#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 0.00 -1.51 0.00 1.85 -1.26 -4.57 116.66 111.18 3gxd n ARG 2 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.74 3gxd n ARG 2 Cb 0.00 0.00 0.05 0.00 -1.05 0.00 0.00 32.46 31.46 3gxd n ARG 2 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3gxd n PRO 3 N 0.00 0.29 -2.76 2.89 -0.04 -1.26 -1.46 135.00 132.65 3gxd n PRO 3 Ca 0.00 -1.24 -0.42 0.00 -0.04 0.00 0.00 63.50 61.80 3gxd n PRO 3 Cb 0.00 -0.30 -0.03 0.00 -0.04 0.00 0.00 33.50 33.13 3gxd n PRO 3 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gxd s ILE 5 N 1.34 4.59 0.03 0.00 -1.09 -1.26 -4.99 121.20 119.82 3gxd s ILE 5 Ca 0.48 0.33 -0.30 0.00 -2.23 0.00 0.00 60.65 58.93 3gxd s ILE 5 Cb -0.19 -4.38 -0.04 0.00 -1.58 0.00 0.00 42.46 36.26 3gxd s ILE 5 CO 0.23 -0.84 0.97 -2.84 -1.23 0.00 0.00 174.94 171.23 3gxd s PRO 6 N 3.43 4.59 -0.00 2.79 0.02 -1.26 0.28 135.00 144.86 3gxd s PRO 6 Ca 0.29 1.41 0.07 0.00 0.02 0.00 0.00 61.00 62.80 3gxd s PRO 6 Cb -0.13 -3.44 -0.02 0.00 0.02 0.00 0.00 34.50 30.94 3gxd s PRO 6 CO 0.21 0.03 -0.23 0.21 -0.33 0.00 0.00 177.00 176.88 3gxd s LYS 7 N 0.72 1.82 -0.12 5.54 2.20 -0.50 -4.92 119.74 124.48 3gxd s LYS 7 Ca 0.50 -0.89 -0.06 0.00 -0.36 0.00 0.00 55.97 55.17 3gxd s LYS 7 Cb -0.22 -1.81 -0.04 0.00 -1.51 0.00 0.00 37.83 34.26 3gxd s LYS 7 CO 0.28 0.49 0.10 0.45 -0.36 0.00 0.00 175.35 176.31 3gxd s SER 8 N -0.72 6.07 -0.06 1.43 0.15 -1.26 -0.86 113.70 118.46 3gxd s SER 8 Ca 0.09 0.37 0.10 0.00 0.70 0.00 0.00 55.95 57.21 3gxd s SER 8 Cb -0.09 -1.92 0.27 0.00 -1.71 0.00 0.00 66.02 62.56 3gxd s SER 8 CO -0.00 0.38 1.20 0.49 1.20 0.00 0.00 173.24 176.52 3gxd n PHE 9 N 2.15 0.37 -0.03 3.44 3.01 -1.26 -4.99 117.46 120.14 3gxd n PHE 9 Ca -0.19 -0.66 0.00 0.00 1.01 0.00 0.00 57.45 57.61 3gxd n PHE 9 Cb 0.54 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 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 -0.28 0.47 0.00 1.37 0.00 -1.26 -4.98 105.19 100.51 3gxd n GLY 10 Ca 0.11 0.00 0.00 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 -2.00 0.00 1.25 1.61 0.53 -1.26 -4.98 117.16 112.30 3gxd n TYR 11 Ca 0.00 0.00 0.14 0.00 -1.02 0.00 0.00 57.90 57.02 3gxd n TYR 11 Cb 0.00 0.00 0.68 0.00 -1.03 0.00 0.00 39.34 38.99 3gxd n TYR 11 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 3gxd n SER 12 N 0.00 0.00 -3.09 7.72 3.41 -1.23 -4.90 113.62 115.53 3gxd n SER 12 Ca 0.00 -0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.51 3gxd n SER 12 Cb 0.00 -0.32 0.01 0.00 -0.26 0.00 0.00 64.21 63.64 3gxd n SER 12 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3gxd s SER 13 N -2.64 0.08 0.26 4.04 0.15 0.92 -4.79 113.70 111.71 3gxd s SER 13 Ca 0.24 -1.12 0.06 0.00 0.70 0.00 0.00 55.95 55.83 3gxd s SER 13 Cb 0.18 0.81 -0.03 0.00 -1.71 0.00 0.00 66.02 65.28 3gxd s SER 13 CO 0.44 -1.60 0.32 0.68 1.20 0.00 0.00 173.24 174.28 3gxd s VAL 14 N -2.61 4.83 0.31 4.45 -7.23 -1.26 -4.35 120.40 114.54 3gxd s VAL 14 Ca 0.17 -1.13 0.07 0.00 -1.81 0.00 0.00 61.98 59.27 3gxd s VAL 14 Cb -0.05 -3.65 -0.02 0.00 0.56 0.00 0.00 36.38 33.22 3gxd s VAL 14 CO 0.12 -0.31 0.36 0.68 -0.31 0.00 0.00 175.10 175.64 3gxd s VAL 15 N -2.06 4.10 -0.22 1.32 -7.23 -0.04 -4.40 120.40 111.88 3gxd s VAL 15 Ca 0.35 -1.17 -0.11 0.00 -1.81 0.00 0.00 61.98 59.24 3gxd s VAL 15 Cb -0.09 -3.40 -0.05 0.00 0.56 0.00 0.00 36.38 33.41 3gxd s VAL 15 CO 0.28 -0.21 0.20 0.00 -0.31 0.00 0.00 175.10 175.06 3gxd s VAL 17 N 0.93 5.09 0.37 0.00 1.01 0.14 -0.71 120.40 127.24 3gxd s VAL 17 Ca 0.10 1.09 0.08 0.00 0.00 0.00 0.00 61.98 63.25 3gxd s VAL 17 Cb -0.13 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 3gxd s VAL 17 CO 0.04 0.20 0.03 0.00 0.00 0.00 0.00 175.10 175.37 3gxd n ASN 19 N -0.99 0.00 0.27 0.00 0.23 -0.21 -1.63 115.26 112.93 3gxd n ASN 19 Ca -0.04 -0.66 0.12 0.00 -0.53 0.00 0.00 54.58 53.47 3gxd n ASN 19 Cb 0.64 0.00 0.76 0.00 -2.08 0.00 0.00 39.78 39.11 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 2.00 1.44 0.00 -2.53 0.00 -1.90 -3.22 119.26 115.05 3gxd h ALA 20 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gxd h ALA 20 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3gxd h ALA 20 CO 0.00 0.10 -0.90 0.25 0.00 0.00 0.00 179.25 178.70 3gxd n THR 21 N -3.82 0.00 -4.16 0.00 -2.24 -1.26 -4.04 114.28 98.75 3gxd n THR 21 Ca -0.02 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.51 3gxd n THR 21 Cb 0.18 0.44 -0.17 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.80 1.34 -0.02 4.78 5.04 -1.21 -5.12 117.35 120.36 3gxd s TYR 22 Ca 0.00 -0.57 -0.00 0.00 -2.44 0.00 0.00 57.07 54.05 3gxd s TYR 22 Cb 0.00 -1.09 0.02 0.00 0.35 0.00 0.00 41.96 41.25 3gxd s TYR 22 CO 0.00 -0.38 0.03 0.00 -1.34 0.00 0.00 175.55 173.86 3gxd n ASP 24 N 3.97 2.86 -3.64 0.00 5.75 -1.26 -4.81 116.55 119.42 3gxd n ASP 24 Ca -0.25 1.11 -0.09 0.00 -0.01 0.00 0.00 54.79 55.55 3gxd n ASP 24 Cb 0.52 -1.54 -0.02 0.00 -1.03 0.00 0.00 41.12 39.05 3gxd n ASP 24 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3gxd s SER 25 N -0.51 -0.41 0.46 -1.12 1.04 -0.54 -5.00 113.70 107.62 3gxd s SER 25 Ca 0.61 -0.29 -0.00 0.00 0.48 0.00 0.00 55.95 56.75 3gxd s SER 25 Cb -0.48 0.65 -0.00 0.00 0.10 0.00 0.00 66.02 66.28 3gxd s SER 25 CO 0.58 -1.14 0.68 -0.36 0.98 0.00 0.00 173.24 173.98 3gxd s PHE 26 N -3.80 3.23 0.68 5.02 0.40 -0.67 -4.20 117.98 118.63 3gxd s PHE 26 Ca 0.06 0.26 -0.11 0.00 -0.60 0.00 0.00 56.93 56.54 3gxd s PHE 26 Cb -0.03 -2.33 -0.00 0.00 0.51 0.00 0.00 43.02 41.16 3gxd s PHE 26 CO -0.03 -0.37 1.05 -0.51 0.70 0.00 0.00 175.22 176.06 3gxd s ASP 27 N -4.22 5.62 0.39 1.36 1.01 -1.26 -4.58 116.67 114.99 3gxd s ASP 27 Ca 0.48 1.51 -0.26 0.00 0.71 0.00 0.00 52.55 55.00 3gxd s ASP 27 Cb -0.10 -2.44 -0.11 0.00 1.01 0.00 0.00 42.92 41.28 3gxd s ASP 27 CO 0.38 -1.27 1.17 -2.65 0.21 0.00 0.00 175.17 173.02 3gxd n PRO 28 N -3.01 1.76 -1.30 8.23 -0.02 -1.26 -4.75 135.00 134.64 3gxd n PRO 28 Ca 0.07 0.62 -0.35 0.00 -2.02 0.00 0.00 63.50 61.82 3gxd n PRO 28 Cb 0.54 -2.21 0.09 0.00 -0.02 0.00 0.00 33.50 31.89 3gxd n PRO 28 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3gxd n PRO 29 N 0.28 0.42 -3.64 0.52 -0.04 -1.26 -5.02 135.00 126.25 3gxd n PRO 29 Ca 0.07 0.20 -0.23 0.00 -0.04 0.00 0.00 63.50 63.50 3gxd n PRO 29 Cb 0.38 -2.16 -0.17 0.00 -0.04 0.00 0.00 33.50 31.50 3gxd n PRO 29 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3gxd s THR 30 N -1.87 -0.07 -0.32 0.52 2.01 -1.26 -5.11 115.64 109.54 3gxd s THR 30 Ca 0.71 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 62.50 3gxd s THR 30 Cb -0.34 -0.41 -0.13 0.00 0.01 0.00 0.00 72.50 71.64 3gxd s THR 30 CO 0.52 -0.07 1.19 2.22 -0.69 0.00 0.00 174.62 177.79 3gxd n PHE 31 N 5.28 0.97 -2.57 4.92 -1.74 -1.26 -4.97 117.46 118.10 3gxd n PHE 31 Ca -0.05 0.64 -0.36 0.00 -0.56 0.00 0.00 57.45 57.11 3gxd n PHE 31 Cb 0.49 -1.46 -0.04 0.00 1.52 0.00 0.00 39.48 39.99 3gxd n PHE 31 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 3gxd s PRO 32 N 2.79 4.20 0.37 3.97 0.05 -1.26 -5.03 135.00 140.09 3gxd s PRO 32 Ca 0.72 1.49 -0.26 0.00 0.05 0.00 0.00 61.00 63.00 3gxd s PRO 32 Cb -0.97 -2.55 -0.09 0.00 0.05 0.00 0.00 34.50 30.94 3gxd s PRO 32 CO 0.49 -0.11 1.20 0.00 0.05 0.00 0.00 177.00 178.63 3gxd s ALA 33 N -1.67 3.26 0.17 8.56 0.00 -1.26 -4.51 121.76 126.31 3gxd s ALA 33 Ca 0.57 1.04 -0.33 0.00 0.00 0.00 0.00 51.96 53.24 3gxd s ALA 33 Cb -0.21 -3.40 -0.15 0.00 0.00 0.00 0.00 23.12 19.36 3gxd s ALA 33 CO 0.27 -0.53 1.39 -0.11 0.00 0.00 0.00 175.76 176.77 3gxd n LEU 34 N 0.35 2.44 0.00 0.00 7.94 -1.26 -1.87 117.00 124.60 3gxd n LEU 34 Ca 0.03 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 3gxd n LEU 34 Cb 0.45 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 43.07 3gxd n LEU 34 CO 0.53 -0.73 0.00 0.61 -1.11 0.00 0.00 177.39 176.69 3gxd n GLY 35 N 2.55 1.83 3.51 -3.96 0.00 -1.26 -5.09 105.19 102.77 3gxd n GLY 35 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.01 2.97 0.08 2.61 -4.23 -0.78 -0.15 115.64 114.13 3gxd s THR 36 Ca 0.00 -1.40 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 3gxd s THR 36 Cb 0.00 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.45 3gxd s THR 36 CO 0.00 0.14 0.08 0.72 -0.54 0.00 0.00 174.62 175.02 3gxd s PHE 37 N -1.13 3.20 0.03 3.99 -0.12 0.34 -4.59 117.98 119.68 3gxd s PHE 37 Ca 0.18 0.08 -0.07 0.00 -0.05 0.00 0.00 56.93 57.07 3gxd s PHE 37 Cb -0.11 -1.62 -0.05 0.00 -0.63 0.00 0.00 43.02 40.61 3gxd s PHE 37 CO 0.10 0.52 0.29 -1.12 -0.05 0.00 0.00 175.22 174.97 3gxd s SER 38 N -2.41 6.52 -0.12 1.98 0.01 -0.20 -0.76 113.70 118.73 3gxd s SER 38 Ca 0.29 0.60 -0.04 0.00 1.31 0.00 0.00 55.95 58.11 3gxd s SER 38 Cb -0.12 -2.10 0.05 0.00 0.21 0.00 0.00 66.02 64.06 3gxd s SER 38 CO 0.22 0.23 0.11 -0.60 0.41 0.00 0.00 173.24 173.61 3gxd s ARG 39 N -1.83 0.03 -0.09 12.44 3.00 0.89 -1.27 118.95 132.12 3gxd s ARG 39 Ca 0.29 0.21 -0.15 0.00 -1.00 0.00 0.00 55.73 55.07 3gxd s ARG 39 Cb -0.13 -1.08 -0.05 0.00 0.00 0.00 0.00 34.95 33.69 3gxd s ARG 39 CO 0.17 -0.50 0.39 0.71 0.00 0.00 0.00 175.30 176.07 3gxd s TYR 40 N 2.20 3.58 0.05 5.12 1.51 -0.53 -1.65 117.35 127.62 3gxd s TYR 40 Ca 0.04 0.84 0.05 0.00 -1.01 0.00 0.00 57.07 56.99 3gxd s TYR 40 Cb -0.14 -2.38 -0.02 0.00 -0.11 0.00 0.00 41.96 39.31 3gxd s TYR 40 CO -0.07 0.38 -0.15 -2.00 -1.11 0.00 0.00 175.55 172.60 3gxd s GLU 41 N -0.09 0.98 -0.01 -0.62 2.12 -1.09 -1.36 118.70 118.63 3gxd s GLU 41 Ca 0.22 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.73 3gxd s GLU 41 Cb -0.15 -1.01 0.02 0.00 0.26 0.00 0.00 34.13 33.24 3gxd s GLU 41 CO 0.09 0.25 0.01 -1.12 -0.54 0.00 0.00 175.26 173.95 3gxd s SER 42 N -1.25 0.10 0.08 -1.70 0.01 -0.91 0.72 113.70 110.74 3gxd s SER 42 Ca 0.02 0.01 0.05 0.00 1.31 0.00 0.00 55.95 57.35 3gxd s SER 42 Cb -0.08 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.06 3gxd s SER 42 CO 0.02 -0.07 -0.14 0.42 0.41 0.00 0.00 173.24 173.87 3gxd s THR 43 N 0.61 1.14 0.22 1.44 -4.23 -0.38 -1.58 115.64 112.86 3gxd s THR 43 Ca -0.05 -1.36 -0.13 0.00 -1.18 0.00 0.00 61.69 58.97 3gxd s THR 43 Cb -0.08 -1.13 0.27 0.00 1.34 0.00 0.00 72.50 72.90 3gxd s THR 43 CO -0.02 -0.25 1.61 -0.09 -0.54 0.00 0.00 174.62 175.34 3gxd h ARG 44 N 4.20 -0.01 0.00 3.99 2.43 -1.80 0.95 114.38 124.14 3gxd h ARG 44 Ca -0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3gxd h ARG 44 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3gxd h ARG 44 CO 0.41 -0.00 0.00 -1.13 -1.51 0.00 0.00 179.97 177.74 3gxd n SER 45 N -5.47 0.00 0.00 -3.80 3.41 -1.26 -4.59 113.62 101.91 3gxd n SER 45 Ca 0.09 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 3gxd n SER 45 Cb 0.36 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3gxd n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gxd n GLY 46 N 0.02 0.10 3.78 5.00 0.00 0.32 -5.00 105.19 109.40 3gxd n GLY 46 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 4.06 -0.31 1.61 0.52 -1.21 -4.82 118.95 118.80 3gxd s ARG 47 Ca 0.00 1.64 -0.02 0.00 -0.52 0.00 0.00 55.73 56.83 3gxd s ARG 47 Cb 0.00 -2.55 0.10 0.00 0.52 0.00 0.00 34.95 33.02 3gxd s ARG 47 CO 0.00 -0.26 0.12 1.03 0.02 0.00 0.00 175.30 176.21 3gxd s ARG 48 N -2.48 0.55 -1.47 3.54 1.81 -1.26 -1.24 118.95 118.40 3gxd s ARG 48 Ca 0.59 -0.94 -0.14 0.00 -1.72 0.00 0.00 55.73 53.52 3gxd s ARG 48 Cb -0.25 -1.68 0.11 0.00 -0.45 0.00 0.00 34.95 32.68 3gxd s ARG 48 CO 0.31 -1.02 0.67 -1.33 -0.68 0.00 0.00 175.30 173.26 3gxd n MET 49 N 4.88 -3.59 -1.73 3.54 2.81 0.22 -4.91 117.12 118.35 3gxd n MET 49 Ca -0.02 0.44 -0.42 0.00 -1.81 0.00 0.00 57.70 55.89 3gxd n MET 49 Cb 0.41 -5.19 -0.03 0.00 -0.71 0.00 0.00 33.22 27.71 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 -6.44 4.15 0.15 0.03 2.02 -0.84 -4.65 118.70 113.11 3gxd s GLU 50 Ca 0.57 2.56 -0.28 0.00 0.02 0.00 0.00 54.97 57.85 3gxd s GLU 50 Cb -0.30 -3.88 -0.07 0.00 0.10 0.00 0.00 34.13 29.97 3gxd s GLU 50 CO 0.70 -0.89 0.86 -1.17 0.02 0.00 0.00 175.26 174.78 3gxd s LEU 51 N 3.61 4.56 0.15 1.80 2.96 -1.26 -2.67 118.68 127.82 3gxd s LEU 51 Ca 0.83 1.72 -0.08 0.00 -0.22 0.00 0.00 54.13 56.38 3gxd s LEU 51 Cb -0.43 -3.43 -0.01 0.00 0.50 0.00 0.00 46.19 42.82 3gxd s LEU 51 CO 0.38 0.09 0.25 -0.94 -1.32 0.00 0.00 176.35 174.81 3gxd s SER 52 N -0.67 0.08 0.11 3.68 1.04 -0.66 -5.00 113.70 112.27 3gxd s SER 52 Ca 0.40 -0.86 0.01 0.00 0.48 0.00 0.00 55.95 55.98 3gxd s SER 52 Cb -0.23 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.25 3gxd s SER 52 CO 0.28 -0.85 -0.04 -0.32 0.98 0.00 0.00 173.24 173.30 3gxd s MET 53 N -3.95 0.87 0.27 4.02 1.75 -1.26 -0.08 119.30 120.91 3gxd s MET 53 Ca 0.15 -1.37 -0.21 0.00 -1.25 0.00 0.00 55.69 53.02 3gxd s MET 53 Cb 0.04 -0.11 0.03 0.00 2.84 0.00 0.00 34.83 37.63 3gxd s MET 53 CO -0.02 -0.08 0.77 0.20 -0.65 0.00 0.00 175.02 175.24 3gxd s GLY 54 N -3.05 -0.06 -0.05 2.11 0.00 0.06 -4.96 107.32 101.37 3gxd s GLY 54 Ca 0.15 -0.29 -0.11 0.00 0.00 0.00 0.00 44.72 44.46 3gxd s GLY 54 CO -0.03 -0.06 0.29 2.56 0.00 0.00 0.00 173.10 175.86 3gxd s PRO 55 N -3.62 3.70 -0.65 2.90 0.04 -1.26 -0.51 135.00 135.60 3gxd s PRO 55 Ca 0.12 0.16 -0.21 0.00 0.04 0.00 0.00 61.00 61.10 3gxd s PRO 55 Cb -0.05 -3.20 0.08 0.00 0.04 0.00 0.00 34.50 31.37 3gxd s PRO 55 CO 0.07 0.73 0.89 0.42 0.04 0.00 0.00 177.00 179.15 3gxd s ILE 56 N -1.07 4.48 0.47 0.56 1.01 0.78 -4.48 121.20 122.96 3gxd s ILE 56 Ca 0.20 -0.59 -0.24 0.00 0.00 0.00 0.00 60.65 60.02 3gxd s ILE 56 Cb -0.15 -4.63 -0.07 0.00 0.01 0.00 0.00 42.46 37.62 3gxd s ILE 56 CO 0.09 -1.36 1.29 -1.10 0.00 0.00 0.00 174.94 173.86 3gxd s GLN 57 N 3.61 3.62 0.36 2.79 -0.21 -0.48 -4.70 119.66 124.65 3gxd s GLN 57 Ca 0.19 2.09 0.24 0.00 0.02 0.00 0.00 55.36 57.91 3gxd s GLN 57 Cb -0.19 -2.49 0.52 0.00 1.00 0.00 0.00 33.01 31.85 3gxd s GLN 57 CO 0.08 -0.76 1.67 0.00 -2.12 0.00 0.00 175.29 174.17 3gxd h ALA 58 N 2.09 1.00 -3.15 6.09 0.00 -1.88 0.12 119.26 123.53 3gxd h ALA 58 Ca -0.50 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 53.85 3gxd h ALA 58 Cb 1.26 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.87 3gxd h ALA 58 CO 0.60 0.00 -0.80 -0.80 0.00 0.00 0.00 179.25 178.25 3gxd s ASN 59 N -5.61 2.79 -0.06 0.00 -0.87 -1.26 -4.76 114.94 105.18 3gxd s ASN 59 Ca 0.08 -0.82 -0.10 0.00 -1.57 0.00 0.00 52.86 50.44 3gxd s ASN 59 Cb 0.08 -0.17 0.02 0.00 -0.02 0.00 0.00 41.25 41.16 3gxd s ASN 59 CO 0.64 0.02 0.26 -2.28 -2.57 0.00 0.00 177.10 173.16 3gxd s HIS 60 N -1.77 -0.20 -0.43 2.20 2.46 -1.26 -4.86 115.29 111.42 3gxd s HIS 60 Ca 0.14 0.45 -0.02 0.00 0.47 0.00 0.00 55.06 56.10 3gxd s HIS 60 Cb -0.07 0.07 0.12 0.00 -0.13 0.00 0.00 32.58 32.57 3gxd s HIS 60 CO 0.07 -0.24 0.21 0.95 -2.47 0.00 0.00 174.74 173.26 3gxd s THR 61 N -0.53 3.19 0.00 0.89 -4.23 -1.26 -5.11 115.64 108.60 3gxd s THR 61 Ca -0.06 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.22 3gxd s THR 61 Cb -0.04 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.61 3gxd s THR 61 CO 0.02 -0.70 0.00 0.61 -0.54 0.00 0.00 174.62 174.00 3gxd n GLY 62 N 4.39 -0.96 0.00 3.99 0.00 -1.26 -4.86 105.19 106.49 3gxd n GLY 62 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.19 0.00 -0.73 2.61 -2.24 -1.26 -5.04 114.28 107.43 3gxd n THR 63 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3gxd n THR 63 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.17 -0.03 3.80 3.38 0.00 -1.26 -5.05 105.19 105.86 3gxd n GLY 64 Ca 0.00 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 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 4.32 -0.05 0.99 2.96 -1.25 -4.93 118.68 120.73 3gxd s LEU 65 Ca 0.00 1.56 -0.03 0.00 -0.22 0.00 0.00 54.13 55.45 3gxd s LEU 65 Cb 0.00 -3.77 0.03 0.00 0.50 0.00 0.00 46.19 42.94 3gxd s LEU 65 CO 0.00 -0.02 0.11 -0.22 -1.32 0.00 0.00 176.35 174.90 3gxd s LEU 66 N -2.06 1.15 -0.11 -0.68 2.96 -1.26 -1.44 118.68 117.24 3gxd s LEU 66 Ca 0.46 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.61 3gxd s LEU 66 Cb -0.17 0.29 0.01 0.00 0.50 0.00 0.00 46.19 46.83 3gxd s LEU 66 CO 0.22 -0.10 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.22 3gxd s LEU 67 N 0.69 1.82 -0.19 -0.68 1.43 -0.90 0.17 118.68 121.02 3gxd s LEU 67 Ca -0.05 -0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 52.53 3gxd s LEU 67 Cb -0.07 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 3gxd s LEU 67 CO -0.03 0.04 0.00 -0.89 0.23 0.00 0.00 176.35 175.70 3gxd s THR 68 N 0.89 4.08 0.08 5.49 2.01 0.43 -0.62 115.64 128.00 3gxd s THR 68 Ca -0.08 -0.28 -0.31 0.00 0.31 0.00 0.00 61.69 61.33 3gxd s THR 68 Cb -0.15 -2.83 -0.07 0.00 0.01 0.00 0.00 72.50 69.46 3gxd s THR 68 CO -0.01 0.45 1.38 -0.22 -0.69 0.00 0.00 174.62 175.53 3gxd s LEU 69 N 0.73 4.36 -0.89 4.42 2.96 0.96 -2.19 118.68 129.02 3gxd s LEU 69 Ca 0.00 2.24 -0.01 0.00 -0.22 0.00 0.00 54.13 56.15 3gxd s LEU 69 Cb -0.14 -3.58 0.25 0.00 0.50 0.00 0.00 46.19 43.22 3gxd s LEU 69 CO 0.02 -0.65 0.95 0.00 -1.32 0.00 0.00 176.35 175.35 3gxd n GLN 70 N 4.31 3.08 0.12 1.98 6.02 -0.69 -4.57 117.38 127.63 3gxd n GLN 70 Ca 0.12 -4.54 0.07 0.00 -0.01 0.00 0.00 57.00 52.64 3gxd n GLN 70 Cb 0.43 -2.41 0.40 0.00 1.02 0.00 0.00 30.24 29.68 3gxd n GLN 70 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3gxd n PRO 71 N 1.75 0.10 0.02 -1.09 -0.02 -1.26 -1.39 135.00 133.11 3gxd n PRO 71 Ca 0.25 0.58 -0.22 0.00 -2.02 0.00 0.00 63.50 62.09 3gxd n PRO 71 Cb 0.37 -1.87 -0.14 0.00 -0.02 0.00 0.00 33.50 31.83 3gxd n PRO 71 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3gxd h GLU 72 N 0.00 0.29 -5.61 -0.52 4.39 -1.96 -3.44 114.58 107.73 3gxd h GLU 72 Ca 0.00 -0.50 -0.50 0.00 0.34 0.00 0.00 59.36 58.69 3gxd h GLU 72 Cb 0.12 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3gxd h GLU 72 CO 0.00 1.24 1.62 1.04 -1.16 0.00 0.00 179.01 181.75 3gxd n GLN 73 N -3.58 1.03 -3.52 2.33 1.13 -0.48 -4.98 117.38 109.30 3gxd n GLN 73 Ca -0.29 0.09 -0.31 0.00 -1.94 0.00 0.00 57.00 54.55 3gxd n GLN 73 Cb 1.03 -3.07 -0.04 0.00 0.11 0.00 0.00 30.24 28.27 3gxd n GLN 73 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3gxd s LYS 74 N 7.94 3.67 0.00 -1.09 1.02 -1.26 -3.41 119.74 126.61 3gxd s LYS 74 Ca 1.05 0.03 0.00 0.00 0.02 0.00 0.00 55.97 57.06 3gxd s LYS 74 Cb -0.40 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 3gxd s LYS 74 CO 0.33 0.36 0.00 1.19 -0.92 0.00 0.00 175.35 176.31 3gxd n PHE 75 N -0.26 0.00 -2.35 3.18 3.01 0.32 -4.96 117.46 116.40 3gxd n PHE 75 Ca -0.01 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.05 3gxd n PHE 75 Cb 0.53 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.97 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 4.60 4.32 0.54 -1.08 0.00 -1.26 -4.62 119.66 122.15 3gxd s GLN 76 Ca 0.00 1.85 -0.16 0.00 -0.00 0.00 0.00 55.36 57.05 3gxd s GLN 76 Cb 0.00 -2.90 -0.07 0.00 0.00 0.00 0.00 33.01 30.04 3gxd s GLN 76 CO 0.00 -0.10 1.01 0.15 0.00 0.00 0.00 175.29 176.35 3gxd s LYS 77 N -1.94 3.78 -0.17 9.60 1.02 -1.26 -1.70 119.74 129.06 3gxd s LYS 77 Ca 0.51 1.01 -0.05 0.00 0.02 0.00 0.00 55.97 57.47 3gxd s LYS 77 Cb -0.32 -2.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.86 3gxd s LYS 77 CO 0.41 -0.42 -0.01 0.08 -0.92 0.00 0.00 175.35 174.49 3gxd s VAL 78 N -2.60 4.04 -0.18 3.17 1.01 0.16 -4.71 120.40 121.30 3gxd s VAL 78 Ca 0.60 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.08 3gxd s VAL 78 Cb -0.11 -2.79 -0.17 0.00 0.00 0.00 0.00 36.38 33.30 3gxd s VAL 78 CO 0.33 0.47 0.28 0.50 0.00 0.00 0.00 175.10 176.68 3gxd h LYS 79 N 6.91 0.00 0.00 2.72 1.63 -0.51 0.93 116.57 128.24 3gxd h LYS 79 Ca -0.33 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 3gxd h LYS 79 Cb 1.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 3gxd h LYS 79 CO 0.63 0.80 0.00 0.41 -3.45 0.00 0.00 179.45 177.85 3gxd n GLY 80 N 1.52 -0.40 3.16 5.01 0.00 -1.17 -4.51 105.19 108.79 3gxd n GLY 80 Ca -0.22 -1.34 -0.15 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.91 1.04 -0.20 1.61 0.40 -1.26 -0.66 117.98 116.00 3gxd s PHE 81 Ca 0.00 -0.58 0.00 0.00 -0.60 0.00 0.00 56.93 55.75 3gxd s PHE 81 Cb 0.00 -0.58 0.00 0.00 0.51 0.00 0.00 43.02 42.95 3gxd s PHE 81 CO 0.00 0.00 0.00 0.41 0.70 0.00 0.00 175.22 176.33 3gxd n GLY 82 N 0.88 -0.79 3.27 4.36 0.00 -1.03 -1.00 105.19 110.88 3gxd n GLY 82 Ca -0.18 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 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 1.78 3.41 -0.02 0.00 -1.16 -1.29 105.19 107.91 3gxd n GLY 83 Ca 0.00 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.46 3.02 -0.93 4.61 0.00 -0.32 -1.11 121.76 124.57 3gxd s ALA 84 Ca 0.23 -1.10 -0.21 0.00 0.00 0.00 0.00 51.96 50.88 3gxd s ALA 84 Cb -0.02 -1.88 -0.12 0.00 0.00 0.00 0.00 23.12 21.10 3gxd s ALA 84 CO 0.17 -0.37 1.97 -0.12 0.00 0.00 0.00 175.76 177.40 3gxd n MET 85 N 4.69 1.76 -1.16 0.00 1.56 -0.53 -2.30 117.12 121.14 3gxd n MET 85 Ca -0.17 -2.05 -0.30 0.00 -0.27 0.00 0.00 57.70 54.91 3gxd n MET 85 Cb 0.51 -3.06 0.13 0.00 2.15 0.00 0.00 33.22 32.95 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 5.24 2.79 0.18 1.12 -4.23 -1.26 -4.43 115.64 115.05 3gxd s THR 86 Ca 0.57 0.26 -0.16 0.00 -1.18 0.00 0.00 61.69 61.17 3gxd s THR 86 Cb 0.13 -2.69 0.15 0.00 1.34 0.00 0.00 72.50 71.43 3gxd s THR 86 CO 0.09 -0.33 1.64 0.44 -0.54 0.00 0.00 174.62 175.92 3gxd h ASP 87 N -1.49 -0.54 -0.03 3.99 3.32 -1.93 0.39 116.42 120.13 3gxd h ASP 87 Ca -0.48 0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 3gxd h ASP 87 Cb 1.27 0.34 -0.00 0.00 0.22 0.00 0.00 39.33 41.15 3gxd h ASP 87 CO 0.52 -0.19 0.01 0.00 -1.72 0.00 0.00 179.24 177.87 3gxd h ALA 88 N 1.43 0.04 -0.24 3.45 0.00 -0.90 0.51 119.26 123.54 3gxd h ALA 88 Ca 0.24 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.13 3gxd h ALA 88 Cb 0.39 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3gxd h ALA 88 CO -0.53 -0.38 -0.14 0.00 0.00 0.00 0.00 179.25 178.21 3gxd h ALA 89 N 0.86 0.05 -0.86 0.00 0.00 -1.56 -1.29 119.26 116.48 3gxd h ALA 89 Ca 0.01 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.13 3gxd h ALA 89 Cb 0.15 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 3gxd h ALA 89 CO -0.00 -0.55 0.48 0.00 0.00 0.00 0.00 179.25 179.18 3gxd h ALA 90 N 1.07 1.25 0.10 0.00 0.00 0.77 -2.49 119.26 119.96 3gxd h ALA 90 Ca 0.13 0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.81 3gxd h ALA 90 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3gxd h ALA 90 CO -0.31 0.06 -1.38 1.37 0.00 0.00 0.00 179.25 178.98 3gxd h LEU 91 N 0.76 0.34 -1.12 0.00 8.10 -0.70 -2.23 115.31 120.47 3gxd h LEU 91 Ca 0.43 -0.42 -0.01 0.00 0.11 0.00 0.00 57.88 57.99 3gxd h LEU 91 Cb 0.47 -0.11 -0.04 0.00 -0.44 0.00 0.00 40.66 40.54 3gxd h LEU 91 CO -0.29 1.34 0.47 0.78 -4.11 0.00 0.00 178.44 176.64 3gxd h ASN 92 N 0.06 0.95 0.15 0.17 2.35 -0.94 -2.50 115.58 115.82 3gxd h ASN 92 Ca -0.18 -0.06 -0.28 0.00 -0.55 0.00 0.00 56.30 55.23 3gxd h ASN 92 Cb 1.97 -0.24 0.02 0.00 0.05 0.00 0.00 38.32 40.12 3gxd h ASN 92 CO 0.17 0.74 -1.15 0.16 -1.65 0.00 0.00 177.43 175.70 3gxd h ILE 93 N 1.10 1.31 0.00 2.81 3.07 -1.45 -3.04 117.51 121.30 3gxd h ILE 93 Ca 0.28 -2.43 0.00 0.00 1.55 0.00 0.00 64.86 64.27 3gxd h ILE 93 Cb -0.04 2.57 0.00 0.00 -0.27 0.00 0.00 36.82 39.09 3gxd h ILE 93 CO -0.05 0.74 0.00 0.18 -1.05 0.00 0.00 178.15 177.97 3gxd n LEU 94 N -3.79 0.00 -0.04 0.16 4.77 -0.84 -1.98 117.00 115.28 3gxd n LEU 94 Ca -0.12 0.20 0.13 0.00 -0.03 0.00 0.00 56.01 56.19 3gxd n LEU 94 Cb 0.94 -0.20 0.36 0.00 -2.33 0.00 0.00 43.42 42.19 3gxd n LEU 94 CO 0.56 -0.11 0.60 0.00 -1.33 0.00 0.00 177.39 177.12 3gxd n ALA 95 N -1.20 3.22 -2.39 -1.18 0.00 -0.96 -4.88 120.51 113.12 3gxd n ALA 95 Ca 0.08 -0.31 -0.26 0.00 0.00 0.00 0.00 53.44 52.95 3gxd n ALA 95 Cb 0.09 -1.20 -0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.88 3.74 0.56 0.00 1.43 -0.84 -4.98 118.68 115.72 3gxd s LEU 96 Ca 0.15 0.78 -0.21 0.00 -1.03 0.00 0.00 54.13 53.82 3gxd s LEU 96 Cb 0.18 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 3gxd s LEU 96 CO 0.63 -0.50 1.31 -0.94 0.23 0.00 0.00 176.35 177.08 3gxd s SER 97 N -4.09 5.20 0.27 2.29 1.04 -1.26 -4.69 113.70 112.45 3gxd s SER 97 Ca 0.45 2.66 -0.04 0.00 0.48 0.00 0.00 55.95 59.50 3gxd s SER 97 Cb -0.10 -2.63 0.54 0.00 0.10 0.00 0.00 66.02 63.94 3gxd s SER 97 CO 0.42 -1.61 1.61 -0.65 0.98 0.00 0.00 173.24 173.99 3gxd h PRO 98 N 1.26 0.06 -0.29 4.02 0.11 -1.95 -0.40 132.00 134.81 3gxd h PRO 98 Ca -0.51 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 3gxd h PRO 98 Cb 1.30 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3gxd h PRO 98 CO 0.56 0.04 -0.25 -1.35 -0.21 0.00 0.00 178.00 176.79 3gxd h PRO 99 N 0.06 0.57 -0.04 1.05 0.11 -1.90 -2.10 132.00 129.75 3gxd h PRO 99 Ca 0.48 -0.23 -0.04 0.00 0.11 0.00 0.00 66.00 66.33 3gxd h PRO 99 Cb 0.89 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 3gxd h PRO 99 CO -0.79 0.78 -0.16 0.00 -0.21 0.00 0.00 178.00 177.62 3gxd h ALA 100 N 1.22 1.65 -0.29 -0.75 0.00 -1.27 -1.78 119.26 118.05 3gxd h ALA 100 Ca 0.07 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3gxd h ALA 100 Cb 0.71 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3gxd h ALA 100 CO 0.05 0.26 -0.01 1.96 0.00 0.00 0.00 179.25 181.51 3gxd h GLN 101 N 0.06 0.45 0.05 0.00 4.20 -0.55 -2.02 115.11 117.31 3gxd h GLN 101 Ca 0.01 -0.09 -0.27 0.00 0.06 0.00 0.00 58.65 58.36 3gxd h GLN 101 Cb 0.33 -0.07 0.02 0.00 0.30 0.00 0.00 27.48 28.06 3gxd h GLN 101 CO 0.02 0.49 -1.11 -0.91 -0.67 0.00 0.00 178.83 176.65 3gxd h ASN 102 N 0.43 0.78 -0.80 1.46 2.35 -0.88 -2.46 115.58 116.46 3gxd h ASN 102 Ca 0.09 -0.67 0.07 0.00 -0.55 0.00 0.00 56.30 55.24 3gxd h ASN 102 Cb 0.31 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 3gxd h ASN 102 CO 0.01 1.48 0.52 -0.07 -1.65 0.00 0.00 177.43 177.72 3gxd h LEU 103 N 0.29 0.76 0.84 1.61 3.38 -1.43 0.39 115.31 121.16 3gxd h LEU 103 Ca -0.14 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3gxd h LEU 103 Cb 1.77 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 42.37 3gxd h LEU 103 CO 0.21 0.49 -0.40 0.25 0.09 0.00 0.00 178.44 179.07 3gxd h LEU 104 N 0.86 -0.96 -0.57 1.67 6.46 -1.25 -1.87 115.31 119.65 3gxd h LEU 104 Ca 0.35 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 58.18 3gxd h LEU 104 Cb 0.25 0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 40.37 3gxd h LEU 104 CO -0.12 -0.65 0.29 -0.07 -0.62 0.00 0.00 178.44 177.27 3gxd h LEU 105 N -1.19 0.41 -0.82 2.25 3.38 -1.16 -2.30 115.31 115.88 3gxd h LEU 105 Ca -0.12 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.04 3gxd h LEU 105 Cb 0.87 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.48 3gxd h LEU 105 CO 0.19 0.28 0.39 0.11 0.09 0.00 0.00 178.44 179.50 3gxd h LYS 106 N 0.55 0.54 -0.95 1.13 1.57 -0.23 0.15 116.57 119.33 3gxd h LYS 106 Ca 0.26 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.08 3gxd h LYS 106 Cb 0.17 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 3gxd h LYS 106 CO -0.18 0.36 0.61 0.77 -0.57 0.00 0.00 179.45 180.44 3gxd h SER 107 N 0.56 0.95 0.13 0.86 0.02 -0.74 -0.04 113.55 115.29 3gxd h SER 107 Ca 0.45 0.01 -0.26 0.00 -0.84 0.00 0.00 61.79 61.16 3gxd h SER 107 Cb 0.67 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 63.02 3gxd h SER 107 CO -0.38 0.59 -1.26 1.88 -1.14 0.00 0.00 176.83 176.53 3gxd h TYR 108 N 1.07 0.50 0.00 3.45 0.99 -1.40 -1.49 116.97 120.08 3gxd h TYR 108 Ca 0.42 -0.36 -0.03 0.00 2.00 0.00 0.00 58.73 60.76 3gxd h TYR 108 Cb 0.23 -0.02 -0.01 0.00 1.00 0.00 0.00 36.73 37.94 3gxd h TYR 108 CO -0.00 1.49 -1.53 1.19 -0.00 0.00 0.00 178.16 179.31 3gxd n PHE 109 N -3.97 0.00 -1.80 4.88 3.01 0.49 -0.97 117.46 119.10 3gxd n PHE 109 Ca -0.22 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.93 3gxd n PHE 109 Cb 0.89 -0.29 0.03 0.00 -0.01 0.00 0.00 39.48 40.10 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 -3.40 5.63 0.51 4.37 0.15 -0.04 -3.53 113.70 117.38 3gxd s SER 110 Ca -0.04 1.68 0.29 0.00 0.70 0.00 0.00 55.95 58.58 3gxd s SER 110 Cb 0.06 -2.51 0.99 0.00 -1.71 0.00 0.00 66.02 62.86 3gxd s SER 110 CO 0.45 -1.27 1.85 -0.08 1.20 0.00 0.00 173.24 175.38 3gxd h GLU 111 N -0.19 0.00 -0.27 5.44 4.22 -1.84 0.53 114.58 122.47 3gxd h GLU 111 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.99 3gxd h GLU 111 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3gxd h GLU 111 CO 0.57 0.02 0.00 -0.85 -2.18 0.00 0.00 179.01 176.57 3gxd n GLU 112 N -3.11 1.63 0.00 1.92 0.28 -1.26 -4.66 120.64 115.44 3gxd n GLU 112 Ca 0.02 -0.98 0.00 0.00 -0.16 0.00 0.00 57.16 56.03 3gxd n GLU 112 Cb 0.39 -1.23 0.00 0.00 1.43 0.00 0.00 31.44 32.04 3gxd n GLU 112 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3gxd n GLY 113 N 0.95 3.32 0.62 -1.84 0.00 0.18 -1.67 105.19 106.76 3gxd n GLY 113 Ca 0.10 -0.94 0.08 0.00 0.00 0.00 0.00 46.02 45.26 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 1.99 -3.45 -0.61 -5.35 -0.56 -4.89 119.36 106.50 3gxd n ILE 114 Ca 0.00 -1.84 -0.20 0.00 -0.27 0.00 0.00 62.75 60.44 3gxd n ILE 114 Cb 0.00 -0.13 0.08 0.00 -1.74 0.00 0.00 39.64 37.84 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 -0.62 -0.38 3.76 3.28 0.00 -1.13 -2.12 105.19 107.98 3gxd n GLY 115 Ca 0.18 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.30 2.81 0.00 1.61 4.12 -0.14 -4.69 117.35 117.76 3gxd s TYR 116 Ca 0.39 1.12 0.00 0.00 0.02 0.00 0.00 57.07 58.60 3gxd s TYR 116 Cb -0.17 -3.92 0.00 0.00 -1.52 0.00 0.00 41.96 36.35 3gxd s TYR 116 CO 0.67 -2.80 0.20 0.27 0.02 0.00 0.00 175.55 173.91 3gxd n ASN 117 N 1.24 0.40 -4.30 2.29 6.94 -0.17 -4.78 115.26 116.87 3gxd n ASN 117 Ca 0.03 -0.94 -0.32 0.00 -0.02 0.00 0.00 54.58 53.34 3gxd n ASN 117 Cb 0.40 0.04 -0.16 0.00 -2.36 0.00 0.00 39.78 37.69 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 -0.04 2.28 -0.09 1.53 -1.09 -0.35 0.13 121.20 123.58 3gxd s ILE 118 Ca 0.00 -0.99 -0.00 0.00 -2.23 0.00 0.00 60.65 57.43 3gxd s ILE 118 Cb 0.00 -1.85 0.02 0.00 -1.58 0.00 0.00 42.46 39.06 3gxd s ILE 118 CO 0.00 0.57 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.59 3gxd s ILE 119 N -0.18 0.80 0.07 2.92 1.01 -0.82 -2.97 121.20 122.02 3gxd s ILE 119 Ca -0.02 -0.18 -0.22 0.00 0.00 0.00 0.00 60.65 60.22 3gxd s ILE 119 Cb -0.14 -0.84 -0.06 0.00 0.01 0.00 0.00 42.46 41.43 3gxd s ILE 119 CO 0.03 0.32 0.67 -0.60 0.00 0.00 0.00 174.94 175.37 3gxd s ARG 120 N 1.52 4.39 -0.13 2.79 3.52 -0.27 -0.88 118.95 129.88 3gxd s ARG 120 Ca 0.00 0.92 0.01 0.00 -0.13 0.00 0.00 55.73 56.52 3gxd s ARG 120 Cb -0.13 -3.30 0.02 0.00 -1.56 0.00 0.00 34.95 29.98 3gxd s ARG 120 CO -0.05 0.46 -0.14 0.08 -0.81 0.00 0.00 175.30 174.85 3gxd s VAL 121 N -0.62 1.53 0.24 7.11 1.01 0.23 -1.46 120.40 128.45 3gxd s VAL 121 Ca 0.33 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 3gxd s VAL 121 Cb -0.20 -1.43 -0.09 0.00 0.00 0.00 0.00 36.38 34.66 3gxd s VAL 121 CO 0.21 0.45 1.11 -2.84 0.00 0.00 0.00 175.10 174.03 3gxd s PRO 122 N 1.34 4.61 -0.82 2.72 0.02 -1.26 -1.59 135.00 140.02 3gxd s PRO 122 Ca 0.01 1.79 -0.20 0.00 0.02 0.00 0.00 61.00 62.62 3gxd s PRO 122 Cb -0.13 -3.22 0.10 0.00 0.02 0.00 0.00 34.50 31.27 3gxd s PRO 122 CO -0.08 0.15 1.07 -1.64 -0.33 0.00 0.00 177.00 176.17 3gxd s MET 123 N -1.05 3.39 2.00 5.54 -1.94 0.28 -4.86 119.30 122.66 3gxd s MET 123 Ca 0.46 -1.36 0.00 0.00 -1.71 0.00 0.00 55.69 53.08 3gxd s MET 123 Cb -0.31 -4.66 0.00 0.00 2.01 0.00 0.00 34.83 31.87 3gxd s MET 123 CO 0.39 -1.81 0.00 0.00 -0.01 0.00 0.00 175.02 173.60 3gxd n ALA 124 N 7.10 0.00 -1.79 3.03 0.00 -1.26 -4.40 120.51 123.19 3gxd n ALA 124 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.21 3gxd n ALA 124 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 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 6.70 0.00 0.00 1.04 -1.08 -4.95 113.70 111.40 3gxd s SER 125 Ca 0.00 1.97 0.00 0.00 0.48 0.00 0.00 55.95 58.40 3gxd s SER 125 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 3gxd s SER 125 CO 0.00 -0.53 0.00 0.00 0.98 0.00 0.00 173.24 173.69 3gxd h ASP 127 N 0.00 0.00 -0.92 0.00 2.03 -1.97 -3.19 116.42 112.38 3gxd h ASP 127 Ca 0.00 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.81 3gxd h ASP 127 Cb 0.00 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 38.31 3gxd h ASP 127 CO 0.00 0.00 0.55 0.49 -1.03 0.00 0.00 179.24 179.25 3gxd n PHE 128 N -3.04 2.00 -4.50 4.15 3.01 -1.26 -2.97 117.46 114.84 3gxd n PHE 128 Ca 0.04 -2.18 -0.25 0.00 1.01 0.00 0.00 57.45 56.06 3gxd n PHE 128 Cb 0.49 -1.21 -0.10 0.00 -0.01 0.00 0.00 39.48 38.65 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 -0.24 3.74 -0.19 4.37 0.01 -1.21 -0.28 113.70 119.91 3gxd s SER 129 Ca 0.48 -1.13 0.16 0.00 1.31 0.00 0.00 55.95 56.78 3gxd s SER 129 Cb 0.36 -0.36 0.58 0.00 0.21 0.00 0.00 66.02 66.81 3gxd s SER 129 CO -0.12 -0.13 1.47 2.30 0.41 0.00 0.00 173.24 177.17 3gxd n ILE 130 N -0.76 2.35 -3.64 1.44 -5.35 -1.26 -1.05 119.36 111.09 3gxd n ILE 130 Ca -0.05 -1.80 -0.02 0.00 -0.27 0.00 0.00 62.75 60.61 3gxd n ILE 130 Cb 0.62 -0.25 -0.05 0.00 -1.74 0.00 0.00 39.64 38.22 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 -2.79 0.08 0.01 6.28 1.70 -1.26 -4.91 118.95 118.05 3gxd s ARG 131 Ca 0.44 0.04 -0.12 0.00 -0.47 0.00 0.00 55.73 55.62 3gxd s ARG 131 Cb 0.35 0.04 -0.05 0.00 -0.57 0.00 0.00 34.95 34.71 3gxd s ARG 131 CO 0.10 -0.02 0.36 0.95 -1.08 0.00 0.00 175.30 175.61 3gxd s THR 132 N -0.68 5.13 -0.29 4.99 -4.23 -1.26 -4.85 115.64 114.45 3gxd s THR 132 Ca 0.08 0.60 -0.22 0.00 -1.18 0.00 0.00 61.69 60.96 3gxd s THR 132 Cb -0.02 -3.64 0.18 0.00 1.34 0.00 0.00 72.50 70.36 3gxd s THR 132 CO -0.10 0.49 1.28 -0.72 -0.54 0.00 0.00 174.62 175.03 3gxd s TYR 133 N -1.18 -0.19 0.55 3.99 -0.85 -1.26 -5.05 117.35 113.36 3gxd s TYR 133 Ca 0.25 0.43 0.06 0.00 -0.52 0.00 0.00 57.07 57.30 3gxd s TYR 133 Cb -0.15 0.35 0.05 0.00 0.38 0.00 0.00 41.96 42.59 3gxd s TYR 133 CO 0.14 -0.09 0.47 0.95 -1.52 0.00 0.00 175.55 175.50 3gxd s THR 134 N 0.41 1.77 -1.68 -3.49 -4.23 -1.26 -2.64 115.64 104.52 3gxd s THR 134 Ca 0.02 -1.40 0.31 0.00 -1.18 0.00 0.00 61.69 59.44 3gxd s THR 134 Cb -0.04 -2.17 0.64 0.00 1.34 0.00 0.00 72.50 72.27 3gxd s THR 134 CO -0.13 0.00 2.08 -1.22 -0.54 0.00 0.00 174.62 174.81 3gxd n TYR 135 N -1.85 0.00 -3.10 3.99 0.53 -1.26 -4.26 117.16 111.21 3gxd n TYR 135 Ca 0.02 0.00 -0.19 0.00 -1.02 0.00 0.00 57.90 56.70 3gxd n TYR 135 Cb 0.64 -0.17 -0.04 0.00 -1.03 0.00 0.00 39.34 38.74 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 -1.10 1.30 0.81 -0.72 0.00 -1.26 -1.07 120.51 118.47 3gxd n ALA 136 Ca 0.18 -2.69 0.12 0.00 0.00 0.00 0.00 53.44 51.05 3gxd n ALA 136 Cb 0.21 -0.97 0.28 0.00 0.00 0.00 0.00 19.45 18.96 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 1.90 0.53 -4.53 0.00 8.00 -1.26 -4.68 116.55 116.50 3gxd n ASP 137 Ca 0.20 0.05 -0.43 0.00 0.71 0.00 0.00 54.79 55.32 3gxd n ASP 137 Cb 0.54 0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.64 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 -1.79 0.14 -1.55 -3.53 -1.04 -1.26 -4.91 114.28 100.34 3gxd n THR 138 Ca 0.05 -0.47 -0.41 0.00 -2.04 0.00 0.00 64.05 61.18 3gxd n THR 138 Cb 0.38 -2.20 0.02 0.00 -1.82 0.00 0.00 70.33 66.71 3gxd n THR 138 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3gxd n PRO 139 N 8.66 0.98 -2.79 -2.82 -0.02 -1.26 -2.23 135.00 135.52 3gxd n PRO 139 Ca 0.38 0.36 -0.17 0.00 -2.02 0.00 0.00 63.50 62.05 3gxd n PRO 139 Cb 0.38 -1.84 -0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3gxd n PRO 139 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3gxd n ASP 140 N 0.66 -4.12 -3.32 2.55 8.00 -1.26 -4.89 116.55 114.17 3gxd n ASP 140 Ca 0.11 -0.04 -0.39 0.00 0.71 0.00 0.00 54.79 55.18 3gxd n ASP 140 Cb 0.40 -3.45 -0.03 0.00 -0.02 0.00 0.00 41.12 38.03 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 -2.03 8.49 -0.28 -2.24 2.03 -0.95 -4.70 116.55 116.87 3gxd n ASP 141 Ca -0.10 -2.72 0.16 0.00 0.52 0.00 0.00 54.79 52.64 3gxd n ASP 141 Cb 0.59 -1.50 0.43 0.00 -0.72 0.00 0.00 41.12 39.92 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 4.83 0.75 0.00 -0.67 -1.00 -1.90 0.40 116.94 119.35 3gxd h PHE 142 Ca 0.81 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.62 3gxd h PHE 142 Cb 0.32 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 39.65 3gxd h PHE 142 CO 1.81 0.21 0.00 1.04 -1.61 0.00 0.00 178.31 179.76 3gxd n GLN 143 N -4.59 0.18 -2.50 1.51 1.13 -1.26 -4.83 117.38 107.02 3gxd n GLN 143 Ca 0.20 0.37 -0.19 0.00 -1.94 0.00 0.00 57.00 55.44 3gxd n GLN 143 Cb 0.60 -1.81 0.00 0.00 0.11 0.00 0.00 30.24 29.14 3gxd n GLN 143 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3gxd n LEU 144 N -2.14 -2.03 -0.07 1.08 4.77 0.14 -4.94 117.00 113.81 3gxd n LEU 144 Ca 0.03 -0.08 0.02 0.00 -0.03 0.00 0.00 56.01 55.95 3gxd n LEU 144 Cb 0.25 -2.69 0.33 0.00 -2.33 0.00 0.00 43.42 38.98 3gxd n LEU 144 CO 0.21 -0.10 1.12 -0.74 -1.33 0.00 0.00 177.39 176.55 3gxd h HIS 145 N -0.30 0.66 -0.33 -1.77 2.76 -1.90 -2.77 115.15 111.49 3gxd h HIS 145 Ca -0.45 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 3gxd h HIS 145 Cb 1.33 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 30.07 3gxd h HIS 145 CO 0.49 0.47 0.00 0.09 -1.30 0.00 0.00 177.93 177.68 3gxd n ASN 146 N -4.40 2.84 -4.69 3.26 4.13 -1.26 -4.91 115.26 110.22 3gxd n ASN 146 Ca 0.04 -2.27 -0.42 0.00 1.68 0.00 0.00 54.58 53.61 3gxd n ASN 146 Cb 0.10 -0.45 -0.03 0.00 -1.54 0.00 0.00 39.78 37.87 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 -1.73 2.85 0.05 3.10 5.36 -1.05 -4.69 117.98 121.87 3gxd s PHE 147 Ca 0.27 0.78 -0.24 0.00 -0.96 0.00 0.00 56.93 56.78 3gxd s PHE 147 Cb 0.18 -3.69 0.06 0.00 -0.34 0.00 0.00 43.02 39.22 3gxd s PHE 147 CO 0.12 -2.58 0.57 -1.54 -1.46 0.00 0.00 175.22 170.33 3gxd s SER 148 N 1.85 -0.51 0.08 6.13 1.04 -0.23 -5.01 113.70 117.04 3gxd s SER 148 Ca 0.65 0.26 -0.31 0.00 0.48 0.00 0.00 55.95 57.04 3gxd s SER 148 Cb -0.33 0.52 -0.06 0.00 0.10 0.00 0.00 66.02 66.25 3gxd s SER 148 CO 0.28 -0.74 1.21 -0.76 0.98 0.00 0.00 173.24 174.20 3gxd s LEU 149 N -1.94 4.38 0.00 2.42 1.43 -1.26 -4.62 118.68 119.08 3gxd s LEU 149 Ca -0.05 2.06 -0.13 0.00 -1.03 0.00 0.00 54.13 54.97 3gxd s LEU 149 Cb -0.01 -3.58 0.21 0.00 0.03 0.00 0.00 46.19 42.84 3gxd s LEU 149 CO -0.01 -0.46 1.25 -0.81 0.23 0.00 0.00 176.35 176.55 3gxd n PRO 150 N 3.75 -1.06 -0.21 1.29 -0.04 -1.26 -4.81 135.00 132.66 3gxd n PRO 150 Ca 0.08 -2.17 -0.02 0.00 -0.04 0.00 0.00 63.50 61.36 3gxd n PRO 150 Cb 0.46 -1.22 0.18 0.00 -0.04 0.00 0.00 33.50 32.88 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 0.99 -1.16 0.54 5.08 -1.97 -1.32 114.58 116.74 3gxd h GLU 151 Ca -0.41 -0.13 0.33 0.00 -1.00 0.00 0.00 59.36 58.15 3gxd h GLU 151 Cb 1.18 -0.19 -0.10 0.00 0.50 0.00 0.00 28.75 30.15 3gxd h GLU 151 CO 0.31 0.76 0.76 0.93 -1.00 0.00 0.00 179.01 180.77 3gxd h GLU 152 N 0.99 0.24 0.00 2.33 3.07 -1.95 1.32 114.58 120.59 3gxd h GLU 152 Ca 0.24 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 3gxd h GLU 152 Cb 0.10 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 3gxd h GLU 152 CO -0.03 0.16 -0.09 -0.44 -1.40 0.00 0.00 179.01 177.21 3gxd h ASP 153 N 0.25 0.00 -0.76 1.42 3.32 -1.63 0.13 116.42 119.15 3gxd h ASP 153 Ca 0.67 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.75 3gxd h ASP 153 Cb 1.96 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.46 3gxd h ASP 153 CO -0.30 0.45 0.48 0.71 -1.72 0.00 0.00 179.24 178.86 3gxd h THR 154 N -0.80 1.11 0.00 0.35 1.35 -0.58 0.12 112.91 114.45 3gxd h THR 154 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3gxd h THR 154 Cb 0.09 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.60 3gxd h THR 154 CO 0.00 0.17 -1.23 0.29 -0.25 0.00 0.00 175.52 174.50 3gxd n LYS 155 N -4.62 0.91 0.00 4.72 4.01 0.45 -4.33 118.16 119.30 3gxd n LYS 155 Ca 0.09 -0.07 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 3gxd n LYS 155 Cb 0.09 -1.37 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 3gxd n LYS 155 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3gxd n LEU 156 N -1.70 0.00 -0.16 -0.35 4.77 -1.13 -4.75 117.00 113.67 3gxd n LEU 156 Ca 0.01 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 3gxd n LEU 156 Cb 0.36 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 3gxd n LEU 156 CO 0.37 -0.06 0.49 0.11 -1.33 0.00 0.00 177.39 176.97 3gxd h LYS 157 N 0.00 -0.14 0.42 3.23 1.57 -0.75 -3.18 116.57 117.72 3gxd h LYS 157 Ca 0.00 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3gxd h LYS 157 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3gxd h LYS 157 CO 0.00 -0.10 -0.20 0.82 -0.57 0.00 0.00 179.45 179.40 3gxd h ILE 158 N -0.15 0.59 -0.84 1.86 2.04 -0.99 -1.96 117.51 118.05 3gxd h ILE 158 Ca 0.07 -0.14 0.20 0.00 1.00 0.00 0.00 64.86 65.99 3gxd h ILE 158 Cb 0.33 0.66 -0.12 0.00 -0.74 0.00 0.00 36.82 36.95 3gxd h ILE 158 CO -0.47 0.03 0.30 -0.65 0.00 0.00 0.00 178.15 177.36 3gxd h PRO 159 N -0.65 0.33 -0.57 2.37 0.11 -1.75 -1.08 132.00 130.75 3gxd h PRO 159 Ca -0.06 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.94 3gxd h PRO 159 Cb 0.48 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 3gxd h PRO 159 CO 0.10 0.22 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.02 3gxd h LEU 160 N 0.34 0.99 -0.49 2.35 3.38 -1.49 -1.93 115.31 118.46 3gxd h LEU 160 Ca 0.51 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 58.20 3gxd h LEU 160 Cb 0.94 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3gxd h LEU 160 CO -0.54 1.06 0.27 0.40 0.09 0.00 0.00 178.44 179.72 3gxd h ILE 161 N 0.90 1.01 0.19 1.22 2.04 -0.45 0.40 117.51 122.82 3gxd h ILE 161 Ca 0.16 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.84 3gxd h ILE 161 Cb 0.56 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3gxd h ILE 161 CO 0.03 0.10 -0.20 0.45 0.00 0.00 0.00 178.15 178.52 3gxd h HIS 162 N 0.54 -0.54 -0.99 1.37 3.86 -1.14 -1.34 115.15 116.90 3gxd h HIS 162 Ca 0.20 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.53 3gxd h HIS 162 Cb 0.07 0.21 -0.08 0.00 1.06 0.00 0.00 27.41 28.67 3gxd h HIS 162 CO -0.08 -0.30 0.62 0.00 0.86 0.00 0.00 177.93 179.02 3gxd h ARG 163 N -0.43 0.97 -0.14 2.45 3.08 -0.71 0.18 114.38 119.77 3gxd h ARG 163 Ca 0.00 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3gxd h ARG 163 Cb 0.41 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 3gxd h ARG 163 CO -0.06 0.64 -0.12 0.00 -1.07 0.00 0.00 179.97 179.36 3gxd h ALA 164 N 1.53 0.21 -0.82 0.04 0.00 0.31 -2.64 119.26 117.89 3gxd h ALA 164 Ca 0.49 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 55.16 3gxd h ALA 164 Cb 0.45 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 3gxd h ALA 164 CO -0.26 0.07 0.49 -0.07 0.00 0.00 0.00 179.25 179.48 3gxd h LEU 165 N -0.03 0.73 -0.89 0.00 3.38 -0.83 -2.54 115.31 115.14 3gxd h LEU 165 Ca 0.03 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3gxd h LEU 165 Cb 0.64 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3gxd h LEU 165 CO 0.03 0.45 0.57 -0.61 0.09 0.00 0.00 178.44 178.98 3gxd h GLN 166 N 0.86 1.08 0.00 1.13 5.75 -0.48 -2.68 115.11 120.77 3gxd h GLN 166 Ca 0.37 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.81 3gxd h GLN 166 Cb 0.24 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3gxd h GLN 166 CO -0.20 0.71 0.00 -0.07 -2.65 0.00 0.00 178.83 176.62 3gxd h LEU 167 N 1.11 0.00 -9.51 -2.39 3.38 -1.11 -3.44 115.31 103.34 3gxd h LEU 167 Ca 0.35 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.72 3gxd h LEU 167 Cb 0.01 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 3gxd h LEU 167 CO -0.12 0.00 -0.23 0.00 0.09 0.00 0.00 178.44 178.18 3gxd s ALA 168 N -3.53 3.63 -0.04 1.53 0.00 -0.99 -3.98 121.76 118.39 3gxd s ALA 168 Ca 0.03 -0.29 -0.15 0.00 0.00 0.00 0.00 51.96 51.55 3gxd s ALA 168 Cb 0.09 -2.42 -0.08 0.00 0.00 0.00 0.00 23.12 20.71 3gxd s ALA 168 CO 0.51 0.30 0.60 1.96 0.00 0.00 0.00 175.76 179.12 3gxd h GLN 169 N 5.61 -0.50 -6.47 0.00 1.08 -1.85 -3.46 115.11 109.50 3gxd h GLN 169 Ca -0.47 0.03 -0.61 0.00 -1.45 0.00 0.00 58.65 56.15 3gxd h GLN 169 Cb 1.20 0.11 0.09 0.00 -0.05 0.00 0.00 27.48 28.84 3gxd h GLN 169 CO 0.68 -0.34 0.29 0.54 -0.95 0.00 0.00 178.83 179.05 3gxd n ARG 170 N -5.11 1.48 -1.69 1.46 1.74 -1.26 -4.91 116.66 108.37 3gxd n ARG 170 Ca -0.07 0.52 -0.45 0.00 -0.77 0.00 0.00 57.85 57.09 3gxd n ARG 170 Cb 0.21 -2.00 -0.03 0.00 -1.02 0.00 0.00 32.46 29.61 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 1.28 2.27 -3.63 5.56 -0.02 -1.26 -4.98 135.00 134.23 3gxd n PRO 171 Ca 0.11 0.81 -0.37 0.00 -2.02 0.00 0.00 63.50 62.04 3gxd n PRO 171 Cb 0.30 -2.56 -0.06 0.00 -0.02 0.00 0.00 33.50 31.15 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 0.54 5.26 -0.26 -1.45 1.01 -1.26 -4.83 120.40 119.40 3gxd s VAL 172 Ca 0.73 0.56 -0.08 0.00 0.00 0.00 0.00 61.98 63.19 3gxd s VAL 172 Cb -0.62 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 3gxd s VAL 172 CO 0.42 0.53 0.10 -0.44 0.00 0.00 0.00 175.10 175.71 3gxd s SER 173 N -0.56 5.36 0.16 3.32 0.01 0.35 -4.98 113.70 117.35 3gxd s SER 173 Ca 0.19 -0.20 -0.27 0.00 1.31 0.00 0.00 55.95 56.98 3gxd s SER 173 Cb -0.14 -1.97 -0.08 0.00 0.21 0.00 0.00 66.02 64.04 3gxd s SER 173 CO 0.07 -0.05 0.84 -0.76 0.41 0.00 0.00 173.24 173.75 3gxd s LEU 174 N 1.64 4.57 -0.18 2.44 1.43 -1.26 -1.95 118.68 125.38 3gxd s LEU 174 Ca 0.06 1.71 -0.00 0.00 -1.03 0.00 0.00 54.13 54.87 3gxd s LEU 174 Cb -0.15 -3.41 0.05 0.00 0.03 0.00 0.00 46.19 42.71 3gxd s LEU 174 CO 0.05 0.13 -0.05 -0.22 0.23 0.00 0.00 176.35 176.49 3gxd s LEU 175 N -0.84 1.83 0.16 1.79 2.96 -0.06 -0.92 118.68 123.60 3gxd s LEU 175 Ca 0.39 -0.79 -0.17 0.00 -0.22 0.00 0.00 54.13 53.35 3gxd s LEU 175 Cb -0.23 -0.97 -0.07 0.00 0.50 0.00 0.00 46.19 45.41 3gxd s LEU 175 CO 0.28 -0.20 0.61 0.00 -1.32 0.00 0.00 176.35 175.72 3gxd s ALA 176 N 1.58 3.52 -0.06 5.97 0.00 -0.60 0.78 121.76 132.95 3gxd s ALA 176 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.92 3gxd s ALA 176 Cb -0.16 -2.64 0.04 0.00 0.00 0.00 0.00 23.12 20.36 3gxd s ALA 176 CO -0.08 0.41 0.13 -1.12 0.00 0.00 0.00 175.76 175.10 3gxd s SER 177 N -1.62 0.28 0.35 0.00 0.01 -0.62 -0.97 113.70 111.14 3gxd s SER 177 Ca 0.38 0.26 -0.15 0.00 1.31 0.00 0.00 55.95 57.75 3gxd s SER 177 Cb -0.16 0.16 -0.09 0.00 0.21 0.00 0.00 66.02 66.14 3gxd s SER 177 CO 0.20 -0.19 0.78 -2.16 0.41 0.00 0.00 173.24 172.28 3gxd s PRO 178 N 1.60 4.00 -0.22 12.44 0.04 -1.26 -0.55 135.00 151.05 3gxd s PRO 178 Ca -0.04 0.71 0.03 0.00 0.04 0.00 0.00 61.00 61.74 3gxd s PRO 178 Cb -0.12 -2.38 -0.15 0.00 0.04 0.00 0.00 34.50 31.89 3gxd s PRO 178 CO -0.05 0.09 -0.17 0.91 0.04 0.00 0.00 177.00 177.81 3gxd n TRP 179 N -0.57 0.00 -3.91 0.56 8.01 -1.26 -0.42 117.44 119.85 3gxd n TRP 179 Ca 0.04 0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 56.13 3gxd n TRP 179 Cb 0.53 -0.86 -0.10 0.00 -2.01 0.00 0.00 31.31 28.88 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 -2.45 0.11 0.57 -0.99 -1.32 -1.26 -2.71 115.64 107.59 3gxd s THR 180 Ca -0.28 -0.94 -0.03 0.00 -1.21 0.00 0.00 61.69 59.23 3gxd s THR 180 Cb 0.08 -0.70 0.02 0.00 -1.51 0.00 0.00 72.50 70.38 3gxd s THR 180 CO 0.54 -0.52 0.84 -0.94 -2.21 0.00 0.00 174.62 172.33 3gxd s SER 181 N -1.84 5.49 0.38 8.08 1.04 -1.26 -4.99 113.70 120.60 3gxd s SER 181 Ca -0.09 0.46 -0.19 0.00 0.48 0.00 0.00 55.95 56.61 3gxd s SER 181 Cb -0.04 -1.45 -0.14 0.00 0.10 0.00 0.00 66.02 64.49 3gxd s SER 181 CO -0.02 -1.06 0.05 -2.65 0.98 0.00 0.00 173.24 170.53 3gxd n PRO 182 N -2.47 0.00 0.20 4.02 -0.02 -1.26 -4.88 135.00 130.60 3gxd n PRO 182 Ca 0.05 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.62 3gxd n PRO 182 Cb 0.58 -0.91 0.23 0.00 -0.02 0.00 0.00 33.50 33.38 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 0.24 0.37 0.00 3.45 1.35 -1.89 -2.73 112.91 113.70 3gxd h THR 183 Ca -0.34 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 3gxd h THR 183 Cb 1.32 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 3gxd h THR 183 CO 0.42 0.19 0.00 -2.67 -0.25 0.00 0.00 175.52 173.21 3gxd n TRP 184 N -3.19 0.00 0.86 4.73 4.27 -1.26 -1.57 117.44 121.28 3gxd n TRP 184 Ca 0.02 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.75 3gxd n TRP 184 Cb 0.55 -0.15 0.22 0.00 -1.36 0.00 0.00 31.31 30.57 3gxd n TRP 184 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3gxd n LEU 185 N -1.15 2.83 -4.39 5.67 4.77 -1.03 -4.86 117.00 118.84 3gxd n LEU 185 Ca 0.13 -1.07 -0.33 0.00 -0.03 0.00 0.00 56.01 54.71 3gxd n LEU 185 Cb 0.12 -0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 40.98 3gxd n LEU 185 CO 0.14 0.53 -0.46 -0.54 -1.33 0.00 0.00 177.39 175.74 3gxd s LYS 186 N -1.81 3.10 0.34 3.23 1.02 -0.61 -0.57 119.74 124.44 3gxd s LYS 186 Ca 0.33 -0.71 0.13 0.00 0.02 0.00 0.00 55.97 55.75 3gxd s LYS 186 Cb 0.21 -2.53 1.08 0.00 -0.52 0.00 0.00 37.83 36.07 3gxd s LYS 186 CO 0.31 0.33 1.62 1.79 -0.92 0.00 0.00 175.35 178.47 3gxd h THR 187 N 5.13 0.16 -0.00 2.17 1.35 -1.23 -0.69 112.91 119.78 3gxd h THR 187 Ca -0.31 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3gxd h THR 187 Cb 1.20 -0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3gxd h THR 187 CO 0.53 0.03 -0.33 -0.46 -0.25 0.00 0.00 175.52 175.04 3gxd n ASN 188 N -5.21 0.62 -3.27 5.36 6.94 -1.26 -4.99 115.26 113.45 3gxd n ASN 188 Ca 0.31 -0.43 -0.23 0.00 -0.02 0.00 0.00 54.58 54.21 3gxd n ASN 188 Cb 1.02 0.11 0.04 0.00 -2.36 0.00 0.00 39.78 38.59 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 1.42 -0.53 3.14 4.83 0.00 -0.27 -4.99 105.19 108.80 3gxd n GLY 189 Ca 0.09 0.17 -0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.21 0.07 0.10 4.61 0.00 -1.26 -4.90 121.76 117.17 3gxd s ALA 190 Ca 0.42 -0.81 0.29 0.00 0.00 0.00 0.00 51.96 51.85 3gxd s ALA 190 Cb -0.19 0.36 1.13 0.00 0.00 0.00 0.00 23.12 24.42 3gxd s ALA 190 CO 0.51 -0.42 1.90 -0.39 0.00 0.00 0.00 175.76 177.37 3gxd h VAL 191 N 3.09 0.25 -2.43 0.00 -1.51 -1.92 -3.46 116.25 110.28 3gxd h VAL 191 Ca -0.34 -0.80 0.00 0.00 -1.23 0.00 0.00 66.70 64.34 3gxd h VAL 191 Cb 1.17 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.97 3gxd h VAL 191 CO 0.58 0.10 0.00 -0.46 -1.23 0.00 0.00 177.57 176.56 3gxd n ASN 192 N -3.23 1.14 -0.20 4.19 6.94 -1.26 -2.24 115.26 120.60 3gxd n ASN 192 Ca 0.00 -0.28 0.02 0.00 -0.02 0.00 0.00 54.58 54.31 3gxd n ASN 192 Cb 0.37 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.78 3gxd n ASN 192 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gxd n GLY 193 N 2.86 -2.18 3.77 4.83 0.00 -0.11 -4.82 105.19 109.54 3gxd n GLY 193 Ca 0.00 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.02 4.36 0.00 1.61 2.20 -1.14 -4.63 119.74 121.12 3gxd s LYS 194 Ca 0.00 1.99 0.00 0.00 -0.36 0.00 0.00 55.97 57.60 3gxd s LYS 194 Cb 0.00 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 3gxd s LYS 194 CO 0.00 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.30 3gxd n GLY 195 N 0.87 4.24 0.00 5.54 0.00 -0.65 -4.50 105.19 110.69 3gxd n GLY 195 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 1.05 -4.70 1.61 3.41 -1.26 -1.63 113.62 112.09 3gxd n SER 196 Ca 0.00 -0.78 -0.42 0.00 -0.26 0.00 0.00 58.87 57.40 3gxd n SER 196 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 4.36 0.62 1.04 1.43 -1.26 -0.77 118.68 124.10 3gxd s LEU 197 Ca 0.00 2.39 -0.18 0.00 -1.03 0.00 0.00 54.13 55.31 3gxd s LEU 197 Cb 0.00 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 3gxd s LEU 197 CO 0.00 -0.78 0.80 0.29 0.23 0.00 0.00 176.35 176.89 3gxd n LYS 198 N 4.87 0.67 0.00 1.70 5.02 0.26 -4.72 118.16 125.96 3gxd n LYS 198 Ca 0.14 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 3gxd n LYS 198 Cb 0.41 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 3gxd n LYS 198 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gxd n GLY 199 N 1.44 1.63 2.98 0.72 0.00 -1.26 -4.41 105.19 106.30 3gxd n GLY 199 Ca 0.13 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 0.20 0.29 1.61 2.00 -1.26 -5.09 119.66 117.42 3gxd s GLN 200 Ca 0.00 -0.14 -0.30 0.00 -2.00 0.00 0.00 55.36 52.92 3gxd s GLN 200 Cb 0.00 0.08 -0.13 0.00 0.80 0.00 0.00 33.01 33.77 3gxd s GLN 200 CO 0.00 -0.04 1.39 -2.30 -0.50 0.00 0.00 175.29 173.84 3gxd n PRO 201 N 2.45 2.18 0.00 1.67 -0.02 -1.26 -1.89 135.00 138.13 3gxd n PRO 201 Ca -0.17 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3gxd n PRO 201 Cb 0.58 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 1.53 2.25 0.95 -1.23 0.00 -1.26 -5.05 105.19 102.38 3gxd n GLY 202 Ca 0.08 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 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 0.18 -0.82 -0.11 1.61 5.68 -0.79 -4.70 116.55 117.59 3gxd n ASP 203 Ca 0.00 -0.83 -0.13 0.00 -0.50 0.00 0.00 54.79 53.32 3gxd n ASP 203 Cb 0.00 -0.26 -0.03 0.00 -1.14 0.00 0.00 41.12 39.68 3gxd n ASP 203 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3gxd h ILE 204 N -1.60 1.29 0.00 2.12 2.10 -1.95 -1.00 117.51 118.47 3gxd h ILE 204 Ca -0.11 -1.50 0.00 0.00 1.08 0.00 0.00 64.86 64.33 3gxd h ILE 204 Cb 0.32 1.48 0.00 0.00 -1.09 0.00 0.00 36.82 37.53 3gxd h ILE 204 CO 0.07 0.49 0.00 -1.22 -1.08 0.00 0.00 178.15 176.42 3gxd n TYR 205 N -4.17 0.00 -0.34 2.19 4.02 -1.26 -0.91 117.16 116.70 3gxd n TYR 205 Ca -0.03 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.96 3gxd n TYR 205 Cb 0.50 -0.46 0.21 0.00 -0.02 0.00 0.00 39.34 39.57 3gxd n TYR 205 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3gxd n HIS 206 N -2.26 0.47 0.06 -0.72 8.25 -1.24 -1.61 115.22 118.17 3gxd n HIS 206 Ca 0.00 1.16 -0.01 0.00 -0.26 0.00 0.00 57.72 58.61 3gxd n HIS 206 Cb 0.00 -1.14 0.26 0.00 1.12 0.00 0.00 29.99 30.23 3gxd n HIS 206 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3gxd h GLN 207 N 0.00 0.34 -0.12 -0.41 1.08 -0.88 -2.45 115.11 112.67 3gxd h GLN 207 Ca 0.52 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.57 3gxd h GLN 207 Cb 0.94 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.34 3gxd h GLN 207 CO -0.95 0.59 -0.01 1.15 -0.95 0.00 0.00 178.83 178.65 3gxd h THR 208 N 0.31 1.27 -0.98 -0.54 2.02 -0.21 -1.19 112.91 113.59 3gxd h THR 208 Ca 0.05 -0.90 0.06 0.00 0.77 0.00 0.00 66.41 66.39 3gxd h THR 208 Cb 0.63 1.63 -0.06 0.00 -1.74 0.00 0.00 68.15 68.61 3gxd h THR 208 CO 0.05 0.26 0.63 -0.25 0.37 0.00 0.00 175.52 176.58 3gxd h TRP 209 N -0.08 1.18 -0.21 3.16 -0.00 -1.20 0.22 115.95 119.02 3gxd h TRP 209 Ca 0.03 0.03 -0.09 0.00 -0.00 0.00 0.00 58.89 58.87 3gxd h TRP 209 Cb 0.41 -0.39 -0.00 0.00 -0.00 0.00 0.00 29.16 29.18 3gxd h TRP 209 CO 0.04 0.62 -0.20 0.00 -0.00 0.00 0.00 178.44 178.91 3gxd h ALA 210 N 1.44 0.31 -0.55 2.65 0.00 -1.44 -2.51 119.26 119.15 3gxd h ALA 210 Ca 0.42 -0.36 0.12 0.00 0.00 0.00 0.00 54.91 55.09 3gxd h ALA 210 Cb 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3gxd h ALA 210 CO -0.16 0.25 0.38 0.00 0.00 0.00 0.00 179.25 179.71 3gxd h ARG 211 N 0.19 0.23 -0.82 0.00 3.08 -0.17 -0.09 114.38 116.81 3gxd h ARG 211 Ca 0.03 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.16 3gxd h ARG 211 Cb 0.75 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.69 3gxd h ARG 211 CO 0.05 0.15 0.53 -0.92 -1.07 0.00 0.00 179.97 178.72 3gxd h TYR 212 N 0.24 0.86 0.20 3.04 3.20 -0.14 -0.26 116.97 124.11 3gxd h TYR 212 Ca 0.26 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 3gxd h TYR 212 Cb 0.70 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.69 3gxd h TYR 212 CO -0.00 0.42 -0.10 0.74 -1.64 0.00 0.00 178.16 177.58 3gxd h PHE 213 N 0.81 -0.25 -0.81 -3.82 -1.00 -0.92 -0.87 116.94 110.08 3gxd h PHE 213 Ca 0.37 -0.01 0.07 0.00 2.81 0.00 0.00 57.97 61.21 3gxd h PHE 213 Cb 0.37 0.08 -0.05 0.00 3.61 0.00 0.00 35.95 39.96 3gxd h PHE 213 CO -0.00 -0.07 0.53 0.28 -1.61 0.00 0.00 178.31 177.44 3gxd h VAL 214 N -0.38 1.03 0.37 -0.55 2.07 -1.09 -0.91 116.25 116.79 3gxd h VAL 214 Ca -0.03 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3gxd h VAL 214 Cb 0.29 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3gxd h VAL 214 CO 0.05 0.16 -0.18 0.11 0.02 0.00 0.00 177.57 177.72 3gxd h LYS 215 N 0.87 -0.48 -0.53 1.57 1.79 -1.01 1.14 116.57 119.92 3gxd h LYS 215 Ca 0.35 0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.91 3gxd h LYS 215 Cb 0.26 0.11 -0.08 0.00 -1.58 0.00 0.00 32.23 30.93 3gxd h LYS 215 CO -0.13 -0.30 -0.50 0.35 -1.08 0.00 0.00 179.45 177.80 3gxd h PHE 216 N -0.54 -1.55 -0.81 -1.35 3.57 -0.43 0.14 116.94 115.96 3gxd h PHE 216 Ca -0.05 0.09 0.08 0.00 3.53 0.00 0.00 57.97 61.62 3gxd h PHE 216 Cb 0.41 0.75 -0.05 0.00 2.79 0.00 0.00 35.95 39.84 3gxd h PHE 216 CO -0.04 -0.39 0.53 -0.07 -2.23 0.00 0.00 178.31 176.11 3gxd h LEU 217 N -0.23 0.72 0.03 0.59 3.38 -0.77 -0.37 115.31 118.66 3gxd h LEU 217 Ca 0.09 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3gxd h LEU 217 Cb 0.47 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3gxd h LEU 217 CO -0.62 0.45 -0.01 0.44 0.09 0.00 0.00 178.44 178.78 3gxd h ASP 218 N 0.81 -0.03 -0.02 -0.43 3.32 0.31 -1.28 116.42 119.09 3gxd h ASP 218 Ca 0.37 -0.32 0.03 0.00 0.02 0.00 0.00 57.03 57.12 3gxd h ASP 218 Cb 0.36 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 3gxd h ASP 218 CO -0.14 0.31 -0.20 0.00 -1.72 0.00 0.00 179.24 177.49 3gxd h ALA 219 N 0.58 -0.24 -0.81 3.45 0.00 -0.49 -1.33 119.26 120.42 3gxd h ALA 219 Ca -0.00 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.03 3gxd h ALA 219 Cb 0.35 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 3gxd h ALA 219 CO 0.01 -0.69 0.43 1.88 0.00 0.00 0.00 179.25 180.87 3gxd h TYR 220 N -0.32 0.77 -1.00 0.00 -1.99 -1.03 -1.64 116.97 111.76 3gxd h TYR 220 Ca 0.07 0.03 0.07 0.00 2.00 0.00 0.00 58.73 60.90 3gxd h TYR 220 Cb 0.40 -0.22 -0.07 0.00 2.00 0.00 0.00 36.73 38.84 3gxd h TYR 220 CO -0.26 0.25 0.64 0.00 -0.00 0.00 0.00 178.16 178.79 3gxd h ALA 221 N 1.49 1.40 -0.01 3.88 0.00 -0.57 -1.04 119.26 124.42 3gxd h ALA 221 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3gxd h ALA 221 Cb 0.49 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3gxd h ALA 221 CO -0.30 0.40 0.21 0.93 0.00 0.00 0.00 179.25 180.49 3gxd h GLU 222 N 1.14 0.00 -0.51 0.00 5.08 -0.25 0.14 114.58 120.18 3gxd h GLU 222 Ca 0.44 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.66 3gxd h GLU 222 Cb 0.22 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.39 3gxd h GLU 222 CO -0.19 0.00 0.11 0.72 -1.00 0.00 0.00 179.01 178.65 3gxd n HIS 223 N -3.00 1.69 -4.14 4.33 8.25 -0.43 -4.96 115.22 116.97 3gxd n HIS 223 Ca -0.02 -1.18 -0.34 0.00 -0.26 0.00 0.00 57.72 55.92 3gxd n HIS 223 Cb 0.27 -0.53 -0.02 0.00 1.12 0.00 0.00 29.99 30.84 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 -0.47 -3.66 -4.85 -0.41 4.76 0.48 -5.00 118.16 109.02 3gxd n LYS 224 Ca 0.33 0.42 -0.33 0.00 -2.87 0.00 0.00 58.31 55.86 3gxd n LYS 224 Cb 1.16 -5.12 -0.15 0.00 -1.84 0.00 0.00 35.03 29.07 3gxd n LYS 224 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3gxd s LEU 225 N -7.24 2.48 0.20 -0.35 1.43 -1.00 -5.00 118.68 109.19 3gxd s LEU 225 Ca 0.65 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.41 3gxd s LEU 225 Cb -0.35 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3gxd s LEU 225 CO 0.90 0.14 -0.02 -1.10 0.23 0.00 0.00 176.35 176.51 3gxd s GLN 226 N 0.46 2.32 -0.01 1.70 -1.52 -1.26 -3.08 119.66 118.26 3gxd s GLN 226 Ca -0.12 -1.21 0.03 0.00 -1.95 0.00 0.00 55.36 52.11 3gxd s GLN 226 Cb -0.16 -2.28 -0.03 0.00 -0.22 0.00 0.00 33.01 30.32 3gxd s GLN 226 CO 0.05 0.43 -0.08 -0.06 -0.25 0.00 0.00 175.29 175.39 3gxd s PHE 227 N -1.87 2.88 -0.14 0.91 0.40 -1.26 -4.55 117.98 114.35 3gxd s PHE 227 Ca 0.28 -0.04 -0.24 0.00 -0.60 0.00 0.00 56.93 56.33 3gxd s PHE 227 Cb -0.08 -1.63 -0.21 0.00 0.51 0.00 0.00 43.02 41.61 3gxd s PHE 227 CO 0.18 0.35 0.60 2.35 0.70 0.00 0.00 175.22 179.40 3gxd h TRP 228 N 4.72 0.00 -3.85 0.36 7.01 -1.37 -3.44 115.95 119.38 3gxd h TRP 228 Ca -0.48 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 60.43 3gxd h TRP 228 Cb 1.17 0.00 -0.14 0.00 -2.10 0.00 0.00 29.16 28.09 3gxd h TRP 228 CO 0.57 0.88 -0.40 0.00 -2.79 0.00 0.00 178.44 176.70 3gxd s ALA 229 N -2.29 -0.15 0.06 2.65 0.00 -1.03 -1.58 121.76 119.42 3gxd s ALA 229 Ca -0.17 -0.68 0.06 0.00 0.00 0.00 0.00 51.96 51.17 3gxd s ALA 229 Cb -0.02 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 3gxd s ALA 229 CO 0.57 -0.50 -0.16 0.14 0.00 0.00 0.00 175.76 175.82 3gxd s VAL 230 N -3.87 1.25 0.04 0.00 -7.23 -0.53 -1.56 120.40 108.50 3gxd s VAL 230 Ca 0.05 -1.20 -0.06 0.00 -1.81 0.00 0.00 61.98 58.95 3gxd s VAL 230 Cb 0.05 -1.15 -0.05 0.00 0.56 0.00 0.00 36.38 35.79 3gxd s VAL 230 CO -0.11 -0.07 0.30 0.42 -0.31 0.00 0.00 175.10 175.33 3gxd s THR 231 N -1.04 5.26 0.65 5.32 -4.23 -0.14 -1.40 115.64 120.06 3gxd s THR 231 Ca 0.02 0.16 0.28 0.00 -1.18 0.00 0.00 61.69 60.96 3gxd s THR 231 Cb -0.09 -3.59 0.30 0.00 1.34 0.00 0.00 72.50 70.46 3gxd s THR 231 CO 0.02 0.30 1.85 0.00 -0.54 0.00 0.00 174.62 176.25 3gxd h ALA 232 N 3.75 1.59 0.00 3.99 0.00 -1.56 -3.42 119.26 123.61 3gxd h ALA 232 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3gxd h ALA 232 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3gxd h ALA 232 CO 0.68 -0.48 0.00 -1.91 0.00 0.00 0.00 179.25 177.54 3gxd n GLU 233 N -3.06 0.00 -2.59 0.00 4.07 -1.26 -4.92 120.64 112.88 3gxd n GLU 233 Ca 0.01 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.70 3gxd n GLU 233 Cb 0.50 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.84 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 7.34 -1.25 4.31 2.47 0.44 -4.32 114.94 123.92 3gxd s ASN 234 Ca 0.00 1.96 -0.32 0.00 0.42 0.00 0.00 52.86 54.92 3gxd s ASN 234 Cb 0.00 -2.60 0.04 0.00 -1.45 0.00 0.00 41.25 37.25 3gxd s ASN 234 CO 0.00 -0.18 0.61 -0.62 -3.72 0.00 0.00 177.10 173.19 3gxd n GLU 235 N 2.69 -0.26 0.32 0.43 1.02 0.12 -4.77 120.64 120.18 3gxd n GLU 235 Ca 0.03 0.05 0.21 0.00 -0.02 0.00 0.00 57.16 57.44 3gxd n GLU 235 Cb 0.47 -2.55 1.07 0.00 -0.02 0.00 0.00 31.44 30.41 3gxd n GLU 235 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3gxd h PRO 236 N -2.61 0.00 0.00 3.49 0.13 -1.75 0.10 132.00 131.36 3gxd h PRO 236 Ca -0.71 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.40 3gxd h PRO 236 Cb 1.41 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.54 3gxd h PRO 236 CO 0.54 0.00 -0.10 0.66 -0.23 0.00 0.00 178.00 178.87 3gxd h SER 237 N 0.00 0.00 -0.06 1.44 4.64 -1.88 -2.43 113.55 115.27 3gxd h SER 237 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gxd h SER 237 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3gxd h SER 237 CO 0.00 0.10 0.03 0.00 -0.87 0.00 0.00 176.83 176.09 3gxd h ALA 238 N 1.90 0.07 0.00 5.18 0.00 -1.13 -3.20 119.26 122.09 3gxd h ALA 238 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gxd h ALA 238 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3gxd h ALA 238 CO 0.01 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.28 3gxd n GLY 239 N -0.91 1.08 0.00 0.00 0.00 -1.22 -1.90 105.19 102.24 3gxd n GLY 239 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.17 1.51 -4.36 0.99 4.77 -1.21 -1.64 117.00 117.24 3gxd n LEU 240 Ca 0.00 -1.51 -0.34 0.00 -0.03 0.00 0.00 56.01 54.12 3gxd n LEU 240 Cb 0.19 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.14 3gxd n LEU 240 CO 0.00 0.38 -0.40 -0.76 -1.33 0.00 0.00 177.39 175.28 3gxd s LEU 241 N -0.54 2.90 0.02 2.23 1.43 -0.80 -4.95 118.68 118.97 3gxd s LEU 241 Ca 0.00 -0.33 -0.35 0.00 -1.03 0.00 0.00 54.13 52.42 3gxd s LEU 241 Cb 0.00 -1.71 -0.14 0.00 0.03 0.00 0.00 46.19 44.37 3gxd s LEU 241 CO 0.00 0.06 1.62 -0.24 0.23 0.00 0.00 176.35 178.02 3gxd n SER 242 N 4.22 2.73 -0.01 2.29 2.88 -1.26 -2.53 113.62 121.95 3gxd n SER 242 Ca -0.18 1.06 -0.00 0.00 -1.33 0.00 0.00 58.87 58.42 3gxd n SER 242 Cb 0.52 -1.32 -0.00 0.00 -0.75 0.00 0.00 64.21 62.66 3gxd n SER 242 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gxd n GLY 243 N 3.55 0.31 3.65 0.46 0.00 -1.26 -4.84 105.19 107.06 3gxd n GLY 243 Ca 0.20 -0.01 -0.54 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.61 1.80 0.10 1.61 9.36 -1.05 -4.75 117.16 121.63 3gxd n TYR 244 Ca -0.00 0.57 -0.04 0.00 3.32 0.00 0.00 57.90 61.74 3gxd n TYR 244 Cb 0.20 -2.40 0.05 0.00 -0.63 0.00 0.00 39.34 36.55 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 5.94 0.04 -6.13 2.98 0.13 -1.93 -0.26 132.00 132.78 3gxd h PRO 245 Ca -0.47 -0.04 -0.55 0.00 -0.87 0.00 0.00 66.00 64.07 3gxd h PRO 245 Cb 1.32 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.44 3gxd h PRO 245 CO 0.87 0.80 -0.26 -0.59 -0.23 0.00 0.00 178.00 178.58 3gxd s PHE 246 N -3.27 1.71 0.03 1.56 -0.12 -1.26 -4.84 117.98 111.79 3gxd s PHE 246 Ca -0.01 -0.77 -0.33 0.00 -0.05 0.00 0.00 56.93 55.76 3gxd s PHE 246 Cb 0.11 -2.01 -0.12 0.00 -0.63 0.00 0.00 43.02 40.37 3gxd s PHE 246 CO 0.79 -0.59 1.78 1.04 -0.05 0.00 0.00 175.22 178.19 3gxd n GLN 247 N -1.85 2.29 -3.89 1.99 3.00 -1.26 -4.51 117.38 113.15 3gxd n GLN 247 Ca 0.03 0.83 -0.10 0.00 -0.01 0.00 0.00 57.00 57.76 3gxd n GLN 247 Cb 0.63 -2.67 -0.01 0.00 0.00 0.00 0.00 30.24 28.20 3gxd n GLN 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gxd s LEU 249 N -3.07 -1.13 0.30 0.00 2.96 -1.16 -4.51 118.68 112.08 3gxd s LEU 249 Ca 0.18 0.25 -0.28 0.00 -0.22 0.00 0.00 54.13 54.05 3gxd s LEU 249 Cb -0.04 1.76 -0.09 0.00 0.50 0.00 0.00 46.19 48.32 3gxd s LEU 249 CO 0.12 -0.21 1.10 -0.83 -1.32 0.00 0.00 176.35 175.21 3gxd s GLY 250 N 2.88 3.01 -0.01 7.98 0.00 -0.65 -4.61 107.32 115.93 3gxd s GLY 250 Ca 0.16 0.89 0.01 0.00 0.00 0.00 0.00 44.72 45.77 3gxd s GLY 250 CO -0.23 1.46 -0.03 -1.36 0.00 0.00 0.00 173.10 172.94 3gxd s PHE 251 N -1.24 0.33 0.61 1.90 0.40 -0.92 -4.33 117.98 114.73 3gxd s PHE 251 Ca 0.47 -0.05 -0.09 0.00 -0.60 0.00 0.00 56.93 56.66 3gxd s PHE 251 Cb -0.31 -0.26 -0.02 0.00 0.51 0.00 0.00 43.02 42.94 3gxd s PHE 251 CO 0.39 -0.04 0.98 0.95 0.70 0.00 0.00 175.22 178.20 3gxd s THR 252 N 0.19 4.30 0.40 0.64 -4.23 -1.26 -4.33 115.64 111.35 3gxd s THR 252 Ca -0.02 0.52 0.14 0.00 -1.18 0.00 0.00 61.69 61.15 3gxd s THR 252 Cb -0.05 -3.71 0.35 0.00 1.34 0.00 0.00 72.50 70.43 3gxd s THR 252 CO -0.00 -0.86 1.89 -0.65 -0.54 0.00 0.00 174.62 174.46 3gxd h PRO 253 N -0.27 0.49 -0.09 3.99 0.11 -1.98 0.99 132.00 135.23 3gxd h PRO 253 Ca -0.45 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 3gxd h PRO 253 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3gxd h PRO 253 CO 0.62 0.32 -0.18 0.93 -0.21 0.00 0.00 178.00 179.48 3gxd h GLU 254 N 0.50 0.29 -0.39 1.05 3.07 -1.94 0.17 114.58 117.34 3gxd h GLU 254 Ca 0.41 -0.18 0.08 0.00 -0.50 0.00 0.00 59.36 59.17 3gxd h GLU 254 Cb 0.85 0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.71 3gxd h GLU 254 CO -0.15 0.77 -0.13 1.25 -1.40 0.00 0.00 179.01 179.34 3gxd h HIS 255 N -0.16 -0.31 -0.53 4.33 2.76 -1.79 0.18 115.15 119.62 3gxd h HIS 255 Ca 0.00 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.22 3gxd h HIS 255 Cb 0.76 0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.89 3gxd h HIS 255 CO 0.11 -0.21 0.34 0.37 -1.30 0.00 0.00 177.93 177.24 3gxd h GLN 256 N -0.05 0.68 -0.35 5.26 4.15 -0.61 0.51 115.11 124.69 3gxd h GLN 256 Ca 0.19 -0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.64 3gxd h GLN 256 Cb 0.34 -0.15 -0.07 0.00 0.21 0.00 0.00 27.48 27.81 3gxd h GLN 256 CO -0.43 0.45 -0.08 -0.09 -1.93 0.00 0.00 178.83 176.75 3gxd h ARG 257 N 0.70 0.01 0.00 1.69 2.43 0.29 -0.40 114.38 119.10 3gxd h ARG 257 Ca 0.20 -0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.20 3gxd h ARG 257 Cb -0.05 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3gxd h ARG 257 CO -0.06 0.00 -0.81 -0.44 -1.51 0.00 0.00 179.97 177.15 3gxd h ASP 258 N 0.01 0.00 -0.70 -3.80 3.32 -0.16 -1.40 116.42 113.69 3gxd h ASP 258 Ca 0.17 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 3gxd h ASP 258 Cb 0.26 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3gxd h ASP 258 CO -0.36 0.81 0.37 0.15 -1.72 0.00 0.00 179.24 178.49 3gxd h PHE 259 N 0.00 0.97 -0.19 4.55 3.57 0.64 0.70 116.94 127.17 3gxd h PHE 259 Ca -0.01 -0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.27 3gxd h PHE 259 Cb 1.54 -0.31 0.01 0.00 2.79 0.00 0.00 35.95 39.98 3gxd h PHE 259 CO 0.00 0.70 -0.65 0.82 -2.23 0.00 0.00 178.31 176.95 3gxd h ILE 260 N 0.96 1.29 0.27 1.41 2.04 -0.78 -0.47 117.51 122.24 3gxd h ILE 260 Ca 0.24 -1.85 -0.01 0.00 1.00 0.00 0.00 64.86 64.24 3gxd h ILE 260 Cb 0.06 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 3gxd h ILE 260 CO -0.04 0.59 -0.13 0.00 0.00 0.00 0.00 178.15 178.57 3gxd h ALA 261 N 0.58 -0.37 0.00 1.87 0.00 -1.18 0.28 119.26 120.45 3gxd h ALA 261 Ca -0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3gxd h ALA 261 Cb 1.27 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3gxd h ALA 261 CO 0.14 -0.52 -0.48 0.00 0.00 0.00 0.00 179.25 178.38 3gxd h ARG 262 N -0.73 0.00 0.00 0.00 2.47 -0.91 -3.40 114.38 111.80 3gxd h ARG 262 Ca -0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 3gxd h ARG 262 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 3gxd h ARG 262 CO 0.06 0.15 0.00 -0.25 0.56 0.00 0.00 179.97 180.50 3gxd n ASP 263 N -3.02 0.02 -0.04 7.04 8.00 -0.73 -4.76 116.55 123.06 3gxd n ASP 263 Ca 0.01 0.03 -0.10 0.00 0.71 0.00 0.00 54.79 55.45 3gxd n ASP 263 Cb 0.62 0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.70 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 0.17 0.56 0.64 5.85 -1.16 -0.91 115.31 120.46 3gxd h LEU 264 Ca 0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3gxd h LEU 264 Cb 0.00 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3gxd h LEU 264 CO 0.00 0.13 -0.38 1.23 -0.34 0.00 0.00 178.44 179.08 3gxd h GLY 265 N 0.23 -0.99 0.93 3.75 0.00 -0.66 -1.29 103.07 105.04 3gxd h GLY 265 Ca 0.08 0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.78 3gxd h GLY 265 CO -0.05 -0.35 0.01 -2.55 0.00 0.00 0.00 176.54 173.60 3gxd h PRO 266 N -0.90 0.65 -0.26 4.80 0.11 -1.74 -1.11 132.00 133.55 3gxd h PRO 266 Ca -0.06 -0.20 0.06 0.00 0.11 0.00 0.00 66.00 65.91 3gxd h PRO 266 Cb 0.75 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 31.73 3gxd h PRO 266 CO 0.04 0.75 -0.17 1.15 -0.21 0.00 0.00 178.00 179.55 3gxd h THR 267 N 0.47 0.52 -0.73 -1.15 2.02 -1.14 0.79 112.91 113.68 3gxd h THR 267 Ca 0.11 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.30 3gxd h THR 267 Cb 0.45 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 3gxd h THR 267 CO 0.02 0.00 0.48 -0.07 0.37 0.00 0.00 175.52 176.32 3gxd h LEU 268 N -0.16 0.83 -0.80 2.58 3.38 -1.02 -2.67 115.31 117.45 3gxd h LEU 268 Ca 0.14 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3gxd h LEU 268 Cb 0.37 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3gxd h LEU 268 CO -0.35 0.59 0.17 0.00 0.09 0.00 0.00 178.44 178.94 3gxd h ALA 269 N 1.27 1.02 0.00 1.53 0.00 -0.23 -2.34 119.26 120.52 3gxd h ALA 269 Ca 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gxd h ALA 269 Cb -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3gxd h ALA 269 CO -0.07 0.64 0.00 -0.97 0.00 0.00 0.00 179.25 178.86 3gxd h ASN 270 N 1.02 0.00 -3.33 0.00 -1.24 -0.66 -3.44 115.58 107.93 3gxd h ASN 270 Ca 0.21 0.00 -0.47 0.00 0.71 0.00 0.00 56.30 56.76 3gxd h ASN 270 Cb 0.35 0.00 0.05 0.00 0.73 0.00 0.00 38.32 39.45 3gxd h ASN 270 CO 0.00 0.00 0.08 -0.94 -1.29 0.00 0.00 177.43 175.28 3gxd s SER 271 N -5.05 5.68 0.18 1.15 1.04 -0.88 -4.97 113.70 110.85 3gxd s SER 271 Ca 0.03 0.57 0.19 0.00 0.48 0.00 0.00 55.95 57.22 3gxd s SER 271 Cb 0.09 -1.65 0.85 0.00 0.10 0.00 0.00 66.02 65.41 3gxd s SER 271 CO 0.49 -0.94 1.59 0.35 0.98 0.00 0.00 173.24 175.71 3gxd n THR 272 N -2.41 0.99 -1.16 2.02 -2.24 -1.26 -2.67 114.28 107.55 3gxd n THR 272 Ca 0.03 0.33 -0.14 0.00 -2.27 0.00 0.00 64.05 62.00 3gxd n THR 272 Cb 0.58 -1.23 0.24 0.00 -2.10 0.00 0.00 70.33 67.82 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 -2.00 2.64 0.28 4.78 8.25 -1.26 -4.63 115.22 123.28 3gxd n HIS 273 Ca 0.02 -1.53 0.18 0.00 -0.26 0.00 0.00 57.72 56.13 3gxd n HIS 273 Cb 0.17 -0.79 0.96 0.00 1.12 0.00 0.00 29.99 31.44 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 1.76 0.00 0.00 4.41 -0.00 -1.49 -2.19 115.15 117.65 3gxd h HIS 274 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.81 3gxd h HIS 274 Cb 2.54 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.95 3gxd h HIS 274 CO 1.41 0.00 0.00 0.09 -0.00 0.00 0.00 177.93 179.43 3gxd n ASN 275 N -3.49 0.00 -4.71 3.10 3.02 -1.26 -4.79 115.26 107.14 3gxd n ASN 275 Ca -0.01 0.40 -0.41 0.00 -0.03 0.00 0.00 54.58 54.53 3gxd n ASN 275 Cb 0.21 -0.44 -0.04 0.00 -0.61 0.00 0.00 39.78 38.91 3gxd n ASN 275 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gxd s VAL 276 N -2.89 4.92 0.67 2.41 1.01 -0.83 -5.00 120.40 120.70 3gxd s VAL 276 Ca 0.07 1.82 -0.11 0.00 0.00 0.00 0.00 61.98 63.76 3gxd s VAL 276 Cb 0.07 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.25 3gxd s VAL 276 CO 0.19 0.16 1.06 -0.13 0.00 0.00 0.00 175.10 176.38 3gxd s ARG 277 N 1.18 3.02 -0.06 2.72 1.81 -0.61 -4.88 118.95 122.13 3gxd s ARG 277 Ca 0.45 0.46 0.00 0.00 -1.72 0.00 0.00 55.73 54.92 3gxd s ARG 277 Cb -0.19 -2.07 0.02 0.00 -0.45 0.00 0.00 34.95 32.26 3gxd s ARG 277 CO 0.22 -0.89 -0.04 -1.17 -0.68 0.00 0.00 175.30 172.74 3gxd s LEU 278 N -5.27 1.08 -0.09 2.53 2.96 -1.26 -1.45 118.68 117.17 3gxd s LEU 278 Ca 0.57 -0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 54.31 3gxd s LEU 278 Cb -0.11 -0.51 -0.03 0.00 0.50 0.00 0.00 46.19 46.04 3gxd s LEU 278 CO 0.51 -0.10 0.02 -0.76 -1.32 0.00 0.00 176.35 174.70 3gxd s LEU 279 N 1.35 3.71 0.60 -0.68 1.43 -0.49 -0.66 118.68 123.94 3gxd s LEU 279 Ca -0.04 0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 3gxd s LEU 279 Cb -0.13 -1.86 0.07 0.00 0.03 0.00 0.00 46.19 44.30 3gxd s LEU 279 CO -0.03 0.38 0.83 0.00 0.23 0.00 0.00 176.35 177.77 3gxd s MET 280 N -0.89 2.24 0.00 1.70 0.23 -0.66 -1.37 119.30 120.55 3gxd s MET 280 Ca 0.13 -1.08 0.00 0.00 -1.03 0.00 0.00 55.69 53.72 3gxd s MET 280 Cb -0.11 -2.49 0.00 0.00 -1.53 0.00 0.00 34.83 30.70 3gxd s MET 280 CO 0.03 -0.94 0.00 -0.11 -2.03 0.00 0.00 175.02 171.96 3gxd n LEU 281 N -2.44 0.00 -3.75 0.18 7.94 -1.26 -0.35 117.00 117.32 3gxd n LEU 281 Ca 0.12 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.68 3gxd n LEU 281 Cb 0.60 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.59 3gxd n LEU 281 CO 0.43 0.00 -0.09 -0.67 -1.11 0.00 0.00 177.39 175.95 3gxd n ASP 282 N 4.30 -5.16 -3.63 1.96 2.03 0.11 -4.33 116.55 111.84 3gxd n ASP 282 Ca 0.00 -1.05 -0.02 0.00 0.52 0.00 0.00 54.79 54.24 3gxd n ASP 282 Cb 0.00 -3.01 -0.00 0.00 -0.72 0.00 0.00 41.12 37.39 3gxd n ASP 282 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3gxd s ASP 283 N -3.44 -0.10 0.25 1.67 -1.08 -1.19 0.11 116.67 112.88 3gxd s ASP 283 Ca 0.45 -0.40 -0.30 0.00 -0.52 0.00 0.00 52.55 51.77 3gxd s ASP 283 Cb -0.18 0.40 -0.14 0.00 -1.46 0.00 0.00 42.92 41.54 3gxd s ASP 283 CO 0.88 -0.76 1.22 0.00 0.52 0.00 0.00 175.17 177.03 3gxd n GLN 284 N -0.55 1.63 0.25 4.34 1.13 -1.26 -1.53 117.38 121.39 3gxd n GLN 284 Ca -0.05 0.58 0.17 0.00 -1.94 0.00 0.00 57.00 55.75 3gxd n GLN 284 Cb 0.61 -2.11 0.74 0.00 0.11 0.00 0.00 30.24 29.59 3gxd n GLN 284 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 3gxd h ARG 285 N 3.21 0.00 -1.62 -1.09 0.11 -1.96 -2.22 114.38 110.81 3gxd h ARG 285 Ca -0.43 0.00 0.49 0.00 0.10 0.00 0.00 59.98 60.14 3gxd h ARG 285 Cb 1.31 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 32.29 3gxd h ARG 285 CO 0.69 0.00 1.12 -0.07 0.10 0.00 0.00 179.97 181.81 3gxd h LEU 286 N 0.00 0.10 -0.64 0.08 3.38 -1.92 0.51 115.31 116.82 3gxd h LEU 286 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3gxd h LEU 286 Cb 0.36 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3gxd h LEU 286 CO 0.00 -0.08 0.00 0.18 0.09 0.00 0.00 178.44 178.63 3gxd n LEU 287 N -4.28 0.56 -4.31 1.67 4.77 -0.84 -4.76 117.00 109.81 3gxd n LEU 287 Ca 0.39 -0.28 -0.28 0.00 -0.03 0.00 0.00 56.01 55.81 3gxd n LEU 287 Cb 1.69 -0.28 -0.14 0.00 -2.33 0.00 0.00 43.42 42.36 3gxd n LEU 287 CO 0.34 0.14 -0.55 -0.76 -1.33 0.00 0.00 177.39 175.23 3gxd s LEU 288 N -0.36 2.19 0.00 2.23 1.43 0.17 -1.20 118.68 123.14 3gxd s LEU 288 Ca 0.00 -0.59 0.19 0.00 -1.03 0.00 0.00 54.13 52.70 3gxd s LEU 288 Cb 0.00 -1.15 0.61 0.00 0.03 0.00 0.00 46.19 45.68 3gxd s LEU 288 CO 0.00 0.21 1.46 -0.81 0.23 0.00 0.00 176.35 177.44 3gxd n PRO 289 N 1.68 1.84 -0.12 1.29 -0.04 -1.26 -4.59 135.00 133.80 3gxd n PRO 289 Ca -0.17 -1.28 -0.05 0.00 -0.04 0.00 0.00 63.50 61.96 3gxd n PRO 289 Cb 0.53 -1.38 0.01 0.00 -0.04 0.00 0.00 33.50 32.62 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 2.41 -0.35 -0.98 0.54 2.76 -1.87 -1.67 115.15 115.99 3gxd h HIS 290 Ca 0.00 0.04 0.14 0.00 -2.20 0.00 0.00 60.37 58.35 3gxd h HIS 290 Cb 0.54 0.22 -0.09 0.00 1.55 0.00 0.00 27.41 29.62 3gxd h HIS 290 CO 0.16 -0.23 0.60 -1.49 -1.30 0.00 0.00 177.93 175.67 3gxd h TRP 291 N -0.07 1.07 -0.60 5.26 4.06 -1.53 -2.20 115.95 121.94 3gxd h TRP 291 Ca 0.20 0.03 -0.10 0.00 2.06 0.00 0.00 58.89 61.08 3gxd h TRP 291 Cb 0.37 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 28.17 3gxd h TRP 291 CO -0.40 0.36 -0.00 0.00 -3.56 0.00 0.00 178.44 174.84 3gxd h ALA 292 N 1.57 0.85 0.33 1.49 0.00 -1.56 -2.50 119.26 119.44 3gxd h ALA 292 Ca 0.51 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3gxd h ALA 292 Cb 0.61 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3gxd h ALA 292 CO -0.31 0.67 -0.46 0.87 0.00 0.00 0.00 179.25 180.02 3gxd h LYS 293 N 0.97 -0.81 -0.70 0.00 1.57 -0.82 0.16 116.57 116.94 3gxd h LYS 293 Ca 0.17 0.06 0.09 0.00 -1.87 0.00 0.00 60.65 59.09 3gxd h LYS 293 Cb 0.56 0.18 -0.07 0.00 0.08 0.00 0.00 32.23 32.99 3gxd h LYS 293 CO 0.03 -0.54 0.35 0.28 -0.57 0.00 0.00 179.45 179.00 3gxd h VAL 294 N -0.84 0.87 0.07 0.50 2.07 -1.39 -1.87 116.25 115.66 3gxd h VAL 294 Ca -0.03 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 3gxd h VAL 294 Cb 0.78 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3gxd h VAL 294 CO -0.14 0.11 -0.52 0.58 0.02 0.00 0.00 177.57 177.63 3gxd h VAL 295 N 0.61 1.57 0.00 2.57 2.07 -1.28 -3.38 116.25 118.41 3gxd h VAL 295 Ca 0.34 -2.42 -0.16 0.00 0.82 0.00 0.00 66.70 65.28 3gxd h VAL 295 Cb 0.33 3.19 -0.03 0.00 -1.52 0.00 0.00 31.29 33.27 3gxd h VAL 295 CO -0.25 0.64 -0.98 -0.07 0.02 0.00 0.00 177.57 176.93 3gxd h LEU 296 N -0.70 0.00 0.00 2.57 3.38 -0.66 -2.90 115.31 117.00 3gxd h LEU 296 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3gxd h LEU 296 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3gxd h LEU 296 CO 0.05 0.67 0.00 0.35 0.09 0.00 0.00 178.44 179.60 3gxd n THR 297 N -3.13 0.00 -3.80 0.22 -2.24 -0.71 -4.24 114.28 100.38 3gxd n THR 297 Ca -0.03 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.38 3gxd n THR 297 Cb 0.83 -0.37 -0.12 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.60 5.19 0.33 3.42 2.15 -1.10 -4.98 116.67 120.07 3gxd s ASP 298 Ca 0.11 -1.64 0.10 0.00 0.43 0.00 0.00 52.55 51.55 3gxd s ASP 298 Cb 0.05 -1.81 0.99 0.00 -0.30 0.00 0.00 42.92 41.85 3gxd s ASP 298 CO 0.09 -0.43 1.61 1.55 -0.17 0.00 0.00 175.17 177.82 3gxd h PRO 299 N 8.09 0.12 -0.37 4.34 0.13 -1.85 -0.17 132.00 142.29 3gxd h PRO 299 Ca -0.18 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3gxd h PRO 299 Cb 1.06 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 3gxd h PRO 299 CO 0.64 0.08 0.23 1.49 -0.23 0.00 0.00 178.00 180.22 3gxd h GLU 300 N 0.12 0.49 0.36 0.86 4.57 -1.93 -0.72 114.58 118.34 3gxd h GLU 300 Ca 0.69 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.82 3gxd h GLU 300 Cb 1.59 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 30.08 3gxd h GLU 300 CO -0.74 0.34 -0.17 0.00 -1.18 0.00 0.00 179.01 177.26 3gxd h ALA 301 N 1.12 -0.48 -0.98 2.92 0.00 -1.48 -3.34 119.26 117.01 3gxd h ALA 301 Ca 0.13 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 55.08 3gxd h ALA 301 Cb -0.03 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.85 3gxd h ALA 301 CO -0.03 -0.62 0.62 0.00 0.00 0.00 0.00 179.25 179.22 3gxd h ALA 302 N -0.30 1.98 0.00 0.00 0.00 -0.95 0.37 119.26 120.36 3gxd h ALA 302 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gxd h ALA 302 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3gxd h ALA 302 CO 0.08 -0.34 0.00 0.36 0.00 0.00 0.00 179.25 179.35 3gxd n LYS 303 N -4.65 0.02 -0.08 0.00 2.85 -0.29 -2.54 118.16 113.47 3gxd n LYS 303 Ca 0.23 0.44 -0.08 0.00 -1.05 0.00 0.00 58.31 57.84 3gxd n LYS 303 Cb 0.69 -1.54 -0.13 0.00 -0.65 0.00 0.00 35.03 33.39 3gxd n LYS 303 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3gxd n TYR 304 N -1.57 0.00 -2.59 5.58 0.53 0.10 -4.94 117.16 114.27 3gxd n TYR 304 Ca 0.01 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.46 3gxd n TYR 304 Cb 0.06 -0.83 -0.02 0.00 -1.03 0.00 0.00 39.34 37.51 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 -2.42 4.55 -0.10 -0.72 1.01 -1.05 -4.47 120.40 117.20 3gxd s VAL 305 Ca -0.08 1.85 0.16 0.00 0.00 0.00 0.00 61.98 63.90 3gxd s VAL 305 Cb 0.05 -4.19 -0.17 0.00 0.00 0.00 0.00 36.38 32.08 3gxd s VAL 305 CO 0.70 -0.03 0.77 1.57 0.00 0.00 0.00 175.10 178.10 3gxd n HIS 306 N 5.36 0.98 -3.83 5.22 -0.00 0.17 -4.96 115.22 118.15 3gxd n HIS 306 Ca 0.10 0.33 -0.05 0.00 0.46 0.00 0.00 57.72 58.56 3gxd n HIS 306 Cb 0.47 -1.12 0.01 0.00 -0.12 0.00 0.00 29.99 29.24 3gxd n HIS 306 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 3gxd s GLY 307 N -4.89 0.10 -0.07 1.57 0.00 -1.17 -3.65 107.32 99.20 3gxd s GLY 307 Ca -0.04 -0.37 0.04 0.00 0.00 0.00 0.00 44.72 44.36 3gxd s GLY 307 CO 0.82 0.78 -0.20 -0.42 0.00 0.00 0.00 173.10 174.08 3gxd s ILE 308 N -2.64 2.52 -0.13 0.90 1.01 -0.00 -1.65 121.20 121.21 3gxd s ILE 308 Ca 0.17 -0.89 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 3gxd s ILE 308 Cb -0.03 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 3gxd s ILE 308 CO 0.07 0.56 0.10 0.00 0.00 0.00 0.00 174.94 175.67 3gxd s ALA 309 N -0.16 3.67 0.21 9.38 0.00 0.53 -1.63 121.76 133.76 3gxd s ALA 309 Ca -0.02 -0.69 0.08 0.00 0.00 0.00 0.00 51.96 51.33 3gxd s ALA 309 Cb -0.14 -1.88 -0.05 0.00 0.00 0.00 0.00 23.12 21.05 3gxd s ALA 309 CO 0.04 0.50 -0.16 0.14 0.00 0.00 0.00 175.76 176.28 3gxd s VAL 310 N -0.65 1.84 -0.01 0.00 -7.23 0.64 -0.71 120.40 114.29 3gxd s VAL 310 Ca 0.12 -2.19 0.05 0.00 -1.81 0.00 0.00 61.98 58.15 3gxd s VAL 310 Cb -0.12 -2.04 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 3gxd s VAL 310 CO 0.02 -0.52 -0.16 -1.00 -0.31 0.00 0.00 175.10 173.13 3gxd s HIS 311 N -2.76 1.39 0.01 2.82 3.76 -0.58 -0.57 115.29 119.36 3gxd s HIS 311 Ca 0.22 -0.27 0.05 0.00 -0.15 0.00 0.00 55.06 54.91 3gxd s HIS 311 Cb -0.02 -0.89 -0.02 0.00 1.11 0.00 0.00 32.58 32.76 3gxd s HIS 311 CO 0.08 -0.02 -0.15 -0.46 -0.85 0.00 0.00 174.74 173.34 3gxd s TRP 312 N -0.40 1.37 -0.37 1.40 -0.00 -0.35 -3.67 118.94 116.93 3gxd s TRP 312 Ca 0.06 -0.29 -0.17 0.00 -0.00 0.00 0.00 56.10 55.70 3gxd s TRP 312 Cb -0.06 -0.86 0.00 0.00 -0.00 0.00 0.00 33.47 32.55 3gxd s TRP 312 CO -0.00 0.00 0.43 0.71 -0.00 0.00 0.00 176.95 178.09 3gxd s TYR 313 N -0.52 3.18 -0.46 5.86 1.51 -1.26 -2.78 117.35 122.88 3gxd s TYR 313 Ca 0.05 -0.08 0.25 0.00 -1.01 0.00 0.00 57.07 56.28 3gxd s TYR 313 Cb -0.07 -2.83 0.55 0.00 -0.11 0.00 0.00 41.96 39.51 3gxd s TYR 313 CO 0.00 -0.56 1.68 -0.07 -1.11 0.00 0.00 175.55 175.50 3gxd h LEU 314 N 8.96 0.00 -1.57 -1.29 3.38 -1.72 -2.55 115.31 120.52 3gxd h LEU 314 Ca -0.28 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 3gxd h LEU 314 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3gxd h LEU 314 CO 0.75 0.00 -0.22 0.44 0.09 0.00 0.00 178.44 179.50 3gxd h ASP 315 N 0.00 0.00 -1.70 -0.43 3.32 -1.94 -3.46 116.42 112.21 3gxd h ASP 315 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gxd h ASP 315 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 3gxd h ASP 315 CO 0.00 0.22 0.00 0.49 -1.72 0.00 0.00 179.24 178.23 3gxd n PHE 316 N -3.90 -0.35 -3.67 4.55 3.01 -0.96 -5.08 117.46 111.06 3gxd n PHE 316 Ca -0.02 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.33 3gxd n PHE 316 Cb 0.31 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.67 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 -0.33 0.23 4.37 2.01 -1.26 -5.04 118.68 118.65 3gxd s LEU 317 Ca 0.00 0.80 0.08 0.00 0.01 0.00 0.00 54.13 55.02 3gxd s LEU 317 Cb 0.00 1.08 -0.04 0.00 0.01 0.00 0.00 46.19 47.24 3gxd s LEU 317 CO 0.00 -0.22 0.08 0.00 1.01 0.00 0.00 176.35 177.22 3gxd s ALA 318 N 2.20 3.36 -0.09 4.21 0.00 -1.26 -5.09 121.76 125.09 3gxd s ALA 318 Ca -0.03 -1.45 -0.22 0.00 0.00 0.00 0.00 51.96 50.26 3gxd s ALA 318 Cb -0.11 -1.07 -0.19 0.00 0.00 0.00 0.00 23.12 21.75 3gxd s ALA 318 CO -0.11 0.34 0.75 -1.35 0.00 0.00 0.00 175.76 175.40 3gxd h PRO 319 N 2.02 -0.06 0.00 0.00 0.11 -2.00 -3.49 132.00 128.59 3gxd h PRO 319 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gxd h PRO 319 Cb 1.23 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3gxd h PRO 319 CO 0.60 0.57 0.00 0.00 -0.21 0.00 0.00 178.00 178.97 3gxd n ALA 320 N -2.59 0.00 0.12 -0.75 0.00 -1.26 -4.81 120.51 111.22 3gxd n ALA 320 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 3gxd n ALA 320 Cb 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.63 0.00 0.00 1.63 -1.94 0.47 116.57 116.10 3gxd h LYS 321 Ca 0.00 0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 3gxd h LYS 321 Cb 0.00 0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.77 3gxd h LYS 321 CO 0.00 -0.42 -0.03 0.00 -3.45 0.00 0.00 179.45 175.55 3gxd h ALA 322 N -0.19 1.11 -3.00 5.00 0.00 -1.95 0.00 119.26 120.23 3gxd h ALA 322 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gxd h ALA 322 Cb 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3gxd h ALA 322 CO -0.24 0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.30 3gxd n THR 323 N -3.28 0.00 -0.24 0.00 -2.24 -0.88 -4.34 114.28 103.30 3gxd n THR 323 Ca -0.02 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.78 3gxd n THR 323 Cb 0.17 -0.89 0.24 0.00 -2.10 0.00 0.00 70.33 67.75 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 0.88 0.16 3.22 3.38 -0.76 -2.01 115.31 120.19 3gxd h LEU 324 Ca 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3gxd h LEU 324 Cb 0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3gxd h LEU 324 CO 0.00 0.62 -0.10 1.23 0.09 0.00 0.00 178.44 180.28 3gxd h GLY 325 N 1.03 -0.54 -0.18 0.83 0.00 0.15 -1.54 103.07 102.82 3gxd h GLY 325 Ca 0.31 0.22 0.25 0.00 0.00 0.00 0.00 47.33 48.12 3gxd h GLY 325 CO -0.08 -0.19 0.60 -2.09 0.00 0.00 0.00 176.54 174.78 3gxd h GLU 326 N -0.25 0.53 -0.21 4.80 4.57 -1.14 -1.85 114.58 121.03 3gxd h GLU 326 Ca -0.02 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 3gxd h GLU 326 Cb 0.20 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 3gxd h GLU 326 CO 0.02 0.35 -0.01 1.15 -1.18 0.00 0.00 179.01 179.34 3gxd h THR 327 N 0.54 1.26 -0.31 0.32 2.02 -1.08 -0.26 112.91 115.40 3gxd h THR 327 Ca 0.65 -0.91 0.07 0.00 0.77 0.00 0.00 66.41 66.99 3gxd h THR 327 Cb 1.29 1.43 -0.08 0.00 -1.74 0.00 0.00 68.15 69.05 3gxd h THR 327 CO -0.47 0.28 -0.31 -0.74 0.37 0.00 0.00 175.52 174.65 3gxd h HIS 328 N 0.14 -0.86 -0.58 3.16 -0.00 -1.05 -0.34 115.15 115.61 3gxd h HIS 328 Ca 0.06 0.05 0.10 0.00 -0.00 0.00 0.00 60.37 60.58 3gxd h HIS 328 Cb 0.42 0.43 -0.11 0.00 -0.00 0.00 0.00 27.41 28.14 3gxd h HIS 328 CO 0.04 -0.38 -0.35 -0.09 -0.00 0.00 0.00 177.93 177.15 3gxd h ARG 329 N -0.29 -0.17 0.00 5.26 9.65 -0.57 0.49 114.38 128.76 3gxd h ARG 329 Ca 0.15 0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.95 3gxd h ARG 329 Cb 0.53 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 3gxd h ARG 329 CO -0.47 -0.11 -0.42 -0.07 2.80 0.00 0.00 179.97 181.69 3gxd h LEU 330 N -0.18 0.00 -5.83 3.80 3.38 -0.73 -3.38 115.31 112.38 3gxd h LEU 330 Ca 0.22 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.70 3gxd h LEU 330 Cb 0.55 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 40.96 3gxd h LEU 330 CO -0.68 0.42 -1.02 0.49 0.09 0.00 0.00 178.44 177.75 3gxd n PHE 331 N -3.98 -0.78 0.36 1.13 3.01 0.03 -4.94 117.46 112.28 3gxd n PHE 331 Ca -0.02 -3.30 0.05 0.00 1.01 0.00 0.00 57.45 55.19 3gxd n PHE 331 Cb 0.45 -0.02 0.23 0.00 -0.01 0.00 0.00 39.48 40.12 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 1.22 0.00 -0.02 -1.08 -0.04 -0.39 -2.48 135.00 132.20 3gxd n PRO 332 Ca 0.19 0.32 0.06 0.00 -0.04 0.00 0.00 63.50 64.04 3gxd n PRO 332 Cb 0.57 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.50 2.14 -4.32 3.54 3.02 -1.26 -4.77 115.26 112.11 3gxd n ASN 333 Ca 0.03 -1.57 -0.37 0.00 -0.03 0.00 0.00 54.58 52.64 3gxd n ASN 333 Cb 0.12 -0.03 -0.13 0.00 -0.61 0.00 0.00 39.78 39.14 3gxd n ASN 333 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3gxd s THR 334 N -1.04 3.78 0.72 3.41 -4.23 -1.04 -5.00 115.64 112.25 3gxd s THR 334 Ca 0.16 -0.72 -0.15 0.00 -1.18 0.00 0.00 61.69 59.80 3gxd s THR 334 Cb 0.11 -2.93 0.03 0.00 1.34 0.00 0.00 72.50 71.05 3gxd s THR 334 CO 0.16 0.12 1.20 0.00 -0.54 0.00 0.00 174.62 175.55 3gxd s MET 335 N 1.48 2.24 -0.15 3.99 0.23 -1.24 -4.67 119.30 121.17 3gxd s MET 335 Ca 0.02 1.72 -0.05 0.00 -1.03 0.00 0.00 55.69 56.35 3gxd s MET 335 Cb -0.17 -1.85 -0.04 0.00 -1.53 0.00 0.00 34.83 31.25 3gxd s MET 335 CO 0.01 -1.75 0.03 -0.51 -2.03 0.00 0.00 175.02 170.78 3gxd s LEU 336 N -5.08 3.68 -0.04 0.18 1.43 -1.26 -0.82 118.68 116.76 3gxd s LEU 336 Ca 0.73 0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.91 3gxd s LEU 336 Cb -0.28 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.07 3gxd s LEU 336 CO 0.44 0.24 0.01 0.12 0.23 0.00 0.00 176.35 177.39 3gxd s PHE 337 N -0.01 0.32 -0.49 0.29 5.36 -0.64 0.30 117.98 123.10 3gxd s PHE 337 Ca 0.04 0.02 -0.23 0.00 -0.96 0.00 0.00 56.93 55.81 3gxd s PHE 337 Cb -0.12 -0.49 0.03 0.00 -0.34 0.00 0.00 43.02 42.10 3gxd s PHE 337 CO 0.01 -0.18 0.82 0.00 -1.46 0.00 0.00 175.22 174.42 3gxd s ALA 338 N 1.41 3.26 -0.36 11.12 0.00 -0.66 -0.26 121.76 136.28 3gxd s ALA 338 Ca -0.04 -1.16 0.23 0.00 0.00 0.00 0.00 51.96 50.99 3gxd s ALA 338 Cb -0.13 -3.55 0.17 0.00 0.00 0.00 0.00 23.12 19.61 3gxd s ALA 338 CO -0.03 -2.09 1.28 0.66 0.00 0.00 0.00 175.76 175.58 3gxd h SER 339 N 9.09 0.00 -3.11 0.00 4.64 -1.08 0.19 113.55 123.29 3gxd h SER 339 Ca -0.25 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 60.99 3gxd h SER 339 Cb 1.08 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.93 3gxd h SER 339 CO 1.00 0.01 -0.16 -0.70 -0.87 0.00 0.00 176.83 176.12 3gxd s GLU 340 N -3.29 0.53 0.06 4.77 2.12 -1.17 -4.61 118.70 117.12 3gxd s GLU 340 Ca 0.03 0.99 0.04 0.00 0.36 0.00 0.00 54.97 56.38 3gxd s GLU 340 Cb 0.09 0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.51 3gxd s GLU 340 CO 0.74 -0.16 -0.11 0.00 -0.54 0.00 0.00 175.26 175.19 3gxd s ALA 341 N 1.53 0.91 -0.18 6.30 0.00 -1.05 -1.20 121.76 128.06 3gxd s ALA 341 Ca -0.10 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 50.66 3gxd s ALA 341 Cb -0.07 -0.03 0.12 0.00 0.00 0.00 0.00 23.12 23.15 3gxd s ALA 341 CO -0.16 0.07 0.98 0.00 0.00 0.00 0.00 175.76 176.65 3gxd s VAL 343 N -0.76 5.24 0.00 0.00 -7.23 -1.26 -1.66 120.40 114.74 3gxd s VAL 343 Ca -0.01 0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 3gxd s VAL 343 Cb -0.02 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.26 3gxd s VAL 343 CO 0.00 0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.51 3gxd n GLY 344 N 4.96 -1.43 3.77 2.32 0.00 -1.26 -2.16 105.19 111.38 3gxd n GLY 344 Ca -0.11 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.06 3gxd n GLY 344 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gxd s SER 345 N -1.33 6.33 0.00 1.61 1.04 -1.22 -4.64 113.70 115.49 3gxd s SER 345 Ca 0.00 2.50 0.00 0.00 0.48 0.00 0.00 55.95 58.93 3gxd s SER 345 Cb 0.00 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.49 3gxd s SER 345 CO 0.00 -0.82 0.47 1.17 0.98 0.00 0.00 173.24 175.04 3gxd n LYS 346 N -0.00 0.51 -2.71 4.02 3.00 -1.26 -4.77 118.16 116.94 3gxd n LYS 346 Ca 0.05 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.30 3gxd n LYS 346 Cb 0.45 -1.04 0.02 0.00 0.00 0.00 0.00 35.03 34.46 3gxd n LYS 346 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3gxd n PHE 347 N -0.39 -0.65 0.00 5.64 3.01 -1.26 -4.91 117.46 118.90 3gxd n PHE 347 Ca 0.00 0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.68 3gxd n PHE 347 Cb 0.02 -1.94 0.00 0.00 -0.01 0.00 0.00 39.48 37.55 3gxd n PHE 347 CO 0.00 0.00 0.00 -2.67 1.01 0.00 0.00 176.76 175.10 3gxd n TRP 348 N -3.16 0.00 -1.46 1.38 4.27 -1.26 -5.05 117.44 112.16 3gxd n TRP 348 Ca -0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 3gxd n TRP 348 Cb 0.52 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.47 3gxd n TRP 348 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 3gxd n GLU 349 N 0.00 0.00 -0.57 -2.67 -0.58 -1.26 -5.18 120.64 110.37 3gxd n GLU 349 Ca 0.00 0.49 -0.30 0.00 -0.42 0.00 0.00 57.16 56.93 3gxd n GLU 349 Cb 0.00 -1.46 0.22 0.00 -0.57 0.00 0.00 31.44 29.63 3gxd n GLU 349 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3gxd n GLN 350 N -0.51 -1.82 -0.02 3.49 3.00 -1.26 -4.16 117.38 116.11 3gxd n GLN 350 Ca 0.00 -0.50 -0.19 0.00 -0.01 0.00 0.00 57.00 56.30 3gxd n GLN 350 Cb 0.02 -2.08 -0.14 0.00 0.00 0.00 0.00 30.24 28.05 3gxd n GLN 350 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3gxd h SER 351 N -2.36 0.26 -3.29 1.08 4.64 -1.87 -3.39 113.55 108.63 3gxd h SER 351 Ca -0.56 -0.86 -0.58 0.00 -0.47 0.00 0.00 61.79 59.32 3gxd h SER 351 Cb 1.32 -0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 63.26 3gxd h SER 351 CO 0.44 1.39 -0.13 -0.69 -0.87 0.00 0.00 176.83 176.97 3gxd s VAL 352 N -2.39 5.14 -0.33 0.95 1.01 -1.26 -2.76 120.40 120.76 3gxd s VAL 352 Ca -0.19 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 3gxd s VAL 352 Cb 0.02 -3.82 0.11 0.00 0.00 0.00 0.00 36.38 32.69 3gxd s VAL 352 CO 0.74 0.37 0.12 -0.60 0.00 0.00 0.00 175.10 175.73 3gxd s ARG 353 N 0.32 0.75 -0.16 2.72 3.52 -1.26 -5.03 118.95 119.81 3gxd s ARG 353 Ca 0.26 -1.18 -0.29 0.00 -0.13 0.00 0.00 55.73 54.39 3gxd s ARG 353 Cb -0.16 -1.95 -0.04 0.00 -1.56 0.00 0.00 34.95 31.24 3gxd s ARG 353 CO 0.11 -1.02 1.73 -0.51 -0.81 0.00 0.00 175.30 174.80 3gxd s LEU 354 N 1.45 3.99 0.00 -0.88 1.43 -1.26 -3.01 118.68 120.40 3gxd s LEU 354 Ca 0.11 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 55.10 3gxd s LEU 354 Cb -0.18 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.51 3gxd s LEU 354 CO -0.21 -1.25 0.00 0.61 0.23 0.00 0.00 176.35 175.73 3gxd n GLY 355 N 4.66 0.62 3.62 -3.19 0.00 -1.26 -4.38 105.19 105.26 3gxd n GLY 355 Ca 0.20 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.85 6.77 0.12 1.61 0.15 -1.16 -0.06 113.70 118.28 3gxd s SER 356 Ca 0.00 0.79 -0.14 0.00 0.70 0.00 0.00 55.95 57.30 3gxd s SER 356 Cb 0.00 -2.48 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 3gxd s SER 356 CO 0.00 -0.79 1.50 -0.25 1.20 0.00 0.00 173.24 174.90 3gxd h TRP 357 N 8.21 0.87 -0.70 3.44 2.91 -1.92 -3.03 115.95 125.73 3gxd h TRP 357 Ca -0.22 -0.21 0.13 0.00 1.13 0.00 0.00 58.89 59.71 3gxd h TRP 357 Cb 1.08 -0.20 -0.13 0.00 -0.51 0.00 0.00 29.16 29.39 3gxd h TRP 357 CO 0.81 0.94 -0.29 0.22 -1.03 0.00 0.00 178.44 179.10 3gxd h ASP 358 N 0.55 -1.03 -0.13 2.65 3.58 -1.98 0.40 116.42 120.47 3gxd h ASP 358 Ca 0.08 0.24 -0.14 0.00 0.42 0.00 0.00 57.03 57.63 3gxd h ASP 358 Cb 0.70 0.56 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 3gxd h ASP 358 CO 0.05 -0.28 -0.42 0.03 -2.88 0.00 0.00 179.24 175.74 3gxd h ARG 359 N -0.08 0.67 -0.70 0.28 3.08 -1.96 0.11 114.38 115.77 3gxd h ARG 359 Ca 0.30 -0.35 0.15 0.00 0.07 0.00 0.00 59.98 60.14 3gxd h ARG 359 Cb 0.56 0.01 -0.12 0.00 0.08 0.00 0.00 29.97 30.50 3gxd h ARG 359 CO -0.76 0.96 -0.02 0.78 -1.07 0.00 0.00 179.97 179.86 3gxd h GLY 360 N 0.98 0.73 1.48 0.04 0.00 -1.08 -2.50 103.07 102.72 3gxd h GLY 360 Ca 0.04 0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.41 3gxd h GLY 360 CO 0.09 -0.26 -0.12 -0.33 0.00 0.00 0.00 176.54 175.92 3gxd h MET 361 N 0.09 0.62 -0.54 4.80 2.86 0.99 -2.75 114.93 121.01 3gxd h MET 361 Ca 0.37 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.71 3gxd h MET 361 Cb 0.63 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 3gxd h MET 361 CO -0.63 0.73 -0.10 1.96 1.06 0.00 0.00 176.91 179.94 3gxd h GLN 362 N 0.57 1.01 0.05 1.72 4.20 -1.13 0.50 115.11 122.03 3gxd h GLN 362 Ca 0.10 -0.37 0.03 0.00 0.06 0.00 0.00 58.65 58.47 3gxd h GLN 362 Cb 0.54 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 3gxd h GLN 362 CO 0.03 1.05 -0.28 1.88 -0.67 0.00 0.00 178.83 180.85 3gxd h TYR 363 N 0.88 -0.75 -0.09 2.96 -1.99 -1.17 -1.18 116.97 115.63 3gxd h TYR 363 Ca 0.14 0.02 -0.16 0.00 2.00 0.00 0.00 58.73 60.73 3gxd h TYR 363 Cb 0.66 0.32 0.01 0.00 2.00 0.00 0.00 36.73 39.72 3gxd h TYR 363 CO 0.05 -0.37 -0.58 0.66 -0.00 0.00 0.00 178.16 177.91 3gxd h SER 364 N -0.45 0.67 0.05 3.88 4.64 -1.28 0.76 113.55 121.83 3gxd h SER 364 Ca 0.05 -0.66 -0.01 0.00 -0.47 0.00 0.00 61.79 60.70 3gxd h SER 364 Cb 0.51 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3gxd h SER 364 CO -0.21 1.22 -0.03 -0.74 -0.87 0.00 0.00 176.83 176.20 3gxd h HIS 365 N 0.17 0.00 0.04 4.77 -0.00 -0.05 0.24 115.15 120.32 3gxd h HIS 365 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.32 3gxd h HIS 365 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.64 3gxd h HIS 365 CO 0.11 0.03 -0.02 1.03 -0.00 0.00 0.00 177.93 179.09 3gxd h SER 366 N 0.00 -0.05 -0.18 3.26 0.87 -0.92 -2.92 113.55 113.61 3gxd h SER 366 Ca -0.00 -0.52 -0.01 0.00 -1.23 0.00 0.00 61.79 60.03 3gxd h SER 366 Cb 0.07 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3gxd h SER 366 CO 0.00 0.51 0.09 0.40 -0.53 0.00 0.00 176.83 177.31 3gxd h ILE 367 N -0.63 1.09 -0.02 2.23 2.04 0.49 -0.70 117.51 122.02 3gxd h ILE 367 Ca -0.01 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 3gxd h ILE 367 Cb 0.56 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3gxd h ILE 367 CO 0.01 0.10 -0.14 0.40 0.00 0.00 0.00 178.15 178.52 3gxd h ILE 368 N 0.30 1.52 -0.54 -0.67 2.04 -1.10 -0.58 117.51 118.48 3gxd h ILE 368 Ca 0.08 -1.73 0.02 0.00 1.00 0.00 0.00 64.86 64.23 3gxd h ILE 368 Cb 0.06 2.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.71 3gxd h ILE 368 CO -0.01 0.47 0.33 0.74 0.00 0.00 0.00 178.15 179.68 3gxd h THR 369 N -0.51 1.06 -0.98 -0.27 2.02 -1.22 0.13 112.91 113.13 3gxd h THR 369 Ca -0.01 -0.22 0.16 0.00 0.77 0.00 0.00 66.41 67.10 3gxd h THR 369 Cb 0.84 0.35 -0.09 0.00 -1.74 0.00 0.00 68.15 67.51 3gxd h THR 369 CO 0.03 0.12 0.62 0.78 0.37 0.00 0.00 175.52 177.43 3gxd h ASN 370 N 0.65 0.81 -0.22 4.18 2.35 -0.98 -1.17 115.58 121.19 3gxd h ASN 370 Ca 0.22 0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.93 3gxd h ASN 370 Cb 0.02 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3gxd h ASN 370 CO -0.09 0.37 -0.21 -0.07 -1.65 0.00 0.00 177.43 175.78 3gxd h LEU 371 N 0.83 0.67 -1.35 1.61 3.38 0.55 -2.18 115.31 118.83 3gxd h LEU 371 Ca 0.52 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 3gxd h LEU 371 Cb 0.72 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3gxd h LEU 371 CO -0.30 0.88 -0.13 -0.07 0.09 0.00 0.00 178.44 178.91 3gxd h LEU 372 N 0.59 0.00 -4.23 1.67 3.38 0.41 -3.18 115.31 113.95 3gxd h LEU 372 Ca 0.09 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.48 3gxd h LEU 372 Cb 0.68 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.01 3gxd h LEU 372 CO 0.05 0.13 -0.67 -1.22 0.09 0.00 0.00 178.44 176.82 3gxd n TYR 373 N -3.31 3.15 -0.05 1.13 4.02 -0.90 -4.96 117.16 116.23 3gxd n TYR 373 Ca 0.00 -2.75 0.00 0.00 -0.01 0.00 0.00 57.90 55.14 3gxd n TYR 373 Cb 0.36 -0.25 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 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 -0.58 0.00 -1.82 -0.72 8.25 -1.19 -4.66 115.22 114.50 3gxd n HIS 374 Ca 0.42 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.47 3gxd n HIS 374 Cb 0.76 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.87 3gxd n HIS 374 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gxd s VAL 375 N -2.59 2.10 -1.26 1.59 1.01 -0.85 -4.49 120.40 115.91 3gxd s VAL 375 Ca 0.00 0.10 0.22 0.00 0.00 0.00 0.00 61.98 62.30 3gxd s VAL 375 Cb 0.00 -3.06 -0.11 0.00 0.00 0.00 0.00 36.38 33.21 3gxd s VAL 375 CO 0.00 0.02 1.07 1.33 0.00 0.00 0.00 175.10 177.52 3gxd n VAL 376 N 1.00 0.00 -3.48 2.92 0.24 0.86 -4.72 118.33 115.14 3gxd n VAL 376 Ca 0.03 -0.06 -0.10 0.00 -2.04 0.00 0.00 64.34 62.17 3gxd n VAL 376 Cb 0.39 0.88 -0.02 0.00 -1.47 0.00 0.00 33.84 33.62 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 -2.86 -0.53 -0.20 7.63 0.00 -1.25 0.27 107.32 110.37 3gxd s GLY 377 Ca 0.12 0.57 -0.06 0.00 0.00 0.00 0.00 44.72 45.34 3gxd s GLY 377 CO 0.76 0.19 0.42 0.86 0.00 0.00 0.00 173.10 175.32 3gxd s TRP 378 N -3.57 -0.81 -0.21 1.90 -0.00 0.16 -1.65 118.94 114.77 3gxd s TRP 378 Ca 0.03 1.46 0.02 0.00 -0.00 0.00 0.00 56.10 57.60 3gxd s TRP 378 Cb -0.01 0.28 0.03 0.00 -0.00 0.00 0.00 33.47 33.77 3gxd s TRP 378 CO -0.10 -0.51 -0.17 0.99 -0.00 0.00 0.00 176.95 177.16 3gxd s THR 379 N 2.61 2.12 0.60 5.86 2.01 0.67 -2.45 115.64 127.06 3gxd s THR 379 Ca -0.00 -1.15 -0.19 0.00 0.31 0.00 0.00 61.69 60.66 3gxd s THR 379 Cb -0.12 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 3gxd s THR 379 CO -0.13 0.36 1.23 -0.62 -0.69 0.00 0.00 174.62 174.77 3gxd s ASP 380 N 1.23 5.10 0.00 3.53 2.15 -0.41 -2.53 116.67 125.74 3gxd s ASP 380 Ca 0.01 2.46 0.00 0.00 0.43 0.00 0.00 52.55 55.45 3gxd s ASP 380 Cb -0.15 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 3gxd s ASP 380 CO -0.10 -1.66 0.00 1.87 -0.17 0.00 0.00 175.17 175.11 3gxd n TRP 381 N -1.59 0.00 -1.69 -5.34 -0.00 -1.00 -2.19 117.44 105.63 3gxd n TRP 381 Ca 0.14 0.00 -0.57 0.00 -0.00 0.00 0.00 57.50 57.07 3gxd n TRP 381 Cb 0.49 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.73 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 2.20 -0.35 5.87 3.02 -1.26 -1.18 115.26 123.56 3gxd n ASN 382 Ca 0.00 1.09 0.08 0.00 -0.03 0.00 0.00 54.58 55.71 3gxd n ASN 382 Cb 0.00 -1.13 0.26 0.00 -0.61 0.00 0.00 39.78 38.29 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 6.69 0.90 -7.55 3.41 3.38 -1.78 -3.41 115.31 116.95 3gxd h LEU 383 Ca -0.47 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.42 3gxd h LEU 383 Cb 1.32 -0.13 -0.21 0.00 0.09 0.00 0.00 40.66 41.73 3gxd h LEU 383 CO 0.93 0.47 -0.35 0.00 0.09 0.00 0.00 178.44 179.59 3gxd s ALA 384 N -5.93 -0.67 0.06 1.53 0.00 -1.26 -3.83 121.76 111.66 3gxd s ALA 384 Ca -0.12 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.16 3gxd s ALA 384 Cb 0.22 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 3gxd s ALA 384 CO 0.81 -0.22 -0.00 -0.51 0.00 0.00 0.00 175.76 175.83 3gxd s LEU 385 N -0.99 2.35 1.08 0.00 1.43 -0.90 -3.48 118.68 118.17 3gxd s LEU 385 Ca -0.11 -0.97 -0.18 0.00 -1.03 0.00 0.00 54.13 51.85 3gxd s LEU 385 Cb -0.05 0.30 0.24 0.00 0.03 0.00 0.00 46.19 46.71 3gxd s LEU 385 CO 0.03 -0.62 1.23 0.54 0.23 0.00 0.00 176.35 177.76 3gxd s ASN 386 N -2.92 2.05 0.44 2.29 2.20 0.20 -0.57 114.94 118.65 3gxd s ASN 386 Ca 0.07 0.40 0.31 0.00 -0.94 0.00 0.00 52.86 52.70 3gxd s ASN 386 Cb 0.08 -0.51 1.41 0.00 -2.00 0.00 0.00 41.25 40.23 3gxd s ASN 386 CO -0.10 -3.40 1.92 -0.65 -2.94 0.00 0.00 177.10 171.93 3gxd h PRO 387 N -2.10 0.00 -0.00 3.55 0.11 -1.89 -1.01 132.00 130.66 3gxd h PRO 387 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 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 0.35 0.00 -0.30 -1.91 -0.21 0.00 0.00 178.00 175.93 3gxd n GLU 388 N -2.68 0.34 -0.87 1.05 2.13 -1.26 -4.51 120.64 114.85 3gxd n GLU 388 Ca 0.00 -0.17 0.00 0.00 0.66 0.00 0.00 57.16 57.65 3gxd n GLU 388 Cb 0.19 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.41 3gxd n GLU 388 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gxd n GLY 389 N 1.42 0.59 0.00 8.31 0.00 -0.38 -4.70 105.19 110.42 3gxd n GLY 389 Ca 0.09 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.43 6.10 3.75 -0.02 0.00 -1.25 -4.47 105.19 106.86 3gxd n GLY 390 Ca 0.00 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 3gxd n GLY 390 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxd s PRO 391 N 1.34 4.66 -0.04 1.61 0.04 -1.26 -0.63 135.00 140.72 3gxd s PRO 391 Ca 0.00 1.72 0.06 0.00 0.04 0.00 0.00 61.00 62.81 3gxd s PRO 391 Cb 0.00 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 3gxd s PRO 391 CO 0.00 0.22 -0.22 1.21 0.04 0.00 0.00 177.00 178.25 3gxd s ASN 392 N -0.64 2.68 0.04 6.66 3.84 -1.26 -4.48 114.94 121.77 3gxd s ASN 392 Ca 0.46 -0.44 0.18 0.00 0.21 0.00 0.00 52.86 53.27 3gxd s ASN 392 Cb -0.30 -0.63 0.76 0.00 -0.55 0.00 0.00 41.25 40.52 3gxd s ASN 392 CO 0.37 0.22 1.57 -2.67 -2.79 0.00 0.00 177.10 173.80 3gxd n TRP 393 N 2.91 0.12 -0.17 0.43 4.27 -0.21 -3.99 117.44 120.81 3gxd n TRP 393 Ca -0.17 0.05 0.00 0.00 -3.89 0.00 0.00 57.50 53.48 3gxd n TRP 393 Cb 0.52 -0.57 0.00 0.00 -1.36 0.00 0.00 31.31 29.90 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 -1.61 0.00 -0.64 -1.67 3.14 -1.26 -5.02 118.33 111.27 3gxd n VAL 394 Ca 0.04 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 3gxd n VAL 394 Cb 0.21 1.17 0.00 0.00 -1.06 0.00 0.00 33.84 34.15 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 -0.35 0.00 -1.67 1.45 1.74 -1.26 -5.01 116.66 111.55 3gxd n ARG 395 Ca 0.00 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.62 3gxd n ARG 395 Cb 0.04 -1.80 -0.04 0.00 -1.02 0.00 0.00 32.46 29.64 3gxd n ARG 395 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3gxd n ASN 396 N 0.00 3.71 -4.26 0.55 2.85 -1.26 -4.96 115.26 111.88 3gxd n ASN 396 Ca 0.00 0.95 -0.34 0.00 -0.11 0.00 0.00 54.58 55.08 3gxd n ASN 396 Cb 0.00 -1.43 -0.15 0.00 1.24 0.00 0.00 39.78 39.45 3gxd n ASN 396 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3gxd s PHE 397 N 4.21 2.88 0.24 1.20 2.99 -1.26 -4.91 117.98 123.32 3gxd s PHE 397 Ca 0.91 -1.10 0.01 0.00 0.00 0.00 0.00 56.93 56.75 3gxd s PHE 397 Cb -0.60 -2.00 -0.04 0.00 0.00 0.00 0.00 43.02 40.37 3gxd s PHE 397 CO 0.48 -0.57 0.15 0.14 -0.00 0.00 0.00 175.22 175.42 3gxd s VAL 398 N 1.23 0.11 0.52 -0.44 -7.23 -1.26 -3.37 120.40 109.97 3gxd s VAL 398 Ca 0.03 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.29 3gxd s VAL 398 Cb -0.14 -2.52 0.06 0.00 0.56 0.00 0.00 36.38 34.34 3gxd s VAL 398 CO -0.05 0.00 0.69 -0.62 -0.31 0.00 0.00 175.10 174.82 3gxd s ASP 399 N -3.24 5.25 0.03 4.85 -1.08 -0.92 -4.22 116.67 117.34 3gxd s ASP 399 Ca 0.39 -0.73 -0.16 0.00 -0.52 0.00 0.00 52.55 51.53 3gxd s ASP 399 Cb 0.06 -0.02 0.03 0.00 -1.46 0.00 0.00 42.92 41.53 3gxd s ASP 399 CO 0.15 -1.13 0.35 -0.55 0.52 0.00 0.00 175.17 174.51 3gxd s SER 400 N -4.53 -0.20 0.49 -0.34 0.15 -1.26 -4.81 113.70 103.20 3gxd s SER 400 Ca 0.58 -0.05 0.21 0.00 0.70 0.00 0.00 55.95 57.39 3gxd s SER 400 Cb -0.07 0.37 1.25 0.00 -1.71 0.00 0.00 66.02 65.86 3gxd s SER 400 CO 0.36 -0.59 2.05 -0.65 1.20 0.00 0.00 173.24 175.61 3gxd h PRO 401 N 3.30 0.00 -4.77 5.44 0.11 -1.80 -3.40 132.00 130.88 3gxd h PRO 401 Ca -0.31 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.19 3gxd h PRO 401 Cb 1.19 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.95 3gxd h PRO 401 CO 0.44 0.14 -0.84 0.42 -0.21 0.00 0.00 178.00 177.95 3gxd s ILE 402 N -4.46 1.64 -0.23 4.15 1.01 -1.25 -0.20 121.20 121.86 3gxd s ILE 402 Ca -0.04 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 59.83 3gxd s ILE 402 Cb 0.15 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 3gxd s ILE 402 CO 0.64 0.47 0.10 -0.63 0.00 0.00 0.00 174.94 175.52 3gxd s ILE 403 N 1.26 4.81 -0.20 2.92 -1.09 -0.71 -2.11 121.20 126.08 3gxd s ILE 403 Ca 0.01 -0.01 -0.12 0.00 -2.23 0.00 0.00 60.65 58.29 3gxd s ILE 403 Cb -0.14 -3.22 -0.05 0.00 -1.58 0.00 0.00 42.46 37.47 3gxd s ILE 403 CO -0.07 0.37 0.21 -0.69 -1.23 0.00 0.00 174.94 173.53 3gxd s VAL 404 N 1.09 5.35 -0.71 2.92 1.01 0.27 -0.42 120.40 129.91 3gxd s VAL 404 Ca 0.05 0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 3gxd s VAL 404 Cb -0.14 -3.55 0.18 0.00 0.00 0.00 0.00 36.38 32.87 3gxd s VAL 404 CO 0.04 0.38 0.56 -0.62 0.00 0.00 0.00 175.10 175.46 3gxd s ASP 405 N 0.67 5.70 0.36 3.32 -1.08 -0.67 -4.17 116.67 120.81 3gxd s ASP 405 Ca 0.11 -2.91 0.08 0.00 -0.52 0.00 0.00 52.55 49.31 3gxd s ASP 405 Cb -0.13 -1.95 0.67 0.00 -1.46 0.00 0.00 42.92 40.05 3gxd s ASP 405 CO 0.02 -0.40 1.86 0.40 0.52 0.00 0.00 175.17 177.57 3gxd h ILE 406 N 5.01 1.21 0.00 4.11 2.04 -1.94 -0.68 117.51 127.26 3gxd h ILE 406 Ca 0.04 -0.95 -0.13 0.00 1.00 0.00 0.00 64.86 64.81 3gxd h ILE 406 Cb 0.96 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 3gxd h ILE 406 CO 0.74 0.30 -0.61 0.71 0.00 0.00 0.00 178.15 179.28 3gxd h THR 407 N 0.27 1.42 -0.64 -0.27 1.35 -1.93 -2.37 112.91 110.73 3gxd h THR 407 Ca 0.05 -2.12 0.00 0.00 -0.55 0.00 0.00 66.41 63.80 3gxd h THR 407 Cb 0.47 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 3gxd h THR 407 CO 0.03 0.60 0.00 0.29 -0.25 0.00 0.00 175.52 176.19 3gxd n LYS 408 N -3.78 2.58 -3.61 4.72 5.02 -0.33 -4.91 118.16 117.85 3gxd n LYS 408 Ca -0.01 -2.35 -0.24 0.00 -2.02 0.00 0.00 58.31 53.69 3gxd n LYS 408 Cb 0.62 -1.53 -0.04 0.00 -0.02 0.00 0.00 35.03 34.05 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 1.36 -1.44 -4.80 4.39 2.03 -0.79 -4.94 116.55 112.36 3gxd n ASP 409 Ca 0.22 -0.50 -0.26 0.00 0.52 0.00 0.00 54.79 54.77 3gxd n ASP 409 Cb 0.57 -1.31 -0.05 0.00 -0.72 0.00 0.00 41.12 39.61 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 -2.66 1.93 -0.06 5.18 -4.23 -1.07 -4.10 115.64 110.63 3gxd s THR 410 Ca 0.47 -1.66 -0.10 0.00 -1.18 0.00 0.00 61.69 59.22 3gxd s THR 410 Cb -0.28 -2.59 0.02 0.00 1.34 0.00 0.00 72.50 70.99 3gxd s THR 410 CO 0.58 0.00 0.24 0.72 -0.54 0.00 0.00 174.62 175.62 3gxd s PHE 411 N -2.69 -0.19 -0.22 3.99 -0.12 -0.65 -1.67 117.98 116.44 3gxd s PHE 411 Ca 0.33 0.42 -0.09 0.00 -0.05 0.00 0.00 56.93 57.54 3gxd s PHE 411 Cb 0.01 0.06 -0.05 0.00 -0.63 0.00 0.00 43.02 42.42 3gxd s PHE 411 CO 0.19 -0.21 0.12 0.71 -0.05 0.00 0.00 175.22 175.98 3gxd s TYR 412 N -0.48 3.30 -0.26 3.49 4.12 0.44 -0.32 117.35 127.64 3gxd s TYR 412 Ca -0.06 0.15 -0.22 0.00 0.02 0.00 0.00 57.07 56.96 3gxd s TYR 412 Cb -0.04 -2.19 -0.01 0.00 -1.52 0.00 0.00 41.96 38.20 3gxd s TYR 412 CO 0.01 0.10 0.71 0.15 0.02 0.00 0.00 175.55 176.55 3gxd s LYS 413 N 0.78 4.11 0.58 -0.62 1.02 0.11 -1.73 119.74 123.99 3gxd s LYS 413 Ca 0.06 0.67 -0.07 0.00 0.02 0.00 0.00 55.97 56.66 3gxd s LYS 413 Cb -0.13 -3.66 -0.00 0.00 -0.52 0.00 0.00 37.83 33.52 3gxd s LYS 413 CO 0.02 -0.48 0.90 -0.65 -0.92 0.00 0.00 175.35 174.22 3gxd s GLN 414 N 2.67 3.10 0.25 1.68 -1.52 0.72 -1.91 119.66 124.64 3gxd s GLN 414 Ca 0.30 0.13 -0.12 0.00 -1.95 0.00 0.00 55.36 53.72 3gxd s GLN 414 Cb -0.15 -2.26 0.35 0.00 -0.22 0.00 0.00 33.01 30.73 3gxd s GLN 414 CO 0.09 -0.61 1.58 -1.35 -0.25 0.00 0.00 175.29 174.74 3gxd h PRO 415 N -0.14 -0.01 -0.99 2.91 0.11 -1.80 -1.06 132.00 131.02 3gxd h PRO 415 Ca -0.46 0.00 0.28 0.00 0.11 0.00 0.00 66.00 65.94 3gxd h PRO 415 Cb 1.24 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.17 3gxd h PRO 415 CO 0.61 -0.01 0.08 0.52 -0.21 0.00 0.00 178.00 178.99 3gxd h MET 416 N -0.01 0.01 -0.89 1.05 2.86 -1.84 0.23 114.93 116.34 3gxd h MET 416 Ca 0.40 -0.00 0.13 0.00 -2.06 0.00 0.00 59.70 58.17 3gxd h MET 416 Cb 0.64 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.23 3gxd h MET 416 CO -0.91 0.01 0.57 0.35 1.06 0.00 0.00 176.91 177.99 3gxd h PHE 417 N 0.01 0.88 0.00 -0.22 3.57 -1.38 0.13 116.94 119.93 3gxd h PHE 417 Ca 0.62 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.97 3gxd h PHE 417 Cb 1.32 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 3gxd h PHE 417 CO -0.45 0.35 -1.02 1.88 -2.23 0.00 0.00 178.31 176.84 3gxd h TYR 418 N 0.76 0.00 -0.01 0.41 -1.99 -0.62 -1.65 116.97 113.88 3gxd h TYR 418 Ca 0.44 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.98 3gxd h TYR 418 Cb 0.61 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.33 3gxd h TYR 418 CO -0.00 0.75 -0.84 0.45 -0.00 0.00 0.00 178.16 178.52 3gxd h HIS 419 N 0.00 0.33 -0.41 4.88 3.86 -0.74 -2.67 115.15 120.39 3gxd h HIS 419 Ca -0.08 -0.17 0.04 0.00 -1.16 0.00 0.00 60.37 59.01 3gxd h HIS 419 Cb 1.64 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 30.03 3gxd h HIS 419 CO 0.00 0.96 0.16 -0.07 0.86 0.00 0.00 177.93 179.84 3gxd h LEU 420 N 0.13 0.20 -1.50 2.43 3.38 -1.02 -3.11 115.31 115.82 3gxd h LEU 420 Ca -0.04 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3gxd h LEU 420 Cb 1.45 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 3gxd h LEU 420 CO 0.13 0.15 -0.26 1.23 0.09 0.00 0.00 178.44 179.78 3gxd h GLY 421 N 0.34 0.00 2.00 0.83 0.00 -1.04 -1.54 103.07 103.66 3gxd h GLY 421 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 3gxd h GLY 421 CO -0.17 0.00 -0.09 0.45 0.00 0.00 0.00 176.54 176.73 3gxd h HIS 422 N 0.00 0.00 0.00 5.60 3.86 -1.40 -1.17 115.15 122.03 3gxd h HIS 422 Ca -0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 3gxd h HIS 422 Cb 0.49 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.96 3gxd h HIS 422 CO 0.00 0.09 -0.82 1.19 0.86 0.00 0.00 177.93 179.24 3gxd n PHE 423 N -3.81 0.48 -0.29 2.45 3.01 -0.67 -4.51 117.46 114.14 3gxd n PHE 423 Ca -0.02 0.21 0.11 0.00 1.01 0.00 0.00 57.45 58.76 3gxd n PHE 423 Cb 0.19 -0.67 0.26 0.00 -0.01 0.00 0.00 39.48 39.25 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 -1.00 0.07 0.59 4.37 4.64 -1.25 -1.54 113.55 119.43 3gxd h SER 424 Ca -0.04 0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.39 3gxd h SER 424 Cb 0.79 0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 3gxd h SER 424 CO -0.02 -0.09 -0.31 0.50 -0.87 0.00 0.00 176.83 176.04 3gxd h LYS 425 N 0.26 0.00 0.00 4.77 3.64 -0.66 -3.33 116.57 121.25 3gxd h LYS 425 Ca 0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 3gxd h LYS 425 Cb 0.98 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3gxd h LYS 425 CO -0.59 0.31 0.00 1.19 -2.27 0.00 0.00 179.45 178.09 3gxd n PHE 426 N -3.71 0.00 -3.59 1.91 0.99 -0.61 -4.78 117.46 107.67 3gxd n PHE 426 Ca -0.01 -0.37 -0.28 0.00 -0.00 0.00 0.00 57.45 56.79 3gxd n PHE 426 Cb 0.41 -0.04 -0.12 0.00 -1.00 0.00 0.00 39.48 38.74 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 -0.74 1.10 1.33 4.37 1.01 -1.05 -4.91 121.20 122.32 3gxd s ILE 427 Ca 0.00 -2.80 -0.19 0.00 0.00 0.00 0.00 60.65 57.65 3gxd s ILE 427 Cb 0.00 -1.76 0.34 0.00 0.01 0.00 0.00 42.46 41.05 3gxd s ILE 427 CO 0.00 -1.06 0.97 -2.16 0.00 0.00 0.00 174.94 172.69 3gxd s PRO 428 N -0.00 -2.19 0.11 2.79 0.04 -1.26 -4.85 135.00 129.63 3gxd s PRO 428 Ca 0.25 0.32 -0.31 0.00 0.04 0.00 0.00 61.00 61.30 3gxd s PRO 428 Cb -0.10 -1.45 -0.10 0.00 0.04 0.00 0.00 34.50 32.90 3gxd s PRO 428 CO -0.11 -4.43 1.76 -2.00 0.04 0.00 0.00 177.00 172.26 3gxd s GLU 429 N -4.91 4.16 0.00 4.56 2.12 -1.26 -2.97 118.70 120.39 3gxd s GLU 429 Ca 0.69 2.49 0.00 0.00 0.36 0.00 0.00 54.97 58.51 3gxd s GLU 429 Cb -0.17 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.65 3gxd s GLU 429 CO 0.60 -0.80 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 3gxd n GLY 430 N 4.13 2.20 3.41 -1.50 0.00 0.32 -4.88 105.19 108.87 3gxd n GLY 430 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 -1.40 -4.22 1.61 7.64 -1.16 -4.23 113.62 111.86 3gxd n SER 431 Ca 0.00 0.89 -0.32 0.00 1.01 0.00 0.00 58.87 60.44 3gxd n SER 431 Cb 0.00 -1.05 -0.17 0.00 -1.01 0.00 0.00 64.21 61.98 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 -1.43 3.07 0.38 1.43 0.74 -0.29 0.39 119.66 123.95 3gxd s GLN 432 Ca 0.62 -0.85 -0.25 0.00 0.05 0.00 0.00 55.36 54.93 3gxd s GLN 432 Cb -0.62 -2.38 -0.09 0.00 1.10 0.00 0.00 33.01 31.02 3gxd s GLN 432 CO 0.59 0.11 1.08 0.50 -0.55 0.00 0.00 175.29 177.02 3gxd s ARG 433 N 0.51 4.23 0.34 1.67 3.52 -0.69 -0.27 118.95 128.26 3gxd s ARG 433 Ca -0.14 1.62 0.05 0.00 -0.13 0.00 0.00 55.73 57.13 3gxd s ARG 433 Cb -0.17 -2.69 -0.03 0.00 -1.56 0.00 0.00 34.95 30.50 3gxd s ARG 433 CO 0.05 -0.10 0.22 0.14 -0.81 0.00 0.00 175.30 174.79 3gxd s VAL 434 N -1.52 0.18 0.65 7.11 -7.23 -0.68 -0.52 120.40 118.38 3gxd s VAL 434 Ca 0.55 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.62 3gxd s VAL 434 Cb -0.25 -2.46 -0.01 0.00 0.56 0.00 0.00 36.38 34.22 3gxd s VAL 434 CO 0.32 0.00 1.03 -0.83 -0.31 0.00 0.00 175.10 175.31 3gxd s GLY 435 N -3.42 1.63 -0.29 2.32 0.00 -1.22 -4.27 107.32 102.06 3gxd s GLY 435 Ca 0.36 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.80 3gxd s GLY 435 CO 0.22 0.03 0.69 -2.27 0.00 0.00 0.00 173.10 171.77 3gxd s LEU 436 N -5.21 -1.32 -0.17 0.66 2.96 -1.25 -1.70 118.68 112.64 3gxd s LEU 436 Ca 0.56 0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 54.75 3gxd s LEU 436 Cb -0.11 1.92 -0.05 0.00 0.50 0.00 0.00 46.19 48.46 3gxd s LEU 436 CO 0.52 -0.24 0.13 0.68 -1.32 0.00 0.00 176.35 176.11 3gxd s VAL 437 N 2.86 5.38 -0.05 1.68 -7.23 -0.93 -4.84 120.40 117.27 3gxd s VAL 437 Ca 0.14 0.17 -0.22 0.00 -1.81 0.00 0.00 61.98 60.27 3gxd s VAL 437 Cb -0.10 -3.41 -0.04 0.00 0.56 0.00 0.00 36.38 33.38 3gxd s VAL 437 CO -0.23 0.50 0.66 0.00 -0.31 0.00 0.00 175.10 175.72 3gxd s ALA 438 N -0.13 3.38 0.27 1.32 0.00 -1.26 -0.42 121.76 124.92 3gxd s ALA 438 Ca 0.10 0.08 0.17 0.00 0.00 0.00 0.00 51.96 52.32 3gxd s ALA 438 Cb -0.11 -2.88 0.93 0.00 0.00 0.00 0.00 23.12 21.06 3gxd s ALA 438 CO 0.00 -0.03 1.46 0.66 0.00 0.00 0.00 175.76 177.85 3gxd h SER 439 N 6.47 0.00 -4.73 0.00 4.64 0.13 -3.45 113.55 116.61 3gxd h SER 439 Ca -0.42 0.00 0.34 0.00 -0.47 0.00 0.00 61.79 61.24 3gxd h SER 439 Cb 1.20 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.11 3gxd h SER 439 CO 0.74 0.00 0.96 0.00 -0.87 0.00 0.00 176.83 177.66 3gxd s GLN 440 N -3.59 0.08 0.27 4.77 -2.07 -1.26 -4.95 119.66 112.91 3gxd s GLN 440 Ca -0.02 -0.04 -0.30 0.00 -1.82 0.00 0.00 55.36 53.18 3gxd s GLN 440 Cb 0.05 0.03 -0.13 0.00 -1.09 0.00 0.00 33.01 31.88 3gxd s GLN 440 CO 0.16 -0.04 1.46 1.17 -1.32 0.00 0.00 175.29 176.72 3gxd n LYS 441 N -0.19 2.28 -2.70 9.60 4.81 -1.26 -4.96 118.16 125.73 3gxd n LYS 441 Ca -0.00 0.81 -0.07 0.00 -0.87 0.00 0.00 58.31 58.18 3gxd n LYS 441 Cb 0.59 -2.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.13 3gxd n LYS 441 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 3gxd n ASN 442 N 1.94 -0.86 -0.05 3.14 0.23 -1.26 -5.07 115.26 113.33 3gxd n ASN 442 Ca 0.09 -1.94 -0.05 0.00 -0.53 0.00 0.00 54.58 52.15 3gxd n ASN 442 Cb 0.34 1.53 -0.06 0.00 -2.08 0.00 0.00 39.78 39.50 3gxd n ASN 442 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3gxd n ASP 443 N -1.68 2.90 -4.18 0.53 9.92 -1.26 -5.04 116.55 117.73 3gxd n ASP 443 Ca -0.01 -0.02 -0.53 0.00 -0.53 0.00 0.00 54.79 53.70 3gxd n ASP 443 Cb 0.31 0.45 -0.07 0.00 -0.64 0.00 0.00 41.12 41.17 3gxd n ASP 443 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3gxd n LEU 444 N -2.48 -0.21 -4.77 0.64 4.77 -1.26 -4.85 117.00 108.84 3gxd n LEU 444 Ca -0.16 1.08 -0.38 0.00 -0.03 0.00 0.00 56.01 56.52 3gxd n LEU 444 Cb 0.77 -0.86 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 3gxd n LEU 444 CO 0.17 -1.95 0.15 -1.81 -1.33 0.00 0.00 177.39 172.61 3gxd s ASP 445 N -0.16 6.75 0.19 -1.43 1.01 -1.06 -4.97 116.67 117.00 3gxd s ASP 445 Ca 0.81 0.90 -0.07 0.00 0.71 0.00 0.00 52.55 54.89 3gxd s ASP 445 Cb -1.13 -2.28 -0.02 0.00 1.01 0.00 0.00 42.92 40.51 3gxd s ASP 445 CO 0.53 0.15 0.27 0.00 0.21 0.00 0.00 175.17 176.33 3gxd s ALA 446 N -0.16 0.31 -0.13 5.23 0.00 -1.26 -1.53 121.76 124.21 3gxd s ALA 446 Ca 0.25 -1.13 -0.31 0.00 0.00 0.00 0.00 51.96 50.77 3gxd s ALA 446 Cb -0.16 1.02 0.13 0.00 0.00 0.00 0.00 23.12 24.11 3gxd s ALA 446 CO 0.12 -0.66 1.04 0.54 0.00 0.00 0.00 175.76 176.79 3gxd s VAL 447 N -4.03 0.00 -0.02 0.00 0.11 -0.79 -4.97 120.40 110.70 3gxd s VAL 447 Ca 0.24 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.25 3gxd s VAL 447 Cb 0.04 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 3gxd s VAL 447 CO 0.05 0.00 0.08 0.00 -3.33 0.00 0.00 175.10 171.90 3gxd s ALA 448 N -1.95 -0.19 0.25 1.54 0.00 -1.26 -1.07 121.76 119.07 3gxd s ALA 448 Ca 0.03 0.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.95 3gxd s ALA 448 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 3gxd s ALA 448 CO -0.04 -0.10 0.37 -0.51 0.00 0.00 0.00 175.76 175.48 3gxd s LEU 449 N -0.53 0.73 -0.07 0.00 1.02 -0.37 -1.69 118.68 117.77 3gxd s LEU 449 Ca -0.06 -1.19 0.01 0.00 0.02 0.00 0.00 54.13 52.91 3gxd s LEU 449 Cb -0.04 1.26 0.02 0.00 0.02 0.00 0.00 46.19 47.46 3gxd s LEU 449 CO 0.00 -1.08 -0.07 -0.32 0.02 0.00 0.00 176.35 174.91 3gxd s MET 450 N -3.88 1.17 0.93 1.70 1.75 0.62 -1.91 119.30 119.68 3gxd s MET 450 Ca 0.29 -0.19 -0.11 0.00 -1.25 0.00 0.00 55.69 54.43 3gxd s MET 450 Cb 0.02 -1.15 0.15 0.00 2.84 0.00 0.00 34.83 36.69 3gxd s MET 450 CO 0.12 -0.11 1.11 -1.01 -0.65 0.00 0.00 175.02 174.48 3gxd s HIS 451 N 1.11 1.81 0.48 4.11 3.76 0.11 -1.14 115.29 125.54 3gxd s HIS 451 Ca -0.07 1.60 0.22 0.00 -0.15 0.00 0.00 55.06 56.65 3gxd s HIS 451 Cb -0.14 -3.23 1.34 0.00 1.11 0.00 0.00 32.58 31.66 3gxd s HIS 451 CO -0.01 -2.76 2.09 -1.35 -0.85 0.00 0.00 174.74 171.86 3gxd h PRO 452 N -1.83 0.00 0.00 8.40 0.11 -1.88 -1.61 132.00 135.18 3gxd h PRO 452 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gxd h PRO 452 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3gxd h PRO 452 CO 0.46 0.10 -0.15 -0.40 -0.21 0.00 0.00 178.00 177.80 3gxd n ASP 453 N -4.06 0.23 0.00 -2.05 5.75 -1.26 -4.92 116.55 110.24 3gxd n ASP 453 Ca -0.02 0.31 0.00 0.00 -0.01 0.00 0.00 54.79 55.06 3gxd n ASP 453 Cb 0.19 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 3gxd n ASP 453 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gxd n GLY 454 N 1.47 0.76 3.76 6.12 0.00 -0.61 -5.09 105.19 111.61 3gxd n GLY 454 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.10 3.44 0.08 1.61 1.04 -1.26 -4.61 113.70 112.90 3gxd s SER 455 Ca 0.00 1.09 0.08 0.00 0.48 0.00 0.00 55.95 57.59 3gxd s SER 455 Cb 0.00 -1.71 -0.04 0.00 0.10 0.00 0.00 66.02 64.37 3gxd s SER 455 CO 0.00 -2.61 -0.15 0.00 0.98 0.00 0.00 173.24 171.46 3gxd s ALA 456 N -3.17 2.75 0.02 5.32 0.00 -0.03 0.04 121.76 126.68 3gxd s ALA 456 Ca 0.64 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 51.37 3gxd s ALA 456 Cb -0.16 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 3gxd s ALA 456 CO 0.55 0.60 -0.08 0.54 0.00 0.00 0.00 175.76 177.36 3gxd s VAL 457 N -1.09 0.64 0.03 0.00 0.11 -0.81 -1.84 120.40 117.45 3gxd s VAL 457 Ca 0.18 -0.71 0.03 0.00 -2.93 0.00 0.00 61.98 58.54 3gxd s VAL 457 Cb -0.11 -0.61 -0.02 0.00 -1.53 0.00 0.00 36.38 34.12 3gxd s VAL 457 CO 0.09 -0.08 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.01 3gxd s VAL 458 N -0.73 0.67 -0.02 2.04 1.01 -0.55 -1.24 120.40 121.59 3gxd s VAL 458 Ca -0.02 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.22 3gxd s VAL 458 Cb -0.06 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 3gxd s VAL 458 CO 0.00 -0.12 -0.21 -0.69 0.00 0.00 0.00 175.10 174.09 3gxd s VAL 459 N -0.85 1.63 -0.05 2.92 1.01 -0.23 -0.52 120.40 124.31 3gxd s VAL 459 Ca -0.03 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3gxd s VAL 459 Cb -0.07 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.98 3gxd s VAL 459 CO 0.00 0.46 -0.03 -0.69 0.00 0.00 0.00 175.10 174.85 3gxd s VAL 460 N -0.47 0.44 -0.04 2.92 1.01 -0.49 -1.88 120.40 121.90 3gxd s VAL 460 Ca 0.07 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.08 3gxd s VAL 460 Cb -0.08 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 3gxd s VAL 460 CO -0.01 0.22 -0.21 -0.22 0.00 0.00 0.00 175.10 174.88 3gxd s LEU 461 N 1.20 2.33 -0.24 3.92 2.96 -0.58 -0.36 118.68 127.90 3gxd s LEU 461 Ca -0.07 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 3gxd s LEU 461 Cb -0.14 -1.43 0.06 0.00 0.50 0.00 0.00 46.19 45.18 3gxd s LEU 461 CO -0.02 0.32 -0.09 0.21 -1.32 0.00 0.00 176.35 175.45 3gxd s ASN 462 N -0.59 4.06 -0.18 3.68 3.84 -0.02 -2.55 114.94 123.18 3gxd s ASN 462 Ca 0.09 -1.24 0.16 0.00 0.21 0.00 0.00 52.86 52.08 3gxd s ASN 462 Cb -0.11 -1.37 0.74 0.00 -0.55 0.00 0.00 41.25 39.97 3gxd s ASN 462 CO 0.00 -0.20 1.66 0.54 -2.79 0.00 0.00 177.10 176.31 3gxd n ARG 463 N 4.56 4.20 -3.28 0.43 1.74 -1.26 -1.58 116.66 121.46 3gxd n ARG 463 Ca -0.13 -3.00 -0.19 0.00 -0.77 0.00 0.00 57.85 53.76 3gxd n ARG 463 Cb 0.43 -2.05 -0.01 0.00 -1.02 0.00 0.00 32.46 29.81 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 -0.97 5.54 0.18 0.55 1.04 -1.26 -4.85 113.70 113.94 3gxd s SER 464 Ca 0.51 -0.46 -0.08 0.00 0.48 0.00 0.00 55.95 56.40 3gxd s SER 464 Cb 0.37 -0.77 0.06 0.00 0.10 0.00 0.00 66.02 65.78 3gxd s SER 464 CO 0.19 -0.64 1.56 0.77 0.98 0.00 0.00 173.24 176.09 3gxd h SER 465 N 0.82 0.93 -3.96 7.02 4.64 -1.92 -1.38 113.55 119.71 3gxd h SER 465 Ca -0.42 -0.37 -0.54 0.00 -0.47 0.00 0.00 61.79 60.00 3gxd h SER 465 Cb 1.27 -0.26 0.10 0.00 -0.31 0.00 0.00 62.40 63.21 3gxd h SER 465 CO 0.50 1.14 0.70 -0.54 -0.87 0.00 0.00 176.83 177.76 3gxd s LYS 466 N -4.56 3.94 0.32 4.77 3.01 -1.26 -3.73 119.74 122.23 3gxd s LYS 466 Ca -0.10 2.39 -0.28 0.00 -1.01 0.00 0.00 55.97 56.97 3gxd s LYS 466 Cb 0.12 -2.81 -0.09 0.00 -1.01 0.00 0.00 37.83 34.04 3gxd s LYS 466 CO 0.86 -0.60 1.09 -0.51 0.51 0.00 0.00 175.35 176.71 3gxd s ASP 467 N -0.45 7.07 -0.22 2.83 1.01 -1.26 -3.26 116.67 122.40 3gxd s ASP 467 Ca 0.56 2.22 0.02 0.00 0.71 0.00 0.00 52.55 56.06 3gxd s ASP 467 Cb -0.43 -2.62 0.04 0.00 1.01 0.00 0.00 42.92 40.93 3gxd s ASP 467 CO 0.56 -0.28 -0.13 -0.69 0.21 0.00 0.00 175.17 174.84 3gxd s VAL 468 N -1.31 1.94 0.31 -1.27 1.01 -0.49 -4.92 120.40 115.67 3gxd s VAL 468 Ca 0.49 -1.21 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 3gxd s VAL 468 Cb -0.29 -1.95 -0.10 0.00 0.00 0.00 0.00 36.38 34.03 3gxd s VAL 468 CO 0.38 0.20 1.21 -2.84 0.00 0.00 0.00 175.10 174.05 3gxd s PRO 469 N 1.26 4.48 0.20 2.72 0.02 -1.26 -0.78 135.00 141.64 3gxd s PRO 469 Ca -0.02 2.02 -0.19 0.00 0.02 0.00 0.00 61.00 62.82 3gxd s PRO 469 Cb -0.17 -3.12 0.04 0.00 0.02 0.00 0.00 34.50 31.27 3gxd s PRO 469 CO -0.08 -0.00 0.57 -0.48 -0.33 0.00 0.00 177.00 176.67 3gxd s LEU 470 N -1.64 -0.12 -0.02 -5.54 2.34 -0.44 -3.85 118.68 109.41 3gxd s LEU 470 Ca 0.47 -0.37 0.07 0.00 0.06 0.00 0.00 54.13 54.36 3gxd s LEU 470 Cb -0.36 2.33 -0.02 0.00 -0.56 0.00 0.00 46.19 47.58 3gxd s LEU 470 CO 0.47 -1.07 -0.23 -0.89 -1.06 0.00 0.00 176.35 173.58 3gxd s THR 471 N -3.85 2.34 -0.15 5.48 2.01 -0.52 -1.50 115.64 119.45 3gxd s THR 471 Ca 0.07 -1.05 -0.05 0.00 0.31 0.00 0.00 61.69 60.97 3gxd s THR 471 Cb -0.02 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 3gxd s THR 471 CO -0.04 0.55 0.00 -0.63 -0.69 0.00 0.00 174.62 173.81 3gxd s ILE 472 N -0.68 4.28 -0.17 1.82 1.01 -0.01 -2.12 121.20 125.34 3gxd s ILE 472 Ca 0.11 -0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 3gxd s ILE 472 Cb -0.10 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 3gxd s ILE 472 CO 0.00 0.50 0.08 -0.75 0.00 0.00 0.00 174.94 174.77 3gxd s LYS 473 N 0.17 3.89 -0.20 2.79 2.20 0.21 -0.66 119.74 128.13 3gxd s LYS 473 Ca 0.01 -0.30 0.02 0.00 -0.36 0.00 0.00 55.97 55.33 3gxd s LYS 473 Cb -0.13 -3.22 0.03 0.00 -1.51 0.00 0.00 37.83 33.00 3gxd s LYS 473 CO 0.02 0.36 -0.17 0.34 -0.36 0.00 0.00 175.35 175.54 3gxd s ASP 474 N 0.13 3.53 0.07 1.43 -1.08 -0.56 -0.03 116.67 120.16 3gxd s ASP 474 Ca 0.06 -0.88 -0.17 0.00 -0.52 0.00 0.00 52.55 51.04 3gxd s ASP 474 Cb -0.12 -1.50 -0.05 0.00 -1.46 0.00 0.00 42.92 39.79 3gxd s ASP 474 CO 0.00 -0.06 1.28 -0.65 0.52 0.00 0.00 175.17 176.27 3gxd h PRO 475 N 7.89 -0.13 -0.23 4.34 0.11 -1.82 0.60 132.00 142.76 3gxd h PRO 475 Ca -0.37 0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.81 3gxd h PRO 475 Cb 1.11 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3gxd h PRO 475 CO 0.58 -0.09 0.71 0.00 -0.21 0.00 0.00 178.00 178.99 3gxd h ALA 476 N -0.51 1.94 0.00 -0.75 0.00 -1.96 -3.32 119.26 114.67 3gxd h ALA 476 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gxd h ALA 476 Cb 0.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3gxd h ALA 476 CO -0.37 -0.83 -0.19 0.28 0.00 0.00 0.00 179.25 178.14 3gxd n VAL 477 N -2.95 0.00 0.00 0.00 0.31 -0.80 -5.03 118.33 109.86 3gxd n VAL 477 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3gxd n VAL 477 Cb 0.80 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 3gxd n VAL 477 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gxd n GLY 478 N 1.33 0.62 3.41 2.92 0.00 0.20 -4.85 105.19 108.82 3gxd n GLY 478 Ca 0.00 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.20 2.46 -0.22 1.61 0.40 0.41 -1.50 117.98 117.94 3gxd s PHE 479 Ca 0.00 -0.32 -0.02 0.00 -0.60 0.00 0.00 56.93 55.99 3gxd s PHE 479 Cb 0.00 -1.43 0.01 0.00 0.51 0.00 0.00 43.02 42.11 3gxd s PHE 479 CO 0.00 0.21 -0.09 -0.51 0.70 0.00 0.00 175.22 175.54 3gxd s LEU 480 N -1.40 2.83 -0.13 -0.37 1.43 0.16 -1.39 118.68 119.82 3gxd s LEU 480 Ca 0.14 -0.63 -0.06 0.00 -1.03 0.00 0.00 54.13 52.55 3gxd s LEU 480 Cb -0.10 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 3gxd s LEU 480 CO 0.04 -0.05 0.07 -1.61 0.23 0.00 0.00 176.35 175.03 3gxd s GLU 481 N 1.38 3.47 0.12 1.70 2.02 -1.26 -0.83 118.70 125.30 3gxd s GLU 481 Ca 0.04 -0.28 -0.26 0.00 0.02 0.00 0.00 54.97 54.48 3gxd s GLU 481 Cb -0.15 -3.07 0.08 0.00 0.10 0.00 0.00 34.13 31.09 3gxd s GLU 481 CO -0.06 0.60 1.05 -0.08 0.02 0.00 0.00 175.26 176.79 3gxd s THR 482 N -0.55 0.00 0.32 3.63 -1.32 -0.56 -5.00 115.64 112.16 3gxd s THR 482 Ca 0.11 -0.55 0.10 0.00 -1.21 0.00 0.00 61.69 60.14 3gxd s THR 482 Cb -0.12 -2.13 -0.06 0.00 -1.51 0.00 0.00 72.50 68.68 3gxd s THR 482 CO 0.02 0.00 -0.12 -0.63 -2.21 0.00 0.00 174.62 171.68 3gxd s ILE 483 N -2.93 2.44 -0.38 5.08 1.01 -1.26 -1.32 121.20 123.84 3gxd s ILE 483 Ca 0.14 -2.24 0.03 0.00 0.00 0.00 0.00 60.65 58.58 3gxd s ILE 483 Cb -0.00 -2.54 0.11 0.00 0.01 0.00 0.00 42.46 40.04 3gxd s ILE 483 CO 0.01 -0.29 0.11 -0.55 0.00 0.00 0.00 174.94 174.23 3gxd s SER 484 N -3.59 4.48 0.55 3.58 0.15 0.04 -4.89 113.70 114.03 3gxd s SER 484 Ca 0.32 -2.26 -0.22 0.00 0.70 0.00 0.00 55.95 54.49 3gxd s SER 484 Cb -0.01 -1.46 -0.05 0.00 -1.71 0.00 0.00 66.02 62.79 3gxd s SER 484 CO 0.16 -0.35 1.37 -2.84 1.20 0.00 0.00 173.24 172.78 3gxd s PRO 485 N 0.76 3.10 0.59 5.44 0.02 -1.26 -1.39 135.00 142.26 3gxd s PRO 485 Ca 0.12 2.25 -0.20 0.00 0.02 0.00 0.00 61.00 63.20 3gxd s PRO 485 Cb -0.20 -2.24 -0.03 0.00 0.02 0.00 0.00 34.50 32.04 3gxd s PRO 485 CO -0.09 -1.23 1.30 0.20 -0.33 0.00 0.00 177.00 176.86 3gxd s GLY 486 N -0.94 2.85 -1.06 0.52 0.00 -1.20 -2.51 107.32 104.97 3gxd s GLY 486 Ca 0.72 1.22 -0.18 0.00 0.00 0.00 0.00 44.72 46.49 3gxd s GLY 486 CO 0.48 1.68 0.75 -1.72 0.00 0.00 0.00 173.10 174.29 3gxd n TYR 487 N -1.46 -1.98 -4.08 1.90 0.53 -0.52 -4.80 117.16 106.76 3gxd n TYR 487 Ca 0.13 0.53 -0.09 0.00 -1.02 0.00 0.00 57.90 57.45 3gxd n TYR 487 Cb 0.47 -3.34 -0.09 0.00 -1.03 0.00 0.00 39.34 35.35 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 -3.36 0.25 -0.04 7.72 1.04 -1.05 -2.50 113.70 115.76 3gxd s SER 488 Ca 0.37 -1.06 -0.01 0.00 0.48 0.00 0.00 55.95 55.72 3gxd s SER 488 Cb -0.14 0.32 0.03 0.00 0.10 0.00 0.00 66.02 66.33 3gxd s SER 488 CO 0.87 -0.76 0.04 -0.51 0.98 0.00 0.00 173.24 173.86 3gxd s ILE 489 N -4.00 0.05 0.14 -1.02 2.07 -0.62 -0.84 121.20 116.98 3gxd s ILE 489 Ca 0.19 0.29 0.06 0.00 -1.41 0.00 0.00 60.65 59.78 3gxd s ILE 489 Cb 0.06 -0.26 -0.04 0.00 0.13 0.00 0.00 42.46 42.36 3gxd s ILE 489 CO -0.01 0.19 0.01 -1.00 -1.91 0.00 0.00 174.94 172.22 3gxd s HIS 490 N 1.88 2.94 -0.07 3.50 3.76 0.51 -2.14 115.29 125.68 3gxd s HIS 490 Ca 0.02 -0.08 0.04 0.00 -0.15 0.00 0.00 55.06 54.89 3gxd s HIS 490 Cb -0.12 -1.46 0.00 0.00 1.11 0.00 0.00 32.58 32.11 3gxd s HIS 490 CO -0.03 0.50 -0.19 0.99 -0.85 0.00 0.00 174.74 175.16 3gxd s THR 491 N -1.54 1.60 -0.07 1.30 2.01 -0.46 -1.39 115.64 117.10 3gxd s THR 491 Ca 0.27 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.50 3gxd s THR 491 Cb -0.10 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 3gxd s THR 491 CO 0.19 0.46 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.17 3gxd s TYR 492 N 0.26 2.86 -0.04 4.92 1.51 0.32 -1.46 117.35 125.73 3gxd s TYR 492 Ca -0.11 -0.06 0.02 0.00 -1.01 0.00 0.00 57.07 55.91 3gxd s TYR 492 Cb -0.15 -1.70 0.01 0.00 -0.11 0.00 0.00 41.96 40.02 3gxd s TYR 492 CO 0.05 0.26 -0.09 -0.51 -1.11 0.00 0.00 175.55 174.15 3gxd s LEU 493 N -0.72 1.68 -0.10 -1.29 1.43 -0.40 -1.48 118.68 117.81 3gxd s LEU 493 Ca 0.11 -0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 52.91 3gxd s LEU 493 Cb -0.11 -0.59 0.03 0.00 0.03 0.00 0.00 46.19 45.55 3gxd s LEU 493 CO 0.01 0.04 0.27 -1.66 0.23 0.00 0.00 176.35 175.24 3gxd s TRP 494 N 0.40 -0.29 0.60 0.29 -2.14 -0.77 -1.03 118.94 116.01 3gxd s TRP 494 Ca -0.07 0.70 -0.19 0.00 2.66 0.00 0.00 56.10 59.20 3gxd s TRP 494 Cb -0.11 0.10 -0.03 0.00 -3.10 0.00 0.00 33.47 30.33 3gxd s TRP 494 CO 0.01 -0.16 1.22 -1.01 -2.66 0.00 0.00 176.95 174.35 3gxd s HIS 495 N 0.05 2.35 -0.01 1.66 3.76 -1.26 -0.86 115.29 120.99 3gxd s HIS 495 Ca -0.01 1.51 0.05 0.00 -0.15 0.00 0.00 55.06 56.46 3gxd s HIS 495 Cb -0.02 -3.50 -0.07 0.00 1.11 0.00 0.00 32.58 30.09 3gxd s HIS 495 CO 0.01 -2.29 0.09 0.54 -0.85 0.00 0.00 174.74 172.24 3gxd n ARG 496 N -1.63 0.45 0.00 1.40 1.74 -1.26 -4.82 116.66 112.54 3gxd n ARG 496 Ca 0.14 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 3gxd n ARG 496 Cb 0.49 -1.11 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 3gxd n ARG 496 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11