#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxd s ARG 2 N 0.00 2.73 0.34 0.00 0.52 -1.23 -4.98 118.95 116.33 3gxd s ARG 2 Ca 0.00 -0.76 -0.06 0.00 -0.52 0.00 0.00 55.73 54.39 3gxd s ARG 2 Cb 0.00 -2.37 0.08 0.00 0.52 0.00 0.00 34.95 33.18 3gxd s ARG 2 CO 0.00 0.45 0.43 -0.35 0.02 0.00 0.00 175.30 175.84 3gxd n PRO 3 N 2.81 -0.65 -3.60 3.54 -0.04 -1.26 -1.16 135.00 134.64 3gxd n PRO 3 Ca -0.17 -0.66 -0.36 0.00 -0.04 0.00 0.00 63.50 62.26 3gxd n PRO 3 Cb 0.52 -0.47 -0.07 0.00 -0.04 0.00 0.00 33.50 33.44 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 0.33 4.77 0.16 0.00 1.01 -1.26 -5.00 121.20 121.21 3gxd s ILE 5 Ca 0.14 -0.24 -0.26 0.00 0.00 0.00 0.00 60.65 60.29 3gxd s ILE 5 Cb -0.12 -4.33 -0.08 0.00 0.01 0.00 0.00 42.46 37.94 3gxd s ILE 5 CO 0.03 -0.83 0.82 -2.16 0.00 0.00 0.00 174.94 172.79 3gxd s PRO 6 N 2.92 4.62 -0.03 2.79 0.04 -1.26 -0.29 135.00 143.80 3gxd s PRO 6 Ca 0.19 1.23 0.01 0.00 0.04 0.00 0.00 61.00 62.48 3gxd s PRO 6 Cb -0.17 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 31.10 3gxd s PRO 6 CO 0.15 0.51 -0.05 0.21 0.04 0.00 0.00 177.00 177.86 3gxd s LYS 7 N -0.96 0.61 -0.10 4.56 2.20 -0.85 -4.92 119.74 120.28 3gxd s LYS 7 Ca 0.38 -0.13 -0.09 0.00 -0.36 0.00 0.00 55.97 55.77 3gxd s LYS 7 Cb -0.23 -0.63 -0.04 0.00 -1.51 0.00 0.00 37.83 35.41 3gxd s LYS 7 CO 0.27 0.00 0.20 0.45 -0.36 0.00 0.00 175.35 175.91 3gxd s SER 8 N 0.48 6.46 -0.24 1.43 0.15 -1.26 -0.56 113.70 120.16 3gxd s SER 8 Ca -0.06 0.55 0.10 0.00 0.70 0.00 0.00 55.95 57.25 3gxd s SER 8 Cb -0.09 -2.11 0.44 0.00 -1.71 0.00 0.00 66.02 62.54 3gxd s SER 8 CO -0.00 0.37 1.26 0.49 1.20 0.00 0.00 173.24 176.56 3gxd n PHE 9 N 2.10 0.62 -1.44 3.44 3.01 -1.26 -4.94 117.46 119.00 3gxd n PHE 9 Ca -0.18 -1.64 -0.05 0.00 1.01 0.00 0.00 57.45 56.58 3gxd n PHE 9 Cb 0.54 -0.31 -0.02 0.00 -0.01 0.00 0.00 39.48 39.68 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 -1.06 0.61 3.79 1.37 0.00 -1.26 -4.95 105.19 103.69 3gxd n GLY 10 Ca 0.25 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 3gxd n GLY 10 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gxd s TYR 11 N -2.22 2.22 -1.09 1.61 1.51 -1.26 -5.01 117.35 113.10 3gxd s TYR 11 Ca 0.00 -0.72 0.00 0.00 -1.01 0.00 0.00 57.07 55.34 3gxd s TYR 11 Cb 0.00 -1.90 0.00 0.00 -0.11 0.00 0.00 41.96 39.95 3gxd s TYR 11 CO 0.00 0.00 0.88 -1.13 -1.11 0.00 0.00 175.55 174.19 3gxd n SER 12 N -1.40 0.00 -2.64 2.29 3.41 -1.26 -4.70 113.62 109.33 3gxd n SER 12 Ca -0.04 0.39 -0.10 0.00 -0.26 0.00 0.00 58.87 58.86 3gxd n SER 12 Cb 0.65 -0.39 0.01 0.00 -0.26 0.00 0.00 64.21 64.22 3gxd n SER 12 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3gxd n SER 13 N -1.38 -1.76 -4.94 4.04 2.88 -0.01 -4.78 113.62 107.67 3gxd n SER 13 Ca 0.00 -2.50 -0.27 0.00 -1.33 0.00 0.00 58.87 54.78 3gxd n SER 13 Cb 0.03 3.01 -0.03 0.00 -0.75 0.00 0.00 64.21 66.47 3gxd n SER 13 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3gxd s VAL 14 N -2.40 5.32 0.63 2.46 -7.23 -1.24 -4.46 120.40 113.47 3gxd s VAL 14 Ca 0.18 -0.63 -0.01 0.00 -1.81 0.00 0.00 61.98 59.71 3gxd s VAL 14 Cb -0.03 -3.73 0.07 0.00 0.56 0.00 0.00 36.38 33.24 3gxd s VAL 14 CO 0.13 -0.08 0.88 0.68 -0.31 0.00 0.00 175.10 176.40 3gxd s VAL 15 N -1.74 2.44 -0.18 1.32 -7.23 0.28 -4.43 120.40 110.86 3gxd s VAL 15 Ca 0.35 -0.57 -0.03 0.00 -1.81 0.00 0.00 61.98 59.92 3gxd s VAL 15 Cb -0.11 -2.86 -0.02 0.00 0.56 0.00 0.00 36.38 33.95 3gxd s VAL 15 CO 0.28 0.00 -0.07 0.00 -0.31 0.00 0.00 175.10 175.01 3gxd s VAL 17 N 0.85 4.95 0.01 0.00 1.01 0.60 -1.56 120.40 126.26 3gxd s VAL 17 Ca -0.02 1.29 0.01 0.00 0.00 0.00 0.00 61.98 63.26 3gxd s VAL 17 Cb -0.15 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 3gxd s VAL 17 CO 0.01 0.37 -0.03 0.00 0.00 0.00 0.00 175.10 175.45 3gxd n ASN 19 N 2.25 0.00 0.14 0.00 0.23 -0.79 -1.05 115.26 116.04 3gxd n ASN 19 Ca -0.18 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.00 3gxd n ASN 19 Cb 0.57 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.73 3gxd n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gxd h ALA 20 N 1.21 1.00 0.00 -2.53 0.00 -1.91 -3.37 119.26 113.66 3gxd h ALA 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gxd h ALA 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gxd h ALA 20 CO 0.00 0.00 -0.67 0.25 0.00 0.00 0.00 179.25 178.83 3gxd n THR 21 N -2.40 0.00 -4.41 0.00 -2.24 -1.26 -4.21 114.28 99.75 3gxd n THR 21 Ca 0.03 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.51 3gxd n THR 21 Cb 0.33 -0.65 -0.11 0.00 -2.10 0.00 0.00 70.33 67.80 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 -1.67 2.66 -0.27 4.78 5.04 -1.26 -5.14 117.35 121.50 3gxd s TYR 22 Ca 0.00 -0.19 -0.25 0.00 -2.44 0.00 0.00 57.07 54.18 3gxd s TYR 22 Cb 0.00 -1.45 0.10 0.00 0.35 0.00 0.00 41.96 40.96 3gxd s TYR 22 CO 0.00 0.36 0.89 0.00 -1.34 0.00 0.00 175.55 175.45 3gxd s ASP 24 N 0.24 6.56 0.36 0.00 -4.77 -1.26 -4.79 116.67 113.01 3gxd s ASP 24 Ca 0.01 2.72 -0.06 0.00 -3.30 0.00 0.00 52.55 51.93 3gxd s ASP 24 Cb -0.05 -2.62 0.02 0.00 -1.09 0.00 0.00 42.92 39.19 3gxd s ASP 24 CO -0.03 -0.80 0.57 -1.54 0.70 0.00 0.00 175.17 174.08 3gxd n SER 25 N 2.89 -1.62 -4.54 2.11 3.41 -0.31 -4.98 113.62 110.58 3gxd n SER 25 Ca 0.10 -2.78 -0.26 0.00 -0.26 0.00 0.00 58.87 55.67 3gxd n SER 25 Cb 0.39 2.88 -0.10 0.00 -0.26 0.00 0.00 64.21 67.13 3gxd n SER 25 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3gxd s PHE 26 N -2.77 2.54 0.53 7.33 0.40 -0.68 -3.47 117.98 121.86 3gxd s PHE 26 Ca 0.25 -0.26 -0.19 0.00 -0.60 0.00 0.00 56.93 56.13 3gxd s PHE 26 Cb -0.02 -1.23 -0.07 0.00 0.51 0.00 0.00 43.02 42.22 3gxd s PHE 26 CO 0.18 0.53 1.06 -0.51 0.70 0.00 0.00 175.22 177.18 3gxd s ASP 27 N -2.92 6.06 -0.35 1.36 1.01 -1.26 -4.26 116.67 116.32 3gxd s ASP 27 Ca 0.25 1.95 -0.39 0.00 0.71 0.00 0.00 52.55 55.07 3gxd s ASP 27 Cb -0.08 -2.56 -0.17 0.00 1.01 0.00 0.00 42.92 41.12 3gxd s ASP 27 CO 0.14 -0.98 1.27 -2.65 0.21 0.00 0.00 175.17 173.17 3gxd n PRO 28 N -1.31 0.00 -1.56 8.23 -0.02 -1.26 -4.84 135.00 134.24 3gxd n PRO 28 Ca 0.10 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.25 3gxd n PRO 28 Cb 0.52 -1.27 0.07 0.00 -0.02 0.00 0.00 33.50 32.80 3gxd n PRO 28 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3gxd s PRO 29 N 2.08 2.49 -0.26 0.52 0.02 -1.26 -4.99 135.00 133.59 3gxd s PRO 29 Ca 0.87 1.43 -0.03 0.00 0.02 0.00 0.00 61.00 63.29 3gxd s PRO 29 Cb -1.24 -1.91 0.09 0.00 0.02 0.00 0.00 34.50 31.46 3gxd s PRO 29 CO 0.66 -1.50 0.10 0.99 -0.33 0.00 0.00 177.00 176.92 3gxd s THR 30 N -2.38 0.21 -0.25 0.99 2.01 -1.26 -5.10 115.64 109.86 3gxd s THR 30 Ca 0.67 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 61.62 3gxd s THR 30 Cb -0.22 -1.06 0.01 0.00 0.01 0.00 0.00 72.50 71.24 3gxd s THR 30 CO 0.45 -0.57 1.07 0.72 -0.69 0.00 0.00 174.62 175.61 3gxd s PHE 31 N 1.97 3.23 0.43 4.92 -0.12 -1.26 -5.02 117.98 122.13 3gxd s PHE 31 Ca 0.07 1.35 -0.15 0.00 -0.05 0.00 0.00 56.93 58.15 3gxd s PHE 31 Cb -0.16 -3.41 -0.08 0.00 -0.63 0.00 0.00 43.02 38.74 3gxd s PHE 31 CO -0.25 -0.69 0.85 -1.25 -0.05 0.00 0.00 175.22 173.83 3gxd s PRO 32 N 3.36 3.93 0.32 1.99 0.04 -1.26 -5.06 135.00 138.32 3gxd s PRO 32 Ca 0.46 0.74 -0.09 0.00 0.04 0.00 0.00 61.00 62.15 3gxd s PRO 32 Cb -0.15 -2.29 -0.07 0.00 0.04 0.00 0.00 34.50 32.02 3gxd s PRO 32 CO 0.09 -0.07 -0.15 0.00 0.04 0.00 0.00 177.00 176.91 3gxd n ALA 33 N -1.12 -2.75 -1.76 8.56 0.00 -1.26 -4.42 120.51 117.76 3gxd n ALA 33 Ca 0.05 -0.11 -0.39 0.00 0.00 0.00 0.00 53.44 52.99 3gxd n ALA 33 Cb 0.54 -0.66 0.01 0.00 0.00 0.00 0.00 19.45 19.34 3gxd n ALA 33 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3gxd s LEU 34 N 2.88 4.06 0.00 0.00 2.96 -1.26 -2.20 118.68 125.12 3gxd s LEU 34 Ca 0.26 2.64 0.00 0.00 -0.22 0.00 0.00 54.13 56.81 3gxd s LEU 34 Cb -0.20 -4.08 0.00 0.00 0.50 0.00 0.00 46.19 42.40 3gxd s LEU 34 CO 0.35 -1.10 0.00 0.61 -1.32 0.00 0.00 176.35 174.89 3gxd n GLY 35 N 0.62 0.69 3.11 7.98 0.00 -1.26 -5.03 105.19 111.30 3gxd n GLY 35 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 3gxd n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gxd s THR 36 N -2.40 1.39 0.14 2.61 2.01 -0.93 0.50 115.64 118.95 3gxd s THR 36 Ca 0.00 -0.68 0.08 0.00 0.31 0.00 0.00 61.69 61.41 3gxd s THR 36 Cb 0.00 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 3gxd s THR 36 CO 0.00 0.40 -0.12 0.72 -0.69 0.00 0.00 174.62 174.94 3gxd s PHE 37 N 0.19 2.65 -0.11 4.92 -0.12 -0.68 -4.30 117.98 120.53 3gxd s PHE 37 Ca -0.07 -0.21 -0.06 0.00 -0.05 0.00 0.00 56.93 56.54 3gxd s PHE 37 Cb -0.13 -1.36 -0.04 0.00 -0.63 0.00 0.00 43.02 40.87 3gxd s PHE 37 CO 0.03 0.45 0.13 -1.12 -0.05 0.00 0.00 175.22 174.66 3gxd s SER 38 N -2.42 6.29 -0.07 1.98 0.01 -0.04 -1.81 113.70 117.64 3gxd s SER 38 Ca 0.22 0.44 0.02 0.00 1.31 0.00 0.00 55.95 57.94 3gxd s SER 38 Cb -0.10 -2.02 0.01 0.00 0.21 0.00 0.00 66.02 64.12 3gxd s SER 38 CO 0.13 0.40 -0.13 -0.60 0.41 0.00 0.00 173.24 173.46 3gxd s ARG 39 N -1.04 1.81 -0.16 12.44 3.00 0.28 -0.79 118.95 134.48 3gxd s ARG 39 Ca 0.15 -0.45 -0.05 0.00 -1.00 0.00 0.00 55.73 54.39 3gxd s ARG 39 Cb -0.12 -1.48 -0.03 0.00 0.00 0.00 0.00 34.95 33.32 3gxd s ARG 39 CO 0.04 0.03 -0.01 0.71 0.00 0.00 0.00 175.30 176.07 3gxd s TYR 40 N 0.67 3.09 -0.01 5.12 1.51 -0.36 -0.47 117.35 126.89 3gxd s TYR 40 Ca -0.14 -0.20 0.06 0.00 -1.01 0.00 0.00 57.07 55.78 3gxd s TYR 40 Cb -0.16 -1.99 -0.02 0.00 -0.11 0.00 0.00 41.96 39.68 3gxd s TYR 40 CO 0.04 0.01 -0.21 -2.00 -1.11 0.00 0.00 175.55 172.28 3gxd s GLU 41 N 0.37 1.67 0.04 -0.62 2.12 0.45 -1.75 118.70 120.98 3gxd s GLU 41 Ca -0.02 -0.75 0.02 0.00 0.36 0.00 0.00 54.97 54.58 3gxd s GLU 41 Cb -0.14 -1.62 -0.02 0.00 0.26 0.00 0.00 34.13 32.61 3gxd s GLU 41 CO 0.02 0.44 -0.07 -1.12 -0.54 0.00 0.00 175.26 173.99 3gxd s SER 42 N -0.51 0.78 -0.01 -1.70 0.01 -1.05 0.43 113.70 111.66 3gxd s SER 42 Ca 0.08 -0.57 -0.19 0.00 1.31 0.00 0.00 55.95 56.58 3gxd s SER 42 Cb -0.08 0.05 0.04 0.00 0.21 0.00 0.00 66.02 66.23 3gxd s SER 42 CO -0.01 -0.23 0.41 0.42 0.41 0.00 0.00 173.24 174.24 3gxd s THR 43 N -1.50 0.05 0.19 1.44 -4.23 -0.32 -1.44 115.64 109.82 3gxd s THR 43 Ca -0.10 -0.38 -0.12 0.00 -1.18 0.00 0.00 61.69 59.92 3gxd s THR 43 Cb -0.09 -0.78 0.11 0.00 1.34 0.00 0.00 72.50 73.08 3gxd s THR 43 CO -0.00 -0.21 1.85 -0.09 -0.54 0.00 0.00 174.62 175.63 3gxd h ARG 44 N 3.48 0.78 0.00 3.99 2.43 -1.71 -1.97 114.38 121.39 3gxd h ARG 44 Ca -0.29 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3gxd h ARG 44 Cb 1.18 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3gxd h ARG 44 CO 0.41 0.52 0.00 -1.13 -1.51 0.00 0.00 179.97 178.25 3gxd n SER 45 N -4.68 0.27 0.00 -3.80 3.41 -1.26 -4.55 113.62 103.01 3gxd n SER 45 Ca 0.05 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 3gxd n SER 45 Cb 0.05 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 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 -1.40 0.41 3.74 5.00 0.00 -0.74 -5.01 105.19 107.19 3gxd n GLY 46 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.67 -0.31 1.61 0.52 -1.23 -4.90 118.95 119.31 3gxd s ARG 47 Ca 0.00 1.66 -0.02 0.00 -0.52 0.00 0.00 55.73 56.86 3gxd s ARG 47 Cb 0.00 -3.27 0.11 0.00 0.52 0.00 0.00 34.95 32.31 3gxd s ARG 47 CO 0.00 0.22 0.13 1.03 0.02 0.00 0.00 175.30 176.70 3gxd s ARG 48 N -0.77 0.52 -1.35 3.54 1.81 -1.23 -1.18 118.95 120.30 3gxd s ARG 48 Ca 0.46 -0.94 -0.02 0.00 -1.72 0.00 0.00 55.73 53.51 3gxd s ARG 48 Cb -0.29 -1.60 0.01 0.00 -0.45 0.00 0.00 34.95 32.62 3gxd s ARG 48 CO 0.35 -1.04 0.71 -1.33 -0.68 0.00 0.00 175.30 173.32 3gxd n MET 49 N 4.84 -4.84 -2.88 3.54 2.81 0.17 -4.91 117.12 115.85 3gxd n MET 49 Ca -0.01 0.60 -0.41 0.00 -1.81 0.00 0.00 57.70 56.06 3gxd n MET 49 Cb 0.41 -5.16 -0.04 0.00 -0.71 0.00 0.00 33.22 27.72 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 -6.13 4.49 -0.09 0.03 2.02 0.11 -4.61 118.70 114.53 3gxd s GLU 50 Ca 0.10 1.15 -0.21 0.00 0.02 0.00 0.00 54.97 56.03 3gxd s GLU 50 Cb -0.05 -3.46 -0.04 0.00 0.10 0.00 0.00 34.13 30.68 3gxd s GLU 50 CO 0.82 -0.01 0.59 -1.17 0.02 0.00 0.00 175.26 175.51 3gxd s LEU 51 N 0.95 4.30 0.05 1.80 2.96 -1.26 -0.42 118.68 127.07 3gxd s LEU 51 Ca 0.45 1.01 -0.00 0.00 -0.22 0.00 0.00 54.13 55.36 3gxd s LEU 51 Cb -0.19 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.57 3gxd s LEU 51 CO 0.23 -0.05 -0.04 -0.94 -1.32 0.00 0.00 176.35 174.23 3gxd s SER 52 N 0.66 0.55 0.24 3.68 1.04 0.37 -5.00 113.70 115.25 3gxd s SER 52 Ca 0.32 -0.92 0.12 0.00 0.48 0.00 0.00 55.95 55.94 3gxd s SER 52 Cb -0.16 0.17 -0.05 0.00 0.10 0.00 0.00 66.02 66.08 3gxd s SER 52 CO 0.14 -0.53 -0.21 -0.04 0.98 0.00 0.00 173.24 173.58 3gxd s MET 53 N -3.50 1.63 0.14 4.02 -1.94 -1.26 -0.56 119.30 117.83 3gxd s MET 53 Ca 0.04 -1.65 -0.03 0.00 -1.71 0.00 0.00 55.69 52.34 3gxd s MET 53 Cb 0.05 -1.82 0.01 0.00 2.01 0.00 0.00 34.83 35.08 3gxd s MET 53 CO -0.08 0.36 0.24 0.41 -0.01 0.00 0.00 175.02 175.95 3gxd n GLY 54 N -0.24 2.11 3.89 -0.03 0.00 -0.75 -4.99 105.19 105.19 3gxd n GLY 54 Ca -0.08 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 3gxd n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxd s PRO 55 N -2.14 3.52 -0.37 1.61 0.04 -1.26 -1.68 135.00 134.70 3gxd s PRO 55 Ca 0.08 -0.19 -0.14 0.00 0.04 0.00 0.00 61.00 60.79 3gxd s PRO 55 Cb -0.01 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.45 3gxd s PRO 55 CO 0.06 0.65 0.26 0.42 0.04 0.00 0.00 177.00 178.44 3gxd s ILE 56 N -1.32 5.22 0.03 0.56 1.01 0.18 -4.58 121.20 122.30 3gxd s ILE 56 Ca 0.28 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.51 3gxd s ILE 56 Cb -0.13 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 3gxd s ILE 56 CO 0.17 -0.16 -0.07 -1.58 0.00 0.00 0.00 174.94 173.31 3gxd s GLN 57 N 1.69 2.47 0.48 2.79 0.74 0.13 -4.61 119.66 123.36 3gxd s GLN 57 Ca 0.05 -0.79 0.28 0.00 0.05 0.00 0.00 55.36 54.95 3gxd s GLN 57 Cb -0.18 -2.47 0.82 0.00 1.10 0.00 0.00 33.01 32.27 3gxd s GLN 57 CO 0.10 0.58 1.78 0.00 -0.55 0.00 0.00 175.29 177.20 3gxd h ALA 58 N 4.24 1.00 -2.33 1.58 0.00 -1.86 0.12 119.26 122.01 3gxd h ALA 58 Ca -0.48 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 53.93 3gxd h ALA 58 Cb 1.17 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3gxd h ALA 58 CO 0.54 0.00 -0.48 -0.80 0.00 0.00 0.00 179.25 178.51 3gxd s ASN 59 N -5.89 6.01 -0.57 0.00 0.02 -1.26 -4.79 114.94 108.46 3gxd s ASN 59 Ca 0.04 -0.02 0.03 0.00 -1.02 0.00 0.00 52.86 51.89 3gxd s ASN 59 Cb 0.07 -1.69 0.14 0.00 0.02 0.00 0.00 41.25 39.79 3gxd s ASN 59 CO 0.61 -0.02 0.33 -2.28 0.02 0.00 0.00 177.10 175.76 3gxd s HIS 60 N -1.95 3.29 -0.03 2.20 5.65 -1.26 -4.72 115.29 118.47 3gxd s HIS 60 Ca 0.33 -3.12 0.31 0.00 0.25 0.00 0.00 55.06 52.83 3gxd s HIS 60 Cb -0.09 -2.88 1.22 0.00 -1.18 0.00 0.00 32.58 29.65 3gxd s HIS 60 CO 0.27 -0.73 1.92 1.79 -0.65 0.00 0.00 174.74 177.34 3gxd h THR 61 N 5.27 0.00 -3.94 0.89 1.35 -1.98 -3.46 112.91 111.05 3gxd h THR 61 Ca -0.03 -0.52 -0.55 0.00 -0.55 0.00 0.00 66.41 64.75 3gxd h THR 61 Cb 0.88 1.49 0.14 0.00 -1.73 0.00 0.00 68.15 68.93 3gxd h THR 61 CO 0.70 0.00 0.60 0.61 -0.25 0.00 0.00 175.52 177.18 3gxd n GLY 62 N 0.15 0.77 0.00 5.82 0.00 -1.26 -4.95 105.19 105.73 3gxd n GLY 62 Ca 0.01 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.75 0.26 -1.36 2.61 -2.24 -1.26 -5.07 114.28 106.47 3gxd n THR 63 Ca 0.09 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3gxd n THR 63 Cb 0.43 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 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 -0.13 2.70 3.56 3.38 0.00 -1.26 -5.03 105.19 108.41 3gxd n GLY 64 Ca 0.00 -1.90 -0.53 0.00 0.00 0.00 0.00 46.02 43.59 3gxd n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gxd n LEU 65 N 0.00 1.12 -4.33 0.99 7.94 -1.25 -4.86 117.00 116.60 3gxd n LEU 65 Ca 0.00 1.13 -0.33 0.00 -1.11 0.00 0.00 56.01 55.71 3gxd n LEU 65 Cb 0.00 -1.13 -0.15 0.00 0.53 0.00 0.00 43.42 42.67 3gxd n LEU 65 CO 0.00 -1.38 -0.49 -0.22 -1.11 0.00 0.00 177.39 174.19 3gxd s LEU 66 N 0.52 2.49 -0.13 -1.96 2.96 -1.26 -1.09 118.68 120.21 3gxd s LEU 66 Ca 0.82 -0.39 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 3gxd s LEU 66 Cb -1.00 -1.53 0.01 0.00 0.50 0.00 0.00 46.19 44.17 3gxd s LEU 66 CO 0.51 0.19 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.75 3gxd s LEU 67 N 0.19 2.07 -0.22 -0.68 1.43 -0.42 0.15 118.68 121.20 3gxd s LEU 67 Ca -0.10 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.42 3gxd s LEU 67 Cb -0.16 -1.41 0.03 0.00 0.03 0.00 0.00 46.19 44.68 3gxd s LEU 67 CO 0.06 0.09 -0.14 -0.89 0.23 0.00 0.00 176.35 175.70 3gxd s THR 68 N 0.76 2.36 0.39 5.49 2.01 -0.95 -0.30 115.64 125.39 3gxd s THR 68 Ca -0.09 -1.09 -0.27 0.00 0.31 0.00 0.00 61.69 60.55 3gxd s THR 68 Cb -0.16 -2.14 -0.11 0.00 0.01 0.00 0.00 72.50 70.10 3gxd s THR 68 CO -0.00 0.32 1.34 -0.11 -0.69 0.00 0.00 174.62 175.48 3gxd n LEU 69 N 4.60 4.15 -3.42 4.42 7.94 0.27 -1.87 117.00 133.09 3gxd n LEU 69 Ca -0.18 1.17 -0.27 0.00 -1.11 0.00 0.00 56.01 55.62 3gxd n LEU 69 Cb 0.48 -1.53 -0.10 0.00 0.53 0.00 0.00 43.42 42.79 3gxd n LEU 69 CO 0.25 -0.37 -0.29 0.00 -1.11 0.00 0.00 177.39 175.87 3gxd n GLN 70 N 0.28 0.35 0.28 1.96 1.13 -1.04 -4.52 117.38 115.82 3gxd n GLN 70 Ca 0.05 -3.28 0.19 0.00 -1.94 0.00 0.00 57.00 52.01 3gxd n GLN 70 Cb 0.38 -1.70 0.96 0.00 0.11 0.00 0.00 30.24 30.00 3gxd n GLN 70 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 3gxd h PRO 71 N 5.52 0.00 0.00 -1.09 0.11 -1.94 -2.58 132.00 132.02 3gxd h PRO 71 Ca 0.25 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.26 3gxd h PRO 71 Cb 0.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3gxd h PRO 71 CO 0.40 0.00 -0.46 0.93 -0.21 0.00 0.00 178.00 178.66 3gxd h GLU 72 N 0.00 0.00 -6.61 1.05 4.39 -1.96 -3.41 114.58 108.05 3gxd h GLU 72 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 3gxd h GLU 72 Cb 0.12 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.70 3gxd h GLU 72 CO 0.00 0.46 0.87 -0.65 -1.16 0.00 0.00 179.01 178.53 3gxd s GLN 73 N -3.50 3.70 -0.01 2.33 -0.21 -0.98 -5.04 119.66 115.94 3gxd s GLN 73 Ca 0.00 0.51 0.08 0.00 0.02 0.00 0.00 55.36 55.97 3gxd s GLN 73 Cb 0.11 -3.91 -0.02 0.00 1.00 0.00 0.00 33.01 30.19 3gxd s GLN 73 CO 0.71 -1.34 -0.25 0.15 -2.12 0.00 0.00 175.29 172.44 3gxd s LYS 74 N 4.31 1.97 0.00 2.91 1.02 -1.26 -2.23 119.74 126.46 3gxd s LYS 74 Ca 0.46 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.54 3gxd s LYS 74 Cb -0.08 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 3gxd s LYS 74 CO 0.30 0.53 0.00 1.19 -0.92 0.00 0.00 175.35 176.45 3gxd n PHE 75 N 2.37 0.00 -2.20 3.18 3.01 0.23 -5.01 117.46 119.05 3gxd n PHE 75 Ca -0.16 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.98 3gxd n PHE 75 Cb 0.52 0.00 -0.01 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 4.15 3.65 0.21 -1.08 0.00 -1.26 -4.62 119.66 120.71 3gxd s GLN 76 Ca 0.00 1.03 -0.03 0.00 -0.00 0.00 0.00 55.36 56.36 3gxd s GLN 76 Cb 0.00 -2.09 -0.05 0.00 0.00 0.00 0.00 33.01 30.87 3gxd s GLN 76 CO 0.00 -0.52 0.44 0.15 0.00 0.00 0.00 175.29 175.36 3gxd s LYS 77 N -4.19 3.59 -0.25 9.60 1.02 -1.26 -0.75 119.74 127.50 3gxd s LYS 77 Ca 0.60 -0.15 -0.09 0.00 0.02 0.00 0.00 55.97 56.35 3gxd s LYS 77 Cb -0.12 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.37 3gxd s LYS 77 CO 0.36 0.36 0.13 0.08 -0.92 0.00 0.00 175.35 175.35 3gxd s VAL 78 N -1.88 4.90 -0.02 3.17 1.01 0.97 -4.63 120.40 123.93 3gxd s VAL 78 Ca 0.41 0.03 -0.23 0.00 0.00 0.00 0.00 61.98 62.19 3gxd s VAL 78 Cb -0.11 -3.30 -0.21 0.00 0.00 0.00 0.00 36.38 32.77 3gxd s VAL 78 CO 0.28 0.33 1.15 0.50 0.00 0.00 0.00 175.10 177.35 3gxd h LYS 79 N 7.93 0.23 0.00 2.72 1.63 0.17 0.43 116.57 129.68 3gxd h LYS 79 Ca -0.37 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.24 3gxd h LYS 79 Cb 1.18 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 3gxd h LYS 79 CO 0.60 0.85 0.00 0.41 -3.45 0.00 0.00 179.45 177.86 3gxd n GLY 80 N 0.73 0.40 3.07 5.01 0.00 -1.19 -4.50 105.19 108.71 3gxd n GLY 80 Ca -0.09 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 3gxd n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxd s PHE 81 N -3.61 -0.01 -0.92 1.61 0.40 -1.26 -0.96 117.98 113.24 3gxd s PHE 81 Ca 0.00 0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.34 3gxd s PHE 81 Cb 0.00 -0.03 0.00 0.00 0.51 0.00 0.00 43.02 43.50 3gxd s PHE 81 CO 0.00 -0.21 0.00 0.41 0.70 0.00 0.00 175.22 176.12 3gxd n GLY 82 N 1.96 -0.73 3.69 4.36 0.00 -0.58 -0.55 105.19 113.35 3gxd n GLY 82 Ca -0.20 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 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 1.38 3.79 -0.02 0.00 -1.13 0.07 105.19 109.28 3gxd n GLY 83 Ca 0.00 -1.40 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.37 3.70 -1.37 4.61 0.00 0.10 -1.86 121.76 124.57 3gxd s ALA 84 Ca 0.21 -0.49 -0.08 0.00 0.00 0.00 0.00 51.96 51.60 3gxd s ALA 84 Cb -0.03 -2.24 0.09 0.00 0.00 0.00 0.00 23.12 20.93 3gxd s ALA 84 CO 0.16 0.32 2.36 -0.12 0.00 0.00 0.00 175.76 178.47 3gxd n MET 85 N 2.81 4.12 -0.81 0.00 1.56 0.27 -1.27 117.12 123.81 3gxd n MET 85 Ca -0.15 -3.21 -0.28 0.00 -0.27 0.00 0.00 57.70 53.78 3gxd n MET 85 Cb 0.53 -2.77 0.22 0.00 2.15 0.00 0.00 33.22 33.35 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 0.02 2.05 0.16 1.12 -4.23 -1.26 -4.52 115.64 108.97 3gxd s THR 86 Ca 0.53 0.02 -0.16 0.00 -1.18 0.00 0.00 61.69 60.90 3gxd s THR 86 Cb 0.16 -2.25 0.03 0.00 1.34 0.00 0.00 72.50 71.78 3gxd s THR 86 CO -0.07 -0.02 1.76 0.44 -0.54 0.00 0.00 174.62 176.20 3gxd h ASP 87 N -2.32 0.20 -0.81 3.99 3.32 -1.91 -2.24 116.42 116.63 3gxd h ASP 87 Ca -0.59 0.03 0.13 0.00 0.02 0.00 0.00 57.03 56.63 3gxd h ASP 87 Cb 1.33 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.80 3gxd h ASP 87 CO 0.53 0.15 0.41 0.00 -1.72 0.00 0.00 179.24 178.61 3gxd h ALA 88 N 1.23 1.19 0.04 3.45 0.00 0.85 -1.22 119.26 124.80 3gxd h ALA 88 Ca 0.17 0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.91 3gxd h ALA 88 Cb 0.12 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.90 3gxd h ALA 88 CO -0.15 -0.08 -1.04 0.00 0.00 0.00 0.00 179.25 177.98 3gxd h ALA 89 N 1.53 0.26 -1.00 0.00 0.00 -1.62 -1.74 119.26 116.68 3gxd h ALA 89 Ca 0.43 -0.75 0.03 0.00 0.00 0.00 0.00 54.91 54.63 3gxd h ALA 89 Cb 0.57 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 3gxd h ALA 89 CO -0.34 0.82 0.66 0.00 0.00 0.00 0.00 179.25 180.39 3gxd h ALA 90 N 0.64 1.32 0.20 0.00 0.00 -0.72 -0.22 119.26 120.47 3gxd h ALA 90 Ca -0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3gxd h ALA 90 Cb 1.70 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3gxd h ALA 90 CO 0.18 0.57 -0.10 -0.07 0.00 0.00 0.00 179.25 179.84 3gxd h LEU 91 N 1.28 -0.23 -0.83 0.00 3.38 -1.20 0.10 115.31 117.82 3gxd h LEU 91 Ca 0.39 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 58.24 3gxd h LEU 91 Cb -0.03 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 3gxd h LEU 91 CO -0.12 0.11 0.47 0.78 0.09 0.00 0.00 178.44 179.77 3gxd h ASN 92 N -0.59 0.66 0.02 -0.43 2.35 -1.12 -1.62 115.58 114.85 3gxd h ASN 92 Ca -0.03 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3gxd h ASN 92 Cb 0.43 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3gxd h ASN 92 CO 0.05 0.37 -0.01 0.40 -1.65 0.00 0.00 177.43 176.58 3gxd h ILE 93 N 0.78 1.16 0.00 2.81 2.04 -0.91 -3.04 117.51 120.35 3gxd h ILE 93 Ca 0.41 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3gxd h ILE 93 Cb 0.40 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3gxd h ILE 93 CO -0.26 0.14 0.00 0.18 0.00 0.00 0.00 178.15 178.21 3gxd n LEU 94 N -4.99 0.00 -1.41 1.44 4.77 0.01 -2.05 117.00 114.77 3gxd n LEU 94 Ca -0.08 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.01 3gxd n LEU 94 Cb 0.14 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.56 3gxd n LEU 94 CO 0.33 0.00 0.78 0.00 -1.33 0.00 0.00 177.39 177.18 3gxd n ALA 95 N -0.84 2.57 -2.87 -1.18 0.00 -0.65 -4.87 120.51 112.67 3gxd n ALA 95 Ca 0.12 -1.35 -0.26 0.00 0.00 0.00 0.00 53.44 51.95 3gxd n ALA 95 Cb 0.06 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.22 4.29 0.44 0.00 1.43 -0.87 -4.79 118.68 117.96 3gxd s LEU 96 Ca 0.49 0.26 -0.23 0.00 -1.03 0.00 0.00 54.13 53.61 3gxd s LEU 96 Cb 0.27 -3.01 -0.08 0.00 0.03 0.00 0.00 46.19 43.40 3gxd s LEU 96 CO 0.31 -0.00 1.15 -0.94 0.23 0.00 0.00 176.35 177.10 3gxd s SER 97 N -3.28 6.30 0.25 2.29 1.04 -1.26 -4.63 113.70 114.41 3gxd s SER 97 Ca 0.36 2.29 -0.14 0.00 0.48 0.00 0.00 55.95 58.94 3gxd s SER 97 Cb -0.11 -2.60 0.32 0.00 0.10 0.00 0.00 66.02 63.73 3gxd s SER 97 CO 0.29 -0.82 1.56 -0.65 0.98 0.00 0.00 173.24 174.60 3gxd h PRO 98 N 2.22 -0.01 -0.80 4.02 0.11 -1.96 0.32 132.00 135.90 3gxd h PRO 98 Ca -0.49 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.75 3gxd h PRO 98 Cb 1.24 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.30 3gxd h PRO 98 CO 0.61 -0.01 0.53 -1.35 -0.21 0.00 0.00 178.00 177.57 3gxd h PRO 99 N -0.01 0.59 -0.06 1.05 0.11 -1.91 -2.05 132.00 129.71 3gxd h PRO 99 Ca 0.39 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 66.28 3gxd h PRO 99 Cb 0.64 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 3gxd h PRO 99 CO -0.96 0.39 -0.76 0.00 -0.21 0.00 0.00 178.00 176.46 3gxd h ALA 100 N 1.62 0.58 -0.70 -0.75 0.00 -0.56 -2.99 119.26 116.46 3gxd h ALA 100 Ca 0.39 -0.63 0.13 0.00 0.00 0.00 0.00 54.91 54.81 3gxd h ALA 100 Cb 0.66 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.26 3gxd h ALA 100 CO -0.15 0.78 -0.24 1.96 0.00 0.00 0.00 179.25 181.60 3gxd h GLN 101 N 0.24 -0.05 0.00 0.00 4.20 -0.64 -1.98 115.11 116.88 3gxd h GLN 101 Ca -0.04 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 3gxd h GLN 101 Cb 1.34 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 3gxd h GLN 101 CO 0.13 -0.03 -0.40 -0.91 -0.67 0.00 0.00 178.83 176.94 3gxd h ASN 102 N -0.05 0.00 1.67 1.46 2.35 -1.31 -0.29 115.58 119.40 3gxd h ASN 102 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 3gxd h ASN 102 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3gxd h ASN 102 CO -0.75 0.40 0.00 -0.07 -1.65 0.00 0.00 177.43 175.36 3gxd h LEU 103 N 0.00 0.00 0.00 1.61 3.38 -1.48 0.44 115.31 119.27 3gxd h LEU 103 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3gxd h LEU 103 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3gxd h LEU 103 CO 0.05 0.00 -0.15 0.25 0.09 0.00 0.00 178.44 178.68 3gxd h LEU 104 N 0.00 0.13 0.37 1.67 6.46 -0.32 -1.72 115.31 121.90 3gxd h LEU 104 Ca 0.00 -0.79 -0.02 0.00 -0.12 0.00 0.00 57.88 56.95 3gxd h LEU 104 Cb 0.83 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.73 3gxd h LEU 104 CO 0.00 0.91 -0.18 -0.07 -0.62 0.00 0.00 178.44 178.48 3gxd h LEU 105 N -0.63 -0.42 -0.96 2.25 3.38 -1.25 -1.27 115.31 116.40 3gxd h LEU 105 Ca -0.02 -0.03 0.25 0.00 0.09 0.00 0.00 57.88 58.16 3gxd h LEU 105 Cb 0.93 0.11 -0.13 0.00 0.09 0.00 0.00 40.66 41.66 3gxd h LEU 105 CO 0.03 -0.23 0.51 0.11 0.09 0.00 0.00 178.44 178.95 3gxd h LYS 106 N -0.57 0.46 -0.79 1.13 1.57 -0.22 0.42 116.57 118.56 3gxd h LYS 106 Ca -0.05 -0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.82 3gxd h LYS 106 Cb 0.43 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.55 3gxd h LYS 106 CO 0.08 0.30 0.41 1.03 -0.57 0.00 0.00 179.45 180.71 3gxd h SER 107 N 0.47 0.53 0.02 0.86 0.87 -0.27 -2.51 113.55 113.52 3gxd h SER 107 Ca 0.63 0.07 -0.19 0.00 -1.23 0.00 0.00 61.79 61.07 3gxd h SER 107 Cb 1.23 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.15 3gxd h SER 107 CO -0.52 0.27 -1.00 1.88 -0.53 0.00 0.00 176.83 176.94 3gxd h TYR 108 N 0.65 0.06 0.00 2.24 0.99 -0.92 -1.88 116.97 118.11 3gxd h TYR 108 Ca 0.41 -0.05 -0.14 0.00 2.00 0.00 0.00 58.73 60.96 3gxd h TYR 108 Cb 0.48 -0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.18 3gxd h TYR 108 CO -0.09 1.39 -2.03 1.19 -0.00 0.00 0.00 178.16 178.62 3gxd n PHE 109 N -4.39 0.13 -0.82 4.88 3.01 0.13 -0.57 117.46 119.83 3gxd n PHE 109 Ca -0.26 0.04 -0.30 0.00 1.01 0.00 0.00 57.45 57.94 3gxd n PHE 109 Cb 0.67 -0.74 0.17 0.00 -0.01 0.00 0.00 39.48 39.57 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 -4.98 2.85 0.00 4.37 0.15 -0.95 -3.73 113.70 111.41 3gxd s SER 110 Ca -0.08 1.91 0.24 0.00 0.70 0.00 0.00 55.95 58.72 3gxd s SER 110 Cb 0.11 -2.46 0.36 0.00 -1.71 0.00 0.00 66.02 62.32 3gxd s SER 110 CO 0.87 -3.10 1.32 -1.84 1.20 0.00 0.00 173.24 171.69 3gxd n GLU 111 N -4.21 0.04 0.00 5.44 0.28 -1.26 -2.03 120.64 118.89 3gxd n GLU 111 Ca 0.09 -0.02 0.14 0.00 -0.16 0.00 0.00 57.16 57.21 3gxd n GLU 111 Cb 0.53 -1.50 0.59 0.00 1.43 0.00 0.00 31.44 32.49 3gxd n GLU 111 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3gxd n GLU 112 N -1.46 0.49 0.00 3.44 1.02 -1.26 -4.75 120.64 118.12 3gxd n GLU 112 Ca 0.05 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 3gxd n GLU 112 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 3gxd n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gxd n GLY 113 N 1.33 1.90 0.66 0.62 0.00 -0.86 -1.69 105.19 107.15 3gxd n GLY 113 Ca 0.12 -1.66 0.07 0.00 0.00 0.00 0.00 46.02 44.56 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 1.77 -3.61 -0.61 -5.35 -0.71 -4.87 119.36 105.98 3gxd n ILE 114 Ca 0.00 -1.60 -0.24 0.00 -0.27 0.00 0.00 62.75 60.64 3gxd n ILE 114 Cb 0.00 0.02 0.07 0.00 -1.74 0.00 0.00 39.64 38.00 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 -0.31 -0.50 3.57 3.28 0.00 -0.92 -2.36 105.19 107.94 3gxd n GLY 115 Ca 0.16 0.22 -0.40 0.00 0.00 0.00 0.00 46.02 46.01 3gxd n GLY 115 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxd n TYR 116 N -4.81 0.55 -1.28 1.61 0.53 0.26 -4.73 117.16 109.30 3gxd n TYR 116 Ca -0.05 0.51 0.00 0.00 -1.02 0.00 0.00 57.90 57.35 3gxd n TYR 116 Cb 0.58 -2.13 0.00 0.00 -1.03 0.00 0.00 39.34 36.76 3gxd n TYR 116 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11 3gxd n ASN 117 N 0.28 0.00 -3.94 7.72 6.94 0.06 -4.78 115.26 121.54 3gxd n ASN 117 Ca 0.11 -1.04 -0.17 0.00 -0.02 0.00 0.00 54.58 53.46 3gxd n ASN 117 Cb 0.43 -0.01 -0.15 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 0.00 0.47 -0.09 1.53 1.01 0.29 0.36 121.20 124.77 3gxd s ILE 118 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.47 3gxd s ILE 118 Cb 0.00 -0.43 0.01 0.00 0.01 0.00 0.00 42.46 42.05 3gxd s ILE 118 CO 0.00 0.16 -0.13 -0.63 0.00 0.00 0.00 174.94 174.34 3gxd s ILE 119 N 0.19 1.29 0.02 2.92 1.01 -0.65 -2.85 121.20 123.13 3gxd s ILE 119 Ca -0.02 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 3gxd s ILE 119 Cb -0.06 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.17 3gxd s ILE 119 CO -0.00 0.40 0.31 -0.60 0.00 0.00 0.00 174.94 175.05 3gxd s ARG 120 N 0.89 3.66 -0.27 2.79 3.52 -0.78 -0.71 118.95 128.05 3gxd s ARG 120 Ca -0.10 0.04 -0.02 0.00 -0.13 0.00 0.00 55.73 55.52 3gxd s ARG 120 Cb -0.15 -3.08 0.12 0.00 -1.56 0.00 0.00 34.95 30.28 3gxd s ARG 120 CO 0.01 0.64 0.24 0.08 -0.81 0.00 0.00 175.30 175.45 3gxd s VAL 121 N -1.29 -0.30 0.61 7.11 1.01 0.02 -0.56 120.40 127.00 3gxd s VAL 121 Ca 0.28 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 3gxd s VAL 121 Cb -0.14 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 3gxd s VAL 121 CO 0.16 -0.47 1.22 -2.84 0.00 0.00 0.00 175.10 173.17 3gxd s PRO 122 N 2.29 2.84 -0.90 2.72 0.02 -1.26 -2.83 135.00 137.87 3gxd s PRO 122 Ca 0.09 1.87 -0.16 0.00 0.02 0.00 0.00 61.00 62.82 3gxd s PRO 122 Cb -0.15 -1.91 0.19 0.00 0.02 0.00 0.00 34.50 32.65 3gxd s PRO 122 CO -0.29 -1.32 0.95 -1.64 -0.33 0.00 0.00 177.00 174.37 3gxd s MET 123 N -3.39 3.66 2.11 5.54 -1.94 0.04 -4.81 119.30 120.50 3gxd s MET 123 Ca 0.78 -2.25 0.00 0.00 -1.71 0.00 0.00 55.69 52.52 3gxd s MET 123 Cb -0.32 -4.65 0.00 0.00 2.01 0.00 0.00 34.83 31.88 3gxd s MET 123 CO 0.35 -1.49 0.00 0.00 -0.01 0.00 0.00 175.02 173.87 3gxd n ALA 124 N 4.94 0.00 -1.78 3.03 0.00 -1.26 -4.41 120.51 121.03 3gxd n ALA 124 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.29 3gxd n ALA 124 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 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 6.20 0.00 0.00 1.04 -1.13 -4.92 113.70 110.89 3gxd s SER 125 Ca 0.00 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.38 3gxd s SER 125 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.56 3gxd s SER 125 CO 0.00 -0.88 0.00 0.00 0.98 0.00 0.00 173.24 173.34 3gxd h ASP 127 N 0.00 0.84 0.00 0.00 2.03 -1.96 -2.73 116.42 114.60 3gxd h ASP 127 Ca 0.00 -0.24 0.00 0.00 -0.73 0.00 0.00 57.03 56.06 3gxd h ASP 127 Cb 0.00 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 38.27 3gxd h ASP 127 CO 0.00 0.94 0.00 0.49 -1.03 0.00 0.00 179.24 179.64 3gxd n PHE 128 N -4.17 0.00 -3.61 4.15 3.01 -1.26 -1.95 117.46 113.63 3gxd n PHE 128 Ca 0.02 -0.52 -0.22 0.00 1.01 0.00 0.00 57.45 57.74 3gxd n PHE 128 Cb 0.35 -0.29 -0.02 0.00 -0.01 0.00 0.00 39.48 39.51 3gxd n PHE 128 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3gxd s SER 129 N 1.34 4.95 0.01 4.37 0.01 -1.03 0.13 113.70 123.47 3gxd s SER 129 Ca 0.00 -0.87 0.23 0.00 1.31 0.00 0.00 55.95 56.62 3gxd s SER 129 Cb 0.00 -0.28 0.14 0.00 0.21 0.00 0.00 66.02 66.09 3gxd s SER 129 CO 0.00 -0.80 1.14 2.30 0.41 0.00 0.00 173.24 176.29 3gxd n ILE 130 N -1.64 0.04 -3.56 1.44 -5.35 -1.26 -2.60 119.36 106.43 3gxd n ILE 130 Ca 0.03 -0.06 -0.10 0.00 -0.27 0.00 0.00 62.75 62.36 3gxd n ILE 130 Cb 0.62 0.50 -0.02 0.00 -1.74 0.00 0.00 39.64 39.00 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 -3.05 1.33 0.35 6.28 1.70 -1.26 -4.82 118.95 119.49 3gxd s ARG 131 Ca 0.08 -0.58 -0.05 0.00 -0.47 0.00 0.00 55.73 54.70 3gxd s ARG 131 Cb 0.16 0.55 -0.05 0.00 -0.57 0.00 0.00 34.95 35.05 3gxd s ARG 131 CO 0.78 -0.59 0.63 0.95 -1.08 0.00 0.00 175.30 175.99 3gxd s THR 132 N -3.67 4.97 0.00 4.99 -4.23 -1.26 -4.84 115.64 111.60 3gxd s THR 132 Ca 0.05 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 3gxd s THR 132 Cb -0.02 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 70.05 3gxd s THR 132 CO -0.07 -0.48 0.00 0.00 -0.54 0.00 0.00 174.62 173.54 3gxd n TYR 133 N -1.33 0.00 -4.29 3.99 0.18 -1.26 -5.01 117.16 109.43 3gxd n TYR 133 Ca -0.01 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.61 3gxd n TYR 133 Cb 0.54 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.47 3gxd n TYR 133 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 3gxd n THR 134 N -0.29 0.00 1.22 -3.48 -2.24 -1.26 -2.85 114.28 105.38 3gxd n THR 134 Ca 0.00 -1.20 0.13 0.00 -2.27 0.00 0.00 64.05 60.71 3gxd n THR 134 Cb 0.00 0.18 0.31 0.00 -2.10 0.00 0.00 70.33 68.71 3gxd n THR 134 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3gxd n TYR 135 N -0.71 0.00 -3.02 4.78 0.53 -1.26 -4.43 117.16 113.06 3gxd n TYR 135 Ca -0.09 0.00 -0.15 0.00 -1.02 0.00 0.00 57.90 56.63 3gxd n TYR 135 Cb 0.32 -0.07 -0.03 0.00 -1.03 0.00 0.00 39.34 38.54 3gxd n TYR 135 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3gxd n ALA 136 N -0.23 0.42 0.22 -0.72 0.00 -1.26 -0.49 120.51 118.45 3gxd n ALA 136 Ca 0.13 -2.18 0.12 0.00 0.00 0.00 0.00 53.44 51.51 3gxd n ALA 136 Cb 0.39 -1.11 0.11 0.00 0.00 0.00 0.00 19.45 18.84 3gxd n ALA 136 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3gxd h ASP 137 N 4.71 0.00 -2.77 0.00 3.32 -1.88 -3.43 116.42 116.37 3gxd h ASP 137 Ca 0.07 -0.02 -0.57 0.00 0.02 0.00 0.00 57.03 56.53 3gxd h ASP 137 Cb 0.99 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 3gxd h ASP 137 CO 0.28 0.01 1.19 -0.89 -1.72 0.00 0.00 179.24 178.11 3gxd s THR 138 N -3.27 3.61 0.77 0.35 2.01 -1.26 -4.89 115.64 112.96 3gxd s THR 138 Ca 0.04 0.65 -0.14 0.00 0.31 0.00 0.00 61.69 62.55 3gxd s THR 138 Cb 0.08 -3.72 0.06 0.00 0.01 0.00 0.00 72.50 68.93 3gxd s THR 138 CO 0.72 -0.39 1.20 -2.16 -0.69 0.00 0.00 174.62 173.31 3gxd s PRO 139 N 5.14 1.88 -1.27 4.92 0.04 -1.26 -4.05 135.00 140.39 3gxd s PRO 139 Ca 0.74 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 63.52 3gxd s PRO 139 Cb -0.23 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.51 3gxd s PRO 139 CO 0.32 -2.03 0.90 -0.25 0.04 0.00 0.00 177.00 175.97 3gxd n ASP 140 N -3.04 -2.20 -2.57 6.66 9.92 -1.26 -4.94 116.55 119.12 3gxd n ASP 140 Ca 0.13 -0.70 -0.30 0.00 -0.53 0.00 0.00 54.79 53.40 3gxd n ASP 140 Cb 0.50 -4.64 0.01 0.00 -0.64 0.00 0.00 41.12 36.35 3gxd n ASP 140 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3gxd n ASP 141 N -3.08 5.32 0.00 -2.24 2.03 -1.26 -4.89 116.55 112.44 3gxd n ASP 141 Ca -0.25 -3.75 0.00 0.00 0.52 0.00 0.00 54.79 51.31 3gxd n ASP 141 Cb 0.66 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 3gxd n ASP 141 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3gxd n PHE 142 N -0.50 0.00 0.82 -0.67 3.01 -1.26 0.33 117.46 119.20 3gxd n PHE 142 Ca 0.42 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.97 3gxd n PHE 142 Cb 0.57 -0.34 -0.02 0.00 -0.01 0.00 0.00 39.48 39.68 3gxd n PHE 142 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3gxd n GLN 143 N -1.34 1.45 -3.65 -1.08 1.13 -1.26 -4.60 117.38 108.03 3gxd n GLN 143 Ca 0.00 -0.71 -0.30 0.00 -1.94 0.00 0.00 57.00 54.05 3gxd n GLN 143 Cb 0.16 -1.35 0.04 0.00 0.11 0.00 0.00 30.24 29.20 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 -0.34 -3.00 0.10 1.08 4.77 1.01 -4.90 117.00 115.71 3gxd n LEU 144 Ca 0.07 -0.98 0.03 0.00 -0.03 0.00 0.00 56.01 55.10 3gxd n LEU 144 Cb 0.37 -2.41 -0.01 0.00 -2.33 0.00 0.00 43.42 39.04 3gxd n LEU 144 CO 0.26 0.40 0.19 0.45 -1.33 0.00 0.00 177.39 177.36 3gxd h HIS 145 N -1.73 0.00 -0.57 -1.77 3.86 -1.95 -3.31 115.15 109.67 3gxd h HIS 145 Ca -0.64 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.57 3gxd h HIS 145 Cb 1.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.82 3gxd h HIS 145 CO 0.33 0.45 0.00 0.09 0.86 0.00 0.00 177.93 179.65 3gxd n ASN 146 N -3.05 5.25 -4.68 2.45 3.02 -1.26 -4.93 115.26 112.06 3gxd n ASN 146 Ca -0.02 -2.75 -0.42 0.00 -0.03 0.00 0.00 54.58 51.36 3gxd n ASN 146 Cb 0.74 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 3gxd n ASN 146 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3gxd s PHE 147 N -2.42 2.04 0.20 3.10 5.36 -1.25 -4.70 117.98 120.31 3gxd s PHE 147 Ca 0.51 0.06 -0.15 0.00 -0.96 0.00 0.00 56.93 56.39 3gxd s PHE 147 Cb 0.37 -4.06 0.01 0.00 -0.34 0.00 0.00 43.02 39.00 3gxd s PHE 147 CO 0.18 -4.44 0.47 -1.54 -1.46 0.00 0.00 175.22 168.42 3gxd s SER 148 N 3.07 -0.15 -0.17 6.13 1.04 0.36 -5.02 113.70 118.95 3gxd s SER 148 Ca 0.78 -0.67 -0.19 0.00 0.48 0.00 0.00 55.95 56.35 3gxd s SER 148 Cb -0.41 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 3gxd s SER 148 CO 0.35 -1.05 0.53 -0.76 0.98 0.00 0.00 173.24 173.29 3gxd s LEU 149 N -2.93 4.19 0.00 2.42 1.43 -1.26 -4.53 118.68 118.00 3gxd s LEU 149 Ca 0.14 0.76 -0.03 0.00 -1.03 0.00 0.00 54.13 53.96 3gxd s LEU 149 Cb -0.00 -2.74 0.05 0.00 0.03 0.00 0.00 46.19 43.52 3gxd s LEU 149 CO 0.01 -0.14 0.20 -0.81 0.23 0.00 0.00 176.35 175.84 3gxd n PRO 150 N 4.46 -0.99 0.08 1.29 -0.04 -1.26 -4.76 135.00 133.77 3gxd n PRO 150 Ca -0.05 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 3gxd n PRO 150 Cb 0.51 -0.26 0.32 0.00 -0.04 0.00 0.00 33.50 34.03 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 0.32 -0.67 0.54 5.08 -1.99 -1.03 114.58 116.83 3gxd h GLU 151 Ca -0.07 -0.09 0.14 0.00 -1.00 0.00 0.00 59.36 58.34 3gxd h GLU 151 Cb 0.21 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 3gxd h GLU 151 CO 0.05 0.49 0.46 0.93 -1.00 0.00 0.00 179.01 179.93 3gxd h GLU 152 N 0.30 0.31 0.00 2.33 3.07 -1.96 0.52 114.58 119.15 3gxd h GLU 152 Ca 0.06 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3gxd h GLU 152 Cb 0.47 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 3gxd h GLU 152 CO 0.03 0.21 -0.42 -0.44 -1.40 0.00 0.00 179.01 176.99 3gxd h ASP 153 N 0.32 0.00 0.74 1.42 3.32 -1.87 -1.09 116.42 119.26 3gxd h ASP 153 Ca 0.33 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.28 3gxd h ASP 153 Cb 0.83 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 3gxd h ASP 153 CO -0.08 0.68 -0.43 0.71 -1.72 0.00 0.00 179.24 178.40 3gxd h THR 154 N -0.95 1.05 0.00 0.35 1.35 -1.02 -1.09 112.91 112.61 3gxd h THR 154 Ca 0.00 -1.63 -0.37 0.00 -0.55 0.00 0.00 66.41 63.86 3gxd h THR 154 Cb 0.42 1.95 -0.07 0.00 -1.73 0.00 0.00 68.15 68.72 3gxd h THR 154 CO 0.00 0.42 -2.34 0.29 -0.25 0.00 0.00 175.52 173.64 3gxd n LYS 155 N -3.65 0.68 -0.02 4.72 5.02 0.18 -4.57 118.16 120.51 3gxd n LYS 155 Ca -0.01 0.07 -0.04 0.00 -2.02 0.00 0.00 58.31 56.31 3gxd n LYS 155 Cb 0.52 -1.55 -0.01 0.00 -0.02 0.00 0.00 35.03 33.97 3gxd n LYS 155 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3gxd n LEU 156 N -2.94 1.36 0.36 -0.35 4.77 -0.97 -4.64 117.00 114.59 3gxd n LEU 156 Ca -0.35 0.21 -0.18 0.00 -0.03 0.00 0.00 56.01 55.66 3gxd n LEU 156 Cb 1.10 -0.52 -0.09 0.00 -2.33 0.00 0.00 43.42 41.58 3gxd n LEU 156 CO 0.39 -0.49 0.65 0.11 -1.33 0.00 0.00 177.39 176.72 3gxd h LYS 157 N -0.48 -0.85 0.52 3.23 1.57 -1.06 -2.44 116.57 117.06 3gxd h LYS 157 Ca 0.00 0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3gxd h LYS 157 Cb 0.48 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 3gxd h LYS 157 CO 0.00 -0.56 -0.45 0.82 -0.57 0.00 0.00 179.45 178.68 3gxd h ILE 158 N -0.90 0.00 -0.99 1.86 2.04 -1.45 0.54 117.51 118.61 3gxd h ILE 158 Ca -0.09 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.92 3gxd h ILE 158 Cb 0.68 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.67 3gxd h ILE 158 CO 0.15 0.00 0.62 -0.65 0.00 0.00 0.00 178.15 178.27 3gxd h PRO 159 N -0.95 0.85 -0.48 2.37 0.11 -1.78 0.18 132.00 132.30 3gxd h PRO 159 Ca -0.07 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.92 3gxd h PRO 159 Cb 0.81 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 3gxd h PRO 159 CO -0.02 0.56 0.02 -0.07 -0.21 0.00 0.00 178.00 178.28 3gxd h LEU 160 N 0.87 0.81 -1.16 2.35 3.38 -0.92 -1.93 115.31 118.72 3gxd h LEU 160 Ca 0.52 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 58.20 3gxd h LEU 160 Cb 0.67 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 3gxd h LEU 160 CO -0.30 0.91 0.56 -0.29 0.09 0.00 0.00 178.44 179.40 3gxd h ILE 161 N 0.69 1.22 -0.43 1.22 2.10 0.13 -2.44 117.51 120.00 3gxd h ILE 161 Ca 0.14 -0.41 0.12 0.00 1.08 0.00 0.00 64.86 65.79 3gxd h ILE 161 Cb 0.48 -0.02 -0.02 0.00 -1.09 0.00 0.00 36.82 36.17 3gxd h ILE 161 CO 0.02 0.21 0.31 0.45 -1.08 0.00 0.00 178.15 178.06 3gxd h HIS 162 N 1.15 0.03 0.00 2.19 3.86 0.08 -1.86 115.15 120.60 3gxd h HIS 162 Ca 0.31 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.41 3gxd h HIS 162 Cb -0.13 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 3gxd h HIS 162 CO 0.00 0.02 -1.22 0.00 0.86 0.00 0.00 177.93 177.58 3gxd h ARG 163 N 0.03 0.00 -0.46 2.45 3.08 -1.19 -1.81 114.38 116.49 3gxd h ARG 163 Ca 0.20 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.13 3gxd h ARG 163 Cb 0.78 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 3gxd h ARG 163 CO -0.01 0.21 -0.20 0.00 -1.07 0.00 0.00 179.97 178.90 3gxd h ALA 164 N 1.61 0.78 0.20 0.04 0.00 -0.89 -2.66 119.26 118.33 3gxd h ALA 164 Ca -0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3gxd h ALA 164 Cb 1.39 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gxd h ALA 164 CO 0.03 0.66 -0.10 -0.07 0.00 0.00 0.00 179.25 179.78 3gxd h LEU 165 N 0.80 -0.23 -1.52 0.00 3.38 -1.34 -2.12 115.31 114.28 3gxd h LEU 165 Ca 0.11 -0.25 0.26 0.00 0.09 0.00 0.00 57.88 58.10 3gxd h LEU 165 Cb 0.75 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.48 3gxd h LEU 165 CO 0.06 0.15 0.68 1.56 0.09 0.00 0.00 178.44 180.98 3gxd h GLN 166 N -0.64 0.31 0.15 1.13 4.20 -1.29 -0.66 115.11 118.31 3gxd h GLN 166 Ca -0.03 -0.02 -0.29 0.00 0.06 0.00 0.00 58.65 58.38 3gxd h GLN 166 Cb 0.46 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.19 3gxd h GLN 166 CO 0.05 0.20 -1.28 -0.07 -0.67 0.00 0.00 178.83 177.06 3gxd h LEU 167 N 0.32 0.56 -9.41 1.46 3.38 -1.41 -3.45 115.31 106.76 3gxd h LEU 167 Ca 0.55 -0.58 -0.54 0.00 0.09 0.00 0.00 57.88 57.40 3gxd h LEU 167 Cb 1.55 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 3gxd h LEU 167 CO -0.21 1.45 0.53 0.00 0.09 0.00 0.00 178.44 180.30 3gxd s ALA 168 N -2.70 3.34 -0.01 1.53 0.00 -0.26 -4.38 121.76 119.28 3gxd s ALA 168 Ca -0.06 0.67 0.12 0.00 0.00 0.00 0.00 51.96 52.69 3gxd s ALA 168 Cb 0.06 -3.43 -0.17 0.00 0.00 0.00 0.00 23.12 19.58 3gxd s ALA 168 CO 0.90 -0.46 0.99 0.37 0.00 0.00 0.00 175.76 177.57 3gxd h GLN 169 N 6.96 0.00 -6.75 0.00 4.15 -1.83 -3.45 115.11 114.19 3gxd h GLN 169 Ca -0.39 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 58.53 3gxd h GLN 169 Cb 1.20 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.89 3gxd h GLN 169 CO 0.81 0.63 0.45 1.03 -1.93 0.00 0.00 178.83 179.82 3gxd s ARG 170 N -2.73 4.67 0.28 1.69 0.52 -1.26 -5.02 118.95 117.10 3gxd s ARG 170 Ca -0.01 1.71 -0.30 0.00 -0.52 0.00 0.00 55.73 56.61 3gxd s ARG 170 Cb 0.09 -3.23 -0.13 0.00 0.52 0.00 0.00 34.95 32.19 3gxd s ARG 170 CO 0.81 0.24 1.32 -2.30 0.02 0.00 0.00 175.30 175.39 3gxd n PRO 171 N 1.59 1.97 -4.35 3.54 -0.02 -1.26 -4.97 135.00 131.50 3gxd n PRO 171 Ca -0.00 0.70 -0.34 0.00 -2.02 0.00 0.00 63.50 61.84 3gxd n PRO 171 Cb 0.46 -2.29 -0.12 0.00 -0.02 0.00 0.00 33.50 31.53 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 -0.53 3.98 -0.07 -1.45 1.01 -1.26 -4.79 120.40 117.28 3gxd s VAL 172 Ca 0.63 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 62.18 3gxd s VAL 172 Cb -0.63 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 3gxd s VAL 172 CO 0.55 0.49 0.25 -0.44 0.00 0.00 0.00 175.10 175.95 3gxd s SER 173 N 0.40 6.56 -0.12 3.32 0.01 0.16 -4.95 113.70 119.08 3gxd s SER 173 Ca -0.03 0.67 -0.03 0.00 1.31 0.00 0.00 55.95 57.87 3gxd s SER 173 Cb -0.14 -2.14 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 3gxd s SER 173 CO 0.03 0.37 -0.01 -0.76 0.41 0.00 0.00 173.24 173.28 3gxd s LEU 174 N -1.03 3.47 -0.04 2.44 1.43 -1.26 -1.64 118.68 122.05 3gxd s LEU 174 Ca 0.19 0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.37 3gxd s LEU 174 Cb -0.14 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 3gxd s LEU 174 CO 0.08 0.28 -0.20 -0.22 0.23 0.00 0.00 176.35 176.52 3gxd s LEU 175 N -0.30 1.98 0.13 1.79 2.96 0.12 -1.02 118.68 124.32 3gxd s LEU 175 Ca 0.06 -0.39 0.10 0.00 -0.22 0.00 0.00 54.13 53.68 3gxd s LEU 175 Cb -0.12 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.45 3gxd s LEU 175 CO 0.02 0.19 -0.26 0.00 -1.32 0.00 0.00 176.35 174.99 3gxd s ALA 176 N -0.12 2.26 -0.21 5.97 0.00 -0.48 -0.80 121.76 128.38 3gxd s ALA 176 Ca -0.01 -1.43 -0.11 0.00 0.00 0.00 0.00 51.96 50.41 3gxd s ALA 176 Cb -0.11 -0.35 0.07 0.00 0.00 0.00 0.00 23.12 22.73 3gxd s ALA 176 CO 0.02 0.50 0.51 -1.12 0.00 0.00 0.00 175.76 175.67 3gxd s SER 177 N -2.05 -0.65 0.20 0.00 0.01 -1.13 -0.70 113.70 109.38 3gxd s SER 177 Ca 0.13 1.13 -0.16 0.00 1.31 0.00 0.00 55.95 58.35 3gxd s SER 177 Cb -0.10 1.11 -0.08 0.00 0.21 0.00 0.00 66.02 67.17 3gxd s SER 177 CO 0.06 -0.21 0.64 -2.16 0.41 0.00 0.00 173.24 171.97 3gxd s PRO 178 N 1.71 4.08 -0.22 12.44 0.04 -1.26 -0.78 135.00 151.01 3gxd s PRO 178 Ca -0.08 0.65 -0.19 0.00 0.04 0.00 0.00 61.00 61.41 3gxd s PRO 178 Cb -0.08 -2.85 -0.17 0.00 0.04 0.00 0.00 34.50 31.44 3gxd s PRO 178 CO -0.15 0.41 0.06 0.91 0.04 0.00 0.00 177.00 178.26 3gxd n TRP 179 N 0.62 0.77 -4.07 0.56 8.01 -1.26 0.22 117.44 122.29 3gxd n TRP 179 Ca -0.03 0.33 -0.08 0.00 -1.31 0.00 0.00 57.50 56.41 3gxd n TRP 179 Cb 0.52 -1.06 -0.10 0.00 -2.01 0.00 0.00 31.31 28.67 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 -2.40 0.18 0.43 -0.99 -1.32 -1.26 -3.24 115.64 107.04 3gxd s THR 180 Ca -0.31 -1.74 0.04 0.00 -1.21 0.00 0.00 61.69 58.48 3gxd s THR 180 Cb 0.08 -1.63 0.00 0.00 -1.51 0.00 0.00 72.50 69.44 3gxd s THR 180 CO 0.55 -0.81 0.61 -0.94 -2.21 0.00 0.00 174.62 171.82 3gxd s SER 181 N -2.94 5.73 0.09 8.08 1.04 -1.26 -4.98 113.70 119.46 3gxd s SER 181 Ca 0.11 -0.04 -0.25 0.00 0.48 0.00 0.00 55.95 56.25 3gxd s SER 181 Cb 0.07 -1.16 -0.14 0.00 0.10 0.00 0.00 66.02 64.90 3gxd s SER 181 CO -0.07 -0.72 0.56 -2.65 0.98 0.00 0.00 173.24 171.34 3gxd n PRO 182 N -1.95 0.00 0.10 4.02 -0.02 -1.26 -4.84 135.00 131.04 3gxd n PRO 182 Ca 0.03 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.64 3gxd n PRO 182 Cb 0.58 -0.91 0.45 0.00 -0.02 0.00 0.00 33.50 33.60 3gxd n PRO 182 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3gxd n THR 183 N 0.44 0.61 1.61 3.45 -2.24 -1.26 -2.22 114.28 114.68 3gxd n THR 183 Ca 0.14 -0.09 0.12 0.00 -2.27 0.00 0.00 64.05 61.96 3gxd n THR 183 Cb 0.14 -0.75 0.74 0.00 -2.10 0.00 0.00 70.33 68.36 3gxd n THR 183 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 3gxd n TRP 184 N -2.14 0.00 0.27 4.78 4.27 -1.26 -2.49 117.44 120.88 3gxd n TRP 184 Ca 0.05 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.76 3gxd n TRP 184 Cb 0.35 0.00 0.17 0.00 -1.36 0.00 0.00 31.31 30.48 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 -0.98 3.13 -4.90 5.67 4.77 -0.94 -4.95 117.00 118.79 3gxd n LEU 185 Ca 0.19 -1.48 -0.30 0.00 -0.03 0.00 0.00 56.01 54.38 3gxd n LEU 185 Cb 0.09 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 3gxd n LEU 185 CO 0.14 0.68 -0.16 -0.54 -1.33 0.00 0.00 177.39 176.18 3gxd s LYS 186 N -1.33 3.37 0.52 3.23 1.02 -1.04 -1.20 119.74 124.30 3gxd s LYS 186 Ca 0.32 -0.49 0.18 0.00 0.02 0.00 0.00 55.97 56.00 3gxd s LYS 186 Cb 0.19 -2.99 1.31 0.00 -0.52 0.00 0.00 37.83 35.82 3gxd s LYS 186 CO 0.26 0.59 2.14 1.79 -0.92 0.00 0.00 175.35 179.21 3gxd h THR 187 N 2.09 0.94 -0.09 2.17 1.35 0.07 -3.23 112.91 116.20 3gxd h THR 187 Ca -0.46 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3gxd h THR 187 Cb 1.16 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 3gxd h THR 187 CO 0.74 0.04 0.00 -0.46 -0.25 0.00 0.00 175.52 175.58 3gxd n ASN 188 N -4.37 2.38 -2.97 5.36 6.94 -1.26 -4.99 115.26 116.34 3gxd n ASN 188 Ca -0.03 -1.67 -0.22 0.00 -0.02 0.00 0.00 54.58 52.64 3gxd n ASN 188 Cb 0.12 -0.05 0.02 0.00 -2.36 0.00 0.00 39.78 37.51 3gxd n ASN 188 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gxd n GLY 189 N 0.83 -0.51 3.04 4.83 0.00 -1.22 -4.97 105.19 107.18 3gxd n GLY 189 Ca 0.10 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.07 -0.17 -0.86 4.61 0.00 -1.26 -4.90 121.76 116.12 3gxd s ALA 190 Ca 0.26 -0.18 0.14 0.00 0.00 0.00 0.00 51.96 52.18 3gxd s ALA 190 Cb -0.12 0.06 0.62 0.00 0.00 0.00 0.00 23.12 23.68 3gxd s ALA 190 CO 0.33 -0.16 1.45 1.33 0.00 0.00 0.00 175.76 178.71 3gxd n VAL 191 N 1.86 1.13 -2.01 0.00 0.24 -1.26 -4.86 118.33 113.43 3gxd n VAL 191 Ca -0.21 0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 3gxd n VAL 191 Cb 0.56 -1.15 0.00 0.00 -1.47 0.00 0.00 33.84 31.79 3gxd n VAL 191 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3gxd n ASN 192 N -1.68 0.00 -0.71 -1.34 6.94 -1.26 -2.91 115.26 114.29 3gxd n ASN 192 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.58 3gxd n ASN 192 Cb 0.15 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 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 0.00 -0.41 3.70 4.83 0.00 0.33 -4.71 105.19 108.93 3gxd n GLY 193 Ca 0.00 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 3gxd n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gxd s LYS 194 N 0.00 4.43 0.00 1.61 2.20 -1.15 -4.46 119.74 122.37 3gxd s LYS 194 Ca 0.00 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.24 3gxd s LYS 194 Cb 0.00 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 3gxd s LYS 194 CO 0.00 -0.29 0.00 0.41 -0.36 0.00 0.00 175.35 175.11 3gxd n GLY 195 N 3.19 3.76 0.70 5.54 0.00 -0.17 -4.62 105.19 113.59 3gxd n GLY 195 Ca 0.09 -0.32 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 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 2.12 -4.74 1.61 3.41 -1.26 -1.04 113.62 113.71 3gxd n SER 196 Ca 0.00 -1.43 -0.33 0.00 -0.26 0.00 0.00 58.87 56.85 3gxd n SER 196 Cb 0.00 0.08 0.07 0.00 -0.26 0.00 0.00 64.21 64.11 3gxd n SER 196 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gxd s LEU 197 N 0.00 3.32 0.11 1.04 1.43 -1.26 0.72 118.68 124.04 3gxd s LEU 197 Ca 0.00 2.16 -0.24 0.00 -1.03 0.00 0.00 54.13 55.02 3gxd s LEU 197 Cb 0.00 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.58 3gxd s LEU 197 CO 0.00 -1.99 0.74 -0.54 0.23 0.00 0.00 176.35 174.79 3gxd s LYS 198 N -4.06 4.49 4.83 1.70 1.02 -0.34 -4.50 119.74 122.87 3gxd s LYS 198 Ca 0.70 1.06 0.00 0.00 0.02 0.00 0.00 55.97 57.75 3gxd s LYS 198 Cb -0.24 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 3gxd s LYS 198 CO 0.44 0.49 0.00 0.41 -0.92 0.00 0.00 175.35 175.77 3gxd n GLY 199 N 1.87 0.35 3.03 -3.33 0.00 -1.26 -4.56 105.19 101.29 3gxd n GLY 199 Ca -0.05 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.96 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 0.61 0.20 1.61 2.00 -1.26 -5.06 119.66 117.76 3gxd s GLN 200 Ca 0.00 -0.46 -0.31 0.00 -2.00 0.00 0.00 55.36 52.60 3gxd s GLN 200 Cb 0.00 -0.55 -0.16 0.00 0.80 0.00 0.00 33.01 33.11 3gxd s GLN 200 CO 0.00 0.14 0.94 -2.30 -0.50 0.00 0.00 175.29 173.57 3gxd n PRO 201 N 2.39 0.83 0.00 1.67 -0.02 -1.26 0.10 135.00 138.71 3gxd n PRO 201 Ca -0.16 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3gxd n PRO 201 Cb 0.56 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 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 1.73 3.10 3.29 -1.23 0.00 -1.26 -5.05 105.19 105.76 3gxd n GLY 202 Ca 0.14 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 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 0.73 -0.43 0.24 1.61 5.68 0.11 -4.62 116.55 119.87 3gxd n ASP 203 Ca 0.00 -1.33 0.10 0.00 -0.50 0.00 0.00 54.79 53.06 3gxd n ASP 203 Cb 0.00 -0.89 0.61 0.00 -1.14 0.00 0.00 41.12 39.70 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 -1.91 0.73 0.23 2.12 2.10 -1.93 0.10 117.51 118.96 3gxd h ILE 204 Ca -0.37 -0.76 -0.01 0.00 1.08 0.00 0.00 64.86 64.80 3gxd h ILE 204 Cb 1.05 1.47 0.00 0.00 -1.09 0.00 0.00 36.82 38.25 3gxd h ILE 204 CO 0.26 0.18 -0.11 1.88 -1.08 0.00 0.00 178.15 179.27 3gxd h TYR 205 N 0.00 -0.29 -0.67 2.19 -1.99 -1.91 -0.59 116.97 113.71 3gxd h TYR 205 Ca -0.00 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 60.80 3gxd h TYR 205 Cb 0.45 0.10 -0.06 0.00 2.00 0.00 0.00 36.73 39.21 3gxd h TYR 205 CO 0.00 0.07 0.34 0.45 -0.00 0.00 0.00 178.16 179.02 3gxd h HIS 206 N -0.92 0.61 -0.01 4.88 3.86 -1.78 0.06 115.15 121.85 3gxd h HIS 206 Ca -0.03 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.22 3gxd h HIS 206 Cb 0.50 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 3gxd h HIS 206 CO 0.06 0.24 -0.07 1.96 0.86 0.00 0.00 177.93 180.98 3gxd h GLN 207 N 0.60 -0.12 -0.81 2.45 1.08 -0.82 -0.80 115.11 116.69 3gxd h GLN 207 Ca 0.32 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.56 3gxd h GLN 207 Cb 0.30 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.71 3gxd h GLN 207 CO -0.24 -0.08 0.52 1.15 -0.95 0.00 0.00 178.83 179.23 3gxd h THR 208 N -0.12 1.13 0.23 -0.54 2.02 -0.83 -0.24 112.91 114.56 3gxd h THR 208 Ca 0.03 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 3gxd h THR 208 Cb 0.17 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 3gxd h THR 208 CO -0.09 0.19 -0.14 -0.25 0.37 0.00 0.00 175.52 175.60 3gxd h TRP 209 N 1.02 -0.36 -0.94 3.16 -0.00 -0.79 -1.47 115.95 116.56 3gxd h TRP 209 Ca 0.32 -0.00 0.12 0.00 -0.00 0.00 0.00 58.89 59.33 3gxd h TRP 209 Cb -0.00 0.13 -0.08 0.00 -0.00 0.00 0.00 29.16 29.21 3gxd h TRP 209 CO -0.03 -0.22 0.60 0.00 -0.00 0.00 0.00 178.44 178.80 3gxd h ALA 210 N 0.41 1.65 -0.09 2.65 0.00 -0.75 -0.27 119.26 122.86 3gxd h ALA 210 Ca -0.02 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3gxd h ALA 210 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3gxd h ALA 210 CO 0.02 0.12 -0.18 -0.09 0.00 0.00 0.00 179.25 179.12 3gxd h ARG 211 N 0.87 0.14 -0.54 0.00 2.43 -0.25 -2.68 114.38 114.36 3gxd h ARG 211 Ca 0.46 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.58 3gxd h ARG 211 Cb 0.54 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 3gxd h ARG 211 CO -0.22 0.33 0.28 -0.92 -1.51 0.00 0.00 179.97 177.93 3gxd h TYR 212 N 0.14 0.72 -0.61 2.20 3.20 -0.04 0.12 116.97 122.70 3gxd h TYR 212 Ca 0.03 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.91 3gxd h TYR 212 Cb 0.40 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 3gxd h TYR 212 CO 0.00 0.52 0.38 0.74 -1.64 0.00 0.00 178.16 178.16 3gxd h PHE 213 N 0.75 0.72 -0.11 -3.82 -1.00 -1.40 -0.98 116.94 111.10 3gxd h PHE 213 Ca 0.19 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.97 3gxd h PHE 213 Cb 0.04 -0.24 -0.00 0.00 3.61 0.00 0.00 35.95 39.36 3gxd h PHE 213 CO 0.00 0.42 0.00 0.28 -1.61 0.00 0.00 178.31 177.41 3gxd h VAL 214 N 0.76 1.25 -0.67 -0.55 2.07 -1.22 -2.23 116.25 115.66 3gxd h VAL 214 Ca 0.24 -0.79 0.05 0.00 0.82 0.00 0.00 66.70 67.02 3gxd h VAL 214 Cb -0.01 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3gxd h VAL 214 CO -0.09 0.23 0.44 0.11 0.02 0.00 0.00 177.57 178.28 3gxd h LYS 215 N -0.07 0.72 0.36 1.57 1.79 -0.61 0.53 116.57 120.85 3gxd h LYS 215 Ca 0.03 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 3gxd h LYS 215 Cb 0.35 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 3gxd h LYS 215 CO 0.01 0.48 -0.24 0.35 -1.08 0.00 0.00 179.45 178.97 3gxd h PHE 216 N 0.74 -0.62 -0.82 -1.35 3.57 -1.05 -0.47 116.94 116.94 3gxd h PHE 216 Ca 0.28 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.78 3gxd h PHE 216 Cb 0.16 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 3gxd h PHE 216 CO -0.00 -0.36 0.54 -0.07 -2.23 0.00 0.00 178.31 176.19 3gxd h LEU 217 N -0.58 0.94 -0.19 0.59 3.38 -0.45 -0.43 115.31 118.58 3gxd h LEU 217 Ca -0.03 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.97 3gxd h LEU 217 Cb 0.49 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 3gxd h LEU 217 CO 0.02 0.68 -0.20 0.44 0.09 0.00 0.00 178.44 179.48 3gxd h ASP 218 N 1.11 -0.62 -0.34 -0.43 3.32 -0.01 0.84 116.42 120.29 3gxd h ASP 218 Ca 0.30 0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.51 3gxd h ASP 218 Cb -0.12 0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 3gxd h ASP 218 CO -0.07 -0.24 0.11 0.00 -1.72 0.00 0.00 179.24 177.32 3gxd h ALA 219 N 0.84 0.39 -0.04 3.45 0.00 0.20 -1.76 119.26 122.33 3gxd h ALA 219 Ca 0.12 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 3gxd h ALA 219 Cb 0.40 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3gxd h ALA 219 CO -0.32 -0.29 -0.59 1.88 0.00 0.00 0.00 179.25 179.93 3gxd h TYR 220 N 0.25 0.19 -0.54 0.00 -1.99 -1.09 -2.80 116.97 111.00 3gxd h TYR 220 Ca 0.15 -0.07 0.04 0.00 2.00 0.00 0.00 58.73 60.85 3gxd h TYR 220 Cb 0.13 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 38.79 3gxd h TYR 220 CO -0.14 0.70 0.30 0.00 -0.00 0.00 0.00 178.16 179.01 3gxd h ALA 221 N 1.28 0.69 0.00 3.88 0.00 -0.28 0.32 119.26 125.15 3gxd h ALA 221 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gxd h ALA 221 Cb 1.08 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3gxd h ALA 221 CO 0.09 -0.03 -0.04 0.93 0.00 0.00 0.00 179.25 180.20 3gxd h GLU 222 N 0.57 0.00 -0.64 0.00 5.08 -1.06 2.38 114.58 120.92 3gxd h GLU 222 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3gxd h GLU 222 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3gxd h GLU 222 CO -0.14 0.04 0.00 0.72 -1.00 0.00 0.00 179.01 178.64 3gxd n HIS 223 N -3.41 1.10 -3.65 4.33 8.25 -0.82 -4.92 115.22 116.10 3gxd n HIS 223 Ca -0.02 -0.42 -0.24 0.00 -0.26 0.00 0.00 57.72 56.78 3gxd n HIS 223 Cb 0.16 -0.23 0.07 0.00 1.12 0.00 0.00 29.99 31.11 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 0.60 -7.00 -5.12 -0.41 5.02 0.80 -5.02 118.16 107.03 3gxd n LYS 224 Ca 0.17 0.77 -0.32 0.00 -2.02 0.00 0.00 58.31 56.91 3gxd n LYS 224 Cb 0.70 -5.75 -0.15 0.00 -0.02 0.00 0.00 35.03 29.82 3gxd n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gxd s LEU 225 N -7.10 2.36 0.01 -0.35 1.43 0.11 -4.97 118.68 110.16 3gxd s LEU 225 Ca 0.46 -0.35 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 3gxd s LEU 225 Cb -0.21 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 3gxd s LEU 225 CO 0.76 0.33 -0.16 -1.10 0.23 0.00 0.00 176.35 176.41 3gxd s GLN 226 N -0.63 1.16 -0.05 1.70 -1.52 -1.26 -2.77 119.66 116.30 3gxd s GLN 226 Ca 0.10 -0.68 -0.13 0.00 -1.95 0.00 0.00 55.36 52.70 3gxd s GLN 226 Cb -0.11 -1.16 -0.05 0.00 -0.22 0.00 0.00 33.01 31.47 3gxd s GLN 226 CO -0.00 0.31 0.33 -0.06 -0.25 0.00 0.00 175.29 175.62 3gxd s PHE 227 N -0.58 3.67 0.05 0.91 0.40 -1.26 -4.54 117.98 116.62 3gxd s PHE 227 Ca 0.05 0.84 -0.21 0.00 -0.60 0.00 0.00 56.93 57.01 3gxd s PHE 227 Cb -0.07 -2.21 -0.13 0.00 0.51 0.00 0.00 43.02 41.12 3gxd s PHE 227 CO 0.00 0.63 1.45 2.35 0.70 0.00 0.00 175.22 180.35 3gxd h TRP 228 N 4.98 0.29 -3.30 0.36 7.01 -1.43 -3.42 115.95 120.44 3gxd h TRP 228 Ca -0.51 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 60.40 3gxd h TRP 228 Cb 1.22 -0.07 -0.11 0.00 -2.10 0.00 0.00 29.16 28.10 3gxd h TRP 228 CO 0.71 0.53 0.03 0.00 -2.79 0.00 0.00 178.44 176.92 3gxd s ALA 229 N -4.81 -0.98 0.10 2.65 0.00 -1.02 -2.26 121.76 115.44 3gxd s ALA 229 Ca -0.14 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 51.74 3gxd s ALA 229 Cb 0.05 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 3gxd s ALA 229 CO 0.72 -0.78 -0.20 0.14 0.00 0.00 0.00 175.76 175.64 3gxd s VAL 230 N -3.86 1.63 0.18 0.00 -7.23 -0.59 -1.38 120.40 109.16 3gxd s VAL 230 Ca 0.08 -1.53 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 3gxd s VAL 230 Cb -0.01 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 3gxd s VAL 230 CO -0.05 -0.09 0.34 0.42 -0.31 0.00 0.00 175.10 175.41 3gxd s THR 231 N -1.21 5.26 0.44 5.32 -4.23 0.12 -0.85 115.64 120.49 3gxd s THR 231 Ca 0.06 -0.54 0.22 0.00 -1.18 0.00 0.00 61.69 60.25 3gxd s THR 231 Cb -0.10 -3.75 0.25 0.00 1.34 0.00 0.00 72.50 70.25 3gxd s THR 231 CO 0.04 -0.15 2.05 0.00 -0.54 0.00 0.00 174.62 176.02 3gxd h ALA 232 N 2.01 1.45 0.00 3.99 0.00 -1.67 -3.41 119.26 121.64 3gxd h ALA 232 Ca -0.48 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3gxd h ALA 232 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3gxd h ALA 232 CO 0.68 0.18 0.00 -1.91 0.00 0.00 0.00 179.25 178.19 3gxd n GLU 233 N -3.91 0.00 -2.19 0.00 4.07 -1.26 -4.90 120.64 112.44 3gxd n GLU 233 Ca -0.02 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.69 3gxd n GLU 233 Cb 0.23 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.60 3gxd n GLU 233 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 3gxd s ASN 234 N 0.00 6.44 0.00 4.31 2.47 0.60 -4.18 114.94 124.59 3gxd s ASN 234 Ca 0.00 2.48 0.00 0.00 0.42 0.00 0.00 52.86 55.76 3gxd s ASN 234 Cb 0.00 -2.63 0.00 0.00 -1.45 0.00 0.00 41.25 37.17 3gxd s ASN 234 CO 0.00 -0.74 0.00 -0.62 -3.72 0.00 0.00 177.10 172.02 3gxd n GLU 235 N 0.12 0.00 0.05 0.43 1.02 -0.46 -4.78 120.64 117.02 3gxd n GLU 235 Ca 0.04 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.34 3gxd n GLU 235 Cb 0.45 0.00 0.65 0.00 -0.02 0.00 0.00 31.44 32.52 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 0.68 0.07 0.00 3.49 0.13 -1.77 -2.35 132.00 132.25 3gxd h PRO 236 Ca 0.00 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 3gxd h PRO 236 Cb 0.00 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.11 3gxd h PRO 236 CO 0.00 0.04 -0.22 0.66 -0.23 0.00 0.00 178.00 178.26 3gxd h SER 237 N 0.07 0.00 -0.33 1.44 4.64 -1.88 -2.72 113.55 114.78 3gxd h SER 237 Ca 0.20 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 3gxd h SER 237 Cb 0.69 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 3gxd h SER 237 CO -0.01 0.22 0.16 0.00 -0.87 0.00 0.00 176.83 176.32 3gxd h ALA 238 N 1.78 1.58 0.00 5.18 0.00 -1.77 -2.16 119.26 123.87 3gxd h ALA 238 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3gxd h ALA 238 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3gxd h ALA 238 CO 0.03 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.02 3gxd n GLY 239 N -1.23 -0.67 1.39 0.00 0.00 -1.18 -1.17 105.19 102.33 3gxd n GLY 239 Ca 0.02 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.03 4.82 -4.15 0.99 4.77 -0.81 -1.00 117.00 120.60 3gxd n LEU 240 Ca 0.15 -2.99 -0.33 0.00 -0.03 0.00 0.00 56.01 52.80 3gxd n LEU 240 Cb 0.08 -0.62 -0.15 0.00 -2.33 0.00 0.00 43.42 40.40 3gxd n LEU 240 CO 0.12 0.66 -0.45 -0.76 -1.33 0.00 0.00 177.39 175.62 3gxd s LEU 241 N -2.81 3.00 -0.12 2.23 1.02 -0.32 -4.99 118.68 116.69 3gxd s LEU 241 Ca 0.49 -0.96 -0.40 0.00 0.02 0.00 0.00 54.13 53.27 3gxd s LEU 241 Cb 0.38 -1.59 -0.18 0.00 0.02 0.00 0.00 46.19 44.82 3gxd s LEU 241 CO 0.12 -0.11 1.41 -1.54 0.02 0.00 0.00 176.35 176.25 3gxd n SER 242 N 4.59 1.34 -2.76 2.29 3.41 -1.26 -1.07 113.62 120.15 3gxd n SER 242 Ca -0.17 1.13 -0.20 0.00 -0.26 0.00 0.00 58.87 59.37 3gxd n SER 242 Cb 0.46 -1.06 0.04 0.00 -0.26 0.00 0.00 64.21 63.40 3gxd n SER 242 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gxd n GLY 243 N 2.92 -0.36 3.69 5.00 0.00 -1.26 -4.78 105.19 110.41 3gxd n GLY 243 Ca 0.23 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 3gxd n GLY 243 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gxd s TYR 244 N -3.14 2.64 -0.18 1.61 5.04 -0.23 -4.80 117.35 118.29 3gxd s TYR 244 Ca 0.32 0.49 0.16 0.00 -2.44 0.00 0.00 57.07 55.60 3gxd s TYR 244 Cb -0.14 -3.88 0.07 0.00 0.35 0.00 0.00 41.96 38.36 3gxd s TYR 244 CO 0.39 -3.45 1.42 -1.00 -1.34 0.00 0.00 175.55 171.57 3gxd h PRO 245 N 7.93 0.00 -6.76 4.97 0.13 -1.93 0.96 132.00 137.32 3gxd h PRO 245 Ca -0.42 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.24 3gxd h PRO 245 Cb 1.20 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.36 3gxd h PRO 245 CO 0.92 0.44 -0.04 -0.06 -0.23 0.00 0.00 178.00 179.03 3gxd s PHE 246 N -2.98 3.37 -0.37 1.56 2.99 -1.26 -4.80 117.98 116.49 3gxd s PHE 246 Ca 0.04 0.44 -0.40 0.00 0.00 0.00 0.00 56.93 57.01 3gxd s PHE 246 Cb 0.07 -2.26 -0.15 0.00 0.00 0.00 0.00 43.02 40.68 3gxd s PHE 246 CO 0.74 -0.28 1.98 1.04 -0.00 0.00 0.00 175.22 178.70 3gxd n GLN 247 N -2.11 0.78 -3.58 0.44 3.00 -1.25 -4.39 117.38 110.27 3gxd n GLN 247 Ca -0.00 0.25 -0.16 0.00 -0.01 0.00 0.00 57.00 57.08 3gxd n GLN 247 Cb 0.57 -2.04 -0.05 0.00 0.00 0.00 0.00 30.24 28.71 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 0.00 -0.80 0.04 0.00 2.96 -1.20 -4.35 118.68 115.33 3gxd s LEU 249 Ca 0.17 0.44 -0.30 0.00 -0.22 0.00 0.00 54.13 54.21 3gxd s LEU 249 Cb 0.01 1.65 -0.05 0.00 0.50 0.00 0.00 46.19 48.29 3gxd s LEU 249 CO 0.12 -0.15 1.17 -0.83 -1.32 0.00 0.00 176.35 175.34 3gxd s GLY 250 N 2.92 2.44 -0.05 7.98 0.00 -0.21 -4.53 107.32 115.86 3gxd s GLY 250 Ca 0.09 0.78 0.01 0.00 0.00 0.00 0.00 44.72 45.60 3gxd s GLY 250 CO -0.16 2.02 -0.06 -1.36 0.00 0.00 0.00 173.10 173.54 3gxd s PHE 251 N 1.19 0.89 0.70 1.90 0.40 -1.03 -4.36 117.98 117.68 3gxd s PHE 251 Ca 0.58 -0.28 -0.12 0.00 -0.60 0.00 0.00 56.93 56.51 3gxd s PHE 251 Cb -0.28 -0.75 0.02 0.00 0.51 0.00 0.00 43.02 42.52 3gxd s PHE 251 CO 0.28 -0.21 1.08 0.95 0.70 0.00 0.00 175.22 178.02 3gxd s THR 252 N 0.90 3.60 0.25 0.64 -4.23 -1.26 -4.30 115.64 111.23 3gxd s THR 252 Ca -0.11 0.59 -0.04 0.00 -1.18 0.00 0.00 61.69 60.95 3gxd s THR 252 Cb -0.15 -3.16 0.23 0.00 1.34 0.00 0.00 72.50 70.77 3gxd s THR 252 CO 0.01 -0.61 1.70 1.55 -0.54 0.00 0.00 174.62 176.73 3gxd h PRO 253 N -0.59 0.34 -0.12 3.99 0.13 -1.98 0.41 132.00 134.18 3gxd h PRO 253 Ca -0.45 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3gxd h PRO 253 Cb 1.23 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3gxd h PRO 253 CO 0.54 0.22 0.07 0.93 -0.23 0.00 0.00 178.00 179.53 3gxd h GLU 254 N 0.35 0.14 -0.64 0.86 3.07 -1.92 -1.32 114.58 115.11 3gxd h GLU 254 Ca 0.43 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.23 3gxd h GLU 254 Cb 0.71 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.56 3gxd h GLU 254 CO -0.47 0.09 0.20 1.25 -1.40 0.00 0.00 179.01 178.68 3gxd h HIS 255 N 0.14 1.00 -0.34 4.33 2.76 -1.77 -2.33 115.15 118.95 3gxd h HIS 255 Ca 0.05 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.11 3gxd h HIS 255 Cb -0.00 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.65 3gxd h HIS 255 CO -0.08 0.80 0.13 0.37 -1.30 0.00 0.00 177.93 177.85 3gxd h GLN 256 N 0.94 0.50 -0.56 5.26 4.15 0.50 -0.67 115.11 125.24 3gxd h GLN 256 Ca 0.21 -0.09 0.11 0.00 0.77 0.00 0.00 58.65 59.65 3gxd h GLN 256 Cb 0.27 -0.08 -0.09 0.00 0.21 0.00 0.00 27.48 27.78 3gxd h GLN 256 CO -0.01 0.50 -0.01 -0.09 -1.93 0.00 0.00 178.83 177.29 3gxd h ARG 257 N 0.40 0.10 -0.19 1.69 2.43 -1.23 0.33 114.38 117.91 3gxd h ARG 257 Ca 0.11 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.11 3gxd h ARG 257 Cb 0.19 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3gxd h ARG 257 CO -0.01 0.07 -0.57 -0.44 -1.51 0.00 0.00 179.97 177.51 3gxd h ASP 258 N 0.10 0.67 -0.22 -3.80 3.32 -1.08 -1.41 116.42 114.00 3gxd h ASP 258 Ca 0.29 -0.36 -0.13 0.00 0.02 0.00 0.00 57.03 56.84 3gxd h ASP 258 Cb 0.45 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3gxd h ASP 258 CO -0.48 1.09 -0.33 0.15 -1.72 0.00 0.00 179.24 177.94 3gxd h PHE 259 N 0.45 0.87 -0.27 4.55 3.57 -0.70 -1.22 116.94 124.20 3gxd h PHE 259 Ca 0.00 -0.23 -0.01 0.00 3.53 0.00 0.00 57.97 61.26 3gxd h PHE 259 Cb 1.12 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 3gxd h PHE 259 CO 0.05 0.97 0.11 0.82 -2.23 0.00 0.00 178.31 178.03 3gxd h ILE 260 N 0.62 1.17 0.04 1.41 2.04 -0.02 -0.77 117.51 122.00 3gxd h ILE 260 Ca 0.07 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 3gxd h ILE 260 Cb 0.86 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 3gxd h ILE 260 CO 0.08 0.17 -0.02 0.00 0.00 0.00 0.00 178.15 178.38 3gxd h ALA 261 N 0.96 -0.05 0.09 1.87 0.00 -1.13 0.13 119.26 121.13 3gxd h ALA 261 Ca 0.09 -0.09 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 3gxd h ALA 261 Cb 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3gxd h ALA 261 CO -0.01 -0.45 -1.55 0.00 0.00 0.00 0.00 179.25 177.24 3gxd h ARG 262 N -0.21 0.20 0.00 0.00 2.47 -1.29 -3.39 114.38 112.16 3gxd h ARG 262 Ca -0.01 -0.34 0.00 0.00 -1.26 0.00 0.00 59.98 58.38 3gxd h ARG 262 Cb 0.19 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 3gxd h ARG 262 CO 0.01 1.03 -0.01 -0.25 0.56 0.00 0.00 179.97 181.31 3gxd n ASP 263 N -3.39 0.32 -0.14 7.04 8.00 -1.00 -4.70 116.55 122.67 3gxd n ASP 263 Ca -0.16 0.04 -0.08 0.00 0.71 0.00 0.00 54.79 55.29 3gxd n ASP 263 Cb 1.04 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 42.03 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 -0.01 0.55 0.80 0.64 5.85 -1.15 -2.02 115.31 119.96 3gxd h LEU 264 Ca 0.00 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 3gxd h LEU 264 Cb 0.01 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 40.91 3gxd h LEU 264 CO 0.00 0.50 -0.38 1.23 -0.34 0.00 0.00 178.44 179.44 3gxd h GLY 265 N 0.55 -1.12 0.24 3.75 0.00 -0.94 -2.50 103.07 103.05 3gxd h GLY 265 Ca 0.15 0.41 0.06 0.00 0.00 0.00 0.00 47.33 47.96 3gxd h GLY 265 CO -0.02 -0.41 -0.18 -2.55 0.00 0.00 0.00 176.54 173.38 3gxd h PRO 266 N -1.11 -0.16 -0.46 4.80 0.11 -1.75 -1.67 132.00 131.76 3gxd h PRO 266 Ca -0.11 0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.07 3gxd h PRO 266 Cb 0.82 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.92 3gxd h PRO 266 CO 0.18 -0.11 0.16 1.15 -0.21 0.00 0.00 178.00 179.17 3gxd h THR 267 N -0.17 0.85 -0.63 -1.15 2.02 -1.42 1.36 112.91 113.77 3gxd h THR 267 Ca 0.14 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 67.13 3gxd h THR 267 Cb 0.38 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3gxd h THR 267 CO -0.36 0.06 0.11 -0.07 0.37 0.00 0.00 175.52 175.63 3gxd h LEU 268 N 0.33 1.00 -0.42 2.58 3.38 -1.24 -2.95 115.31 118.00 3gxd h LEU 268 Ca 0.22 -0.26 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 3gxd h LEU 268 Cb 0.22 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3gxd h LEU 268 CO -0.22 1.00 -0.52 0.00 0.09 0.00 0.00 178.44 178.79 3gxd h ALA 269 N 1.04 0.59 0.00 1.53 0.00 -0.16 -1.99 119.26 120.27 3gxd h ALA 269 Ca 0.19 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3gxd h ALA 269 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3gxd h ALA 269 CO 0.01 0.68 0.00 -1.71 0.00 0.00 0.00 179.25 178.23 3gxd n ASN 270 N -4.00 0.59 -4.42 0.00 5.15 0.45 -4.66 115.26 108.38 3gxd n ASN 270 Ca -0.03 -1.75 -0.21 0.00 -0.60 0.00 0.00 54.58 51.98 3gxd n ASN 270 Cb 0.60 -0.29 -0.10 0.00 -0.53 0.00 0.00 39.78 39.45 3gxd n ASN 270 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3gxd s SER 271 N -0.45 2.49 0.00 1.20 1.04 -0.75 -5.00 113.70 112.23 3gxd s SER 271 Ca 0.00 -1.25 0.16 0.00 0.48 0.00 0.00 55.95 55.33 3gxd s SER 271 Cb 0.00 -0.11 0.88 0.00 0.10 0.00 0.00 66.02 66.89 3gxd s SER 271 CO 0.00 -0.46 1.39 0.35 0.98 0.00 0.00 173.24 175.51 3gxd n THR 272 N -0.59 0.23 -1.47 2.02 -2.24 -1.26 -2.33 114.28 108.65 3gxd n THR 272 Ca -0.04 0.06 -0.15 0.00 -2.27 0.00 0.00 64.05 61.64 3gxd n THR 272 Cb 0.64 -0.81 0.16 0.00 -2.10 0.00 0.00 70.33 68.23 3gxd n THR 272 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3gxd n HIS 273 N -1.11 1.98 0.32 4.78 8.25 -1.26 -4.70 115.22 123.47 3gxd n HIS 273 Ca 0.10 -1.93 0.19 0.00 -0.26 0.00 0.00 57.72 55.82 3gxd n HIS 273 Cb 0.08 -0.70 1.07 0.00 1.12 0.00 0.00 29.99 31.56 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 1.27 0.00 0.00 4.41 -0.00 -1.44 -1.89 115.15 117.50 3gxd h HIS 274 Ca 0.38 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.70 3gxd h HIS 274 Cb 1.79 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 29.19 3gxd h HIS 274 CO 1.20 0.00 -0.24 -0.91 -0.00 0.00 0.00 177.93 177.98 3gxd h ASN 275 N 0.00 0.00 -3.75 3.10 2.35 -1.87 -3.45 115.58 111.96 3gxd h ASN 275 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 3gxd h ASN 275 Cb 0.02 0.00 0.09 0.00 0.05 0.00 0.00 38.32 38.48 3gxd h ASN 275 CO -0.00 0.24 0.77 -0.69 -1.65 0.00 0.00 177.43 176.09 3gxd s VAL 276 N -3.30 2.28 0.44 2.81 1.01 -0.71 -5.00 120.40 117.92 3gxd s VAL 276 Ca 0.03 0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.30 3gxd s VAL 276 Cb 0.08 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.29 3gxd s VAL 276 CO 0.67 0.06 0.64 -0.13 0.00 0.00 0.00 175.10 176.34 3gxd s ARG 277 N -1.52 3.00 -0.06 2.72 1.81 -0.96 -4.93 118.95 119.00 3gxd s ARG 277 Ca 0.55 -0.65 0.05 0.00 -1.72 0.00 0.00 55.73 53.95 3gxd s ARG 277 Cb -0.45 -2.61 -0.00 0.00 -0.45 0.00 0.00 34.95 31.44 3gxd s ARG 277 CO 0.56 -0.27 -0.21 -1.17 -0.68 0.00 0.00 175.30 173.53 3gxd s LEU 278 N -4.50 1.99 -0.11 2.53 2.96 -1.26 -1.53 118.68 118.75 3gxd s LEU 278 Ca 0.49 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.93 3gxd s LEU 278 Cb -0.10 -1.22 -0.03 0.00 0.50 0.00 0.00 46.19 45.35 3gxd s LEU 278 CO 0.36 0.18 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.74 3gxd s LEU 279 N 0.09 3.07 0.58 -0.68 1.43 -0.03 -2.12 118.68 121.02 3gxd s LEU 279 Ca -0.08 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3gxd s LEU 279 Cb -0.14 -1.70 0.06 0.00 0.03 0.00 0.00 46.19 44.44 3gxd s LEU 279 CO 0.05 0.25 0.81 0.00 0.23 0.00 0.00 176.35 177.68 3gxd s MET 280 N -0.11 2.33 0.00 1.70 0.23 -0.06 -1.69 119.30 121.70 3gxd s MET 280 Ca 0.01 -1.00 0.00 0.00 -1.03 0.00 0.00 55.69 53.67 3gxd s MET 280 Cb -0.13 -2.49 0.00 0.00 -1.53 0.00 0.00 34.83 30.68 3gxd s MET 280 CO 0.03 -0.87 0.00 -0.11 -2.03 0.00 0.00 175.02 172.04 3gxd n LEU 281 N -2.41 0.00 -4.06 0.18 7.94 -1.26 -1.09 117.00 116.31 3gxd n LEU 281 Ca 0.10 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.67 3gxd n LEU 281 Cb 0.60 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.52 3gxd n LEU 281 CO 0.43 0.00 -0.27 -0.67 -1.11 0.00 0.00 177.39 175.77 3gxd n ASP 282 N 2.59 -1.61 -2.08 1.96 -0.08 -0.42 -4.39 116.55 112.52 3gxd n ASP 282 Ca 0.00 -1.17 -0.07 0.00 -1.51 0.00 0.00 54.79 52.04 3gxd n ASP 282 Cb 0.00 -2.31 -0.01 0.00 2.34 0.00 0.00 41.12 41.14 3gxd n ASP 282 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3gxd n ASP 283 N -2.70 -0.89 -4.70 1.67 -0.08 -1.11 -1.35 116.55 107.39 3gxd n ASP 283 Ca -0.23 -2.01 -0.42 0.00 -1.51 0.00 0.00 54.79 50.61 3gxd n ASP 283 Cb 0.65 1.59 -0.03 0.00 2.34 0.00 0.00 41.12 45.67 3gxd n ASP 283 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 3gxd s GLN 284 N -2.35 4.16 0.59 -0.67 -1.52 -1.26 -0.34 119.66 118.27 3gxd s GLN 284 Ca 0.14 2.49 0.30 0.00 -1.95 0.00 0.00 55.36 56.34 3gxd s GLN 284 Cb -0.01 -3.47 1.35 0.00 -0.22 0.00 0.00 33.01 30.66 3gxd s GLN 284 CO 0.10 -0.77 1.70 0.07 -0.25 0.00 0.00 175.29 176.15 3gxd h ARG 285 N 8.03 0.00 -1.13 2.91 0.11 -1.75 0.18 114.38 122.73 3gxd h ARG 285 Ca -0.44 0.00 0.33 0.00 0.10 0.00 0.00 59.98 59.97 3gxd h ARG 285 Cb 1.21 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.24 3gxd h ARG 285 CO 0.94 0.00 0.81 1.25 0.10 0.00 0.00 179.97 183.07 3gxd h LEU 286 N 0.00 0.01 0.00 0.08 5.85 -1.90 -0.92 115.31 118.43 3gxd h LEU 286 Ca 0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.10 3gxd h LEU 286 Cb 1.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.98 3gxd h LEU 286 CO -0.00 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.28 3gxd n LEU 287 N -4.20 0.00 -4.70 2.25 4.77 0.05 -4.78 117.00 110.39 3gxd n LEU 287 Ca 0.24 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.92 3gxd n LEU 287 Cb 1.19 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 42.20 3gxd n LEU 287 CO 0.40 0.00 -0.32 -0.76 -1.33 0.00 0.00 177.39 175.38 3gxd s LEU 288 N -1.79 3.52 0.33 2.23 1.43 -0.35 -1.43 118.68 122.63 3gxd s LEU 288 Ca 0.26 -0.11 0.17 0.00 -1.03 0.00 0.00 54.13 53.41 3gxd s LEU 288 Cb 0.12 -2.19 0.48 0.00 0.03 0.00 0.00 46.19 44.62 3gxd s LEU 288 CO 0.20 0.20 1.64 -0.65 0.23 0.00 0.00 176.35 177.96 3gxd h PRO 289 N 3.64 0.00 -0.89 1.29 0.11 -1.79 -3.43 132.00 130.94 3gxd h PRO 289 Ca -0.48 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.79 3gxd h PRO 289 Cb 1.17 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.12 3gxd h PRO 289 CO 0.60 0.45 -0.32 1.25 -0.21 0.00 0.00 178.00 179.76 3gxd h HIS 290 N 0.00 -0.85 -0.87 0.65 2.76 -1.93 0.74 115.15 115.65 3gxd h HIS 290 Ca -0.00 0.09 0.01 0.00 -2.20 0.00 0.00 60.37 58.27 3gxd h HIS 290 Cb 1.07 0.51 -0.04 0.00 1.55 0.00 0.00 27.41 30.49 3gxd h HIS 290 CO 0.00 -0.40 0.58 -1.49 -1.30 0.00 0.00 177.93 175.32 3gxd h TRP 291 N -0.03 1.10 0.00 5.26 4.06 -1.61 0.13 115.95 124.86 3gxd h TRP 291 Ca 0.36 0.03 -0.17 0.00 2.06 0.00 0.00 58.89 61.17 3gxd h TRP 291 Cb 0.61 -0.37 -0.02 0.00 -1.00 0.00 0.00 29.16 28.38 3gxd h TRP 291 CO -0.77 0.69 -0.79 0.00 -3.56 0.00 0.00 178.44 174.01 3gxd h ALA 292 N 1.46 0.54 -0.09 1.49 0.00 -1.35 -1.97 119.26 119.33 3gxd h ALA 292 Ca 0.32 -0.72 0.04 0.00 0.00 0.00 0.00 54.91 54.55 3gxd h ALA 292 Cb -0.13 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3gxd h ALA 292 CO -0.07 0.99 -0.15 0.87 0.00 0.00 0.00 179.25 180.89 3gxd h LYS 293 N 0.00 -0.19 -0.50 0.00 1.57 0.13 0.69 116.57 118.27 3gxd h LYS 293 Ca -0.01 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3gxd h LYS 293 Cb 1.55 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.88 3gxd h LYS 293 CO 0.10 -0.13 0.12 0.28 -0.57 0.00 0.00 179.45 179.26 3gxd h VAL 294 N -0.20 1.24 0.14 0.50 2.07 -0.79 -2.65 116.25 116.56 3gxd h VAL 294 Ca 0.08 -0.84 -0.20 0.00 0.82 0.00 0.00 66.70 66.56 3gxd h VAL 294 Cb 0.31 0.83 0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3gxd h VAL 294 CO -0.21 0.30 -0.85 0.58 0.02 0.00 0.00 177.57 177.41 3gxd h VAL 295 N 0.69 1.49 0.00 2.57 2.07 -1.31 -3.39 116.25 118.37 3gxd h VAL 295 Ca 0.16 -2.52 -0.19 0.00 0.82 0.00 0.00 66.70 64.97 3gxd h VAL 295 Cb 0.33 3.14 -0.03 0.00 -1.52 0.00 0.00 31.29 33.21 3gxd h VAL 295 CO 0.00 0.72 -0.98 -0.07 0.02 0.00 0.00 177.57 177.26 3gxd h LEU 296 N -0.31 0.00 -0.69 2.57 3.38 -0.92 -3.05 115.31 116.28 3gxd h LEU 296 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3gxd h LEU 296 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 3gxd h LEU 296 CO 0.16 0.86 0.00 0.35 0.09 0.00 0.00 178.44 179.91 3gxd n THR 297 N -3.27 1.34 -3.18 0.22 -2.24 -1.00 -4.32 114.28 101.84 3gxd n THR 297 Ca -0.02 0.54 -0.44 0.00 -2.27 0.00 0.00 64.05 61.86 3gxd n THR 297 Cb 0.90 -1.50 -0.07 0.00 -2.10 0.00 0.00 70.33 67.56 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 -3.59 6.23 0.58 3.42 2.15 -1.15 -4.94 116.67 119.37 3gxd s ASP 298 Ca 0.00 -0.80 0.29 0.00 0.43 0.00 0.00 52.55 52.47 3gxd s ASP 298 Cb 0.05 -2.28 1.48 0.00 -0.30 0.00 0.00 42.92 41.87 3gxd s ASP 298 CO 0.16 -0.82 1.92 1.55 -0.17 0.00 0.00 175.17 177.81 3gxd h PRO 299 N 8.93 0.00 -0.36 4.34 0.13 -1.87 0.75 132.00 143.92 3gxd h PRO 299 Ca -0.27 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.71 3gxd h PRO 299 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3gxd h PRO 299 CO 0.93 0.00 -0.37 1.49 -0.23 0.00 0.00 178.00 179.82 3gxd h GLU 300 N 0.00 0.89 0.51 0.86 4.22 -1.93 -2.85 114.58 116.28 3gxd h GLU 300 Ca 0.23 -0.48 -0.02 0.00 0.08 0.00 0.00 59.36 59.17 3gxd h GLU 300 Cb 1.17 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3gxd h GLU 300 CO -0.00 1.12 -0.24 0.00 -2.18 0.00 0.00 179.01 177.71 3gxd h ALA 301 N 0.75 -0.77 -0.99 2.92 0.00 -1.44 -3.38 119.26 116.36 3gxd h ALA 301 Ca 0.06 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.02 3gxd h ALA 301 Cb 0.96 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 3gxd h ALA 301 CO 0.09 -0.72 0.62 0.00 0.00 0.00 0.00 179.25 179.24 3gxd h ALA 302 N -1.33 1.88 0.00 0.00 0.00 -1.00 -1.01 119.26 117.79 3gxd h ALA 302 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gxd h ALA 302 Cb 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3gxd h ALA 302 CO 0.11 -0.24 0.09 1.57 0.00 0.00 0.00 179.25 180.78 3gxd h LYS 303 N 0.63 0.00 -0.01 0.00 2.10 -1.68 -1.09 116.57 116.52 3gxd h LYS 303 Ca 0.56 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.21 3gxd h LYS 303 Cb 1.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 3gxd h LYS 303 CO -0.33 0.00 -0.39 0.66 -2.00 0.00 0.00 179.45 177.40 3gxd n TYR 304 N -2.25 0.00 -3.29 0.07 4.02 -0.38 -4.93 117.16 110.39 3gxd n TYR 304 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.45 3gxd n TYR 304 Cb 0.12 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.36 3gxd n TYR 304 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3gxd s VAL 305 N -1.86 5.05 0.20 -0.72 1.01 -0.41 -4.23 120.40 119.43 3gxd s VAL 305 Ca 0.10 -0.10 0.12 0.00 0.00 0.00 0.00 61.98 62.10 3gxd s VAL 305 Cb 0.11 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 3gxd s VAL 305 CO 0.41 -0.36 1.59 -0.74 0.00 0.00 0.00 175.10 176.00 3gxd h HIS 306 N 8.66 0.00 -2.31 5.22 2.76 -1.72 -3.49 115.15 124.27 3gxd h HIS 306 Ca -0.27 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 57.95 3gxd h HIS 306 Cb 1.12 0.00 -0.16 0.00 1.55 0.00 0.00 27.41 29.91 3gxd h HIS 306 CO 0.67 0.60 0.38 0.20 -1.30 0.00 0.00 177.93 178.48 3gxd s GLY 307 N -4.47 -0.49 -0.22 5.26 0.00 -1.19 -3.38 107.32 102.82 3gxd s GLY 307 Ca -0.00 1.08 -0.04 0.00 0.00 0.00 0.00 44.72 45.76 3gxd s GLY 307 CO 0.75 0.49 -0.04 -0.42 0.00 0.00 0.00 173.10 173.88 3gxd s ILE 308 N -2.68 3.33 -0.04 0.90 1.01 0.17 -0.88 121.20 123.01 3gxd s ILE 308 Ca 0.01 -0.54 -0.21 0.00 0.00 0.00 0.00 60.65 59.90 3gxd s ILE 308 Cb -0.01 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 3gxd s ILE 308 CO -0.06 0.40 0.63 0.00 0.00 0.00 0.00 174.94 175.91 3gxd s ALA 309 N 1.47 3.42 0.16 9.38 0.00 -0.25 -1.56 121.76 134.38 3gxd s ALA 309 Ca 0.05 0.05 0.10 0.00 0.00 0.00 0.00 51.96 52.17 3gxd s ALA 309 Cb -0.14 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 3gxd s ALA 309 CO -0.03 0.04 -0.23 0.14 0.00 0.00 0.00 175.76 175.68 3gxd s VAL 310 N 0.27 2.14 0.09 0.00 -7.23 0.13 -1.30 120.40 114.50 3gxd s VAL 310 Ca 0.33 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 3gxd s VAL 310 Cb -0.18 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 3gxd s VAL 310 CO 0.17 -0.08 0.09 -1.00 -0.31 0.00 0.00 175.10 173.97 3gxd s HIS 311 N -1.49 3.21 -0.82 2.82 3.76 0.53 -0.75 115.29 122.56 3gxd s HIS 311 Ca 0.16 0.08 -0.08 0.00 -0.15 0.00 0.00 55.06 55.07 3gxd s HIS 311 Cb -0.08 -1.62 0.21 0.00 1.11 0.00 0.00 32.58 32.20 3gxd s HIS 311 CO 0.07 0.53 0.72 -1.58 -0.85 0.00 0.00 174.74 173.63 3gxd s TRP 312 N -1.43 3.75 0.00 1.40 0.52 -0.59 -3.40 118.94 119.19 3gxd s TRP 312 Ca 0.30 -2.48 0.00 0.00 0.02 0.00 0.00 56.10 53.94 3gxd s TRP 312 Cb -0.12 -3.54 0.00 0.00 -1.15 0.00 0.00 33.47 28.66 3gxd s TRP 312 CO 0.23 -0.90 0.00 0.98 0.02 0.00 0.00 176.95 177.28 3gxd n TYR 313 N 3.37 0.00 -3.54 -1.98 9.36 -1.26 -3.55 117.16 119.57 3gxd n TYR 313 Ca 0.15 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.18 3gxd n TYR 313 Cb 0.42 0.00 0.07 0.00 -0.63 0.00 0.00 39.34 39.19 3gxd n TYR 313 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3gxd n LEU 314 N -1.34 -3.68 0.00 2.98 4.77 -1.26 -4.78 117.00 113.70 3gxd n LEU 314 Ca 0.00 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 3gxd n LEU 314 Cb 0.00 -2.96 0.00 0.00 -2.33 0.00 0.00 43.42 38.13 3gxd n LEU 314 CO 0.00 0.40 0.00 0.47 -1.33 0.00 0.00 177.39 176.93 3gxd n ASP 315 N -3.10 0.00 -0.35 -1.43 9.92 -1.26 -4.33 116.55 116.00 3gxd n ASP 315 Ca -0.28 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.04 3gxd n ASP 315 Cb 0.67 0.00 0.21 0.00 -0.64 0.00 0.00 41.12 41.36 3gxd n ASP 315 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 3gxd h PHE 316 N 0.00 1.09 0.00 1.24 -5.15 -2.00 -2.65 116.94 109.47 3gxd h PHE 316 Ca 0.00 0.03 0.00 0.00 -0.20 0.00 0.00 57.97 57.80 3gxd h PHE 316 Cb 0.00 -0.34 0.00 0.00 0.22 0.00 0.00 35.95 35.83 3gxd h PHE 316 CO 0.00 0.45 0.17 1.28 -2.00 0.00 0.00 178.31 178.21 3gxd n LEU 317 N -4.63 0.17 -3.69 2.10 4.32 -1.26 -4.70 117.00 109.31 3gxd n LEU 317 Ca 0.17 0.47 -0.12 0.00 -0.02 0.00 0.00 56.01 56.51 3gxd n LEU 317 Cb 0.31 -0.46 -0.09 0.00 -1.62 0.00 0.00 43.42 41.56 3gxd n LEU 317 CO 0.28 -0.53 0.17 0.00 -1.22 0.00 0.00 177.39 176.09 3gxd s ALA 318 N -3.00 -1.27 0.75 -1.18 0.00 -1.00 -5.01 121.76 111.05 3gxd s ALA 318 Ca -0.01 1.58 -0.11 0.00 0.00 0.00 0.00 51.96 53.43 3gxd s ALA 318 Cb 0.02 -0.93 0.04 0.00 0.00 0.00 0.00 23.12 22.25 3gxd s ALA 318 CO 0.06 -0.26 1.08 -1.25 0.00 0.00 0.00 175.76 175.39 3gxd s PRO 319 N 0.75 2.47 0.19 0.00 0.04 -1.26 -4.82 135.00 132.36 3gxd s PRO 319 Ca -0.04 1.11 0.01 0.00 0.04 0.00 0.00 61.00 62.13 3gxd s PRO 319 Cb -0.05 -1.93 0.11 0.00 0.04 0.00 0.00 34.50 32.68 3gxd s PRO 319 CO -0.06 -1.48 1.47 0.00 0.04 0.00 0.00 177.00 176.97 3gxd h ALA 320 N -0.99 0.67 -0.50 8.56 0.00 -1.98 -3.25 119.26 121.78 3gxd h ALA 320 Ca -0.44 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 53.81 3gxd h ALA 320 Cb 1.22 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3gxd h ALA 320 CO 0.53 0.78 0.11 -0.22 0.00 0.00 0.00 179.25 180.45 3gxd h LYS 321 N 0.21 0.81 0.00 0.00 3.64 -1.95 0.14 116.57 119.41 3gxd h LYS 321 Ca -0.02 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3gxd h LYS 321 Cb 1.28 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3gxd h LYS 321 CO 0.12 0.79 0.00 0.00 -2.27 0.00 0.00 179.45 178.08 3gxd n ALA 322 N -2.39 1.39 -0.68 5.00 0.00 -1.23 -0.76 120.51 121.83 3gxd n ALA 322 Ca 0.01 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3gxd n ALA 322 Cb 0.23 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3gxd n ALA 322 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gxd n THR 323 N -2.04 0.00 -0.19 0.00 -2.24 -0.48 -4.40 114.28 104.92 3gxd n THR 323 Ca 0.01 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.81 3gxd n THR 323 Cb 0.13 -0.52 0.28 0.00 -2.10 0.00 0.00 70.33 68.13 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 0.79 -0.02 3.22 3.38 -1.21 -1.95 115.31 119.52 3gxd h LEU 324 Ca 0.00 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3gxd h LEU 324 Cb 0.00 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.57 3gxd h LEU 324 CO 0.00 0.56 -0.56 1.23 0.09 0.00 0.00 178.44 179.76 3gxd h GLY 325 N 0.93 0.47 2.00 0.83 0.00 -0.68 -2.06 103.07 104.57 3gxd h GLY 325 Ca 0.27 -0.78 -0.14 0.00 0.00 0.00 0.00 47.33 46.69 3gxd h GLY 325 CO -0.07 0.69 -0.65 -2.09 0.00 0.00 0.00 176.54 174.42 3gxd h GLU 326 N -0.07 0.00 -0.24 4.80 4.57 -0.97 -2.93 114.58 119.73 3gxd h GLU 326 Ca -0.06 -0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.91 3gxd h GLU 326 Cb 1.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 3gxd h GLU 326 CO 0.11 0.65 -0.64 1.15 -1.18 0.00 0.00 179.01 179.11 3gxd h THR 327 N 0.00 1.27 0.19 0.32 2.02 -1.32 -2.65 112.91 112.75 3gxd h THR 327 Ca -0.01 -1.82 -0.01 0.00 0.77 0.00 0.00 66.41 65.35 3gxd h THR 327 Cb 1.15 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 3gxd h THR 327 CO 0.08 0.59 -0.09 -0.74 0.37 0.00 0.00 175.52 175.73 3gxd h HIS 328 N 0.63 -0.23 -0.42 3.16 -0.00 -1.25 -1.04 115.15 116.00 3gxd h HIS 328 Ca -0.01 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.41 3gxd h HIS 328 Cb 1.25 0.08 -0.09 0.00 -0.00 0.00 0.00 27.41 28.66 3gxd h HIS 328 CO 0.08 -0.11 -0.53 -0.09 -0.00 0.00 0.00 177.93 177.28 3gxd h ARG 329 N -0.30 -0.36 -0.85 5.26 2.43 -1.55 0.21 114.38 119.22 3gxd h ARG 329 Ca -0.03 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 3gxd h ARG 329 Cb 0.23 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 3gxd h ARG 329 CO 0.04 -0.24 0.55 -0.07 -1.51 0.00 0.00 179.97 178.74 3gxd h LEU 330 N -0.37 0.75 -6.27 3.80 3.38 -1.39 -3.33 115.31 111.88 3gxd h LEU 330 Ca 0.09 0.02 -0.58 0.00 0.09 0.00 0.00 57.88 57.50 3gxd h LEU 330 Cb 0.59 -0.14 -0.39 0.00 0.09 0.00 0.00 40.66 40.82 3gxd h LEU 330 CO -0.60 0.45 -0.99 0.49 0.09 0.00 0.00 178.44 177.88 3gxd n PHE 331 N -4.51 -0.44 1.94 1.13 3.01 -0.27 -4.98 117.46 113.34 3gxd n PHE 331 Ca 0.14 -3.46 0.09 0.00 1.01 0.00 0.00 57.45 55.23 3gxd n PHE 331 Cb 0.30 0.00 0.49 0.00 -0.01 0.00 0.00 39.48 40.26 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 2.27 1.06 -0.26 -1.08 -0.05 0.59 -2.39 135.00 135.13 3gxd n PRO 332 Ca 0.27 -0.08 0.07 0.00 -0.05 0.00 0.00 63.50 63.70 3gxd n PRO 332 Cb 0.49 -1.27 0.19 0.00 -0.05 0.00 0.00 33.50 32.85 3gxd n PRO 332 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 3gxd n ASN 333 N -0.68 3.24 -4.44 3.54 3.02 -1.26 -4.92 115.26 113.75 3gxd n ASN 333 Ca 0.13 -2.28 -0.35 0.00 -0.03 0.00 0.00 54.58 52.04 3gxd n ASN 333 Cb 0.08 -0.33 -0.13 0.00 -0.61 0.00 0.00 39.78 38.80 3gxd n ASN 333 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3gxd s THR 334 N -1.51 3.97 0.60 3.41 2.01 -1.01 -4.99 115.64 118.12 3gxd s THR 334 Ca 0.29 -0.30 -0.16 0.00 0.31 0.00 0.00 61.69 61.83 3gxd s THR 334 Cb 0.19 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 3gxd s THR 334 CO 0.14 0.42 1.08 0.00 -0.69 0.00 0.00 174.62 175.57 3gxd s MET 335 N 1.10 3.19 -0.15 4.92 0.23 -1.22 -4.79 119.30 122.58 3gxd s MET 335 Ca 0.03 1.33 -0.04 0.00 -1.03 0.00 0.00 55.69 55.98 3gxd s MET 335 Cb -0.14 -2.01 -0.03 0.00 -1.53 0.00 0.00 34.83 31.12 3gxd s MET 335 CO 0.02 -0.93 -0.01 -0.51 -2.03 0.00 0.00 175.02 171.55 3gxd s LEU 336 N -4.45 3.42 -0.01 0.18 1.43 -1.26 -0.66 118.68 117.33 3gxd s LEU 336 Ca 0.66 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.75 3gxd s LEU 336 Cb -0.19 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 3gxd s LEU 336 CO 0.36 0.20 -0.11 0.12 0.23 0.00 0.00 176.35 177.15 3gxd s PHE 337 N 0.17 0.98 -0.49 0.29 5.36 -0.60 0.16 117.98 123.85 3gxd s PHE 337 Ca 0.00 -0.20 -0.17 0.00 -0.96 0.00 0.00 56.93 55.60 3gxd s PHE 337 Cb -0.13 -0.64 0.07 0.00 -0.34 0.00 0.00 43.02 41.97 3gxd s PHE 337 CO 0.02 -0.03 0.50 0.00 -1.46 0.00 0.00 175.22 174.25 3gxd s ALA 338 N -0.18 3.49 -0.40 11.12 0.00 0.46 0.17 121.76 136.42 3gxd s ALA 338 Ca 0.03 -1.98 0.23 0.00 0.00 0.00 0.00 51.96 50.24 3gxd s ALA 338 Cb -0.05 -3.20 0.18 0.00 0.00 0.00 0.00 23.12 20.05 3gxd s ALA 338 CO -0.00 -1.87 1.23 0.66 0.00 0.00 0.00 175.76 175.79 3gxd h SER 339 N 8.87 0.00 -2.13 0.00 4.64 -1.18 0.56 113.55 124.30 3gxd h SER 339 Ca -0.28 -0.07 -0.23 0.00 -0.47 0.00 0.00 61.79 60.74 3gxd h SER 339 Cb 1.10 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.87 3gxd h SER 339 CO 0.92 0.03 -0.55 -0.70 -0.87 0.00 0.00 176.83 175.66 3gxd s GLU 340 N -3.27 0.30 -0.32 4.77 2.12 -1.12 -4.41 118.70 116.76 3gxd s GLU 340 Ca 0.03 0.31 -0.12 0.00 0.36 0.00 0.00 54.97 55.55 3gxd s GLU 340 Cb 0.10 -0.74 -0.02 0.00 0.26 0.00 0.00 34.13 33.72 3gxd s GLU 340 CO 0.75 -0.72 0.20 0.00 -0.54 0.00 0.00 175.26 174.95 3gxd s ALA 341 N 2.45 3.46 -0.05 6.30 0.00 -0.51 -1.53 121.76 131.86 3gxd s ALA 341 Ca 0.10 -1.29 -0.07 0.00 0.00 0.00 0.00 51.96 50.69 3gxd s ALA 341 Cb -0.15 -2.54 0.02 0.00 0.00 0.00 0.00 23.12 20.44 3gxd s ALA 341 CO -0.18 -0.83 0.19 0.00 0.00 0.00 0.00 175.76 174.94 3gxd s VAL 343 N -0.32 0.02 0.00 0.00 0.11 -1.26 -4.75 120.40 114.20 3gxd s VAL 343 Ca -0.04 -0.18 0.00 0.00 -2.93 0.00 0.00 61.98 58.83 3gxd s VAL 343 Cb -0.03 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 3gxd s VAL 343 CO 0.01 -0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.29 3gxd n GLY 344 N 0.68 0.35 0.00 6.54 0.00 -1.26 -1.82 105.19 109.69 3gxd n GLY 344 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3gxd n GLY 344 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gxd n SER 345 N 0.00 0.00 -0.93 1.61 3.41 -1.26 -4.55 113.62 111.90 3gxd n SER 345 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 3gxd n SER 345 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3gxd n SER 345 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gxd n LYS 346 N 0.00 -0.07 -0.54 4.33 5.02 -1.26 -4.65 118.16 120.99 3gxd n LYS 346 Ca 0.00 0.11 0.43 0.00 -2.02 0.00 0.00 58.31 56.84 3gxd n LYS 346 Cb 0.00 -0.15 0.70 0.00 -0.02 0.00 0.00 35.03 35.57 3gxd n LYS 346 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 3gxd n PHE 347 N 0.49 0.45 1.35 2.13 1.16 -1.26 0.02 117.46 121.81 3gxd n PHE 347 Ca -0.00 0.46 0.02 0.00 -1.87 0.00 0.00 57.45 56.06 3gxd n PHE 347 Cb 0.07 -0.91 0.07 0.00 -1.61 0.00 0.00 39.48 37.10 3gxd n PHE 347 CO 0.00 0.00 0.00 -2.67 -1.87 0.00 0.00 176.76 172.22 3gxd n TRP 348 N -4.39 0.23 -4.63 2.97 4.27 -1.26 -4.81 117.44 109.82 3gxd n TRP 348 Ca 0.40 -0.10 -0.30 0.00 -3.89 0.00 0.00 57.50 53.61 3gxd n TRP 348 Cb 1.67 -0.04 -0.13 0.00 -1.36 0.00 0.00 31.31 31.45 3gxd n TRP 348 CO 0.00 0.00 0.00 -1.21 -2.29 0.00 0.00 177.69 174.19 3gxd s GLU 349 N -1.71 1.84 0.62 -2.67 2.02 0.10 -5.11 118.70 113.80 3gxd s GLU 349 Ca 0.10 -1.11 -0.18 0.00 0.02 0.00 0.00 54.97 53.79 3gxd s GLU 349 Cb 0.06 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 32.19 3gxd s GLU 349 CO 0.06 0.51 1.19 0.94 0.02 0.00 0.00 175.26 177.98 3gxd n GLN 350 N 1.39 1.10 0.07 1.61 7.27 -1.26 -4.95 117.38 122.60 3gxd n GLN 350 Ca -0.17 0.43 -0.13 0.00 0.07 0.00 0.00 57.00 57.21 3gxd n GLN 350 Cb 0.52 -2.42 -0.07 0.00 2.41 0.00 0.00 30.24 30.68 3gxd n GLN 350 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3gxd h SER 351 N 0.60 -0.06 -3.68 1.69 4.64 -1.85 -3.40 113.55 111.48 3gxd h SER 351 Ca -0.50 -0.01 -0.63 0.00 -0.47 0.00 0.00 61.79 60.19 3gxd h SER 351 Cb 1.34 0.02 -0.15 0.00 -0.31 0.00 0.00 62.40 63.30 3gxd h SER 351 CO 0.53 -0.04 -0.51 -0.69 -0.87 0.00 0.00 176.83 175.25 3gxd s VAL 352 N -6.14 5.34 -0.42 0.95 1.01 -1.26 -2.89 120.40 116.99 3gxd s VAL 352 Ca -0.13 0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 3gxd s VAL 352 Cb 0.06 -3.51 0.11 0.00 0.00 0.00 0.00 36.38 33.04 3gxd s VAL 352 CO 0.66 0.32 0.21 -0.13 0.00 0.00 0.00 175.10 176.15 3gxd s ARG 353 N 1.27 2.01 -0.41 2.72 0.52 -1.26 -5.04 118.95 118.76 3gxd s ARG 353 Ca 0.07 -1.86 -0.28 0.00 -0.52 0.00 0.00 55.73 53.15 3gxd s ARG 353 Cb -0.14 -3.58 -0.07 0.00 0.52 0.00 0.00 34.95 31.67 3gxd s ARG 353 CO 0.06 -1.07 2.35 1.28 0.02 0.00 0.00 175.30 177.94 3gxd n LEU 354 N 4.52 2.54 0.00 2.53 4.77 -1.26 -2.73 117.00 127.37 3gxd n LEU 354 Ca -0.02 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3gxd n LEU 354 Cb 0.41 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 3gxd n LEU 354 CO 0.33 -1.15 0.00 0.61 -1.33 0.00 0.00 177.39 175.84 3gxd n GLY 355 N 6.00 1.30 3.56 -0.72 0.00 -1.26 -4.27 105.19 109.80 3gxd n GLY 355 Ca 0.36 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.29 6.46 0.51 1.61 0.15 -1.11 -0.83 113.70 118.20 3gxd s SER 356 Ca 0.00 0.00 0.23 0.00 0.70 0.00 0.00 55.95 56.88 3gxd s SER 356 Cb 0.00 -2.46 1.35 0.00 -1.71 0.00 0.00 66.02 63.20 3gxd s SER 356 CO 0.00 -1.13 2.08 -0.25 1.20 0.00 0.00 173.24 175.13 3gxd h TRP 357 N 9.18 0.00 -0.77 3.44 2.91 -1.91 -2.79 115.95 126.01 3gxd h TRP 357 Ca -0.25 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.72 3gxd h TRP 357 Cb 1.07 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.69 3gxd h TRP 357 CO 0.90 0.12 0.27 0.22 -1.03 0.00 0.00 178.44 178.92 3gxd h ASP 358 N 0.00 1.09 0.77 2.65 3.58 -1.98 -0.25 116.42 122.28 3gxd h ASP 358 Ca -0.00 -0.19 -0.13 0.00 0.42 0.00 0.00 57.03 57.13 3gxd h ASP 358 Cb 0.27 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 3gxd h ASP 358 CO 0.02 0.99 -0.62 0.03 -2.88 0.00 0.00 179.24 176.78 3gxd h ARG 359 N 1.13 0.00 0.67 0.28 3.08 -1.92 -1.59 114.38 116.03 3gxd h ARG 359 Ca 0.25 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 3gxd h ARG 359 Cb 0.27 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.32 3gxd h ARG 359 CO -0.01 0.62 -0.32 0.78 -1.07 0.00 0.00 179.97 179.96 3gxd h GLY 360 N 2.15 -0.94 -0.07 0.04 0.00 -1.33 -2.37 103.07 100.56 3gxd h GLY 360 Ca -0.01 0.35 0.22 0.00 0.00 0.00 0.00 47.33 47.89 3gxd h GLY 360 CO 0.08 -0.34 0.54 -0.33 0.00 0.00 0.00 176.54 176.49 3gxd h MET 361 N -1.00 0.57 -0.64 4.80 2.86 -0.95 -1.56 114.93 119.00 3gxd h MET 361 Ca -0.09 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 3gxd h MET 361 Cb 0.72 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 3gxd h MET 361 CO 0.15 0.38 0.28 1.96 1.06 0.00 0.00 176.91 180.74 3gxd h GLN 362 N 0.59 0.94 0.40 1.72 4.20 -0.88 0.01 115.11 122.09 3gxd h GLN 362 Ca 0.60 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 59.14 3gxd h GLN 362 Cb 1.07 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.67 3gxd h GLN 362 CO -0.46 0.78 -0.44 1.88 -0.67 0.00 0.00 178.83 179.92 3gxd h TYR 363 N 0.89 -1.23 -0.29 2.96 -1.99 -0.81 -2.57 116.97 113.95 3gxd h TYR 363 Ca 0.22 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.95 3gxd h TYR 363 Cb 0.17 0.48 -0.01 0.00 2.00 0.00 0.00 36.73 39.36 3gxd h TYR 363 CO 0.01 -0.57 0.13 0.66 -0.00 0.00 0.00 178.16 178.38 3gxd h SER 364 N -0.85 0.38 -0.97 3.88 4.64 -1.03 -1.34 113.55 118.28 3gxd h SER 364 Ca -0.05 -0.14 0.22 0.00 -0.47 0.00 0.00 61.79 61.35 3gxd h SER 364 Cb 0.74 -0.10 -0.12 0.00 -0.31 0.00 0.00 62.40 62.61 3gxd h SER 364 CO -0.08 0.42 0.55 -0.74 -0.87 0.00 0.00 176.83 176.11 3gxd h HIS 365 N 0.32 0.93 0.00 4.77 -0.00 -1.07 0.56 115.15 120.67 3gxd h HIS 365 Ca 0.10 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 3gxd h HIS 365 Cb 0.15 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.29 3gxd h HIS 365 CO -0.01 0.08 -0.16 0.45 -0.00 0.00 0.00 177.93 178.29 3gxd n SER 366 N -4.90 0.49 0.07 3.26 2.88 -0.96 -2.10 113.62 112.36 3gxd n SER 366 Ca 0.25 0.38 -0.23 0.00 -1.33 0.00 0.00 58.87 57.94 3gxd n SER 366 Cb 0.68 -0.43 -0.15 0.00 -0.75 0.00 0.00 64.21 63.56 3gxd n SER 366 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3gxd h ILE 367 N 0.00 1.08 -0.62 2.46 2.04 0.12 -2.70 117.51 119.88 3gxd h ILE 367 Ca 0.00 -2.52 0.11 0.00 1.00 0.00 0.00 64.86 63.45 3gxd h ILE 367 Cb 0.63 2.85 -0.08 0.00 -0.74 0.00 0.00 36.82 39.48 3gxd h ILE 367 CO 0.00 0.80 0.18 0.40 0.00 0.00 0.00 178.15 179.52 3gxd h ILE 368 N -0.04 0.67 -0.26 -0.67 2.04 -0.97 -0.09 117.51 118.20 3gxd h ILE 368 Ca -0.30 -0.11 -0.19 0.00 1.00 0.00 0.00 64.86 65.26 3gxd h ILE 368 Cb 1.99 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 3gxd h ILE 368 CO 0.16 0.06 -0.59 0.74 0.00 0.00 0.00 178.15 178.52 3gxd h THR 369 N 0.32 1.28 -0.55 -0.27 2.02 -1.46 -1.39 112.91 112.86 3gxd h THR 369 Ca 0.33 -1.78 0.03 0.00 0.77 0.00 0.00 66.41 65.75 3gxd h THR 369 Cb 0.47 1.70 -0.04 0.00 -1.74 0.00 0.00 68.15 68.54 3gxd h THR 369 CO -0.38 0.58 0.33 0.78 0.37 0.00 0.00 175.52 177.19 3gxd h ASN 370 N 0.64 0.52 -0.64 4.18 -0.26 -1.27 -2.46 115.58 116.28 3gxd h ASN 370 Ca 0.00 0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 55.67 3gxd h ASN 370 Cb 1.20 -0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 38.33 3gxd h ASN 370 CO 0.13 0.36 0.11 -0.07 -1.06 0.00 0.00 177.43 176.91 3gxd h LEU 371 N 0.64 1.02 -0.23 1.61 3.38 -0.57 -1.73 115.31 119.44 3gxd h LEU 371 Ca 0.22 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gxd h LEU 371 Cb 0.04 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3gxd h LEU 371 CO -0.11 1.01 0.00 0.18 0.09 0.00 0.00 178.44 179.62 3gxd n LEU 372 N -4.22 0.23 -1.15 1.67 4.77 -0.56 -2.99 117.00 114.76 3gxd n LEU 372 Ca 0.04 0.56 -0.05 0.00 -0.03 0.00 0.00 56.01 56.52 3gxd n LEU 372 Cb 0.28 -0.52 0.14 0.00 -2.33 0.00 0.00 43.42 40.99 3gxd n LEU 372 CO 0.43 -0.34 0.29 -1.22 -1.33 0.00 0.00 177.39 175.22 3gxd n TYR 373 N -1.76 1.05 -0.52 -1.77 4.02 -0.73 -4.99 117.16 112.47 3gxd n TYR 373 Ca 0.03 -1.77 0.00 0.00 -0.01 0.00 0.00 57.90 56.15 3gxd n TYR 373 Cb 0.20 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.24 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 -0.96 0.00 -2.23 -0.72 8.25 -1.02 -4.58 115.22 113.95 3gxd n HIS 374 Ca 0.29 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.33 3gxd n HIS 374 Cb 0.80 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.88 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 -2.46 3.36 -0.74 1.59 1.01 -0.76 -4.35 120.40 118.04 3gxd s VAL 375 Ca 0.00 1.05 0.23 0.00 0.00 0.00 0.00 61.98 63.26 3gxd s VAL 375 Cb 0.00 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.62 3gxd s VAL 375 CO 0.00 0.12 1.12 1.33 0.00 0.00 0.00 175.10 177.67 3gxd n VAL 376 N 3.22 0.12 -3.63 2.92 0.24 0.43 -4.65 118.33 116.98 3gxd n VAL 376 Ca 0.08 -0.16 -0.06 0.00 -2.04 0.00 0.00 64.34 62.16 3gxd n VAL 376 Cb 0.43 0.29 -0.02 0.00 -1.47 0.00 0.00 33.84 33.07 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 -3.43 -0.35 -0.03 7.63 0.00 -1.26 0.89 107.32 110.77 3gxd s GLY 377 Ca 0.06 0.51 0.02 0.00 0.00 0.00 0.00 44.72 45.31 3gxd s GLY 377 CO 0.78 0.15 -0.07 -0.98 0.00 0.00 0.00 173.10 172.98 3gxd s TRP 378 N -3.26 0.81 -0.27 1.90 0.51 -0.14 -0.41 118.94 118.09 3gxd s TRP 378 Ca 0.08 -0.20 0.03 0.00 -2.12 0.00 0.00 56.10 53.90 3gxd s TRP 378 Cb -0.01 -0.60 0.07 0.00 -0.81 0.00 0.00 33.47 32.11 3gxd s TRP 378 CO -0.03 -0.10 -0.08 0.99 -0.51 0.00 0.00 176.95 177.22 3gxd s THR 379 N 0.29 2.15 1.00 2.01 2.01 0.20 -1.52 115.64 121.77 3gxd s THR 379 Ca -0.04 -1.75 -0.12 0.00 0.31 0.00 0.00 61.69 60.08 3gxd s THR 379 Cb -0.09 -2.33 0.14 0.00 0.01 0.00 0.00 72.50 70.23 3gxd s THR 379 CO 0.00 -0.15 0.76 -0.67 -0.69 0.00 0.00 174.62 173.87 3gxd n ASP 380 N 4.41 -1.12 0.00 3.53 -0.08 0.11 -1.43 116.55 121.97 3gxd n ASP 380 Ca -0.10 0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 3gxd n ASP 380 Cb 0.42 -1.29 0.00 0.00 2.34 0.00 0.00 41.12 42.59 3gxd n ASP 380 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 3gxd n TRP 381 N -4.22 0.00 -1.63 -0.67 -0.00 -1.13 -2.07 117.44 107.73 3gxd n TRP 381 Ca 0.07 0.00 -0.54 0.00 -0.00 0.00 0.00 57.50 57.03 3gxd n TRP 381 Cb 0.54 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.79 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 1.78 -0.08 5.87 3.02 -1.26 0.00 115.26 124.60 3gxd n ASN 382 Ca 0.00 1.11 0.03 0.00 -0.03 0.00 0.00 54.58 55.69 3gxd n ASN 382 Cb 0.00 -1.16 0.36 0.00 -0.61 0.00 0.00 39.78 38.37 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 5.31 0.61 -7.60 3.41 3.38 -1.52 -3.41 115.31 115.49 3gxd h LEU 383 Ca -0.47 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.33 3gxd h LEU 383 Cb 1.34 -0.15 -0.23 0.00 0.09 0.00 0.00 40.66 41.71 3gxd h LEU 383 CO 0.83 0.44 -0.44 0.00 0.09 0.00 0.00 178.44 179.37 3gxd s ALA 384 N -5.61 -0.51 0.08 1.53 0.00 -1.26 -4.16 121.76 111.83 3gxd s ALA 384 Ca -0.09 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.17 3gxd s ALA 384 Cb 0.17 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 3gxd s ALA 384 CO 0.75 -0.17 -0.06 -0.51 0.00 0.00 0.00 175.76 175.76 3gxd s LEU 385 N -0.71 2.46 0.88 0.00 1.43 -0.63 -3.81 118.68 118.30 3gxd s LEU 385 Ca -0.08 -0.92 -0.13 0.00 -1.03 0.00 0.00 54.13 51.97 3gxd s LEU 385 Cb -0.05 -0.05 0.12 0.00 0.03 0.00 0.00 46.19 46.24 3gxd s LEU 385 CO 0.02 -0.43 1.16 0.54 0.23 0.00 0.00 176.35 177.86 3gxd s ASN 386 N -2.76 3.82 0.64 2.29 2.20 -0.31 -0.05 114.94 120.77 3gxd s ASN 386 Ca 0.07 0.85 0.42 0.00 -0.94 0.00 0.00 52.86 53.26 3gxd s ASN 386 Cb 0.03 -1.35 2.17 0.00 -2.00 0.00 0.00 41.25 40.10 3gxd s ASN 386 CO -0.04 -2.34 2.28 -0.65 -2.94 0.00 0.00 177.10 173.40 3gxd h PRO 387 N -1.36 0.00 0.00 3.55 0.11 -1.87 0.39 132.00 132.82 3gxd h PRO 387 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3gxd h PRO 387 Cb 1.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 3gxd h PRO 387 CO 0.62 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 179.30 3gxd h GLU 388 N 0.00 0.00 0.00 1.05 3.07 -1.94 -3.41 114.58 113.35 3gxd h GLU 388 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gxd h GLU 388 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3gxd h GLU 388 CO 0.00 0.03 0.00 0.41 -1.40 0.00 0.00 179.01 178.05 3gxd n GLY 389 N 0.91 0.56 0.00 -3.84 0.00 0.14 -4.60 105.19 98.36 3gxd n GLY 389 Ca 0.03 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.63 4.43 3.73 -0.02 0.00 -1.26 -4.61 105.19 104.82 3gxd n GLY 390 Ca 0.00 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 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 -1.42 4.31 -0.06 1.61 0.04 -1.26 -1.16 135.00 137.06 3gxd s PRO 391 Ca 0.00 2.17 -0.03 0.00 0.04 0.00 0.00 61.00 63.18 3gxd s PRO 391 Cb 0.00 -3.18 0.04 0.00 0.04 0.00 0.00 34.50 31.40 3gxd s PRO 391 CO 0.00 -0.41 0.13 1.21 0.04 0.00 0.00 177.00 177.98 3gxd s ASN 392 N 0.71 0.18 0.00 6.66 3.84 -1.26 -4.53 114.94 120.54 3gxd s ASN 392 Ca 0.62 0.27 0.16 0.00 0.21 0.00 0.00 52.86 54.11 3gxd s ASN 392 Cb -0.39 0.17 0.93 0.00 -0.55 0.00 0.00 41.25 41.40 3gxd s ASN 392 CO 0.36 -0.18 1.51 -2.67 -2.79 0.00 0.00 177.10 173.33 3gxd n TRP 393 N 4.54 0.00 0.03 0.43 4.27 -0.82 -4.31 117.44 121.58 3gxd n TRP 393 Ca -0.20 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.41 3gxd n TRP 393 Cb 0.51 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.46 3gxd n TRP 393 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 3gxd n VAL 394 N -0.78 0.40 -3.61 -1.67 0.31 -1.26 -5.07 118.33 106.64 3gxd n VAL 394 Ca 0.12 0.13 -0.08 0.00 -0.01 0.00 0.00 64.34 64.50 3gxd n VAL 394 Cb 0.05 -1.01 -0.05 0.00 -0.91 0.00 0.00 33.84 31.91 3gxd n VAL 394 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3gxd s ARG 395 N -1.41 0.42 0.29 5.55 0.52 -1.26 -5.11 118.95 117.96 3gxd s ARG 395 Ca 0.00 0.19 0.16 0.00 -0.52 0.00 0.00 55.73 55.56 3gxd s ARG 395 Cb 0.00 0.20 0.08 0.00 0.52 0.00 0.00 34.95 35.75 3gxd s ARG 395 CO 0.00 -0.11 1.45 -0.91 0.02 0.00 0.00 175.30 175.75 3gxd h ASN 396 N 2.80 0.00 0.00 0.23 2.35 -1.89 -3.45 115.58 115.62 3gxd h ASN 396 Ca -0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 3gxd h ASN 396 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.54 3gxd h ASN 396 CO 0.24 0.46 0.00 2.22 -1.65 0.00 0.00 177.43 178.71 3gxd n PHE 397 N -3.21 0.00 -4.56 1.19 -0.00 -1.26 -4.72 117.46 104.89 3gxd n PHE 397 Ca 0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.24 3gxd n PHE 397 Cb 0.72 0.00 -0.14 0.00 -0.00 0.00 0.00 39.48 40.06 3gxd n PHE 397 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 3gxd s VAL 398 N 0.00 1.38 0.92 1.97 -7.23 -1.26 -4.41 120.40 111.77 3gxd s VAL 398 Ca 0.00 -1.01 -0.13 0.00 -1.81 0.00 0.00 61.98 59.03 3gxd s VAL 398 Cb 0.00 -1.20 0.15 0.00 0.56 0.00 0.00 36.38 35.89 3gxd s VAL 398 CO 0.00 0.17 1.17 -0.62 -0.31 0.00 0.00 175.10 175.50 3gxd s ASP 399 N -0.98 3.44 0.01 4.85 -1.08 -0.75 -4.68 116.67 117.49 3gxd s ASP 399 Ca 0.05 0.81 -0.10 0.00 -0.52 0.00 0.00 52.55 52.79 3gxd s ASP 399 Cb -0.08 -1.28 0.01 0.00 -1.46 0.00 0.00 42.92 40.11 3gxd s ASP 399 CO 0.01 -2.58 0.21 -0.55 0.52 0.00 0.00 175.17 172.79 3gxd s SER 400 N -4.23 -0.04 0.57 -0.34 0.15 -1.26 -4.84 113.70 103.71 3gxd s SER 400 Ca 0.65 -0.19 0.26 0.00 0.70 0.00 0.00 55.95 57.38 3gxd s SER 400 Cb -0.12 0.27 1.54 0.00 -1.71 0.00 0.00 66.02 66.00 3gxd s SER 400 CO 0.53 -0.48 2.07 -0.65 1.20 0.00 0.00 173.24 175.91 3gxd h PRO 401 N 3.79 0.00 -4.29 5.44 0.11 -1.83 -3.41 132.00 131.81 3gxd h PRO 401 Ca -0.31 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.28 3gxd h PRO 401 Cb 1.19 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.94 3gxd h PRO 401 CO 0.44 0.00 -0.80 0.42 -0.21 0.00 0.00 178.00 177.84 3gxd s ILE 402 N -4.78 1.02 -0.25 4.15 1.01 -1.26 -0.64 121.20 120.46 3gxd s ILE 402 Ca -0.05 -0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.22 3gxd s ILE 402 Cb 0.17 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 3gxd s ILE 402 CO 0.61 0.36 0.04 -0.63 0.00 0.00 0.00 174.94 175.31 3gxd s ILE 403 N 1.40 3.95 -0.08 2.92 -1.09 -0.20 -1.61 121.20 126.49 3gxd s ILE 403 Ca -0.01 -0.40 -0.19 0.00 -2.23 0.00 0.00 60.65 57.82 3gxd s ILE 403 Cb -0.13 -2.89 -0.04 0.00 -1.58 0.00 0.00 42.46 37.81 3gxd s ILE 403 CO -0.05 0.29 0.52 -0.69 -1.23 0.00 0.00 174.94 173.79 3gxd s VAL 404 N 1.55 5.11 -0.64 2.92 1.01 0.93 -0.53 120.40 130.75 3gxd s VAL 404 Ca 0.05 1.07 -0.07 0.00 0.00 0.00 0.00 61.98 63.03 3gxd s VAL 404 Cb -0.15 -3.86 0.17 0.00 0.00 0.00 0.00 36.38 32.53 3gxd s VAL 404 CO 0.01 0.35 0.50 -0.62 0.00 0.00 0.00 175.10 175.34 3gxd s ASP 405 N 0.39 5.75 0.18 3.32 -1.08 -0.44 -3.94 116.67 120.86 3gxd s ASP 405 Ca 0.28 -2.57 -0.18 0.00 -0.52 0.00 0.00 52.55 49.56 3gxd s ASP 405 Cb -0.16 -1.98 0.14 0.00 -1.46 0.00 0.00 42.92 39.45 3gxd s ASP 405 CO 0.13 -0.50 1.62 0.16 0.52 0.00 0.00 175.17 177.10 3gxd h ILE 406 N 5.37 0.35 -0.05 4.11 -2.65 -1.87 -1.74 117.51 121.03 3gxd h ILE 406 Ca -0.03 0.00 0.01 0.00 1.03 0.00 0.00 64.86 65.87 3gxd h ILE 406 Cb 1.01 0.35 -0.00 0.00 -2.05 0.00 0.00 36.82 36.12 3gxd h ILE 406 CO 0.76 0.00 0.22 0.71 0.03 0.00 0.00 178.15 179.87 3gxd h THR 407 N -0.11 0.09 -0.27 0.16 1.35 -1.94 0.28 112.91 112.48 3gxd h THR 407 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.09 3gxd h THR 407 Cb 0.47 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 3gxd h THR 407 CO -0.56 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.00 3gxd n LYS 408 N -3.13 2.86 -3.98 4.72 4.01 -0.68 -4.97 118.16 117.00 3gxd n LYS 408 Ca -0.01 -2.09 -0.32 0.00 -0.51 0.00 0.00 58.31 55.38 3gxd n LYS 408 Cb 0.30 -1.31 -0.06 0.00 -0.51 0.00 0.00 35.03 33.45 3gxd n LYS 408 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 3gxd n ASP 409 N 0.17 -1.58 -4.39 4.39 2.03 0.99 -4.95 116.55 113.22 3gxd n ASP 409 Ca 0.11 -0.81 -0.21 0.00 0.52 0.00 0.00 54.79 54.41 3gxd n ASP 409 Cb 0.47 -1.41 -0.10 0.00 -0.72 0.00 0.00 41.12 39.35 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 -2.89 2.00 0.09 5.18 -4.23 -1.11 -3.97 115.64 110.71 3gxd s THR 410 Ca 0.62 -2.24 0.04 0.00 -1.18 0.00 0.00 61.69 58.93 3gxd s THR 410 Cb -0.36 -2.11 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 3gxd s THR 410 CO 0.76 -0.49 -0.11 0.72 -0.54 0.00 0.00 174.62 174.96 3gxd s PHE 411 N -2.69 1.07 -0.08 3.99 -0.12 -0.21 -1.32 117.98 118.61 3gxd s PHE 411 Ca 0.24 -0.61 -0.01 0.00 -0.05 0.00 0.00 56.93 56.50 3gxd s PHE 411 Cb -0.03 -0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 41.74 3gxd s PHE 411 CO 0.10 0.01 -0.04 0.71 -0.05 0.00 0.00 175.22 175.95 3gxd s TYR 412 N -2.19 3.04 -0.35 3.49 1.51 0.31 -1.73 117.35 121.43 3gxd s TYR 412 Ca 0.03 0.08 -0.11 0.00 -1.01 0.00 0.00 57.07 56.06 3gxd s TYR 412 Cb -0.04 -1.76 0.01 0.00 -0.11 0.00 0.00 41.96 40.06 3gxd s TYR 412 CO 0.01 0.37 0.19 0.15 -1.11 0.00 0.00 175.55 175.15 3gxd s LYS 413 N -0.77 3.05 0.72 -0.62 1.02 -0.60 -1.04 119.74 121.50 3gxd s LYS 413 Ca 0.12 -0.92 -0.12 0.00 0.02 0.00 0.00 55.97 55.07 3gxd s LYS 413 Cb -0.11 -3.68 0.03 0.00 -0.52 0.00 0.00 37.83 33.55 3gxd s LYS 413 CO 0.02 -0.58 1.08 -0.65 -0.92 0.00 0.00 175.35 174.30 3gxd s GLN 414 N 1.59 2.59 0.27 1.68 -1.52 0.19 -1.28 119.66 123.17 3gxd s GLN 414 Ca 0.03 1.15 -0.05 0.00 -1.95 0.00 0.00 55.36 54.54 3gxd s GLN 414 Cb -0.18 -1.94 0.53 0.00 -0.22 0.00 0.00 33.01 31.20 3gxd s GLN 414 CO 0.07 -1.39 1.61 -1.35 -0.25 0.00 0.00 175.29 173.99 3gxd h PRO 415 N -0.74 0.07 -0.88 2.91 0.11 -1.82 0.95 132.00 132.60 3gxd h PRO 415 Ca -0.44 -0.00 0.26 0.00 0.11 0.00 0.00 66.00 65.93 3gxd h PRO 415 Cb 1.23 -0.02 -0.16 0.00 0.11 0.00 0.00 31.00 32.16 3gxd h PRO 415 CO 0.54 0.05 0.10 -1.33 -0.21 0.00 0.00 178.00 177.14 3gxd n MET 416 N -5.40 -0.07 -0.18 1.05 2.81 -1.26 -1.18 117.12 112.90 3gxd n MET 416 Ca 0.16 1.30 -0.03 0.00 -1.81 0.00 0.00 57.70 57.32 3gxd n MET 416 Cb 0.55 -2.11 0.18 0.00 -0.71 0.00 0.00 33.22 31.14 3gxd n MET 416 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 3gxd h PHE 417 N 0.00 0.94 0.17 2.03 3.57 -0.99 -1.81 116.94 120.86 3gxd h PHE 417 Ca 0.57 -0.06 -0.24 0.00 3.53 0.00 0.00 57.97 61.77 3gxd h PHE 417 Cb 1.25 -0.29 0.02 0.00 2.79 0.00 0.00 35.95 39.73 3gxd h PHE 417 CO -0.37 0.73 -1.10 1.88 -2.23 0.00 0.00 178.31 177.22 3gxd h TYR 418 N 0.92 0.66 -0.77 0.41 -1.99 -1.19 -1.85 116.97 113.15 3gxd h TYR 418 Ca 0.22 -0.48 0.11 0.00 2.00 0.00 0.00 58.73 60.58 3gxd h TYR 418 Cb 0.19 -0.03 -0.08 0.00 2.00 0.00 0.00 36.73 38.81 3gxd h TYR 418 CO 0.01 1.42 0.39 0.45 -0.00 0.00 0.00 178.16 180.43 3gxd h HIS 419 N -0.21 0.69 -0.59 4.88 3.86 -1.24 0.16 115.15 122.70 3gxd h HIS 419 Ca -0.20 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.04 3gxd h HIS 419 Cb 1.82 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 30.07 3gxd h HIS 419 CO 0.17 0.21 0.37 -0.07 0.86 0.00 0.00 177.93 179.47 3gxd h LEU 420 N 0.62 0.70 -1.67 2.43 3.38 -1.38 -3.09 115.31 116.30 3gxd h LEU 420 Ca 0.39 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.27 3gxd h LEU 420 Cb 0.47 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3gxd h LEU 420 CO -0.31 0.54 -0.19 1.23 0.09 0.00 0.00 178.44 179.81 3gxd h GLY 421 N 0.80 0.00 2.00 0.83 0.00 -0.02 0.14 103.07 106.82 3gxd h GLY 421 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 3gxd h GLY 421 CO -0.04 0.00 -0.01 0.45 0.00 0.00 0.00 176.54 176.94 3gxd h HIS 422 N 0.00 0.00 0.00 5.60 3.86 -0.71 -2.19 115.15 121.71 3gxd h HIS 422 Ca -0.00 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.97 3gxd h HIS 422 Cb 0.37 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.81 3gxd h HIS 422 CO 0.00 0.01 -1.75 1.19 0.86 0.00 0.00 177.93 178.24 3gxd n PHE 423 N -3.28 0.10 0.16 2.45 3.01 -0.40 -4.65 117.46 114.84 3gxd n PHE 423 Ca -0.03 0.04 0.02 0.00 1.01 0.00 0.00 57.45 58.50 3gxd n PHE 423 Cb 0.10 -0.79 0.23 0.00 -0.01 0.00 0.00 39.48 39.02 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 0.00 0.85 4.37 4.64 -0.65 -2.39 113.55 119.38 3gxd h SER 424 Ca -0.36 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.81 3gxd h SER 424 Cb 1.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 3gxd h SER 424 CO -0.22 0.50 -0.70 0.50 -0.87 0.00 0.00 176.83 176.04 3gxd h LYS 425 N 0.00 0.00 -0.14 4.77 3.64 -1.01 -3.37 116.57 120.46 3gxd h LYS 425 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3gxd h LYS 425 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3gxd h LYS 425 CO 0.07 0.70 0.00 1.19 -2.27 0.00 0.00 179.45 179.14 3gxd n PHE 426 N -3.56 0.18 -3.58 1.91 3.01 -0.93 -4.72 117.46 109.77 3gxd n PHE 426 Ca -0.00 -0.39 -0.27 0.00 1.01 0.00 0.00 57.45 57.80 3gxd n PHE 426 Cb 0.72 -0.03 -0.10 0.00 -0.01 0.00 0.00 39.48 40.06 3gxd n PHE 426 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3gxd n ILE 427 N 0.09 0.57 -0.74 4.37 5.41 -1.00 -4.95 119.36 123.11 3gxd n ILE 427 Ca 0.05 -4.37 -0.32 0.00 1.00 0.00 0.00 62.75 59.12 3gxd n ILE 427 Cb 0.30 -1.98 0.15 0.00 -0.71 0.00 0.00 39.64 37.40 3gxd n ILE 427 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3gxd n PRO 428 N 1.99 -0.37 -1.68 0.38 -0.04 -1.26 -4.88 135.00 129.13 3gxd n PRO 428 Ca 0.25 -0.05 -0.41 0.00 -0.04 0.00 0.00 63.50 63.24 3gxd n PRO 428 Cb 0.42 -2.18 0.01 0.00 -0.04 0.00 0.00 33.50 31.71 3gxd n PRO 428 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3gxd n GLU 429 N -3.22 1.83 0.00 0.54 2.13 -1.26 -2.35 120.64 118.31 3gxd n GLU 429 Ca 0.10 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.57 3gxd n GLU 429 Cb 0.53 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.94 3gxd n GLU 429 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gxd n GLY 430 N 0.89 2.22 3.76 8.31 0.00 0.14 -4.85 105.19 115.66 3gxd n GLY 430 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 3.35 -4.51 1.61 7.64 -0.99 -4.49 113.62 116.23 3gxd n SER 431 Ca 0.00 1.14 -0.33 0.00 1.01 0.00 0.00 58.87 60.68 3gxd n SER 431 Cb 0.00 -1.60 -0.12 0.00 -1.01 0.00 0.00 64.21 61.48 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 -2.38 2.82 0.24 1.43 0.74 -0.58 -0.02 119.66 121.90 3gxd s GLN 432 Ca 0.60 -0.61 -0.30 0.00 0.05 0.00 0.00 55.36 55.10 3gxd s GLN 432 Cb -0.46 -2.55 -0.09 0.00 1.10 0.00 0.00 33.01 31.01 3gxd s GLN 432 CO 0.58 0.56 0.95 0.50 -0.55 0.00 0.00 175.29 177.33 3gxd s ARG 433 N -0.54 4.84 0.29 1.67 3.52 0.07 -0.91 118.95 127.89 3gxd s ARG 433 Ca 0.08 1.51 0.02 0.00 -0.13 0.00 0.00 55.73 57.21 3gxd s ARG 433 Cb -0.12 -3.28 -0.06 0.00 -1.56 0.00 0.00 34.95 29.94 3gxd s ARG 433 CO 0.02 0.49 0.08 0.14 -0.81 0.00 0.00 175.30 175.22 3gxd s VAL 434 N -1.13 0.82 0.89 7.11 -7.23 -1.11 -0.60 120.40 119.15 3gxd s VAL 434 Ca 0.41 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.47 3gxd s VAL 434 Cb -0.26 -2.70 0.12 0.00 0.56 0.00 0.00 36.38 34.10 3gxd s VAL 434 CO 0.32 0.00 1.10 -0.83 -0.31 0.00 0.00 175.10 175.38 3gxd s GLY 435 N -3.39 1.60 -0.29 2.32 0.00 -0.95 -4.39 107.32 102.22 3gxd s GLY 435 Ca 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 44.72 44.87 3gxd s GLY 435 CO 0.14 0.28 0.73 -2.27 0.00 0.00 0.00 173.10 171.99 3gxd s LEU 436 N -6.10 -1.23 -0.28 0.66 2.96 -1.26 -2.49 118.68 110.95 3gxd s LEU 436 Ca 0.63 0.30 -0.12 0.00 -0.22 0.00 0.00 54.13 54.72 3gxd s LEU 436 Cb -0.17 1.84 -0.05 0.00 0.50 0.00 0.00 46.19 48.32 3gxd s LEU 436 CO 0.56 -0.23 0.24 0.68 -1.32 0.00 0.00 176.35 176.28 3gxd s VAL 437 N 2.87 5.27 0.14 1.68 -7.23 -0.78 -4.82 120.40 117.54 3gxd s VAL 437 Ca 0.15 0.27 -0.31 0.00 -1.81 0.00 0.00 61.98 60.27 3gxd s VAL 437 Cb -0.09 -3.58 -0.10 0.00 0.56 0.00 0.00 36.38 33.17 3gxd s VAL 437 CO -0.23 0.22 1.72 0.00 -0.31 0.00 0.00 175.10 176.50 3gxd s ALA 438 N 1.84 3.80 0.53 1.32 0.00 -1.26 -2.23 121.76 125.75 3gxd s ALA 438 Ca 0.09 1.42 0.41 0.00 0.00 0.00 0.00 51.96 53.89 3gxd s ALA 438 Cb -0.16 -3.71 2.23 0.00 0.00 0.00 0.00 23.12 21.48 3gxd s ALA 438 CO 0.11 -1.04 2.26 0.66 0.00 0.00 0.00 175.76 177.76 3gxd h SER 439 N 7.73 0.00 -5.22 0.00 4.64 0.97 -3.47 113.55 118.20 3gxd h SER 439 Ca -0.44 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.07 3gxd h SER 439 Cb 1.21 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.20 3gxd h SER 439 CO 0.94 0.00 0.53 0.00 -0.87 0.00 0.00 176.83 177.44 3gxd s GLN 440 N -4.05 1.01 0.30 4.77 -2.07 -1.26 -4.96 119.66 113.40 3gxd s GLN 440 Ca -0.04 -0.53 -0.29 0.00 -1.82 0.00 0.00 55.36 52.68 3gxd s GLN 440 Cb 0.12 0.36 -0.11 0.00 -1.09 0.00 0.00 33.01 32.30 3gxd s GLN 440 CO 0.39 -0.46 1.48 0.21 -1.32 0.00 0.00 175.29 175.59 3gxd s LYS 441 N -3.13 4.20 0.14 9.60 2.20 -1.26 -4.95 119.74 126.54 3gxd s LYS 441 Ca 0.11 2.44 -0.01 0.00 -0.36 0.00 0.00 55.97 58.14 3gxd s LYS 441 Cb -0.01 -3.05 0.01 0.00 -1.51 0.00 0.00 37.83 33.27 3gxd s LYS 441 CO -0.01 -0.48 0.21 0.27 -0.36 0.00 0.00 175.35 174.98 3gxd n ASN 442 N 1.70 -0.59 -0.26 1.43 0.23 -1.26 -5.07 115.26 111.44 3gxd n ASN 442 Ca 0.05 -1.76 0.04 0.00 -0.53 0.00 0.00 54.58 52.38 3gxd n ASN 442 Cb 0.39 1.08 0.02 0.00 -2.08 0.00 0.00 39.78 39.20 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 -1.86 1.44 -4.81 0.53 8.00 -1.26 -5.04 116.55 113.55 3gxd n ASP 443 Ca -0.00 -1.22 -0.35 0.00 0.71 0.00 0.00 54.79 53.93 3gxd n ASP 443 Cb 0.24 0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.43 3gxd n ASP 443 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gxd s LEU 444 N -0.91 4.20 -0.20 0.64 1.43 -1.26 -4.69 118.68 117.89 3gxd s LEU 444 Ca 0.08 1.60 -0.12 0.00 -1.03 0.00 0.00 54.13 54.67 3gxd s LEU 444 Cb 0.06 -4.03 -0.05 0.00 0.03 0.00 0.00 46.19 42.20 3gxd s LEU 444 CO 0.13 -0.13 0.22 -1.81 0.23 0.00 0.00 176.35 174.98 3gxd s ASP 445 N -1.86 6.27 0.04 2.29 1.01 -0.49 -4.93 116.67 118.99 3gxd s ASP 445 Ca 0.52 0.30 0.03 0.00 0.71 0.00 0.00 52.55 54.10 3gxd s ASP 445 Cb -0.15 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.63 3gxd s ASP 445 CO 0.20 0.09 -0.09 0.00 0.21 0.00 0.00 175.17 175.57 3gxd s ALA 446 N 0.75 0.69 -0.00 5.23 0.00 -1.26 -0.21 121.76 126.95 3gxd s ALA 446 Ca 0.11 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 3gxd s ALA 446 Cb -0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 3gxd s ALA 446 CO 0.03 0.04 0.03 0.54 0.00 0.00 0.00 175.76 176.39 3gxd s VAL 447 N -1.20 0.03 0.02 0.00 0.11 -0.87 -5.02 120.40 113.47 3gxd s VAL 447 Ca -0.07 -0.25 0.09 0.00 -2.93 0.00 0.00 61.98 58.82 3gxd s VAL 447 Cb -0.09 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.61 3gxd s VAL 447 CO 0.01 -0.14 -0.25 0.00 -3.33 0.00 0.00 175.10 171.39 3gxd s ALA 448 N -0.40 2.26 0.29 1.54 0.00 -1.26 -1.69 121.76 122.50 3gxd s ALA 448 Ca -0.04 -1.21 -0.07 0.00 0.00 0.00 0.00 51.96 50.63 3gxd s ALA 448 Cb -0.03 -0.53 -0.00 0.00 0.00 0.00 0.00 23.12 22.55 3gxd s ALA 448 CO -0.00 0.54 0.45 -0.51 0.00 0.00 0.00 175.76 176.23 3gxd s LEU 449 N -1.04 0.70 -0.08 0.00 1.02 0.30 -2.76 118.68 116.82 3gxd s LEU 449 Ca 0.11 -1.23 -0.01 0.00 0.02 0.00 0.00 54.13 53.03 3gxd s LEU 449 Cb -0.10 1.52 0.03 0.00 0.02 0.00 0.00 46.19 47.66 3gxd s LEU 449 CO 0.01 -1.20 -0.03 -0.32 0.02 0.00 0.00 176.35 174.84 3gxd s MET 450 N -3.55 0.89 0.90 1.70 1.75 -0.09 -1.77 119.30 119.13 3gxd s MET 450 Ca 0.28 -0.03 -0.11 0.00 -1.25 0.00 0.00 55.69 54.58 3gxd s MET 450 Cb 0.00 -1.09 0.14 0.00 2.84 0.00 0.00 34.83 36.71 3gxd s MET 450 CO 0.14 -0.24 1.11 -1.01 -0.65 0.00 0.00 175.02 174.38 3gxd s HIS 451 N 1.66 1.91 0.19 4.11 3.76 -0.62 -1.53 115.29 124.77 3gxd s HIS 451 Ca 0.01 1.62 -0.21 0.00 -0.15 0.00 0.00 55.06 56.33 3gxd s HIS 451 Cb -0.13 -3.22 0.12 0.00 1.11 0.00 0.00 32.58 30.46 3gxd s HIS 451 CO -0.05 -2.62 1.58 -1.35 -0.85 0.00 0.00 174.74 171.45 3gxd h PRO 452 N -1.73 -0.14 0.00 8.40 0.11 -1.89 0.17 132.00 136.93 3gxd h PRO 452 Ca -0.46 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gxd h PRO 452 Cb 1.27 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3gxd h PRO 452 CO 0.46 -0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 177.76 3gxd n ASP 453 N -5.43 0.00 -0.23 -2.05 5.68 -1.26 -4.82 116.55 108.44 3gxd n ASP 453 Ca 0.05 -0.29 -0.03 0.00 -0.50 0.00 0.00 54.79 54.02 3gxd n ASP 453 Cb 0.36 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.33 3gxd n ASP 453 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gxd n GLY 454 N -0.46 0.61 3.83 6.12 0.00 0.60 -5.02 105.19 110.87 3gxd n GLY 454 Ca 0.02 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.58 4.75 0.03 1.61 1.04 -1.26 -4.56 113.70 112.74 3gxd s SER 455 Ca 0.00 1.21 -0.01 0.00 0.48 0.00 0.00 55.95 57.63 3gxd s SER 455 Cb 0.00 -1.94 -0.04 0.00 0.10 0.00 0.00 66.02 64.14 3gxd s SER 455 CO 0.00 -1.79 0.17 0.00 0.98 0.00 0.00 173.24 172.60 3gxd s ALA 456 N -3.25 3.90 -0.04 5.32 0.00 -0.30 -1.58 121.76 125.81 3gxd s ALA 456 Ca 0.60 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 3gxd s ALA 456 Cb -0.13 -1.78 0.02 0.00 0.00 0.00 0.00 23.12 21.23 3gxd s ALA 456 CO 0.53 0.78 0.11 0.54 0.00 0.00 0.00 175.76 177.72 3gxd s VAL 457 N -1.41 -0.02 -0.04 0.00 0.11 -0.73 -1.90 120.40 116.41 3gxd s VAL 457 Ca 0.31 0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 59.42 3gxd s VAL 457 Cb -0.13 -0.17 0.03 0.00 -1.53 0.00 0.00 36.38 34.58 3gxd s VAL 457 CO 0.23 0.03 0.04 -0.69 -3.33 0.00 0.00 175.10 171.39 3gxd s VAL 458 N 0.48 -0.03 -0.18 2.04 1.01 -0.46 -0.54 120.40 122.71 3gxd s VAL 458 Ca -0.04 0.34 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 3gxd s VAL 458 Cb -0.05 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 36.10 3gxd s VAL 458 CO -0.02 0.17 0.21 -0.69 0.00 0.00 0.00 175.10 174.77 3gxd s VAL 459 N 1.86 5.36 -0.07 2.92 1.01 -0.68 -0.22 120.40 130.58 3gxd s VAL 459 Ca 0.01 0.36 0.05 0.00 0.00 0.00 0.00 61.98 62.40 3gxd s VAL 459 Cb -0.12 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.71 3gxd s VAL 459 CO -0.03 0.42 -0.22 -0.69 0.00 0.00 0.00 175.10 174.58 3gxd s VAL 460 N 0.40 1.83 -0.07 2.92 1.01 -0.39 -2.04 120.40 124.04 3gxd s VAL 460 Ca 0.12 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.24 3gxd s VAL 460 Cb -0.12 -1.57 -0.00 0.00 0.00 0.00 0.00 36.38 34.69 3gxd s VAL 460 CO 0.01 0.51 -0.23 -0.22 0.00 0.00 0.00 175.10 175.17 3gxd s LEU 461 N 0.15 2.04 -0.69 3.92 2.96 0.71 -0.55 118.68 127.21 3gxd s LEU 461 Ca -0.10 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.32 3gxd s LEU 461 Cb -0.15 -1.32 0.17 0.00 0.50 0.00 0.00 46.19 45.39 3gxd s LEU 461 CO 0.05 0.19 0.50 0.21 -1.32 0.00 0.00 176.35 175.98 3gxd s ASN 462 N 0.11 5.03 0.00 3.68 3.84 -0.14 -1.40 114.94 126.07 3gxd s ASN 462 Ca -0.11 -3.49 0.00 0.00 0.21 0.00 0.00 52.86 49.47 3gxd s ASN 462 Cb -0.15 -1.73 0.00 0.00 -0.55 0.00 0.00 41.25 38.81 3gxd s ASN 462 CO 0.06 -0.18 0.49 0.54 -2.79 0.00 0.00 177.10 175.22 3gxd n ARG 463 N 2.53 0.64 -4.50 0.43 1.74 -1.26 -0.80 116.66 115.44 3gxd n ARG 463 Ca 0.15 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.99 3gxd n ARG 463 Cb 0.35 -1.24 -0.10 0.00 -1.02 0.00 0.00 32.46 30.44 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 0.37 3.32 0.46 0.55 1.04 -1.26 -4.91 113.70 113.28 3gxd s SER 464 Ca 0.00 -1.20 0.26 0.00 0.48 0.00 0.00 55.95 55.49 3gxd s SER 464 Cb 0.00 -0.27 0.64 0.00 0.10 0.00 0.00 66.02 66.49 3gxd s SER 464 CO 0.00 -0.27 1.72 0.77 0.98 0.00 0.00 173.24 176.43 3gxd h SER 465 N 2.12 0.00 -3.28 7.02 4.64 -1.93 -0.46 113.55 121.66 3gxd h SER 465 Ca -0.41 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.24 3gxd h SER 465 Cb 1.24 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.21 3gxd h SER 465 CO 0.69 0.00 -0.62 -0.54 -0.87 0.00 0.00 176.83 175.49 3gxd s LYS 466 N -3.33 2.89 0.25 4.77 -0.14 -1.26 -4.29 119.74 118.62 3gxd s LYS 466 Ca 0.05 -0.55 -0.30 0.00 -1.36 0.00 0.00 55.97 53.81 3gxd s LYS 466 Cb 0.06 -2.74 -0.10 0.00 -1.68 0.00 0.00 37.83 33.37 3gxd s LYS 466 CO 0.63 0.64 1.47 -0.51 -0.76 0.00 0.00 175.35 176.82 3gxd s ASP 467 N -1.53 6.61 -0.26 2.83 1.01 -1.26 -3.49 116.67 120.58 3gxd s ASP 467 Ca 0.20 2.70 0.00 0.00 0.71 0.00 0.00 52.55 56.16 3gxd s ASP 467 Cb -0.12 -2.62 0.04 0.00 1.01 0.00 0.00 42.92 41.23 3gxd s ASP 467 CO 0.10 -0.74 -0.08 -0.69 0.21 0.00 0.00 175.17 173.97 3gxd s VAL 468 N 0.08 2.54 0.48 -1.27 1.01 0.12 -4.90 120.40 118.46 3gxd s VAL 468 Ca 0.61 -1.32 -0.24 0.00 0.00 0.00 0.00 61.98 61.03 3gxd s VAL 468 Cb -0.43 -2.38 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 3gxd s VAL 468 CO 0.43 0.09 1.31 -2.84 0.00 0.00 0.00 175.10 174.09 3gxd s PRO 469 N 1.22 3.56 -0.16 2.72 0.02 -1.26 -0.03 135.00 141.07 3gxd s PRO 469 Ca -0.04 2.14 -0.12 0.00 0.02 0.00 0.00 61.00 63.00 3gxd s PRO 469 Cb -0.18 -2.47 0.05 0.00 0.02 0.00 0.00 34.50 31.91 3gxd s PRO 469 CO -0.05 -0.82 0.42 -1.17 -0.33 0.00 0.00 177.00 175.04 3gxd s LEU 470 N -3.02 0.20 -0.01 -5.54 2.96 -0.20 -3.96 118.68 109.11 3gxd s LEU 470 Ca 0.65 0.87 0.05 0.00 -0.22 0.00 0.00 54.13 55.47 3gxd s LEU 470 Cb -0.38 1.40 -0.03 0.00 0.50 0.00 0.00 46.19 47.69 3gxd s LEU 470 CO 0.47 -0.16 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.30 3gxd s THR 471 N 0.70 3.07 -0.14 3.68 2.01 -0.25 -1.48 115.64 123.23 3gxd s THR 471 Ca -0.04 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.10 3gxd s THR 471 Cb -0.05 -2.25 0.01 0.00 0.01 0.00 0.00 72.50 70.22 3gxd s THR 471 CO -0.05 0.48 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.53 3gxd s ILE 472 N -0.84 1.94 -0.18 1.82 1.01 -0.22 -1.30 121.20 123.43 3gxd s ILE 472 Ca 0.13 -0.90 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 3gxd s ILE 472 Cb -0.11 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 3gxd s ILE 472 CO 0.03 0.52 0.01 -0.75 0.00 0.00 0.00 174.94 174.76 3gxd s LYS 473 N 0.94 3.79 -0.33 2.79 2.20 0.58 -0.17 119.74 129.54 3gxd s LYS 473 Ca -0.05 -0.45 -0.09 0.00 -0.36 0.00 0.00 55.97 55.03 3gxd s LYS 473 Cb -0.15 -3.07 0.02 0.00 -1.51 0.00 0.00 37.83 33.11 3gxd s LYS 473 CO -0.04 0.21 0.14 0.34 -0.36 0.00 0.00 175.35 175.64 3gxd s ASP 474 N 0.50 5.46 0.40 1.43 -1.08 -0.77 -0.56 116.67 122.06 3gxd s ASP 474 Ca -0.00 -0.83 0.19 0.00 -0.52 0.00 0.00 52.55 51.38 3gxd s ASP 474 Cb -0.14 -1.96 1.12 0.00 -1.46 0.00 0.00 42.92 40.49 3gxd s ASP 474 CO 0.02 -0.28 1.77 1.55 0.52 0.00 0.00 175.17 178.75 3gxd h PRO 475 N 8.33 0.37 0.00 4.34 0.13 -1.82 0.73 132.00 144.08 3gxd h PRO 475 Ca -0.28 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.81 3gxd h PRO 475 Cb 1.12 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 3gxd h PRO 475 CO 0.63 0.24 -0.08 0.00 -0.23 0.00 0.00 178.00 178.56 3gxd h ALA 476 N 1.61 1.02 0.00 -0.56 0.00 -1.95 -3.40 119.26 115.99 3gxd h ALA 476 Ca 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3gxd h ALA 476 Cb 1.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3gxd h ALA 476 CO -0.29 0.10 -0.66 0.28 0.00 0.00 0.00 179.25 178.68 3gxd n VAL 477 N -3.21 0.00 0.00 0.00 0.31 0.05 -5.04 118.33 110.44 3gxd n VAL 477 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3gxd n VAL 477 Cb 0.34 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 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 2.69 0.26 3.19 2.92 0.00 -0.07 -4.68 105.19 109.51 3gxd n GLY 478 Ca 0.00 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.42 1.46 -0.36 1.61 0.40 0.42 -1.84 117.98 117.25 3gxd s PHE 479 Ca 0.00 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 3gxd s PHE 479 Cb 0.00 -0.85 0.09 0.00 0.51 0.00 0.00 43.02 42.77 3gxd s PHE 479 CO 0.00 0.07 0.10 -1.17 0.70 0.00 0.00 175.22 174.92 3gxd s LEU 480 N -1.30 4.78 0.31 -0.37 0.20 0.76 0.23 118.68 123.28 3gxd s LEU 480 Ca 0.03 -1.93 -0.25 0.00 0.69 0.00 0.00 54.13 52.68 3gxd s LEU 480 Cb -0.09 -1.72 -0.10 0.00 -0.43 0.00 0.00 46.19 43.85 3gxd s LEU 480 CO 0.02 -0.42 0.91 -1.61 -0.29 0.00 0.00 176.35 174.95 3gxd s GLU 481 N 1.07 4.53 -0.01 1.98 0.41 -1.26 -1.06 118.70 124.36 3gxd s GLU 481 Ca 0.06 1.25 -0.29 0.00 -0.41 0.00 0.00 54.97 55.58 3gxd s GLU 481 Cb -0.21 -2.81 0.11 0.00 -1.78 0.00 0.00 34.13 29.44 3gxd s GLU 481 CO -0.05 0.30 1.28 -0.08 -0.49 0.00 0.00 175.26 176.22 3gxd s THR 482 N -1.60 0.00 -0.01 3.63 -1.32 -0.55 -4.98 115.64 110.81 3gxd s THR 482 Ca 0.49 -0.21 0.03 0.00 -1.21 0.00 0.00 61.69 60.78 3gxd s THR 482 Cb -0.18 -2.49 -0.00 0.00 -1.51 0.00 0.00 72.50 68.32 3gxd s THR 482 CO 0.23 0.00 -0.08 -0.63 -2.21 0.00 0.00 174.62 171.93 3gxd s ILE 483 N -2.22 0.67 -0.47 5.08 1.01 -1.26 -1.03 121.20 122.99 3gxd s ILE 483 Ca 0.22 -0.35 -0.10 0.00 0.00 0.00 0.00 60.65 60.41 3gxd s ILE 483 Cb 0.02 -0.57 0.11 0.00 0.01 0.00 0.00 42.46 42.03 3gxd s ILE 483 CO -0.02 0.20 0.35 -0.55 0.00 0.00 0.00 174.94 174.92 3gxd s SER 484 N -0.13 5.77 0.64 3.58 0.15 0.96 -4.93 113.70 119.74 3gxd s SER 484 Ca 0.02 -1.81 -0.18 0.00 0.70 0.00 0.00 55.95 54.68 3gxd s SER 484 Cb -0.04 -2.04 -0.02 0.00 -1.71 0.00 0.00 66.02 62.21 3gxd s SER 484 CO -0.00 -0.69 1.13 -2.65 1.20 0.00 0.00 173.24 172.23 3gxd n PRO 485 N 4.96 0.96 -1.57 5.44 -0.02 -1.26 0.14 135.00 143.65 3gxd n PRO 485 Ca -0.09 0.38 -0.47 0.00 -2.02 0.00 0.00 63.50 61.30 3gxd n PRO 485 Cb 0.41 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 3gxd n PRO 485 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxd n GLY 486 N 1.09 -0.27 3.46 -1.23 0.00 -1.23 -2.91 105.19 104.10 3gxd n GLY 486 Ca 0.15 0.42 -0.18 0.00 0.00 0.00 0.00 46.02 46.40 3gxd n GLY 486 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxd n TYR 487 N 0.74 -2.18 -4.15 1.61 0.53 0.02 -4.77 117.16 108.96 3gxd n TYR 487 Ca 0.13 0.87 -0.10 0.00 -1.02 0.00 0.00 57.90 57.78 3gxd n TYR 487 Cb 0.28 -4.62 -0.10 0.00 -1.03 0.00 0.00 39.34 33.87 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 -4.08 1.00 -0.06 7.72 1.04 -1.14 -2.03 113.70 116.14 3gxd s SER 488 Ca 0.14 -0.99 -0.00 0.00 0.48 0.00 0.00 55.95 55.57 3gxd s SER 488 Cb -0.02 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.24 3gxd s SER 488 CO 0.76 -0.49 -0.03 -0.51 0.98 0.00 0.00 173.24 173.95 3gxd s ILE 489 N -3.62 0.51 -0.05 -1.02 2.07 -0.52 -0.96 121.20 117.61 3gxd s ILE 489 Ca 0.10 -0.03 0.03 0.00 -1.41 0.00 0.00 60.65 59.35 3gxd s ILE 489 Cb 0.05 -0.59 -0.03 0.00 0.13 0.00 0.00 42.46 42.02 3gxd s ILE 489 CO -0.06 0.25 -0.12 -1.00 -1.91 0.00 0.00 174.94 172.10 3gxd s HIS 490 N 1.47 2.76 -0.15 3.50 3.76 0.28 -2.54 115.29 124.37 3gxd s HIS 490 Ca -0.02 -0.12 0.02 0.00 -0.15 0.00 0.00 55.06 54.79 3gxd s HIS 490 Cb -0.13 -1.64 0.02 0.00 1.11 0.00 0.00 32.58 31.94 3gxd s HIS 490 CO -0.03 0.23 -0.20 0.99 -0.85 0.00 0.00 174.74 174.88 3gxd s THR 491 N -0.77 1.95 0.01 1.30 2.01 -0.72 -1.26 115.64 118.15 3gxd s THR 491 Ca 0.12 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.23 3gxd s THR 491 Cb -0.11 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 3gxd s THR 491 CO 0.01 0.53 0.06 -0.31 -0.69 0.00 0.00 174.62 174.21 3gxd s TYR 492 N 1.06 3.21 -0.04 4.92 1.51 0.69 -1.22 117.35 127.48 3gxd s TYR 492 Ca -0.02 0.15 -0.02 0.00 -1.01 0.00 0.00 57.07 56.17 3gxd s TYR 492 Cb -0.14 -1.70 0.02 0.00 -0.11 0.00 0.00 41.96 40.03 3gxd s TYR 492 CO -0.07 0.52 0.10 -0.51 -1.11 0.00 0.00 175.55 174.48 3gxd s LEU 493 N -1.77 1.21 0.05 -1.29 1.43 0.03 -1.36 118.68 116.97 3gxd s LEU 493 Ca 0.23 0.19 -0.14 0.00 -1.03 0.00 0.00 54.13 53.39 3gxd s LEU 493 Cb -0.12 0.25 0.02 0.00 0.03 0.00 0.00 46.19 46.37 3gxd s LEU 493 CO 0.14 -0.09 0.30 -1.66 0.23 0.00 0.00 176.35 175.27 3gxd s TRP 494 N 0.66 -0.09 0.44 0.29 -2.14 -0.80 -0.86 118.94 116.44 3gxd s TRP 494 Ca -0.05 -0.06 -0.22 0.00 2.66 0.00 0.00 56.10 58.42 3gxd s TRP 494 Cb -0.07 0.09 -0.09 0.00 -3.10 0.00 0.00 33.47 30.31 3gxd s TRP 494 CO -0.03 -0.51 1.05 -1.01 -2.66 0.00 0.00 176.95 173.78 3gxd s HIS 495 N -2.67 3.13 -0.11 1.66 3.76 -1.26 -1.15 115.29 118.66 3gxd s HIS 495 Ca -0.04 1.61 0.16 0.00 -0.15 0.00 0.00 55.06 56.64 3gxd s HIS 495 Cb -0.00 -3.10 -0.24 0.00 1.11 0.00 0.00 32.58 30.34 3gxd s HIS 495 CO -0.04 -0.74 0.40 0.54 -0.85 0.00 0.00 174.74 174.05 3gxd n ARG 496 N -0.51 0.64 0.00 1.40 1.74 -1.26 -4.67 116.66 114.00 3gxd n ARG 496 Ca 0.07 -0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3gxd n ARG 496 Cb 0.51 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 3gxd n ARG 496 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15