3.72 113.70 115.22 3gxi s SER 110 Ca -0.05 1.27 0.29 0.00 0.70 0.00 0.00 55.95 58.16 3gxi s SER 110 Cb 0.06 -2.07 0.96 0.00 -1.71 0.00 0.00 66.02 63.26 3gxi s SER 110 CO 0.53 -1.58 1.84 -0.08 1.20 0.00 0.00 173.24 175.15 3gxi h GLU 111 N -0.82 0.00 -0.01 5.44 4.57 -1.85 -0.32 114.58 121.60 3gxi h GLU 111 Ca -0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 3gxi h GLU 111 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 3gxi h GLU 111 CO 0.61 0.04 0.00 0.39 -1.18 0.00 0.00 179.01 178.87 3gxi n GLU 112 N -3.13 1.13 0.00 1.92 -0.58 -1.26 -4.69 120.64 114.03 3gxi n GLU 112 Ca 0.02 -0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 3gxi n GLU 112 Cb 0.40 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 3gxi n GLU 112 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gxi n GLY 113 N 1.00 4.11 0.47 0.62 0.00 -0.14 -1.09 105.19 110.16 3gxi n GLY 113 Ca 0.21 -1.01 0.04 0.00 0.00 0.00 0.00 46.02 45.27 3gxi n GLY 113 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3gxi n ILE 114 N 0.00 1.13 -3.26 -0.61 -5.35 -0.18 -4.85 119.36 106.24 3gxi n ILE 114 Ca 0.00 -1.11 -0.21 0.00 -0.27 0.00 0.00 62.75 61.16 3gxi n ILE 114 Cb 0.00 0.42 0.06 0.00 -1.74 0.00 0.00 39.64 38.37 3gxi n ILE 114 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gxi n GLY 115 N 0.10 -0.39 3.62 3.28 0.00 -0.85 -1.99 105.19 108.97 3gxi n GLY 115 Ca 0.09 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3gxi n GLY 115 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxi n TYR 116 N -4.60 1.39 -1.48 1.61 0.53 0.21 -4.77 117.16 110.05 3gxi n TYR 116 Ca -0.04 0.59 0.04 0.00 -1.02 0.00 0.00 57.90 57.47 3gxi n TYR 116 Cb 0.58 -2.27 0.05 0.00 -1.03 0.00 0.00 39.34 36.67 3gxi n TYR 116 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11 3gxi n ASN 117 N 0.73 0.96 -3.78 7.72 6.94 -0.19 -4.76 115.26 122.88 3gxi n ASN 117 Ca 0.09 -2.32 -0.13 0.00 -0.02 0.00 0.00 54.58 52.20 3gxi n ASN 117 Cb 0.37 -0.26 -0.13 0.00 -2.36 0.00 0.00 39.78 37.40 3gxi n ASN 117 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3gxi s ILE 118 N -1.09 -0.02 -0.08 1.53 1.01 -1.13 0.12 121.20 121.53 3gxi s ILE 118 Ca 0.12 0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.85 3gxi s ILE 118 Cb 0.10 -0.27 0.02 0.00 0.01 0.00 0.00 42.46 42.32 3gxi s ILE 118 CO 0.01 0.03 -0.08 -0.63 0.00 0.00 0.00 174.94 174.27 3gxi s ILE 119 N 0.61 0.92 -0.09 2.92 1.01 -0.39 -2.88 121.20 123.31 3gxi s ILE 119 Ca -0.04 -0.30 -0.18 0.00 0.00 0.00 0.00 60.65 60.13 3gxi s ILE 119 Cb -0.06 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.46 3gxi s ILE 119 CO -0.03 0.33 0.48 -0.60 0.00 0.00 0.00 174.94 175.11 3gxi s ARG 120 N 1.15 4.28 -0.22 2.79 3.52 -0.80 -0.81 118.95 128.86 3gxi s ARG 120 Ca -0.06 0.47 0.02 0.00 -0.13 0.00 0.00 55.73 56.03 3gxi s ARG 120 Cb -0.14 -3.39 0.04 0.00 -1.56 0.00 0.00 34.95 29.90 3gxi s ARG 120 CO -0.02 0.26 -0.14 0.08 -0.81 0.00 0.00 175.30 174.67 3gxi s VAL 121 N 0.28 2.04 0.39 7.11 1.01 0.96 -1.03 120.40 131.17 3gxi s VAL 121 Ca 0.26 -1.28 -0.27 0.00 0.00 0.00 0.00 61.98 60.69 3gxi s VAL 121 Cb -0.16 -2.03 -0.10 0.00 0.00 0.00 0.00 36.38 34.09 3gxi s VAL 121 CO 0.11 0.21 1.43 -2.65 0.00 0.00 0.00 175.10 174.21 3gxi n PRO 122 N 4.54 2.45 -2.88 2.72 -0.02 -1.26 -2.22 135.00 138.33 3gxi n PRO 122 Ca -0.17 0.86 -0.43 0.00 -2.02 0.00 0.00 63.50 61.74 3gxi n PRO 122 Cb 0.46 -2.59 -0.04 0.00 -0.02 0.00 0.00 33.50 31.30 3gxi n PRO 122 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3gxi s MET 123 N -2.17 3.12 2.69 -0.52 -1.94 -0.65 -4.85 119.30 114.98 3gxi s MET 123 Ca 0.56 -0.82 0.00 0.00 -1.71 0.00 0.00 55.69 53.72 3gxi s MET 123 Cb -0.48 -4.21 0.00 0.00 2.01 0.00 0.00 34.83 32.14 3gxi s MET 123 CO 0.62 -1.76 0.00 0.00 -0.01 0.00 0.00 175.02 173.87 3gxi n ALA 124 N 7.57 0.00 -1.77 3.03 0.00 -1.26 -4.08 120.51 124.00 3gxi n ALA 124 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.04 3gxi n ALA 124 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.90 3gxi n ALA 124 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gxi s SER 125 N -4.00 6.00 0.00 0.00 1.04 -1.17 -4.90 113.70 110.67 3gxi s SER 125 Ca 0.00 2.30 0.00 0.00 0.48 0.00 0.00 55.95 58.73 3gxi s SER 125 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 3gxi s SER 125 CO 0.00 -1.03 0.00 0.00 0.98 0.00 0.00 173.24 173.19 3gxi h ASP 127 N 0.00 0.06 -0.85 0.00 2.03 -1.96 -3.08 116.42 112.62 3gxi h ASP 127 Ca 0.00 -0.02 -0.67 0.00 -0.73 0.00 0.00 57.03 55.61 3gxi h ASP 127 Cb 0.00 -0.02 -0.10 0.00 -0.83 0.00 0.00 39.33 38.39 3gxi h ASP 127 CO 0.00 0.44 2.30 0.49 -1.03 0.00 0.00 179.24 181.44 3gxi n PHE 128 N -4.08 2.30 -4.07 4.15 3.01 -1.26 -1.63 117.46 115.88 3gxi n PHE 128 Ca -0.02 -2.69 -0.07 0.00 1.01 0.00 0.00 57.45 55.68 3gxi n PHE 128 Cb 0.42 -1.90 -0.10 0.00 -0.01 0.00 0.00 39.48 37.90 3gxi n PHE 128 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3gxi s SER 129 N 0.81 0.46 0.00 4.37 0.01 -1.16 -1.97 113.70 116.22 3gxi s SER 129 Ca 0.59 -0.97 0.24 0.00 1.31 0.00 0.00 55.95 57.12 3gxi s SER 129 Cb 0.22 0.21 0.57 0.00 0.21 0.00 0.00 66.02 67.23 3gxi s SER 129 CO -0.10 -0.61 1.47 2.30 0.41 0.00 0.00 173.24 176.71 3gxi n ILE 130 N 0.11 0.14 -3.82 1.44 -6.64 -1.26 -2.63 119.36 106.70 3gxi n ILE 130 Ca -0.14 -0.45 -0.06 0.00 -1.77 0.00 0.00 62.75 60.32 3gxi n ILE 130 Cb 0.61 0.92 0.00 0.00 -1.44 0.00 0.00 39.64 39.73 3gxi n ILE 130 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3gxi s ARG 131 N -1.86 1.69 -0.12 6.28 1.70 -1.26 -4.92 118.95 120.46 3gxi s ARG 131 Ca 0.34 -1.02 -0.05 0.00 -0.47 0.00 0.00 55.73 54.53 3gxi s ARG 131 Cb 0.20 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 35.07 3gxi s ARG 131 CO 0.31 -0.78 0.07 0.95 -1.08 0.00 0.00 175.30 174.77 3gxi s THR 132 N -2.99 4.93 0.02 4.99 -4.23 -1.26 -4.78 115.64 112.32 3gxi s THR 132 Ca 0.14 -0.01 -0.28 0.00 -1.18 0.00 0.00 61.69 60.37 3gxi s THR 132 Cb -0.04 -3.14 0.10 0.00 1.34 0.00 0.00 72.50 70.76 3gxi s THR 132 CO 0.07 0.59 0.83 -0.72 -0.54 0.00 0.00 174.62 174.85 3gxi s TYR 133 N -0.74 -0.40 0.34 3.99 -0.85 -1.26 -5.05 117.35 113.39 3gxi s TYR 133 Ca 0.12 0.30 0.04 0.00 -0.52 0.00 0.00 57.07 57.01 3gxi s TYR 133 Cb -0.12 0.53 -0.01 0.00 0.38 0.00 0.00 41.96 42.74 3gxi s TYR 133 CO 0.03 -0.59 0.14 0.25 -1.52 0.00 0.00 175.55 173.85 3gxi n THR 134 N -0.16 0.00 0.71 -3.49 -2.24 -1.26 -3.07 114.28 104.77 3gxi n THR 134 Ca -0.11 -2.05 0.13 0.00 -2.27 0.00 0.00 64.05 59.75 3gxi n THR 134 Cb 0.62 0.76 0.39 0.00 -2.10 0.00 0.00 70.33 70.00 3gxi n THR 134 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3gxi n TYR 135 N -0.77 0.63 -3.19 4.78 0.53 -1.26 -4.26 117.16 113.62 3gxi n TYR 135 Ca -0.04 0.18 -0.22 0.00 -1.02 0.00 0.00 57.90 56.80 3gxi n TYR 135 Cb 0.53 -0.76 -0.06 0.00 -1.03 0.00 0.00 39.34 38.02 3gxi n TYR 135 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3gxi n ALA 136 N -1.72 2.32 0.54 -0.72 0.00 -1.26 -1.04 120.51 118.62 3gxi n ALA 136 Ca 0.05 -3.43 0.13 0.00 0.00 0.00 0.00 53.44 50.19 3gxi n ALA 136 Cb 0.41 -0.85 0.31 0.00 0.00 0.00 0.00 19.45 19.32 3gxi n ALA 136 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3gxi h ASP 137 N 3.66 0.00 -2.49 0.00 3.32 -1.88 -3.44 116.42 115.59 3gxi h ASP 137 Ca 0.08 -0.04 -0.56 0.00 0.02 0.00 0.00 57.03 56.53 3gxi h ASP 137 Cb 0.90 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 3gxi h ASP 137 CO 0.48 0.02 1.24 -0.89 -1.72 0.00 0.00 179.24 178.37 3gxi s THR 138 N -3.14 3.38 0.95 0.35 2.01 -1.26 -4.96 115.64 112.96 3gxi s THR 138 Ca 0.09 0.42 -0.11 0.00 0.31 0.00 0.00 61.69 62.40 3gxi s THR 138 Cb 0.11 -3.38 0.16 0.00 0.01 0.00 0.00 72.50 69.41 3gxi s THR 138 CO 0.64 -0.15 1.10 -2.84 -0.69 0.00 0.00 174.62 172.68 3gxi s PRO 139 N 5.00 0.80 -2.13 4.92 0.02 -1.26 -3.85 135.00 138.50 3gxi s PRO 139 Ca 0.82 1.21 0.00 0.00 0.02 0.00 0.00 61.00 63.05 3gxi s PRO 139 Cb -0.31 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.48 3gxi s PRO 139 CO 0.33 -2.67 0.00 -3.47 -0.33 0.00 0.00 177.00 170.86 3gxi n ASP 140 N -4.23 -5.54 -3.77 2.53 -0.08 -1.26 -4.89 116.55 99.31 3gxi n ASP 140 Ca 0.09 0.42 -0.41 0.00 -1.51 0.00 0.00 54.79 53.37 3gxi n ASP 140 Cb 0.53 -4.84 0.01 0.00 2.34 0.00 0.00 41.12 39.16 3gxi n ASP 140 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3gxi n ASP 141 N -1.48 6.93 0.27 1.67 2.03 -1.25 -4.85 116.55 119.88 3gxi n ASP 141 Ca -0.21 -3.58 0.18 0.00 0.52 0.00 0.00 54.79 51.69 3gxi n ASP 141 Cb 0.68 -1.20 0.80 0.00 -0.72 0.00 0.00 41.12 40.69 3gxi n ASP 141 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 3gxi h PHE 142 N 4.67 0.00 -0.11 -0.67 -1.00 -1.93 0.33 116.94 118.24 3gxi h PHE 142 Ca 0.40 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.18 3gxi h PHE 142 Cb 0.44 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.00 3gxi h PHE 142 CO 1.20 0.00 0.00 1.04 -1.61 0.00 0.00 178.31 178.94 3gxi n GLN 143 N -2.96 2.03 -3.75 1.51 1.13 -1.26 -4.72 117.38 109.36 3gxi n GLN 143 Ca -0.00 -1.52 -0.25 0.00 -1.94 0.00 0.00 57.00 53.28 3gxi n GLN 143 Cb 0.23 -1.46 0.05 0.00 0.11 0.00 0.00 30.24 29.16 3gxi n GLN 143 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3gxi n LEU 144 N 0.80 -3.02 0.21 1.08 4.77 0.12 -4.86 117.00 116.09 3gxi n LEU 144 Ca 0.17 -0.72 0.05 0.00 -0.03 0.00 0.00 56.01 55.48 3gxi n LEU 144 Cb 0.47 -2.75 0.47 0.00 -2.33 0.00 0.00 43.42 39.28 3gxi n LEU 144 CO 0.15 0.49 0.85 0.45 -1.33 0.00 0.00 177.39 178.00 3gxi h HIS 145 N -2.17 0.00 -0.45 -1.77 3.86 -1.94 -2.97 115.15 109.71 3gxi h HIS 145 Ca -0.59 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.62 3gxi h HIS 145 Cb 1.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.84 3gxi h HIS 145 CO 0.52 0.24 0.00 0.09 0.86 0.00 0.00 177.93 179.64 3gxi n ASN 146 N -4.19 3.04 -4.70 2.45 4.13 -1.26 -4.94 115.26 109.79 3gxi n ASN 146 Ca -0.02 -2.18 -0.42 0.00 1.68 0.00 0.00 54.58 53.64 3gxi n ASN 146 Cb 0.30 -0.41 -0.03 0.00 -1.54 0.00 0.00 39.78 38.10 3gxi n ASN 146 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3gxi s PHE 147 N -1.59 2.82 0.05 3.10 5.36 -1.12 -4.67 117.98 121.93 3gxi s PHE 147 Ca 0.33 0.58 -0.18 0.00 -0.96 0.00 0.00 56.93 56.70 3gxi s PHE 147 Cb 0.20 -3.87 0.04 0.00 -0.34 0.00 0.00 43.02 39.04 3gxi s PHE 147 CO 0.19 -3.33 0.41 -1.54 -1.46 0.00 0.00 175.22 169.49 3gxi s SER 148 N 1.70 -0.28 -0.04 6.13 1.04 -0.21 -5.02 113.70 117.02 3gxi s SER 148 Ca 0.70 -0.02 -0.25 0.00 0.48 0.00 0.00 55.95 56.86 3gxi s SER 148 Cb -0.40 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 3gxi s SER 148 CO 0.31 -0.67 0.78 -0.76 0.98 0.00 0.00 173.24 173.88 3gxi s LEU 149 N -2.04 4.33 0.00 2.42 1.43 -1.26 -4.56 118.68 118.99 3gxi s LEU 149 Ca -0.05 1.33 -0.09 0.00 -1.03 0.00 0.00 54.13 54.30 3gxi s LEU 149 Cb -0.01 -3.23 0.12 0.00 0.03 0.00 0.00 46.19 43.10 3gxi s LEU 149 CO -0.03 -0.16 0.62 -0.81 0.23 0.00 0.00 176.35 176.21 3gxi n PRO 150 N 3.80 -0.94 0.13 1.29 -0.04 -1.26 -4.77 135.00 133.21 3gxi n PRO 150 Ca 0.01 -0.97 0.05 0.00 -0.04 0.00 0.00 63.50 62.55 3gxi n PRO 150 Cb 0.51 -0.70 0.49 0.00 -0.04 0.00 0.00 33.50 33.77 3gxi n PRO 150 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3gxi h GLU 151 N 0.00 0.26 -0.82 0.54 5.08 -1.98 -1.41 114.58 116.26 3gxi h GLU 151 Ca -0.21 -0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.26 3gxi h GLU 151 Cb 0.58 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.69 3gxi h GLU 151 CO 0.14 0.23 0.42 0.93 -1.00 0.00 0.00 179.01 179.73 3gxi h GLU 152 N 0.27 0.60 0.00 2.33 3.07 -1.96 0.28 114.58 119.17 3gxi h GLU 152 Ca 0.07 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3gxi h GLU 152 Cb 0.07 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 27.85 3gxi h GLU 152 CO -0.01 0.40 -0.00 -0.44 -1.40 0.00 0.00 179.01 177.56 3gxi h ASP 153 N 0.62 0.00 0.69 1.42 3.32 -1.80 0.14 116.42 120.81 3gxi h ASP 153 Ca 0.44 -0.41 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 3gxi h ASP 153 Cb 0.59 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 3gxi h ASP 153 CO -0.34 0.71 -0.53 0.71 -1.72 0.00 0.00 179.24 178.07 3gxi h THR 154 N -1.00 1.25 0.00 0.35 1.35 -1.14 0.63 112.91 114.34 3gxi h THR 154 Ca -0.00 -1.89 -0.37 0.00 -0.55 0.00 0.00 66.41 63.60 3gxi h THR 154 Cb 0.41 2.06 -0.07 0.00 -1.73 0.00 0.00 68.15 68.82 3gxi h THR 154 CO -0.00 0.52 -2.39 1.17 -0.25 0.00 0.00 175.52 174.56 3gxi n LYS 155 N -3.72 0.71 0.00 4.72 4.81 0.93 -4.51 118.16 121.10 3gxi n LYS 155 Ca -0.01 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 3gxi n LYS 155 Cb 0.57 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 34.12 3gxi n LYS 155 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3gxi n LEU 156 N -2.97 0.00 0.27 3.14 4.77 -0.91 -4.64 117.00 116.66 3gxi n LEU 156 Ca -0.38 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.44 3gxi n LEU 156 Cb 1.07 -0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 41.73 3gxi n LEU 156 CO 0.34 -0.42 0.65 0.11 -1.33 0.00 0.00 177.39 176.75 3gxi h LYS 157 N 0.00 -0.62 -0.04 3.23 1.57 -0.68 -3.12 116.57 116.91 3gxi h LYS 157 Ca 0.00 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3gxi h LYS 157 Cb 0.00 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3gxi h LYS 157 CO 0.00 -0.37 -0.09 0.82 -0.57 0.00 0.00 179.45 179.24 3gxi h ILE 158 N -0.73 0.76 -0.97 1.86 2.04 -1.11 -0.84 117.51 118.52 3gxi h ILE 158 Ca -0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.82 3gxi h ILE 158 Cb 0.54 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 3gxi h ILE 158 CO 0.11 0.00 0.64 -0.65 0.00 0.00 0.00 178.15 178.25 3gxi h PRO 159 N -0.14 1.22 -0.50 2.37 0.11 -1.78 -0.07 132.00 133.22 3gxi h PRO 159 Ca 0.05 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.02 3gxi h PRO 159 Cb 0.20 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 3gxi h PRO 159 CO -0.12 0.81 0.05 -0.07 -0.21 0.00 0.00 178.00 178.46 3gxi h LEU 160 N 1.26 0.82 -0.52 2.35 3.38 -1.43 -0.51 115.31 120.65 3gxi h LEU 160 Ca 0.38 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 58.12 3gxi h LEU 160 Cb -0.06 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 3gxi h LEU 160 CO -0.11 0.89 0.26 0.40 0.09 0.00 0.00 178.44 179.97 3gxi h ILE 161 N 0.71 0.94 -0.65 1.22 2.04 -0.73 0.21 117.51 121.26 3gxi h ILE 161 Ca 0.15 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.89 3gxi h ILE 161 Cb 0.44 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 3gxi h ILE 161 CO 0.02 0.09 0.36 0.45 0.00 0.00 0.00 178.15 179.07 3gxi h HIS 162 N 0.50 0.67 -0.34 1.37 3.86 -0.73 -1.35 115.15 119.13 3gxi h HIS 162 Ca 0.23 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.34 3gxi h HIS 162 Cb 0.15 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 3gxi h HIS 162 CO -0.11 0.33 -0.31 0.00 0.86 0.00 0.00 177.93 178.70 3gxi h ARG 163 N 0.68 0.74 -0.43 2.45 3.08 -0.67 -2.30 114.38 117.93 3gxi h ARG 163 Ca 0.29 -0.34 0.06 0.00 0.07 0.00 0.00 59.98 60.06 3gxi h ARG 163 Cb 0.16 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 3gxi h ARG 163 CO -0.17 0.95 0.11 0.00 -1.07 0.00 0.00 179.97 179.80 3gxi h ALA 164 N 1.02 0.49 -0.19 0.04 0.00 0.19 -2.29 119.26 118.51 3gxi h ALA 164 Ca 0.07 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3gxi h ALA 164 Cb 0.84 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3gxi h ALA 164 CO 0.07 -0.29 -0.42 -0.07 0.00 0.00 0.00 179.25 178.54 3gxi h LEU 165 N 0.26 0.48 -0.92 0.00 3.38 -1.13 -1.32 115.31 116.06 3gxi h LEU 165 Ca 0.21 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3gxi h LEU 165 Cb 0.23 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3gxi h LEU 165 CO -0.25 0.85 0.31 -0.61 0.09 0.00 0.00 178.44 178.82 3gxi h GLN 166 N 0.37 1.09 0.00 1.13 -0.00 -1.22 -3.00 115.11 113.48 3gxi h GLN 166 Ca 0.03 -0.18 -0.17 0.00 -0.00 0.00 0.00 58.65 58.33 3gxi h GLN 166 Cb 0.90 -0.18 -0.02 0.00 0.00 0.00 0.00 27.48 28.17 3gxi h GLN 166 CO 0.08 0.88 -0.79 -0.07 0.00 0.00 0.00 178.83 178.92 3gxi h LEU 167 N 1.07 0.00 -9.54 -2.39 3.38 -0.92 -3.45 115.31 103.45 3gxi h LEU 167 Ca 0.25 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.69 3gxi h LEU 167 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3gxi h LEU 167 CO -0.02 0.79 0.52 0.00 0.09 0.00 0.00 178.44 179.82 3gxi s ALA 168 N -3.15 3.37 -0.05 1.53 0.00 -0.54 -4.21 121.76 118.71 3gxi s ALA 168 Ca 0.00 0.82 -0.23 0.00 0.00 0.00 0.00 51.96 52.55 3gxi s ALA 168 Cb 0.11 -3.41 -0.25 0.00 0.00 0.00 0.00 23.12 19.57 3gxi s ALA 168 CO 0.79 -0.35 0.99 0.37 0.00 0.00 0.00 175.76 177.56 3gxi h GLN 169 N 6.18 0.24 -6.99 0.00 4.15 -1.86 -3.46 115.11 113.37 3gxi h GLN 169 Ca -0.43 -0.29 -0.52 0.00 0.77 0.00 0.00 58.65 58.18 3gxi h GLN 169 Cb 1.21 0.09 0.08 0.00 0.21 0.00 0.00 27.48 29.07 3gxi h GLN 169 CO 0.77 1.04 0.53 1.03 -1.93 0.00 0.00 178.83 180.28 3gxi s ARG 170 N -2.89 3.75 0.32 1.69 0.52 -1.26 -5.00 118.95 116.08 3gxi s ARG 170 Ca -0.15 1.92 -0.29 0.00 -0.52 0.00 0.00 55.73 56.69 3gxi s ARG 170 Cb 0.01 -2.49 -0.10 0.00 0.52 0.00 0.00 34.95 32.89 3gxi s ARG 170 CO 0.77 -0.60 1.29 -2.14 0.02 0.00 0.00 175.30 174.64 3gxi s PRO 171 N -2.59 4.39 -0.16 3.54 0.02 -1.26 -4.98 135.00 133.95 3gxi s PRO 171 Ca 0.63 2.17 -0.08 0.00 0.02 0.00 0.00 61.00 63.74 3gxi s PRO 171 Cb -0.32 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.07 3gxi s PRO 171 CO 0.40 -0.15 0.11 0.08 -0.33 0.00 0.00 177.00 177.11 3gxi s VAL 172 N -1.12 5.28 -0.15 3.83 1.01 -1.26 -4.82 120.40 123.17 3gxi s VAL 172 Ca 0.49 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 62.47 3gxi s VAL 172 Cb -0.39 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 3gxi s VAL 172 CO 0.51 0.52 0.26 -0.44 0.00 0.00 0.00 175.10 175.95 3gxi s SER 173 N -0.21 6.42 -0.15 3.32 0.01 0.31 -4.93 113.70 118.47 3gxi s SER 173 Ca 0.10 0.49 -0.08 0.00 1.31 0.00 0.00 55.95 57.77 3gxi s SER 173 Cb -0.12 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 3gxi s SER 173 CO 0.01 0.16 0.13 -0.76 0.41 0.00 0.00 173.24 173.19 3gxi s LEU 174 N 0.21 4.30 -0.09 2.44 1.43 -1.26 -1.26 118.68 124.44 3gxi s LEU 174 Ca 0.15 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 3gxi s LEU 174 Cb -0.13 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.04 3gxi s LEU 174 CO 0.03 0.32 -0.11 -0.22 0.23 0.00 0.00 176.35 176.60 3gxi s LEU 175 N -0.46 1.51 0.16 1.79 2.96 0.01 -0.40 118.68 124.24 3gxi s LEU 175 Ca 0.12 -0.32 0.07 0.00 -0.22 0.00 0.00 54.13 53.78 3gxi s LEU 175 Cb -0.12 -0.87 -0.04 0.00 0.50 0.00 0.00 46.19 45.66 3gxi s LEU 175 CO 0.02 -0.02 -0.01 0.00 -1.32 0.00 0.00 176.35 175.02 3gxi s ALA 176 N 1.07 3.19 -0.18 5.97 0.00 -0.55 -0.03 121.76 131.23 3gxi s ALA 176 Ca -0.07 -1.32 -0.09 0.00 0.00 0.00 0.00 51.96 50.48 3gxi s ALA 176 Cb -0.15 -1.01 0.07 0.00 0.00 0.00 0.00 23.12 22.03 3gxi s ALA 176 CO -0.01 0.52 0.43 -1.12 0.00 0.00 0.00 175.76 175.58 3gxi s SER 177 N -2.80 -0.49 0.25 0.00 0.01 -0.94 -0.67 113.70 109.07 3gxi s SER 177 Ca 0.27 0.96 -0.09 0.00 1.31 0.00 0.00 55.95 58.39 3gxi s SER 177 Cb -0.10 0.95 -0.07 0.00 0.21 0.00 0.00 66.02 67.01 3gxi s SER 177 CO 0.18 -0.21 0.58 -2.16 0.41 0.00 0.00 173.24 172.04 3gxi s PRO 178 N 1.69 3.79 -0.25 12.44 0.04 -1.26 -1.64 135.00 149.81 3gxi s PRO 178 Ca -0.08 0.27 -0.15 0.00 0.04 0.00 0.00 61.00 61.08 3gxi s PRO 178 Cb -0.09 -2.62 -0.10 0.00 0.04 0.00 0.00 34.50 31.73 3gxi s PRO 178 CO -0.13 0.27 -0.34 0.91 0.04 0.00 0.00 177.00 177.75 3gxi n TRP 179 N -0.33 0.03 -4.26 0.56 8.01 -1.26 -0.73 117.44 119.47 3gxi n TRP 179 Ca 0.01 0.01 -0.19 0.00 -1.31 0.00 0.00 57.50 56.02 3gxi n TRP 179 Cb 0.53 -0.84 -0.11 0.00 -2.01 0.00 0.00 31.31 28.87 3gxi n TRP 179 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 3gxi s THR 180 N -2.63 1.43 0.65 -0.99 -1.32 -1.26 -2.45 115.64 109.07 3gxi s THR 180 Ca -0.35 -1.75 -0.05 0.00 -1.21 0.00 0.00 61.69 58.32 3gxi s THR 180 Cb 0.11 -1.59 0.04 0.00 -1.51 0.00 0.00 72.50 69.55 3gxi s THR 180 CO 0.47 -0.39 0.95 -0.94 -2.21 0.00 0.00 174.62 172.50 3gxi s SER 181 N -2.48 5.07 0.29 8.08 1.04 -1.26 -4.98 113.70 119.45 3gxi s SER 181 Ca 0.10 0.44 -0.27 0.00 0.48 0.00 0.00 55.95 56.69 3gxi s SER 181 Cb -0.05 -1.21 -0.14 0.00 0.10 0.00 0.00 66.02 64.72 3gxi s SER 181 CO 0.04 -1.39 0.87 -2.65 0.98 0.00 0.00 173.24 171.08 3gxi n PRO 182 N -2.74 1.01 0.16 4.02 -0.02 -1.26 -4.84 135.00 131.32 3gxi n PRO 182 Ca 0.07 0.35 0.13 0.00 -2.02 0.00 0.00 63.50 62.04 3gxi n PRO 182 Cb 0.60 -1.65 0.43 0.00 -0.02 0.00 0.00 33.50 32.86 3gxi n PRO 182 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3gxi h THR 183 N 1.67 0.00 0.00 3.45 1.35 -1.89 -2.12 112.91 115.37 3gxi h THR 183 Ca -0.37 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 3gxi h THR 183 Cb 1.37 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 3gxi h THR 183 CO 0.59 0.00 0.00 -2.67 -0.25 0.00 0.00 175.52 173.19 3gxi n TRP 184 N -2.54 0.00 1.23 4.73 4.27 -1.26 -1.90 117.44 121.97 3gxi n TRP 184 Ca 0.04 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.77 3gxi n TRP 184 Cb 0.37 -0.40 0.31 0.00 -1.36 0.00 0.00 31.31 30.23 3gxi n TRP 184 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3gxi n LEU 185 N -1.40 1.51 -4.83 5.67 4.77 -0.80 -4.92 117.00 117.01 3gxi n LEU 185 Ca 0.08 -0.48 -0.31 0.00 -0.03 0.00 0.00 56.01 55.27 3gxi n LEU 185 Cb 0.22 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 3gxi n LEU 185 CO 0.19 0.27 -0.22 -0.54 -1.33 0.00 0.00 177.39 175.75 3gxi s LYS 186 N -2.33 3.08 0.37 3.23 1.02 -0.80 -1.25 119.74 123.06 3gxi s LYS 186 Ca 0.27 -0.61 0.05 0.00 0.02 0.00 0.00 55.97 55.70 3gxi s LYS 186 Cb 0.19 -2.84 0.73 0.00 -0.52 0.00 0.00 37.83 35.40 3gxi s LYS 186 CO 0.47 0.58 1.99 1.79 -0.92 0.00 0.00 175.35 179.26 3gxi h THR 187 N 2.38 1.07 -0.14 2.17 1.35 -1.21 -2.77 112.91 115.77 3gxi h THR 187 Ca -0.46 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3gxi h THR 187 Cb 1.16 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 3gxi h THR 187 CO 0.69 0.14 0.00 -0.46 -0.25 0.00 0.00 175.52 175.64 3gxi n ASN 188 N -4.46 2.89 -2.05 5.36 6.94 -1.26 -4.97 115.26 117.70 3gxi n ASN 188 Ca 0.08 -1.88 -0.14 0.00 -0.02 0.00 0.00 54.58 52.63 3gxi n ASN 188 Cb 0.15 -0.08 -0.03 0.00 -2.36 0.00 0.00 39.78 37.46 3gxi n ASN 188 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gxi n GLY 189 N 1.19 0.17 3.31 4.83 0.00 -1.05 -4.95 105.19 108.69 3gxi n GLY 189 Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 3gxi n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxi s ALA 190 N -2.49 1.81 0.07 4.61 0.00 -1.26 -4.87 121.76 119.64 3gxi s ALA 190 Ca 0.00 -1.59 0.20 0.00 0.00 0.00 0.00 51.96 50.57 3gxi s ALA 190 Cb 0.00 -0.04 0.65 0.00 0.00 0.00 0.00 23.12 23.73 3gxi s ALA 190 CO 0.00 0.02 1.71 -0.39 0.00 0.00 0.00 175.76 177.10 3gxi h VAL 191 N 2.67 0.71 -1.76 0.00 -1.51 -1.92 -3.44 116.25 110.99 3gxi h VAL 191 Ca -0.38 -1.47 0.00 0.00 -1.23 0.00 0.00 66.70 63.62 3gxi h VAL 191 Cb 1.21 1.96 0.00 0.00 -2.13 0.00 0.00 31.29 32.33 3gxi h VAL 191 CO 0.62 0.32 0.00 -0.46 -1.23 0.00 0.00 177.57 176.82 3gxi n ASN 192 N -3.40 0.68 -0.98 4.19 6.94 -1.26 -2.01 115.26 119.42 3gxi n ASN 192 Ca 0.00 -0.09 0.09 0.00 -0.02 0.00 0.00 54.58 54.57 3gxi n ASN 192 Cb 0.52 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.92 3gxi n ASN 192 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gxi n GLY 193 N 1.69 -1.70 3.61 4.83 0.00 0.17 -4.73 105.19 109.07 3gxi n GLY 193 Ca 0.00 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 3gxi n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gxi s LYS 194 N -1.21 3.69 -0.28 1.61 2.20 -1.23 -4.61 119.74 119.91 3gxi s LYS 194 Ca 0.00 1.06 -0.27 0.00 -0.36 0.00 0.00 55.97 56.40 3gxi s LYS 194 Cb 0.00 -3.98 0.18 0.00 -1.51 0.00 0.00 37.83 32.52 3gxi s LYS 194 CO 0.00 -1.41 1.34 0.20 -0.36 0.00 0.00 175.35 175.12 3gxi s GLY 195 N 3.56 0.17 0.27 5.54 0.00 -0.83 -4.61 107.32 111.43 3gxi s GLY 195 Ca 0.60 3.09 0.02 0.00 0.00 0.00 0.00 44.72 48.43 3gxi s GLY 195 CO 0.29 1.58 0.06 1.44 0.00 0.00 0.00 173.10 176.48 3gxi n SER 196 N 1.23 1.72 -4.76 1.64 7.64 -1.26 -0.53 113.62 119.30 3gxi n SER 196 Ca -0.07 -2.36 -0.36 0.00 1.01 0.00 0.00 58.87 57.09 3gxi n SER 196 Cb 0.58 0.50 0.03 0.00 -1.01 0.00 0.00 64.21 64.30 3gxi n SER 196 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gxi s LEU 197 N 0.00 3.70 0.38 -3.43 1.43 -1.26 -0.79 118.68 118.70 3gxi s LEU 197 Ca 0.08 2.35 -0.25 0.00 -1.03 0.00 0.00 54.13 55.29 3gxi s LEU 197 Cb 0.00 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.55 3gxi s LEU 197 CO 0.06 -1.49 1.02 -0.54 0.23 0.00 0.00 176.35 175.63 3gxi s LYS 198 N -3.29 4.30 3.50 1.70 1.02 -0.38 -4.57 119.74 122.01 3gxi s LYS 198 Ca 0.76 1.45 0.00 0.00 0.02 0.00 0.00 55.97 58.20 3gxi s LYS 198 Cb -0.29 -2.62 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 3gxi s LYS 198 CO 0.32 -0.01 0.00 0.41 -0.92 0.00 0.00 175.35 175.15 3gxi n GLY 199 N 0.37 0.42 3.29 -3.33 0.00 -1.26 -4.51 105.19 100.17 3gxi n GLY 199 Ca 0.04 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 3gxi n GLY 199 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gxi s GLN 200 N 0.00 0.92 0.07 1.61 -2.07 -1.26 -5.09 119.66 113.84 3gxi s GLN 200 Ca 0.00 -0.57 -0.30 0.00 -1.82 0.00 0.00 55.36 52.68 3gxi s GLN 200 Cb 0.00 0.40 -0.16 0.00 -1.09 0.00 0.00 33.01 32.16 3gxi s GLN 200 CO 0.00 -0.32 0.72 -2.30 -1.32 0.00 0.00 175.29 172.07 3gxi n PRO 201 N 0.26 0.00 0.00 9.60 -0.02 -1.26 -1.02 135.00 142.56 3gxi n PRO 201 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3gxi n PRO 201 Cb 0.61 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.99 3gxi n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxi n GLY 202 N 1.44 2.99 3.65 -1.23 0.00 -1.26 -5.04 105.19 105.74 3gxi n GLY 202 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3gxi n GLY 202 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3gxi s ASP 203 N 0.39 1.47 0.40 1.61 1.47 -0.19 -4.69 116.67 117.13 3gxi s ASP 203 Ca 0.00 0.68 0.07 0.00 1.18 0.00 0.00 52.55 54.49 3gxi s ASP 203 Cb 0.00 -0.98 0.81 0.00 -0.34 0.00 0.00 42.92 42.41 3gxi s ASP 203 CO 0.00 -3.79 2.00 -0.29 0.68 0.00 0.00 175.17 173.77 3gxi h ILE 204 N -2.35 1.13 0.04 2.11 2.10 -1.94 -0.45 117.51 118.15 3gxi h ILE 204 Ca -0.46 -0.42 -0.00 0.00 1.08 0.00 0.00 64.86 65.05 3gxi h ILE 204 Cb 1.30 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 37.79 3gxi h ILE 204 CO 0.39 0.16 -0.02 1.88 -1.08 0.00 0.00 178.15 179.48 3gxi h TYR 205 N 0.45 -0.05 -0.98 2.19 -1.99 -1.92 -1.24 116.97 113.43 3gxi h TYR 205 Ca 0.11 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.88 3gxi h TYR 205 Cb 0.11 0.02 -0.06 0.00 2.00 0.00 0.00 36.73 38.80 3gxi h TYR 205 CO 0.00 0.55 0.64 0.45 -0.00 0.00 0.00 178.16 179.80 3gxi h HIS 206 N -0.70 1.21 -0.25 4.88 3.86 -1.73 0.33 115.15 122.75 3gxi h HIS 206 Ca -0.01 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.15 3gxi h HIS 206 Cb 0.62 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 3gxi h HIS 206 CO 0.14 0.70 -0.22 1.96 0.86 0.00 0.00 177.93 181.36 3gxi h GLN 207 N 1.25 0.45 -0.33 2.45 1.08 -1.13 -1.44 115.11 117.44 3gxi h GLN 207 Ca 0.39 -0.16 -0.12 0.00 -1.45 0.00 0.00 58.65 57.31 3gxi h GLN 207 Cb -0.00 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 3gxi h GLN 207 CO -0.12 0.65 -0.27 1.15 -0.95 0.00 0.00 178.83 179.29 3gxi h THR 208 N 0.41 1.29 -0.21 -0.54 2.02 0.06 -0.80 112.91 115.13 3gxi h THR 208 Ca 0.06 -1.43 -0.01 0.00 0.77 0.00 0.00 66.41 65.80 3gxi h THR 208 Cb 0.62 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 3gxi h THR 208 CO 0.04 0.47 0.10 -0.25 0.37 0.00 0.00 175.52 176.25 3gxi h TRP 209 N 0.54 0.32 -1.00 3.16 -0.00 -0.27 -1.32 115.95 117.38 3gxi h TRP 209 Ca 0.06 -0.02 0.07 0.00 -0.00 0.00 0.00 58.89 59.00 3gxi h TRP 209 Cb 0.84 -0.10 -0.07 0.00 -0.00 0.00 0.00 29.16 29.84 3gxi h TRP 209 CO 0.07 0.34 0.65 0.00 -0.00 0.00 0.00 178.44 179.49 3gxi h ALA 210 N 0.95 1.40 -0.14 2.65 0.00 -1.27 -2.23 119.26 120.62 3gxi h ALA 210 Ca 0.07 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3gxi h ALA 210 Cb 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3gxi h ALA 210 CO -0.01 0.43 -0.25 -0.09 0.00 0.00 0.00 179.25 179.34 3gxi h ARG 211 N 1.17 0.24 -0.56 0.00 2.43 -0.57 -2.77 114.38 114.32 3gxi h ARG 211 Ca 0.44 -0.08 0.07 0.00 -0.81 0.00 0.00 59.98 59.60 3gxi h ARG 211 Cb 0.19 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 3gxi h ARG 211 CO -0.18 0.48 0.24 -0.92 -1.51 0.00 0.00 179.97 178.09 3gxi h TYR 212 N 0.22 0.44 -0.59 2.20 3.20 -0.62 0.57 116.97 122.39 3gxi h TYR 212 Ca 0.04 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.05 3gxi h TYR 212 Cb 0.56 -0.11 -0.10 0.00 1.54 0.00 0.00 36.73 38.62 3gxi h TYR 212 CO 0.01 0.17 -0.01 0.74 -1.64 0.00 0.00 178.16 177.43 3gxi h PHE 213 N 0.46 -0.06 -0.49 -3.82 -1.00 -1.44 0.20 116.94 110.80 3gxi h PHE 213 Ca 0.26 0.04 -0.09 0.00 2.81 0.00 0.00 57.97 61.00 3gxi h PHE 213 Cb 0.25 0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 3gxi h PHE 213 CO -0.13 -0.16 -0.06 0.28 -1.61 0.00 0.00 178.31 176.62 3gxi h VAL 214 N 0.11 1.27 -0.79 -0.55 2.07 -1.33 -1.68 116.25 115.35 3gxi h VAL 214 Ca 0.30 -1.17 0.08 0.00 0.82 0.00 0.00 66.70 66.73 3gxi h VAL 214 Cb 0.48 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 3gxi h VAL 214 CO -0.51 0.41 0.45 0.11 0.02 0.00 0.00 177.57 178.05 3gxi h LYS 215 N 0.75 0.77 -0.15 1.57 1.79 -0.44 0.33 116.57 121.19 3gxi h LYS 215 Ca 0.13 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.55 3gxi h LYS 215 Cb 0.60 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 3gxi h LYS 215 CO 0.04 0.51 0.08 0.35 -1.08 0.00 0.00 179.45 179.35 3gxi h PHE 216 N 0.80 0.21 -0.67 -1.35 3.57 -0.34 -1.25 116.94 117.90 3gxi h PHE 216 Ca 0.36 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.80 3gxi h PHE 216 Cb 0.27 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3gxi h PHE 216 CO -0.06 0.21 0.17 -0.07 -2.23 0.00 0.00 178.31 176.33 3gxi h LEU 217 N 0.15 1.02 -0.08 0.59 3.38 -0.80 -1.50 115.31 118.06 3gxi h LEU 217 Ca 0.05 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.83 3gxi h LEU 217 Cb 0.07 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3gxi h LEU 217 CO -0.01 0.98 -0.18 0.44 0.09 0.00 0.00 178.44 179.76 3gxi h ASP 218 N 1.00 -0.55 -0.46 -0.43 3.32 -0.30 -0.53 116.42 118.46 3gxi h ASP 218 Ca 0.21 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.38 3gxi h ASP 218 Cb 0.36 0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.12 3gxi h ASP 218 CO 0.00 -0.24 0.25 0.00 -1.72 0.00 0.00 179.24 177.53 3gxi h ALA 219 N 0.72 0.58 -0.38 3.45 0.00 -0.93 -1.06 119.26 121.64 3gxi h ALA 219 Ca 0.08 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3gxi h ALA 219 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3gxi h ALA 219 CO -0.23 -0.09 -0.22 1.88 0.00 0.00 0.00 179.25 180.60 3gxi h TYR 220 N 0.50 0.85 -0.51 0.00 -1.99 -1.21 -2.64 116.97 111.97 3gxi h TYR 220 Ca 0.19 -0.19 0.01 0.00 2.00 0.00 0.00 58.73 60.74 3gxi h TYR 220 Cb 0.07 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 38.57 3gxi h TYR 220 CO -0.09 0.90 0.34 0.00 -0.00 0.00 0.00 178.16 179.32 3gxi h ALA 221 N 1.09 1.65 0.00 3.88 0.00 -0.57 0.70 119.26 126.02 3gxi h ALA 221 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3gxi h ALA 221 Cb 0.72 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3gxi h ALA 221 CO 0.06 0.32 -0.07 0.93 0.00 0.00 0.00 179.25 180.49 3gxi h GLU 222 N 0.68 0.00 -0.65 0.00 5.08 -0.83 0.06 114.58 118.92 3gxi h GLU 222 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3gxi h GLU 222 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3gxi h GLU 222 CO -0.04 0.07 0.00 0.72 -1.00 0.00 0.00 179.01 178.76 3gxi n HIS 223 N -3.48 1.59 -3.06 4.33 8.25 0.16 -4.93 115.22 118.08 3gxi n HIS 223 Ca -0.02 -0.61 -0.19 0.00 -0.26 0.00 0.00 57.72 56.65 3gxi n HIS 223 Cb 0.20 -0.30 0.04 0.00 1.12 0.00 0.00 29.99 31.05 3gxi n HIS 223 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gxi n LYS 224 N 1.00 -4.88 -5.09 -0.41 5.02 0.01 -5.02 118.16 108.78 3gxi n LYS 224 Ca 0.26 0.72 -0.30 0.00 -2.02 0.00 0.00 58.31 56.96 3gxi n LYS 224 Cb 0.94 -5.25 -0.17 0.00 -0.02 0.00 0.00 35.03 30.53 3gxi n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gxi s LEU 225 N -5.73 2.00 0.13 -0.35 1.43 -0.73 -4.99 118.68 110.43 3gxi s LEU 225 Ca 0.33 -0.48 0.10 0.00 -1.03 0.00 0.00 54.13 53.04 3gxi s LEU 225 Cb -0.14 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 3gxi s LEU 225 CO 0.41 0.17 -0.24 -1.10 0.23 0.00 0.00 176.35 175.81 3gxi s GLN 226 N 0.20 1.30 -0.07 1.70 -1.52 -1.26 -2.61 119.66 117.40 3gxi s GLN 226 Ca -0.12 -1.31 -0.04 0.00 -1.95 0.00 0.00 55.36 51.94 3gxi s GLN 226 Cb -0.16 -1.66 -0.04 0.00 -0.22 0.00 0.00 33.01 30.93 3gxi s GLN 226 CO 0.06 0.38 0.13 -0.06 -0.25 0.00 0.00 175.29 175.55 3gxi s PHE 227 N -1.25 3.49 0.03 0.91 0.40 -1.26 -4.49 117.98 115.81 3gxi s PHE 227 Ca 0.12 0.39 -0.18 0.00 -0.60 0.00 0.00 56.93 56.66 3gxi s PHE 227 Cb -0.09 -1.86 -0.23 0.00 0.51 0.00 0.00 43.02 41.34 3gxi s PHE 227 CO 0.06 0.65 1.13 2.35 0.70 0.00 0.00 175.22 180.11 3gxi h TRP 228 N 4.53 0.75 -3.21 0.36 7.01 -1.07 -3.43 115.95 120.88 3gxi h TRP 228 Ca -0.52 -0.40 -0.04 0.00 2.11 0.00 0.00 58.89 60.04 3gxi h TRP 228 Cb 1.21 -0.09 -0.12 0.00 -2.10 0.00 0.00 29.16 28.06 3gxi h TRP 228 CO 0.70 1.23 0.06 0.00 -2.79 0.00 0.00 178.44 177.64 3gxi s ALA 229 N -3.25 -1.24 0.08 2.65 0.00 -1.02 -1.07 121.76 117.91 3gxi s ALA 229 Ca -0.12 0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.10 3gxi s ALA 229 Cb 0.05 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 3gxi s ALA 229 CO 0.85 -0.70 -0.15 0.14 0.00 0.00 0.00 175.76 175.90 3gxi s VAL 230 N -3.78 1.21 0.22 0.00 -7.23 -0.17 -1.48 120.40 109.16 3gxi s VAL 230 Ca 0.02 -1.36 -0.01 0.00 -1.81 0.00 0.00 61.98 58.82 3gxi s VAL 230 Cb 0.00 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.74 3gxi s VAL 230 CO -0.12 -0.21 0.41 0.42 -0.31 0.00 0.00 175.10 175.28 3gxi s THR 231 N -1.30 5.18 -0.24 5.32 -4.23 0.16 -0.68 115.64 119.86 3gxi s THR 231 Ca -0.00 -0.33 0.28 0.00 -1.18 0.00 0.00 61.69 60.45 3gxi s THR 231 Cb -0.10 -3.74 0.30 0.00 1.34 0.00 0.00 72.50 70.31 3gxi s THR 231 CO 0.03 -0.20 1.82 0.00 -0.54 0.00 0.00 174.62 175.73 3gxi h ALA 232 N 1.92 1.00 0.00 3.99 0.00 -1.52 -3.41 119.26 121.24 3gxi h ALA 232 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3gxi h ALA 232 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3gxi h ALA 232 CO 0.67 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 178.01 3gxi n GLU 233 N -2.55 0.00 -2.24 0.00 4.07 -1.26 -4.93 120.64 113.73 3gxi n GLU 233 Ca 0.01 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.69 3gxi n GLU 233 Cb 0.24 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.59 3gxi n GLU 233 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 3gxi s ASN 234 N 0.00 6.88 -1.02 4.31 2.47 0.10 -4.29 114.94 123.39 3gxi s ASN 234 Ca 0.00 2.15 -0.20 0.00 0.42 0.00 0.00 52.86 55.23 3gxi s ASN 234 Cb 0.00 -2.57 0.03 0.00 -1.45 0.00 0.00 41.25 37.26 3gxi s ASN 234 CO 0.00 -0.66 0.62 -0.62 -3.72 0.00 0.00 177.10 172.72 3gxi n GLU 235 N 4.75 -0.74 0.27 0.43 1.02 0.07 -4.75 120.64 121.70 3gxi n GLU 235 Ca 0.12 0.31 0.15 0.00 -0.02 0.00 0.00 57.16 57.72 3gxi n GLU 235 Cb 0.44 -2.23 0.88 0.00 -0.02 0.00 0.00 31.44 30.51 3gxi n GLU 235 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3gxi h PRO 236 N -1.57 0.00 0.00 3.49 0.13 -1.75 -1.18 132.00 131.12 3gxi h PRO 236 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 3gxi h PRO 236 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 3gxi h PRO 236 CO 0.44 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.87 3gxi h SER 237 N 0.00 0.00 -0.32 1.44 4.64 -1.87 -2.08 113.55 115.37 3gxi h SER 237 Ca 0.02 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.24 3gxi h SER 237 Cb 0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 3gxi h SER 237 CO -0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 176.83 175.80 3gxi h ALA 238 N 2.09 0.95 0.00 5.18 0.00 -1.55 -3.09 119.26 122.84 3gxi h ALA 238 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3gxi h ALA 238 Cb 0.53 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3gxi h ALA 238 CO 0.00 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.27 3gxi n GLY 239 N -0.36 -0.61 0.19 0.00 0.00 -1.17 -2.11 105.19 101.13 3gxi n GLY 239 Ca 0.01 -0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3gxi n GLY 239 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gxi n LEU 240 N -0.51 1.11 -4.66 0.99 4.77 -1.17 -1.96 117.00 115.57 3gxi n LEU 240 Ca 0.00 -0.69 -0.37 0.00 -0.03 0.00 0.00 56.01 54.93 3gxi n LEU 240 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 3gxi n LEU 240 CO 0.00 0.23 -0.09 -0.76 -1.33 0.00 0.00 177.39 175.44 3gxi s LEU 241 N -2.00 4.13 0.32 2.23 1.43 -0.90 -4.95 118.68 118.95 3gxi s LEU 241 Ca 0.08 0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 53.12 3gxi s LEU 241 Cb 0.09 -2.23 -0.11 0.00 0.03 0.00 0.00 46.19 43.97 3gxi s LEU 241 CO 0.36 0.02 1.58 -0.94 0.23 0.00 0.00 176.35 177.59 3gxi s SER 242 N 1.05 6.34 -0.28 2.29 1.04 -1.26 -2.05 113.70 120.83 3gxi s SER 242 Ca 0.11 3.01 0.00 0.00 0.48 0.00 0.00 55.95 59.55 3gxi s SER 242 Cb -0.14 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.34 3gxi s SER 242 CO 0.06 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.96 3gxi n GLY 243 N 1.66 0.48 3.64 7.32 0.00 -1.26 -4.86 105.19 112.16 3gxi n GLY 243 Ca 0.06 -0.13 -0.52 0.00 0.00 0.00 0.00 46.02 45.43 3gxi n GLY 243 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gxi n TYR 244 N -2.53 1.84 0.12 1.61 9.36 -0.87 -4.61 117.16 122.08 3gxi n TYR 244 Ca -0.03 0.50 -0.00 0.00 3.32 0.00 0.00 57.90 61.69 3gxi n TYR 244 Cb 0.28 -2.43 0.01 0.00 -0.63 0.00 0.00 39.34 36.58 3gxi n TYR 244 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3gxi h PRO 245 N 5.91 0.00 -6.54 2.98 0.13 -1.92 0.49 132.00 133.04 3gxi h PRO 245 Ca -0.47 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.20 3gxi h PRO 245 Cb 1.31 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.46 3gxi h PRO 245 CO 0.86 0.64 -0.19 -0.06 -0.23 0.00 0.00 178.00 179.02 3gxi s PHE 246 N -2.95 3.33 0.10 1.56 2.99 -1.26 -4.83 117.98 116.92 3gxi s PHE 246 Ca 0.03 0.19 -0.36 0.00 0.00 0.00 0.00 56.93 56.79 3gxi s PHE 246 Cb 0.09 -2.06 -0.17 0.00 0.00 0.00 0.00 43.02 40.88 3gxi s PHE 246 CO 0.76 -0.07 1.30 1.04 -0.00 0.00 0.00 175.22 178.24 3gxi n GLN 247 N -1.86 1.12 -3.66 0.44 3.00 -1.26 -4.41 117.38 110.75 3gxi n GLN 247 Ca -0.02 0.40 -0.10 0.00 -0.01 0.00 0.00 57.00 57.28 3gxi n GLN 247 Cb 0.57 -2.01 -0.02 0.00 0.00 0.00 0.00 30.24 28.77 3gxi n GLN 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gxi s LEU 249 N -2.84 -0.33 0.26 0.00 2.96 -1.03 -4.42 118.68 113.29 3gxi s LEU 249 Ca 0.07 -0.16 -0.29 0.00 -0.22 0.00 0.00 54.13 53.52 3gxi s LEU 249 Cb -0.03 0.68 -0.09 0.00 0.50 0.00 0.00 46.19 47.25 3gxi s LEU 249 CO -0.03 -0.33 1.15 -0.83 -1.32 0.00 0.00 176.35 174.99 3gxi s GLY 250 N 2.41 2.96 -0.07 7.98 0.00 0.31 -4.49 107.32 116.42 3gxi s GLY 250 Ca 0.09 0.96 -0.03 0.00 0.00 0.00 0.00 44.72 45.74 3gxi s GLY 250 CO -0.17 1.65 0.16 -1.36 0.00 0.00 0.00 173.10 173.37 3gxi s PHE 251 N -0.88 -0.18 0.85 1.90 0.40 -0.79 -4.41 117.98 114.87 3gxi s PHE 251 Ca 0.47 0.54 -0.11 0.00 -0.60 0.00 0.00 56.93 57.22 3gxi s PHE 251 Cb -0.33 -0.11 0.10 0.00 0.51 0.00 0.00 43.02 43.19 3gxi s PHE 251 CO 0.42 -0.20 1.09 0.95 0.70 0.00 0.00 175.22 178.18 3gxi s THR 252 N 1.44 2.86 0.43 0.64 -4.23 -1.26 -4.27 115.64 111.26 3gxi s THR 252 Ca -0.06 0.28 0.13 0.00 -1.18 0.00 0.00 61.69 60.86 3gxi s THR 252 Cb -0.12 -2.86 0.32 0.00 1.34 0.00 0.00 72.50 71.18 3gxi s THR 252 CO -0.06 -0.36 2.00 1.55 -0.54 0.00 0.00 174.62 177.20 3gxi h PRO 253 N -1.34 0.40 -0.32 3.99 0.13 -1.98 -1.45 132.00 131.42 3gxi h PRO 253 Ca -0.48 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 64.48 3gxi h PRO 253 Cb 1.27 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3gxi h PRO 253 CO 0.56 0.27 -0.37 0.93 -0.23 0.00 0.00 178.00 179.15 3gxi h GLU 254 N 0.42 0.74 -0.54 0.86 3.07 -1.94 -0.57 114.58 116.61 3gxi h GLU 254 Ca 0.25 -0.37 -0.10 0.00 -0.50 0.00 0.00 59.36 58.64 3gxi h GLU 254 Cb 0.45 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 3gxi h GLU 254 CO -0.07 0.99 -0.05 1.25 -1.40 0.00 0.00 179.01 179.74 3gxi h HIS 255 N 0.61 1.10 0.08 4.33 2.76 -1.79 -1.23 115.15 121.00 3gxi h HIS 255 Ca 0.06 -0.21 0.00 0.00 -2.20 0.00 0.00 60.37 58.02 3gxi h HIS 255 Cb 0.92 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 3gxi h HIS 255 CO 0.05 1.01 -0.08 0.37 -1.30 0.00 0.00 177.93 177.98 3gxi h GLN 256 N 0.87 -0.17 -0.75 5.26 4.15 -0.99 0.20 115.11 123.68 3gxi h GLN 256 Ca 0.15 0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.70 3gxi h GLN 256 Cb 0.60 0.04 -0.13 0.00 0.21 0.00 0.00 27.48 28.20 3gxi h GLN 256 CO 0.04 -0.11 -0.37 -0.09 -1.93 0.00 0.00 178.83 176.36 3gxi h ARG 257 N -0.17 -0.10 -0.25 1.69 2.43 -1.00 0.18 114.38 117.15 3gxi h ARG 257 Ca 0.00 0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 58.99 3gxi h ARG 257 Cb 0.17 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3gxi h ARG 257 CO -0.02 -0.07 -0.61 -0.44 -1.51 0.00 0.00 179.97 177.32 3gxi h ASP 258 N -0.11 0.95 -0.43 -3.80 3.32 -1.00 -0.22 116.42 115.13 3gxi h ASP 258 Ca 0.27 -0.54 0.03 0.00 0.02 0.00 0.00 57.03 56.81 3gxi h ASP 258 Cb 0.57 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 3gxi h ASP 258 CO -0.80 1.33 0.23 0.15 -1.72 0.00 0.00 179.24 178.43 3gxi h PHE 259 N 0.62 0.42 0.39 4.55 3.57 -0.67 0.41 116.94 126.23 3gxi h PHE 259 Ca -0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3gxi h PHE 259 Cb 1.22 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.84 3gxi h PHE 259 CO 0.07 0.22 -0.20 0.82 -2.23 0.00 0.00 178.31 176.99 3gxi h ILE 260 N 0.45 0.58 -0.23 1.41 2.04 -0.54 0.15 117.51 121.37 3gxi h ILE 260 Ca 0.18 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.07 3gxi h ILE 260 Cb 0.08 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3gxi h ILE 260 CO -0.12 0.00 0.08 0.00 0.00 0.00 0.00 178.15 178.11 3gxi h ALA 261 N 0.06 0.26 0.01 1.87 0.00 -0.80 0.22 119.26 120.88 3gxi h ALA 261 Ca -0.05 0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.59 3gxi h ALA 261 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3gxi h ALA 261 CO 0.07 -0.33 -1.65 0.00 0.00 0.00 0.00 179.25 177.34 3gxi h ARG 262 N 0.19 0.03 0.00 0.00 2.47 -0.22 -3.41 114.38 113.44 3gxi h ARG 262 Ca 0.10 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 3gxi h ARG 262 Cb 0.06 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 3gxi h ARG 262 CO -0.10 0.62 0.00 -0.25 0.56 0.00 0.00 179.97 180.80 3gxi n ASP 263 N -3.12 0.59 -0.01 7.04 8.00 0.07 -4.62 116.55 124.50 3gxi n ASP 263 Ca -0.16 0.19 -0.12 0.00 0.71 0.00 0.00 54.79 55.41 3gxi n ASP 263 Cb 1.04 -0.10 -0.08 0.00 -0.02 0.00 0.00 41.12 41.96 3gxi n ASP 263 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3gxi h LEU 264 N 0.00 0.09 0.46 0.64 5.85 -0.87 -1.40 115.31 120.08 3gxi h LEU 264 Ca 0.00 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 3gxi h LEU 264 Cb 0.00 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3gxi h LEU 264 CO 0.00 0.32 -0.40 1.23 -0.34 0.00 0.00 178.44 179.26 3gxi h GLY 265 N -0.16 -1.14 0.18 3.75 0.00 -1.15 -0.67 103.07 103.89 3gxi h GLY 265 Ca 0.02 0.51 0.12 0.00 0.00 0.00 0.00 47.33 47.98 3gxi h GLY 265 CO 0.00 -0.36 0.21 -2.55 0.00 0.00 0.00 176.54 173.85 3gxi h PRO 266 N -0.84 0.35 -0.29 4.80 0.11 -1.75 0.19 132.00 134.57 3gxi h PRO 266 Ca -0.06 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 3gxi h PRO 266 Cb 0.71 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 3gxi h PRO 266 CO -0.01 0.23 0.11 1.15 -0.21 0.00 0.00 178.00 179.26 3gxi h THR 267 N 0.36 1.18 -0.68 -1.15 2.02 -1.10 0.63 112.91 114.17 3gxi h THR 267 Ca 0.36 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 3gxi h THR 267 Cb 0.53 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 3gxi h THR 267 CO -0.40 0.19 0.38 -0.07 0.37 0.00 0.00 175.52 176.00 3gxi h LEU 268 N 0.32 0.85 -0.90 2.58 3.38 -0.67 -2.70 115.31 118.16 3gxi h LEU 268 Ca 0.10 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3gxi h LEU 268 Cb 0.20 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3gxi h LEU 268 CO -0.01 0.70 0.08 0.00 0.09 0.00 0.00 178.44 179.30 3gxi h ALA 269 N 1.19 1.10 0.00 1.53 0.00 -0.61 -2.19 119.26 120.27 3gxi h ALA 269 Ca 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gxi h ALA 269 Cb 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3gxi h ALA 269 CO -0.04 0.59 0.00 -1.71 0.00 0.00 0.00 179.25 178.09 3gxi n ASN 270 N -4.24 0.00 -5.01 0.00 5.15 0.18 -4.69 115.26 106.66 3gxi n ASN 270 Ca 0.04 -0.60 -0.17 0.00 -0.60 0.00 0.00 54.58 53.24 3gxi n ASN 270 Cb 0.27 -0.09 0.01 0.00 -0.53 0.00 0.00 39.78 39.44 3gxi n ASN 270 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3gxi s SER 271 N -2.18 5.65 0.00 1.20 1.04 -0.82 -4.97 113.70 113.61 3gxi s SER 271 Ca 0.35 -0.40 0.15 0.00 0.48 0.00 0.00 55.95 56.54 3gxi s SER 271 Cb 0.18 -0.68 0.74 0.00 0.10 0.00 0.00 66.02 66.37 3gxi s SER 271 CO 0.33 -0.77 1.44 0.35 0.98 0.00 0.00 173.24 175.57 3gxi n THR 272 N -1.87 0.64 -1.15 2.02 -2.24 -1.26 -3.16 114.28 107.26 3gxi n THR 272 Ca 0.08 0.16 -0.15 0.00 -2.27 0.00 0.00 64.05 61.87 3gxi n THR 272 Cb 0.59 -0.91 0.24 0.00 -2.10 0.00 0.00 70.33 68.16 3gxi n THR 272 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3gxi n HIS 273 N -1.33 2.75 0.31 4.78 8.25 -1.26 -4.62 115.22 124.10 3gxi n HIS 273 Ca 0.07 -1.53 0.19 0.00 -0.26 0.00 0.00 57.72 56.19 3gxi n HIS 273 Cb 0.13 -0.82 0.95 0.00 1.12 0.00 0.00 29.99 31.38 3gxi n HIS 273 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3gxi h HIS 274 N 1.83 0.00 0.00 4.41 -0.00 -1.58 -1.71 115.15 118.10 3gxi h HIS 274 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.82 3gxi h HIS 274 Cb 2.60 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 30.01 3gxi h HIS 274 CO 1.44 0.00 0.00 -0.91 -0.00 0.00 0.00 177.93 178.46 3gxi h ASN 275 N 0.00 0.00 -2.66 3.10 2.35 -1.89 -3.46 115.58 113.03 3gxi h ASN 275 Ca 0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.23 3gxi h ASN 275 Cb 0.19 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.61 3gxi h ASN 275 CO 0.00 0.00 1.02 -0.69 -1.65 0.00 0.00 177.43 176.11 3gxi s VAL 276 N -3.27 2.47 0.72 2.81 1.01 -0.65 -4.98 120.40 118.50 3gxi s VAL 276 Ca 0.06 0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.11 3gxi s VAL 276 Cb 0.06 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.34 3gxi s VAL 276 CO 0.65 0.01 1.09 -0.13 0.00 0.00 0.00 175.10 176.72 3gxi s ARG 277 N 1.91 2.74 -0.15 2.72 1.81 -0.23 -4.88 118.95 122.87 3gxi s ARG 277 Ca 0.76 0.52 0.01 0.00 -1.72 0.00 0.00 55.73 55.29 3gxi s ARG 277 Cb -0.46 -2.00 0.02 0.00 -0.45 0.00 0.00 34.95 32.06 3gxi s ARG 277 CO 0.33 -1.13 -0.16 -1.17 -0.68 0.00 0.00 175.30 172.50 3gxi s LEU 278 N -5.44 1.78 -0.12 2.53 2.96 -1.26 -1.00 118.68 118.14 3gxi s LEU 278 Ca 0.59 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 53.94 3gxi s LEU 278 Cb -0.12 -1.24 -0.03 0.00 0.50 0.00 0.00 46.19 45.30 3gxi s LEU 278 CO 0.52 -0.04 0.03 -0.76 -1.32 0.00 0.00 176.35 174.78 3gxi s LEU 279 N 1.40 3.69 0.55 -0.68 1.43 0.15 -0.57 118.68 124.65 3gxi s LEU 279 Ca 0.04 0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.33 3gxi s LEU 279 Cb -0.13 -1.87 0.06 0.00 0.03 0.00 0.00 46.19 44.27 3gxi s LEU 279 CO -0.10 0.32 0.76 0.00 0.23 0.00 0.00 176.35 177.56 3gxi s MET 280 N -0.52 2.40 1.97 1.70 0.23 -0.44 -1.25 119.30 123.39 3gxi s MET 280 Ca 0.09 -1.18 0.00 0.00 -1.03 0.00 0.00 55.69 53.58 3gxi s MET 280 Cb -0.12 -2.57 0.00 0.00 -1.53 0.00 0.00 34.83 30.61 3gxi s MET 280 CO 0.02 -0.76 0.00 -0.11 -2.03 0.00 0.00 175.02 172.14 3gxi n LEU 281 N -2.27 0.00 -3.22 0.18 7.94 -1.26 -0.67 117.00 117.70 3gxi n LEU 281 Ca 0.11 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.86 3gxi n LEU 281 Cb 0.60 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.63 3gxi n LEU 281 CO 0.42 0.00 0.07 -0.67 -1.11 0.00 0.00 177.39 176.09 3gxi n ASP 282 N 4.74 -4.21 -2.73 1.96 2.03 0.12 -4.33 116.55 114.12 3gxi n ASP 282 Ca 0.00 -0.63 -0.10 0.00 0.52 0.00 0.00 54.79 54.58 3gxi n ASP 282 Cb 0.00 -4.91 0.01 0.00 -0.72 0.00 0.00 41.12 35.50 3gxi n ASP 282 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3gxi n ASP 283 N -3.07 -1.87 -4.70 1.67 -0.08 -1.15 -0.75 116.55 106.60 3gxi n ASP 283 Ca -0.17 -2.58 -0.40 0.00 -1.51 0.00 0.00 54.79 50.13 3gxi n ASP 283 Cb 0.64 3.20 0.03 0.00 2.34 0.00 0.00 41.12 47.33 3gxi n ASP 283 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gxi n GLN 284 N -0.51 1.65 0.27 -0.67 1.13 -1.26 -0.40 117.38 117.59 3gxi n GLN 284 Ca -0.05 0.60 0.17 0.00 -1.94 0.00 0.00 57.00 55.77 3gxi n GLN 284 Cb 0.55 -2.39 0.65 0.00 0.11 0.00 0.00 30.24 29.16 3gxi n GLN 284 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 3gxi h ARG 285 N 1.57 0.00 -0.13 -1.09 0.11 -1.90 -2.85 114.38 110.09 3gxi h ARG 285 Ca -0.49 0.00 0.04 0.00 0.10 0.00 0.00 59.98 59.63 3gxi h ARG 285 Cb 1.31 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.39 3gxi h ARG 285 CO 0.57 0.01 0.22 1.37 0.10 0.00 0.00 179.97 182.24 3gxi h LEU 286 N 0.00 0.00 0.00 0.08 8.10 -1.88 -0.05 115.31 121.55 3gxi h LEU 286 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3gxi h LEU 286 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.77 3gxi h LEU 286 CO 0.00 0.00 0.00 0.18 -4.11 0.00 0.00 178.44 174.51 3gxi n LEU 287 N -3.47 0.00 -4.88 0.17 4.77 -1.08 -4.79 117.00 107.73 3gxi n LEU 287 Ca 0.01 0.30 -0.30 0.00 -0.03 0.00 0.00 56.01 55.99 3gxi n LEU 287 Cb 0.32 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 3gxi n LEU 287 CO 0.23 -0.03 -0.18 -0.76 -1.33 0.00 0.00 177.39 175.32 3gxi s LEU 288 N -2.60 4.17 0.00 2.23 1.43 -0.04 -1.17 118.68 122.71 3gxi s LEU 288 Ca 0.25 0.16 0.30 0.00 -1.03 0.00 0.00 54.13 53.81 3gxi s LEU 288 Cb 0.18 -2.79 1.48 0.00 0.03 0.00 0.00 46.19 45.09 3gxi s LEU 288 CO 0.43 0.15 2.01 -0.81 0.23 0.00 0.00 176.35 178.36 3gxi n PRO 289 N 0.22 0.60 -0.17 1.29 -0.04 -1.26 -4.59 135.00 131.05 3gxi n PRO 289 Ca -0.06 -0.08 -0.07 0.00 -0.04 0.00 0.00 63.50 63.24 3gxi n PRO 289 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 3gxi n PRO 289 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3gxi h HIS 290 N 0.20 -1.05 -0.94 0.54 2.76 -1.90 -0.21 115.15 114.55 3gxi h HIS 290 Ca 0.00 0.07 0.03 0.00 -2.20 0.00 0.00 60.37 58.27 3gxi h HIS 290 Cb 0.27 0.54 -0.05 0.00 1.55 0.00 0.00 27.41 29.71 3gxi h HIS 290 CO 0.00 -0.40 0.62 -1.49 -1.30 0.00 0.00 177.93 175.35 3gxi h TRP 291 N -0.22 1.16 -0.37 5.26 4.06 -1.50 -0.75 115.95 123.58 3gxi h TRP 291 Ca 0.19 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.15 3gxi h TRP 291 Cb 0.56 -0.39 -0.02 0.00 -1.00 0.00 0.00 29.16 28.32 3gxi h TRP 291 CO -0.63 0.67 0.16 0.00 -3.56 0.00 0.00 178.44 175.07 3gxi h ALA 292 N 1.38 0.48 -0.48 1.49 0.00 -1.40 -2.39 119.26 118.35 3gxi h ALA 292 Ca 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3gxi h ALA 292 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3gxi h ALA 292 CO -0.12 0.07 0.31 0.87 0.00 0.00 0.00 179.25 180.39 3gxi h LYS 293 N 0.46 0.63 0.07 0.00 1.57 -0.34 0.24 116.57 119.20 3gxi h LYS 293 Ca 0.12 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3gxi h LYS 293 Cb 0.17 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3gxi h LYS 293 CO -0.01 0.42 -0.10 0.28 -0.57 0.00 0.00 179.45 179.47 3gxi h VAL 294 N 0.65 0.76 -0.05 0.50 2.07 -1.02 -2.59 116.25 116.56 3gxi h VAL 294 Ca 0.17 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.61 3gxi h VAL 294 Cb -0.07 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3gxi h VAL 294 CO -0.04 0.00 -0.29 0.58 0.02 0.00 0.00 177.57 177.84 3gxi h VAL 295 N -0.21 1.45 0.00 2.57 2.07 -1.31 -3.37 116.25 117.45 3gxi h VAL 295 Ca 0.02 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.79 3gxi h VAL 295 Cb 0.22 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 3gxi h VAL 295 CO -0.05 0.49 -0.40 0.18 0.02 0.00 0.00 177.57 177.81 3gxi n LEU 296 N -4.46 0.41 0.00 2.57 4.77 0.85 -2.72 117.00 118.41 3gxi n LEU 296 Ca -0.09 0.13 0.15 0.00 -0.03 0.00 0.00 56.01 56.17 3gxi n LEU 296 Cb 0.49 -0.30 0.84 0.00 -2.33 0.00 0.00 43.42 42.13 3gxi n LEU 296 CO 0.41 0.08 1.03 0.41 -1.33 0.00 0.00 177.39 177.99 3gxi n THR 297 N -1.56 0.02 -3.85 -5.08 -1.04 -0.98 -4.62 114.28 97.17 3gxi n THR 297 Ca 0.06 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.72 3gxi n THR 297 Cb 0.35 -0.54 -0.13 0.00 -1.82 0.00 0.00 70.33 68.19 3gxi n THR 297 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3gxi s ASP 298 N -2.13 5.05 0.50 8.00 2.15 -1.10 -4.98 116.67 124.16 3gxi s ASP 298 Ca 0.41 -1.66 0.22 0.00 0.43 0.00 0.00 52.55 51.94 3gxi s ASP 298 Cb 0.20 -1.76 1.29 0.00 -0.30 0.00 0.00 42.92 42.35 3gxi s ASP 298 CO 0.36 -0.39 1.98 -0.65 -0.17 0.00 0.00 175.17 176.31 3gxi h PRO 299 N 8.00 0.12 0.00 4.34 0.11 -1.86 0.25 132.00 142.96 3gxi h PRO 299 Ca -0.16 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.84 3gxi h PRO 299 Cb 1.05 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3gxi h PRO 299 CO 0.60 0.08 -0.45 0.93 -0.21 0.00 0.00 178.00 178.95 3gxi h GLU 300 N 0.12 0.00 0.00 1.05 4.39 -1.93 -2.35 114.58 115.86 3gxi h GLU 300 Ca 0.27 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.93 3gxi h GLU 300 Cb 0.90 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 3gxi h GLU 300 CO -0.03 0.45 -0.25 0.00 -1.16 0.00 0.00 179.01 178.02 3gxi h ALA 301 N 1.55 0.05 -0.35 3.43 0.00 -1.11 -3.40 119.26 119.42 3gxi h ALA 301 Ca -0.00 -0.51 0.06 0.00 0.00 0.00 0.00 54.91 54.46 3gxi h ALA 301 Cb 1.07 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3gxi h ALA 301 CO 0.06 0.16 0.24 0.00 0.00 0.00 0.00 179.25 179.71 3gxi h ALA 302 N -0.40 2.03 0.00 0.00 0.00 -0.65 -1.15 119.26 119.09 3gxi h ALA 302 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gxi h ALA 302 Cb 0.78 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3gxi h ALA 302 CO -0.04 -0.10 0.00 1.57 0.00 0.00 0.00 179.25 180.68 3gxi h LYS 303 N 0.23 0.00 -0.01 0.00 2.10 -1.66 -2.28 116.57 114.95 3gxi h LYS 303 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 3gxi h LYS 303 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 3gxi h LYS 303 CO -0.03 0.00 -0.70 0.66 -2.00 0.00 0.00 179.45 177.38 3gxi n TYR 304 N -2.74 0.00 -3.75 0.07 0.53 -0.44 -4.95 117.16 105.88 3gxi n TYR 304 Ca -0.02 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.50 3gxi n TYR 304 Cb 0.08 0.00 -0.12 0.00 -1.03 0.00 0.00 39.34 38.27 3gxi n TYR 304 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3gxi s VAL 305 N -2.66 4.50 -0.04 -0.72 1.01 -0.86 -4.38 120.40 117.24 3gxi s VAL 305 Ca 0.13 -0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.10 3gxi s VAL 305 Cb 0.17 -3.10 -0.23 0.00 0.00 0.00 0.00 36.38 33.21 3gxi s VAL 305 CO 0.69 0.33 0.67 -0.74 0.00 0.00 0.00 175.10 176.06 3gxi h HIS 306 N 8.15 0.05 -2.79 5.22 2.76 -1.14 -3.49 115.15 123.92 3gxi h HIS 306 Ca -0.38 -0.04 0.07 0.00 -2.20 0.00 0.00 60.37 57.83 3gxi h HIS 306 Cb 1.18 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.11 3gxi h HIS 306 CO 0.68 1.07 0.38 0.20 -1.30 0.00 0.00 177.93 178.96 3gxi s GLY 307 N -5.13 0.16 -0.19 5.26 0.00 -1.19 -3.58 107.32 102.65 3gxi s GLY 307 Ca -0.06 -0.47 -0.00 0.00 0.00 0.00 0.00 44.72 44.19 3gxi s GLY 307 CO 0.82 0.52 -0.16 -0.42 0.00 0.00 0.00 173.10 173.86 3gxi s ILE 308 N -2.61 2.36 -0.08 0.90 1.01 0.87 -1.33 121.20 122.32 3gxi s ILE 308 Ca 0.16 -0.84 -0.18 0.00 0.00 0.00 0.00 60.65 59.79 3gxi s ILE 308 Cb -0.04 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 3gxi s ILE 308 CO 0.08 0.51 0.49 0.00 0.00 0.00 0.00 174.94 176.03 3gxi s ALA 309 N 1.33 3.51 0.23 9.38 0.00 0.16 -1.20 121.76 135.18 3gxi s ALA 309 Ca 0.05 -0.14 0.12 0.00 0.00 0.00 0.00 51.96 51.98 3gxi s ALA 309 Cb -0.13 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 3gxi s ALA 309 CO -0.11 0.10 -0.21 0.14 0.00 0.00 0.00 175.76 175.69 3gxi s VAL 310 N 0.21 2.47 0.12 0.00 -7.23 0.18 0.10 120.40 116.25 3gxi s VAL 310 Ca 0.27 -2.18 0.07 0.00 -1.81 0.00 0.00 61.98 58.33 3gxi s VAL 310 Cb -0.16 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 3gxi s VAL 310 CO 0.12 -0.24 -0.05 -1.00 -0.31 0.00 0.00 175.10 173.62 3gxi s HIS 311 N -2.05 2.82 -0.13 2.82 3.76 0.46 -0.69 115.29 122.27 3gxi s HIS 311 Ca 0.25 -0.12 0.19 0.00 -0.15 0.00 0.00 55.06 55.23 3gxi s HIS 311 Cb -0.07 -1.44 -0.17 0.00 1.11 0.00 0.00 32.58 32.01 3gxi s HIS 311 CO 0.13 0.47 0.68 0.91 -0.85 0.00 0.00 174.74 176.07 3gxi n TRP 312 N 0.43 0.61 -0.26 1.40 8.01 -0.57 -3.79 117.44 123.26 3gxi n TRP 312 Ca -0.12 0.19 -0.05 0.00 -1.31 0.00 0.00 57.50 56.22 3gxi n TRP 312 Cb 0.53 -0.91 -0.03 0.00 -2.01 0.00 0.00 31.31 28.89 3gxi n TRP 312 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.69 177.66 3gxi n TYR 313 N -2.68 -0.18 -0.60 -5.99 4.19 -1.12 -0.19 117.16 110.59 3gxi n TYR 313 Ca -0.10 0.79 -0.05 0.00 3.31 0.00 0.00 57.90 61.85 3gxi n TYR 313 Cb 0.76 -0.61 0.24 0.00 0.49 0.00 0.00 39.34 40.22 3gxi n TYR 313 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 3gxi n LEU 314 N -4.84 5.27 0.10 2.98 4.77 -1.26 -3.84 117.00 120.19 3gxi n LEU 314 Ca 0.03 -2.74 0.17 0.00 -0.03 0.00 0.00 56.01 53.44 3gxi n LEU 314 Cb 0.20 -0.70 0.72 0.00 -2.33 0.00 0.00 43.42 41.31 3gxi n LEU 314 CO -0.10 0.72 1.16 0.44 -1.33 0.00 0.00 177.39 178.28 3gxi h ASP 315 N 2.09 0.00 0.47 -1.43 5.19 -0.86 -1.78 116.42 120.10 3gxi h ASP 315 Ca 0.22 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.60 3gxi h ASP 315 Cb 2.03 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.53 3gxi h ASP 315 CO 0.60 0.00 -0.18 2.19 -3.12 0.00 0.00 179.24 178.74 3gxi h PHE 316 N 0.00 0.00 0.00 4.55 -0.00 -1.81 -2.52 116.94 117.17 3gxi h PHE 316 Ca 0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 58.10 3gxi h PHE 316 Cb 0.71 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.66 3gxi h PHE 316 CO 0.00 0.18 -0.14 -0.07 -0.00 0.00 0.00 178.31 178.28 3gxi h LEU 317 N 0.00 0.00 -7.25 2.10 3.38 -1.70 -3.45 115.31 108.40 3gxi h LEU 317 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 3gxi h LEU 317 Cb 0.46 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.88 3gxi h LEU 317 CO 0.02 0.14 -0.56 0.00 0.09 0.00 0.00 178.44 178.13 3gxi s ALA 318 N -3.55 -0.41 0.65 1.53 0.00 -0.95 -5.02 121.76 114.00 3gxi s ALA 318 Ca 0.02 0.81 -0.15 0.00 0.00 0.00 0.00 51.96 52.63 3gxi s ALA 318 Cb 0.09 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 3gxi s ALA 318 CO 0.62 -0.54 1.11 -1.25 0.00 0.00 0.00 175.76 175.70 3gxi s PRO 319 N 2.18 2.85 0.24 0.00 0.04 -1.26 -4.85 135.00 134.19 3gxi s PRO 319 Ca 0.00 1.41 -0.07 0.00 0.04 0.00 0.00 61.00 62.39 3gxi s PRO 319 Cb -0.12 -1.95 0.27 0.00 0.04 0.00 0.00 34.50 32.74 3gxi s PRO 319 CO -0.07 -1.22 1.88 0.00 0.04 0.00 0.00 177.00 177.63 3gxi h ALA 320 N 0.14 1.15 -0.32 8.56 0.00 -1.99 -3.02 119.26 123.77 3gxi h ALA 320 Ca -0.47 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 3gxi h ALA 320 Cb 1.25 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3gxi h ALA 320 CO 0.54 0.40 -0.01 -0.22 0.00 0.00 0.00 179.25 179.96 3gxi h LYS 321 N 1.08 0.58 0.00 0.00 3.64 -1.95 0.15 116.57 120.07 3gxi h LYS 321 Ca 0.35 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3gxi h LYS 321 Cb 0.02 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3gxi h LYS 321 CO -0.12 0.71 0.00 0.00 -2.27 0.00 0.00 179.45 177.77 3gxi h ALA 322 N 0.84 1.00 -0.60 5.00 0.00 -1.94 0.42 119.26 123.98 3gxi h ALA 322 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gxi h ALA 322 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gxi h ALA 322 CO 0.02 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.52 3gxi n THR 323 N -2.40 0.00 0.00 0.00 -2.24 -1.02 -4.39 114.28 104.24 3gxi n THR 323 Ca 0.02 0.10 -0.12 0.00 -2.27 0.00 0.00 64.05 61.78 3gxi n THR 323 Cb 0.24 -1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 67.37 3gxi n THR 323 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3gxi h LEU 324 N 0.00 0.07 -0.21 3.22 3.38 -0.95 -1.86 115.31 118.96 3gxi h LEU 324 Ca 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3gxi h LEU 324 Cb 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3gxi h LEU 324 CO 0.00 0.20 0.07 1.23 0.09 0.00 0.00 178.44 180.04 3gxi h GLY 325 N -0.06 0.33 1.16 0.83 0.00 -1.01 -1.64 103.07 102.69 3gxi h GLY 325 Ca 0.02 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 3gxi h GLY 325 CO -0.00 0.18 -0.08 -2.09 0.00 0.00 0.00 176.54 174.55 3gxi h GLU 326 N 0.17 0.98 -0.43 4.80 4.57 -0.97 -1.91 114.58 121.78 3gxi h GLU 326 Ca 0.07 -0.34 -0.00 0.00 -1.18 0.00 0.00 59.36 57.90 3gxi h GLU 326 Cb 0.20 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 3gxi h GLU 326 CO -0.00 1.01 0.26 1.15 -1.18 0.00 0.00 179.01 180.25 3gxi h THR 327 N 0.88 1.14 -0.75 0.32 2.02 -1.20 -2.13 112.91 113.19 3gxi h THR 327 Ca 0.14 -0.32 0.05 0.00 0.77 0.00 0.00 66.41 67.06 3gxi h THR 327 Cb 0.63 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.55 3gxi h THR 327 CO 0.04 0.14 0.45 -0.74 0.37 0.00 0.00 175.52 175.79 3gxi h HIS 328 N 0.58 0.84 -0.52 3.16 -0.00 -0.99 -0.05 115.15 118.17 3gxi h HIS 328 Ca 0.16 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.49 3gxi h HIS 328 Cb -0.00 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.12 3gxi h HIS 328 CO -0.03 0.43 0.09 -0.09 -0.00 0.00 0.00 177.93 178.33 3gxi h ARG 329 N 0.85 0.81 0.00 5.26 2.43 -1.06 0.83 114.38 123.50 3gxi h ARG 329 Ca 0.33 -0.18 -0.18 0.00 -0.81 0.00 0.00 59.98 59.13 3gxi h ARG 329 Cb 0.14 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3gxi h ARG 329 CO -0.16 0.76 -1.10 -0.07 -1.51 0.00 0.00 179.97 177.89 3gxi h LEU 330 N 0.78 0.00 -5.98 3.80 3.38 -0.97 -3.39 115.31 112.92 3gxi h LEU 330 Ca 0.16 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.60 3gxi h LEU 330 Cb 0.34 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.71 3gxi h LEU 330 CO 0.01 0.74 -1.12 0.49 0.09 0.00 0.00 178.44 178.65 3gxi n PHE 331 N -3.13 -0.32 0.41 1.13 3.01 -0.07 -4.97 117.46 113.52 3gxi n PHE 331 Ca -0.05 -3.58 0.12 0.00 1.01 0.00 0.00 57.45 54.95 3gxi n PHE 331 Cb 0.87 -0.32 0.48 0.00 -0.01 0.00 0.00 39.48 40.50 3gxi n PHE 331 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3gxi n PRO 332 N 1.17 0.19 -0.36 -1.08 -0.04 0.26 -1.92 135.00 133.21 3gxi n PRO 332 Ca 0.22 0.41 0.11 0.00 -0.04 0.00 0.00 63.50 64.20 3gxi n PRO 332 Cb 0.56 -1.85 0.31 0.00 -0.04 0.00 0.00 33.50 32.48 3gxi n PRO 332 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3gxi n ASN 333 N -2.20 3.81 -4.21 3.54 3.02 -1.26 -4.81 115.26 113.15 3gxi n ASN 333 Ca 0.02 -2.01 -0.35 0.00 -0.03 0.00 0.00 54.58 52.21 3gxi n ASN 333 Cb 0.23 -0.48 -0.14 0.00 -0.61 0.00 0.00 39.78 38.78 3gxi n ASN 333 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3gxi s THR 334 N -1.06 3.10 0.52 3.41 2.01 -0.81 -5.01 115.64 117.79 3gxi s THR 334 Ca 0.48 -1.11 -0.22 0.00 0.31 0.00 0.00 61.69 61.15 3gxi s THR 334 Cb 0.25 -2.66 -0.06 0.00 0.01 0.00 0.00 72.50 70.04 3gxi s THR 334 CO 0.32 0.06 1.29 0.00 -0.69 0.00 0.00 174.62 175.60 3gxi s MET 335 N 1.33 3.33 -0.12 4.92 0.23 -1.23 -4.76 119.30 122.99 3gxi s MET 335 Ca -0.02 2.08 -0.04 0.00 -1.03 0.00 0.00 55.69 56.68 3gxi s MET 335 Cb -0.18 -2.29 -0.04 0.00 -1.53 0.00 0.00 34.83 30.79 3gxi s MET 335 CO -0.02 -0.99 0.04 -0.51 -2.03 0.00 0.00 175.02 171.51 3gxi s LEU 336 N -3.39 3.79 -0.04 0.18 1.43 -1.26 -0.09 118.68 119.30 3gxi s LEU 336 Ca 0.69 0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.96 3gxi s LEU 336 Cb -0.36 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 43.97 3gxi s LEU 336 CO 0.43 0.34 0.10 0.12 0.23 0.00 0.00 176.35 177.57 3gxi s PHE 337 N -0.61 -0.10 -0.55 0.29 5.36 -0.34 -0.87 117.98 121.16 3gxi s PHE 337 Ca 0.11 0.30 -0.21 0.00 -0.96 0.00 0.00 56.93 56.17 3gxi s PHE 337 Cb -0.12 -0.03 0.06 0.00 -0.34 0.00 0.00 43.02 42.59 3gxi s PHE 337 CO 0.02 -0.09 0.78 0.00 -1.46 0.00 0.00 175.22 174.48 3gxi s ALA 338 N 0.51 3.28 -0.46 11.12 0.00 -0.15 0.50 121.76 136.55 3gxi s ALA 338 Ca -0.04 -1.62 0.23 0.00 0.00 0.00 0.00 51.96 50.53 3gxi s ALA 338 Cb -0.05 -3.56 0.09 0.00 0.00 0.00 0.00 23.12 19.59 3gxi s ALA 338 CO -0.02 -2.26 1.07 -1.13 0.00 0.00 0.00 175.76 173.42 3gxi n SER 339 N 6.82 0.67 -3.48 0.00 3.41 0.13 -0.29 113.62 120.88 3gxi n SER 339 Ca -0.04 0.06 -0.29 0.00 -0.26 0.00 0.00 58.87 58.35 3gxi n SER 339 Cb 0.46 0.59 -0.12 0.00 -0.26 0.00 0.00 64.21 64.88 3gxi n SER 339 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3gxi s GLU 340 N -3.26 0.68 -1.21 4.33 2.12 -1.18 -4.43 118.70 115.75 3gxi s GLU 340 Ca 0.02 -1.50 -0.10 0.00 0.36 0.00 0.00 54.97 53.75 3gxi s GLU 340 Cb 0.13 -1.44 0.20 0.00 0.26 0.00 0.00 34.13 33.28 3gxi s GLU 340 CO 0.78 -1.22 1.54 0.00 -0.54 0.00 0.00 175.26 175.82 3gxi n ALA 341 N 3.85 4.58 -3.63 6.30 0.00 0.22 -1.51 120.51 130.32 3gxi n ALA 341 Ca 0.14 -4.40 -0.18 0.00 0.00 0.00 0.00 53.44 49.00 3gxi n ALA 341 Cb 0.38 -2.86 -0.15 0.00 0.00 0.00 0.00 19.45 16.82 3gxi n ALA 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gxi s VAL 343 N 2.29 2.28 -0.31 0.00 0.11 -1.26 -2.79 120.40 120.72 3gxi s VAL 343 Ca 0.04 -1.20 -0.28 0.00 -2.93 0.00 0.00 61.98 57.61 3gxi s VAL 343 Cb -0.13 -2.48 0.01 0.00 -1.53 0.00 0.00 36.38 32.26 3gxi s VAL 343 CO -0.07 0.00 1.04 -0.83 -3.33 0.00 0.00 175.10 171.90 3gxi s GLY 344 N -4.40 1.59 0.07 6.54 0.00 -1.25 -4.88 107.32 104.99 3gxi s GLY 344 Ca 0.51 -0.07 -0.31 0.00 0.00 0.00 0.00 44.72 44.85 3gxi s GLY 344 CO 0.31 2.20 1.74 -0.45 0.00 0.00 0.00 173.10 176.90 3gxi s SER 345 N 1.59 6.54 0.20 1.64 0.15 -1.26 -4.97 113.70 117.59 3gxi s SER 345 Ca 0.44 2.55 -0.32 0.00 0.70 0.00 0.00 55.95 59.32 3gxi s SER 345 Cb -0.13 -2.56 -0.13 0.00 -1.71 0.00 0.00 66.02 61.49 3gxi s SER 345 CO 0.14 -0.94 1.55 0.29 1.20 0.00 0.00 173.24 175.47 3gxi n LYS 346 N 6.02 2.24 0.32 5.44 4.01 -1.26 -4.85 118.16 130.07 3gxi n LYS 346 Ca 0.17 0.80 0.14 0.00 -0.51 0.00 0.00 58.31 58.91 3gxi n LYS 346 Cb 0.40 -2.55 0.72 0.00 -0.51 0.00 0.00 35.03 33.09 3gxi n LYS 346 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 3gxi h PHE 347 N 5.39 0.00 -0.40 2.13 -5.15 -2.00 -0.70 116.94 116.21 3gxi h PHE 347 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 3gxi h PHE 347 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.42 3gxi h PHE 347 CO 0.60 0.00 0.00 -2.67 -2.00 0.00 0.00 178.31 174.24 3gxi n TRP 348 N -2.90 0.54 -4.17 6.09 2.14 -1.26 -4.98 117.44 112.89 3gxi n TRP 348 Ca -0.01 -0.47 -0.24 0.00 2.07 0.00 0.00 57.50 58.85 3gxi n TRP 348 Cb 0.47 -0.02 -0.06 0.00 -0.81 0.00 0.00 31.31 30.89 3gxi n TRP 348 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 3gxi s GLU 349 N -1.01 2.64 0.73 -2.67 2.02 -0.27 -5.11 118.70 115.03 3gxi s GLU 349 Ca 0.28 -1.11 -0.14 0.00 0.02 0.00 0.00 54.97 54.02 3gxi s GLU 349 Cb 0.15 -2.44 0.04 0.00 0.10 0.00 0.00 34.13 31.98 3gxi s GLU 349 CO 0.19 0.43 1.14 -0.65 0.02 0.00 0.00 175.26 176.39 3gxi s GLN 350 N -3.40 2.30 0.19 1.61 -0.21 -1.26 -4.90 119.66 114.00 3gxi s GLN 350 Ca 0.31 1.49 -0.11 0.00 0.02 0.00 0.00 55.36 57.06 3gxi s GLN 350 Cb -0.08 -1.88 0.21 0.00 1.00 0.00 0.00 33.01 32.25 3gxi s GLN 350 CO 0.22 -1.65 1.75 0.77 -2.12 0.00 0.00 175.29 174.26 3gxi h SER 351 N -0.47 0.23 -3.30 5.90 0.02 -1.86 -3.41 113.55 110.66 3gxi h SER 351 Ca -0.46 0.06 -0.66 0.00 -0.84 0.00 0.00 61.79 59.89 3gxi h SER 351 Cb 1.26 0.03 -0.29 0.00 0.14 0.00 0.00 62.40 63.55 3gxi h SER 351 CO 0.51 0.16 -0.77 -0.69 -1.14 0.00 0.00 176.83 174.89 3gxi s VAL 352 N -6.12 2.96 -0.42 2.27 1.01 -1.26 -2.45 120.40 116.40 3gxi s VAL 352 Ca -0.13 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.23 3gxi s VAL 352 Cb 0.15 -2.29 0.11 0.00 0.00 0.00 0.00 36.38 34.36 3gxi s VAL 352 CO 0.74 0.49 0.15 -0.13 0.00 0.00 0.00 175.10 176.34 3gxi s ARG 353 N 0.97 1.65 -0.20 2.72 0.52 -1.26 -5.04 118.95 118.31 3gxi s ARG 353 Ca -0.02 -2.16 -0.28 0.00 -0.52 0.00 0.00 55.73 52.75 3gxi s ARG 353 Cb -0.15 -3.16 -0.05 0.00 0.52 0.00 0.00 34.95 32.11 3gxi s ARG 353 CO -0.01 -1.02 2.12 -0.51 0.02 0.00 0.00 175.30 175.89 3gxi s LEU 354 N 0.41 3.60 0.00 2.53 1.43 -1.26 -2.12 118.68 123.27 3gxi s LEU 354 Ca 0.14 1.92 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 3gxi s LEU 354 Cb -0.22 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.48 3gxi s LEU 354 CO -0.05 -1.78 0.00 0.61 0.23 0.00 0.00 176.35 175.36 3gxi n GLY 355 N 5.51 0.89 3.59 -3.19 0.00 -1.26 -4.23 105.19 106.49 3gxi n GLY 355 Ca 0.27 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3gxi n GLY 355 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gxi s SER 356 N -2.09 5.69 0.27 1.61 0.15 -0.90 -1.03 113.70 117.40 3gxi s SER 356 Ca 0.00 1.17 -0.02 0.00 0.70 0.00 0.00 55.95 57.80 3gxi s SER 356 Cb 0.00 -2.52 0.38 0.00 -1.71 0.00 0.00 66.02 62.16 3gxi s SER 356 CO 0.00 -1.89 1.81 -0.25 1.20 0.00 0.00 173.24 174.11 3gxi h TRP 357 N 13.69 0.86 -0.73 3.44 2.91 -1.90 -3.13 115.95 131.08 3gxi h TRP 357 Ca -0.32 -0.09 0.08 0.00 1.13 0.00 0.00 58.89 59.69 3gxi h TRP 357 Cb 1.18 -0.25 -0.06 0.00 -0.51 0.00 0.00 29.16 29.51 3gxi h TRP 357 CO 0.97 0.74 0.40 0.22 -1.03 0.00 0.00 178.44 179.74 3gxi h ASP 358 N 0.79 0.58 0.06 2.65 3.58 -1.99 -1.20 116.42 120.89 3gxi h ASP 358 Ca 0.17 0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.55 3gxi h ASP 358 Cb 0.33 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 3gxi h ASP 358 CO 0.00 0.35 -0.36 0.03 -2.88 0.00 0.00 179.24 176.38 3gxi h ARG 359 N 0.71 0.41 0.11 0.28 3.08 -1.96 -0.19 114.38 116.82 3gxi h ARG 359 Ca 0.34 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 3gxi h ARG 359 Cb 0.28 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3gxi h ARG 359 CO -0.22 0.72 -0.05 0.78 -1.07 0.00 0.00 179.97 180.12 3gxi h GLY 360 N 1.11 -0.15 0.56 0.04 0.00 -1.36 -2.62 103.07 100.65 3gxi h GLY 360 Ca 0.04 0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.52 3gxi h GLY 360 CO 0.06 -0.05 0.63 -0.33 0.00 0.00 0.00 176.54 176.85 3gxi h MET 361 N -0.32 1.01 -0.95 4.80 2.86 -0.91 -1.05 114.93 120.37 3gxi h MET 361 Ca -0.01 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3gxi h MET 361 Cb 0.26 -0.23 -0.05 0.00 0.06 0.00 0.00 31.60 31.65 3gxi h MET 361 CO 0.02 0.67 0.63 1.96 1.06 0.00 0.00 176.91 181.25 3gxi h GLN 362 N 1.04 1.24 0.24 1.72 4.20 -0.82 0.69 115.11 123.42 3gxi h GLN 362 Ca 0.47 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 59.09 3gxi h GLN 362 Cb 0.37 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3gxi h GLN 362 CO -0.23 0.82 -0.12 1.88 -0.67 0.00 0.00 178.83 180.51 3gxi h TYR 363 N 1.27 -0.30 -0.41 2.96 -1.99 -0.85 -1.59 116.97 116.07 3gxi h TYR 363 Ca 0.35 -0.01 -0.05 0.00 2.00 0.00 0.00 58.73 61.03 3gxi h TYR 363 Cb -0.12 0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.69 3gxi h TYR 363 CO -0.00 -0.09 0.08 0.66 -0.00 0.00 0.00 178.16 178.80 3gxi h SER 364 N -0.46 0.65 -0.35 3.88 4.64 -1.14 0.21 113.55 120.98 3gxi h SER 364 Ca -0.03 -0.25 0.06 0.00 -0.47 0.00 0.00 61.79 61.09 3gxi h SER 364 Cb 0.35 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.21 3gxi h SER 364 CO 0.05 0.74 0.01 -0.74 -0.87 0.00 0.00 176.83 176.02 3gxi h HIS 365 N 0.54 0.01 -0.48 4.77 -0.00 -0.92 0.24 115.15 119.30 3gxi h HIS 365 Ca 0.13 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.43 3gxi h HIS 365 Cb 0.36 0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.80 3gxi h HIS 365 CO 0.02 -0.05 -0.05 1.03 -0.00 0.00 0.00 177.93 178.88 3gxi h SER 366 N 0.12 0.82 -0.29 3.26 0.87 -1.00 -1.27 113.55 116.05 3gxi h SER 366 Ca 0.17 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 3gxi h SER 366 Cb 0.23 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3gxi h SER 366 CO -0.27 0.92 0.18 0.40 -0.53 0.00 0.00 176.83 177.53 3gxi h ILE 367 N 0.77 1.09 -0.37 2.23 2.04 -0.61 -0.64 117.51 122.02 3gxi h ILE 367 Ca 0.14 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.85 3gxi h ILE 367 Cb 0.54 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 3gxi h ILE 367 CO 0.03 0.08 0.14 0.40 0.00 0.00 0.00 178.15 178.81 3gxi h ILE 368 N 0.38 0.91 -0.52 -0.67 2.04 -0.68 -0.92 117.51 118.06 3gxi h ILE 368 Ca 0.11 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3gxi h ILE 368 Cb -0.02 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3gxi h ILE 368 CO -0.02 0.06 0.28 0.74 0.00 0.00 0.00 178.15 179.20 3gxi h THR 369 N 0.30 1.18 -0.25 -0.27 2.02 -0.98 0.06 112.91 114.98 3gxi h THR 369 Ca 0.16 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 66.92 3gxi h THR 369 Cb 0.13 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 3gxi h THR 369 CO -0.16 0.19 0.08 0.78 0.37 0.00 0.00 175.52 176.78 3gxi h ASN 370 N 0.69 0.09 -0.66 4.18 -0.26 -0.86 -1.05 115.58 117.70 3gxi h ASN 370 Ca 0.18 0.03 0.05 0.00 -0.56 0.00 0.00 56.30 56.00 3gxi h ASN 370 Cb 0.05 0.02 -0.04 0.00 -1.06 0.00 0.00 38.32 37.29 3gxi h ASN 370 CO -0.03 0.08 0.44 -0.07 -1.06 0.00 0.00 177.43 176.79 3gxi h LEU 371 N 0.19 0.62 -0.17 1.61 3.38 -0.70 -0.82 115.31 119.43 3gxi h LEU 371 Ca 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3gxi h LEU 371 Cb 0.08 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3gxi h LEU 371 CO -0.11 0.42 0.00 0.18 0.09 0.00 0.00 178.44 179.01 3gxi n LEU 372 N -4.47 0.42 -2.15 1.67 4.77 -0.03 -3.21 117.00 114.00 3gxi n LEU 372 Ca 0.09 0.56 -0.23 0.00 -0.03 0.00 0.00 56.01 56.40 3gxi n LEU 372 Cb 0.19 -0.46 0.02 0.00 -2.33 0.00 0.00 43.42 40.83 3gxi n LEU 372 CO 0.34 -0.24 0.17 -1.22 -1.33 0.00 0.00 177.39 175.11 3gxi n TYR 373 N -1.92 2.76 -0.92 -1.77 4.02 -0.43 -4.97 117.16 113.93 3gxi n TYR 373 Ca 0.05 -2.37 0.00 0.00 -0.01 0.00 0.00 57.90 55.56 3gxi n TYR 373 Cb 0.31 -0.29 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 3gxi n TYR 373 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3gxi n HIS 374 N -0.66 0.00 -2.37 -0.72 8.25 -1.06 -4.63 115.22 114.03 3gxi n HIS 374 Ca 0.41 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.46 3gxi n HIS 374 Cb 0.91 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.98 3gxi n HIS 374 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gxi s VAL 375 N -3.87 3.50 -0.58 1.59 1.01 -0.53 -4.47 120.40 117.04 3gxi s VAL 375 Ca 0.00 1.30 0.19 0.00 0.00 0.00 0.00 61.98 63.47 3gxi s VAL 375 Cb 0.00 -3.83 -0.24 0.00 0.00 0.00 0.00 36.38 32.31 3gxi s VAL 375 CO 0.00 0.23 0.67 1.33 0.00 0.00 0.00 175.10 177.32 3gxi n VAL 376 N 2.25 0.00 -3.68 2.92 0.24 -0.05 -4.49 118.33 115.52 3gxi n VAL 376 Ca 0.03 -0.19 -0.04 0.00 -2.04 0.00 0.00 64.34 62.10 3gxi n VAL 376 Cb 0.44 0.66 -0.01 0.00 -1.47 0.00 0.00 33.84 33.46 3gxi n VAL 376 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3gxi s GLY 377 N -3.30 -0.30 -0.04 7.63 0.00 -1.26 0.94 107.32 110.99 3gxi s GLY 377 Ca 0.02 0.42 -0.01 0.00 0.00 0.00 0.00 44.72 45.14 3gxi s GLY 377 CO 0.79 0.10 0.08 -0.98 0.00 0.00 0.00 173.10 173.08 3gxi s TRP 378 N -3.11 -0.04 -0.26 1.90 0.51 -0.14 -0.97 118.94 116.83 3gxi s TRP 378 Ca 0.11 0.30 -0.05 0.00 -2.12 0.00 0.00 56.10 54.33 3gxi s TRP 378 Cb -0.00 -0.24 -0.00 0.00 -0.81 0.00 0.00 33.47 32.41 3gxi s TRP 378 CO -0.01 -0.15 0.02 0.95 -0.51 0.00 0.00 176.95 177.26 3gxi s THR 379 N 1.42 3.73 1.10 2.01 -4.23 0.60 -0.34 115.64 119.93 3gxi s THR 379 Ca -0.05 -0.57 -0.15 0.00 -1.18 0.00 0.00 61.69 59.73 3gxi s THR 379 Cb -0.12 -2.82 0.16 0.00 1.34 0.00 0.00 72.50 71.06 3gxi s THR 379 CO -0.04 0.25 0.47 -0.67 -0.54 0.00 0.00 174.62 174.08 3gxi n ASP 380 N 4.83 -1.94 0.00 3.99 2.03 0.97 0.73 116.55 127.16 3gxi n ASP 380 Ca -0.16 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.12 3gxi n ASP 380 Cb 0.49 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 3gxi n ASP 380 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 3gxi n TRP 381 N -4.47 0.00 -1.60 -0.67 -0.00 -1.26 -2.51 117.44 106.93 3gxi n TRP 381 Ca 0.03 0.00 -0.52 0.00 -0.00 0.00 0.00 57.50 57.01 3gxi n TRP 381 Cb 0.58 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.83 3gxi n TRP 381 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 3gxi n ASN 382 N 0.00 1.78 0.20 5.87 3.02 -1.26 -0.56 115.26 124.31 3gxi n ASN 382 Ca 0.00 1.11 0.04 0.00 -0.03 0.00 0.00 54.58 55.70 3gxi n ASN 382 Cb 0.00 -1.20 0.42 0.00 -0.61 0.00 0.00 39.78 38.39 3gxi n ASN 382 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3gxi h LEU 383 N 4.80 0.02 -7.45 3.41 3.38 -1.65 -3.41 115.31 114.41 3gxi h LEU 383 Ca -0.47 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.37 3gxi h LEU 383 Cb 1.33 -0.01 -0.21 0.00 0.09 0.00 0.00 40.66 41.86 3gxi h LEU 383 CO 0.79 0.29 -0.25 0.00 0.09 0.00 0.00 178.44 179.36 3gxi s ALA 384 N -4.43 -0.87 0.25 1.53 0.00 -1.26 -3.83 121.76 113.16 3gxi s ALA 384 Ca -0.04 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.50 3gxi s ALA 384 Cb 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 3gxi s ALA 384 CO 0.71 -0.24 0.15 -0.51 0.00 0.00 0.00 175.76 175.87 3gxi s LEU 385 N -0.93 1.45 0.76 0.00 1.43 -0.69 -3.84 118.68 116.87 3gxi s LEU 385 Ca -0.10 -1.47 -0.05 0.00 -1.03 0.00 0.00 54.13 51.48 3gxi s LEU 385 Cb -0.04 0.28 0.13 0.00 0.03 0.00 0.00 46.19 46.59 3gxi s LEU 385 CO 0.04 -0.86 1.06 0.54 0.23 0.00 0.00 176.35 177.36 3gxi s ASN 386 N -3.27 4.17 0.11 2.29 2.20 -0.37 -1.34 114.94 118.73 3gxi s ASN 386 Ca 0.38 -0.12 0.16 0.00 -0.94 0.00 0.00 52.86 52.34 3gxi s ASN 386 Cb 0.06 -0.24 0.69 0.00 -2.00 0.00 0.00 41.25 39.76 3gxi s ASN 386 CO 0.16 -1.99 1.49 -2.65 -2.94 0.00 0.00 177.10 171.17 3gxi n PRO 387 N -3.03 0.07 0.00 3.55 -0.02 -1.26 -0.95 135.00 133.37 3gxi n PRO 387 Ca 0.14 0.37 0.14 0.00 -2.02 0.00 0.00 63.50 62.13 3gxi n PRO 387 Cb 0.60 -1.66 0.46 0.00 -0.02 0.00 0.00 33.50 32.89 3gxi n PRO 387 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gxi n GLU 388 N -1.79 1.28 -1.27 -0.52 4.71 -1.26 -4.60 120.64 117.18 3gxi n GLU 388 Ca 0.02 -0.74 0.00 0.00 -0.01 0.00 0.00 57.16 56.43 3gxi n GLU 388 Cb 0.15 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.10 3gxi n GLU 388 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gxi n GLY 389 N 1.25 0.47 0.79 0.62 0.00 -0.12 -4.77 105.19 103.43 3gxi n GLY 389 Ca 0.16 -0.92 -0.06 0.00 0.00 0.00 0.00 46.02 45.20 3gxi n GLY 389 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxi n GLY 390 N -2.14 3.91 3.82 -0.02 0.00 -1.25 -4.67 105.19 104.84 3gxi n GLY 390 Ca 0.00 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 3gxi n GLY 390 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxi s PRO 391 N -2.37 3.83 -0.14 1.61 0.04 -1.26 -1.23 135.00 135.47 3gxi s PRO 391 Ca 0.05 1.14 -0.06 0.00 0.04 0.00 0.00 61.00 62.17 3gxi s PRO 391 Cb 0.00 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.50 3gxi s PRO 391 CO 0.03 -0.38 0.29 1.21 0.04 0.00 0.00 177.00 178.19 3gxi s ASN 392 N -2.56 0.06 0.05 6.66 3.84 -1.26 -4.30 114.94 117.43 3gxi s ASN 392 Ca 0.63 0.66 0.20 0.00 0.21 0.00 0.00 52.86 54.56 3gxi s ASN 392 Cb -0.13 0.74 0.83 0.00 -0.55 0.00 0.00 41.25 42.14 3gxi s ASN 392 CO 0.26 -0.22 1.63 -2.67 -2.79 0.00 0.00 177.10 173.31 3gxi n TRP 393 N 5.03 0.19 -0.04 0.43 4.27 -0.64 -4.11 117.44 122.57 3gxi n TRP 393 Ca -0.12 0.07 -0.05 0.00 -3.89 0.00 0.00 57.50 53.51 3gxi n TRP 393 Cb 0.51 -0.61 -0.02 0.00 -1.36 0.00 0.00 31.31 29.83 3gxi n TRP 393 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 3gxi n VAL 394 N -1.66 0.95 -3.65 -1.67 0.31 -1.26 -5.10 118.33 106.25 3gxi n VAL 394 Ca 0.04 0.26 -0.03 0.00 -0.01 0.00 0.00 64.34 64.61 3gxi n VAL 394 Cb 0.23 -1.90 -0.07 0.00 -0.91 0.00 0.00 33.84 31.19 3gxi n VAL 394 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3gxi s ARG 395 N -2.12 0.15 -0.03 5.55 3.52 -1.26 -5.15 118.95 119.61 3gxi s ARG 395 Ca -0.15 0.20 -0.30 0.00 -0.13 0.00 0.00 55.73 55.35 3gxi s ARG 395 Cb 0.02 0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.44 3gxi s ARG 395 CO 0.22 -0.02 1.09 -0.80 -0.81 0.00 0.00 175.30 174.98 3gxi s ASN 396 N 0.38 7.19 0.00 -2.12 0.01 -1.26 -4.90 114.94 114.24 3gxi s ASN 396 Ca 0.02 1.74 0.00 0.00 -0.71 0.00 0.00 52.86 53.91 3gxi s ASN 396 Cb -0.04 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.05 3gxi s ASN 396 CO -0.13 -0.44 0.00 0.49 -1.51 0.00 0.00 177.10 175.51 3gxi n PHE 397 N 4.54 0.00 -4.35 2.20 3.72 -1.26 -4.77 117.46 117.53 3gxi n PHE 397 Ca 0.09 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.20 3gxi n PHE 397 Cb 0.48 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.90 3gxi n PHE 397 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3gxi s VAL 398 N -1.10 2.58 0.79 -4.37 -7.23 -1.26 -4.61 120.40 105.20 3gxi s VAL 398 Ca 0.00 -1.68 -0.03 0.00 -1.81 0.00 0.00 61.98 58.46 3gxi s VAL 398 Cb 0.00 -2.18 0.16 0.00 0.56 0.00 0.00 36.38 34.92 3gxi s VAL 398 CO 0.00 0.06 1.08 -0.62 -0.31 0.00 0.00 175.10 175.31 3gxi s ASP 399 N -2.21 3.97 -0.05 4.85 -1.08 -1.03 -4.57 116.67 116.55 3gxi s ASP 399 Ca 0.17 -0.37 -0.14 0.00 -0.52 0.00 0.00 52.55 51.69 3gxi s ASP 399 Cb -0.10 0.14 0.03 0.00 -1.46 0.00 0.00 42.92 41.53 3gxi s ASP 399 CO 0.09 -2.13 0.32 -0.55 0.52 0.00 0.00 175.17 173.42 3gxi s SER 400 N -4.82 -0.25 0.63 -0.34 0.15 -1.26 -4.88 113.70 102.93 3gxi s SER 400 Ca 0.69 0.29 0.40 0.00 0.70 0.00 0.00 55.95 58.03 3gxi s SER 400 Cb -0.04 0.44 2.12 0.00 -1.71 0.00 0.00 66.02 66.83 3gxi s SER 400 CO 0.47 -0.34 2.28 -0.65 1.20 0.00 0.00 173.24 176.19 3gxi h PRO 401 N 4.43 0.00 -4.64 5.44 0.11 -1.80 -3.40 132.00 132.13 3gxi h PRO 401 Ca -0.29 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.34 3gxi h PRO 401 Cb 1.18 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.97 3gxi h PRO 401 CO 0.36 0.01 -0.81 0.42 -0.21 0.00 0.00 178.00 177.78 3gxi s ILE 402 N -4.13 1.03 -0.14 4.15 1.01 -1.25 -0.81 121.20 121.06 3gxi s ILE 402 Ca -0.04 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.18 3gxi s ILE 402 Cb 0.13 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.68 3gxi s ILE 402 CO 0.46 0.32 -0.20 -0.63 0.00 0.00 0.00 174.94 174.89 3gxi s ILE 403 N 0.44 1.93 -0.24 2.92 -1.09 -0.64 -1.71 121.20 122.81 3gxi s ILE 403 Ca -0.09 -0.90 -0.10 0.00 -2.23 0.00 0.00 60.65 57.33 3gxi s ILE 403 Cb -0.13 -1.72 -0.05 0.00 -1.58 0.00 0.00 42.46 38.99 3gxi s ILE 403 CO 0.02 0.52 0.14 -0.69 -1.23 0.00 0.00 174.94 173.70 3gxi s VAL 404 N 0.89 5.12 -0.59 2.92 1.01 -0.45 0.09 120.40 129.39 3gxi s VAL 404 Ca -0.06 0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 3gxi s VAL 404 Cb -0.15 -3.39 0.13 0.00 0.00 0.00 0.00 36.38 32.97 3gxi s VAL 404 CO -0.03 0.35 0.61 -0.62 0.00 0.00 0.00 175.10 175.41 3gxi s ASP 405 N 1.14 6.23 0.00 3.32 -1.08 0.78 -4.00 116.67 123.06 3gxi s ASP 405 Ca 0.07 -1.72 0.14 0.00 -0.52 0.00 0.00 52.55 50.51 3gxi s ASP 405 Cb -0.14 -2.25 0.83 0.00 -1.46 0.00 0.00 42.92 39.90 3gxi s ASP 405 CO 0.05 -0.94 1.36 2.30 0.52 0.00 0.00 175.17 178.45 3gxi n ILE 406 N 5.28 0.00 0.30 4.11 -0.00 -1.26 -2.14 119.36 125.65 3gxi n ILE 406 Ca -0.10 0.00 0.09 0.00 -0.00 0.00 0.00 62.75 62.74 3gxi n ILE 406 Cb 0.42 -0.41 -0.13 0.00 -0.00 0.00 0.00 39.64 39.52 3gxi n ILE 406 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 3gxi n THR 407 N -0.79 0.00 -0.58 7.28 -2.24 -1.26 -4.54 114.28 112.15 3gxi n THR 407 Ca 0.10 -0.29 0.03 0.00 -2.27 0.00 0.00 64.05 61.62 3gxi n THR 407 Cb 0.05 0.42 0.05 0.00 -2.10 0.00 0.00 70.33 68.75 3gxi n THR 407 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3gxi n LYS 408 N -1.87 1.96 -4.40 -0.78 5.02 -0.91 -4.99 118.16 112.19 3gxi n LYS 408 Ca -0.01 -1.74 -0.38 0.00 -2.02 0.00 0.00 58.31 54.16 3gxi n LYS 408 Cb 0.40 -1.09 -0.07 0.00 -0.02 0.00 0.00 35.03 34.24 3gxi n LYS 408 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3gxi n ASP 409 N -0.74 -1.24 -4.22 4.39 2.03 -1.10 -4.95 116.55 110.72 3gxi n ASP 409 Ca 0.05 -1.21 -0.17 0.00 0.52 0.00 0.00 54.79 53.99 3gxi n ASP 409 Cb 0.43 -1.86 -0.11 0.00 -0.72 0.00 0.00 41.12 38.86 3gxi n ASP 409 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3gxi s THR 410 N -3.60 1.22 0.10 5.18 -4.23 -1.05 -3.82 115.64 109.44 3gxi s THR 410 Ca 0.56 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 59.44 3gxi s THR 410 Cb -0.32 -1.46 -0.03 0.00 1.34 0.00 0.00 72.50 72.03 3gxi s THR 410 CO 1.00 -0.44 -0.11 0.72 -0.54 0.00 0.00 174.62 175.25 3gxi s PHE 411 N -2.16 1.13 -0.13 3.99 -0.12 -0.28 -0.16 117.98 120.26 3gxi s PHE 411 Ca 0.07 -0.60 0.03 0.00 -0.05 0.00 0.00 56.93 56.38 3gxi s PHE 411 Cb -0.05 -0.62 0.01 0.00 -0.63 0.00 0.00 43.02 41.73 3gxi s PHE 411 CO 0.02 0.03 -0.22 0.71 -0.05 0.00 0.00 175.22 175.71 3gxi s TYR 412 N -2.20 2.65 -0.39 3.49 1.51 0.11 -0.78 117.35 121.75 3gxi s TYR 412 Ca 0.05 -1.25 -0.18 0.00 -1.01 0.00 0.00 57.07 54.68 3gxi s TYR 412 Cb -0.04 -1.79 0.01 0.00 -0.11 0.00 0.00 41.96 40.02 3gxi s TYR 412 CO 0.01 -0.55 0.51 0.15 -1.11 0.00 0.00 175.55 174.56 3gxi s LYS 413 N 0.68 3.41 0.74 -0.62 1.02 -0.13 -1.61 119.74 123.22 3gxi s LYS 413 Ca -0.10 -0.38 -0.11 0.00 0.02 0.00 0.00 55.97 55.40 3gxi s LYS 413 Cb -0.16 -3.88 0.04 0.00 -0.52 0.00 0.00 37.83 33.31 3gxi s LYS 413 CO 0.01 -0.77 1.09 -0.65 -0.92 0.00 0.00 175.35 174.11 3gxi s GLN 414 N 2.39 2.51 0.35 1.68 -1.52 0.01 -1.74 119.66 123.35 3gxi s GLN 414 Ca 0.17 1.15 0.14 0.00 -1.95 0.00 0.00 55.36 54.87 3gxi s GLN 414 Cb -0.16 -1.93 1.00 0.00 -0.22 0.00 0.00 33.01 31.70 3gxi s GLN 414 CO 0.14 -1.45 1.74 -1.35 -0.25 0.00 0.00 175.29 174.12 3gxi h PRO 415 N -0.84 0.47 -0.80 2.91 0.11 -1.78 -1.51 132.00 130.55 3gxi h PRO 415 Ca -0.44 -0.03 0.19 0.00 0.11 0.00 0.00 66.00 65.84 3gxi h PRO 415 Cb 1.23 -0.11 -0.14 0.00 0.11 0.00 0.00 31.00 32.10 3gxi h PRO 415 CO 0.53 0.31 0.09 0.52 -0.21 0.00 0.00 178.00 179.24 3gxi h MET 416 N 0.48 0.14 -0.51 1.05 2.86 -1.86 0.57 114.93 117.66 3gxi h MET 416 Ca 0.64 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 58.36 3gxi h MET 416 Cb 1.40 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.96 3gxi h MET 416 CO -0.41 0.09 0.11 0.35 1.06 0.00 0.00 176.91 178.12 3gxi h PHE 417 N 0.15 0.19 -0.08 -0.22 3.57 -1.46 -0.22 116.94 118.86 3gxi h PHE 417 Ca 0.47 0.03 -0.23 0.00 3.53 0.00 0.00 57.97 61.77 3gxi h PHE 417 Cb 0.87 -0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.62 3gxi h PHE 417 CO -0.36 0.00 -0.84 1.88 -2.23 0.00 0.00 178.31 176.76 3gxi h TYR 418 N 0.25 1.00 -0.93 0.41 -1.99 -1.34 -0.70 116.97 113.67 3gxi h TYR 418 Ca 0.26 -0.49 0.02 0.00 2.00 0.00 0.00 58.73 60.52 3gxi h TYR 418 Cb 0.35 -0.14 -0.05 0.00 2.00 0.00 0.00 36.73 38.89 3gxi h TYR 418 CO -0.22 1.32 0.61 0.45 -0.00 0.00 0.00 178.16 180.31 3gxi h HIS 419 N 0.39 1.15 0.26 4.88 3.86 -0.72 -1.47 115.15 123.51 3gxi h HIS 419 Ca -0.08 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 3gxi h HIS 419 Cb 1.49 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 29.58 3gxi h HIS 419 CO 0.10 0.69 -0.13 -0.07 0.86 0.00 0.00 177.93 179.39 3gxi h LEU 420 N 1.21 -0.30 -2.13 2.43 3.38 -0.99 -3.18 115.31 115.74 3gxi h LEU 420 Ca 0.35 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.33 3gxi h LEU 420 Cb -0.07 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3gxi h LEU 420 CO -0.10 -0.16 0.12 1.23 0.09 0.00 0.00 178.44 179.62 3gxi h GLY 421 N -0.42 0.00 1.94 0.83 0.00 -0.83 -0.14 103.07 104.46 3gxi h GLY 421 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3gxi h GLY 421 CO 0.06 0.00 0.03 0.45 0.00 0.00 0.00 176.54 177.08 3gxi h HIS 422 N 0.00 0.00 0.00 5.60 3.86 -1.25 -1.08 115.15 122.28 3gxi h HIS 422 Ca 0.07 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.13 3gxi h HIS 422 Cb 0.31 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 3gxi h HIS 422 CO 0.00 0.00 -1.39 1.19 0.86 0.00 0.00 177.93 178.59 3gxi n PHE 423 N -2.97 0.00 -0.23 2.45 3.01 -0.37 -4.62 117.46 114.72 3gxi n PHE 423 Ca -0.03 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.46 3gxi n PHE 423 Cb 0.09 -0.56 0.27 0.00 -0.01 0.00 0.00 39.48 39.28 3gxi n PHE 423 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3gxi h SER 424 N -0.79 0.82 0.38 4.37 4.64 -1.02 -1.45 113.55 120.50 3gxi h SER 424 Ca -0.23 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.00 3gxi h SER 424 Cb 1.08 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 3gxi h SER 424 CO -0.14 0.56 -0.36 0.50 -0.87 0.00 0.00 176.83 176.52 3gxi h LYS 425 N 0.95 0.00 -0.01 4.77 3.64 -0.55 -3.33 116.57 122.05 3gxi h LYS 425 Ca 0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 3gxi h LYS 425 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3gxi h LYS 425 CO -0.10 0.36 0.00 1.19 -2.27 0.00 0.00 179.45 178.63 3gxi n PHE 426 N -4.06 0.01 -3.80 1.91 3.01 -0.76 -4.79 117.46 108.98 3gxi n PHE 426 Ca -0.02 -0.06 -0.28 0.00 1.01 0.00 0.00 57.45 58.10 3gxi n PHE 426 Cb 0.40 -0.01 -0.12 0.00 -0.01 0.00 0.00 39.48 39.74 3gxi n PHE 426 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3gxi s ILE 427 N -0.22 2.22 0.81 4.37 1.01 -0.62 -4.93 121.20 123.83 3gxi s ILE 427 Ca 0.02 -3.64 -0.11 0.00 0.00 0.00 0.00 60.65 56.92 3gxi s ILE 427 Cb 0.01 -2.49 0.08 0.00 0.01 0.00 0.00 42.46 40.08 3gxi s ILE 427 CO 0.02 -1.00 1.12 -2.16 0.00 0.00 0.00 174.94 172.92 3gxi s PRO 428 N -0.79 1.87 0.21 2.79 0.04 -1.26 -4.85 135.00 133.01 3gxi s PRO 428 Ca 0.24 1.39 -0.32 0.00 0.04 0.00 0.00 61.00 62.35 3gxi s PRO 428 Cb -0.09 -1.84 -0.15 0.00 0.04 0.00 0.00 34.50 32.47 3gxi s PRO 428 CO -0.12 -1.97 1.24 -1.91 0.04 0.00 0.00 177.00 174.28 3gxi n GLU 429 N -3.57 1.53 -0.11 4.56 2.13 -1.26 -1.93 120.64 121.99 3gxi n GLU 429 Ca 0.11 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.47 3gxi n GLU 429 Cb 0.52 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.14 3gxi n GLU 429 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gxi n GLY 430 N 1.96 1.16 3.68 8.31 0.00 0.67 -4.84 105.19 116.14 3gxi n GLY 430 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3gxi n GLY 430 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gxi n SER 431 N 0.00 1.52 -4.13 1.61 7.64 -0.81 -4.37 113.62 115.08 3gxi n SER 431 Ca 0.00 0.80 -0.28 0.00 1.01 0.00 0.00 58.87 60.40 3gxi n SER 431 Cb 0.00 -1.49 -0.17 0.00 -1.01 0.00 0.00 64.21 61.54 3gxi n SER 431 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3gxi s GLN 432 N -3.19 2.26 0.28 1.43 0.74 -0.00 -0.47 119.66 120.71 3gxi s GLN 432 Ca 0.80 -0.65 -0.29 0.00 0.05 0.00 0.00 55.36 55.27 3gxi s GLN 432 Cb -0.39 -1.81 -0.10 0.00 1.10 0.00 0.00 33.01 31.82 3gxi s GLN 432 CO 0.43 0.15 1.26 0.50 -0.55 0.00 0.00 175.29 177.08 3gxi s ARG 433 N 0.37 4.43 0.36 1.67 3.52 -0.40 -0.55 118.95 128.35 3gxi s ARG 433 Ca -0.13 2.08 0.04 0.00 -0.13 0.00 0.00 55.73 57.58 3gxi s ARG 433 Cb -0.16 -3.13 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 3gxi s ARG 433 CO 0.05 -0.12 0.08 0.14 -0.81 0.00 0.00 175.30 174.65 3gxi s VAL 434 N -0.79 0.96 0.59 7.11 -7.23 -0.61 -0.20 120.40 120.24 3gxi s VAL 434 Ca 0.50 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.49 3gxi s VAL 434 Cb -0.37 -2.60 -0.03 0.00 0.56 0.00 0.00 36.38 33.93 3gxi s VAL 434 CO 0.46 0.00 1.17 -0.83 -0.31 0.00 0.00 175.10 175.59 3gxi s GLY 435 N -3.54 2.60 -0.24 2.32 0.00 -0.06 -4.38 107.32 104.02 3gxi s GLY 435 Ca 0.31 0.87 -0.02 0.00 0.00 0.00 0.00 44.72 45.88 3gxi s GLY 435 CO 0.14 1.25 0.32 -2.27 0.00 0.00 0.00 173.10 172.55 3gxi s LEU 436 N -4.14 -0.44 -0.23 0.66 2.96 -1.26 -1.18 118.68 115.06 3gxi s LEU 436 Ca 0.74 -0.08 -0.10 0.00 -0.22 0.00 0.00 54.13 54.48 3gxi s LEU 436 Cb -0.27 0.82 -0.05 0.00 0.50 0.00 0.00 46.19 47.19 3gxi s LEU 436 CO 0.33 -0.32 0.14 -0.69 -1.32 0.00 0.00 176.35 174.48 3gxi s VAL 437 N 2.46 5.23 0.02 1.68 1.01 0.55 -4.83 120.40 126.52 3gxi s VAL 437 Ca 0.10 0.13 -0.27 0.00 0.00 0.00 0.00 61.98 61.95 3gxi s VAL 437 Cb -0.15 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3gxi s VAL 437 CO -0.18 0.37 0.84 0.00 0.00 0.00 0.00 175.10 176.13 3gxi s ALA 438 N 0.92 3.29 -0.27 5.51 0.00 -1.26 -0.45 121.76 129.50 3gxi s ALA 438 Ca 0.07 0.36 0.28 0.00 0.00 0.00 0.00 51.96 52.67 3gxi s ALA 438 Cb -0.13 -3.12 1.01 0.00 0.00 0.00 0.00 23.12 20.88 3gxi s ALA 438 CO 0.03 -0.06 1.82 0.66 0.00 0.00 0.00 175.76 178.20 3gxi h SER 439 N 6.18 0.00 -4.95 0.00 4.64 -0.90 -3.46 113.55 115.06 3gxi h SER 439 Ca -0.42 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.93 3gxi h SER 439 Cb 1.21 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.19 3gxi h SER 439 CO 0.73 0.00 0.29 0.00 -0.87 0.00 0.00 176.83 176.98 3gxi s GLN 440 N -3.42 1.27 0.43 4.77 -2.07 -1.26 -4.98 119.66 114.40 3gxi s GLN 440 Ca 0.04 -0.54 -0.26 0.00 -1.82 0.00 0.00 55.36 52.79 3gxi s GLN 440 Cb 0.09 0.54 -0.09 0.00 -1.09 0.00 0.00 33.01 32.45 3gxi s GLN 440 CO 0.53 -0.56 1.38 1.17 -1.32 0.00 0.00 175.29 176.49 3gxi n LYS 441 N -0.37 2.20 -3.86 9.60 4.81 -1.26 -4.98 118.16 124.30 3gxi n LYS 441 Ca -0.13 0.78 -0.08 0.00 -0.87 0.00 0.00 58.31 58.01 3gxi n LYS 441 Cb 0.63 -2.54 -0.00 0.00 0.02 0.00 0.00 35.03 33.14 3gxi n LYS 441 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3gxi s ASN 442 N -0.44 -0.05 0.00 3.14 2.20 -1.26 -5.07 114.94 113.46 3gxi s ASN 442 Ca 0.60 -0.94 0.13 0.00 -0.94 0.00 0.00 52.86 51.71 3gxi s ASN 442 Cb -0.48 0.78 0.08 0.00 -2.00 0.00 0.00 41.25 39.63 3gxi s ASN 442 CO 0.59 -1.50 0.88 -0.90 -2.94 0.00 0.00 177.10 173.22 3gxi n ASP 443 N -0.97 1.95 -4.82 3.54 5.68 -1.26 -5.00 116.55 115.67 3gxi n ASP 443 Ca -0.06 -1.48 -0.33 0.00 -0.50 0.00 0.00 54.79 52.43 3gxi n ASP 443 Cb 0.60 0.10 -0.04 0.00 -1.14 0.00 0.00 41.12 40.64 3gxi n ASP 443 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3gxi s LEU 444 N -1.26 3.79 -0.22 -2.12 1.43 -1.26 -4.65 118.68 114.39 3gxi s LEU 444 Ca 0.14 1.72 -0.08 0.00 -1.03 0.00 0.00 54.13 54.88 3gxi s LEU 444 Cb 0.11 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 3gxi s LEU 444 CO 0.20 -0.59 0.09 -1.81 0.23 0.00 0.00 176.35 174.47 3gxi s ASP 445 N -2.45 5.59 0.01 2.29 1.01 -0.15 -4.96 116.67 118.03 3gxi s ASP 445 Ca 0.62 -0.01 -0.02 0.00 0.71 0.00 0.00 52.55 53.86 3gxi s ASP 445 Cb -0.11 -1.99 -0.01 0.00 1.01 0.00 0.00 42.92 41.81 3gxi s ASP 445 CO 0.22 0.07 0.01 0.00 0.21 0.00 0.00 175.17 175.68 3gxi s ALA 446 N 0.99 0.01 -0.05 5.23 0.00 -1.26 0.01 121.76 126.69 3gxi s ALA 446 Ca 0.05 -0.43 -0.13 0.00 0.00 0.00 0.00 51.96 51.45 3gxi s ALA 446 Cb -0.14 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.13 3gxi s ALA 446 CO 0.03 -0.16 0.30 0.54 0.00 0.00 0.00 175.76 176.48 3gxi s VAL 447 N -1.32 0.04 -0.02 0.00 0.11 -0.83 -5.01 120.40 113.37 3gxi s VAL 447 Ca -0.14 -0.31 0.08 0.00 -2.93 0.00 0.00 61.98 58.67 3gxi s VAL 447 Cb -0.09 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 3gxi s VAL 447 CO -0.00 -0.17 -0.26 0.00 -3.33 0.00 0.00 175.10 171.34 3gxi s ALA 448 N -0.78 2.14 0.16 1.54 0.00 -1.26 -1.46 121.76 122.11 3gxi s ALA 448 Ca -0.09 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 50.80 3gxi s ALA 448 Cb -0.04 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 3gxi s ALA 448 CO 0.03 0.52 -0.04 -0.51 0.00 0.00 0.00 175.76 175.75 3gxi s LEU 449 N -0.57 2.32 -0.14 0.00 1.02 0.35 -1.57 118.68 120.09 3gxi s LEU 449 Ca 0.09 -1.10 0.02 0.00 0.02 0.00 0.00 54.13 53.16 3gxi s LEU 449 Cb -0.10 -0.18 0.01 0.00 0.02 0.00 0.00 46.19 45.94 3gxi s LEU 449 CO -0.01 -0.47 -0.21 -0.32 0.02 0.00 0.00 176.35 175.36 3gxi s MET 450 N -3.84 3.05 0.89 1.70 1.75 0.29 -1.23 119.30 121.91 3gxi s MET 450 Ca 0.20 -0.84 -0.11 0.00 -1.25 0.00 0.00 55.69 53.70 3gxi s MET 450 Cb 0.05 -2.46 0.13 0.00 2.84 0.00 0.00 34.83 35.38 3gxi s MET 450 CO 0.02 -0.01 1.16 -1.01 -0.65 0.00 0.00 175.02 174.54 3gxi s HIS 451 N 0.81 1.66 0.37 4.11 3.76 -0.01 -0.82 115.29 125.17 3gxi s HIS 451 Ca -0.07 1.77 0.15 0.00 -0.15 0.00 0.00 55.06 56.75 3gxi s HIS 451 Cb -0.15 -3.38 1.01 0.00 1.11 0.00 0.00 32.58 31.16 3gxi s HIS 451 CO -0.02 -2.83 1.76 -1.35 -0.85 0.00 0.00 174.74 171.45 3gxi h PRO 452 N -1.63 0.47 0.00 8.40 0.11 -1.88 -0.62 132.00 136.85 3gxi h PRO 452 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gxi h PRO 452 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3gxi h PRO 452 CO 0.43 0.31 0.00 -0.40 -0.21 0.00 0.00 178.00 178.13 3gxi n ASP 453 N -4.72 0.00 0.00 -2.05 5.68 -1.26 -4.89 116.55 109.31 3gxi n ASP 453 Ca 0.26 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 3gxi n ASP 453 Cb 0.81 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.79 3gxi n ASP 453 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gxi n GLY 454 N 0.75 0.84 3.84 6.12 0.00 -0.24 -5.05 105.19 111.46 3gxi n GLY 454 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3gxi n GLY 454 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gxi s SER 455 N -2.85 6.28 0.13 1.61 1.04 -1.26 -4.53 113.70 114.12 3gxi s SER 455 Ca 0.00 1.56 -0.06 0.00 0.48 0.00 0.00 55.95 57.93 3gxi s SER 455 Cb 0.00 -2.50 -0.06 0.00 0.10 0.00 0.00 66.02 63.57 3gxi s SER 455 CO 0.00 -0.83 0.39 0.00 0.98 0.00 0.00 173.24 173.78 3gxi s ALA 456 N -2.82 3.77 -0.03 5.32 0.00 0.37 -0.83 121.76 127.54 3gxi s ALA 456 Ca 0.58 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.04 3gxi s ALA 456 Cb -0.11 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 20.86 3gxi s ALA 456 CO 0.41 0.64 -0.02 0.54 0.00 0.00 0.00 175.76 177.34 3gxi s VAL 457 N -1.61 0.29 -0.06 0.00 0.11 -0.36 -1.66 120.40 117.12 3gxi s VAL 457 Ca 0.39 -0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.44 3gxi s VAL 457 Cb -0.12 -0.34 0.02 0.00 -1.53 0.00 0.00 36.38 34.41 3gxi s VAL 457 CO 0.23 0.15 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.40 3gxi s VAL 458 N 0.77 0.70 -0.12 2.04 1.01 0.04 -0.50 120.40 124.34 3gxi s VAL 458 Ca -0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 3gxi s VAL 458 Cb -0.12 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 3gxi s VAL 458 CO -0.01 0.27 0.01 -0.69 0.00 0.00 0.00 175.10 174.68 3gxi s VAL 459 N 0.97 4.34 -0.13 2.92 1.01 -0.53 -0.27 120.40 128.71 3gxi s VAL 459 Ca -0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 3gxi s VAL 459 Cb -0.14 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.40 3gxi s VAL 459 CO 0.00 0.55 -0.06 -0.69 0.00 0.00 0.00 175.10 174.90 3gxi s VAL 460 N -0.38 1.04 -0.15 2.92 1.01 -0.52 -1.95 120.40 122.36 3gxi s VAL 460 Ca 0.07 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 3gxi s VAL 460 Cb -0.12 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 3gxi s VAL 460 CO 0.02 0.27 -0.09 -0.22 0.00 0.00 0.00 175.10 175.08 3gxi s LEU 461 N 1.69 2.92 -0.42 3.92 2.96 0.10 -1.06 118.68 128.79 3gxi s LEU 461 Ca 0.03 -0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 53.62 3gxi s LEU 461 Cb -0.14 -1.69 0.11 0.00 0.50 0.00 0.00 46.19 44.97 3gxi s LEU 461 CO -0.08 0.14 0.23 0.21 -1.32 0.00 0.00 176.35 175.53 3gxi s ASN 462 N 0.53 5.37 0.00 3.68 3.84 -0.47 -0.97 114.94 126.91 3gxi s ASN 462 Ca -0.06 -1.91 0.17 0.00 0.21 0.00 0.00 52.86 51.27 3gxi s ASN 462 Cb -0.15 -1.88 0.75 0.00 -0.55 0.00 0.00 41.25 39.43 3gxi s ASN 462 CO 0.03 -0.56 1.52 0.54 -2.79 0.00 0.00 177.10 175.85 3gxi n ARG 463 N 4.70 1.45 -3.54 0.43 1.74 -1.26 -2.26 116.66 117.92 3gxi n ARG 463 Ca -0.05 -0.68 -0.19 0.00 -0.77 0.00 0.00 57.85 56.16 3gxi n ARG 463 Cb 0.41 -1.32 -0.01 0.00 -1.02 0.00 0.00 32.46 30.53 3gxi n ARG 463 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gxi s SER 464 N -1.46 5.78 0.00 0.55 1.04 -1.26 -4.77 113.70 113.58 3gxi s SER 464 Ca 0.27 -0.28 0.29 0.00 0.48 0.00 0.00 55.95 56.71 3gxi s SER 464 Cb 0.14 -1.14 1.25 0.00 0.10 0.00 0.00 66.02 66.37 3gxi s SER 464 CO 0.21 -0.43 1.93 -1.54 0.98 0.00 0.00 173.24 174.40 3gxi n SER 465 N -1.58 0.00 -4.65 7.02 3.41 -1.26 -0.42 113.62 116.15 3gxi n SER 465 Ca -0.00 0.44 -0.35 0.00 -0.26 0.00 0.00 58.87 58.70 3gxi n SER 465 Cb 0.59 -0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 63.96 3gxi n SER 465 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3gxi s LYS 466 N -2.96 3.38 0.29 4.33 2.20 -1.26 -4.35 119.74 121.37 3gxi s LYS 466 Ca 0.15 -0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 55.07 3gxi s LYS 466 Cb 0.19 -2.94 -0.11 0.00 -1.51 0.00 0.00 37.83 33.46 3gxi s LYS 466 CO 0.51 0.52 1.54 -0.51 -0.36 0.00 0.00 175.35 177.05 3gxi s ASP 467 N -0.36 6.46 -0.24 1.43 1.11 -1.26 -3.65 116.67 120.16 3gxi s ASP 467 Ca 0.08 2.87 0.02 0.00 0.18 0.00 0.00 52.55 55.69 3gxi s ASP 467 Cb -0.12 -2.63 0.05 0.00 1.07 0.00 0.00 42.92 41.28 3gxi s ASP 467 CO 0.02 -0.84 -0.12 -0.69 1.18 0.00 0.00 175.17 174.72 3gxi s VAL 468 N -0.10 2.22 0.37 -1.27 1.01 0.10 -4.90 120.40 117.84 3gxi s VAL 468 Ca 0.61 -1.46 -0.27 0.00 0.00 0.00 0.00 61.98 60.86 3gxi s VAL 468 Cb -0.46 -2.22 -0.10 0.00 0.00 0.00 0.00 36.38 33.60 3gxi s VAL 468 CO 0.48 0.09 1.32 -2.84 0.00 0.00 0.00 175.10 174.15 3gxi s PRO 469 N 1.16 4.16 -0.04 2.72 0.02 -1.26 -0.59 135.00 141.16 3gxi s PRO 469 Ca -0.06 2.22 -0.04 0.00 0.02 0.00 0.00 61.00 63.14 3gxi s PRO 469 Cb -0.18 -2.92 0.01 0.00 0.02 0.00 0.00 34.50 31.43 3gxi s PRO 469 CO -0.06 -0.35 0.12 -1.17 -0.33 0.00 0.00 177.00 175.20 3gxi s LEU 470 N -2.10 1.55 -0.02 -5.54 2.96 -0.55 -3.94 118.68 111.03 3gxi s LEU 470 Ca 0.53 0.24 0.08 0.00 -0.22 0.00 0.00 54.13 54.75 3gxi s LEU 470 Cb -0.40 0.41 -0.02 0.00 0.50 0.00 0.00 46.19 46.68 3gxi s LEU 470 CO 0.52 -0.04 -0.25 -0.89 -1.32 0.00 0.00 176.35 174.37 3gxi s THR 471 N 0.06 2.12 -0.14 3.68 2.01 -0.38 -0.71 115.64 122.27 3gxi s THR 471 Ca -0.00 -1.10 0.01 0.00 0.31 0.00 0.00 61.69 60.91 3gxi s THR 471 Cb -0.01 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.76 3gxi s THR 471 CO 0.00 0.57 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.69 3gxi s ILE 472 N -0.63 2.50 -0.19 1.82 1.01 0.78 -1.14 121.20 125.35 3gxi s ILE 472 Ca 0.10 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 3gxi s ILE 472 Cb -0.10 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 3gxi s ILE 472 CO -0.01 0.53 0.02 -0.75 0.00 0.00 0.00 174.94 174.73 3gxi s LYS 473 N 0.74 3.74 -0.30 2.79 2.20 0.09 -0.28 119.74 128.71 3gxi s LYS 473 Ca -0.07 -0.46 -0.07 0.00 -0.36 0.00 0.00 55.97 55.00 3gxi s LYS 473 Cb -0.16 -3.11 0.01 0.00 -1.51 0.00 0.00 37.83 33.07 3gxi s LYS 473 CO 0.01 0.12 0.09 0.34 -0.36 0.00 0.00 175.35 175.55 3gxi s ASP 474 N 0.74 5.21 0.60 1.43 -1.08 -0.32 -0.24 116.67 123.01 3gxi s ASP 474 Ca 0.01 -0.72 0.29 0.00 -0.52 0.00 0.00 52.55 51.61 3gxi s ASP 474 Cb -0.14 -1.90 1.60 0.00 -1.46 0.00 0.00 42.92 41.02 3gxi s ASP 474 CO 0.02 -0.21 2.00 -0.65 0.52 0.00 0.00 175.17 176.85 3gxi h PRO 475 N 8.25 0.00 0.00 4.34 0.11 -1.83 0.85 132.00 143.71 3gxi h PRO 475 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3gxi h PRO 475 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3gxi h PRO 475 CO 0.61 0.00 -0.51 0.00 -0.21 0.00 0.00 178.00 177.88 3gxi h ALA 476 N 1.58 0.73 0.00 -0.75 0.00 -1.94 -3.42 119.26 115.46 3gxi h ALA 476 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3gxi h ALA 476 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3gxi h ALA 476 CO -0.00 0.00 -0.67 0.28 0.00 0.00 0.00 179.25 178.86 3gxi n VAL 477 N -2.71 0.00 0.00 0.00 0.31 -0.46 -5.02 118.33 110.44 3gxi n VAL 477 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3gxi n VAL 477 Cb 0.52 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 3gxi n VAL 477 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gxi n GLY 478 N 2.73 0.52 3.23 2.92 0.00 0.17 -4.70 105.19 110.05 3gxi n GLY 478 Ca 0.00 -1.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 3gxi n GLY 478 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxi s PHE 479 N -2.89 2.71 -0.42 1.61 0.40 0.13 -1.17 117.98 118.35 3gxi s PHE 479 Ca 0.00 -1.13 -0.16 0.00 -0.60 0.00 0.00 56.93 55.04 3gxi s PHE 479 Cb 0.00 -1.83 0.02 0.00 0.51 0.00 0.00 43.02 41.72 3gxi s PHE 479 CO 0.00 -0.50 0.38 -1.17 0.70 0.00 0.00 175.22 174.62 3gxi s LEU 480 N 0.72 5.01 -0.26 -0.37 0.20 0.61 -0.60 118.68 123.99 3gxi s LEU 480 Ca -0.08 -0.80 -0.16 0.00 0.69 0.00 0.00 54.13 53.78 3gxi s LEU 480 Cb -0.16 -2.28 -0.04 0.00 -0.43 0.00 0.00 46.19 43.29 3gxi s LEU 480 CO 0.01 -0.53 0.41 -1.61 -0.29 0.00 0.00 176.35 174.33 3gxi s GLU 481 N 1.92 4.05 0.29 1.98 0.41 -1.26 -0.16 118.70 125.94 3gxi s GLU 481 Ca 0.09 0.13 -0.01 0.00 -0.41 0.00 0.00 54.97 54.76 3gxi s GLU 481 Cb -0.18 -3.64 0.00 0.00 -1.78 0.00 0.00 34.13 28.54 3gxi s GLU 481 CO 0.12 -0.25 0.39 -2.37 -0.49 0.00 0.00 175.26 172.66 3gxi n THR 482 N 5.00 0.00 -3.91 3.63 5.66 0.11 -5.03 114.28 119.74 3gxi n THR 482 Ca -0.07 -1.56 -0.16 0.00 -3.05 0.00 0.00 64.05 59.20 3gxi n THR 482 Cb 0.51 0.94 -0.16 0.00 -1.55 0.00 0.00 70.33 70.06 3gxi n THR 482 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3gxi s ILE 483 N -2.80 0.13 -0.61 1.09 1.01 -1.26 -1.49 121.20 117.28 3gxi s ILE 483 Ca 0.25 0.09 -0.19 0.00 0.00 0.00 0.00 60.65 60.80 3gxi s ILE 483 Cb -0.01 -0.22 0.10 0.00 0.01 0.00 0.00 42.46 42.35 3gxi s ILE 483 CO 0.18 0.12 0.75 -0.55 0.00 0.00 0.00 174.94 175.44 3gxi s SER 484 N 0.88 6.19 0.72 3.58 0.15 0.24 -4.94 113.70 120.52 3gxi s SER 484 Ca -0.09 -1.39 -0.16 0.00 0.70 0.00 0.00 55.95 55.01 3gxi s SER 484 Cb -0.12 -2.32 0.02 0.00 -1.71 0.00 0.00 66.02 61.89 3gxi s SER 484 CO -0.02 -1.16 1.15 -2.65 1.20 0.00 0.00 173.24 171.76 3gxi n PRO 485 N 6.51 0.64 -1.68 5.44 -0.02 -1.26 -0.72 135.00 143.91 3gxi n PRO 485 Ca -0.08 0.28 -0.40 0.00 -2.02 0.00 0.00 63.50 61.28 3gxi n PRO 485 Cb 0.43 -2.39 0.03 0.00 -0.02 0.00 0.00 33.50 31.55 3gxi n PRO 485 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxi n GLY 486 N 0.88 0.30 3.81 -1.23 0.00 -1.24 -2.80 105.19 104.92 3gxi n GLY 486 Ca 0.14 0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 3gxi n GLY 486 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxi n TYR 487 N -0.81 -1.79 -4.31 1.61 0.53 0.45 -4.78 117.16 108.06 3gxi n TYR 487 Ca 0.10 0.73 -0.16 0.00 -1.02 0.00 0.00 57.90 57.54 3gxi n TYR 487 Cb 0.43 -3.92 -0.10 0.00 -1.03 0.00 0.00 39.34 34.72 3gxi n TYR 487 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 3gxi s SER 488 N -4.21 2.01 -0.03 7.72 1.04 -1.06 -1.32 113.70 117.86 3gxi s SER 488 Ca 0.09 -1.09 0.01 0.00 0.48 0.00 0.00 55.95 55.43 3gxi s SER 488 Cb -0.03 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.07 3gxi s SER 488 CO 0.86 -0.36 -0.02 -0.51 0.98 0.00 0.00 173.24 174.18 3gxi s ILE 489 N -3.27 0.32 0.03 -1.02 2.07 -0.24 -1.37 121.20 117.72 3gxi s ILE 489 Ca 0.22 -0.05 0.08 0.00 -1.41 0.00 0.00 60.65 59.50 3gxi s ILE 489 Cb 0.03 -0.36 -0.03 0.00 0.13 0.00 0.00 42.46 42.24 3gxi s ILE 489 CO 0.05 0.15 -0.25 -1.00 -1.91 0.00 0.00 174.94 171.99 3gxi s HIS 490 N 0.66 2.17 -0.18 3.50 3.76 -0.23 -1.40 115.29 123.58 3gxi s HIS 490 Ca -0.07 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.44 3gxi s HIS 490 Cb -0.11 -1.32 0.02 0.00 1.11 0.00 0.00 32.58 32.28 3gxi s HIS 490 CO -0.01 0.08 -0.20 0.99 -0.85 0.00 0.00 174.74 174.75 3gxi s THR 491 N -0.75 2.06 -0.13 1.30 2.01 0.66 -1.44 115.64 119.34 3gxi s THR 491 Ca 0.10 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 61.09 3gxi s THR 491 Cb -0.10 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 3gxi s THR 491 CO 0.01 0.54 0.14 -0.31 -0.69 0.00 0.00 174.62 174.31 3gxi s TYR 492 N 1.28 3.57 0.00 4.92 1.51 0.63 -0.94 117.35 128.32 3gxi s TYR 492 Ca 0.05 0.50 0.02 0.00 -1.01 0.00 0.00 57.07 56.63 3gxi s TYR 492 Cb -0.13 -1.97 -0.01 0.00 -0.11 0.00 0.00 41.96 39.74 3gxi s TYR 492 CO -0.13 0.67 -0.08 -0.51 -1.11 0.00 0.00 175.55 174.40 3gxi s LEU 493 N -0.83 2.05 -0.04 -1.29 1.02 -0.01 -0.78 118.68 118.79 3gxi s LEU 493 Ca 0.14 -0.19 -0.28 0.00 0.02 0.00 0.00 54.13 53.83 3gxi s LEU 493 Cb -0.12 -0.36 0.06 0.00 0.02 0.00 0.00 46.19 45.79 3gxi s LEU 493 CO 0.03 0.06 0.60 -1.66 0.02 0.00 0.00 176.35 175.40 3gxi s TRP 494 N -0.32 -0.56 0.42 0.29 -2.14 -0.66 -1.17 118.94 114.80 3gxi s TRP 494 Ca 0.02 0.95 -0.24 0.00 2.66 0.00 0.00 56.10 59.49 3gxi s TRP 494 Cb -0.04 0.34 -0.08 0.00 -3.10 0.00 0.00 33.47 30.59 3gxi s TRP 494 CO -0.00 -0.56 1.15 -1.01 -2.66 0.00 0.00 176.95 173.87 3gxi s HIS 495 N -1.21 3.04 -1.42 1.66 3.76 -1.26 -0.48 115.29 119.38 3gxi s HIS 495 Ca -0.11 1.56 0.16 0.00 -0.15 0.00 0.00 55.06 56.51 3gxi s HIS 495 Cb -0.01 -3.36 -0.00 0.00 1.11 0.00 0.00 32.58 30.32 3gxi s HIS 495 CO 0.09 -1.29 0.83 0.54 -0.85 0.00 0.00 174.74 174.06 3gxi n ARG 496 N -0.11 1.71 0.00 1.40 1.74 -1.26 -4.64 116.66 115.50 3gxi n ARG 496 Ca 0.05 -0.79 0.00 0.00 -0.77 0.00 0.00 57.85 56.34 3gxi n ARG 496 Cb 0.47 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 3gxi n ARG 496 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11