#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxd n ARG 2 N 0.00 1.21 -1.99 0.00 1.74 -1.26 -4.60 116.66 111.75 3gxd n ARG 2 Ca 0.00 0.44 -0.28 0.00 -0.77 0.00 0.00 57.85 57.24 3gxd n ARG 2 Cb 0.00 -2.01 0.08 0.00 -1.02 0.00 0.00 32.46 29.51 3gxd n ARG 2 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3gxd s PRO 3 N -2.09 2.06 0.57 5.56 0.04 -1.26 -1.33 135.00 138.55 3gxd s PRO 3 Ca 0.65 0.01 -0.21 0.00 0.04 0.00 0.00 61.00 61.49 3gxd s PRO 3 Cb -0.54 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 3gxd s PRO 3 CO 0.55 -1.47 1.34 0.00 0.04 0.00 0.00 177.00 177.47 3gxd s ILE 5 N -1.32 2.81 0.18 0.00 1.01 -1.26 -5.01 121.20 117.60 3gxd s ILE 5 Ca 0.74 -1.37 -0.29 0.00 0.00 0.00 0.00 60.65 59.73 3gxd s ILE 5 Cb -0.40 -2.59 -0.08 0.00 0.01 0.00 0.00 42.46 39.41 3gxd s ILE 5 CO 0.46 -0.04 0.91 -2.16 0.00 0.00 0.00 174.94 174.11 3gxd s PRO 6 N 1.24 4.74 -0.01 2.79 0.04 -1.26 0.42 135.00 142.96 3gxd s PRO 6 Ca -0.05 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.39 3gxd s PRO 6 Cb -0.19 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.04 3gxd s PRO 6 CO -0.02 0.42 -0.02 0.21 0.04 0.00 0.00 177.00 177.63 3gxd s LYS 7 N -0.75 0.30 -0.09 4.56 2.20 -0.94 -4.93 119.74 120.09 3gxd s LYS 7 Ca 0.42 -0.05 -0.13 0.00 -0.36 0.00 0.00 55.97 55.84 3gxd s LYS 7 Cb -0.24 -0.35 -0.05 0.00 -1.51 0.00 0.00 37.83 35.68 3gxd s LYS 7 CO 0.30 -0.00 0.32 0.45 -0.36 0.00 0.00 175.35 176.05 3gxd s SER 8 N 0.33 6.59 -0.16 1.43 0.15 -1.26 -1.24 113.70 119.54 3gxd s SER 8 Ca -0.03 0.70 0.16 0.00 0.70 0.00 0.00 55.95 57.48 3gxd s SER 8 Cb -0.06 -2.19 0.49 0.00 -1.71 0.00 0.00 66.02 62.54 3gxd s SER 8 CO -0.01 0.24 1.38 0.49 1.20 0.00 0.00 173.24 176.54 3gxd n PHE 9 N 2.59 0.81 -0.33 3.44 3.01 -1.26 -4.93 117.46 120.79 3gxd n PHE 9 Ca -0.14 -0.85 0.00 0.00 1.01 0.00 0.00 57.45 57.47 3gxd n PHE 9 Cb 0.53 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 3gxd n PHE 9 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gxd n GLY 10 N -0.51 0.78 1.31 1.37 0.00 -1.26 -4.93 105.19 101.95 3gxd n GLY 10 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 3gxd n GLY 10 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxd n TYR 11 N -2.23 -1.36 0.30 1.61 0.53 -1.26 -4.99 117.16 109.76 3gxd n TYR 11 Ca 0.00 -0.79 0.19 0.00 -1.02 0.00 0.00 57.90 56.27 3gxd n TYR 11 Cb 0.00 -0.16 0.97 0.00 -1.03 0.00 0.00 39.34 39.12 3gxd n TYR 11 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 3gxd h SER 12 N 0.21 0.00 -3.72 7.72 4.64 -1.91 -3.44 113.55 117.05 3gxd h SER 12 Ca -0.12 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.93 3gxd h SER 12 Cb 0.44 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.46 3gxd h SER 12 CO 0.18 0.00 -0.20 -0.24 -0.87 0.00 0.00 176.83 175.71 3gxd n SER 13 N -3.17 -0.91 -4.95 4.97 2.88 0.15 -4.80 113.62 107.79 3gxd n SER 13 Ca -0.01 -2.56 -0.20 0.00 -1.33 0.00 0.00 58.87 54.76 3gxd n SER 13 Cb 0.26 1.78 -0.02 0.00 -0.75 0.00 0.00 64.21 65.49 3gxd n SER 13 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3gxd s VAL 14 N -2.84 4.11 0.39 2.46 -7.23 -1.26 -4.39 120.40 111.65 3gxd s VAL 14 Ca 0.26 -1.10 0.08 0.00 -1.81 0.00 0.00 61.98 59.40 3gxd s VAL 14 Cb -0.00 -3.41 -0.03 0.00 0.56 0.00 0.00 36.38 33.50 3gxd s VAL 14 CO 0.18 -0.19 0.32 0.68 -0.31 0.00 0.00 175.10 175.78 3gxd s VAL 15 N -2.18 2.88 -0.22 1.32 -7.23 -0.37 -4.52 120.40 110.08 3gxd s VAL 15 Ca 0.42 -1.41 -0.08 0.00 -1.81 0.00 0.00 61.98 59.11 3gxd s VAL 15 Cb -0.09 -3.04 -0.04 0.00 0.56 0.00 0.00 36.38 33.77 3gxd s VAL 15 CO 0.30 -0.06 0.08 0.00 -0.31 0.00 0.00 175.10 175.11 3gxd s VAL 17 N 1.10 4.91 0.36 0.00 1.01 0.17 -1.13 120.40 126.82 3gxd s VAL 17 Ca 0.05 1.40 0.08 0.00 0.00 0.00 0.00 61.98 63.50 3gxd s VAL 17 Cb -0.14 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 3gxd s VAL 17 CO 0.03 -0.00 0.18 0.00 0.00 0.00 0.00 175.10 175.31 3gxd n ASN 19 N -1.22 0.00 0.18 0.00 0.23 -0.52 -1.74 115.26 112.20 3gxd n ASN 19 Ca -0.02 -0.60 0.04 0.00 -0.53 0.00 0.00 54.58 53.48 3gxd n ASN 19 Cb 0.62 0.00 0.47 0.00 -2.08 0.00 0.00 39.78 38.79 3gxd n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gxd h ALA 20 N 1.83 1.65 -0.00 -2.53 0.00 -1.91 -3.17 119.26 115.13 3gxd h ALA 20 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3gxd h ALA 20 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3gxd h ALA 20 CO 0.00 0.26 -0.10 0.25 0.00 0.00 0.00 179.25 179.66 3gxd n THR 21 N -4.32 0.00 -3.68 0.00 -2.24 -1.26 -4.08 114.28 98.70 3gxd n THR 21 Ca -0.02 -0.45 -0.18 0.00 -2.27 0.00 0.00 64.05 61.13 3gxd n THR 21 Cb 0.24 1.06 -0.17 0.00 -2.10 0.00 0.00 70.33 69.36 3gxd n THR 21 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3gxd s TYR 22 N -0.91 -0.04 -0.01 4.78 5.04 -1.20 -5.12 117.35 119.88 3gxd s TYR 22 Ca 0.04 0.39 0.02 0.00 -2.44 0.00 0.00 57.07 55.09 3gxd s TYR 22 Cb 0.04 -0.36 0.00 0.00 0.35 0.00 0.00 41.96 41.99 3gxd s TYR 22 CO 0.13 -0.21 -0.06 0.00 -1.34 0.00 0.00 175.55 174.06 3gxd s ASP 24 N 0.08 6.06 0.38 0.00 -4.77 -1.26 -4.71 116.67 112.44 3gxd s ASP 24 Ca -0.01 2.63 -0.10 0.00 -3.30 0.00 0.00 52.55 51.77 3gxd s ASP 24 Cb -0.05 -2.63 0.04 0.00 -1.09 0.00 0.00 42.92 39.18 3gxd s ASP 24 CO -0.00 -1.02 0.68 -0.94 0.70 0.00 0.00 175.17 174.59 3gxd s SER 25 N -0.88 0.41 0.08 2.11 1.04 -0.44 -4.96 113.70 111.05 3gxd s SER 25 Ca 0.61 -1.32 0.08 0.00 0.48 0.00 0.00 55.95 55.79 3gxd s SER 25 Cb -0.37 0.80 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 3gxd s SER 25 CO 0.47 -1.58 -0.17 -0.36 0.98 0.00 0.00 173.24 172.58 3gxd s PHE 26 N -2.44 2.58 0.67 5.02 0.40 -0.65 -4.20 117.98 119.36 3gxd s PHE 26 Ca 0.21 -0.24 -0.17 0.00 -0.60 0.00 0.00 56.93 56.13 3gxd s PHE 26 Cb -0.03 -1.41 -0.00 0.00 0.51 0.00 0.00 43.02 42.08 3gxd s PHE 26 CO 0.15 0.33 1.18 -0.25 0.70 0.00 0.00 175.22 177.34 3gxd n ASP 27 N 1.13 1.52 -4.61 1.36 8.00 -1.26 -4.58 116.55 118.11 3gxd n ASP 27 Ca -0.16 0.77 -0.47 0.00 0.71 0.00 0.00 54.79 55.64 3gxd n ASP 27 Cb 0.52 -1.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.09 3gxd n ASP 27 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3gxd n PRO 28 N -1.93 1.43 -1.65 -0.24 -0.04 -1.26 -4.79 135.00 126.51 3gxd n PRO 28 Ca 0.15 0.51 -0.37 0.00 -0.04 0.00 0.00 63.50 63.74 3gxd n PRO 28 Cb 0.48 -2.03 0.06 0.00 -0.04 0.00 0.00 33.50 31.97 3gxd n PRO 28 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3gxd n PRO 29 N 1.71 0.96 -3.78 0.54 -0.04 -1.26 -5.04 135.00 128.09 3gxd n PRO 29 Ca 0.13 0.38 -0.13 0.00 -0.04 0.00 0.00 63.50 63.84 3gxd n PRO 29 Cb 0.27 -2.29 -0.09 0.00 -0.04 0.00 0.00 33.50 31.35 3gxd n PRO 29 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3gxd s THR 30 N -1.47 0.05 0.29 0.52 -4.23 -1.26 -5.16 115.64 104.38 3gxd s THR 30 Ca 0.78 -0.43 -0.24 0.00 -1.18 0.00 0.00 61.69 60.62 3gxd s THR 30 Cb -0.40 -0.56 -0.09 0.00 1.34 0.00 0.00 72.50 72.78 3gxd s THR 30 CO 0.45 -0.24 0.88 0.72 -0.54 0.00 0.00 174.62 175.89 3gxd s PHE 31 N -1.11 3.68 0.56 3.99 -0.71 -1.26 -5.04 117.98 118.09 3gxd s PHE 31 Ca -0.12 1.67 -0.19 0.00 -1.04 0.00 0.00 56.93 57.25 3gxd s PHE 31 Cb -0.05 -2.83 -0.05 0.00 -1.21 0.00 0.00 43.02 38.88 3gxd s PHE 31 CO 0.03 0.25 1.12 -1.25 -1.34 0.00 0.00 175.22 174.03 3gxd s PRO 32 N -2.01 3.31 0.55 1.99 0.04 -1.26 -5.01 135.00 132.61 3gxd s PRO 32 Ca 0.48 1.54 -0.20 0.00 0.04 0.00 0.00 61.00 62.86 3gxd s PRO 32 Cb -0.18 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 3gxd s PRO 32 CO 0.23 -0.87 1.24 0.00 0.04 0.00 0.00 177.00 177.64 3gxd s ALA 33 N -1.90 2.70 0.24 8.56 0.00 -1.26 -4.49 121.76 125.61 3gxd s ALA 33 Ca 0.71 1.09 -0.31 0.00 0.00 0.00 0.00 51.96 53.45 3gxd s ALA 33 Cb -0.22 -3.47 -0.12 0.00 0.00 0.00 0.00 23.12 19.30 3gxd s ALA 33 CO 0.29 -1.14 1.59 -0.11 0.00 0.00 0.00 175.76 176.39 3gxd n LEU 34 N -1.22 3.83 0.00 0.00 7.94 -1.26 -1.66 117.00 124.63 3gxd n LEU 34 Ca 0.12 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 3gxd n LEU 34 Cb 0.48 -1.53 0.00 0.00 0.53 0.00 0.00 43.42 42.90 3gxd n LEU 34 CO 0.47 -0.03 0.00 0.61 -1.11 0.00 0.00 177.39 177.33 3gxd n GLY 35 N 2.79 2.80 3.47 -3.96 0.00 -1.26 -5.08 105.19 103.95 3gxd n GLY 35 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3gxd n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gxd s THR 36 N -2.57 2.81 0.20 2.61 -4.23 -0.67 -0.28 115.64 113.51 3gxd s THR 36 Ca 0.00 -1.35 0.06 0.00 -1.18 0.00 0.00 61.69 59.22 3gxd s THR 36 Cb 0.00 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.57 3gxd s THR 36 CO 0.00 0.21 0.13 0.72 -0.54 0.00 0.00 174.62 175.15 3gxd s PHE 37 N -1.04 3.07 0.03 3.99 -0.12 -0.49 -4.45 117.98 118.97 3gxd s PHE 37 Ca 0.16 -0.08 0.03 0.00 -0.05 0.00 0.00 56.93 56.99 3gxd s PHE 37 Cb -0.11 -1.44 -0.04 0.00 -0.63 0.00 0.00 43.02 40.81 3gxd s PHE 37 CO 0.08 0.53 -0.00 -1.12 -0.05 0.00 0.00 175.22 174.65 3gxd s SER 38 N -3.39 5.06 -0.04 1.98 0.01 0.69 -1.28 113.70 116.73 3gxd s SER 38 Ca 0.31 -0.07 -0.00 0.00 1.31 0.00 0.00 55.95 57.50 3gxd s SER 38 Cb -0.09 -1.28 0.03 0.00 0.21 0.00 0.00 66.02 64.89 3gxd s SER 38 CO 0.23 0.25 -0.00 -0.60 0.41 0.00 0.00 173.24 173.52 3gxd s ARG 39 N -1.80 0.46 -0.15 12.44 3.52 1.00 -1.25 118.95 133.17 3gxd s ARG 39 Ca 0.21 0.07 -0.07 0.00 -0.13 0.00 0.00 55.73 55.82 3gxd s ARG 39 Cb -0.12 -0.68 -0.04 0.00 -1.56 0.00 0.00 34.95 32.55 3gxd s ARG 39 CO 0.13 -0.18 0.08 0.71 -0.81 0.00 0.00 175.30 175.23 3gxd s TYR 40 N 1.33 3.36 0.04 5.12 1.51 -0.42 -1.23 117.35 127.07 3gxd s TYR 40 Ca -0.05 0.27 0.06 0.00 -1.01 0.00 0.00 57.07 56.33 3gxd s TYR 40 Cb -0.13 -1.99 -0.02 0.00 -0.11 0.00 0.00 41.96 39.70 3gxd s TYR 40 CO -0.02 0.41 -0.16 -2.00 -1.11 0.00 0.00 175.55 172.67 3gxd s GLU 41 N -0.29 1.04 -0.02 -0.62 2.12 -0.96 -1.50 118.70 118.48 3gxd s GLU 41 Ca 0.09 -0.83 -0.00 0.00 0.36 0.00 0.00 54.97 54.59 3gxd s GLU 41 Cb -0.12 -1.09 0.03 0.00 0.26 0.00 0.00 34.13 33.21 3gxd s GLU 41 CO 0.01 0.27 0.03 -1.12 -0.54 0.00 0.00 175.26 173.92 3gxd s SER 42 N -1.21 0.04 0.12 -1.70 0.01 -0.87 0.11 113.70 110.20 3gxd s SER 42 Ca 0.03 0.05 0.06 0.00 1.31 0.00 0.00 55.95 57.40 3gxd s SER 42 Cb -0.08 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 3gxd s SER 42 CO 0.02 -0.11 -0.14 0.42 0.41 0.00 0.00 173.24 173.84 3gxd s THR 43 N 0.89 1.30 0.17 1.44 -4.23 -0.55 -1.48 115.64 113.18 3gxd s THR 43 Ca -0.07 -1.68 -0.28 0.00 -1.18 0.00 0.00 61.69 58.48 3gxd s THR 43 Cb -0.11 -1.49 -0.00 0.00 1.34 0.00 0.00 72.50 72.24 3gxd s THR 43 CO -0.03 -0.40 1.55 -0.09 -0.54 0.00 0.00 174.62 175.11 3gxd h ARG 44 N 3.59 -0.11 -0.29 3.99 2.43 -1.83 -1.21 114.38 120.95 3gxd h ARG 44 Ca -0.40 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 58.86 3gxd h ARG 44 Cb 1.19 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 3gxd h ARG 44 CO 0.50 -0.07 0.45 0.66 -1.51 0.00 0.00 179.97 179.99 3gxd h SER 45 N -0.11 0.00 0.00 -3.80 4.64 -1.88 -3.42 113.55 108.99 3gxd h SER 45 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3gxd h SER 45 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3gxd h SER 45 CO -0.85 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.72 3gxd n GLY 46 N -1.41 -0.83 3.75 -0.77 0.00 -0.46 -4.97 105.19 100.50 3gxd n GLY 46 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3gxd n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gxd s ARG 47 N 0.00 4.62 -0.23 1.61 0.52 -1.19 -4.82 118.95 119.46 3gxd s ARG 47 Ca 0.00 1.79 -0.01 0.00 -0.52 0.00 0.00 55.73 56.99 3gxd s ARG 47 Cb 0.00 -3.21 0.07 0.00 0.52 0.00 0.00 34.95 32.32 3gxd s ARG 47 CO 0.00 0.16 0.01 1.03 0.02 0.00 0.00 175.30 176.53 3gxd s ARG 48 N -1.10 1.00 -1.72 3.54 1.81 -1.26 -1.48 118.95 119.75 3gxd s ARG 48 Ca 0.46 -0.73 -0.18 0.00 -1.72 0.00 0.00 55.73 53.57 3gxd s ARG 48 Cb -0.31 -2.27 0.18 0.00 -0.45 0.00 0.00 34.95 32.09 3gxd s ARG 48 CO 0.39 -0.68 0.44 -1.33 -0.68 0.00 0.00 175.30 173.45 3gxd n MET 49 N 4.88 -0.77 -1.91 3.54 2.81 0.12 -4.89 117.12 120.90 3gxd n MET 49 Ca -0.09 0.12 -0.42 0.00 -1.81 0.00 0.00 57.70 55.50 3gxd n MET 49 Cb 0.45 -4.23 -0.03 0.00 -0.71 0.00 0.00 33.22 28.71 3gxd n MET 49 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3gxd s GLU 50 N -6.96 4.18 -0.29 0.03 2.02 -0.78 -4.65 118.70 112.25 3gxd s GLU 50 Ca 0.62 2.33 -0.28 0.00 0.02 0.00 0.00 54.97 57.66 3gxd s GLU 50 Cb -0.36 -3.88 0.01 0.00 0.10 0.00 0.00 34.13 30.00 3gxd s GLU 50 CO 0.97 -0.83 1.01 -1.17 0.02 0.00 0.00 175.26 175.26 3gxd s LEU 51 N 3.61 4.01 0.19 1.80 2.96 -1.26 -2.26 118.68 127.74 3gxd s LEU 51 Ca 0.77 1.09 0.07 0.00 -0.22 0.00 0.00 54.13 55.84 3gxd s LEU 51 Cb -0.38 -3.45 -0.05 0.00 0.50 0.00 0.00 46.19 42.81 3gxd s LEU 51 CO 0.33 -0.76 -0.14 -0.94 -1.32 0.00 0.00 176.35 173.52 3gxd s SER 52 N 1.50 2.47 0.07 3.68 1.04 -0.37 -5.00 113.70 117.10 3gxd s SER 52 Ca 0.43 -1.01 0.03 0.00 0.48 0.00 0.00 55.95 55.88 3gxd s SER 52 Cb -0.13 -0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.83 3gxd s SER 52 CO 0.12 -0.18 -0.10 -0.32 0.98 0.00 0.00 173.24 173.73 3gxd s MET 53 N -3.61 0.74 0.37 4.02 1.75 -1.26 -0.00 119.30 121.31 3gxd s MET 53 Ca 0.21 -0.99 -0.06 0.00 -1.25 0.00 0.00 55.69 53.60 3gxd s MET 53 Cb -0.01 -0.52 0.02 0.00 2.84 0.00 0.00 34.83 37.17 3gxd s MET 53 CO 0.06 0.09 0.60 0.41 -0.65 0.00 0.00 175.02 175.53 3gxd n GLY 54 N 1.00 1.72 3.85 2.11 0.00 -0.40 -4.97 105.19 108.49 3gxd n GLY 54 Ca -0.19 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 3gxd n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxd s PRO 55 N -2.59 3.63 -0.58 1.61 0.05 -1.26 -1.40 135.00 134.46 3gxd s PRO 55 Ca 0.25 -0.07 -0.22 0.00 0.05 0.00 0.00 61.00 61.02 3gxd s PRO 55 Cb -0.02 -3.24 0.06 0.00 0.05 0.00 0.00 34.50 31.35 3gxd s PRO 55 CO 0.18 0.68 0.85 0.42 0.05 0.00 0.00 177.00 179.18 3gxd s ILE 56 N -0.78 4.52 0.44 0.56 1.01 0.61 -4.52 121.20 123.04 3gxd s ILE 56 Ca 0.15 -0.25 -0.21 0.00 0.00 0.00 0.00 60.65 60.34 3gxd s ILE 56 Cb -0.12 -4.53 -0.10 0.00 0.01 0.00 0.00 42.46 37.72 3gxd s ILE 56 CO 0.04 -1.16 0.99 -1.10 0.00 0.00 0.00 174.94 173.71 3gxd s GLN 57 N 3.55 4.11 0.12 2.79 -0.21 -0.44 -4.74 119.66 124.84 3gxd s GLN 57 Ca 0.22 1.25 0.26 0.00 0.02 0.00 0.00 55.36 57.12 3gxd s GLN 57 Cb -0.17 -2.24 0.80 0.00 1.00 0.00 0.00 33.01 32.40 3gxd s GLN 57 CO 0.13 -0.15 1.69 0.00 -2.12 0.00 0.00 175.29 174.84 3gxd n ALA 58 N -0.60 2.55 -2.42 6.09 0.00 -1.26 -0.33 120.51 124.53 3gxd n ALA 58 Ca 0.07 -0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.10 3gxd n ALA 58 Cb 0.53 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.48 3gxd n ALA 58 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3gxd s ASN 59 N -3.93 3.48 -0.20 0.00 -0.87 -1.26 -4.79 114.94 107.36 3gxd s ASN 59 Ca 0.11 -0.72 -0.15 0.00 -1.57 0.00 0.00 52.86 50.52 3gxd s ASN 59 Cb 0.15 -0.31 0.06 0.00 -0.02 0.00 0.00 41.25 41.13 3gxd s ASN 59 CO 0.61 0.17 0.52 -2.28 -2.57 0.00 0.00 177.10 173.55 3gxd s HIS 60 N -1.18 -0.68 -0.20 2.20 2.46 -1.26 -4.82 115.29 111.80 3gxd s HIS 60 Ca 0.16 1.51 -0.04 0.00 0.47 0.00 0.00 55.06 57.16 3gxd s HIS 60 Cb -0.10 0.31 -0.02 0.00 -0.13 0.00 0.00 32.58 32.64 3gxd s HIS 60 CO 0.08 -0.35 -0.03 0.95 -2.47 0.00 0.00 174.74 172.92 3gxd s THR 61 N 0.91 3.61 0.10 0.89 -4.23 -1.26 -5.12 115.64 110.54 3gxd s THR 61 Ca -0.05 -0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 3gxd s THR 61 Cb -0.05 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.16 3gxd s THR 61 CO -0.08 0.43 0.00 0.61 -0.54 0.00 0.00 174.62 175.05 3gxd n GLY 62 N 4.45 0.00 2.66 3.99 0.00 -1.26 -4.84 105.19 110.19 3gxd n GLY 62 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 3gxd n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gxd n THR 63 N -1.88 1.48 -0.95 2.61 -2.24 -1.26 -5.13 114.28 106.92 3gxd n THR 63 Ca 0.00 -3.24 -0.21 0.00 -2.27 0.00 0.00 64.05 58.33 3gxd n THR 63 Cb 0.00 0.70 0.17 0.00 -2.10 0.00 0.00 70.33 69.10 3gxd n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gxd n GLY 64 N -0.53 -2.56 3.76 3.38 0.00 -1.26 -4.97 105.19 103.00 3gxd n GLY 64 Ca 0.15 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 3gxd n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gxd s LEU 65 N 0.00 4.42 -0.10 0.99 2.96 -1.26 -4.92 118.68 120.77 3gxd s LEU 65 Ca 0.50 2.64 0.01 0.00 -0.22 0.00 0.00 54.13 57.06 3gxd s LEU 65 Cb -0.05 -3.64 0.02 0.00 0.50 0.00 0.00 46.19 43.03 3gxd s LEU 65 CO 0.38 -0.57 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.50 3gxd s LEU 66 N -1.22 1.53 -0.20 -0.68 2.96 -1.26 -1.61 118.68 118.20 3gxd s LEU 66 Ca 0.52 -0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 54.01 3gxd s LEU 66 Cb -0.40 -0.95 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 3gxd s LEU 66 CO 0.48 -0.03 0.04 -0.76 -1.32 0.00 0.00 176.35 174.77 3gxd s LEU 67 N 1.19 3.52 -0.17 -0.68 1.43 0.02 -0.32 118.68 123.67 3gxd s LEU 67 Ca -0.04 -0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 52.93 3gxd s LEU 67 Cb -0.14 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 3gxd s LEU 67 CO -0.03 0.08 -0.02 -0.89 0.23 0.00 0.00 176.35 175.72 3gxd s THR 68 N 0.90 3.95 0.28 5.49 2.01 0.90 0.05 115.64 129.22 3gxd s THR 68 Ca 0.03 -0.33 -0.29 0.00 0.31 0.00 0.00 61.69 61.41 3gxd s THR 68 Cb -0.14 -2.76 -0.10 0.00 0.01 0.00 0.00 72.50 69.52 3gxd s THR 68 CO 0.02 0.47 1.15 -0.22 -0.69 0.00 0.00 174.62 175.35 3gxd s LEU 69 N 0.59 4.52 -0.65 4.42 2.96 -0.46 -0.34 118.68 129.72 3gxd s LEU 69 Ca -0.02 2.34 0.06 0.00 -0.22 0.00 0.00 54.13 56.29 3gxd s LEU 69 Cb -0.14 -3.63 0.24 0.00 0.50 0.00 0.00 46.19 43.16 3gxd s LEU 69 CO 0.02 -0.24 0.71 0.00 -1.32 0.00 0.00 176.35 175.53 3gxd n GLN 70 N 1.28 2.42 0.11 1.98 6.02 -0.43 -4.74 117.38 124.02 3gxd n GLN 70 Ca -0.00 -4.64 0.04 0.00 -0.01 0.00 0.00 57.00 52.39 3gxd n GLN 70 Cb 0.44 -2.25 0.23 0.00 1.02 0.00 0.00 30.24 29.68 3gxd n GLN 70 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3gxd n PRO 71 N 1.01 0.06 -0.04 -1.09 -0.04 -1.26 -1.10 135.00 132.54 3gxd n PRO 71 Ca 0.28 0.48 -0.16 0.00 -0.04 0.00 0.00 63.50 64.06 3gxd n PRO 71 Cb 0.40 -1.98 -0.13 0.00 -0.04 0.00 0.00 33.50 31.75 3gxd n PRO 71 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3gxd h GLU 72 N 0.00 0.08 -5.46 0.54 4.39 -1.95 -3.44 114.58 108.75 3gxd h GLU 72 Ca 0.00 -0.14 -0.21 0.00 0.34 0.00 0.00 59.36 59.34 3gxd h GLU 72 Cb 0.58 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3gxd h GLU 72 CO 0.00 1.07 0.76 1.04 -1.16 0.00 0.00 179.01 180.72 3gxd n GLN 73 N -4.45 0.78 -1.74 2.33 6.02 -0.26 -5.00 117.38 115.07 3gxd n GLN 73 Ca -0.13 -0.47 -0.32 0.00 -0.01 0.00 0.00 57.00 56.07 3gxd n GLN 73 Cb 0.60 -3.59 0.04 0.00 1.02 0.00 0.00 30.24 28.31 3gxd n GLN 73 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3gxd s LYS 74 N 8.64 2.87 0.00 -1.09 -0.14 -1.26 -2.74 119.74 126.02 3gxd s LYS 74 Ca 0.95 1.26 0.00 0.00 -1.36 0.00 0.00 55.97 56.83 3gxd s LYS 74 Cb -0.15 -1.97 0.00 0.00 -1.68 0.00 0.00 37.83 34.03 3gxd s LYS 74 CO 0.16 -1.18 0.00 1.19 -0.76 0.00 0.00 175.35 174.77 3gxd n PHE 75 N -2.55 0.00 -1.97 3.18 3.01 -0.66 -4.92 117.46 113.55 3gxd n PHE 75 Ca 0.09 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.16 3gxd n PHE 75 Cb 0.53 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.00 3gxd n PHE 75 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3gxd s GLN 76 N 1.93 3.79 0.85 -1.08 0.00 -1.26 -4.58 119.66 119.32 3gxd s GLN 76 Ca 0.00 2.21 -0.11 0.00 -0.00 0.00 0.00 55.36 57.46 3gxd s GLN 76 Cb 0.00 -2.65 0.10 0.00 0.00 0.00 0.00 33.01 30.46 3gxd s GLN 76 CO 0.00 -0.66 1.09 0.15 0.00 0.00 0.00 175.29 175.87 3gxd s LYS 77 N -2.40 1.61 -0.13 9.60 -0.14 -1.26 -1.68 119.74 125.34 3gxd s LYS 77 Ca 0.60 0.79 0.02 0.00 -1.36 0.00 0.00 55.97 56.02 3gxd s LYS 77 Cb -0.39 -1.85 -0.00 0.00 -1.68 0.00 0.00 37.83 33.90 3gxd s LYS 77 CO 0.50 -1.99 -0.19 0.08 -0.76 0.00 0.00 175.35 172.99 3gxd s VAL 78 N -3.00 2.45 -0.13 3.17 1.01 0.93 -4.61 120.40 120.22 3gxd s VAL 78 Ca 0.62 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.64 3gxd s VAL 78 Cb -0.17 -1.99 -0.08 0.00 0.00 0.00 0.00 36.38 34.14 3gxd s VAL 78 CO 0.56 0.54 0.14 0.50 0.00 0.00 0.00 175.10 176.84 3gxd h LYS 79 N 6.96 0.00 0.00 2.72 1.63 0.28 -1.83 116.57 126.32 3gxd h LYS 79 Ca -0.26 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 3gxd h LYS 79 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 3gxd h LYS 79 CO 0.53 0.30 0.00 0.41 -3.45 0.00 0.00 179.45 177.24 3gxd n GLY 80 N 1.68 -1.02 3.00 5.01 0.00 -1.19 -4.35 105.19 108.33 3gxd n GLY 80 Ca -0.07 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 3gxd n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxd s PHE 81 N -3.00 0.40 -0.64 1.61 0.40 -1.26 -1.23 117.98 114.26 3gxd s PHE 81 Ca 0.00 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 3gxd s PHE 81 Cb 0.00 -0.26 0.00 0.00 0.51 0.00 0.00 43.02 43.27 3gxd s PHE 81 CO 0.00 -0.14 0.00 0.41 0.70 0.00 0.00 175.22 176.19 3gxd n GLY 82 N 1.69 -1.08 0.51 4.36 0.00 -1.01 -0.50 105.19 109.15 3gxd n GLY 82 Ca -0.22 -0.80 -0.02 0.00 0.00 0.00 0.00 46.02 44.97 3gxd n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxd n GLY 83 N 0.00 3.05 3.58 -0.02 0.00 -1.13 -0.14 105.19 110.53 3gxd n GLY 83 Ca 0.00 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 3gxd n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxd s ALA 84 N -1.78 3.35 -1.37 4.61 0.00 0.21 -1.52 121.76 125.26 3gxd s ALA 84 Ca 0.05 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 50.96 3gxd s ALA 84 Cb -0.00 -2.03 0.02 0.00 0.00 0.00 0.00 23.12 21.10 3gxd s ALA 84 CO 0.03 -0.09 2.18 -0.12 0.00 0.00 0.00 175.76 177.76 3gxd n MET 85 N 4.10 2.70 -1.73 0.00 1.56 0.16 -2.17 117.12 121.74 3gxd n MET 85 Ca -0.16 -2.53 -0.32 0.00 -0.27 0.00 0.00 57.70 54.41 3gxd n MET 85 Cb 0.52 -3.25 0.04 0.00 2.15 0.00 0.00 33.22 32.68 3gxd n MET 85 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3gxd s THR 86 N 3.47 3.52 0.17 1.12 -4.23 -1.26 -4.37 115.64 114.05 3gxd s THR 86 Ca 0.49 0.64 -0.19 0.00 -1.18 0.00 0.00 61.69 61.44 3gxd s THR 86 Cb 0.14 -3.18 0.09 0.00 1.34 0.00 0.00 72.50 70.88 3gxd s THR 86 CO -0.06 -0.50 1.64 0.44 -0.54 0.00 0.00 174.62 175.60 3gxd h ASP 87 N -0.15 -0.68 -0.55 3.99 3.32 -1.90 -0.90 116.42 119.55 3gxd h ASP 87 Ca -0.46 0.15 0.08 0.00 0.02 0.00 0.00 57.03 56.83 3gxd h ASP 87 Cb 1.23 0.36 -0.07 0.00 0.22 0.00 0.00 39.33 41.07 3gxd h ASP 87 CO 0.55 -0.23 0.19 0.00 -1.72 0.00 0.00 179.24 178.02 3gxd h ALA 88 N 1.10 0.69 -0.63 3.45 0.00 -0.51 -0.50 119.26 122.86 3gxd h ALA 88 Ca 0.19 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.21 3gxd h ALA 88 Cb 0.42 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3gxd h ALA 88 CO -0.46 -0.22 0.38 0.00 0.00 0.00 0.00 179.25 178.95 3gxd h ALA 89 N 1.39 0.82 -0.68 0.00 0.00 -1.33 0.18 119.26 119.64 3gxd h ALA 89 Ca 0.28 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3gxd h ALA 89 Cb 0.33 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3gxd h ALA 89 CO -0.29 0.10 0.44 0.00 0.00 0.00 0.00 179.25 179.50 3gxd h ALA 90 N 1.29 0.87 -0.43 0.00 0.00 0.12 -2.15 119.26 118.96 3gxd h ALA 90 Ca 0.26 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3gxd h ALA 90 Cb 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3gxd h ALA 90 CO -0.12 0.24 0.12 1.25 0.00 0.00 0.00 179.25 180.74 3gxd h LEU 91 N 0.88 0.64 -0.66 0.00 5.85 -0.53 0.64 115.31 122.13 3gxd h LEU 91 Ca 0.26 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 3gxd h LEU 91 Cb -0.04 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3gxd h LEU 91 CO -0.08 0.69 -0.13 0.78 -0.34 0.00 0.00 178.44 179.36 3gxd h ASN 92 N 0.56 0.91 -0.19 1.25 2.35 -0.64 -1.66 115.58 118.17 3gxd h ASN 92 Ca 0.14 -0.30 -0.05 0.00 -0.55 0.00 0.00 56.30 55.54 3gxd h ASN 92 Cb 0.29 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3gxd h ASN 92 CO -0.00 1.04 -0.07 0.40 -1.65 0.00 0.00 177.43 177.15 3gxd h ILE 93 N 0.81 1.30 0.00 2.81 2.04 -1.17 -2.29 117.51 121.01 3gxd h ILE 93 Ca 0.13 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.89 3gxd h ILE 93 Cb 0.66 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 3gxd h ILE 93 CO 0.05 0.33 0.00 0.18 0.00 0.00 0.00 178.15 178.71 3gxd n LEU 94 N -4.60 0.00 -0.05 1.44 4.77 0.20 -2.57 117.00 116.18 3gxd n LEU 94 Ca -0.05 0.46 0.15 0.00 -0.03 0.00 0.00 56.01 56.54 3gxd n LEU 94 Cb 0.30 -0.46 0.74 0.00 -2.33 0.00 0.00 43.42 41.67 3gxd n LEU 94 CO 0.38 -0.16 0.98 0.00 -1.33 0.00 0.00 177.39 177.26 3gxd n ALA 95 N -1.46 2.62 -2.39 -1.18 0.00 -0.63 -4.79 120.51 112.67 3gxd n ALA 95 Ca 0.05 -0.20 -0.23 0.00 0.00 0.00 0.00 53.44 53.06 3gxd n ALA 95 Cb 0.21 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.23 3gxd n ALA 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gxd s LEU 96 N -2.43 3.74 0.48 0.00 1.43 -1.06 -4.93 118.68 115.91 3gxd s LEU 96 Ca 0.32 0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 53.51 3gxd s LEU 96 Cb 0.20 -3.18 -0.08 0.00 0.03 0.00 0.00 46.19 43.17 3gxd s LEU 96 CO 0.45 -0.61 1.06 -0.94 0.23 0.00 0.00 176.35 176.55 3gxd s SER 97 N -4.18 6.27 0.19 2.29 1.04 -1.26 -4.70 113.70 113.34 3gxd s SER 97 Ca 0.47 2.01 -0.23 0.00 0.48 0.00 0.00 55.95 58.68 3gxd s SER 97 Cb -0.10 -2.57 0.10 0.00 0.10 0.00 0.00 66.02 63.55 3gxd s SER 97 CO 0.37 -0.83 1.56 -0.65 0.98 0.00 0.00 173.24 174.67 3gxd h PRO 98 N 1.64 -0.13 0.00 4.02 0.11 -1.95 0.17 132.00 135.86 3gxd h PRO 98 Ca -0.49 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gxd h PRO 98 Cb 1.23 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3gxd h PRO 98 CO 0.59 -0.09 -0.02 -1.35 -0.21 0.00 0.00 178.00 176.92 3gxd h PRO 99 N -0.14 0.00 -0.09 1.05 0.11 -1.91 0.62 132.00 131.63 3gxd h PRO 99 Ca 0.23 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.22 3gxd h PRO 99 Cb 0.56 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 3gxd h PRO 99 CO -0.78 0.02 -0.50 0.00 -0.21 0.00 0.00 178.00 176.52 3gxd h ALA 100 N 1.98 0.98 -0.61 -0.75 0.00 -0.83 -2.47 119.26 117.57 3gxd h ALA 100 Ca -0.00 -0.47 0.18 0.00 0.00 0.00 0.00 54.91 54.61 3gxd h ALA 100 Cb 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3gxd h ALA 100 CO 0.00 0.66 0.49 1.96 0.00 0.00 0.00 179.25 182.36 3gxd h GLN 101 N 0.19 0.00 0.10 0.00 4.20 -0.08 -0.52 115.11 119.00 3gxd h GLN 101 Ca 0.01 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.38 3gxd h GLN 101 Cb 0.95 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.71 3gxd h GLN 101 CO 0.08 0.00 -1.88 0.09 -0.67 0.00 0.00 178.83 176.45 3gxd n ASN 102 N -4.13 2.07 -0.29 1.46 3.02 -0.94 -2.27 115.26 114.17 3gxd n ASN 102 Ca 0.12 0.24 0.14 0.00 -0.03 0.00 0.00 54.58 55.05 3gxd n ASN 102 Cb 0.73 -0.88 0.39 0.00 -0.61 0.00 0.00 39.78 39.41 3gxd n ASN 102 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3gxd h LEU 103 N -0.15 0.64 -0.11 3.41 3.38 -1.43 0.33 115.31 121.39 3gxd h LEU 103 Ca -0.42 0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.63 3gxd h LEU 103 Cb 1.89 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 3gxd h LEU 103 CO 0.02 0.28 0.01 0.25 0.09 0.00 0.00 178.44 179.09 3gxd h LEU 104 N 0.65 -0.01 -0.27 1.67 6.46 -1.07 -2.13 115.31 120.61 3gxd h LEU 104 Ca 0.50 0.02 -0.19 0.00 -0.12 0.00 0.00 57.88 58.09 3gxd h LEU 104 Cb 0.89 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.83 3gxd h LEU 104 CO -0.25 0.01 -0.88 -0.07 -0.62 0.00 0.00 178.44 176.63 3gxd h LEU 105 N 0.05 0.08 -0.61 2.25 3.38 -0.79 -2.98 115.31 116.70 3gxd h LEU 105 Ca 0.05 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3gxd h LEU 105 Cb 0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3gxd h LEU 105 CO -0.07 0.91 0.25 0.11 0.09 0.00 0.00 178.44 179.73 3gxd h LYS 106 N 0.03 0.91 -1.05 1.13 1.57 -0.40 0.23 116.57 118.99 3gxd h LYS 106 Ca -0.02 -0.16 0.28 0.00 -1.87 0.00 0.00 60.65 58.88 3gxd h LYS 106 Cb 1.53 -0.15 -0.12 0.00 0.08 0.00 0.00 32.23 33.58 3gxd h LYS 106 CO 0.12 0.77 0.65 0.77 -0.57 0.00 0.00 179.45 181.19 3gxd h SER 107 N 0.85 0.52 0.06 0.86 0.02 -1.22 -0.28 113.55 114.36 3gxd h SER 107 Ca 0.20 0.12 -0.35 0.00 -0.84 0.00 0.00 61.79 60.93 3gxd h SER 107 Cb 0.19 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 3gxd h SER 107 CO -0.02 0.03 -1.95 -1.22 -1.14 0.00 0.00 176.83 172.54 3gxd n TYR 108 N -4.78 0.87 -0.03 3.45 0.53 -1.05 -1.65 117.16 114.49 3gxd n TYR 108 Ca 0.28 0.24 -0.02 0.00 -1.02 0.00 0.00 57.90 57.39 3gxd n TYR 108 Cb 0.90 -1.11 -0.08 0.00 -1.03 0.00 0.00 39.34 38.03 3gxd n TYR 108 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 3gxd n PHE 109 N -3.76 0.00 -1.26 -0.72 3.01 0.78 -0.91 117.46 114.60 3gxd n PHE 109 Ca -0.37 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 57.79 3gxd n PHE 109 Cb 0.93 -0.41 0.12 0.00 -0.01 0.00 0.00 39.48 40.11 3gxd n PHE 109 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3gxd s SER 110 N -3.91 3.90 0.22 4.37 0.15 -0.14 -3.79 113.70 114.51 3gxd s SER 110 Ca -0.05 1.57 0.08 0.00 0.70 0.00 0.00 55.95 58.25 3gxd s SER 110 Cb 0.04 -2.26 0.16 0.00 -1.71 0.00 0.00 66.02 62.26 3gxd s SER 110 CO 0.42 -2.38 1.50 -0.33 1.20 0.00 0.00 173.24 173.65 3gxd h GLU 111 N -1.37 0.04 0.00 5.44 4.39 -1.85 -1.27 114.58 119.97 3gxd h GLU 111 Ca -0.47 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.19 3gxd h GLU 111 Cb 1.27 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 3gxd h GLU 111 CO 0.54 0.76 0.00 0.39 -1.16 0.00 0.00 179.01 179.55 3gxd n GLU 112 N -3.68 0.10 0.00 2.33 4.71 -1.26 -4.66 120.64 118.17 3gxd n GLU 112 Ca -0.01 0.42 0.00 0.00 -0.01 0.00 0.00 57.16 57.55 3gxd n GLU 112 Cb 0.72 -1.72 0.00 0.00 -1.01 0.00 0.00 31.44 29.43 3gxd n GLU 112 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gxd n GLY 113 N -0.44 2.99 1.65 0.62 0.00 -0.52 -1.64 105.19 107.85 3gxd n GLY 113 Ca 0.02 -1.75 0.08 0.00 0.00 0.00 0.00 46.02 44.37 3gxd n GLY 113 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3gxd n ILE 114 N 0.00 2.22 -3.94 -0.61 -5.35 -0.66 -4.87 119.36 106.15 3gxd n ILE 114 Ca 0.00 -1.33 -0.34 0.00 -0.27 0.00 0.00 62.75 60.82 3gxd n ILE 114 Cb 0.00 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 37.85 3gxd n ILE 114 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gxd n GLY 115 N 0.81 -0.62 3.77 3.28 0.00 -0.94 -2.93 105.19 108.56 3gxd n GLY 115 Ca 0.26 0.30 -0.40 0.00 0.00 0.00 0.00 46.02 46.19 3gxd n GLY 115 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gxd s TYR 116 N -3.74 2.87 -0.02 1.61 4.12 -0.09 -4.77 117.35 117.33 3gxd s TYR 116 Ca 0.28 1.42 0.03 0.00 0.02 0.00 0.00 57.07 58.82 3gxd s TYR 116 Cb -0.13 -3.66 0.04 0.00 -1.52 0.00 0.00 41.96 36.70 3gxd s TYR 116 CO 0.91 -2.01 0.84 0.27 0.02 0.00 0.00 175.55 175.58 3gxd n ASN 117 N 0.25 1.01 -3.94 2.29 6.94 0.34 -4.84 115.26 117.30 3gxd n ASN 117 Ca 0.03 -1.79 -0.18 0.00 -0.02 0.00 0.00 54.58 52.62 3gxd n ASN 117 Cb 0.43 -0.09 -0.15 0.00 -2.36 0.00 0.00 39.78 37.61 3gxd n ASN 117 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3gxd s ILE 118 N -0.75 0.52 -0.08 1.53 1.01 -0.76 0.46 121.20 123.13 3gxd s ILE 118 Ca 0.05 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.50 3gxd s ILE 118 Cb 0.04 -0.49 0.02 0.00 0.01 0.00 0.00 42.46 42.04 3gxd s ILE 118 CO 0.00 0.18 -0.11 -0.63 0.00 0.00 0.00 174.94 174.38 3gxd s ILE 119 N 0.31 1.11 -0.21 2.92 1.01 -0.28 -2.82 121.20 123.24 3gxd s ILE 119 Ca -0.04 -0.43 -0.17 0.00 0.00 0.00 0.00 60.65 60.02 3gxd s ILE 119 Cb -0.08 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 3gxd s ILE 119 CO -0.00 0.36 0.44 -0.60 0.00 0.00 0.00 174.94 175.14 3gxd s ARG 120 N 0.97 4.16 -0.24 2.79 3.52 -0.57 -0.51 118.95 129.07 3gxd s ARG 120 Ca -0.09 0.26 -0.06 0.00 -0.13 0.00 0.00 55.73 55.72 3gxd s ARG 120 Cb -0.15 -3.56 -0.02 0.00 -1.56 0.00 0.00 34.95 29.67 3gxd s ARG 120 CO 0.00 -0.10 0.03 0.08 -0.81 0.00 0.00 175.30 174.49 3gxd s VAL 121 N 1.51 3.89 0.56 7.11 1.01 0.75 -0.66 120.40 134.57 3gxd s VAL 121 Ca 0.20 -0.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 3gxd s VAL 121 Cb -0.15 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 3gxd s VAL 121 CO 0.09 0.34 1.20 -2.84 0.00 0.00 0.00 175.10 173.88 3gxd s PRO 122 N 1.55 3.18 -0.58 2.72 0.02 -1.26 -2.48 135.00 138.14 3gxd s PRO 122 Ca 0.06 1.81 -0.19 0.00 0.02 0.00 0.00 61.00 62.70 3gxd s PRO 122 Cb -0.15 -2.04 0.10 0.00 0.02 0.00 0.00 34.50 32.43 3gxd s PRO 122 CO 0.01 -1.04 0.70 -1.64 -0.33 0.00 0.00 177.00 174.70 3gxd s MET 123 N -3.19 3.05 3.49 5.54 -1.94 0.16 -4.84 119.30 121.57 3gxd s MET 123 Ca 0.74 -1.28 0.00 0.00 -1.71 0.00 0.00 55.69 53.44 3gxd s MET 123 Cb -0.30 -4.25 0.00 0.00 2.01 0.00 0.00 34.83 32.29 3gxd s MET 123 CO 0.33 -1.51 0.00 0.00 -0.01 0.00 0.00 175.02 173.83 3gxd n ALA 124 N 6.32 0.00 -1.92 3.03 0.00 -1.26 -4.36 120.51 122.32 3gxd n ALA 124 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.95 3gxd n ALA 124 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 3gxd n ALA 124 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gxd s SER 125 N -4.00 7.47 0.00 0.00 1.04 -0.96 -4.94 113.70 112.31 3gxd s SER 125 Ca 0.00 1.74 0.00 0.00 0.48 0.00 0.00 55.95 58.17 3gxd s SER 125 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 3gxd s SER 125 CO 0.00 0.19 0.00 0.00 0.98 0.00 0.00 173.24 174.41 3gxd n ASP 127 N 0.00 0.48 -2.17 0.00 5.75 -1.26 -3.19 116.55 116.16 3gxd n ASP 127 Ca 0.00 -0.03 -0.28 0.00 -0.01 0.00 0.00 54.79 54.47 3gxd n ASP 127 Cb 0.00 0.10 0.06 0.00 -1.03 0.00 0.00 41.12 40.25 3gxd n ASP 127 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3gxd n PHE 128 N -1.66 2.61 -4.39 2.11 3.01 -1.26 -2.87 117.46 115.00 3gxd n PHE 128 Ca 0.05 -2.64 -0.25 0.00 1.01 0.00 0.00 57.45 55.62 3gxd n PHE 128 Cb 0.36 -1.27 -0.09 0.00 -0.01 0.00 0.00 39.48 38.47 3gxd n PHE 128 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3gxd s SER 129 N -1.08 4.08 -0.05 4.37 0.01 -1.19 0.21 113.70 120.04 3gxd s SER 129 Ca 0.52 -1.11 0.13 0.00 1.31 0.00 0.00 55.95 56.80 3gxd s SER 129 Cb 0.41 -0.47 0.40 0.00 0.21 0.00 0.00 66.02 66.58 3gxd s SER 129 CO -0.01 -0.32 1.33 2.30 0.41 0.00 0.00 173.24 176.96 3gxd n ILE 130 N -0.97 1.34 -3.50 1.44 -5.35 -1.26 -1.94 119.36 109.11 3gxd n ILE 130 Ca -0.04 -1.20 -0.08 0.00 -0.27 0.00 0.00 62.75 61.15 3gxd n ILE 130 Cb 0.64 0.31 -0.02 0.00 -1.74 0.00 0.00 39.64 38.83 3gxd n ILE 130 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gxd s ARG 131 N -1.46 0.85 -0.19 6.28 1.70 -1.26 -4.87 118.95 119.99 3gxd s ARG 131 Ca 0.31 -0.31 -0.11 0.00 -0.47 0.00 0.00 55.73 55.15 3gxd s ARG 131 Cb 0.19 0.39 -0.05 0.00 -0.57 0.00 0.00 34.95 34.91 3gxd s ARG 131 CO 0.16 -0.37 0.15 0.95 -1.08 0.00 0.00 175.30 175.11 3gxd s THR 132 N -3.15 5.40 -0.11 4.99 -4.23 -1.26 -4.88 115.64 112.39 3gxd s THR 132 Ca 0.05 0.24 -0.27 0.00 -1.18 0.00 0.00 61.69 60.53 3gxd s THR 132 Cb -0.01 -3.49 0.06 0.00 1.34 0.00 0.00 72.50 70.40 3gxd s THR 132 CO -0.09 0.43 0.64 -0.72 -0.54 0.00 0.00 174.62 174.35 3gxd s TYR 133 N 0.38 -0.64 0.28 3.99 -0.85 -1.26 -5.04 117.35 114.20 3gxd s TYR 133 Ca 0.09 1.28 0.02 0.00 -0.52 0.00 0.00 57.07 57.94 3gxd s TYR 133 Cb -0.11 0.33 0.02 0.00 0.38 0.00 0.00 41.96 42.58 3gxd s TYR 133 CO -0.01 -0.51 0.19 0.25 -1.52 0.00 0.00 175.55 173.95 3gxd n THR 134 N 1.54 0.00 1.00 -3.49 -2.24 -1.26 -2.28 114.28 107.55 3gxd n THR 134 Ca -0.18 -1.14 0.12 0.00 -2.27 0.00 0.00 64.05 60.59 3gxd n THR 134 Cb 0.56 -0.21 0.26 0.00 -2.10 0.00 0.00 70.33 68.85 3gxd n THR 134 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3gxd n TYR 135 N -1.12 0.14 -3.05 4.78 0.53 -1.26 -4.46 117.16 112.72 3gxd n TYR 135 Ca -0.02 -0.07 -0.19 0.00 -1.02 0.00 0.00 57.90 56.60 3gxd n TYR 135 Cb 0.32 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 38.60 3gxd n TYR 135 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3gxd n ALA 136 N 0.97 1.21 0.82 -0.72 0.00 -1.26 -0.91 120.51 120.61 3gxd n ALA 136 Ca 0.17 -2.77 0.12 0.00 0.00 0.00 0.00 53.44 50.96 3gxd n ALA 136 Cb 0.51 -0.98 0.25 0.00 0.00 0.00 0.00 19.45 19.23 3gxd n ALA 136 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gxd n ASP 137 N 1.46 0.54 -4.66 0.00 8.00 -1.26 -4.75 116.55 115.88 3gxd n ASP 137 Ca 0.17 -0.02 -0.47 0.00 0.71 0.00 0.00 54.79 55.18 3gxd n ASP 137 Cb 0.56 0.14 -0.05 0.00 -0.02 0.00 0.00 41.12 41.76 3gxd n ASP 137 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3gxd n THR 138 N -1.75 0.57 -1.83 -3.53 -1.04 -1.26 -4.96 114.28 100.48 3gxd n THR 138 Ca 0.05 -0.15 -0.39 0.00 -2.04 0.00 0.00 64.05 61.52 3gxd n THR 138 Cb 0.38 -1.98 0.02 0.00 -1.82 0.00 0.00 70.33 66.93 3gxd n THR 138 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3gxd s PRO 139 N 4.47 3.60 -1.44 -2.82 0.02 -1.26 -3.21 135.00 134.35 3gxd s PRO 139 Ca 0.94 2.35 -0.10 0.00 0.02 0.00 0.00 61.00 64.21 3gxd s PRO 139 Cb -0.64 -2.58 0.06 0.00 0.02 0.00 0.00 34.50 31.35 3gxd s PRO 139 CO 0.49 -0.86 0.72 -0.25 -0.33 0.00 0.00 177.00 176.77 3gxd n ASP 140 N -0.34 -4.87 -2.89 2.53 8.00 -1.26 -4.90 116.55 112.82 3gxd n ASP 140 Ca 0.06 -0.49 -0.32 0.00 0.71 0.00 0.00 54.79 54.75 3gxd n ASP 140 Cb 0.43 -3.94 -0.04 0.00 -0.02 0.00 0.00 41.12 37.55 3gxd n ASP 140 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gxd n ASP 141 N -2.56 7.11 -0.36 -2.24 2.03 -1.20 -4.73 116.55 114.61 3gxd n ASP 141 Ca -0.02 -3.11 0.35 0.00 0.52 0.00 0.00 54.79 52.53 3gxd n ASP 141 Cb 0.56 -1.31 0.73 0.00 -0.72 0.00 0.00 41.12 40.38 3gxd n ASP 141 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 3gxd h PHE 142 N 3.71 0.09 0.00 -0.67 -1.00 -1.91 0.62 116.94 117.78 3gxd h PHE 142 Ca 0.52 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.29 3gxd h PHE 142 Cb 0.59 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 40.12 3gxd h PHE 142 CO 1.56 -0.00 -0.08 1.96 -1.61 0.00 0.00 178.31 180.14 3gxd h GLN 143 N 0.05 0.00 -3.30 1.51 1.08 -2.00 -3.45 115.11 108.99 3gxd h GLN 143 Ca 0.61 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.59 3gxd h GLN 143 Cb 2.32 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 29.81 3gxd h GLN 143 CO -0.05 0.08 -0.36 1.28 -0.95 0.00 0.00 178.83 178.83 3gxd n LEU 144 N -3.13 -2.56 0.15 1.46 4.77 0.22 -4.94 117.00 112.97 3gxd n LEU 144 Ca 0.03 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 3gxd n LEU 144 Cb 0.52 -1.87 0.21 0.00 -2.33 0.00 0.00 43.42 39.95 3gxd n LEU 144 CO 0.34 0.28 0.54 -0.74 -1.33 0.00 0.00 177.39 176.48 3gxd h HIS 145 N -1.23 0.00 -0.70 -1.77 2.76 -1.92 -2.83 115.15 109.46 3gxd h HIS 145 Ca -0.30 0.00 -0.41 0.00 -2.20 0.00 0.00 60.37 57.45 3gxd h HIS 145 Cb 1.20 0.00 -0.21 0.00 1.55 0.00 0.00 27.41 29.95 3gxd h HIS 145 CO 0.28 0.56 0.53 0.09 -1.30 0.00 0.00 177.93 178.09 3gxd n ASN 146 N -3.77 5.03 -4.64 3.26 4.13 -1.26 -4.93 115.26 113.08 3gxd n ASN 146 Ca -0.01 -3.24 -0.41 0.00 1.68 0.00 0.00 54.58 52.60 3gxd n ASN 146 Cb 0.58 -0.86 -0.05 0.00 -1.54 0.00 0.00 39.78 37.91 3gxd n ASN 146 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3gxd s PHE 147 N -2.48 3.31 -0.00 3.10 5.36 -1.07 -4.46 117.98 121.74 3gxd s PHE 147 Ca 0.42 0.98 -0.21 0.00 -0.96 0.00 0.00 56.93 57.17 3gxd s PHE 147 Cb 0.35 -2.93 0.04 0.00 -0.34 0.00 0.00 43.02 40.14 3gxd s PHE 147 CO 0.04 -0.33 0.46 -1.54 -1.46 0.00 0.00 175.22 172.39 3gxd s SER 148 N 1.37 -0.37 0.07 6.13 1.04 -0.09 -5.02 113.70 116.83 3gxd s SER 148 Ca 0.31 0.25 -0.31 0.00 0.48 0.00 0.00 55.95 56.67 3gxd s SER 148 Cb -0.15 0.43 -0.08 0.00 0.10 0.00 0.00 66.02 66.31 3gxd s SER 148 CO 0.08 -0.58 1.53 -0.76 0.98 0.00 0.00 173.24 174.49 3gxd s LEU 149 N -1.55 4.35 0.00 2.42 1.43 -1.26 -4.63 118.68 119.44 3gxd s LEU 149 Ca -0.10 2.37 -0.03 0.00 -1.03 0.00 0.00 54.13 55.34 3gxd s LEU 149 Cb -0.02 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.67 3gxd s LEU 149 CO 0.03 -0.80 0.22 -0.81 0.23 0.00 0.00 176.35 175.22 3gxd n PRO 150 N 5.12 -0.52 0.08 1.29 -0.04 -1.26 -4.80 135.00 134.87 3gxd n PRO 150 Ca 0.14 -0.34 0.02 0.00 -0.04 0.00 0.00 63.50 63.29 3gxd n PRO 150 Cb 0.41 -0.24 0.37 0.00 -0.04 0.00 0.00 33.50 34.00 3gxd n PRO 150 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3gxd h GLU 151 N 0.00 0.33 -0.18 0.54 5.08 -1.97 -1.84 114.58 116.55 3gxd h GLU 151 Ca -0.07 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3gxd h GLU 151 Cb 0.20 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3gxd h GLU 151 CO 0.05 0.42 0.17 0.93 -1.00 0.00 0.00 179.01 179.58 3gxd h GLU 152 N 0.32 0.00 0.00 2.33 3.07 -1.96 0.81 114.58 119.14 3gxd h GLU 152 Ca 0.07 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.89 3gxd h GLU 152 Cb 0.33 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 3gxd h GLU 152 CO 0.02 0.00 -0.70 -0.25 -1.40 0.00 0.00 179.01 176.68 3gxd n ASP 153 N -3.99 1.83 0.24 1.42 8.00 -0.92 -1.43 116.55 121.70 3gxd n ASP 153 Ca 0.01 0.57 0.09 0.00 0.71 0.00 0.00 54.79 56.18 3gxd n ASP 153 Cb 0.30 -0.86 0.61 0.00 -0.02 0.00 0.00 41.12 41.14 3gxd n ASP 153 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3gxd h THR 154 N -1.00 0.79 0.00 -3.53 1.35 -0.95 0.13 112.91 109.70 3gxd h THR 154 Ca -0.05 -0.69 -0.21 0.00 -0.55 0.00 0.00 66.41 64.90 3gxd h THR 154 Cb 0.68 1.41 -0.04 0.00 -1.73 0.00 0.00 68.15 68.47 3gxd h THR 154 CO -0.03 0.17 -1.83 0.29 -0.25 0.00 0.00 175.52 173.87 3gxd n LYS 155 N -3.85 1.94 0.00 4.72 4.76 0.28 -4.53 118.16 121.48 3gxd n LYS 155 Ca -0.02 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 3gxd n LYS 155 Cb 0.27 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 3gxd n LYS 155 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3gxd n LEU 156 N -2.43 0.00 0.22 -0.35 4.77 -1.16 -4.65 117.00 113.38 3gxd n LEU 156 Ca -0.19 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.62 3gxd n LEU 156 Cb 0.88 -0.15 -0.09 0.00 -2.33 0.00 0.00 43.42 41.72 3gxd n LEU 156 CO 0.26 -0.23 0.52 0.11 -1.33 0.00 0.00 177.39 176.72 3gxd h LYS 157 N 0.00 -0.84 0.41 3.23 1.57 -1.26 -2.96 116.57 116.72 3gxd h LYS 157 Ca 0.00 0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3gxd h LYS 157 Cb 0.00 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3gxd h LYS 157 CO 0.00 -0.56 -0.30 0.82 -0.57 0.00 0.00 179.45 178.85 3gxd h ILE 158 N -0.87 0.39 -0.61 1.86 2.04 -0.97 -0.24 117.51 119.12 3gxd h ILE 158 Ca -0.04 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.94 3gxd h ILE 158 Cb 0.79 0.39 -0.10 0.00 -0.74 0.00 0.00 36.82 37.16 3gxd h ILE 158 CO -0.14 0.00 0.04 -0.65 0.00 0.00 0.00 178.15 177.40 3gxd h PRO 159 N -0.70 0.15 -0.35 2.37 0.11 -1.75 -1.48 132.00 130.36 3gxd h PRO 159 Ca -0.04 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.11 3gxd h PRO 159 Cb 0.59 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.62 3gxd h PRO 159 CO 0.01 0.10 0.08 -0.07 -0.21 0.00 0.00 178.00 177.91 3gxd h LEU 160 N 0.15 0.03 -0.91 2.35 3.38 -1.26 -1.10 115.31 117.95 3gxd h LEU 160 Ca 0.32 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.47 3gxd h LEU 160 Cb 0.51 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 3gxd h LEU 160 CO -0.49 0.05 0.53 0.40 0.09 0.00 0.00 178.44 179.03 3gxd h ILE 161 N 0.20 0.84 -0.28 1.22 2.04 -0.28 0.15 117.51 121.39 3gxd h ILE 161 Ca 0.16 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 3gxd h ILE 161 Cb 0.18 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 3gxd h ILE 161 CO -0.21 0.15 0.11 0.45 0.00 0.00 0.00 178.15 178.65 3gxd h HIS 162 N 0.81 0.43 -0.37 1.37 3.86 -0.24 -1.97 115.15 119.04 3gxd h HIS 162 Ca 0.47 -0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.70 3gxd h HIS 162 Cb 0.55 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 28.85 3gxd h HIS 162 CO -0.04 0.43 0.08 0.00 0.86 0.00 0.00 177.93 179.26 3gxd h ARG 163 N 0.30 0.20 -0.72 2.45 3.08 -0.78 -0.59 114.38 118.32 3gxd h ARG 163 Ca 0.09 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.17 3gxd h ARG 163 Cb 0.19 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 3gxd h ARG 163 CO -0.01 0.13 0.45 0.00 -1.07 0.00 0.00 179.97 179.47 3gxd h ALA 164 N 1.27 0.95 -0.59 0.04 0.00 -0.33 -2.13 119.26 118.49 3gxd h ALA 164 Ca 0.17 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3gxd h ALA 164 Cb 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3gxd h ALA 164 CO -0.22 0.21 -0.04 -0.07 0.00 0.00 0.00 179.25 179.12 3gxd h LEU 165 N 0.86 1.05 -0.47 0.00 3.38 -0.95 -2.40 115.31 116.79 3gxd h LEU 165 Ca 0.30 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3gxd h LEU 165 Cb 0.06 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3gxd h LEU 165 CO -0.13 1.12 0.27 1.56 0.09 0.00 0.00 178.44 181.36 3gxd h GLN 166 N 0.96 0.53 -0.35 1.13 4.20 -0.48 -2.91 115.11 118.19 3gxd h GLN 166 Ca 0.16 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 3gxd h GLN 166 Cb 0.61 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 3gxd h GLN 166 CO 0.04 0.35 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.47 3gxd h LEU 167 N 0.55 0.52 -9.56 1.46 3.38 -1.29 -3.43 115.31 106.94 3gxd h LEU 167 Ca 0.19 -0.10 -0.52 0.00 0.09 0.00 0.00 57.88 57.54 3gxd h LEU 167 Cb 0.03 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3gxd h LEU 167 CO -0.09 0.60 0.34 0.00 0.09 0.00 0.00 178.44 179.38 3gxd s ALA 168 N -4.95 3.25 -0.16 1.53 0.00 -0.92 -4.36 121.76 116.15 3gxd s ALA 168 Ca -0.08 0.55 -0.26 0.00 0.00 0.00 0.00 51.96 52.17 3gxd s ALA 168 Cb 0.15 -3.25 -0.24 0.00 0.00 0.00 0.00 23.12 19.78 3gxd s ALA 168 CO 0.77 -0.02 0.58 1.96 0.00 0.00 0.00 175.76 179.05 3gxd h GLN 169 N 5.61 0.00 -6.40 0.00 1.08 -1.84 -3.46 115.11 110.10 3gxd h GLN 169 Ca -0.43 0.00 -0.62 0.00 -1.45 0.00 0.00 58.65 56.15 3gxd h GLN 169 Cb 1.21 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 28.69 3gxd h GLN 169 CO 0.72 1.00 0.74 0.54 -0.95 0.00 0.00 178.83 180.87 3gxd n ARG 170 N -4.55 1.83 -1.60 1.46 1.74 -1.26 -4.94 116.66 109.35 3gxd n ARG 170 Ca -0.18 0.66 -0.44 0.00 -0.77 0.00 0.00 57.85 57.13 3gxd n ARG 170 Cb 0.55 -2.40 -0.01 0.00 -1.02 0.00 0.00 32.46 29.58 3gxd n ARG 170 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3gxd n PRO 171 N 3.55 1.39 -4.68 5.56 -0.02 -1.26 -4.96 135.00 134.59 3gxd n PRO 171 Ca 0.18 0.49 -0.33 0.00 -2.02 0.00 0.00 63.50 61.82 3gxd n PRO 171 Cb 0.25 -1.90 -0.13 0.00 -0.02 0.00 0.00 33.50 31.71 3gxd n PRO 171 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gxd s VAL 172 N -1.11 3.43 -0.20 -1.45 1.01 -1.26 -4.81 120.40 116.01 3gxd s VAL 172 Ca 0.59 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 3gxd s VAL 172 Cb -0.67 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 3gxd s VAL 172 CO 0.60 0.56 0.09 -0.44 0.00 0.00 0.00 175.10 175.91 3gxd s SER 173 N -0.23 5.78 -0.08 3.32 0.01 0.17 -4.97 113.70 117.71 3gxd s SER 173 Ca 0.02 0.09 -0.13 0.00 1.31 0.00 0.00 55.95 57.24 3gxd s SER 173 Cb -0.13 -2.01 -0.05 0.00 0.21 0.00 0.00 66.02 64.04 3gxd s SER 173 CO 0.03 0.13 0.32 -0.76 0.41 0.00 0.00 173.24 173.38 3gxd s LEU 174 N 0.62 4.37 -0.15 2.44 1.43 -1.26 -1.13 118.68 125.01 3gxd s LEU 174 Ca 0.05 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 3gxd s LEU 174 Cb -0.13 -2.43 0.02 0.00 0.03 0.00 0.00 46.19 43.69 3gxd s LEU 174 CO 0.01 0.25 -0.13 -0.22 0.23 0.00 0.00 176.35 176.49 3gxd s LEU 175 N -0.48 1.66 -0.01 1.79 2.96 0.33 -0.69 118.68 124.24 3gxd s LEU 175 Ca 0.20 -0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 53.55 3gxd s LEU 175 Cb -0.14 -1.14 -0.05 0.00 0.50 0.00 0.00 46.19 45.36 3gxd s LEU 175 CO 0.08 -0.07 0.25 0.00 -1.32 0.00 0.00 176.35 175.30 3gxd s ALA 176 N 1.51 3.85 -0.04 5.97 0.00 -0.82 -0.18 121.76 132.05 3gxd s ALA 176 Ca 0.05 -0.58 -0.00 0.00 0.00 0.00 0.00 51.96 51.43 3gxd s ALA 176 Cb -0.13 -2.06 0.03 0.00 0.00 0.00 0.00 23.12 20.96 3gxd s ALA 176 CO -0.10 0.64 0.00 -1.12 0.00 0.00 0.00 175.76 175.18 3gxd s SER 177 N -1.58 0.88 0.34 0.00 0.01 -1.03 -0.98 113.70 111.34 3gxd s SER 177 Ca 0.25 -0.04 -0.10 0.00 1.31 0.00 0.00 55.95 57.37 3gxd s SER 177 Cb -0.13 -0.29 -0.07 0.00 0.21 0.00 0.00 66.02 65.74 3gxd s SER 177 CO 0.14 -0.14 0.69 -2.16 0.41 0.00 0.00 173.24 172.19 3gxd s PRO 178 N 1.40 3.81 -0.13 12.44 0.04 -1.26 -0.66 135.00 150.63 3gxd s PRO 178 Ca -0.04 0.41 -0.13 0.00 0.04 0.00 0.00 61.00 61.28 3gxd s PRO 178 Cb -0.13 -2.48 -0.06 0.00 0.04 0.00 0.00 34.50 31.87 3gxd s PRO 178 CO -0.03 0.10 -0.26 0.91 0.04 0.00 0.00 177.00 177.76 3gxd n TRP 179 N -0.87 0.00 -4.45 0.56 8.01 -1.26 -1.32 117.44 118.11 3gxd n TRP 179 Ca 0.02 0.00 -0.24 0.00 -1.31 0.00 0.00 57.50 55.97 3gxd n TRP 179 Cb 0.54 -0.46 -0.10 0.00 -2.01 0.00 0.00 31.31 29.27 3gxd n TRP 179 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 3gxd s THR 180 N -2.61 2.55 0.43 -0.99 -1.32 -1.26 -2.50 115.64 109.94 3gxd s THR 180 Ca -0.23 -2.34 0.03 0.00 -1.21 0.00 0.00 61.69 57.93 3gxd s THR 180 Cb 0.05 -2.33 0.00 0.00 -1.51 0.00 0.00 72.50 68.71 3gxd s THR 180 CO 0.33 -0.38 0.61 -0.94 -2.21 0.00 0.00 174.62 172.04 3gxd s SER 181 N -3.46 5.77 0.38 8.08 1.04 -1.26 -4.97 113.70 119.29 3gxd s SER 181 Ca 0.29 0.02 -0.16 0.00 0.48 0.00 0.00 55.95 56.58 3gxd s SER 181 Cb -0.05 -1.25 -0.13 0.00 0.10 0.00 0.00 66.02 64.69 3gxd s SER 181 CO 0.15 -0.69 -0.02 -2.65 0.98 0.00 0.00 173.24 171.01 3gxd n PRO 182 N -1.96 0.00 0.12 4.02 -0.02 -1.26 -4.88 135.00 131.03 3gxd n PRO 182 Ca 0.03 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.50 3gxd n PRO 182 Cb 0.58 -0.84 0.09 0.00 -0.02 0.00 0.00 33.50 33.31 3gxd n PRO 182 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3gxd h THR 183 N 0.12 1.30 0.00 3.45 1.35 -1.89 -3.01 112.91 114.23 3gxd h THR 183 Ca -0.33 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 63.10 3gxd h THR 183 Cb 1.22 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 70.02 3gxd h THR 183 CO 0.37 0.65 0.00 4.11 -0.25 0.00 0.00 175.52 180.40 3gxd h TRP 184 N 0.00 0.00 -0.00 4.73 5.08 -1.91 -0.39 115.95 123.45 3gxd h TRP 184 Ca -0.01 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.96 3gxd h TRP 184 Cb 1.32 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.48 3gxd h TRP 184 CO 0.00 0.00 -0.04 1.28 -1.28 0.00 0.00 178.44 178.40 3gxd n LEU 185 N -2.96 0.26 -4.41 0.11 4.77 -1.14 -4.91 117.00 108.73 3gxd n LEU 185 Ca -0.01 0.07 -0.33 0.00 -0.03 0.00 0.00 56.01 55.71 3gxd n LEU 185 Cb 0.17 -0.16 -0.14 0.00 -2.33 0.00 0.00 43.42 40.96 3gxd n LEU 185 CO 0.22 0.05 -0.44 -0.54 -1.33 0.00 0.00 177.39 175.34 3gxd s LYS 186 N -2.36 3.16 0.59 3.23 1.02 -0.16 -0.73 119.74 124.49 3gxd s LYS 186 Ca 0.34 -0.68 0.29 0.00 0.02 0.00 0.00 55.97 55.94 3gxd s LYS 186 Cb 0.21 -2.57 1.44 0.00 -0.52 0.00 0.00 37.83 36.38 3gxd s LYS 186 CO 0.44 0.33 1.85 1.79 -0.92 0.00 0.00 175.35 178.83 3gxd h THR 187 N 5.10 0.32 -0.01 2.17 1.35 -1.47 -1.94 112.91 118.43 3gxd h THR 187 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3gxd h THR 187 Cb 1.20 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 3gxd h THR 187 CO 0.54 0.00 -0.25 -0.46 -0.25 0.00 0.00 175.52 175.10 3gxd n ASN 188 N -3.64 1.66 -0.58 5.36 6.94 -1.26 -5.02 115.26 118.72 3gxd n ASN 188 Ca 0.09 -1.33 -0.08 0.00 -0.02 0.00 0.00 54.58 53.25 3gxd n ASN 188 Cb 0.73 0.39 -0.03 0.00 -2.36 0.00 0.00 39.78 38.51 3gxd n ASN 188 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gxd n GLY 189 N 1.05 0.96 3.17 4.83 0.00 -0.73 -5.01 105.19 109.46 3gxd n GLY 189 Ca 0.07 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 3gxd n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxd s ALA 190 N -2.26 -0.19 0.47 4.61 0.00 -1.26 -4.92 121.76 118.21 3gxd s ALA 190 Ca 0.00 -0.51 0.22 0.00 0.00 0.00 0.00 51.96 51.67 3gxd s ALA 190 Cb 0.00 0.34 1.35 0.00 0.00 0.00 0.00 23.12 24.81 3gxd s ALA 190 CO 0.00 -0.40 2.09 -0.39 0.00 0.00 0.00 175.76 177.06 3gxd h VAL 191 N 3.27 0.79 -2.70 0.00 -1.51 -1.91 -3.45 116.25 110.74 3gxd h VAL 191 Ca -0.33 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 64.72 3gxd h VAL 191 Cb 1.19 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 3gxd h VAL 191 CO 0.52 0.11 0.00 -0.46 -1.23 0.00 0.00 177.57 176.51 3gxd n ASN 192 N -4.00 1.65 -0.17 4.19 0.23 -1.26 -1.61 115.26 114.29 3gxd n ASN 192 Ca -0.02 -0.05 0.02 0.00 -0.53 0.00 0.00 54.58 53.99 3gxd n ASN 192 Cb 0.20 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.89 3gxd n ASN 192 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gxd n GLY 193 N 4.13 -2.14 3.76 4.83 0.00 0.06 -4.81 105.19 111.03 3gxd n GLY 193 Ca 0.00 -1.45 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 3gxd n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gxd s LYS 194 N -0.80 4.47 0.00 1.61 2.20 -1.15 -4.57 119.74 121.51 3gxd s LYS 194 Ca 0.00 1.93 0.00 0.00 -0.36 0.00 0.00 55.97 57.54 3gxd s LYS 194 Cb 0.00 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 3gxd s LYS 194 CO 0.00 0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.41 3gxd n GLY 195 N 0.98 4.25 0.00 5.54 0.00 -0.61 -4.65 105.19 110.70 3gxd n GLY 195 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3gxd n GLY 195 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gxd n SER 196 N 0.00 0.91 -4.75 1.61 3.41 -1.26 -1.39 113.62 112.15 3gxd n SER 196 Ca 0.00 -0.91 -0.38 0.00 -0.26 0.00 0.00 58.87 57.32 3gxd n SER 196 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 3gxd n SER 196 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gxd s LEU 197 N 0.00 3.86 0.66 1.04 1.43 -1.26 -1.34 118.68 123.07 3gxd s LEU 197 Ca 0.00 2.61 -0.15 0.00 -1.03 0.00 0.00 54.13 55.56 3gxd s LEU 197 Cb 0.00 -4.31 0.00 0.00 0.03 0.00 0.00 46.19 41.91 3gxd s LEU 197 CO 0.00 -1.43 1.13 -0.54 0.23 0.00 0.00 176.35 175.74 3gxd s LYS 198 N -2.91 2.73 7.32 1.70 1.02 0.09 -4.62 119.74 125.07 3gxd s LYS 198 Ca 0.70 1.48 0.00 0.00 0.02 0.00 0.00 55.97 58.17 3gxd s LYS 198 Cb -0.36 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 3gxd s LYS 198 CO 0.43 -1.32 0.00 0.41 -0.92 0.00 0.00 175.35 173.95 3gxd n GLY 199 N -0.30 2.42 3.40 -3.33 0.00 -1.26 -4.63 105.19 101.50 3gxd n GLY 199 Ca 0.11 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 3gxd n GLY 199 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gxd s GLN 200 N 0.00 0.50 0.27 1.61 2.00 -1.26 -5.12 119.66 117.66 3gxd s GLN 200 Ca 0.00 0.95 -0.29 0.00 -2.00 0.00 0.00 55.36 54.02 3gxd s GLN 200 Cb 0.00 0.05 -0.14 0.00 0.80 0.00 0.00 33.01 33.72 3gxd s GLN 200 CO 0.00 -0.16 1.05 -2.30 -0.50 0.00 0.00 175.29 173.38 3gxd n PRO 201 N 4.33 1.37 0.00 1.67 -0.02 -1.26 -1.70 135.00 139.39 3gxd n PRO 201 Ca -0.22 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3gxd n PRO 201 Cb 0.56 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3gxd n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxd n GLY 202 N 1.36 1.87 3.59 -1.23 0.00 -1.26 -5.05 105.19 104.47 3gxd n GLY 202 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 3gxd n GLY 202 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gxd n ASP 203 N 0.00 1.06 -0.31 1.61 5.75 -0.69 -4.73 116.55 119.25 3gxd n ASP 203 Ca 0.00 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 3gxd n ASP 203 Cb 0.00 -0.66 0.13 0.00 -1.03 0.00 0.00 41.12 39.56 3gxd n ASP 203 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 3gxd h ILE 204 N -0.78 1.06 0.09 2.12 6.09 -1.96 0.59 117.51 124.72 3gxd h ILE 204 Ca -0.32 -0.33 -0.00 0.00 -1.37 0.00 0.00 64.86 62.83 3gxd h ILE 204 Cb 1.13 -0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.42 3gxd h ILE 204 CO 0.32 0.18 -0.05 1.88 -3.07 0.00 0.00 178.15 177.41 3gxd h TYR 205 N 0.97 -0.12 -0.37 2.19 0.05 -1.91 0.15 116.97 117.93 3gxd h TYR 205 Ca 0.36 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.12 3gxd h TYR 205 Cb 0.14 0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.90 3gxd h TYR 205 CO -0.03 0.02 0.17 0.45 -1.05 0.00 0.00 178.16 177.71 3gxd h HIS 206 N -0.23 0.55 -0.94 4.88 3.86 -1.61 -0.26 115.15 121.40 3gxd h HIS 206 Ca -0.01 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.18 3gxd h HIS 206 Cb 0.19 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.44 3gxd h HIS 206 CO -0.04 0.48 0.62 1.96 0.86 0.00 0.00 177.93 181.81 3gxd h GLN 207 N 0.46 1.21 -0.11 2.45 1.08 0.23 -1.82 115.11 118.61 3gxd h GLN 207 Ca 0.13 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 3gxd h GLN 207 Cb 0.15 -0.27 -0.00 0.00 -0.05 0.00 0.00 27.48 27.30 3gxd h GLN 207 CO -0.01 0.80 0.02 1.15 -0.95 0.00 0.00 178.83 179.84 3gxd h THR 208 N 1.24 1.20 -0.84 -0.54 2.02 -0.10 -0.40 112.91 115.49 3gxd h THR 208 Ca 0.36 -0.64 0.03 0.00 0.77 0.00 0.00 66.41 66.93 3gxd h THR 208 Cb -0.09 1.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 3gxd h THR 208 CO -0.09 0.18 0.55 -0.25 0.37 0.00 0.00 175.52 176.29 3gxd h TRP 209 N -0.04 1.01 -0.16 3.16 -0.00 -0.88 0.17 115.95 119.21 3gxd h TRP 209 Ca 0.03 0.02 -0.05 0.00 -0.00 0.00 0.00 58.89 58.89 3gxd h TRP 209 Cb 0.27 -0.34 -0.00 0.00 -0.00 0.00 0.00 29.16 29.09 3gxd h TRP 209 CO 0.01 0.59 -0.11 0.00 -0.00 0.00 0.00 178.44 178.93 3gxd h ALA 210 N 1.51 0.23 -0.82 2.65 0.00 -1.18 -2.52 119.26 119.13 3gxd h ALA 210 Ca 0.34 -0.30 0.22 0.00 0.00 0.00 0.00 54.91 55.17 3gxd h ALA 210 Cb 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3gxd h ALA 210 CO -0.10 0.07 0.57 0.00 0.00 0.00 0.00 179.25 179.80 3gxd h ARG 211 N 0.02 0.14 -0.17 0.00 3.08 0.08 -1.51 114.38 116.03 3gxd h ARG 211 Ca 0.03 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.10 3gxd h ARG 211 Cb 0.61 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 3gxd h ARG 211 CO 0.03 0.09 0.03 -0.92 -1.07 0.00 0.00 179.97 178.13 3gxd h TYR 212 N 0.14 0.05 -0.52 3.04 3.20 -0.56 0.14 116.97 122.47 3gxd h TYR 212 Ca 0.41 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.37 3gxd h TYR 212 Cb 1.38 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 39.54 3gxd h TYR 212 CO -0.00 0.02 -0.39 0.74 -1.64 0.00 0.00 178.16 176.89 3gxd h PHE 213 N 0.10 -1.11 -0.92 -3.82 -1.00 -1.18 0.84 116.94 109.86 3gxd h PHE 213 Ca 0.08 0.07 0.04 0.00 2.81 0.00 0.00 57.97 60.97 3gxd h PHE 213 Cb 0.07 0.56 -0.06 0.00 3.61 0.00 0.00 35.95 40.14 3gxd h PHE 213 CO -0.13 -0.41 0.59 0.28 -1.61 0.00 0.00 178.31 177.03 3gxd h VAL 214 N -0.23 1.14 -0.02 -0.55 2.07 -0.68 -0.20 116.25 117.78 3gxd h VAL 214 Ca 0.19 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.34 3gxd h VAL 214 Cb 0.56 -0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 3gxd h VAL 214 CO -0.64 0.21 -0.18 0.11 0.02 0.00 0.00 177.57 177.09 3gxd h LYS 215 N 1.14 -0.27 -0.34 1.57 1.79 -0.76 0.82 116.57 120.53 3gxd h LYS 215 Ca 0.37 0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.91 3gxd h LYS 215 Cb 0.02 0.06 -0.08 0.00 -1.58 0.00 0.00 32.23 30.65 3gxd h LYS 215 CO -0.13 -0.18 -0.47 0.35 -1.08 0.00 0.00 179.45 177.95 3gxd h PHE 216 N -0.28 -1.38 -0.92 -1.35 3.57 0.93 0.20 116.94 117.72 3gxd h PHE 216 Ca 0.06 0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.68 3gxd h PHE 216 Cb 0.37 0.65 -0.06 0.00 2.79 0.00 0.00 35.95 39.70 3gxd h PHE 216 CO -0.24 -0.47 0.60 -0.07 -2.23 0.00 0.00 178.31 175.90 3gxd h LEU 217 N -0.40 0.96 0.02 0.59 3.38 -0.98 -0.54 115.31 118.35 3gxd h LEU 217 Ca 0.10 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3gxd h LEU 217 Cb 0.61 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3gxd h LEU 217 CO -0.54 0.64 -0.06 0.44 0.09 0.00 0.00 178.44 179.01 3gxd h ASP 218 N 1.10 -0.17 -0.56 -0.43 3.32 0.18 -1.34 116.42 118.52 3gxd h ASP 218 Ca 0.38 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.38 3gxd h ASP 218 Cb 0.10 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3gxd h ASP 218 CO -0.13 -0.09 0.06 0.00 -1.72 0.00 0.00 179.24 177.35 3gxd h ALA 219 N 0.85 0.75 0.00 3.45 0.00 -0.21 -2.10 119.26 122.00 3gxd h ALA 219 Ca 0.02 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3gxd h ALA 219 Cb 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3gxd h ALA 219 CO -0.05 0.53 -0.24 1.88 0.00 0.00 0.00 179.25 181.38 3gxd h TYR 220 N 0.84 0.00 0.00 0.00 -1.99 -1.02 -3.06 116.97 111.74 3gxd h TYR 220 Ca 0.17 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.79 3gxd h TYR 220 Cb 0.46 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.18 3gxd h TYR 220 CO 0.03 0.24 -0.49 0.00 -0.00 0.00 0.00 178.16 177.94 3gxd h ALA 221 N 1.76 0.88 0.00 3.88 0.00 -0.55 -2.08 119.26 123.16 3gxd h ALA 221 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3gxd h ALA 221 Cb 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3gxd h ALA 221 CO 0.03 0.61 0.00 0.39 0.00 0.00 0.00 179.25 180.29 3gxd n GLU 222 N -3.51 0.07 -0.49 0.00 1.02 -1.08 -1.27 120.64 115.38 3gxd n GLU 222 Ca 0.00 0.08 0.10 0.00 -0.02 0.00 0.00 57.16 57.32 3gxd n GLU 222 Cb 0.60 -1.50 0.33 0.00 -0.02 0.00 0.00 31.44 30.86 3gxd n GLU 222 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3gxd n HIS 223 N -1.46 1.22 -2.58 -0.32 8.25 -0.81 -4.95 115.22 114.57 3gxd n HIS 223 Ca 0.07 -0.57 -0.14 0.00 -0.26 0.00 0.00 57.72 56.82 3gxd n HIS 223 Cb 0.27 -0.13 0.01 0.00 1.12 0.00 0.00 29.99 31.25 3gxd n HIS 223 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gxd n LYS 224 N 1.29 -2.50 -4.92 -0.41 5.02 -0.40 -5.03 118.16 111.22 3gxd n LYS 224 Ca 0.25 0.63 -0.33 0.00 -2.02 0.00 0.00 58.31 56.84 3gxd n LYS 224 Cb 0.76 -4.86 -0.15 0.00 -0.02 0.00 0.00 35.03 30.76 3gxd n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gxd s LEU 225 N -4.36 2.56 0.10 -0.35 1.43 -1.02 -5.02 118.68 112.03 3gxd s LEU 225 Ca 0.13 -0.35 0.10 0.00 -1.03 0.00 0.00 54.13 52.98 3gxd s LEU 225 Cb -0.06 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 3gxd s LEU 225 CO 0.16 0.21 -0.26 -1.10 0.23 0.00 0.00 176.35 175.59 3gxd s GLN 226 N 0.08 1.50 -0.00 1.70 -1.52 -1.26 -3.34 119.66 116.81 3gxd s GLN 226 Ca -0.07 -1.26 -0.02 0.00 -1.95 0.00 0.00 55.36 52.06 3gxd s GLN 226 Cb -0.15 -1.89 -0.04 0.00 -0.22 0.00 0.00 33.01 30.71 3gxd s GLN 226 CO 0.05 0.46 0.15 -0.06 -0.25 0.00 0.00 175.29 175.64 3gxd s PHE 227 N -0.99 3.47 -0.04 0.91 0.40 -1.26 -4.54 117.98 115.93 3gxd s PHE 227 Ca 0.13 0.30 -0.15 0.00 -0.60 0.00 0.00 56.93 56.61 3gxd s PHE 227 Cb -0.10 -1.79 -0.32 0.00 0.51 0.00 0.00 43.02 41.32 3gxd s PHE 227 CO 0.05 0.62 0.77 2.35 0.70 0.00 0.00 175.22 179.70 3gxd h TRP 228 N 3.84 0.74 -2.86 0.36 7.01 -1.25 -3.43 115.95 120.35 3gxd h TRP 228 Ca -0.49 -0.54 -0.07 0.00 2.11 0.00 0.00 58.89 59.90 3gxd h TRP 228 Cb 1.18 -0.03 -0.17 0.00 -2.10 0.00 0.00 29.16 28.05 3gxd h TRP 228 CO 0.66 1.58 -0.04 0.00 -2.79 0.00 0.00 178.44 177.85 3gxd s ALA 229 N -2.55 -1.17 0.34 2.65 0.00 -1.03 -2.10 121.76 117.90 3gxd s ALA 229 Ca -0.14 0.50 0.09 0.00 0.00 0.00 0.00 51.96 52.40 3gxd s ALA 229 Cb 0.04 0.32 -0.05 0.00 0.00 0.00 0.00 23.12 23.43 3gxd s ALA 229 CO 0.86 -0.46 0.00 0.14 0.00 0.00 0.00 175.76 176.31 3gxd s VAL 230 N -2.30 2.62 0.32 0.00 -7.23 -0.32 -1.95 120.40 111.53 3gxd s VAL 230 Ca -0.06 -1.99 0.09 0.00 -1.81 0.00 0.00 61.98 58.20 3gxd s VAL 230 Cb -0.01 -2.78 -0.05 0.00 0.56 0.00 0.00 36.38 34.11 3gxd s VAL 230 CO -0.01 -0.21 0.06 0.42 -0.31 0.00 0.00 175.10 175.06 3gxd s THR 231 N -2.52 3.07 0.17 5.32 -4.23 -0.15 -1.45 115.64 115.85 3gxd s THR 231 Ca 0.34 -1.83 0.24 0.00 -1.18 0.00 0.00 61.69 59.26 3gxd s THR 231 Cb -0.00 -2.89 0.24 0.00 1.34 0.00 0.00 72.50 71.18 3gxd s THR 231 CO 0.19 -0.25 1.85 0.00 -0.54 0.00 0.00 174.62 175.87 3gxd h ALA 232 N 1.72 1.05 0.00 3.99 0.00 -1.34 -3.44 119.26 121.24 3gxd h ALA 232 Ca -0.44 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3gxd h ALA 232 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3gxd h ALA 232 CO 0.63 0.27 0.00 -1.91 0.00 0.00 0.00 179.25 178.24 3gxd n GLU 233 N -3.42 0.00 -2.00 0.00 4.07 -1.26 -4.93 120.64 113.10 3gxd n GLU 233 Ca -0.00 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.68 3gxd n GLU 233 Cb 0.41 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.76 3gxd n GLU 233 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 3gxd s ASN 234 N 0.00 6.65 -1.20 4.31 2.47 -0.43 -3.87 114.94 122.87 3gxd s ASN 234 Ca 0.00 2.58 -0.33 0.00 0.42 0.00 0.00 52.86 55.53 3gxd s ASN 234 Cb 0.00 -2.60 0.04 0.00 -1.45 0.00 0.00 41.25 37.24 3gxd s ASN 234 CO 0.00 -0.75 0.68 -0.62 -3.72 0.00 0.00 177.10 172.69 3gxd n GLU 235 N 3.46 -0.31 0.10 0.43 4.71 -0.13 -4.77 120.64 124.13 3gxd n GLU 235 Ca 0.11 0.11 0.05 0.00 -0.01 0.00 0.00 57.16 57.42 3gxd n GLU 235 Cb 0.40 -2.52 0.49 0.00 -1.01 0.00 0.00 31.44 28.80 3gxd n GLU 235 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 3gxd h PRO 236 N -2.53 0.33 -0.80 3.49 0.13 -1.75 -1.16 132.00 129.72 3gxd h PRO 236 Ca -0.71 -0.03 0.05 0.00 -0.87 0.00 0.00 66.00 64.44 3gxd h PRO 236 Cb 1.41 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.42 3gxd h PRO 236 CO 0.51 0.25 0.52 0.66 -0.23 0.00 0.00 178.00 179.71 3gxd h SER 237 N 0.34 0.80 -0.73 1.44 4.64 -1.87 -2.53 113.55 115.63 3gxd h SER 237 Ca 0.09 -0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.57 3gxd h SER 237 Cb 0.01 -0.17 -0.13 0.00 -0.31 0.00 0.00 62.40 61.79 3gxd h SER 237 CO -0.02 0.53 -0.05 0.00 -0.87 0.00 0.00 176.83 176.42 3gxd h ALA 238 N 1.55 0.67 0.00 5.18 0.00 -1.55 -1.64 119.26 123.47 3gxd h ALA 238 Ca 0.33 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.49 3gxd h ALA 238 Cb 0.15 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3gxd h ALA 238 CO -0.11 -0.42 0.00 0.41 0.00 0.00 0.00 179.25 179.13 3gxd n GLY 239 N -1.43 -0.53 1.07 0.00 0.00 -1.14 -2.11 105.19 101.04 3gxd n GLY 239 Ca 0.12 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.23 3gxd n GLY 239 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gxd n LEU 240 N -0.58 3.37 -4.42 0.99 4.77 -0.62 -1.57 117.00 118.94 3gxd n LEU 240 Ca 0.02 -1.58 -0.33 0.00 -0.03 0.00 0.00 56.01 54.09 3gxd n LEU 240 Cb 0.01 -0.26 -0.14 0.00 -2.33 0.00 0.00 43.42 40.70 3gxd n LEU 240 CO 0.01 0.75 -0.44 -0.76 -1.33 0.00 0.00 177.39 175.63 3gxd s LEU 241 N -1.33 2.80 0.28 2.23 1.43 -0.90 -4.95 118.68 118.25 3gxd s LEU 241 Ca 0.36 -0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 52.91 3gxd s LEU 241 Cb 0.21 -1.62 -0.10 0.00 0.03 0.00 0.00 46.19 44.71 3gxd s LEU 241 CO 0.29 0.22 1.46 -0.55 0.23 0.00 0.00 176.35 178.00 3gxd s SER 242 N 0.02 6.57 -0.18 2.29 0.15 -1.26 -2.93 113.70 118.36 3gxd s SER 242 Ca -0.04 2.77 0.00 0.00 0.70 0.00 0.00 55.95 59.39 3gxd s SER 242 Cb -0.14 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 3gxd s SER 242 CO 0.04 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.35 3gxd n GLY 243 N 1.82 0.45 3.66 9.45 0.00 -1.26 -4.87 105.19 114.44 3gxd n GLY 243 Ca 0.06 -0.14 -0.50 0.00 0.00 0.00 0.00 46.02 45.44 3gxd n GLY 243 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gxd n TYR 244 N -2.64 2.07 0.16 1.61 9.36 -1.17 -4.78 117.16 121.78 3gxd n TYR 244 Ca -0.02 0.33 0.08 0.00 3.32 0.00 0.00 57.90 61.61 3gxd n TYR 244 Cb 0.21 -2.51 0.08 0.00 -0.63 0.00 0.00 39.34 36.49 3gxd n TYR 244 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3gxd h PRO 245 N 6.62 0.00 0.00 2.98 0.14 -1.94 0.21 132.00 140.01 3gxd h PRO 245 Ca -0.47 0.00 -0.59 0.00 0.14 0.00 0.00 66.00 65.08 3gxd h PRO 245 Cb 1.29 0.00 -0.08 0.00 0.14 0.00 0.00 31.00 32.35 3gxd h PRO 245 CO 0.89 0.17 -0.34 1.19 0.14 0.00 0.00 178.00 180.05 3gxd n PHE 246 N -3.05 0.10 -1.87 1.56 3.01 -1.26 -4.91 117.46 111.03 3gxd n PHE 246 Ca 0.02 -2.31 -0.41 0.00 1.01 0.00 0.00 57.45 55.75 3gxd n PHE 246 Cb 0.62 -0.39 -0.02 0.00 -0.01 0.00 0.00 39.48 39.69 3gxd n PHE 246 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3gxd s GLN 247 N -4.01 4.17 0.03 -1.08 1.11 -1.26 -4.35 119.66 114.28 3gxd s GLN 247 Ca 0.18 2.48 -0.29 0.00 0.01 0.00 0.00 55.36 57.74 3gxd s GLN 247 Cb -0.01 -3.04 0.11 0.00 -1.01 0.00 0.00 33.01 29.05 3gxd s GLN 247 CO 0.11 -0.53 1.19 0.00 0.01 0.00 0.00 175.29 176.08 3gxd s LEU 249 N -2.95 -0.99 0.26 0.00 2.96 -1.04 -4.48 118.68 112.43 3gxd s LEU 249 Ca 0.13 -0.06 -0.31 0.00 -0.22 0.00 0.00 54.13 53.67 3gxd s LEU 249 Cb 0.03 1.39 -0.12 0.00 0.50 0.00 0.00 46.19 47.99 3gxd s LEU 249 CO -0.02 -0.33 1.60 0.61 -1.32 0.00 0.00 176.35 176.90 3gxd n GLY 250 N 5.38 1.31 2.96 7.98 0.00 -0.48 -4.64 105.19 117.69 3gxd n GLY 250 Ca 0.01 0.51 -0.18 0.00 0.00 0.00 0.00 46.02 46.36 3gxd n GLY 250 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxd s PHE 251 N 0.31 0.65 0.60 1.61 0.40 -0.97 -4.32 117.98 116.26 3gxd s PHE 251 Ca 0.68 -0.14 -0.09 0.00 -0.60 0.00 0.00 56.93 56.78 3gxd s PHE 251 Cb -0.52 -0.47 -0.02 0.00 0.51 0.00 0.00 43.02 42.51 3gxd s PHE 251 CO 0.44 -0.06 0.96 0.95 0.70 0.00 0.00 175.22 178.21 3gxd s THR 252 N 0.17 4.39 0.44 0.64 -4.23 -1.26 -4.12 115.64 111.68 3gxd s THR 252 Ca -0.02 0.51 0.17 0.00 -1.18 0.00 0.00 61.69 61.17 3gxd s THR 252 Cb -0.06 -3.74 0.36 0.00 1.34 0.00 0.00 72.50 70.40 3gxd s THR 252 CO -0.00 -0.88 1.93 -0.65 -0.54 0.00 0.00 174.62 174.48 3gxd h PRO 253 N -0.22 0.34 -0.17 3.99 0.11 -1.99 0.93 132.00 134.98 3gxd h PRO 253 Ca -0.45 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 3gxd h PRO 253 Cb 1.21 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3gxd h PRO 253 CO 0.62 0.23 -0.18 0.93 -0.21 0.00 0.00 178.00 179.39 3gxd h GLU 254 N 0.35 0.43 -0.13 1.05 3.07 -1.95 -1.15 114.58 116.25 3gxd h GLU 254 Ca 0.35 -0.23 0.02 0.00 -0.50 0.00 0.00 59.36 59.00 3gxd h GLU 254 Cb 0.86 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.76 3gxd h GLU 254 CO -0.10 0.80 0.02 1.25 -1.40 0.00 0.00 179.01 179.57 3gxd h HIS 255 N 0.07 0.02 -0.77 4.33 2.76 -1.58 0.28 115.15 120.26 3gxd h HIS 255 Ca 0.03 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.25 3gxd h HIS 255 Cb 0.72 0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.64 3gxd h HIS 255 CO 0.08 0.00 0.47 0.37 -1.30 0.00 0.00 177.93 177.56 3gxd h GLN 256 N 0.07 0.87 -0.48 5.26 4.15 -0.80 0.16 115.11 124.34 3gxd h GLN 256 Ca 0.06 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.44 3gxd h GLN 256 Cb 0.06 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 3gxd h GLN 256 CO -0.09 0.58 0.30 -0.09 -1.93 0.00 0.00 178.83 177.60 3gxd h ARG 257 N 0.90 0.58 -0.01 1.69 2.43 -0.38 -1.31 114.38 118.28 3gxd h ARG 257 Ca 0.32 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 59.25 3gxd h ARG 257 Cb 0.09 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3gxd h ARG 257 CO -0.14 0.39 -0.87 -0.44 -1.51 0.00 0.00 179.97 177.39 3gxd h ASP 258 N 0.60 0.37 -0.61 -3.80 3.32 -0.20 -1.49 116.42 114.61 3gxd h ASP 258 Ca 0.19 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 3gxd h ASP 258 Cb -0.02 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3gxd h ASP 258 CO -0.07 1.08 0.15 0.15 -1.72 0.00 0.00 179.24 178.83 3gxd h PHE 259 N 0.17 1.05 -0.08 4.55 3.57 -0.32 0.21 116.94 126.09 3gxd h PHE 259 Ca -0.05 -0.11 -0.13 0.00 3.53 0.00 0.00 57.97 61.20 3gxd h PHE 259 Cb 1.49 -0.30 0.01 0.00 2.79 0.00 0.00 35.95 39.94 3gxd h PHE 259 CO 0.04 0.86 -0.48 0.82 -2.23 0.00 0.00 178.31 177.32 3gxd h ILE 260 N 0.96 1.39 0.56 1.41 2.04 -1.03 0.57 117.51 123.41 3gxd h ILE 260 Ca 0.20 -1.85 -0.03 0.00 1.00 0.00 0.00 64.86 64.19 3gxd h ILE 260 Cb 0.34 2.30 0.01 0.00 -0.74 0.00 0.00 36.82 38.73 3gxd h ILE 260 CO 0.00 0.55 -0.27 0.00 0.00 0.00 0.00 178.15 178.43 3gxd h ALA 261 N 0.44 -0.76 0.00 1.87 0.00 -1.16 0.53 119.26 120.18 3gxd h ALA 261 Ca -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3gxd h ALA 261 Cb 1.14 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3gxd h ALA 261 CO 0.10 -0.87 -0.50 0.00 0.00 0.00 0.00 179.25 177.98 3gxd h ARG 262 N -0.87 0.00 0.00 0.00 2.47 -0.65 -3.41 114.38 111.93 3gxd h ARG 262 Ca -0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 3gxd h ARG 262 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 3gxd h ARG 262 CO 0.13 0.00 0.00 -0.25 0.56 0.00 0.00 179.97 180.41 3gxd n ASP 263 N -2.30 -0.01 -0.04 7.04 8.00 -0.55 -4.64 116.55 124.05 3gxd n ASP 263 Ca 0.03 0.19 -0.17 0.00 0.71 0.00 0.00 54.79 55.56 3gxd n ASP 263 Cb 0.46 0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.63 3gxd n ASP 263 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3gxd h LEU 264 N 0.00 0.93 0.17 0.64 5.85 -0.92 0.11 115.31 122.08 3gxd h LEU 264 Ca 0.00 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.12 3gxd h LEU 264 Cb 0.00 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3gxd h LEU 264 CO 0.00 1.37 -0.42 1.23 -0.34 0.00 0.00 178.44 180.28 3gxd h GLY 265 N 0.54 -1.17 1.06 3.75 0.00 -0.14 -1.68 103.07 105.42 3gxd h GLY 265 Ca -0.03 0.60 -0.06 0.00 0.00 0.00 0.00 47.33 47.84 3gxd h GLY 265 CO 0.14 -0.32 0.21 -2.55 0.00 0.00 0.00 176.54 174.02 3gxd h PRO 266 N -0.65 1.16 -0.58 4.80 0.11 -1.72 -1.73 132.00 133.39 3gxd h PRO 266 Ca -0.02 -0.26 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 3gxd h PRO 266 Cb 0.62 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.55 3gxd h PRO 266 CO -0.19 1.00 0.34 1.15 -0.21 0.00 0.00 178.00 180.09 3gxd h THR 267 N 1.10 1.18 -0.42 -1.15 2.02 -0.96 -0.16 112.91 114.52 3gxd h THR 267 Ca 0.23 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3gxd h THR 267 Cb 0.34 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 3gxd h THR 267 CO -0.00 0.19 0.28 -0.07 0.37 0.00 0.00 175.52 176.28 3gxd h LEU 268 N 0.78 0.49 -0.36 2.58 3.38 -1.07 -2.92 115.31 118.19 3gxd h LEU 268 Ca 0.21 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3gxd h LEU 268 Cb 0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3gxd h LEU 268 CO -0.04 0.36 0.23 0.00 0.09 0.00 0.00 178.44 179.08 3gxd h ALA 269 N 1.15 0.46 0.00 1.53 0.00 -0.82 -2.68 119.26 118.90 3gxd h ALA 269 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gxd h ALA 269 Cb -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3gxd h ALA 269 CO -0.03 -0.05 0.00 -1.71 0.00 0.00 0.00 179.25 177.46 3gxd n ASN 270 N -4.81 0.35 -4.97 0.00 5.15 -0.12 -4.67 115.26 106.20 3gxd n ASN 270 Ca -0.00 0.59 -0.21 0.00 -0.60 0.00 0.00 54.58 54.36 3gxd n ASN 270 Cb 0.04 -0.66 0.01 0.00 -0.53 0.00 0.00 39.78 38.64 3gxd n ASN 270 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3gxd s SER 271 N -3.65 5.77 0.00 1.20 1.04 -1.01 -4.99 113.70 112.05 3gxd s SER 271 Ca 0.05 0.04 0.16 0.00 0.48 0.00 0.00 55.95 56.67 3gxd s SER 271 Cb 0.09 -1.26 0.79 0.00 0.10 0.00 0.00 66.02 65.74 3gxd s SER 271 CO 0.31 -0.70 1.44 0.35 0.98 0.00 0.00 173.24 175.62 3gxd n THR 272 N -1.97 0.55 -1.38 2.02 -2.24 -1.26 -2.77 114.28 107.22 3gxd n THR 272 Ca 0.03 0.14 -0.23 0.00 -2.27 0.00 0.00 64.05 61.72 3gxd n THR 272 Cb 0.58 -0.88 0.14 0.00 -2.10 0.00 0.00 70.33 68.08 3gxd n THR 272 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3gxd n HIS 273 N -1.28 2.63 0.28 4.78 8.25 -1.26 -4.71 115.22 123.91 3gxd n HIS 273 Ca 0.07 -2.16 0.13 0.00 -0.26 0.00 0.00 57.72 55.51 3gxd n HIS 273 Cb 0.12 -0.93 0.84 0.00 1.12 0.00 0.00 29.99 31.14 3gxd n HIS 273 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3gxd h HIS 274 N 1.38 0.00 0.00 4.41 -0.00 -1.56 -2.04 115.15 117.34 3gxd h HIS 274 Ca 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.88 3gxd h HIS 274 Cb 1.90 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 29.31 3gxd h HIS 274 CO 1.36 0.00 -0.03 -0.91 -0.00 0.00 0.00 177.93 178.35 3gxd h ASN 275 N 0.00 0.00 -3.01 3.10 2.35 -1.89 -3.44 115.58 112.69 3gxd h ASN 275 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.23 3gxd h ASN 275 Cb 0.02 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.43 3gxd h ASN 275 CO -0.00 0.03 0.78 -0.69 -1.65 0.00 0.00 177.43 175.90 3gxd s VAL 276 N -3.90 2.98 0.63 2.81 1.01 -0.77 -4.97 120.40 118.18 3gxd s VAL 276 Ca -0.01 0.72 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 3gxd s VAL 276 Cb 0.11 -3.46 0.04 0.00 0.00 0.00 0.00 36.38 33.07 3gxd s VAL 276 CO 0.51 0.07 0.91 -0.13 0.00 0.00 0.00 175.10 176.47 3gxd s ARG 277 N 0.84 2.48 -0.03 2.72 1.81 -0.89 -4.88 118.95 121.00 3gxd s ARG 277 Ca 0.65 -0.34 0.03 0.00 -1.72 0.00 0.00 55.73 54.35 3gxd s ARG 277 Cb -0.40 -2.29 0.00 0.00 -0.45 0.00 0.00 34.95 31.82 3gxd s ARG 277 CO 0.33 -0.95 -0.11 -1.17 -0.68 0.00 0.00 175.30 172.73 3gxd s LEU 278 N -5.04 1.81 0.03 2.53 2.96 -1.26 -1.18 118.68 118.53 3gxd s LEU 278 Ca 0.57 -0.22 0.08 0.00 -0.22 0.00 0.00 54.13 54.35 3gxd s LEU 278 Cb -0.11 -0.63 -0.03 0.00 0.50 0.00 0.00 46.19 45.93 3gxd s LEU 278 CO 0.43 0.08 -0.23 -0.76 -1.32 0.00 0.00 176.35 174.55 3gxd s LEU 279 N 0.16 2.32 0.44 -0.68 1.43 -0.53 -0.52 118.68 121.31 3gxd s LEU 279 Ca -0.03 -0.51 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 3gxd s LEU 279 Cb -0.09 -1.37 0.01 0.00 0.03 0.00 0.00 46.19 44.76 3gxd s LEU 279 CO 0.01 0.27 0.49 0.00 0.23 0.00 0.00 176.35 177.35 3gxd s MET 280 N -1.21 2.61 0.03 1.70 0.23 -0.55 -0.87 119.30 121.24 3gxd s MET 280 Ca 0.12 -1.47 0.00 0.00 -1.03 0.00 0.00 55.69 53.32 3gxd s MET 280 Cb -0.10 -2.53 0.00 0.00 -1.53 0.00 0.00 34.83 30.67 3gxd s MET 280 CO 0.03 -0.32 0.00 -0.11 -2.03 0.00 0.00 175.02 172.59 3gxd n LEU 281 N -1.74 0.00 -3.79 0.18 7.94 -1.26 -0.69 117.00 117.63 3gxd n LEU 281 Ca 0.06 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.70 3gxd n LEU 281 Cb 0.61 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.57 3gxd n LEU 281 CO 0.41 0.00 -0.14 -0.67 -1.11 0.00 0.00 177.39 175.88 3gxd n ASP 282 N 3.62 -2.10 -3.82 1.96 -0.08 0.43 -4.30 116.55 112.26 3gxd n ASP 282 Ca 0.00 -0.95 -0.08 0.00 -1.51 0.00 0.00 54.79 52.25 3gxd n ASP 282 Cb 0.00 -3.48 -0.03 0.00 2.34 0.00 0.00 41.12 39.95 3gxd n ASP 282 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3gxd s ASP 283 N -4.09 -0.18 0.06 1.67 -1.08 -1.11 -0.96 116.67 110.97 3gxd s ASP 283 Ca 0.15 -0.74 -0.32 0.00 -0.52 0.00 0.00 52.55 51.11 3gxd s ASP 283 Cb -0.05 0.70 -0.17 0.00 -1.46 0.00 0.00 42.92 41.94 3gxd s ASP 283 CO 0.86 -1.32 0.80 0.00 0.52 0.00 0.00 175.17 176.03 3gxd n GLN 284 N -0.45 0.00 0.11 4.34 1.13 -1.26 -1.93 117.38 119.33 3gxd n GLN 284 Ca -0.04 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.15 3gxd n GLN 284 Cb 0.60 -1.20 0.46 0.00 0.11 0.00 0.00 30.24 30.20 3gxd n GLN 284 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 3gxd n ARG 285 N 1.20 0.21 0.31 -1.09 1.85 -1.23 -2.24 116.66 115.68 3gxd n ARG 285 Ca 0.17 0.33 0.19 0.00 -1.00 0.00 0.00 57.85 57.54 3gxd n ARG 285 Cb 0.12 -1.83 1.04 0.00 -1.05 0.00 0.00 32.46 30.74 3gxd n ARG 285 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 3gxd h LEU 286 N 0.00 0.00 0.00 2.89 4.07 -1.92 0.39 115.31 120.74 3gxd h LEU 286 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3gxd h LEU 286 Cb 0.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.25 3gxd h LEU 286 CO 0.00 0.01 0.00 0.18 -1.08 0.00 0.00 178.44 177.55 3gxd n LEU 287 N -3.39 0.00 -4.90 1.67 4.77 -0.95 -4.68 117.00 109.52 3gxd n LEU 287 Ca -0.03 0.24 -0.32 0.00 -0.03 0.00 0.00 56.01 55.87 3gxd n LEU 287 Cb 0.11 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 40.91 3gxd n LEU 287 CO 0.24 -0.16 -0.08 -0.76 -1.33 0.00 0.00 177.39 175.30 3gxd s LEU 288 N -2.48 4.34 0.00 2.23 1.43 0.12 -1.28 118.68 123.04 3gxd s LEU 288 Ca 0.11 0.44 0.27 0.00 -1.03 0.00 0.00 54.13 53.92 3gxd s LEU 288 Cb 0.07 -2.93 0.91 0.00 0.03 0.00 0.00 46.19 44.28 3gxd s LEU 288 CO 0.15 0.17 1.69 -0.81 0.23 0.00 0.00 176.35 177.79 3gxd n PRO 289 N 0.55 0.17 -0.26 1.29 -0.04 -1.26 -4.66 135.00 130.79 3gxd n PRO 289 Ca -0.07 -0.07 0.04 0.00 -0.04 0.00 0.00 63.50 63.37 3gxd n PRO 289 Cb 0.52 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.66 3gxd n PRO 289 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3gxd h HIS 290 N 0.16 0.55 -0.78 0.54 2.76 -1.89 -1.05 115.15 115.44 3gxd h HIS 290 Ca 0.00 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.24 3gxd h HIS 290 Cb 0.47 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.25 3gxd h HIS 290 CO 0.00 0.11 0.50 -1.49 -1.30 0.00 0.00 177.93 175.74 3gxd h TRP 291 N 0.49 0.93 -0.49 5.26 4.06 -1.55 -1.62 115.95 123.03 3gxd h TRP 291 Ca 0.40 0.02 -0.13 0.00 2.06 0.00 0.00 58.89 61.25 3gxd h TRP 291 Cb 0.57 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 3gxd h TRP 291 CO -0.15 0.53 -0.19 0.00 -3.56 0.00 0.00 178.44 175.08 3gxd h ALA 292 N 1.33 0.74 0.19 1.49 0.00 -1.50 -2.13 119.26 119.38 3gxd h ALA 292 Ca 0.31 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gxd h ALA 292 Cb 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3gxd h ALA 292 CO -0.11 0.67 -0.30 0.87 0.00 0.00 0.00 179.25 180.38 3gxd h LYS 293 N 0.85 -0.49 -0.60 0.00 1.57 -0.84 0.18 116.57 117.24 3gxd h LYS 293 Ca 0.12 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.05 3gxd h LYS 293 Cb 0.76 0.11 -0.12 0.00 0.08 0.00 0.00 32.23 33.06 3gxd h LYS 293 CO 0.06 -0.33 -0.24 0.28 -0.57 0.00 0.00 179.45 178.66 3gxd h VAL 294 N -0.51 0.28 -0.03 0.50 2.07 -1.27 -1.28 116.25 116.00 3gxd h VAL 294 Ca -0.02 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.39 3gxd h VAL 294 Cb 0.47 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3gxd h VAL 294 CO -0.10 0.00 -0.42 0.58 0.02 0.00 0.00 177.57 177.66 3gxd h VAL 295 N -0.08 1.45 0.10 2.57 2.07 -1.25 -3.38 116.25 117.72 3gxd h VAL 295 Ca 0.27 -1.91 -0.27 0.00 0.82 0.00 0.00 66.70 65.61 3gxd h VAL 295 Cb 0.51 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 3gxd h VAL 295 CO -0.66 0.55 -1.27 -0.07 0.02 0.00 0.00 177.57 176.14 3gxd h LEU 296 N -0.19 0.32 0.00 2.57 3.38 -0.28 -2.94 115.31 118.15 3gxd h LEU 296 Ca -0.04 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3gxd h LEU 296 Cb 1.11 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3gxd h LEU 296 CO 0.08 1.29 0.00 0.35 0.09 0.00 0.00 178.44 180.25 3gxd n THR 297 N -3.46 0.00 -3.62 0.22 -2.24 -0.52 -3.97 114.28 100.69 3gxd n THR 297 Ca -0.09 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.30 3gxd n THR 297 Cb 1.01 -0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 3gxd n THR 297 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gxd s ASP 298 N -1.78 5.57 0.51 3.42 -1.08 -1.11 -4.96 116.67 117.23 3gxd s ASP 298 Ca 0.07 -1.84 0.36 0.00 -0.52 0.00 0.00 52.55 50.62 3gxd s ASP 298 Cb 0.03 -1.96 1.50 0.00 -1.46 0.00 0.00 42.92 41.04 3gxd s ASP 298 CO 0.06 -0.62 1.72 1.55 0.52 0.00 0.00 175.17 178.40 3gxd h PRO 299 N 8.34 0.07 -0.63 4.34 0.13 -1.85 -1.15 132.00 141.25 3gxd h PRO 299 Ca -0.20 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.91 3gxd h PRO 299 Cb 1.07 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 3gxd h PRO 299 CO 0.80 0.05 0.31 0.93 -0.23 0.00 0.00 178.00 179.85 3gxd h GLU 300 N 0.08 0.90 -0.00 0.86 4.39 -1.92 -2.11 114.58 116.77 3gxd h GLU 300 Ca 0.69 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 60.23 3gxd h GLU 300 Cb 2.53 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 31.02 3gxd h GLU 300 CO -0.12 0.71 -0.14 0.00 -1.16 0.00 0.00 179.01 178.30 3gxd h ALA 301 N 1.14 0.02 -0.81 3.43 0.00 -1.56 -3.38 119.26 118.11 3gxd h ALA 301 Ca 0.22 -0.43 0.14 0.00 0.00 0.00 0.00 54.91 54.84 3gxd h ALA 301 Cb 0.11 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 3gxd h ALA 301 CO -0.03 -0.00 0.39 0.00 0.00 0.00 0.00 179.25 179.61 3gxd h ALA 302 N 0.26 1.19 0.00 0.00 0.00 -1.24 -1.43 119.26 118.05 3gxd h ALA 302 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gxd h ALA 302 Cb 0.89 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3gxd h ALA 302 CO 0.03 -0.12 0.26 1.57 0.00 0.00 0.00 179.25 180.99 3gxd h LYS 303 N 0.57 0.00 0.02 0.00 2.10 -1.55 -2.85 116.57 114.85 3gxd h LYS 303 Ca 0.44 0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 58.73 3gxd h LYS 303 Cb 0.63 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.90 3gxd h LYS 303 CO -0.37 0.00 -2.28 0.66 -2.00 0.00 0.00 179.45 175.46 3gxd n TYR 304 N -2.86 0.29 -2.38 0.07 0.53 -0.56 -4.93 117.16 107.32 3gxd n TYR 304 Ca -0.02 0.08 -0.43 0.00 -1.02 0.00 0.00 57.90 56.51 3gxd n TYR 304 Cb 0.31 -1.05 -0.02 0.00 -1.03 0.00 0.00 39.34 37.55 3gxd n TYR 304 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3gxd s VAL 305 N -2.52 4.17 -0.09 -0.72 1.01 -1.08 -4.41 120.40 116.75 3gxd s VAL 305 Ca -0.19 1.38 0.13 0.00 0.00 0.00 0.00 61.98 63.30 3gxd s VAL 305 Cb 0.07 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 3gxd s VAL 305 CO 0.74 -0.24 1.39 -0.74 0.00 0.00 0.00 175.10 176.26 3gxd h HIS 306 N 8.74 0.00 -1.60 5.22 2.76 -1.12 -3.48 115.15 125.67 3gxd h HIS 306 Ca -0.27 0.00 0.30 0.00 -2.20 0.00 0.00 60.37 58.20 3gxd h HIS 306 Cb 1.11 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 29.96 3gxd h HIS 306 CO 0.83 0.62 0.78 0.20 -1.30 0.00 0.00 177.93 179.06 3gxd s GLY 307 N -4.53 -0.38 -0.13 5.26 0.00 -1.17 -3.75 107.32 102.63 3gxd s GLY 307 Ca 0.03 0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.34 3gxd s GLY 307 CO 0.76 0.23 -0.14 -0.42 0.00 0.00 0.00 173.10 173.54 3gxd s ILE 308 N -2.54 3.00 -0.14 0.90 1.01 -0.17 -1.49 121.20 121.76 3gxd s ILE 308 Ca 0.14 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 60.05 3gxd s ILE 308 Cb 0.04 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 3gxd s ILE 308 CO -0.03 0.53 0.07 0.00 0.00 0.00 0.00 174.94 175.51 3gxd s ALA 309 N 0.33 3.52 0.30 9.38 0.00 0.13 -1.49 121.76 133.93 3gxd s ALA 309 Ca -0.11 -0.73 0.06 0.00 0.00 0.00 0.00 51.96 51.18 3gxd s ALA 309 Cb -0.16 -1.85 -0.06 0.00 0.00 0.00 0.00 23.12 21.05 3gxd s ALA 309 CO 0.06 0.39 -0.03 0.14 0.00 0.00 0.00 175.76 176.32 3gxd s VAL 310 N -0.29 1.60 0.08 0.00 -7.23 0.14 -0.43 120.40 114.28 3gxd s VAL 310 Ca 0.09 -2.09 0.04 0.00 -1.81 0.00 0.00 61.98 58.21 3gxd s VAL 310 Cb -0.12 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 3gxd s VAL 310 CO 0.01 -0.22 -0.12 -1.00 -0.31 0.00 0.00 175.10 173.47 3gxd s HIS 311 N -3.03 1.11 -0.02 2.82 3.76 -0.81 -0.83 115.29 118.28 3gxd s HIS 311 Ca 0.31 -0.56 -0.07 0.00 -0.15 0.00 0.00 55.06 54.60 3gxd s HIS 311 Cb 0.05 -0.61 0.01 0.00 1.11 0.00 0.00 32.58 33.14 3gxd s HIS 311 CO 0.13 0.03 0.15 -0.46 -0.85 0.00 0.00 174.74 173.74 3gxd s TRP 312 N -1.88 -0.05 -0.21 1.40 -0.00 -1.14 -3.52 118.94 113.54 3gxd s TRP 312 Ca 0.01 0.09 -0.18 0.00 -0.00 0.00 0.00 56.10 56.02 3gxd s TRP 312 Cb -0.06 -0.01 -0.03 0.00 -0.00 0.00 0.00 33.47 33.37 3gxd s TRP 312 CO 0.01 -0.21 0.52 0.71 -0.00 0.00 0.00 176.95 177.98 3gxd s TYR 313 N -0.80 3.35 -0.19 5.86 4.12 -1.26 -2.74 117.35 125.69 3gxd s TYR 313 Ca -0.09 0.74 0.17 0.00 0.02 0.00 0.00 57.07 57.91 3gxd s TYR 313 Cb -0.05 -2.68 0.15 0.00 -1.52 0.00 0.00 41.96 37.86 3gxd s TYR 313 CO 0.01 -0.14 1.49 -0.07 0.02 0.00 0.00 175.55 176.86 3gxd h LEU 314 N 8.11 0.00 -1.33 -1.29 -0.00 -1.76 -2.89 115.31 116.16 3gxd h LEU 314 Ca -0.33 0.00 0.12 0.00 -0.00 0.00 0.00 57.88 57.67 3gxd h LEU 314 Cb 1.15 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.75 3gxd h LEU 314 CO 0.74 0.41 0.54 0.44 -0.00 0.00 0.00 178.44 180.57 3gxd h ASP 315 N 0.00 0.65 -3.06 -0.43 5.19 -1.92 -3.44 116.42 113.41 3gxd h ASP 315 Ca -0.00 0.03 -0.18 0.00 -0.62 0.00 0.00 57.03 56.26 3gxd h ASP 315 Cb 1.30 -0.11 0.06 0.00 0.18 0.00 0.00 39.33 40.76 3gxd h ASP 315 CO 0.05 0.36 0.14 0.49 -3.12 0.00 0.00 179.24 177.17 3gxd n PHE 316 N -4.53 -3.82 -3.72 4.55 3.01 -1.09 -5.12 117.46 106.74 3gxd n PHE 316 Ca 0.15 -0.53 -0.12 0.00 1.01 0.00 0.00 57.45 57.97 3gxd n PHE 316 Cb 0.39 -0.39 -0.12 0.00 -0.01 0.00 0.00 39.48 39.36 3gxd n PHE 316 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3gxd s LEU 317 N 0.00 0.23 0.35 4.37 1.43 -1.26 -4.99 118.68 118.81 3gxd s LEU 317 Ca 0.30 0.73 0.09 0.00 -1.03 0.00 0.00 54.13 54.22 3gxd s LEU 317 Cb -0.01 1.11 -0.06 0.00 0.03 0.00 0.00 46.19 47.26 3gxd s LEU 317 CO 0.21 -0.17 -0.06 0.00 0.23 0.00 0.00 176.35 176.56 3gxd s ALA 318 N 1.12 3.05 0.07 4.21 0.00 -1.26 -5.08 121.76 123.87 3gxd s ALA 318 Ca -0.08 -2.08 -0.15 0.00 0.00 0.00 0.00 51.96 49.65 3gxd s ALA 318 Cb -0.08 -0.11 -0.20 0.00 0.00 0.00 0.00 23.12 22.73 3gxd s ALA 318 CO -0.09 0.05 1.22 -1.00 0.00 0.00 0.00 175.76 175.95 3gxd h PRO 319 N 1.94 0.68 0.00 0.00 0.13 -2.00 -3.48 132.00 129.26 3gxd h PRO 319 Ca -0.42 -0.64 0.00 0.00 -0.87 0.00 0.00 66.00 64.06 3gxd h PRO 319 Cb 1.25 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.54 3gxd h PRO 319 CO 0.71 1.24 0.00 0.00 -0.23 0.00 0.00 178.00 179.72 3gxd n ALA 320 N -2.62 0.00 0.03 -0.56 0.00 -1.26 -4.72 120.51 111.39 3gxd n ALA 320 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 3gxd n ALA 320 Cb 0.78 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.16 3gxd n ALA 320 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3gxd h LYS 321 N 0.00 0.02 0.00 0.00 1.63 -1.95 0.24 116.57 116.50 3gxd h LYS 321 Ca 0.00 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 3gxd h LYS 321 Cb 0.00 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3gxd h LYS 321 CO 0.00 0.02 -0.04 0.00 -3.45 0.00 0.00 179.45 175.98 3gxd h ALA 322 N 0.99 1.05 -2.93 5.00 0.00 -1.96 -0.62 119.26 120.80 3gxd h ALA 322 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gxd h ALA 322 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gxd h ALA 322 CO -0.00 0.05 0.00 0.25 0.00 0.00 0.00 179.25 179.55 3gxd n THR 323 N -3.21 0.00 -0.06 0.00 -2.24 -1.07 -4.32 114.28 103.38 3gxd n THR 323 Ca -0.01 0.01 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 3gxd n THR 323 Cb 0.24 -0.81 0.44 0.00 -2.10 0.00 0.00 70.33 68.10 3gxd n THR 323 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3gxd h LEU 324 N 0.00 0.47 0.37 3.22 3.38 -0.75 -1.01 115.31 120.99 3gxd h LEU 324 Ca 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3gxd h LEU 324 Cb 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3gxd h LEU 324 CO 0.00 0.31 -0.18 1.23 0.09 0.00 0.00 178.44 179.90 3gxd h GLY 325 N 0.54 -0.52 -0.14 0.83 0.00 -0.72 -1.48 103.07 101.58 3gxd h GLY 325 Ca 0.22 0.19 0.25 0.00 0.00 0.00 0.00 47.33 47.99 3gxd h GLY 325 CO -0.06 -0.19 0.62 -2.09 0.00 0.00 0.00 176.54 174.82 3gxd h GLU 326 N -1.01 0.51 -0.38 4.80 4.57 -1.13 -0.93 114.58 121.02 3gxd h GLU 326 Ca -0.05 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.03 3gxd h GLU 326 Cb 0.38 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 3gxd h GLU 326 CO 0.08 0.34 -0.04 1.15 -1.18 0.00 0.00 179.01 179.37 3gxd h THR 327 N 0.53 1.27 -0.02 0.32 2.02 -1.14 -1.98 112.91 113.91 3gxd h THR 327 Ca 0.63 -1.07 0.01 0.00 0.77 0.00 0.00 66.41 66.75 3gxd h THR 327 Cb 1.31 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 3gxd h THR 327 CO -0.42 0.36 -0.05 -0.74 0.37 0.00 0.00 175.52 175.04 3gxd h HIS 328 N 0.50 -0.12 -0.58 3.16 -0.00 -0.12 0.13 115.15 118.12 3gxd h HIS 328 Ca 0.10 0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.58 3gxd h HIS 328 Cb 0.53 0.06 -0.11 0.00 -0.00 0.00 0.00 27.41 27.88 3gxd h HIS 328 CO 0.04 -0.08 -0.29 -0.09 -0.00 0.00 0.00 177.93 177.51 3gxd h ARG 329 N -0.08 -0.13 -0.14 5.26 2.43 -1.02 -0.10 114.38 120.59 3gxd h ARG 329 Ca 0.03 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.06 3gxd h ARG 329 Cb 0.12 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3gxd h ARG 329 CO -0.07 -0.09 -0.54 -0.07 -1.51 0.00 0.00 179.97 177.69 3gxd h LEU 330 N -0.14 0.46 -5.85 3.80 3.38 -1.10 -3.38 115.31 112.48 3gxd h LEU 330 Ca 0.24 -0.24 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 3gxd h LEU 330 Cb 0.53 -0.13 -0.40 0.00 0.09 0.00 0.00 40.66 40.75 3gxd h LEU 330 CO -0.66 0.91 -0.98 0.49 0.09 0.00 0.00 178.44 178.30 3gxd n PHE 331 N -3.94 1.39 0.67 1.13 3.01 0.42 -4.93 117.46 115.20 3gxd n PHE 331 Ca -0.03 -3.85 0.05 0.00 1.01 0.00 0.00 57.45 54.64 3gxd n PHE 331 Cb 0.59 -0.44 0.31 0.00 -0.01 0.00 0.00 39.48 39.93 3gxd n PHE 331 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3gxd n PRO 332 N 0.46 0.33 -0.03 -1.08 -0.04 -0.11 -1.36 135.00 133.17 3gxd n PRO 332 Ca 0.26 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.74 3gxd n PRO 332 Cb 0.54 -1.48 0.03 0.00 -0.04 0.00 0.00 33.50 32.55 3gxd n PRO 332 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3gxd n ASN 333 N -0.98 2.16 -4.17 3.54 3.02 -1.26 -4.86 115.26 112.70 3gxd n ASN 333 Ca 0.08 -2.10 -0.35 0.00 -0.03 0.00 0.00 54.58 52.18 3gxd n ASN 333 Cb 0.04 -0.07 -0.14 0.00 -0.61 0.00 0.00 39.78 39.00 3gxd n ASN 333 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3gxd s THR 334 N -1.17 2.88 0.11 3.41 2.01 -0.46 -4.99 115.64 117.43 3gxd s THR 334 Ca 0.06 -1.30 -0.31 0.00 0.31 0.00 0.00 61.69 60.45 3gxd s THR 334 Cb 0.04 -2.60 -0.09 0.00 0.01 0.00 0.00 72.50 69.87 3gxd s THR 334 CO 0.02 -0.01 1.53 0.00 -0.69 0.00 0.00 174.62 175.48 3gxd s MET 335 N 1.26 4.24 0.30 4.92 0.23 -1.25 -4.64 119.30 124.37 3gxd s MET 335 Ca -0.04 2.24 -0.29 0.00 -1.03 0.00 0.00 55.69 56.57 3gxd s MET 335 Cb -0.19 -3.33 -0.10 0.00 -1.53 0.00 0.00 34.83 29.68 3gxd s MET 335 CO -0.02 -0.60 1.16 -0.51 -2.03 0.00 0.00 175.02 173.02 3gxd s LEU 336 N 1.65 4.50 -0.09 0.18 1.43 -1.26 -1.00 118.68 124.08 3gxd s LEU 336 Ca 0.69 2.39 -0.07 0.00 -1.03 0.00 0.00 54.13 56.11 3gxd s LEU 336 Cb -0.40 -3.66 0.03 0.00 0.03 0.00 0.00 46.19 42.20 3gxd s LEU 336 CO 0.31 -0.28 0.23 0.12 0.23 0.00 0.00 176.35 176.96 3gxd s PHE 337 N -1.17 -0.28 -0.35 0.29 5.36 -0.55 -0.16 117.98 121.11 3gxd s PHE 337 Ca 0.46 0.68 -0.14 0.00 -0.96 0.00 0.00 56.93 56.98 3gxd s PHE 337 Cb -0.34 0.07 -0.01 0.00 -0.34 0.00 0.00 43.02 42.40 3gxd s PHE 337 CO 0.44 -0.17 0.27 0.00 -1.46 0.00 0.00 175.22 174.31 3gxd s ALA 338 N 0.63 3.50 -0.98 11.12 0.00 -0.64 0.29 121.76 135.67 3gxd s ALA 338 Ca -0.04 -1.40 0.19 0.00 0.00 0.00 0.00 51.96 50.71 3gxd s ALA 338 Cb -0.06 -2.74 -0.19 0.00 0.00 0.00 0.00 23.12 20.14 3gxd s ALA 338 CO -0.04 -1.07 0.83 -1.13 0.00 0.00 0.00 175.76 174.35 3gxd n SER 339 N 5.17 0.98 -3.64 0.00 3.41 -0.01 0.69 113.62 120.23 3gxd n SER 339 Ca -0.12 -0.99 -0.10 0.00 -0.26 0.00 0.00 58.87 57.41 3gxd n SER 339 Cb 0.49 0.96 -0.07 0.00 -0.26 0.00 0.00 64.21 65.33 3gxd n SER 339 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3gxd s GLU 340 N -2.76 0.66 -0.01 4.33 2.12 -1.13 -4.65 118.70 117.26 3gxd s GLU 340 Ca 0.08 0.90 -0.07 0.00 0.36 0.00 0.00 54.97 56.24 3gxd s GLU 340 Cb 0.15 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.80 3gxd s GLU 340 CO 0.76 -0.10 0.14 0.00 -0.54 0.00 0.00 175.26 175.52 3gxd s ALA 341 N 0.75 -0.33 -0.15 6.30 0.00 -0.91 -2.89 121.76 124.53 3gxd s ALA 341 Ca -0.03 -0.02 -0.32 0.00 0.00 0.00 0.00 51.96 51.60 3gxd s ALA 341 Cb -0.05 0.03 0.13 0.00 0.00 0.00 0.00 23.12 23.24 3gxd s ALA 341 CO -0.08 -0.18 1.10 0.00 0.00 0.00 0.00 175.76 176.60 3gxd s VAL 343 N -2.05 5.45 0.00 0.00 -7.23 -1.26 -1.88 120.40 113.43 3gxd s VAL 343 Ca 0.05 0.27 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 3gxd s VAL 343 Cb -0.01 -3.44 0.00 0.00 0.56 0.00 0.00 36.38 33.49 3gxd s VAL 343 CO -0.04 0.58 0.00 0.61 -0.31 0.00 0.00 175.10 175.94 3gxd n GLY 344 N 2.22 -2.66 0.25 2.32 0.00 -1.26 -3.01 105.19 103.05 3gxd n GLY 344 Ca -0.19 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3gxd n GLY 344 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gxd n SER 345 N 0.00 -2.72 0.00 1.61 2.88 -1.20 -4.14 113.62 110.06 3gxd n SER 345 Ca 0.00 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 3gxd n SER 345 Cb 0.00 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 3gxd n SER 345 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3gxd n LYS 346 N -0.57 0.79 0.09 -1.46 4.76 0.37 -4.88 118.16 117.25 3gxd n LYS 346 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 3gxd n LYS 346 Cb 0.00 -0.60 0.31 0.00 -1.84 0.00 0.00 35.03 32.90 3gxd n LYS 346 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 3gxd n PHE 347 N -0.81 0.80 0.14 2.13 -1.74 -1.26 -4.84 117.46 111.87 3gxd n PHE 347 Ca 0.00 0.23 0.08 0.00 -0.56 0.00 0.00 57.45 57.20 3gxd n PHE 347 Cb 0.10 -0.84 0.42 0.00 1.52 0.00 0.00 39.48 40.68 3gxd n PHE 347 CO 0.00 0.00 0.00 -2.67 -0.56 0.00 0.00 176.76 173.53 3gxd n TRP 348 N -2.21 0.52 -4.32 2.97 2.14 -1.26 -3.29 117.44 111.98 3gxd n TRP 348 Ca 0.05 0.27 -0.34 0.00 2.07 0.00 0.00 57.50 59.55 3gxd n TRP 348 Cb 0.43 -0.84 -0.14 0.00 -0.81 0.00 0.00 31.31 29.96 3gxd n TRP 348 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 3gxd s GLU 349 N -3.36 3.41 -0.02 -2.67 2.02 -1.26 -5.07 118.70 111.75 3gxd s GLU 349 Ca -0.02 -0.64 -0.01 0.00 0.02 0.00 0.00 54.97 54.32 3gxd s GLU 349 Cb 0.04 -2.83 0.01 0.00 0.10 0.00 0.00 34.13 31.45 3gxd s GLU 349 CO 0.14 0.02 0.03 1.04 0.02 0.00 0.00 175.26 176.51 3gxd n GLN 350 N 4.11 -1.17 0.04 1.61 6.02 -1.21 -0.48 117.38 126.30 3gxd n GLN 350 Ca -0.18 1.25 -0.03 0.00 -0.01 0.00 0.00 57.00 58.02 3gxd n GLN 350 Cb 0.52 -1.73 -0.01 0.00 1.02 0.00 0.00 30.24 30.03 3gxd n GLN 350 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3gxd h SER 351 N 0.99 -0.16 -3.39 1.08 0.87 -1.87 -3.27 113.55 107.80 3gxd h SER 351 Ca -0.07 0.01 -0.55 0.00 -1.23 0.00 0.00 61.79 59.95 3gxd h SER 351 Cb 0.15 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.11 3gxd h SER 351 CO 0.00 0.29 0.13 -0.69 -0.53 0.00 0.00 176.83 176.03 3gxd s VAL 352 N -2.17 4.88 -0.22 2.23 1.01 -1.26 -2.83 120.40 122.05 3gxd s VAL 352 Ca -0.03 1.56 -0.03 0.00 0.00 0.00 0.00 61.98 63.47 3gxd s VAL 352 Cb 0.00 -4.09 0.07 0.00 0.00 0.00 0.00 36.38 32.37 3gxd s VAL 352 CO 0.09 0.31 0.07 -0.60 0.00 0.00 0.00 175.10 174.97 3gxd s ARG 353 N 0.36 0.42 -0.21 2.72 3.52 -1.26 -5.02 118.95 119.46 3gxd s ARG 353 Ca 0.39 -0.43 -0.27 0.00 -0.13 0.00 0.00 55.73 55.29 3gxd s ARG 353 Cb -0.19 -1.86 -0.00 0.00 -1.56 0.00 0.00 34.95 31.34 3gxd s ARG 353 CO 0.21 -0.76 0.94 -0.51 -0.81 0.00 0.00 175.30 174.37 3gxd s LEU 354 N 1.95 4.12 0.00 -0.88 1.43 -1.26 -3.36 118.68 120.67 3gxd s LEU 354 Ca 0.03 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 3gxd s LEU 354 Cb -0.17 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.67 3gxd s LEU 354 CO -0.15 -0.56 0.00 0.61 0.23 0.00 0.00 176.35 176.48 3gxd n GLY 355 N 3.46 0.70 3.65 -3.19 0.00 -1.26 -4.30 105.19 104.25 3gxd n GLY 355 Ca 0.08 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 3gxd n GLY 355 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gxd s SER 356 N -2.70 6.94 0.05 1.61 0.15 -1.21 0.33 113.70 118.88 3gxd s SER 356 Ca 0.00 1.35 -0.20 0.00 0.70 0.00 0.00 55.95 57.80 3gxd s SER 356 Cb 0.00 -2.54 -0.13 0.00 -1.71 0.00 0.00 66.02 61.64 3gxd s SER 356 CO 0.00 -0.82 1.40 -0.25 1.20 0.00 0.00 173.24 174.77 3gxd h TRP 357 N 8.13 0.42 -0.87 3.44 2.91 -1.91 -3.14 115.95 124.92 3gxd h TRP 357 Ca -0.23 -0.11 0.10 0.00 1.13 0.00 0.00 58.89 59.78 3gxd h TRP 357 Cb 1.08 -0.10 -0.12 0.00 -0.51 0.00 0.00 29.16 29.52 3gxd h TRP 357 CO 0.81 0.69 -0.46 -0.25 -1.03 0.00 0.00 178.44 178.20 3gxd n ASP 358 N -4.59 -0.81 0.24 2.65 9.92 -1.26 -0.50 116.55 122.19 3gxd n ASP 358 Ca -0.05 1.54 0.07 0.00 -0.53 0.00 0.00 54.79 55.82 3gxd n ASP 358 Cb 0.32 -0.25 0.58 0.00 -0.64 0.00 0.00 41.12 41.14 3gxd n ASP 358 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 3gxd h ARG 359 N 0.00 0.00 -0.31 -1.24 3.08 -1.97 0.63 114.38 114.56 3gxd h ARG 359 Ca 0.19 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.26 3gxd h ARG 359 Cb 0.41 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 3gxd h ARG 359 CO -0.83 0.12 0.15 0.78 -1.07 0.00 0.00 179.97 179.12 3gxd h GLY 360 N 0.39 0.42 2.00 0.04 0.00 -0.75 -3.05 103.07 102.12 3gxd h GLY 360 Ca -0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 3gxd h GLY 360 CO 0.02 0.09 -0.46 -0.33 0.00 0.00 0.00 176.54 175.85 3gxd h MET 361 N 0.32 0.00 -0.28 4.80 2.86 0.41 -2.61 114.93 120.44 3gxd h MET 361 Ca 0.13 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.62 3gxd h MET 361 Cb 0.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3gxd h MET 361 CO -0.09 0.46 -0.43 1.96 1.06 0.00 0.00 176.91 179.87 3gxd h GLN 362 N 0.00 0.70 0.44 1.72 4.20 -1.38 0.18 115.11 120.96 3gxd h GLN 362 Ca -0.00 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.31 3gxd h GLN 362 Cb 0.90 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.71 3gxd h GLN 362 CO 0.06 0.99 -0.21 1.88 -0.67 0.00 0.00 178.83 180.88 3gxd h TYR 363 N 0.56 -0.54 -0.24 2.96 -1.99 -1.36 0.57 116.97 116.93 3gxd h TYR 363 Ca 0.04 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.72 3gxd h TYR 363 Cb 0.97 0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.88 3gxd h TYR 363 CO 0.05 -0.31 0.00 0.66 -0.00 0.00 0.00 178.16 178.56 3gxd h SER 364 N -0.63 0.42 -0.82 3.88 4.64 -1.44 0.24 113.55 119.84 3gxd h SER 364 Ca -0.06 -0.31 0.04 0.00 -0.47 0.00 0.00 61.79 60.99 3gxd h SER 364 Cb 0.47 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.40 3gxd h SER 364 CO 0.10 0.62 0.54 -0.74 -0.87 0.00 0.00 176.83 176.48 3gxd h HIS 365 N 0.20 0.98 0.00 4.77 -0.00 -0.63 0.25 115.15 120.72 3gxd h HIS 365 Ca 0.07 0.02 -0.17 0.00 -0.00 0.00 0.00 60.37 60.29 3gxd h HIS 365 Cb 0.40 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.46 3gxd h HIS 365 CO 0.03 0.56 -0.82 1.03 -0.00 0.00 0.00 177.93 178.74 3gxd h SER 366 N 1.01 0.00 0.48 3.26 0.87 -0.53 -2.75 113.55 115.88 3gxd h SER 366 Ca 0.33 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.82 3gxd h SER 366 Cb 0.05 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3gxd h SER 366 CO -0.10 0.82 -0.34 0.40 -0.53 0.00 0.00 176.83 177.08 3gxd h ILE 367 N 0.00 1.08 0.18 2.23 2.04 0.26 -2.23 117.51 121.06 3gxd h ILE 367 Ca -0.01 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 3gxd h ILE 367 Cb 1.45 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.23 3gxd h ILE 367 CO 0.11 0.33 -0.09 0.40 0.00 0.00 0.00 178.15 178.91 3gxd h ILE 368 N 0.00 0.41 -0.92 -0.67 2.04 -0.68 -2.00 117.51 115.70 3gxd h ILE 368 Ca -0.00 -1.03 0.24 0.00 1.00 0.00 0.00 64.86 65.06 3gxd h ILE 368 Cb 0.67 0.73 -0.13 0.00 -0.74 0.00 0.00 36.82 37.35 3gxd h ILE 368 CO 0.04 0.12 0.43 0.74 0.00 0.00 0.00 178.15 179.48 3gxd h THR 369 N -1.00 0.45 -0.85 -0.27 2.02 -1.55 0.40 112.91 112.11 3gxd h THR 369 Ca -0.02 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 3gxd h THR 369 Cb 0.38 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.76 3gxd h THR 369 CO 0.04 0.07 0.41 0.78 0.37 0.00 0.00 175.52 177.19 3gxd h ASN 370 N 0.40 1.11 0.28 4.18 2.35 -1.35 -1.87 115.58 120.68 3gxd h ASN 370 Ca 0.59 -0.13 -0.18 0.00 -0.55 0.00 0.00 56.30 56.03 3gxd h ASN 370 Cb 1.16 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 3gxd h ASN 370 CO -0.54 0.93 -0.71 -0.07 -1.65 0.00 0.00 177.43 175.39 3gxd h LEU 371 N 1.21 0.45 -2.30 1.61 3.38 -0.24 -2.21 115.31 117.21 3gxd h LEU 371 Ca 0.29 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3gxd h LEU 371 Cb 0.11 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3gxd h LEU 371 CO -0.04 1.02 -0.05 -0.07 0.09 0.00 0.00 178.44 179.40 3gxd h LEU 372 N 0.26 0.00 -4.02 1.67 3.38 0.17 -3.06 115.31 113.70 3gxd h LEU 372 Ca -0.03 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.37 3gxd h LEU 372 Cb 1.28 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.62 3gxd h LEU 372 CO 0.12 0.05 -0.62 -1.22 0.09 0.00 0.00 178.44 176.86 3gxd n TYR 373 N -3.55 2.98 -0.21 1.13 4.02 -0.74 -4.97 117.16 115.81 3gxd n TYR 373 Ca -0.02 -2.53 0.00 0.00 -0.01 0.00 0.00 57.90 55.34 3gxd n TYR 373 Cb 0.15 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 39.10 3gxd n TYR 373 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3gxd n HIS 374 N -0.66 0.00 -1.70 -0.72 8.25 -1.16 -4.66 115.22 114.57 3gxd n HIS 374 Ca 0.44 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.47 3gxd n HIS 374 Cb 0.84 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.92 3gxd n HIS 374 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3gxd n VAL 375 N -2.00 0.09 1.10 1.59 0.31 -0.87 -4.46 118.33 114.10 3gxd n VAL 375 Ca 0.00 -0.02 0.12 0.00 -0.01 0.00 0.00 64.34 64.43 3gxd n VAL 375 Cb 0.00 -1.88 0.19 0.00 -0.91 0.00 0.00 33.84 31.24 3gxd n VAL 375 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3gxd n VAL 376 N 3.99 0.00 -3.55 2.52 0.24 0.78 -4.53 118.33 117.77 3gxd n VAL 376 Ca 0.17 -0.13 -0.09 0.00 -2.04 0.00 0.00 64.34 62.25 3gxd n VAL 376 Cb 0.33 0.69 -0.02 0.00 -1.47 0.00 0.00 33.84 33.37 3gxd n VAL 376 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3gxd s GLY 377 N -2.64 -0.46 -0.18 7.63 0.00 -1.26 0.24 107.32 110.65 3gxd s GLY 377 Ca 0.18 0.46 -0.04 0.00 0.00 0.00 0.00 44.72 45.32 3gxd s GLY 377 CO 0.61 0.15 0.30 0.86 0.00 0.00 0.00 173.10 175.02 3gxd s TRP 378 N -3.57 -0.53 -0.23 1.90 -0.00 -0.37 -1.63 118.94 114.51 3gxd s TRP 378 Ca 0.05 0.85 -0.05 0.00 -0.00 0.00 0.00 56.10 56.95 3gxd s TRP 378 Cb -0.02 -0.05 -0.02 0.00 -0.00 0.00 0.00 33.47 33.39 3gxd s TRP 378 CO -0.07 -0.51 0.00 0.99 -0.00 0.00 0.00 176.95 177.36 3gxd s THR 379 N 2.45 3.74 0.79 5.86 2.01 0.22 -2.40 115.64 128.31 3gxd s THR 379 Ca 0.05 -0.37 -0.12 0.00 0.31 0.00 0.00 61.69 61.56 3gxd s THR 379 Cb -0.14 -2.72 0.07 0.00 0.01 0.00 0.00 72.50 69.72 3gxd s THR 379 CO -0.11 0.39 1.14 -0.62 -0.69 0.00 0.00 174.62 174.73 3gxd s ASP 380 N 1.53 4.03 0.00 3.53 2.15 0.80 -2.14 116.67 126.56 3gxd s ASP 380 Ca 0.06 2.10 0.00 0.00 0.43 0.00 0.00 52.55 55.14 3gxd s ASP 380 Cb -0.15 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 3gxd s ASP 380 CO -0.01 -2.36 0.00 1.87 -0.17 0.00 0.00 175.17 174.50 3gxd n TRP 381 N -3.37 0.00 -1.66 -5.34 -0.00 -1.12 -2.21 117.44 103.74 3gxd n TRP 381 Ca 0.11 0.00 -0.48 0.00 -0.00 0.00 0.00 57.50 57.13 3gxd n TRP 381 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.78 3gxd n TRP 381 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 3gxd n ASN 382 N 0.00 2.93 -0.29 5.87 3.02 -1.26 0.66 115.26 126.19 3gxd n ASN 382 Ca 0.00 1.06 -0.05 0.00 -0.03 0.00 0.00 54.58 55.56 3gxd n ASN 382 Cb 0.00 -1.36 0.07 0.00 -0.61 0.00 0.00 39.78 37.88 3gxd n ASN 382 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3gxd h LEU 383 N 6.74 1.03 -7.87 3.41 3.38 -1.77 -3.41 115.31 116.80 3gxd h LEU 383 Ca -0.46 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.19 3gxd h LEU 383 Cb 1.28 -0.26 -0.24 0.00 0.09 0.00 0.00 40.66 41.52 3gxd h LEU 383 CO 0.89 0.86 -0.70 0.00 0.09 0.00 0.00 178.44 179.58 3gxd s ALA 384 N -5.76 0.05 0.20 1.53 0.00 -1.26 -4.03 121.76 112.48 3gxd s ALA 384 Ca -0.13 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.53 3gxd s ALA 384 Cb 0.16 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 3gxd s ALA 384 CO 0.82 -0.10 -0.02 -0.51 0.00 0.00 0.00 175.76 175.95 3gxd s LEU 385 N -0.89 2.22 0.86 0.00 1.43 -0.91 -3.40 118.68 118.00 3gxd s LEU 385 Ca -0.10 -1.17 -0.11 0.00 -1.03 0.00 0.00 54.13 51.72 3gxd s LEU 385 Cb -0.06 -0.21 0.16 0.00 0.03 0.00 0.00 46.19 46.11 3gxd s LEU 385 CO -0.01 -0.50 1.20 0.54 0.23 0.00 0.00 176.35 177.82 3gxd s ASN 386 N -3.24 3.72 0.60 2.29 2.20 0.66 -1.15 114.94 120.03 3gxd s ASN 386 Ca 0.25 0.21 0.38 0.00 -0.94 0.00 0.00 52.86 52.76 3gxd s ASN 386 Cb 0.05 -0.44 1.87 0.00 -2.00 0.00 0.00 41.25 40.73 3gxd s ASN 386 CO 0.06 -2.33 2.17 -0.65 -2.94 0.00 0.00 177.10 173.41 3gxd h PRO 387 N -1.22 0.00 0.00 3.55 0.11 -1.89 0.88 132.00 133.42 3gxd h PRO 387 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3gxd h PRO 387 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3gxd h PRO 387 CO 0.44 0.01 0.00 0.93 -0.21 0.00 0.00 178.00 179.17 3gxd h GLU 388 N 0.00 0.00 -0.11 1.05 5.08 -1.94 -3.41 114.58 115.25 3gxd h GLU 388 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gxd h GLU 388 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3gxd h GLU 388 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3gxd n GLY 389 N 0.88 1.17 0.00 -3.84 0.00 0.30 -4.56 105.19 99.14 3gxd n GLY 389 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3gxd n GLY 389 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxd n GLY 390 N -0.82 6.08 3.79 -0.02 0.00 -1.25 -4.38 105.19 108.59 3gxd n GLY 390 Ca 0.00 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 3gxd n GLY 390 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gxd s PRO 391 N 1.26 3.87 0.00 1.61 0.02 -1.26 -0.25 135.00 140.25 3gxd s PRO 391 Ca 0.00 1.39 0.03 0.00 0.02 0.00 0.00 61.00 62.44 3gxd s PRO 391 Cb 0.00 -2.17 -0.01 0.00 0.02 0.00 0.00 34.50 32.34 3gxd s PRO 391 CO 0.00 -0.38 -0.10 1.21 -0.33 0.00 0.00 177.00 177.41 3gxd s ASN 392 N -1.90 1.12 0.16 2.53 3.84 -1.26 -4.53 114.94 114.89 3gxd s ASN 392 Ca 0.66 -0.24 0.26 0.00 0.21 0.00 0.00 52.86 53.75 3gxd s ASN 392 Cb -0.17 -0.10 0.73 0.00 -0.55 0.00 0.00 41.25 41.15 3gxd s ASN 392 CO 0.21 0.07 1.67 -2.67 -2.79 0.00 0.00 177.10 173.59 3gxd n TRP 393 N 2.61 0.72 -0.46 0.43 4.27 -0.82 -4.17 117.44 120.03 3gxd n TRP 393 Ca -0.15 0.21 0.00 0.00 -3.89 0.00 0.00 57.50 53.67 3gxd n TRP 393 Cb 0.56 -0.81 0.00 0.00 -1.36 0.00 0.00 31.31 29.71 3gxd n TRP 393 CO 0.00 0.00 0.00 1.55 -2.29 0.00 0.00 177.69 176.95 3gxd n VAL 394 N -2.13 0.40 -1.27 -1.67 3.14 -1.26 -5.01 118.33 110.53 3gxd n VAL 394 Ca 0.05 -0.47 -0.05 0.00 -2.96 0.00 0.00 64.34 60.90 3gxd n VAL 394 Cb 0.42 0.91 -0.02 0.00 -1.06 0.00 0.00 33.84 34.09 3gxd n VAL 394 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3gxd n ARG 395 N -0.20 -0.39 -2.47 1.45 1.74 -1.26 -4.99 116.66 110.54 3gxd n ARG 395 Ca 0.00 0.64 -0.41 0.00 -0.77 0.00 0.00 57.85 57.31 3gxd n ARG 395 Cb 0.30 -4.38 -0.03 0.00 -1.02 0.00 0.00 32.46 27.33 3gxd n ARG 395 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3gxd s ASN 396 N -2.92 6.08 -0.18 0.55 3.84 -1.26 -5.02 114.94 116.04 3gxd s ASN 396 Ca 0.00 -0.19 -0.13 0.00 0.21 0.00 0.00 52.86 52.75 3gxd s ASN 396 Cb 0.00 -2.55 -0.05 0.00 -0.55 0.00 0.00 41.25 38.10 3gxd s ASN 396 CO 0.00 -1.85 0.27 -0.36 -2.79 0.00 0.00 177.10 172.38 3gxd s PHE 397 N 6.09 3.43 0.12 0.43 0.08 -1.26 -4.96 117.98 121.91 3gxd s PHE 397 Ca 0.42 0.53 -0.01 0.00 0.12 0.00 0.00 56.93 57.99 3gxd s PHE 397 Cb -0.09 -2.33 -0.04 0.00 -0.57 0.00 0.00 43.02 39.99 3gxd s PHE 397 CO 0.18 0.20 0.05 0.14 -0.10 0.00 0.00 175.22 175.70 3gxd s VAL 398 N 0.60 0.12 0.62 -0.44 -7.23 -1.26 -4.53 120.40 108.28 3gxd s VAL 398 Ca 0.15 -1.86 -0.04 0.00 -1.81 0.00 0.00 61.98 58.42 3gxd s VAL 398 Cb -0.13 -1.93 0.04 0.00 0.56 0.00 0.00 36.38 34.92 3gxd s VAL 398 CO 0.04 -0.56 0.90 -0.62 -0.31 0.00 0.00 175.10 174.54 3gxd s ASP 399 N -3.02 5.20 -0.01 4.85 -1.08 -1.13 -4.36 116.67 117.12 3gxd s ASP 399 Ca 0.20 0.39 -0.12 0.00 -0.52 0.00 0.00 52.55 52.51 3gxd s ASP 399 Cb 0.07 -1.23 0.02 0.00 -1.46 0.00 0.00 42.92 40.32 3gxd s ASP 399 CO -0.01 -1.28 0.25 -0.55 0.52 0.00 0.00 175.17 174.10 3gxd s SER 400 N -4.42 -0.12 0.51 -0.34 0.15 -1.26 -4.73 113.70 103.49 3gxd s SER 400 Ca 0.57 0.01 0.25 0.00 0.70 0.00 0.00 55.95 57.48 3gxd s SER 400 Cb -0.11 0.29 1.39 0.00 -1.71 0.00 0.00 66.02 65.88 3gxd s SER 400 CO 0.43 -0.41 2.07 -0.65 1.20 0.00 0.00 173.24 175.88 3gxd h PRO 401 N 4.09 0.00 -5.01 5.44 0.11 -1.82 -3.42 132.00 131.39 3gxd h PRO 401 Ca -0.30 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.24 3gxd h PRO 401 Cb 1.18 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.97 3gxd h PRO 401 CO 0.40 0.13 -0.84 0.42 -0.21 0.00 0.00 178.00 177.90 3gxd s ILE 402 N -4.29 1.45 -0.09 4.15 1.01 -1.26 -0.34 121.20 121.84 3gxd s ILE 402 Ca -0.03 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 59.97 3gxd s ILE 402 Cb 0.14 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.33 3gxd s ILE 402 CO 0.60 0.42 -0.21 -0.63 0.00 0.00 0.00 174.94 175.13 3gxd s ILE 403 N 0.35 1.81 -0.15 2.92 -1.09 -0.45 -2.13 121.20 122.45 3gxd s ILE 403 Ca -0.11 -0.88 -0.04 0.00 -2.23 0.00 0.00 60.65 57.38 3gxd s ILE 403 Cb -0.15 -1.57 -0.03 0.00 -1.58 0.00 0.00 42.46 39.13 3gxd s ILE 403 CO 0.04 0.50 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.56 3gxd s VAL 404 N 0.38 4.17 -0.76 2.92 1.01 -0.30 0.07 120.40 127.90 3gxd s VAL 404 Ca -0.17 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 3gxd s VAL 404 Cb -0.17 -2.83 0.19 0.00 0.00 0.00 0.00 36.38 33.57 3gxd s VAL 404 CO 0.07 0.50 0.62 -0.62 0.00 0.00 0.00 175.10 175.67 3gxd s ASP 405 N 0.22 5.77 0.30 3.32 -1.08 -0.54 -3.89 116.67 120.77 3gxd s ASP 405 Ca -0.00 -3.13 0.01 0.00 -0.52 0.00 0.00 52.55 48.91 3gxd s ASP 405 Cb -0.13 -1.94 0.56 0.00 -1.46 0.00 0.00 42.92 39.95 3gxd s ASP 405 CO 0.02 -0.34 1.90 0.40 0.52 0.00 0.00 175.17 177.67 3gxd h ILE 406 N 4.76 1.03 0.00 4.11 2.04 -1.92 -0.27 117.51 127.26 3gxd h ILE 406 Ca 0.07 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3gxd h ILE 406 Cb 0.92 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3gxd h ILE 406 CO 0.77 0.18 0.00 0.71 0.00 0.00 0.00 178.15 179.81 3gxd h THR 407 N 1.00 0.00 -0.29 -0.27 1.35 -1.93 -1.50 112.91 111.26 3gxd h THR 407 Ca 0.41 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 66.01 3gxd h THR 407 Cb 0.28 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3gxd h THR 407 CO -0.17 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.39 3gxd n LYS 408 N -3.05 2.62 -3.38 4.72 5.02 -0.14 -4.95 118.16 119.01 3gxd n LYS 408 Ca -0.01 -1.92 -0.23 0.00 -2.02 0.00 0.00 58.31 54.13 3gxd n LYS 408 Cb 0.19 -1.25 -0.04 0.00 -0.02 0.00 0.00 35.03 33.91 3gxd n LYS 408 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3gxd n ASP 409 N 0.47 -1.28 -4.63 4.39 2.03 -0.57 -4.94 116.55 112.02 3gxd n ASP 409 Ca 0.10 -0.53 -0.24 0.00 0.52 0.00 0.00 54.79 54.65 3gxd n ASP 409 Cb 0.40 -1.15 -0.08 0.00 -0.72 0.00 0.00 41.12 39.56 3gxd n ASP 409 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3gxd s THR 410 N -2.45 2.84 0.00 5.18 -4.23 -1.12 -3.95 115.64 111.92 3gxd s THR 410 Ca 0.45 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.00 3gxd s THR 410 Cb -0.26 -2.78 -0.00 0.00 1.34 0.00 0.00 72.50 70.79 3gxd s THR 410 CO 0.56 -0.25 -0.02 0.72 -0.54 0.00 0.00 174.62 175.08 3gxd s PHE 411 N -2.47 0.21 -0.17 3.99 -0.12 -0.71 -1.47 117.98 117.24 3gxd s PHE 411 Ca 0.34 -0.10 -0.11 0.00 -0.05 0.00 0.00 56.93 57.01 3gxd s PHE 411 Cb -0.02 -0.14 -0.05 0.00 -0.63 0.00 0.00 43.02 42.18 3gxd s PHE 411 CO 0.19 -0.02 0.19 0.71 -0.05 0.00 0.00 175.22 176.24 3gxd s TYR 412 N -0.24 3.46 -0.30 3.49 1.51 0.11 -0.75 117.35 124.62 3gxd s TYR 412 Ca -0.01 0.46 -0.16 0.00 -1.01 0.00 0.00 57.07 56.35 3gxd s TYR 412 Cb -0.02 -2.19 -0.02 0.00 -0.11 0.00 0.00 41.96 39.61 3gxd s TYR 412 CO -0.00 0.34 0.40 0.15 -1.11 0.00 0.00 175.55 175.33 3gxd s LYS 413 N 0.18 3.83 0.46 -0.62 1.02 -0.28 -1.34 119.74 122.99 3gxd s LYS 413 Ca 0.12 -0.10 -0.06 0.00 0.02 0.00 0.00 55.97 55.95 3gxd s LYS 413 Cb -0.12 -3.72 -0.04 0.00 -0.52 0.00 0.00 37.83 33.43 3gxd s LYS 413 CO 0.01 -0.41 0.77 -0.65 -0.92 0.00 0.00 175.35 174.15 3gxd s GLN 414 N 2.13 3.57 0.21 1.68 -1.52 0.54 -0.79 119.66 125.48 3gxd s GLN 414 Ca 0.15 0.22 -0.17 0.00 -1.95 0.00 0.00 55.36 53.61 3gxd s GLN 414 Cb -0.16 -2.39 0.21 0.00 -0.22 0.00 0.00 33.01 30.45 3gxd s GLN 414 CO 0.11 -0.16 1.58 -1.35 -0.25 0.00 0.00 175.29 175.22 3gxd h PRO 415 N 0.41 -0.08 -0.72 2.91 0.11 -1.82 0.53 132.00 133.34 3gxd h PRO 415 Ca -0.47 0.01 0.19 0.00 0.11 0.00 0.00 66.00 65.83 3gxd h PRO 415 Cb 1.20 0.02 -0.14 0.00 0.11 0.00 0.00 31.00 32.19 3gxd h PRO 415 CO 0.62 -0.05 -0.03 -1.33 -0.21 0.00 0.00 178.00 177.00 3gxd n MET 416 N -5.47 -0.06 -0.11 1.05 2.81 -1.26 0.62 117.12 114.69 3gxd n MET 416 Ca 0.08 1.10 0.01 0.00 -1.81 0.00 0.00 57.70 57.07 3gxd n MET 416 Cb 0.38 -1.72 0.31 0.00 -0.71 0.00 0.00 33.22 31.48 3gxd n MET 416 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 3gxd h PHE 417 N 0.00 0.75 0.18 2.03 3.57 -1.07 -0.87 116.94 121.54 3gxd h PHE 417 Ca 0.42 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.61 3gxd h PHE 417 Cb 0.82 -0.25 0.02 0.00 2.79 0.00 0.00 35.95 39.33 3gxd h PHE 417 CO -0.41 0.51 -1.44 1.88 -2.23 0.00 0.00 178.31 176.61 3gxd h TYR 418 N 0.79 0.71 -0.59 0.41 -1.99 0.21 -2.25 116.97 114.26 3gxd h TYR 418 Ca 0.21 -0.51 -0.08 0.00 2.00 0.00 0.00 58.73 60.34 3gxd h TYR 418 Cb -0.02 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 38.66 3gxd h TYR 418 CO 0.00 1.45 0.05 0.45 -0.00 0.00 0.00 178.16 180.12 3gxd h HIS 419 N 0.11 1.08 -0.96 4.88 3.86 -0.95 -0.70 115.15 122.46 3gxd h HIS 419 Ca -0.22 -0.17 0.20 0.00 -1.16 0.00 0.00 60.37 59.02 3gxd h HIS 419 Cb 2.07 -0.29 -0.09 0.00 1.06 0.00 0.00 27.41 30.17 3gxd h HIS 419 CO 0.09 0.95 0.61 -0.07 0.86 0.00 0.00 177.93 180.37 3gxd h LEU 420 N 0.90 0.59 -0.42 2.43 3.38 -1.20 -2.78 115.31 118.20 3gxd h LEU 420 Ca 0.17 0.07 -0.18 0.00 0.09 0.00 0.00 57.88 58.03 3gxd h LEU 420 Cb 0.48 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3gxd h LEU 420 CO 0.02 0.22 -0.73 1.23 0.09 0.00 0.00 178.44 179.27 3gxd h GLY 421 N 0.58 0.41 1.03 0.83 0.00 -0.53 -1.26 103.07 104.13 3gxd h GLY 421 Ca 0.53 -0.58 0.07 0.00 0.00 0.00 0.00 47.33 47.35 3gxd h GLY 421 CO -0.27 0.51 0.42 0.45 0.00 0.00 0.00 176.54 177.65 3gxd h HIS 422 N 0.25 0.00 0.00 5.60 3.86 -1.02 -0.50 115.15 123.34 3gxd h HIS 422 Ca -0.03 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 3gxd h HIS 422 Cb 1.30 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.77 3gxd h HIS 422 CO 0.04 0.00 -0.94 1.19 0.86 0.00 0.00 177.93 179.08 3gxd n PHE 423 N -3.35 0.00 -0.30 2.45 3.01 -1.08 -4.45 117.46 113.75 3gxd n PHE 423 Ca 0.03 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.62 3gxd n PHE 423 Cb 0.54 -0.45 0.29 0.00 -0.01 0.00 0.00 39.48 39.85 3gxd n PHE 423 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3gxd h SER 424 N -0.84 0.12 0.44 4.37 4.64 -1.12 -0.56 113.55 120.60 3gxd h SER 424 Ca -0.04 0.18 -0.12 0.00 -0.47 0.00 0.00 61.79 61.34 3gxd h SER 424 Cb 0.88 0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 3gxd h SER 424 CO -0.02 -0.10 -0.53 0.50 -0.87 0.00 0.00 176.83 175.81 3gxd h LYS 425 N 0.27 0.10 -0.04 4.77 3.64 -0.96 -3.33 116.57 121.02 3gxd h LYS 425 Ca 0.55 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 3gxd h LYS 425 Cb 1.08 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3gxd h LYS 425 CO -0.60 0.61 0.00 1.19 -2.27 0.00 0.00 179.45 178.38 3gxd n PHE 426 N -3.92 0.04 -3.84 1.91 0.99 -0.31 -4.80 117.46 107.54 3gxd n PHE 426 Ca -0.02 -0.07 -0.30 0.00 -0.00 0.00 0.00 57.45 57.07 3gxd n PHE 426 Cb 0.55 -0.00 -0.14 0.00 -1.00 0.00 0.00 39.48 38.89 3gxd n PHE 426 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3gxd s ILE 427 N -0.67 1.94 0.66 4.37 1.01 -0.66 -4.92 121.20 122.93 3gxd s ILE 427 Ca 0.10 -2.78 -0.12 0.00 0.00 0.00 0.00 60.65 57.84 3gxd s ILE 427 Cb 0.06 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 3gxd s ILE 427 CO 0.09 -0.82 1.06 -2.16 0.00 0.00 0.00 174.94 173.11 3gxd s PRO 428 N 0.21 3.08 0.04 2.79 0.04 -1.26 -4.85 135.00 135.05 3gxd s PRO 428 Ca 0.16 1.00 -0.38 0.00 0.04 0.00 0.00 61.00 61.82 3gxd s PRO 428 Cb -0.24 -2.01 -0.18 0.00 0.04 0.00 0.00 34.50 32.11 3gxd s PRO 428 CO -0.02 -0.99 1.26 -1.91 0.04 0.00 0.00 177.00 175.38 3gxd n GLU 429 N -2.82 0.73 0.00 4.56 2.13 -1.26 -1.44 120.64 122.53 3gxd n GLU 429 Ca 0.08 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.16 3gxd n GLU 429 Cb 0.53 -1.85 0.00 0.00 0.27 0.00 0.00 31.44 30.39 3gxd n GLU 429 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gxd n GLY 430 N 2.21 1.91 3.53 8.31 0.00 -0.69 -4.86 105.19 115.59 3gxd n GLY 430 Ca 0.19 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 3gxd n GLY 430 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gxd n SER 431 N 0.12 0.27 -4.27 1.61 7.64 -0.52 -4.23 113.62 114.23 3gxd n SER 431 Ca 0.00 1.04 -0.34 0.00 1.01 0.00 0.00 58.87 60.58 3gxd n SER 431 Cb 0.00 -1.21 -0.15 0.00 -1.01 0.00 0.00 64.21 61.84 3gxd n SER 431 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3gxd s GLN 432 N -1.64 3.25 0.56 1.43 0.74 -0.66 -0.05 119.66 123.29 3gxd s GLN 432 Ca 0.62 -0.72 -0.20 0.00 0.05 0.00 0.00 55.36 55.11 3gxd s GLN 432 Cb -0.65 -2.71 -0.05 0.00 1.10 0.00 0.00 33.01 30.70 3gxd s GLN 432 CO 0.58 -0.04 1.18 0.50 -0.55 0.00 0.00 175.29 176.96 3gxd s ARG 433 N 0.98 3.21 0.25 1.67 3.52 -0.68 -0.84 118.95 127.07 3gxd s ARG 433 Ca -0.02 1.75 -0.01 0.00 -0.13 0.00 0.00 55.73 57.31 3gxd s ARG 433 Cb -0.15 -2.02 -0.03 0.00 -1.56 0.00 0.00 34.95 31.20 3gxd s ARG 433 CO -0.02 -0.99 0.26 0.14 -0.81 0.00 0.00 175.30 173.88 3gxd s VAL 434 N -1.65 0.00 0.63 7.11 -7.23 -0.82 -1.66 120.40 116.78 3gxd s VAL 434 Ca 0.74 -1.86 -0.12 0.00 -1.81 0.00 0.00 61.98 58.93 3gxd s VAL 434 Cb -0.28 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 3gxd s VAL 434 CO 0.31 0.00 1.04 -0.83 -0.31 0.00 0.00 175.10 175.31 3gxd s GLY 435 N -3.19 1.75 -0.29 2.32 0.00 -1.11 -4.28 107.32 102.53 3gxd s GLY 435 Ca 0.36 0.04 0.03 0.00 0.00 0.00 0.00 44.72 45.15 3gxd s GLY 435 CO 0.16 0.33 0.50 -2.27 0.00 0.00 0.00 173.10 171.81 3gxd s LEU 436 N -5.10 -1.18 -0.14 0.66 2.96 -1.26 -1.31 118.68 113.31 3gxd s LEU 436 Ca 0.57 -0.02 -0.21 0.00 -0.22 0.00 0.00 54.13 54.25 3gxd s LEU 436 Cb -0.12 1.58 -0.03 0.00 0.50 0.00 0.00 46.19 48.11 3gxd s LEU 436 CO 0.50 -0.32 0.61 -0.69 -1.32 0.00 0.00 176.35 175.13 3gxd s VAL 437 N 2.69 5.07 0.34 1.68 1.01 0.53 -4.84 120.40 126.87 3gxd s VAL 437 Ca 0.11 1.20 -0.22 0.00 0.00 0.00 0.00 61.98 63.07 3gxd s VAL 437 Cb -0.12 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.23 3gxd s VAL 437 CO -0.27 0.20 0.87 0.00 0.00 0.00 0.00 175.10 175.90 3gxd s ALA 438 N 1.30 3.22 -0.76 5.51 0.00 -1.26 -0.07 121.76 129.69 3gxd s ALA 438 Ca 0.30 0.34 0.26 0.00 0.00 0.00 0.00 51.96 52.86 3gxd s ALA 438 Cb -0.16 -3.04 0.91 0.00 0.00 0.00 0.00 23.12 20.83 3gxd s ALA 438 CO 0.12 0.22 1.79 -1.13 0.00 0.00 0.00 175.76 176.76 3gxd n SER 439 N 0.09 0.61 0.00 0.00 3.41 0.57 -4.94 113.62 113.36 3gxd n SER 439 Ca 0.03 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 3gxd n SER 439 Cb 0.52 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 3gxd n SER 439 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gxd n GLN 440 N -2.09 0.00 -1.69 4.33 10.64 -1.26 -4.93 117.38 122.38 3gxd n GLN 440 Ca 0.05 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.81 3gxd n GLN 440 Cb 0.38 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.76 3gxd n GLN 440 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 3gxd n LYS 441 N -0.04 1.92 -3.60 2.61 4.81 -1.26 -4.98 118.16 117.62 3gxd n LYS 441 Ca 0.00 0.68 -0.06 0.00 -0.87 0.00 0.00 58.31 58.06 3gxd n LYS 441 Cb 0.00 -2.33 -0.02 0.00 0.02 0.00 0.00 35.03 32.70 3gxd n LYS 441 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3gxd s ASN 442 N -0.50 -0.27 0.00 3.14 2.20 -1.26 -5.06 114.94 113.20 3gxd s ASN 442 Ca 0.60 -0.15 0.25 0.00 -0.94 0.00 0.00 52.86 52.62 3gxd s ASN 442 Cb -0.53 0.39 0.49 0.00 -2.00 0.00 0.00 41.25 39.61 3gxd s ASN 442 CO 0.59 -0.67 1.43 0.47 -2.94 0.00 0.00 177.10 175.97 3gxd n ASP 443 N -0.33 2.32 -4.78 3.54 8.00 -1.26 -4.97 116.55 119.07 3gxd n ASP 443 Ca -0.07 -1.74 -0.37 0.00 0.71 0.00 0.00 54.79 53.32 3gxd n ASP 443 Cb 0.61 0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.70 3gxd n ASP 443 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gxd s LEU 444 N -2.06 4.32 -0.13 0.64 1.43 -1.26 -4.56 118.68 117.07 3gxd s LEU 444 Ca 0.30 1.92 -0.04 0.00 -1.03 0.00 0.00 54.13 55.28 3gxd s LEU 444 Cb 0.20 -4.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 3gxd s LEU 444 CO 0.34 -0.16 0.04 -1.81 0.23 0.00 0.00 176.35 174.99 3gxd s ASP 445 N -1.53 5.48 0.12 2.29 1.01 -1.02 -5.00 116.67 118.02 3gxd s ASP 445 Ca 0.51 0.14 -0.15 0.00 0.71 0.00 0.00 52.55 53.76 3gxd s ASP 445 Cb -0.21 -1.75 0.03 0.00 1.01 0.00 0.00 42.92 42.01 3gxd s ASP 445 CO 0.26 0.30 0.38 0.00 0.21 0.00 0.00 175.17 176.32 3gxd s ALA 446 N -0.39 -0.83 -0.20 5.23 0.00 -1.26 -0.87 121.76 123.44 3gxd s ALA 446 Ca 0.08 -0.13 -0.27 0.00 0.00 0.00 0.00 51.96 51.64 3gxd s ALA 446 Cb -0.12 0.68 0.09 0.00 0.00 0.00 0.00 23.12 23.76 3gxd s ALA 446 CO 0.02 -0.63 0.80 0.54 0.00 0.00 0.00 175.76 176.48 3gxd s VAL 447 N -3.82 0.00 0.05 0.00 0.11 -0.81 -4.95 120.40 110.99 3gxd s VAL 447 Ca 0.04 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.16 3gxd s VAL 447 Cb 0.02 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 3gxd s VAL 447 CO -0.11 0.00 -0.21 0.00 -3.33 0.00 0.00 175.10 171.45 3gxd s ALA 448 N -0.25 1.78 0.16 1.54 0.00 -1.26 -0.96 121.76 122.78 3gxd s ALA 448 Ca -0.03 -1.09 -0.08 0.00 0.00 0.00 0.00 51.96 50.76 3gxd s ALA 448 Cb -0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 3gxd s ALA 448 CO 0.02 0.39 0.25 -0.51 0.00 0.00 0.00 175.76 175.92 3gxd s LEU 449 N -1.30 1.06 -0.06 0.00 1.02 -0.68 -1.94 118.68 116.79 3gxd s LEU 449 Ca 0.07 -0.94 0.04 0.00 0.02 0.00 0.00 54.13 53.32 3gxd s LEU 449 Cb -0.09 1.05 0.00 0.00 0.02 0.00 0.00 46.19 47.17 3gxd s LEU 449 CO 0.02 -0.88 -0.17 -0.32 0.02 0.00 0.00 176.35 175.02 3gxd s MET 450 N -3.99 1.97 0.82 1.70 1.75 -0.02 -2.02 119.30 119.52 3gxd s MET 450 Ca 0.19 -0.61 -0.11 0.00 -1.25 0.00 0.00 55.69 53.91 3gxd s MET 450 Cb 0.04 -1.65 0.08 0.00 2.84 0.00 0.00 34.83 36.15 3gxd s MET 450 CO 0.01 0.19 1.09 -1.01 -0.65 0.00 0.00 175.02 174.65 3gxd s HIS 451 N 0.21 2.62 -0.71 4.11 3.76 0.49 -1.65 115.29 124.11 3gxd s HIS 451 Ca -0.08 1.28 0.03 0.00 -0.15 0.00 0.00 55.06 56.13 3gxd s HIS 451 Cb -0.13 -3.10 0.15 0.00 1.11 0.00 0.00 32.58 30.60 3gxd s HIS 451 CO 0.04 -1.97 1.00 -2.30 -0.85 0.00 0.00 174.74 170.65 3gxd n PRO 452 N -3.60 0.02 -1.11 8.40 -0.02 -1.26 -1.03 135.00 136.41 3gxd n PRO 452 Ca 0.07 0.44 -0.13 0.00 -2.02 0.00 0.00 63.50 61.87 3gxd n PRO 452 Cb 0.55 -1.66 0.15 0.00 -0.02 0.00 0.00 33.50 32.53 3gxd n PRO 452 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3gxd n ASP 453 N -1.52 3.55 0.00 2.55 5.68 -1.26 -4.96 116.55 120.58 3gxd n ASP 453 Ca -0.00 -3.78 0.00 0.00 -0.50 0.00 0.00 54.79 50.51 3gxd n ASP 453 Cb 0.10 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.44 3gxd n ASP 453 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gxd n GLY 454 N -1.04 2.28 3.78 6.12 0.00 -0.19 -4.98 105.19 111.15 3gxd n GLY 454 Ca 0.41 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 3gxd n GLY 454 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gxd s SER 455 N -0.72 4.12 0.01 1.61 1.04 -1.25 -4.60 113.70 113.90 3gxd s SER 455 Ca 0.00 1.35 0.05 0.00 0.48 0.00 0.00 55.95 57.83 3gxd s SER 455 Cb 0.00 -2.06 -0.03 0.00 0.10 0.00 0.00 66.02 64.03 3gxd s SER 455 CO 0.00 -2.21 -0.14 0.00 0.98 0.00 0.00 173.24 171.86 3gxd s ALA 456 N -3.09 2.71 0.01 5.32 0.00 -0.41 -0.38 121.76 125.91 3gxd s ALA 456 Ca 0.62 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 51.51 3gxd s ALA 456 Cb -0.16 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 3gxd s ALA 456 CO 0.55 0.58 -0.10 0.54 0.00 0.00 0.00 175.76 177.33 3gxd s VAL 457 N -0.89 0.74 -0.02 0.00 0.11 -0.85 -1.94 120.40 117.55 3gxd s VAL 457 Ca 0.14 -0.60 0.01 0.00 -2.93 0.00 0.00 61.98 58.60 3gxd s VAL 457 Cb -0.11 -0.66 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 3gxd s VAL 457 CO 0.05 0.07 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.17 3gxd s VAL 458 N -0.50 0.25 -0.09 2.04 1.01 -0.45 -1.68 120.40 120.99 3gxd s VAL 458 Ca 0.01 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.94 3gxd s VAL 458 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 3gxd s VAL 458 CO 0.00 0.11 -0.10 -0.69 0.00 0.00 0.00 175.10 174.43 3gxd s VAL 459 N 0.43 3.40 -0.11 2.92 1.01 -0.13 -1.33 120.40 126.59 3gxd s VAL 459 Ca -0.04 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 3gxd s VAL 459 Cb -0.07 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.93 3gxd s VAL 459 CO -0.01 0.57 -0.08 -0.69 0.00 0.00 0.00 175.10 174.89 3gxd s VAL 460 N -0.37 1.05 -0.12 2.92 1.01 0.32 -1.92 120.40 123.28 3gxd s VAL 460 Ca 0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 3gxd s VAL 460 Cb -0.12 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 3gxd s VAL 460 CO 0.02 0.37 -0.03 -0.22 0.00 0.00 0.00 175.10 175.25 3gxd s LEU 461 N 1.59 3.36 -0.19 3.92 2.96 -0.05 -0.00 118.68 130.26 3gxd s LEU 461 Ca 0.03 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 3gxd s LEU 461 Cb -0.13 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.79 3gxd s LEU 461 CO -0.07 0.26 -0.18 0.21 -1.32 0.00 0.00 176.35 175.25 3gxd s ASN 462 N -0.16 3.33 -0.00 3.68 3.84 -0.41 -2.44 114.94 122.78 3gxd s ASN 462 Ca 0.04 -0.67 0.20 0.00 0.21 0.00 0.00 52.86 52.64 3gxd s ASN 462 Cb -0.13 -1.51 0.57 0.00 -0.55 0.00 0.00 41.25 39.63 3gxd s ASN 462 CO 0.02 -0.01 1.47 0.54 -2.79 0.00 0.00 177.10 176.33 3gxd n ARG 463 N 4.63 2.78 -2.41 0.43 1.74 -1.26 -2.15 116.66 120.41 3gxd n ARG 463 Ca -0.20 -2.52 -0.24 0.00 -0.77 0.00 0.00 57.85 54.12 3gxd n ARG 463 Cb 0.50 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.49 3gxd n ARG 463 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gxd s SER 464 N -1.00 5.05 0.37 0.55 1.04 -1.26 -4.77 113.70 113.68 3gxd s SER 464 Ca 0.43 0.25 0.26 0.00 0.48 0.00 0.00 55.95 57.37 3gxd s SER 464 Cb 0.22 -1.02 0.75 0.00 0.10 0.00 0.00 66.02 66.07 3gxd s SER 464 CO 0.29 -1.37 1.74 0.77 0.98 0.00 0.00 173.24 175.65 3gxd h SER 465 N -0.28 0.00 -3.02 7.02 4.64 -1.93 -1.65 113.55 118.33 3gxd h SER 465 Ca -0.43 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.28 3gxd h SER 465 Cb 1.31 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.34 3gxd h SER 465 CO 0.57 0.00 -0.25 -0.54 -0.87 0.00 0.00 176.83 175.74 3gxd s LYS 466 N -3.28 3.81 0.54 4.77 1.02 -1.26 -4.35 119.74 120.98 3gxd s LYS 466 Ca 0.07 0.26 -0.20 0.00 0.02 0.00 0.00 55.97 56.12 3gxd s LYS 466 Cb 0.08 -3.13 -0.06 0.00 -0.52 0.00 0.00 37.83 34.21 3gxd s LYS 466 CO 0.59 0.65 1.16 -0.51 -0.92 0.00 0.00 175.35 176.32 3gxd s ASP 467 N -1.36 5.65 -0.26 2.83 1.01 -1.26 -3.52 116.67 119.77 3gxd s ASP 467 Ca 0.27 2.27 -0.02 0.00 0.71 0.00 0.00 52.55 55.77 3gxd s ASP 467 Cb -0.15 -2.59 0.08 0.00 1.01 0.00 0.00 42.92 41.27 3gxd s ASP 467 CO 0.14 -1.27 0.08 -0.69 0.21 0.00 0.00 175.17 173.64 3gxd s VAL 468 N -1.67 0.54 0.45 -1.27 1.01 -0.46 -4.91 120.40 114.08 3gxd s VAL 468 Ca 0.72 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 61.53 3gxd s VAL 468 Cb -0.27 -1.26 -0.09 0.00 0.00 0.00 0.00 36.38 34.76 3gxd s VAL 468 CO 0.30 -0.49 1.43 -0.81 0.00 0.00 0.00 175.10 175.54 3gxd n PRO 469 N 5.01 2.27 -3.47 2.72 -0.04 -1.26 -1.52 135.00 138.70 3gxd n PRO 469 Ca -0.06 0.81 -0.11 0.00 -0.04 0.00 0.00 63.50 64.10 3gxd n PRO 469 Cb 0.44 -2.63 -0.02 0.00 -0.04 0.00 0.00 33.50 31.25 3gxd n PRO 469 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3gxd s LEU 470 N -2.60 -0.48 -0.04 1.53 2.34 -0.68 -4.09 118.68 114.67 3gxd s LEU 470 Ca 0.61 0.08 0.06 0.00 0.06 0.00 0.00 54.13 54.94 3gxd s LEU 470 Cb -0.45 2.31 -0.01 0.00 -0.56 0.00 0.00 46.19 47.47 3gxd s LEU 470 CO 0.58 -0.76 -0.24 -0.89 -1.06 0.00 0.00 176.35 173.98 3gxd s THR 471 N -3.15 1.91 -0.18 5.48 2.01 -0.63 -1.59 115.64 119.49 3gxd s THR 471 Ca 0.02 -1.01 -0.08 0.00 0.31 0.00 0.00 61.69 60.93 3gxd s THR 471 Cb -0.01 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 3gxd s THR 471 CO -0.09 0.54 0.10 -0.63 -0.69 0.00 0.00 174.62 173.85 3gxd s ILE 472 N -0.32 5.17 -0.12 1.82 1.01 -0.17 -0.80 121.20 127.79 3gxd s ILE 472 Ca 0.02 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 3gxd s ILE 472 Cb -0.11 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 3gxd s ILE 472 CO 0.01 0.48 0.02 -0.75 0.00 0.00 0.00 174.94 174.71 3gxd s LYS 473 N 0.09 3.30 -0.15 2.79 2.20 0.11 -0.16 119.74 127.92 3gxd s LYS 473 Ca 0.08 -0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 55.30 3gxd s LYS 473 Cb -0.12 -2.93 0.04 0.00 -1.51 0.00 0.00 37.83 33.31 3gxd s LYS 473 CO -0.00 0.58 -0.02 0.34 -0.36 0.00 0.00 175.35 175.89 3gxd s ASP 474 N -0.53 2.53 0.20 1.43 2.15 0.04 -1.36 116.67 121.14 3gxd s ASP 474 Ca 0.10 -0.55 -0.15 0.00 0.43 0.00 0.00 52.55 52.38 3gxd s ASP 474 Cb -0.12 -0.71 0.21 0.00 -0.30 0.00 0.00 42.92 42.00 3gxd s ASP 474 CO 0.02 -0.22 1.63 -0.65 -0.17 0.00 0.00 175.17 175.78 3gxd h PRO 475 N 8.20 -0.03 0.00 4.34 0.11 -1.85 0.76 132.00 143.54 3gxd h PRO 475 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3gxd h PRO 475 Cb 1.12 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3gxd h PRO 475 CO 0.35 -0.02 0.01 0.00 -0.21 0.00 0.00 178.00 178.13 3gxd h ALA 476 N 1.52 1.00 0.00 -0.75 0.00 -1.97 -3.36 119.26 115.70 3gxd h ALA 476 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3gxd h ALA 476 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gxd h ALA 476 CO -0.62 -0.00 0.00 1.33 0.00 0.00 0.00 179.25 179.95 3gxd n VAL 477 N -2.44 0.00 0.00 0.00 0.24 -0.63 -5.01 118.33 110.49 3gxd n VAL 477 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 3gxd n VAL 477 Cb 0.05 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 3gxd n VAL 477 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gxd n GLY 478 N 0.50 0.59 3.50 7.63 0.00 0.26 -4.79 105.19 112.87 3gxd n GLY 478 Ca 0.00 -1.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 3gxd n GLY 478 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxd s PHE 479 N -3.41 2.69 -0.18 1.61 0.40 0.55 -0.78 117.98 118.87 3gxd s PHE 479 Ca 0.00 -0.17 -0.01 0.00 -0.60 0.00 0.00 56.93 56.16 3gxd s PHE 479 Cb 0.00 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.97 3gxd s PHE 479 CO 0.00 0.26 -0.14 -0.51 0.70 0.00 0.00 175.22 175.53 3gxd s LEU 480 N -1.17 2.47 -0.12 -0.37 1.43 0.77 -1.33 118.68 120.36 3gxd s LEU 480 Ca 0.14 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 3gxd s LEU 480 Cb -0.11 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 3gxd s LEU 480 CO 0.04 0.02 0.01 -1.61 0.23 0.00 0.00 176.35 175.04 3gxd s GLU 481 N 1.18 3.37 0.34 1.70 2.02 -1.26 -1.00 118.70 125.05 3gxd s GLU 481 Ca 0.02 -0.41 -0.17 0.00 0.02 0.00 0.00 54.97 54.42 3gxd s GLU 481 Cb -0.14 -2.92 0.04 0.00 0.10 0.00 0.00 34.13 31.21 3gxd s GLU 481 CO -0.06 0.51 0.75 -0.08 0.02 0.00 0.00 175.26 176.40 3gxd s THR 482 N -0.33 0.00 0.06 3.63 -1.32 -0.62 -5.01 115.64 112.05 3gxd s THR 482 Ca 0.07 -1.02 0.07 0.00 -1.21 0.00 0.00 61.69 59.60 3gxd s THR 482 Cb -0.12 -2.54 -0.03 0.00 -1.51 0.00 0.00 72.50 68.30 3gxd s THR 482 CO 0.02 0.00 -0.20 -0.63 -2.21 0.00 0.00 174.62 171.60 3gxd s ILE 483 N -2.95 1.65 -0.50 5.08 1.01 -1.26 -1.68 121.20 122.55 3gxd s ILE 483 Ca 0.14 -1.26 -0.14 0.00 0.00 0.00 0.00 60.65 59.39 3gxd s ILE 483 Cb -0.05 -1.45 0.10 0.00 0.01 0.00 0.00 42.46 41.07 3gxd s ILE 483 CO 0.10 0.14 0.42 -0.55 0.00 0.00 0.00 174.94 175.05 3gxd s SER 484 N -1.34 6.06 0.34 3.58 0.15 -0.58 -4.97 113.70 116.94 3gxd s SER 484 Ca 0.07 -1.62 -0.28 0.00 0.70 0.00 0.00 55.95 54.83 3gxd s SER 484 Cb -0.09 -2.15 -0.13 0.00 -1.71 0.00 0.00 66.02 61.94 3gxd s SER 484 CO 0.02 -0.73 1.19 -2.65 1.20 0.00 0.00 173.24 172.27 3gxd n PRO 485 N 5.16 1.83 -1.75 5.44 -0.02 -1.26 -1.36 135.00 143.04 3gxd n PRO 485 Ca -0.12 0.64 -0.40 0.00 -2.02 0.00 0.00 63.50 61.60 3gxd n PRO 485 Cb 0.42 -2.17 0.02 0.00 -0.02 0.00 0.00 33.50 31.75 3gxd n PRO 485 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxd n GLY 486 N 0.93 0.95 3.50 -1.23 0.00 -1.23 -1.80 105.19 106.31 3gxd n GLY 486 Ca 0.07 0.19 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 3gxd n GLY 486 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxd n TYR 487 N -0.17 -2.14 -4.35 1.61 0.53 -0.62 -4.87 117.16 107.14 3gxd n TYR 487 Ca 0.05 0.83 -0.18 0.00 -1.02 0.00 0.00 57.90 57.58 3gxd n TYR 487 Cb 0.41 -4.40 -0.10 0.00 -1.03 0.00 0.00 39.34 34.21 3gxd n TYR 487 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 3gxd s SER 488 N -3.98 1.85 -0.02 7.72 1.04 -0.75 -2.72 113.70 116.84 3gxd s SER 488 Ca 0.19 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.34 3gxd s SER 488 Cb -0.04 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.12 3gxd s SER 488 CO 0.77 -0.57 0.01 -0.51 0.98 0.00 0.00 173.24 173.93 3gxd s ILE 489 N -3.45 0.07 0.12 -1.02 2.07 -0.55 -1.29 121.20 117.15 3gxd s ILE 489 Ca 0.32 0.12 0.11 0.00 -1.41 0.00 0.00 60.65 59.79 3gxd s ILE 489 Cb 0.07 -0.17 -0.04 0.00 0.13 0.00 0.00 42.46 42.45 3gxd s ILE 489 CO 0.11 0.11 -0.27 -1.00 -1.91 0.00 0.00 174.94 171.98 3gxd s HIS 490 N 0.91 2.30 -0.13 3.50 3.76 1.00 -2.04 115.29 124.58 3gxd s HIS 490 Ca -0.08 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.45 3gxd s HIS 490 Cb -0.12 -1.27 0.02 0.00 1.11 0.00 0.00 32.58 32.32 3gxd s HIS 490 CO -0.02 0.31 -0.16 0.99 -0.85 0.00 0.00 174.74 175.01 3gxd s THR 491 N -1.02 1.61 -0.17 1.30 2.01 -0.56 -0.52 115.64 118.29 3gxd s THR 491 Ca 0.14 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.39 3gxd s THR 491 Cb -0.10 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 3gxd s THR 491 CO 0.05 0.46 0.04 -0.31 -0.69 0.00 0.00 174.62 174.18 3gxd s TYR 492 N 1.18 3.21 0.04 4.92 1.51 -0.44 -1.30 117.35 126.46 3gxd s TYR 492 Ca -0.02 0.02 0.09 0.00 -1.01 0.00 0.00 57.07 56.16 3gxd s TYR 492 Cb -0.14 -2.02 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 3gxd s TYR 492 CO -0.06 0.17 -0.25 -0.51 -1.11 0.00 0.00 175.55 173.79 3gxd s LEU 493 N 0.20 2.17 -0.03 -1.29 1.02 -0.38 -1.33 118.68 119.03 3gxd s LEU 493 Ca 0.03 -0.58 -0.20 0.00 0.02 0.00 0.00 54.13 53.40 3gxd s LEU 493 Cb -0.13 -1.23 0.04 0.00 0.02 0.00 0.00 46.19 44.89 3gxd s LEU 493 CO 0.01 0.24 0.44 -1.66 0.02 0.00 0.00 176.35 175.40 3gxd s TRP 494 N -0.80 -0.36 0.55 0.29 -2.14 -0.82 -0.22 118.94 115.44 3gxd s TRP 494 Ca 0.11 0.61 -0.20 0.00 2.66 0.00 0.00 56.10 59.27 3gxd s TRP 494 Cb -0.10 0.20 -0.05 0.00 -3.10 0.00 0.00 33.47 30.43 3gxd s TRP 494 CO 0.02 -0.45 1.19 -1.01 -2.66 0.00 0.00 176.95 174.04 3gxd s HIS 495 N -1.20 2.55 -0.21 1.66 3.76 -1.26 -1.29 115.29 119.31 3gxd s HIS 495 Ca -0.12 1.51 0.08 0.00 -0.15 0.00 0.00 55.06 56.38 3gxd s HIS 495 Cb -0.03 -3.44 -0.11 0.00 1.11 0.00 0.00 32.58 30.11 3gxd s HIS 495 CO 0.06 -1.97 0.27 0.54 -0.85 0.00 0.00 174.74 172.79 3gxd n ARG 496 N -1.23 2.40 0.00 1.40 1.74 -1.26 -4.80 116.66 114.91 3gxd n ARG 496 Ca 0.11 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3gxd n ARG 496 Cb 0.49 -1.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.90 3gxd n ARG 496 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11