#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x5a s ILE 3 N 0.00 3.96 -0.45 12.58 1.01 -1.26 -5.08 121.20 131.96 2x5a s ILE 3 Ca 0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.22 2x5a s ILE 3 Cb 0.00 -2.80 0.08 0.00 0.01 0.00 0.00 42.46 39.75 2x5a s ILE 3 CO 0.00 0.42 0.33 -0.54 0.00 0.00 0.00 174.94 175.15 2x5a s LYS 4 N 1.11 2.78 0.13 2.79 -0.14 -1.26 -5.09 119.74 120.06 2x5a s LYS 4 Ca 0.03 -1.43 -0.19 0.00 -1.36 0.00 0.00 55.97 53.02 2x5a s LYS 4 Cb -0.14 -3.96 -0.07 0.00 -1.68 0.00 0.00 37.83 31.98 2x5a s LYS 4 CO 0.02 -1.01 0.62 -0.80 -0.76 0.00 0.00 175.35 173.42 2x5a s ASN 5 N 2.39 7.04 0.11 2.83 0.02 -1.26 -5.02 114.94 121.06 2x5a s ASN 5 Ca 0.04 1.29 0.00 0.00 -1.02 0.00 0.00 52.86 53.17 2x5a s ASN 5 Cb -0.24 -2.37 0.00 0.00 0.02 0.00 0.00 41.25 38.66 2x5a s ASN 5 CO 0.04 0.18 0.00 0.49 0.02 0.00 0.00 177.10 177.83 2x5a n PHE 6 N 1.30 -0.55 -1.26 2.20 3.01 -1.26 -4.76 117.46 116.13 2x5a n PHE 6 Ca -0.07 0.10 -0.37 0.00 1.01 0.00 0.00 57.45 58.11 2x5a n PHE 6 Cb 0.51 0.16 -0.03 0.00 -0.01 0.00 0.00 39.48 40.11 2x5a n PHE 6 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2x5a n THR 7 N -3.33 4.06 -3.92 4.37 -1.04 -1.26 -4.81 114.28 108.35 2x5a n THR 7 Ca 0.00 -2.46 -0.09 0.00 -2.04 0.00 0.00 64.05 59.46 2x5a n THR 7 Cb 0.10 -2.56 -0.08 0.00 -1.82 0.00 0.00 70.33 65.96 2x5a n THR 7 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2x5a s PHE 8 N 2.37 0.23 0.22 -1.42 0.40 -1.26 -5.16 117.98 113.36 2x5a s PHE 8 Ca 0.65 -0.64 -0.30 0.00 -0.60 0.00 0.00 56.93 56.04 2x5a s PHE 8 Cb 0.17 -0.15 -0.08 0.00 0.51 0.00 0.00 43.02 43.47 2x5a s PHE 8 CO -0.06 -0.46 1.10 -0.06 0.70 0.00 0.00 175.22 176.44 2x5a s PHE 9 N -3.46 3.60 -0.45 0.36 2.99 -1.26 -4.80 117.98 114.96 2x5a s PHE 9 Ca 0.02 1.64 -0.13 0.00 0.00 0.00 0.00 56.93 58.46 2x5a s PHE 9 Cb 0.04 -3.27 0.08 0.00 0.00 0.00 0.00 43.02 39.86 2x5a s PHE 9 CO -0.09 -0.57 0.34 -1.12 -0.00 0.00 0.00 175.22 173.78 2x5a s SER 10 N -0.42 5.93 0.14 1.36 0.01 -1.26 -4.78 113.70 114.69 2x5a s SER 10 Ca 0.47 -1.40 -0.18 0.00 1.31 0.00 0.00 55.95 56.16 2x5a s SER 10 Cb -0.30 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 63.83 2x5a s SER 10 CO 0.37 -0.60 1.76 -0.65 0.41 0.00 0.00 173.24 174.53 2x5a h PRO 11 N 8.61 0.28 -0.61 12.44 0.11 -1.99 -2.70 132.00 148.13 2x5a h PRO 11 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2x5a h PRO 11 Cb 1.10 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2x5a h PRO 11 CO 0.83 0.18 0.00 0.09 -0.21 0.00 0.00 178.00 178.89 2x5a n ASN 12 N -4.98 3.68 -2.94 -2.05 3.02 -1.26 -4.94 115.26 105.79 2x5a n ASN 12 Ca -0.01 -2.28 -0.22 0.00 -0.03 0.00 0.00 54.58 52.05 2x5a n ASN 12 Cb 0.08 -0.48 0.02 0.00 -0.61 0.00 0.00 39.78 38.79 2x5a n ASN 12 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2x5a n SER 13 N 0.91 -5.77 0.00 6.41 7.64 -1.02 -4.80 113.62 116.98 2x5a n SER 13 Ca 0.20 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2x5a n SER 13 Cb 0.68 -4.70 0.00 0.00 -1.01 0.00 0.00 64.21 59.18 2x5a n SER 13 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2x5a n THR 14 N -4.34 0.00 0.23 0.44 -2.24 -1.26 -4.99 114.28 102.12 2x5a n THR 14 Ca -0.13 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.48 2x5a n THR 14 Cb 0.62 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.76 2x5a n THR 14 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2x5a h GLU 15 N 0.00 -0.87 -2.95 -0.78 3.07 -1.88 -3.38 114.58 107.78 2x5a h GLU 15 Ca 0.00 0.06 -0.62 0.00 -0.50 0.00 0.00 59.36 58.30 2x5a h GLU 15 Cb 0.00 0.20 -0.42 0.00 -0.84 0.00 0.00 28.75 27.69 2x5a h GLU 15 CO 0.00 -0.58 -0.60 1.19 -1.40 0.00 0.00 179.01 177.62 2x5a n PHE 16 N -5.53 3.07 -2.82 4.33 3.72 -1.26 -5.02 117.46 113.95 2x5a n PHE 16 Ca -0.11 -4.25 -0.42 0.00 -0.05 0.00 0.00 57.45 52.63 2x5a n PHE 16 Cb 0.44 -0.57 -0.03 0.00 -0.94 0.00 0.00 39.48 38.37 2x5a n PHE 16 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2x5a s PRO 17 N -1.51 4.42 -0.29 -1.08 0.05 -1.26 -4.90 135.00 130.43 2x5a s PRO 17 Ca 0.27 1.20 -0.11 0.00 0.05 0.00 0.00 61.00 62.40 2x5a s PRO 17 Cb -0.02 -3.51 -0.04 0.00 0.05 0.00 0.00 34.50 30.98 2x5a s PRO 17 CO -0.15 -0.19 0.20 0.54 0.05 0.00 0.00 177.00 177.45 2x5a s VAL 18 N 1.59 5.28 0.74 -0.36 0.11 -1.26 -5.00 120.40 121.50 2x5a s VAL 18 Ca 0.44 0.06 -0.07 0.00 -2.93 0.00 0.00 61.98 59.48 2x5a s VAL 18 Cb -0.18 -3.57 0.09 0.00 -1.53 0.00 0.00 36.38 31.19 2x5a s VAL 18 CO 0.19 0.18 1.05 -0.83 -3.33 0.00 0.00 175.10 172.36 2x5a s GLY 19 N 1.75 1.71 0.30 6.54 0.00 -1.26 -4.93 107.32 111.43 2x5a s GLY 19 Ca 0.07 -1.08 0.01 0.00 0.00 0.00 0.00 44.72 43.71 2x5a s GLY 19 CO 0.11 -0.61 1.84 1.48 0.00 0.00 0.00 173.10 175.91 2x5a h SER 20 N -0.72 0.67 0.20 1.64 4.64 -1.99 -1.82 113.55 116.17 2x5a h SER 20 Ca -0.43 -0.13 -0.23 0.00 -0.47 0.00 0.00 61.79 60.53 2x5a h SER 20 Cb 1.30 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 63.22 2x5a h SER 20 CO 0.54 0.69 -0.91 -0.55 -0.87 0.00 0.00 176.83 175.74 2x5a h ASN 21 N 0.68 0.65 -0.45 4.97 -1.07 -1.95 -0.83 115.58 117.59 2x5a h ASN 21 Ca 0.15 -0.50 -0.06 0.00 0.07 0.00 0.00 56.30 55.96 2x5a h ASN 21 Cb 0.33 -0.20 -0.02 0.00 -2.07 0.00 0.00 38.32 36.36 2x5a h ASN 21 CO 0.01 1.29 0.05 0.78 0.07 0.00 0.00 177.43 179.63 2x5a h ASN 22 N 0.31 0.73 0.19 6.14 -0.26 -1.85 0.04 115.58 120.88 2x5a h ASN 22 Ca -0.08 -0.27 -0.19 0.00 -0.56 0.00 0.00 56.30 55.20 2x5a h ASN 22 Cb 1.54 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 38.60 2x5a h ASN 22 CO 0.17 0.82 -0.73 0.44 -1.06 0.00 0.00 177.43 177.07 2x5a h ASP 23 N 0.61 0.56 -0.37 5.81 5.19 -1.40 -2.45 116.42 124.37 2x5a h ASP 23 Ca 0.13 -0.36 0.03 0.00 -0.62 0.00 0.00 57.03 56.21 2x5a h ASP 23 Cb 0.41 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.73 2x5a h ASP 23 CO 0.01 1.11 0.19 1.23 -3.12 0.00 0.00 179.24 178.66 2x5a h GLY 24 N 1.17 0.51 1.38 2.75 0.00 -0.88 0.76 103.07 108.74 2x5a h GLY 24 Ca -0.03 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 2x5a h GLY 24 CO 0.13 0.10 -0.26 0.50 0.00 0.00 0.00 176.54 177.02 2x5a h LYS 25 N 0.39 0.71 -0.09 4.80 1.57 -1.01 -2.76 116.57 120.18 2x5a h LYS 25 Ca 0.16 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2x5a h LYS 25 Cb 0.06 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2x5a h LYS 25 CO -0.10 0.90 0.05 1.25 -0.57 0.00 0.00 179.45 180.97 2x5a h LEU 26 N 0.62 0.11 -1.20 2.94 5.85 -0.94 -2.89 115.31 119.80 2x5a h LEU 26 Ca 0.08 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 2x5a h LEU 26 Cb 0.76 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 2x5a h LEU 26 CO 0.06 0.17 0.12 1.88 -0.34 0.00 0.00 178.44 180.33 2x5a h TYR 27 N 0.04 0.69 -0.34 1.25 0.05 -0.83 -2.87 116.97 114.97 2x5a h TYR 27 Ca 0.03 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 2x5a h TYR 27 Cb 0.09 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 2x5a h TYR 27 CO -0.04 0.59 0.14 0.52 -1.05 0.00 0.00 178.16 178.32 2x5a h MET 28 N 0.67 0.50 -0.22 4.88 2.86 -1.40 -2.96 114.93 119.26 2x5a h MET 28 Ca 0.15 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 2x5a h MET 28 Cb 0.23 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2x5a h MET 28 CO -0.01 0.49 -0.16 0.52 1.06 0.00 0.00 176.91 178.81 2x5a h MET 29 N 0.40 0.37 -0.09 1.72 2.86 -1.39 0.71 114.93 119.51 2x5a h MET 29 Ca 0.11 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 2x5a h MET 29 Cb 0.17 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 2x5a h MET 29 CO -0.01 0.53 -0.05 -0.07 1.06 0.00 0.00 176.91 178.37 2x5a h LEU 30 N 0.34 0.20 0.00 1.22 3.38 -1.43 -3.28 115.31 115.74 2x5a h LEU 30 Ca 0.06 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 2x5a h LEU 30 Cb 0.49 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2x5a h LEU 30 CO 0.03 0.58 -0.44 0.00 0.09 0.00 0.00 178.44 178.70 2x5a h THR 31 N -0.19 0.14 -3.29 0.22 1.03 -1.50 -3.49 112.91 105.83 2x5a h THR 31 Ca 0.02 -1.21 -0.03 0.00 -0.01 0.00 0.00 66.41 65.18 2x5a h THR 31 Cb 0.51 1.91 0.02 0.00 -1.07 0.00 0.00 68.15 69.53 2x5a h THR 31 CO 0.01 0.08 -0.10 0.61 -0.01 0.00 0.00 175.52 176.11 2x5a n GLY 32 N 1.16 0.67 3.31 2.99 0.00 0.16 -4.65 105.19 108.82 2x5a n GLY 32 Ca 0.02 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 2x5a n GLY 32 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2x5a s MET 33 N -3.16 1.21 0.21 1.61 0.23 -0.68 -0.31 119.30 118.41 2x5a s MET 33 Ca 0.05 -1.41 0.02 0.00 -1.03 0.00 0.00 55.69 53.32 2x5a s MET 33 Cb -0.01 -1.14 0.02 0.00 -1.53 0.00 0.00 34.83 32.17 2x5a s MET 33 CO 0.09 0.22 0.15 -0.40 -2.03 0.00 0.00 175.02 173.04 2x5a n ASP 34 N 0.18 1.68 -0.05 -1.18 5.68 -1.26 -4.70 116.55 116.90 2x5a n ASP 34 Ca -0.12 -1.71 0.13 0.00 -0.50 0.00 0.00 54.79 52.58 2x5a n ASP 34 Cb 0.58 -0.01 0.75 0.00 -1.14 0.00 0.00 41.12 41.30 2x5a n ASP 34 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 2x5a n TYR 35 N -0.97 0.01 0.67 2.11 4.01 -1.26 -3.47 117.16 118.25 2x5a n TYR 35 Ca -0.01 -0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.82 2x5a n TYR 35 Cb 0.24 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.14 2x5a n TYR 35 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2x5a n ARG 36 N -0.80 0.64 -4.53 -0.72 1.74 -1.26 -4.03 116.66 107.70 2x5a n ARG 36 Ca 0.20 -0.05 -0.26 0.00 -0.77 0.00 0.00 57.85 56.97 2x5a n ARG 36 Cb 0.12 -1.42 -0.10 0.00 -1.02 0.00 0.00 32.46 30.03 2x5a n ARG 36 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2x5a s THR 37 N -2.96 2.30 0.40 0.55 -1.32 -1.23 -4.84 115.64 108.54 2x5a s THR 37 Ca 0.03 -2.25 0.04 0.00 -1.21 0.00 0.00 61.69 58.31 2x5a s THR 37 Cb 0.14 -2.58 -0.04 0.00 -1.51 0.00 0.00 72.50 68.51 2x5a s THR 37 CO 0.80 -0.24 0.06 0.27 -2.21 0.00 0.00 174.62 173.30 2x5a s ILE 38 N -2.59 1.12 -0.27 5.08 -0.00 -1.26 -4.54 121.20 118.73 2x5a s ILE 38 Ca 0.32 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.97 2x5a s ILE 38 Cb 0.01 -2.54 0.08 0.00 -0.00 0.00 0.00 42.46 40.00 2x5a s ILE 38 CO 0.16 0.00 0.03 -0.13 -0.00 0.00 0.00 174.94 175.00 2x5a s ARG 39 N -3.80 1.16 -0.04 0.37 1.81 -0.99 -4.63 118.95 112.83 2x5a s ARG 39 Ca 0.25 -1.10 0.05 0.00 -1.72 0.00 0.00 55.73 53.22 2x5a s ARG 39 Cb 0.05 -2.43 -0.01 0.00 -0.45 0.00 0.00 34.95 32.12 2x5a s ARG 39 CO 0.13 -0.80 -0.19 0.50 -0.68 0.00 0.00 175.30 174.26 2x5a s ARG 40 N 1.45 1.81 -0.08 3.54 3.00 -1.26 -0.32 118.95 127.09 2x5a s ARG 40 Ca 0.03 -0.68 -0.03 0.00 -1.00 0.00 0.00 55.73 54.05 2x5a s ARG 40 Cb -0.18 -1.62 0.04 0.00 0.00 0.00 0.00 34.95 33.19 2x5a s ARG 40 CO -0.13 0.32 0.15 0.21 0.00 0.00 0.00 175.30 175.85 2x5a s LYS 41 N -0.16 0.05 -0.63 5.12 2.47 -0.89 -5.03 119.74 120.68 2x5a s LYS 41 Ca 0.00 0.48 -0.21 0.00 -1.56 0.00 0.00 55.97 54.69 2x5a s LYS 41 Cb -0.10 -0.24 0.09 0.00 -1.46 0.00 0.00 37.83 36.12 2x5a s LYS 41 CO 0.01 -0.25 0.84 -0.51 0.16 0.00 0.00 175.35 175.60 2x5a s ASP 42 N 1.82 6.20 0.24 1.43 1.01 -1.26 -2.19 116.67 123.91 2x5a s ASP 42 Ca -0.02 -1.26 -0.00 0.00 0.71 0.00 0.00 52.55 51.98 2x5a s ASP 42 Cb -0.12 -2.36 0.28 0.00 1.01 0.00 0.00 42.92 41.73 2x5a s ASP 42 CO -0.06 -1.26 1.63 -0.50 0.21 0.00 0.00 175.17 175.19 2x5a h TRP 43 N 9.34 0.61 -3.44 4.23 4.06 -1.70 -3.42 115.95 125.63 2x5a h TRP 43 Ca -0.27 -0.16 -0.42 0.00 2.06 0.00 0.00 58.89 60.09 2x5a h TRP 43 Cb 1.08 -0.14 -0.34 0.00 -1.00 0.00 0.00 29.16 28.76 2x5a h TRP 43 CO 0.91 0.82 -0.78 -1.54 -3.56 0.00 0.00 178.44 174.29 2x5a s SER 44 N -6.84 1.07 0.06 -3.49 1.04 -1.16 -5.05 113.70 99.33 2x5a s SER 44 Ca -0.07 -0.14 -0.35 0.00 0.48 0.00 0.00 55.95 55.86 2x5a s SER 44 Cb 0.13 -0.48 -0.15 0.00 0.10 0.00 0.00 66.02 65.62 2x5a s SER 44 CO 0.81 -0.06 1.55 -0.24 0.98 0.00 0.00 173.24 176.29 2x5a n SER 45 N 4.11 2.60 -4.77 7.02 2.88 -1.26 -3.98 113.62 120.22 2x5a n SER 45 Ca -0.23 1.08 -0.40 0.00 -1.33 0.00 0.00 58.87 57.99 2x5a n SER 45 Cb 0.51 -1.32 -0.01 0.00 -0.75 0.00 0.00 64.21 62.64 2x5a n SER 45 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 2x5a s PRO 46 N 1.42 4.12 -0.07 -1.46 0.02 -1.26 -4.66 135.00 133.10 2x5a s PRO 46 Ca 0.84 2.15 -0.15 0.00 0.02 0.00 0.00 61.00 63.86 2x5a s PRO 46 Cb -0.81 -2.86 -0.05 0.00 0.02 0.00 0.00 34.50 30.80 2x5a s PRO 46 CO 0.45 -0.37 0.38 -0.51 -0.33 0.00 0.00 177.00 176.62 2x5a s LEU 47 N -2.20 4.37 -0.34 -5.54 1.43 -0.19 -4.93 118.68 111.28 2x5a s LEU 47 Ca 0.54 0.79 -0.06 0.00 -1.03 0.00 0.00 54.13 54.36 2x5a s LEU 47 Cb -0.38 -2.53 0.04 0.00 0.03 0.00 0.00 46.19 43.35 2x5a s LEU 47 CO 0.49 0.20 0.10 0.20 0.23 0.00 0.00 176.35 177.57 2x5a s ASN 48 N -0.29 5.31 -0.21 2.29 0.01 -1.26 -0.54 114.94 120.24 2x5a s ASN 48 Ca 0.22 -1.15 0.02 0.00 -0.71 0.00 0.00 52.86 51.24 2x5a s ASN 48 Cb -0.15 -1.86 0.04 0.00 0.41 0.00 0.00 41.25 39.68 2x5a s ASN 48 CO 0.10 -0.33 -0.16 -0.89 -1.51 0.00 0.00 177.10 174.31 2x5a s THR 49 N 1.40 2.08 0.00 1.60 2.01 -0.90 -4.96 115.64 116.87 2x5a s THR 49 Ca -0.02 -1.24 0.00 0.00 0.31 0.00 0.00 61.69 60.74 2x5a s THR 49 Cb -0.20 -2.03 0.00 0.00 0.01 0.00 0.00 72.50 70.28 2x5a s THR 49 CO 0.03 0.28 0.00 0.00 -0.69 0.00 0.00 174.62 174.23 2x5a n ALA 50 N 4.54 0.00 -1.52 7.40 0.00 -1.26 -2.40 120.51 127.28 2x5a n ALA 50 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.99 2x5a n ALA 50 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.86 2x5a n ALA 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2x5a n LEU 51 N 0.00 6.54 -3.79 0.00 4.77 -1.22 -3.89 117.00 119.41 2x5a n LEU 51 Ca 0.00 -4.11 -0.13 0.00 -0.03 0.00 0.00 56.01 51.75 2x5a n LEU 51 Cb 0.00 -1.24 -0.10 0.00 -2.33 0.00 0.00 43.42 39.75 2x5a n LEU 51 CO 0.00 1.75 -0.06 0.20 -1.33 0.00 0.00 177.39 177.95 2x5a s ASN 52 N 0.34 -0.22 -0.18 -1.43 0.01 -1.01 -0.47 114.94 111.99 2x5a s ASN 52 Ca 0.59 0.33 0.01 0.00 -0.71 0.00 0.00 52.86 53.07 2x5a s ASN 52 Cb 0.38 0.45 0.03 0.00 0.41 0.00 0.00 41.25 42.52 2x5a s ASN 52 CO -0.22 -0.22 -0.12 0.54 -1.51 0.00 0.00 177.10 175.57 2x5a s VAL 53 N -0.43 1.66 -0.28 1.60 0.11 -0.82 -2.13 120.40 120.11 2x5a s VAL 53 Ca -0.05 -0.89 -0.11 0.00 -2.93 0.00 0.00 61.98 58.00 2x5a s VAL 53 Cb -0.04 -1.66 -0.05 0.00 -1.53 0.00 0.00 36.38 33.11 2x5a s VAL 53 CO 0.01 0.28 0.18 -1.58 -3.33 0.00 0.00 175.10 170.67 2x5a s GLN 54 N 1.41 3.95 -0.81 1.54 0.74 0.29 -1.36 119.66 125.42 2x5a s GLN 54 Ca 0.01 -0.32 -0.21 0.00 0.05 0.00 0.00 55.36 54.89 2x5a s GLN 54 Cb -0.15 -3.64 0.10 0.00 1.10 0.00 0.00 33.01 30.42 2x5a s GLN 54 CO -0.09 -0.17 1.07 0.71 -0.55 0.00 0.00 175.29 176.26 2x5a s TYR 55 N 1.72 2.89 0.13 1.67 2.02 -0.45 -1.02 117.35 124.31 2x5a s TYR 55 Ca 0.07 -0.99 -0.29 0.00 -0.37 0.00 0.00 57.07 55.49 2x5a s TYR 55 Cb -0.16 -4.31 -0.06 0.00 -0.40 0.00 0.00 41.96 37.04 2x5a s TYR 55 CO 0.10 -1.58 1.59 1.79 -1.57 0.00 0.00 175.55 175.88 2x5a h THR 56 N 5.96 0.16 -1.41 -0.71 1.35 -1.80 -0.25 112.91 116.21 2x5a h THR 56 Ca -0.04 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.72 2x5a h THR 56 Cb 1.04 0.16 -0.25 0.00 -1.73 0.00 0.00 68.15 67.37 2x5a h THR 56 CO 1.16 0.00 -0.47 0.21 -0.25 0.00 0.00 175.52 176.17 2x5a s ASN 57 N -4.87 -0.46 -0.07 5.36 2.47 -1.23 -1.42 114.94 114.72 2x5a s ASN 57 Ca -0.15 -0.16 -0.01 0.00 0.42 0.00 0.00 52.86 52.95 2x5a s ASN 57 Cb 0.09 1.50 0.03 0.00 -1.45 0.00 0.00 41.25 41.42 2x5a s ASN 57 CO 0.64 -0.33 0.01 -0.89 -3.72 0.00 0.00 177.10 172.81 2x5a s THR 58 N 2.65 0.32 -0.11 -5.21 2.01 -0.92 -1.60 115.64 112.78 2x5a s THR 58 Ca 0.10 0.15 -0.11 0.00 0.31 0.00 0.00 61.69 62.14 2x5a s THR 58 Cb -0.11 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.87 2x5a s THR 58 CO -0.28 0.25 0.25 -0.44 -0.69 0.00 0.00 174.62 173.70 2x5a s SER 59 N 1.94 6.48 -0.04 3.53 0.01 -0.93 -0.31 113.70 124.38 2x5a s SER 59 Ca 0.04 0.57 0.02 0.00 1.31 0.00 0.00 55.95 57.89 2x5a s SER 59 Cb -0.12 -2.15 0.01 0.00 0.21 0.00 0.00 66.02 63.97 2x5a s SER 59 CO -0.05 0.27 -0.08 -0.63 0.41 0.00 0.00 173.24 173.16 2x5a s ILE 60 N -0.44 0.75 -0.52 1.44 1.01 -0.09 -2.09 121.20 121.26 2x5a s ILE 60 Ca 0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.48 2x5a s ILE 60 Cb -0.13 -0.70 0.14 0.00 0.01 0.00 0.00 42.46 41.77 2x5a s ILE 60 CO 0.06 0.25 0.33 -0.63 0.00 0.00 0.00 174.94 174.95 2x5a s ILE 61 N 0.49 3.55 -0.22 2.92 1.01 0.56 -1.88 121.20 127.64 2x5a s ILE 61 Ca -0.08 -2.50 -0.04 0.00 0.00 0.00 0.00 60.65 58.03 2x5a s ILE 61 Cb -0.12 -3.37 -0.01 0.00 0.01 0.00 0.00 42.46 38.97 2x5a s ILE 61 CO 0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 174.94 174.13 2x5a s ALA 62 N 0.55 2.87 -1.40 9.38 0.00 -0.93 -2.34 121.76 129.89 2x5a s ALA 62 Ca 0.12 -1.13 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 2x5a s ALA 62 Cb -0.22 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.17 2x5a s ALA 62 CO -0.04 -0.37 0.15 0.41 0.00 0.00 0.00 175.76 175.92 2x5a n GLY 63 N 4.68 -0.32 2.28 0.00 0.00 -1.26 -2.00 105.19 108.56 2x5a n GLY 63 Ca -0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 2x5a n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x5a n GLY 64 N -1.13 0.42 3.41 -0.02 0.00 -1.26 -4.69 105.19 101.92 2x5a n GLY 64 Ca -0.17 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 2x5a n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x5a s ARG 65 N -0.85 3.45 0.05 1.61 1.81 -0.85 -4.26 118.95 119.92 2x5a s ARG 65 Ca 0.00 -0.62 -0.26 0.00 -1.72 0.00 0.00 55.73 53.14 2x5a s ARG 65 Cb 0.00 -3.36 -0.05 0.00 -0.45 0.00 0.00 34.95 31.08 2x5a s ARG 65 CO 0.00 -0.29 0.79 -0.47 -0.68 0.00 0.00 175.30 174.65 2x5a s TYR 66 N 1.58 3.74 -0.06 -0.53 5.04 -1.26 -2.19 117.35 123.68 2x5a s TYR 66 Ca 0.05 1.51 -0.20 0.00 -2.44 0.00 0.00 57.07 55.99 2x5a s TYR 66 Cb -0.16 -2.85 0.04 0.00 0.35 0.00 0.00 41.96 39.34 2x5a s TYR 66 CO 0.03 0.26 0.46 -0.59 -1.34 0.00 0.00 175.55 174.37 2x5a s PHE 67 N -0.01 -0.39 -0.09 4.97 -0.12 -0.79 -5.02 117.98 116.53 2x5a s PHE 67 Ca 0.40 0.73 0.01 0.00 -0.05 0.00 0.00 56.93 58.02 2x5a s PHE 67 Cb -0.21 0.21 -0.02 0.00 -0.63 0.00 0.00 43.02 42.37 2x5a s PHE 67 CO 0.24 -0.43 -0.11 -1.21 -0.05 0.00 0.00 175.22 173.66 2x5a s GLU 68 N -0.96 2.93 -0.47 1.99 2.02 -1.26 -0.92 118.70 122.03 2x5a s GLU 68 Ca -0.10 -0.63 -0.13 0.00 0.02 0.00 0.00 54.97 54.13 2x5a s GLU 68 Cb -0.03 -2.56 0.09 0.00 0.10 0.00 0.00 34.13 31.72 2x5a s GLU 68 CO 0.05 0.49 0.37 -0.51 0.02 0.00 0.00 175.26 175.68 2x5a s LEU 69 N -0.36 5.59 -0.47 1.80 1.43 0.57 -4.99 118.68 122.25 2x5a s LEU 69 Ca 0.04 -1.51 -0.07 0.00 -1.03 0.00 0.00 54.13 51.57 2x5a s LEU 69 Cb -0.12 -2.12 0.12 0.00 0.03 0.00 0.00 46.19 44.10 2x5a s LEU 69 CO 0.02 -0.65 0.32 -0.76 0.23 0.00 0.00 176.35 175.51 2x5a s LEU 70 N 1.55 5.58 -1.47 1.79 1.43 -1.26 -2.17 118.68 124.13 2x5a s LEU 70 Ca 0.04 -2.03 -0.08 0.00 -1.03 0.00 0.00 54.13 51.04 2x5a s LEU 70 Cb -0.25 -1.96 0.03 0.00 0.03 0.00 0.00 46.19 44.04 2x5a s LEU 70 CO 0.04 -0.63 0.76 0.59 0.23 0.00 0.00 176.35 177.34 2x5a n ASN 71 N 4.71 -5.63 -4.56 2.29 4.13 -0.12 -4.97 115.26 111.11 2x5a n ASN 71 Ca -0.05 -0.42 -0.43 0.00 1.68 0.00 0.00 54.58 55.36 2x5a n ASN 71 Cb 0.41 -4.52 -0.05 0.00 -1.54 0.00 0.00 39.78 34.08 2x5a n ASN 71 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2x5a s GLU 72 N -6.01 3.55 -0.07 3.52 2.56 -1.11 -4.80 118.70 116.34 2x5a s GLU 72 Ca 0.43 0.14 -0.14 0.00 0.00 0.00 0.00 54.97 55.40 2x5a s GLU 72 Cb -0.20 -3.90 -0.05 0.00 2.00 0.00 0.00 34.13 31.98 2x5a s GLU 72 CO 0.53 -1.12 0.36 0.99 -0.56 0.00 0.00 175.26 175.47 2x5a s THR 73 N 3.50 5.18 -0.12 -1.70 2.01 -1.26 -1.34 115.64 121.91 2x5a s THR 73 Ca 0.34 0.72 0.02 0.00 0.31 0.00 0.00 61.69 63.08 2x5a s THR 73 Cb -0.11 -3.68 0.01 0.00 0.01 0.00 0.00 72.50 68.74 2x5a s THR 73 CO 0.23 0.49 -0.16 0.54 -0.69 0.00 0.00 174.62 175.03 2x5a s VAL 74 N -0.39 1.58 0.46 3.82 0.11 -0.47 -4.96 120.40 120.55 2x5a s VAL 74 Ca 0.21 -0.68 -0.24 0.00 -2.93 0.00 0.00 61.98 58.34 2x5a s VAL 74 Cb -0.15 -1.44 -0.07 0.00 -1.53 0.00 0.00 36.38 33.19 2x5a s VAL 74 CO 0.09 0.46 1.31 0.00 -3.33 0.00 0.00 175.10 173.63 2x5a s ALA 75 N 1.02 3.07 0.33 1.54 0.00 -1.26 -1.94 121.76 124.51 2x5a s ALA 75 Ca -0.05 1.23 0.10 0.00 0.00 0.00 0.00 51.96 53.24 2x5a s ALA 75 Cb -0.15 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.41 2x5a s ALA 75 CO -0.03 -0.99 -0.12 -0.51 0.00 0.00 0.00 175.76 174.11 2x5a s LEU 76 N -2.91 2.70 -0.13 0.00 1.43 0.38 -4.58 118.68 115.58 2x5a s LEU 76 Ca 0.63 -1.14 -0.14 0.00 -1.03 0.00 0.00 54.13 52.45 2x5a s LEU 76 Cb -0.37 -1.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.75 2x5a s LEU 76 CO 0.46 -0.13 0.32 -0.75 0.23 0.00 0.00 176.35 176.48 2x5a s LYS 77 N -3.58 4.17 0.20 1.70 2.20 -1.26 -4.87 119.74 118.29 2x5a s LYS 77 Ca 0.32 0.17 -0.31 0.00 -0.36 0.00 0.00 55.97 55.79 2x5a s LYS 77 Cb 0.00 -3.38 -0.10 0.00 -1.51 0.00 0.00 37.83 32.84 2x5a s LYS 77 CO 0.16 0.32 1.46 0.20 -0.36 0.00 0.00 175.35 177.13 2x5a s GLY 78 N 0.18 2.05 -1.43 5.54 0.00 -1.26 -3.32 107.32 109.07 2x5a s GLY 78 Ca 0.19 1.29 -0.09 0.00 0.00 0.00 0.00 44.72 46.10 2x5a s GLY 78 CO 0.06 2.38 0.68 1.22 0.00 0.00 0.00 173.10 177.44 2x5a n ASP 79 N 3.12 -4.84 -4.24 1.64 8.00 0.11 -4.93 116.55 115.41 2x5a n ASP 79 Ca 0.10 -0.46 -0.14 0.00 0.71 0.00 0.00 54.79 55.00 2x5a n ASP 79 Cb 0.40 -3.92 -0.10 0.00 -0.02 0.00 0.00 41.12 37.48 2x5a n ASP 79 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2x5a s SER 80 N -2.89 1.66 -0.65 -2.24 0.01 -1.21 -4.93 113.70 103.46 2x5a s SER 80 Ca 0.45 -1.02 -0.19 0.00 1.31 0.00 0.00 55.95 56.49 2x5a s SER 80 Cb -0.22 0.01 0.11 0.00 0.21 0.00 0.00 66.02 66.13 2x5a s SER 80 CO 0.55 -0.37 0.80 -0.69 0.41 0.00 0.00 173.24 173.95 2x5a s VAL 81 N -3.39 4.76 -0.16 3.43 1.01 -1.26 -1.86 120.40 122.93 2x5a s VAL 81 Ca 0.16 -1.01 -0.24 0.00 0.00 0.00 0.00 61.98 60.89 2x5a s VAL 81 Cb 0.03 -4.56 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 2x5a s VAL 81 CO -0.00 -1.23 0.75 0.20 0.00 0.00 0.00 175.10 174.82 2x5a s ASN 82 N 3.56 6.89 -0.52 3.32 0.01 0.78 -4.70 114.94 124.28 2x5a s ASN 82 Ca 0.16 1.08 -0.16 0.00 -0.71 0.00 0.00 52.86 53.24 2x5a s ASN 82 Cb -0.20 -2.42 0.11 0.00 0.41 0.00 0.00 41.25 39.16 2x5a s ASN 82 CO 0.04 -0.32 0.47 -0.31 -1.51 0.00 0.00 177.10 175.48 2x5a s TYR 83 N 1.85 3.25 -0.15 2.20 2.02 0.43 -0.30 117.35 126.65 2x5a s TYR 83 Ca 0.36 -1.20 -0.29 0.00 -0.37 0.00 0.00 57.07 55.56 2x5a s TYR 83 Cb -0.17 -3.62 -0.01 0.00 -0.40 0.00 0.00 41.96 37.77 2x5a s TYR 83 CO 0.13 -0.96 1.19 0.42 -1.57 0.00 0.00 175.55 174.76 2x5a s ILE 84 N 1.61 4.39 0.06 2.71 -1.09 -0.23 -0.86 121.20 127.79 2x5a s ILE 84 Ca 0.03 1.69 0.06 0.00 -2.23 0.00 0.00 60.65 60.20 2x5a s ILE 84 Cb -0.28 -4.09 -0.04 0.00 -1.58 0.00 0.00 42.46 36.47 2x5a s ILE 84 CO 0.04 -0.11 -0.12 -1.00 -1.23 0.00 0.00 174.94 172.52 2x5a s HIS 85 N 3.09 2.72 -0.35 3.97 3.76 0.66 -2.05 115.29 127.10 2x5a s HIS 85 Ca 0.52 -0.16 -0.11 0.00 -0.15 0.00 0.00 55.06 55.16 2x5a s HIS 85 Cb -0.21 -1.49 0.01 0.00 1.11 0.00 0.00 32.58 32.00 2x5a s HIS 85 CO 0.14 0.36 0.21 0.00 -0.85 0.00 0.00 174.74 174.60 2x5a s ALA 86 N -1.07 3.35 -0.27 -1.40 0.00 -0.47 -2.07 121.76 119.84 2x5a s ALA 86 Ca 0.18 -1.53 -0.08 0.00 0.00 0.00 0.00 51.96 50.53 2x5a s ALA 86 Cb -0.11 -2.58 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 2x5a s ALA 86 CO 0.09 -1.14 0.09 -0.80 0.00 0.00 0.00 175.76 174.01 2x5a s ASN 87 N 1.63 5.26 -0.23 0.00 0.01 0.55 -2.84 114.94 119.32 2x5a s ASN 87 Ca 0.04 -0.31 -0.04 0.00 -0.71 0.00 0.00 52.86 51.85 2x5a s ASN 87 Cb -0.18 -1.95 -0.01 0.00 0.41 0.00 0.00 41.25 39.53 2x5a s ASN 87 CO 0.08 -0.08 -0.03 -0.63 -1.51 0.00 0.00 177.10 174.92 2x5a s ILE 88 N 1.61 3.39 -0.28 0.60 1.01 -0.31 -1.16 121.20 126.06 2x5a s ILE 88 Ca 0.06 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.18 2x5a s ILE 88 Cb -0.16 -2.57 0.08 0.00 0.01 0.00 0.00 42.46 39.83 2x5a s ILE 88 CO 0.04 0.39 0.04 -0.62 0.00 0.00 0.00 174.94 174.79 2x5a s ASP 89 N 1.47 4.00 0.53 3.58 2.15 -0.61 -1.37 116.67 126.42 2x5a s ASP 89 Ca 0.05 -1.52 0.25 0.00 0.43 0.00 0.00 52.55 51.76 2x5a s ASP 89 Cb -0.15 -1.06 1.48 0.00 -0.30 0.00 0.00 42.92 42.89 2x5a s ASP 89 CO -0.03 -0.35 2.12 -0.07 -0.17 0.00 0.00 175.17 176.67 2x5a h LEU 90 N 7.98 0.00 -1.10 -1.34 3.38 -1.85 -2.60 115.31 119.78 2x5a h LEU 90 Ca -0.13 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 2x5a h LEU 90 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2x5a h LEU 90 CO 0.45 0.09 -0.29 0.71 0.09 0.00 0.00 178.44 179.49 2x5a h THR 91 N 0.00 1.26 -0.47 0.22 1.35 -1.95 -3.31 112.91 110.00 2x5a h THR 91 Ca -0.00 -1.23 -0.69 0.00 -0.55 0.00 0.00 66.41 63.94 2x5a h THR 91 Cb 0.22 1.48 -0.06 0.00 -1.73 0.00 0.00 68.15 68.05 2x5a h THR 91 CO 0.01 0.38 2.60 0.00 -0.25 0.00 0.00 175.52 178.25 2x5a n GLN 92 N -4.12 3.00 0.08 4.72 1.13 -0.98 -4.81 117.38 116.40 2x5a n GLN 92 Ca -0.01 -2.96 0.09 0.00 -1.94 0.00 0.00 57.00 52.19 2x5a n GLN 92 Cb 0.40 -3.41 0.56 0.00 0.11 0.00 0.00 30.24 27.90 2x5a n GLN 92 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2x5a h THR 93 N 4.89 0.97 -0.02 5.09 1.03 -1.81 -2.27 112.91 120.77 2x5a h THR 93 Ca 0.50 -0.08 -0.01 0.00 -0.01 0.00 0.00 66.41 66.80 2x5a h THR 93 Cb 0.77 0.71 -0.00 0.00 -1.07 0.00 0.00 68.15 68.56 2x5a h THR 93 CO 1.65 0.04 -0.04 0.00 -0.01 0.00 0.00 175.52 177.16 2x5a h ALA 94 N 1.83 0.04 -2.63 0.00 0.00 -1.93 -3.41 119.26 113.15 2x5a h ALA 94 Ca 0.13 -0.29 -0.59 0.00 0.00 0.00 0.00 54.91 54.17 2x5a h ALA 94 Cb 0.24 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 17.63 2x5a h ALA 94 CO -0.03 -0.16 -0.84 -0.80 0.00 0.00 0.00 179.25 177.42 2x5a s ASN 95 N -5.84 2.92 0.19 0.00 0.01 -1.14 -5.02 114.94 106.06 2x5a s ASN 95 Ca -0.16 -2.36 -0.03 0.00 -0.71 0.00 0.00 52.86 49.59 2x5a s ASN 95 Cb 0.02 -0.51 0.12 0.00 0.41 0.00 0.00 41.25 41.28 2x5a s ASN 95 CO 0.69 -0.29 1.51 -0.65 -1.51 0.00 0.00 177.10 176.86 2x5a h PRO 96 N 6.81 0.57 -5.65 -0.60 0.11 -1.62 -3.44 132.00 128.17 2x5a h PRO 96 Ca 0.07 -0.35 -0.58 0.00 0.11 0.00 0.00 66.00 65.25 2x5a h PRO 96 Cb 0.95 0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.01 2x5a h PRO 96 CO 0.31 0.96 -0.22 0.08 -0.21 0.00 0.00 178.00 178.92 2x5a s VAL 97 N -4.03 5.23 0.02 3.15 1.01 -1.26 -1.58 120.40 122.93 2x5a s VAL 97 Ca -0.07 0.78 0.01 0.00 0.00 0.00 0.00 61.98 62.69 2x5a s VAL 97 Cb 0.11 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 2x5a s VAL 97 CO 0.84 0.37 -0.04 -0.94 0.00 0.00 0.00 175.10 175.33 2x5a s SER 98 N 0.46 0.39 0.09 3.32 1.04 -0.31 -4.99 113.70 113.69 2x5a s SER 98 Ca 0.22 -0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.38 2x5a s SER 98 Cb -0.14 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 65.97 2x5a s SER 98 CO 0.08 -0.13 0.07 -0.76 0.98 0.00 0.00 173.24 173.47 2x5a s LEU 99 N -0.87 3.73 -0.17 2.42 1.43 -1.26 -0.33 118.68 123.63 2x5a s LEU 99 Ca -0.07 -0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 52.87 2x5a s LEU 99 Cb -0.06 -2.42 0.06 0.00 0.03 0.00 0.00 46.19 43.80 2x5a s LEU 99 CO -0.00 0.16 0.42 -0.94 0.23 0.00 0.00 176.35 176.23 2x5a s SER 100 N -2.43 -0.52 -0.28 2.29 1.04 -0.88 -4.98 113.70 107.93 2x5a s SER 100 Ca 0.29 0.91 -0.18 0.00 0.48 0.00 0.00 55.95 57.45 2x5a s SER 100 Cb -0.12 0.81 -0.02 0.00 0.10 0.00 0.00 66.02 66.79 2x5a s SER 100 CO 0.21 -0.19 0.50 0.00 0.98 0.00 0.00 173.24 174.75 2x5a s ALA 101 N 1.24 3.56 0.35 5.32 0.00 -1.26 -0.24 121.76 130.72 2x5a s ALA 101 Ca -0.08 -0.72 0.09 0.00 0.00 0.00 0.00 51.96 51.24 2x5a s ALA 101 Cb -0.07 -2.90 -0.06 0.00 0.00 0.00 0.00 23.12 20.08 2x5a s ALA 101 CO -0.11 -0.85 -0.06 -1.21 0.00 0.00 0.00 175.76 173.53 2x5a s GLU 102 N 2.31 1.89 0.17 0.00 2.02 -0.04 -4.88 118.70 120.18 2x5a s GLU 102 Ca 0.20 -1.93 -0.11 0.00 0.02 0.00 0.00 54.97 53.16 2x5a s GLU 102 Cb -0.16 -1.74 0.05 0.00 0.10 0.00 0.00 34.13 32.38 2x5a s GLU 102 CO 0.10 0.11 1.63 1.79 0.02 0.00 0.00 175.26 178.91 2x5a h THR 103 N 1.94 1.26 -4.21 3.63 1.35 -1.86 0.12 112.91 115.15 2x5a h THR 103 Ca -0.42 -1.08 -0.27 0.00 -0.55 0.00 0.00 66.41 64.09 2x5a h THR 103 Cb 1.25 0.85 -0.15 0.00 -1.73 0.00 0.00 68.15 68.37 2x5a h THR 103 CO 0.71 0.39 -0.63 0.00 -0.25 0.00 0.00 175.52 175.74 2x5a s ALA 104 N -5.07 1.29 -0.86 6.62 0.00 -1.26 -4.72 121.76 117.76 2x5a s ALA 104 Ca -0.12 -1.69 -0.25 0.00 0.00 0.00 0.00 51.96 49.90 2x5a s ALA 104 Cb 0.13 1.07 -0.02 0.00 0.00 0.00 0.00 23.12 24.30 2x5a s ALA 104 CO 0.84 -0.49 1.77 1.21 0.00 0.00 0.00 175.76 179.08 2x5a s ASN 105 N -3.18 5.54 -0.54 0.00 3.84 -1.26 -4.77 114.94 114.57 2x5a s ASN 105 Ca 0.34 -0.63 -0.02 0.00 0.21 0.00 0.00 52.86 52.76 2x5a s ASN 105 Cb 0.07 -2.56 0.35 0.00 -0.55 0.00 0.00 41.25 38.56 2x5a s ASN 105 CO 0.09 -2.34 2.05 0.59 -2.79 0.00 0.00 177.10 174.71 2x5a n ASN 106 N 12.28 7.21 -4.67 -4.21 3.02 -1.26 -4.99 115.26 122.64 2x5a n ASN 106 Ca 0.32 -3.50 -0.42 0.00 -0.03 0.00 0.00 54.58 50.94 2x5a n ASN 106 Cb 0.49 -1.02 -0.03 0.00 -0.61 0.00 0.00 39.78 38.61 2x5a n ASN 106 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2x5a s SER 107 N -0.99 6.80 -0.17 6.41 0.01 -1.26 -4.74 113.70 119.77 2x5a s SER 107 Ca 0.51 2.05 -0.03 0.00 1.31 0.00 0.00 55.95 59.80 2x5a s SER 107 Cb 0.40 -2.54 -0.23 0.00 0.21 0.00 0.00 66.02 63.86 2x5a s SER 107 CO -0.02 -0.81 0.16 -0.46 0.41 0.00 0.00 173.24 172.51 2x5a n ASN 108 N 6.36 2.00 -0.88 2.44 0.23 -0.87 -4.99 115.26 119.56 2x5a n ASN 108 Ca 0.15 0.09 -0.05 0.00 -0.53 0.00 0.00 54.58 54.24 2x5a n ASN 108 Cb 0.44 -0.65 0.01 0.00 -2.08 0.00 0.00 39.78 37.50 2x5a n ASN 108 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2x5a n GLY 109 N 2.07 0.48 3.70 4.83 0.00 -1.25 -5.01 105.19 110.01 2x5a n GLY 109 Ca -0.37 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 2x5a n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x5a s VAL 110 N -2.74 3.49 -1.11 1.61 1.01 -1.26 -4.79 120.40 116.60 2x5a s VAL 110 Ca 0.07 0.97 -0.22 0.00 0.00 0.00 0.00 61.98 62.81 2x5a s VAL 110 Cb -0.03 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.74 2x5a s VAL 110 CO 0.09 0.03 1.69 -0.62 0.00 0.00 0.00 175.10 176.29 2x5a s ASP 111 N 1.64 6.17 0.28 3.32 -1.08 -1.26 -4.72 116.67 121.02 2x5a s ASP 111 Ca 0.65 -1.68 0.09 0.00 -0.52 0.00 0.00 52.55 51.10 2x5a s ASP 111 Cb -0.34 -2.57 0.37 0.00 -1.46 0.00 0.00 42.92 38.92 2x5a s ASP 111 CO 0.29 -1.83 1.63 0.16 0.52 0.00 0.00 175.17 175.93 2x5a h ILE 112 N 6.39 1.41 -0.23 4.11 3.07 -1.83 -1.19 117.51 129.25 2x5a h ILE 112 Ca 0.27 -1.99 -0.18 0.00 1.55 0.00 0.00 64.86 64.50 2x5a h ILE 112 Cb 0.95 2.06 -0.00 0.00 -0.27 0.00 0.00 36.82 39.56 2x5a h ILE 112 CO 1.37 0.57 -0.58 0.78 -1.05 0.00 0.00 178.15 179.25 2x5a h ASN 113 N 0.04 0.82 0.04 2.16 2.35 -1.90 -3.37 115.58 115.72 2x5a h ASN 113 Ca -0.01 -0.45 -0.38 0.00 -0.55 0.00 0.00 56.30 54.92 2x5a h ASN 113 Cb 1.05 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 39.13 2x5a h ASN 113 CO 0.08 1.22 -2.23 0.59 -1.65 0.00 0.00 177.43 175.44 2x5a n ASN 114 N -3.97 2.02 -0.88 5.81 3.02 -1.24 -4.86 115.26 115.15 2x5a n ASN 114 Ca -0.04 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 2x5a n ASN 114 Cb 0.63 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 2x5a n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x5a n GLY 115 N 1.99 5.74 4.03 7.41 0.00 -0.45 -5.15 105.19 118.76 2x5a n GLY 115 Ca -0.41 -2.11 -0.20 0.00 0.00 0.00 0.00 46.02 43.30 2x5a n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x5a s SER 116 N -0.01 4.91 0.00 1.61 0.01 -1.26 -4.34 113.70 114.62 2x5a s SER 116 Ca 0.00 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.40 2x5a s SER 116 Cb 0.00 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.64 2x5a s SER 116 CO 0.00 -1.50 0.00 0.61 0.41 0.00 0.00 173.24 172.76 2x5a n GLY 117 N -2.38 1.09 3.41 3.44 0.00 -1.26 -4.66 105.19 104.82 2x5a n GLY 117 Ca 0.17 -2.20 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 2x5a n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x5a s VAL 118 N -1.28 3.85 -0.16 1.61 1.01 -1.26 -4.61 120.40 119.56 2x5a s VAL 118 Ca 0.00 -0.34 -0.21 0.00 0.00 0.00 0.00 61.98 61.43 2x5a s VAL 118 Cb 0.00 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2x5a s VAL 118 CO 0.00 0.41 0.63 -0.22 0.00 0.00 0.00 175.10 175.92 2x5a s LEU 119 N 1.25 4.19 -0.09 3.92 2.96 -0.47 -4.72 118.68 125.72 2x5a s LEU 119 Ca 0.04 0.90 0.03 0.00 -0.22 0.00 0.00 54.13 54.88 2x5a s LEU 119 Cb -0.15 -2.91 -0.01 0.00 0.50 0.00 0.00 46.19 43.62 2x5a s LEU 119 CO 0.01 -0.22 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.08 2x5a s LYS 120 N 1.57 2.97 -0.22 1.98 1.02 -1.26 -1.16 119.74 124.65 2x5a s LYS 120 Ca 0.30 -0.81 -0.08 0.00 0.02 0.00 0.00 55.97 55.40 2x5a s LYS 120 Cb -0.16 -2.37 0.09 0.00 -0.52 0.00 0.00 37.83 34.87 2x5a s LYS 120 CO 0.12 0.28 0.47 0.54 -0.92 0.00 0.00 175.35 175.84 2x5a s VAL 121 N 0.12 -0.58 0.21 3.17 0.11 -1.13 -2.05 120.40 120.25 2x5a s VAL 121 Ca -0.10 0.12 -0.30 0.00 -2.93 0.00 0.00 61.98 58.77 2x5a s VAL 121 Cb -0.16 -0.73 -0.08 0.00 -1.53 0.00 0.00 36.38 33.88 2x5a s VAL 121 CO 0.06 0.05 1.03 0.00 -3.33 0.00 0.00 175.10 172.91 2x5a n PHE 123 N 1.85 0.00 -4.16 0.00 1.16 -0.87 -4.82 117.46 110.62 2x5a n PHE 123 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.43 2x5a n PHE 123 Cb 0.46 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.20 2x5a n PHE 123 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2x5a s ASP 124 N -2.25 0.72 -0.30 5.98 2.15 -1.24 -0.19 116.67 121.54 2x5a s ASP 124 Ca 0.00 -0.21 0.01 0.00 0.43 0.00 0.00 52.55 52.78 2x5a s ASP 124 Cb 0.00 -0.05 0.07 0.00 -0.30 0.00 0.00 42.92 42.64 2x5a s ASP 124 CO 0.00 0.01 -0.02 -0.63 -0.17 0.00 0.00 175.17 174.36 2x5a s ILE 125 N -0.43 2.54 -0.35 4.11 1.01 -0.07 -1.06 121.20 126.95 2x5a s ILE 125 Ca -0.01 -1.73 -0.11 0.00 0.00 0.00 0.00 60.65 58.80 2x5a s ILE 125 Cb -0.04 -2.58 0.01 0.00 0.01 0.00 0.00 42.46 39.86 2x5a s ILE 125 CO -0.00 -0.22 0.19 -0.69 0.00 0.00 0.00 174.94 174.22 2x5a s VAL 126 N 1.11 4.67 -0.21 2.92 1.01 0.59 -1.03 120.40 129.47 2x5a s VAL 126 Ca -0.03 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 2x5a s VAL 126 Cb -0.20 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2x5a s VAL 126 CO -0.04 -0.09 0.47 -0.89 0.00 0.00 0.00 175.10 174.55 2x5a s THR 127 N 1.60 5.14 0.37 3.92 2.01 0.34 -0.15 115.64 128.87 2x5a s THR 127 Ca 0.04 0.84 0.08 0.00 0.31 0.00 0.00 61.69 62.96 2x5a s THR 127 Cb -0.18 -3.79 -0.06 0.00 0.01 0.00 0.00 72.50 68.47 2x5a s THR 127 CO 0.07 0.20 0.00 0.42 -0.69 0.00 0.00 174.62 174.62 2x5a s THR 128 N 1.57 2.30 0.00 -0.82 -4.23 -0.78 -0.96 115.64 112.72 2x5a s THR 128 Ca 0.22 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 2x5a s THR 128 Cb -0.15 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.85 2x5a s THR 128 CO 0.09 -0.12 0.00 -1.54 -0.54 0.00 0.00 174.62 172.51 2x5a n SER 129 N -0.95 1.53 0.08 3.99 3.41 0.68 -3.61 113.62 118.75 2x5a n SER 129 Ca -0.04 -0.15 -0.09 0.00 -0.26 0.00 0.00 58.87 58.33 2x5a n SER 129 Cb 0.64 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.58 2x5a n SER 129 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2x5a h GLY 130 N 0.00 0.23 0.00 5.00 0.00 -1.96 0.35 103.07 106.69 2x5a h GLY 130 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 2x5a h GLY 130 CO 0.00 0.37 -0.80 -1.30 0.00 0.00 0.00 176.54 174.81 2x5a n THR 131 N -3.67 1.46 -1.54 4.70 -2.24 -1.26 -4.87 114.28 106.86 2x5a n THR 131 Ca -0.04 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2x5a n THR 131 Cb 0.81 -2.35 0.00 0.00 -2.10 0.00 0.00 70.33 66.69 2x5a n THR 131 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x5a n GLY 132 N 1.54 5.49 3.79 3.38 0.00 -1.26 -3.39 105.19 114.73 2x5a n GLY 132 Ca -0.12 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 2x5a n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x5a s VAL 133 N 1.20 5.16 -0.24 1.61 1.01 -1.25 -0.23 120.40 127.66 2x5a s VAL 133 Ca 0.00 0.75 -0.16 0.00 0.00 0.00 0.00 61.98 62.57 2x5a s VAL 133 Cb 0.00 -3.69 -0.12 0.00 0.00 0.00 0.00 36.38 32.56 2x5a s VAL 133 CO 0.00 0.48 -0.22 0.35 0.00 0.00 0.00 175.10 175.71 2x5a n THR 134 N 2.66 1.52 -3.79 3.92 -2.24 -0.13 -4.86 114.28 111.36 2x5a n THR 134 Ca -0.12 -0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.34 2x5a n THR 134 Cb 0.52 -2.01 -0.08 0.00 -2.10 0.00 0.00 70.33 66.65 2x5a n THR 134 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2x5a s SER 135 N -7.03 -0.10 -0.08 3.42 1.04 -1.02 -5.04 113.70 104.89 2x5a s SER 135 Ca -0.34 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.00 2x5a s SER 135 Cb 0.11 0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.55 2x5a s SER 135 CO 0.49 -0.49 -0.08 -0.89 0.98 0.00 0.00 173.24 173.25 2x5a s THR 136 N -1.81 0.91 -0.17 2.02 2.01 -1.26 -0.50 115.64 116.84 2x5a s THR 136 Ca -0.10 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.60 2x5a s THR 136 Cb -0.04 -0.90 0.04 0.00 0.01 0.00 0.00 72.50 71.61 2x5a s THR 136 CO 0.01 0.32 -0.09 -0.75 -0.69 0.00 0.00 174.62 173.42 2x5a s LYS 137 N 1.17 1.84 0.48 4.92 2.20 -0.20 -5.00 119.74 125.15 2x5a s LYS 137 Ca -0.06 -0.63 -0.18 0.00 -0.36 0.00 0.00 55.97 54.75 2x5a s LYS 137 Cb -0.14 -2.15 -0.09 0.00 -1.51 0.00 0.00 37.83 33.94 2x5a s LYS 137 CO -0.02 -0.38 0.95 -1.25 -0.36 0.00 0.00 175.35 174.30 2x5a s PRO 138 N 1.52 4.03 0.36 4.03 0.05 -1.26 -0.89 135.00 142.84 2x5a s PRO 138 Ca 0.01 0.97 -0.27 0.00 0.05 0.00 0.00 61.00 61.76 2x5a s PRO 138 Cb -0.15 -2.17 -0.09 0.00 0.05 0.00 0.00 34.50 32.13 2x5a s PRO 138 CO -0.08 -0.17 1.23 0.42 0.05 0.00 0.00 177.00 178.45 2x5a s ILE 139 N -2.45 2.93 0.46 0.56 -1.09 0.73 -4.89 121.20 117.45 2x5a s ILE 139 Ca 0.59 0.86 -0.24 0.00 -2.23 0.00 0.00 60.65 59.63 2x5a s ILE 139 Cb -0.10 -3.52 -0.08 0.00 -1.58 0.00 0.00 42.46 37.19 2x5a s ILE 139 CO 0.25 0.15 1.33 0.54 -1.23 0.00 0.00 174.94 175.98 2x5a s VAL 140 N -1.26 2.43 -0.66 2.92 0.11 -1.26 -4.95 120.40 117.73 2x5a s VAL 140 Ca 0.53 0.36 -0.11 0.00 -2.93 0.00 0.00 61.98 59.83 2x5a s VAL 140 Cb -0.35 -3.20 0.17 0.00 -1.53 0.00 0.00 36.38 31.46 2x5a s VAL 140 CO 0.46 0.03 0.56 -1.10 -3.33 0.00 0.00 175.10 171.72 2x5a s GLN 141 N -2.50 3.04 -0.02 1.54 -0.21 -1.26 -4.65 119.66 115.59 2x5a s GLN 141 Ca 0.62 -2.18 -0.30 0.00 0.02 0.00 0.00 55.36 53.52 2x5a s GLN 141 Cb -0.39 -4.16 -0.05 0.00 1.00 0.00 0.00 33.01 29.41 2x5a s GLN 141 CO 0.49 -1.25 1.49 0.99 -2.12 0.00 0.00 175.29 174.88 2x5a s THR 142 N 0.65 3.65 -0.63 -0.19 2.01 -1.26 -5.00 115.64 114.87 2x5a s THR 142 Ca 0.12 0.96 -0.01 0.00 0.31 0.00 0.00 61.69 63.07 2x5a s THR 142 Cb -0.19 -3.62 0.16 0.00 0.01 0.00 0.00 72.50 68.86 2x5a s THR 142 CO -0.04 -0.03 0.44 -0.44 -0.69 0.00 0.00 174.62 173.85 2x5a s SER 143 N 2.36 5.08 -0.28 3.53 0.01 -1.26 -4.53 113.70 118.60 2x5a s SER 143 Ca 0.67 -3.03 -0.29 0.00 1.31 0.00 0.00 55.95 54.61 2x5a s SER 143 Cb -0.32 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.11 2x5a s SER 143 CO 0.27 -0.31 1.28 -0.89 0.41 0.00 0.00 173.24 174.00 2x5a s THR 144 N -0.32 4.19 0.14 1.44 2.01 0.57 -5.02 115.64 118.66 2x5a s THR 144 Ca 0.18 1.37 0.05 0.00 0.31 0.00 0.00 61.69 63.60 2x5a s THR 144 Cb -0.20 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 2x5a s THR 144 CO -0.04 -0.43 -0.12 -0.76 -0.69 0.00 0.00 174.62 172.59 2x5a s LEU 145 N 4.19 2.48 -0.06 4.42 1.43 -1.26 -4.55 118.68 125.33 2x5a s LEU 145 Ca 0.55 -0.92 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 2x5a s LEU 145 Cb -0.17 -0.44 -0.01 0.00 0.03 0.00 0.00 46.19 45.60 2x5a s LEU 145 CO 0.21 -0.25 -0.07 -0.67 0.23 0.00 0.00 176.35 175.80 2x5a n ASP 146 N 0.11 0.70 -4.02 2.29 -0.08 -1.26 -5.02 116.55 109.28 2x5a n ASP 146 Ca -0.12 0.38 -0.19 0.00 -1.51 0.00 0.00 54.79 53.35 2x5a n ASP 146 Cb 0.59 -0.64 -0.15 0.00 2.34 0.00 0.00 41.12 43.26 2x5a n ASP 146 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2x5a s SER 147 N -4.39 1.08 -0.11 1.67 0.15 -1.26 -5.16 113.70 105.68 2x5a s SER 147 Ca -0.06 -0.17 0.02 0.00 0.70 0.00 0.00 55.95 56.44 2x5a s SER 147 Cb 0.01 -0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.17 2x5a s SER 147 CO 0.09 0.11 -0.18 -0.63 1.20 0.00 0.00 173.24 173.83 2x5a s ILE 148 N -0.18 2.65 -0.74 6.45 1.01 -1.26 -5.07 121.20 124.05 2x5a s ILE 148 Ca 0.03 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.90 2x5a s ILE 148 Cb -0.04 -2.07 0.18 0.00 0.01 0.00 0.00 42.46 40.54 2x5a s ILE 148 CO -0.00 0.54 0.55 -0.44 0.00 0.00 0.00 174.94 175.59 2x5a s SER 149 N 0.30 5.07 0.20 3.58 0.01 -1.26 -5.10 113.70 116.51 2x5a s SER 149 Ca -0.13 -3.84 0.07 0.00 1.31 0.00 0.00 55.95 53.35 2x5a s SER 149 Cb -0.17 -1.69 -0.04 0.00 0.21 0.00 0.00 66.02 64.34 2x5a s SER 149 CO 0.07 -0.10 0.11 0.54 0.41 0.00 0.00 173.24 174.27 2x5a s VAL 150 N -1.46 4.21 -0.18 3.43 0.11 -1.26 -5.08 120.40 120.17 2x5a s VAL 150 Ca 0.25 -1.33 -0.15 0.00 -2.93 0.00 0.00 61.98 57.82 2x5a s VAL 150 Cb -0.05 -3.19 -0.08 0.00 -1.53 0.00 0.00 36.38 31.53 2x5a s VAL 150 CO -0.16 -0.21 -0.19 0.59 -3.33 0.00 0.00 175.10 171.80 2x5a n ASN 151 N -0.61 1.88 -4.28 3.54 3.02 -1.26 -5.05 115.26 112.50 2x5a n ASN 151 Ca -0.08 0.47 -0.17 0.00 -0.03 0.00 0.00 54.58 54.76 2x5a n ASN 151 Cb 0.56 -0.84 -0.10 0.00 -0.61 0.00 0.00 39.78 38.79 2x5a n ASN 151 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2x5a s ASP 152 N -6.23 2.15 -0.09 6.41 1.01 -1.26 -5.17 116.67 113.49 2x5a s ASP 152 Ca -0.25 -0.94 -0.12 0.00 0.71 0.00 0.00 52.55 51.94 2x5a s ASP 152 Cb 0.05 -0.08 0.03 0.00 1.01 0.00 0.00 42.92 43.93 2x5a s ASP 152 CO 0.38 -0.21 0.32 -0.32 0.21 0.00 0.00 175.17 175.56 2x5a s MET 153 N -3.33 0.46 -0.13 8.23 -2.45 -1.26 -5.15 119.30 115.66 2x5a s MET 153 Ca 0.16 0.28 -0.01 0.00 -1.25 0.00 0.00 55.69 54.87 2x5a s MET 153 Cb -0.01 0.22 0.03 0.00 1.25 0.00 0.00 34.83 36.31 2x5a s MET 153 CO 0.04 -0.08 -0.06 0.99 1.05 0.00 0.00 175.02 176.96 2x5a s THR 154 N -0.24 0.97 -0.14 10.11 2.01 -1.26 -5.14 115.64 121.95 2x5a s THR 154 Ca -0.04 -0.37 -0.04 0.00 0.31 0.00 0.00 61.69 61.56 2x5a s THR 154 Cb -0.03 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 2x5a s THR 154 CO 0.01 0.26 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.49 2x5a s VAL 155 N 1.72 4.07 -0.28 3.82 1.01 -1.26 -5.01 120.40 124.46 2x5a s VAL 155 Ca 0.03 -0.30 0.22 0.00 0.00 0.00 0.00 61.98 61.93 2x5a s VAL 155 Cb -0.14 -2.77 -0.24 0.00 0.00 0.00 0.00 36.38 33.23 2x5a s VAL 155 CO -0.08 0.52 0.70 -1.54 0.00 0.00 0.00 175.10 174.70 2x5a n SER 156 N 3.20 0.35 0.00 3.32 3.41 -1.26 -4.93 113.62 117.71 2x5a n SER 156 Ca -0.17 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 2x5a n SER 156 Cb 0.53 1.45 0.00 0.00 -0.26 0.00 0.00 64.21 65.93 2x5a n SER 156 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x5a n GLY 157 N 1.30 0.92 3.30 5.00 0.00 -1.26 -5.17 105.19 109.28 2x5a n GLY 157 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2x5a n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x5a s SER 158 N 0.50 -0.23 -0.18 1.61 0.01 -1.26 -5.16 113.70 108.98 2x5a s SER 158 Ca 0.00 -0.07 -0.04 0.00 1.31 0.00 0.00 55.95 57.15 2x5a s SER 158 Cb 0.00 0.41 -0.02 0.00 0.21 0.00 0.00 66.02 66.62 2x5a s SER 158 CO 0.00 -0.66 -0.04 -0.63 0.41 0.00 0.00 173.24 172.33 2x5a s ILE 159 N -2.56 3.69 -0.35 1.44 1.01 -1.26 -5.09 121.20 118.09 2x5a s ILE 159 Ca -0.05 -0.41 -0.21 0.00 0.00 0.00 0.00 60.65 59.98 2x5a s ILE 159 Cb -0.01 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.82 2x5a s ILE 159 CO -0.03 0.46 0.66 -0.62 0.00 0.00 0.00 174.94 175.41 2x5a s ASP 160 N 0.85 6.46 0.08 3.58 -1.08 -1.26 -5.06 116.67 120.24 2x5a s ASP 160 Ca -0.01 0.24 0.05 0.00 -0.52 0.00 0.00 52.55 52.31 2x5a s ASP 160 Cb -0.15 -2.34 -0.04 0.00 -1.46 0.00 0.00 42.92 38.94 2x5a s ASP 160 CO 0.02 -0.59 -0.03 0.68 0.52 0.00 0.00 175.17 175.77 2x5a s VAL 161 N 2.75 3.86 -0.06 1.11 -7.23 -1.26 -5.08 120.40 114.50 2x5a s VAL 161 Ca 0.26 -1.01 -0.30 0.00 -1.81 0.00 0.00 61.98 59.12 2x5a s VAL 161 Cb -0.14 -2.82 -0.06 0.00 0.56 0.00 0.00 36.38 33.91 2x5a s VAL 161 CO 0.14 0.15 1.85 -2.84 -0.31 0.00 0.00 175.10 174.09 2x5a s PRO 162 N -2.19 3.99 -0.20 4.82 0.02 -1.26 -4.67 135.00 135.51 2x5a s PRO 162 Ca 0.24 2.28 -0.08 0.00 0.02 0.00 0.00 61.00 63.46 2x5a s PRO 162 Cb -0.12 -4.11 -0.04 0.00 0.02 0.00 0.00 34.50 30.25 2x5a s PRO 162 CO 0.16 -1.10 0.08 0.08 -0.33 0.00 0.00 177.00 175.89 2x5a s VAL 163 N 4.87 4.84 -0.07 3.83 1.01 -1.26 -1.23 120.40 132.39 2x5a s VAL 163 Ca 0.83 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.83 2x5a s VAL 163 Cb -0.36 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2x5a s VAL 163 CO 0.35 0.42 -0.19 -1.10 0.00 0.00 0.00 175.10 174.59 2x5a s GLN 164 N 0.65 2.29 0.03 2.72 1.11 0.64 -5.00 119.66 122.10 2x5a s GLN 164 Ca 0.04 -0.68 0.08 0.00 0.01 0.00 0.00 55.36 54.82 2x5a s GLN 164 Cb -0.13 -1.84 -0.03 0.00 -1.01 0.00 0.00 33.01 30.00 2x5a s GLN 164 CO 0.01 0.17 -0.24 0.95 0.01 0.00 0.00 175.29 176.20 2x5a s THR 165 N 0.30 2.29 -0.10 -0.19 -4.23 -1.26 -0.37 115.64 112.08 2x5a s THR 165 Ca -0.12 -1.28 -0.08 0.00 -1.18 0.00 0.00 61.69 59.02 2x5a s THR 165 Cb -0.15 -1.89 0.03 0.00 1.34 0.00 0.00 72.50 71.83 2x5a s THR 165 CO 0.05 0.40 0.27 -0.22 -0.54 0.00 0.00 174.62 174.59 2x5a s LEU 166 N -1.16 0.81 -0.31 4.79 2.96 -0.84 -5.03 118.68 119.91 2x5a s LEU 166 Ca 0.12 0.55 0.01 0.00 -0.22 0.00 0.00 54.13 54.60 2x5a s LEU 166 Cb -0.10 0.90 0.07 0.00 0.50 0.00 0.00 46.19 47.56 2x5a s LEU 166 CO 0.02 -0.11 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.04 2x5a s THR 167 N 0.43 2.52 -0.23 3.68 2.01 -1.26 -0.77 115.64 122.01 2x5a s THR 167 Ca -0.02 -1.82 -0.09 0.00 0.31 0.00 0.00 61.69 60.06 2x5a s THR 167 Cb -0.04 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.82 2x5a s THR 167 CO -0.02 -0.28 0.13 -0.69 -0.69 0.00 0.00 174.62 173.07 2x5a s VAL 168 N 1.09 5.09 -1.16 3.82 1.01 -0.53 -4.95 120.40 124.76 2x5a s VAL 168 Ca -0.01 0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.91 2x5a s VAL 168 Cb -0.20 -3.36 0.17 0.00 0.00 0.00 0.00 36.38 32.98 2x5a s VAL 168 CO -0.05 0.36 1.38 -1.61 0.00 0.00 0.00 175.10 175.18 2x5a s GLU 169 N 1.06 4.01 0.38 2.72 0.41 -1.26 -1.10 118.70 124.92 2x5a s GLU 169 Ca 0.06 -2.45 0.17 0.00 -0.41 0.00 0.00 54.97 52.34 2x5a s GLU 169 Cb -0.14 -5.03 1.08 0.00 -1.78 0.00 0.00 34.13 28.26 2x5a s GLU 169 CO 0.04 -1.76 1.74 0.00 -0.49 0.00 0.00 175.26 174.79 2x5a h ALA 170 N 7.43 2.15 0.00 5.21 0.00 -1.57 -0.46 119.26 132.02 2x5a h ALA 170 Ca 0.29 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2x5a h ALA 170 Cb 0.90 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2x5a h ALA 170 CO 1.22 -0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.26 2x5a n GLY 171 N -1.42 1.94 3.96 0.00 0.00 -1.22 -1.58 105.19 106.88 2x5a n GLY 171 Ca 0.27 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2x5a n GLY 171 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2x5a n ASN 172 N 0.00 -0.08 0.00 1.61 4.13 -1.26 -1.60 115.26 118.06 2x5a n ASN 172 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2x5a n ASN 172 Cb 0.00 -2.45 0.00 0.00 -1.54 0.00 0.00 39.78 35.79 2x5a n ASN 172 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2x5a n GLY 173 N -1.96 1.77 3.62 7.41 0.00 -1.26 -0.13 105.19 114.63 2x5a n GLY 173 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2x5a n GLY 173 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2x5a s LEU 174 N 0.00 3.36 -0.06 0.99 2.96 -0.62 -0.91 118.68 124.40 2x5a s LEU 174 Ca 0.00 0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 2x5a s LEU 174 Cb 0.00 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 44.94 2x5a s LEU 174 CO 0.00 0.35 -0.16 -1.58 -1.32 0.00 0.00 176.35 173.64 2x5a s GLN 175 N -0.72 1.87 -0.17 1.98 0.74 0.34 -2.02 119.66 121.68 2x5a s GLN 175 Ca 0.11 -0.56 0.01 0.00 0.05 0.00 0.00 55.36 54.97 2x5a s GLN 175 Cb -0.11 -1.56 0.02 0.00 1.10 0.00 0.00 33.01 32.46 2x5a s GLN 175 CO 0.02 0.15 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.23 2x5a s LEU 176 N 0.31 2.05 -0.54 3.68 1.43 -0.26 -1.07 118.68 124.29 2x5a s LEU 176 Ca -0.10 -0.64 -0.14 0.00 -1.03 0.00 0.00 54.13 52.23 2x5a s LEU 176 Cb -0.14 -1.38 0.13 0.00 0.03 0.00 0.00 46.19 44.84 2x5a s LEU 176 CO 0.04 -0.03 0.47 -1.58 0.23 0.00 0.00 176.35 175.47 2x5a s GLN 177 N 1.35 2.86 -0.01 1.70 -0.44 -0.38 -1.45 119.66 123.29 2x5a s GLN 177 Ca 0.04 -1.79 -0.16 0.00 -2.50 0.00 0.00 55.36 50.95 2x5a s GLN 177 Cb -0.13 -4.18 -0.06 0.00 -1.64 0.00 0.00 33.01 27.00 2x5a s GLN 177 CO -0.12 -1.28 0.46 -0.51 0.50 0.00 0.00 175.29 174.33 2x5a s LEU 178 N 1.41 4.45 -0.38 3.68 1.02 0.05 -1.09 118.68 127.82 2x5a s LEU 178 Ca 0.05 1.00 0.01 0.00 0.02 0.00 0.00 54.13 55.21 2x5a s LEU 178 Cb -0.27 -2.67 0.12 0.00 0.02 0.00 0.00 46.19 43.39 2x5a s LEU 178 CO 0.01 0.25 0.18 -0.89 0.02 0.00 0.00 176.35 175.92 2x5a s THR 179 N -0.74 1.07 -0.12 5.49 2.01 -1.05 -1.99 115.64 120.31 2x5a s THR 179 Ca 0.25 -2.04 -0.24 0.00 0.31 0.00 0.00 61.69 59.97 2x5a s THR 179 Cb -0.17 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 2x5a s THR 179 CO 0.14 -0.83 0.75 -0.75 -0.69 0.00 0.00 174.62 173.24 2x5a s LYS 180 N 0.90 4.36 -0.07 4.92 2.20 0.50 -2.83 119.74 129.71 2x5a s LYS 180 Ca 0.15 0.91 0.03 0.00 -0.36 0.00 0.00 55.97 56.70 2x5a s LYS 180 Cb -0.22 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 2x5a s LYS 180 CO -0.09 -0.12 -0.17 0.15 -0.36 0.00 0.00 175.35 174.76 2x5a s LYS 181 N 1.43 2.11 -1.99 4.03 1.02 -0.26 -0.26 119.74 125.82 2x5a s LYS 181 Ca 0.37 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.76 2x5a s LYS 181 Cb -0.17 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 2x5a s LYS 181 CO 0.15 0.13 0.00 -1.71 -0.92 0.00 0.00 175.35 173.01 2x5a n ASN 182 N 3.54 -5.35 -2.10 2.83 5.15 -0.36 -2.43 115.26 116.54 2x5a n ASN 182 Ca -0.20 0.46 -0.20 0.00 -0.60 0.00 0.00 54.58 54.04 2x5a n ASN 182 Cb 0.52 -4.50 -0.02 0.00 -0.53 0.00 0.00 39.78 35.25 2x5a n ASN 182 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2x5a n ASN 183 N -1.12 -5.59 0.00 1.20 3.02 -1.26 -4.85 115.26 106.66 2x5a n ASN 183 Ca -0.19 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2x5a n ASN 183 Cb 0.63 -4.66 0.00 0.00 -0.61 0.00 0.00 39.78 35.14 2x5a n ASN 183 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2x5a n ASP 184 N -1.65 0.00 -4.70 6.41 2.03 -1.02 -4.67 116.55 112.96 2x5a n ASP 184 Ca -0.23 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.66 2x5a n ASP 184 Cb 0.67 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.04 2x5a n ASP 184 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2x5a s LEU 185 N -4.22 4.31 -0.09 -2.67 2.96 -1.13 -1.47 118.68 116.37 2x5a s LEU 185 Ca 0.00 1.81 0.01 0.00 -0.22 0.00 0.00 54.13 55.72 2x5a s LEU 185 Cb 0.00 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.14 2x5a s LEU 185 CO 0.00 -0.48 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.77 2x5a s VAL 186 N 1.67 0.99 -0.29 1.68 1.01 -0.64 -1.11 120.40 123.71 2x5a s VAL 186 Ca 0.55 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 2x5a s VAL 186 Cb -0.25 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 2x5a s VAL 186 CO 0.24 0.34 0.10 -0.63 0.00 0.00 0.00 175.10 175.16 2x5a s ILE 187 N 1.23 4.22 -0.19 2.22 1.01 -1.13 -1.81 121.20 126.76 2x5a s ILE 187 Ca -0.04 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 59.99 2x5a s ILE 187 Cb -0.14 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 2x5a s ILE 187 CO -0.03 0.13 0.19 -0.69 0.00 0.00 0.00 174.94 174.54 2x5a s VAL 188 N 1.56 5.37 -0.17 2.92 1.01 0.14 -2.53 120.40 128.69 2x5a s VAL 188 Ca 0.04 0.32 -0.05 0.00 0.00 0.00 0.00 61.98 62.28 2x5a s VAL 188 Cb -0.17 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2x5a s VAL 188 CO 0.04 0.41 0.01 -0.13 0.00 0.00 0.00 175.10 175.43 2x5a s ARG 189 N 0.47 3.79 -0.03 2.72 0.52 -0.25 -1.29 118.95 124.89 2x5a s ARG 189 Ca 0.11 -0.45 -0.24 0.00 -0.52 0.00 0.00 55.73 54.64 2x5a s ARG 189 Cb -0.12 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 2x5a s ARG 189 CO 0.01 0.23 0.71 -0.06 0.02 0.00 0.00 175.30 176.21 2x5a s PHE 190 N 0.43 3.63 0.05 -0.53 0.08 -0.03 -1.25 117.98 120.37 2x5a s PHE 190 Ca -0.01 1.31 -0.03 0.00 0.12 0.00 0.00 56.93 58.33 2x5a s PHE 190 Cb -0.13 -2.80 -0.03 0.00 -0.57 0.00 0.00 43.02 39.49 2x5a s PHE 190 CO 0.02 0.16 0.03 -0.06 -0.10 0.00 0.00 175.22 175.27 2x5a s PHE 191 N 0.49 0.37 0.00 0.36 0.08 -0.24 -3.98 117.98 115.07 2x5a s PHE 191 Ca 0.38 -0.84 0.00 0.00 0.12 0.00 0.00 56.93 56.59 2x5a s PHE 191 Cb -0.19 -0.27 0.00 0.00 -0.57 0.00 0.00 43.02 42.00 2x5a s PHE 191 CO 0.20 -0.40 0.00 0.41 -0.10 0.00 0.00 175.22 175.33 2x5a n GLY 192 N 0.30 -1.80 2.66 4.36 0.00 -1.25 -0.51 105.19 108.95 2x5a n GLY 192 Ca -0.16 -1.85 -0.27 0.00 0.00 0.00 0.00 46.02 43.74 2x5a n GLY 192 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x5a s SER 193 N -4.00 2.93 0.16 1.61 0.01 -0.09 -0.72 113.70 113.60 2x5a s SER 193 Ca 0.00 -0.91 -0.30 0.00 1.31 0.00 0.00 55.95 56.05 2x5a s SER 193 Cb 0.00 -0.45 -0.07 0.00 0.21 0.00 0.00 66.02 65.70 2x5a s SER 193 CO 0.00 -0.36 1.16 -0.69 0.41 0.00 0.00 173.24 173.76 2x5a s VAL 194 N 1.98 3.78 -0.04 3.43 1.01 -1.00 -4.32 120.40 125.23 2x5a s VAL 194 Ca 0.03 1.47 -0.08 0.00 0.00 0.00 0.00 61.98 63.40 2x5a s VAL 194 Cb -0.17 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.29 2x5a s VAL 194 CO -0.15 0.22 0.18 -0.94 0.00 0.00 0.00 175.10 174.41 2x5a s SER 195 N 0.22 -0.12 -0.60 3.32 1.04 0.81 -2.57 113.70 115.80 2x5a s SER 195 Ca 0.53 0.15 -0.08 0.00 0.48 0.00 0.00 55.95 57.03 2x5a s SER 195 Cb -0.31 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.15 2x5a s SER 195 CO 0.34 -0.21 0.65 0.59 0.98 0.00 0.00 173.24 175.60 2x5a n ASN 196 N 2.30 -7.63 -3.74 7.02 4.13 -0.91 -4.68 115.26 111.74 2x5a n ASN 196 Ca -0.17 0.13 -0.14 0.00 1.68 0.00 0.00 54.58 56.09 2x5a n ASN 196 Cb 0.57 -5.02 -0.09 0.00 -1.54 0.00 0.00 39.78 33.70 2x5a n ASN 196 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2x5a s ILE 197 N -2.77 0.04 0.25 2.41 1.10 -0.63 -4.96 121.20 116.63 2x5a s ILE 197 Ca 0.12 -0.29 0.10 0.00 -0.51 0.00 0.00 60.65 60.06 2x5a s ILE 197 Cb -0.03 -0.62 -0.04 0.00 0.15 0.00 0.00 42.46 41.91 2x5a s ILE 197 CO 0.77 -0.16 -0.04 -1.10 -2.11 0.00 0.00 174.94 172.30 2x5a s GLN 198 N -0.86 2.19 0.16 3.50 -0.21 -1.26 -0.23 119.66 122.95 2x5a s GLN 198 Ca -0.09 -1.43 -0.31 0.00 0.02 0.00 0.00 55.36 53.55 2x5a s GLN 198 Cb -0.04 -2.12 -0.09 0.00 1.00 0.00 0.00 33.01 31.77 2x5a s GLN 198 CO 0.04 0.37 1.38 -1.59 -2.12 0.00 0.00 175.29 173.36 2x5a s LYS 199 N -3.52 4.33 0.00 2.91 -2.85 -1.26 -2.91 119.74 116.44 2x5a s LYS 199 Ca 0.30 2.11 0.00 0.00 -1.00 0.00 0.00 55.97 57.38 2x5a s LYS 199 Cb -0.07 -3.21 0.00 0.00 -2.06 0.00 0.00 37.83 32.50 2x5a s LYS 199 CO 0.19 -0.38 0.00 0.41 0.10 0.00 0.00 175.35 175.67 2x5a n GLY 200 N 2.96 1.37 3.83 0.59 0.00 -0.19 -5.01 105.19 108.74 2x5a n GLY 200 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2x5a n GLY 200 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2x5a s TRP 201 N -3.53 3.58 0.79 1.61 0.52 -1.15 -4.82 118.94 115.94 2x5a s TRP 201 Ca 0.00 1.21 -0.11 0.00 0.02 0.00 0.00 56.10 57.21 2x5a s TRP 201 Cb 0.00 -2.49 0.06 0.00 -1.15 0.00 0.00 33.47 29.90 2x5a s TRP 201 CO 0.00 0.34 1.09 1.21 0.02 0.00 0.00 176.95 179.60 2x5a s ASN 202 N -1.81 4.52 -0.03 2.95 2.47 -1.26 -1.64 114.94 120.14 2x5a s ASN 202 Ca 0.43 1.50 -0.23 0.00 0.42 0.00 0.00 52.86 54.98 2x5a s ASN 202 Cb -0.15 -2.26 -0.04 0.00 -1.45 0.00 0.00 41.25 37.35 2x5a s ASN 202 CO 0.20 -1.98 0.70 -0.04 -3.72 0.00 0.00 177.10 172.26 2x5a s MET 203 N -5.04 4.44 0.20 0.43 -1.94 -0.47 -4.82 119.30 112.10 2x5a s MET 203 Ca 0.61 0.91 -0.10 0.00 -1.71 0.00 0.00 55.69 55.40 2x5a s MET 203 Cb -0.15 -3.41 0.14 0.00 2.01 0.00 0.00 34.83 33.42 2x5a s MET 203 CO 0.55 0.16 1.81 0.66 -0.01 0.00 0.00 175.02 178.19 2x5a h SER 204 N 6.33 0.95 0.00 3.03 4.64 -1.87 -3.46 113.55 123.17 2x5a h SER 204 Ca -0.42 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2x5a h SER 204 Cb 1.20 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2x5a h SER 204 CO 0.73 0.79 0.00 0.61 -0.87 0.00 0.00 176.83 178.10 2x5a n GLY 205 N -1.05 0.34 3.75 -0.77 0.00 -0.61 -4.94 105.19 101.92 2x5a n GLY 205 Ca 0.07 -1.41 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 2x5a n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x5a s THR 206 N 0.00 2.33 0.29 2.61 2.01 -0.18 -4.81 115.64 117.89 2x5a s THR 206 Ca 0.00 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.25 2x5a s THR 206 Cb 0.00 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 2x5a s THR 206 CO 0.00 -0.01 0.48 0.26 -0.69 0.00 0.00 174.62 174.66 2x5a s TRP 207 N -1.38 3.49 0.09 4.92 0.52 -1.26 -4.20 118.94 121.12 2x5a s TRP 207 Ca 0.71 0.29 -0.31 0.00 0.02 0.00 0.00 56.10 56.81 2x5a s TRP 207 Cb -0.37 -1.83 -0.07 0.00 -1.15 0.00 0.00 33.47 30.05 2x5a s TRP 207 CO 0.43 0.24 1.31 0.08 0.02 0.00 0.00 176.95 179.04 2x5a s VAL 208 N -2.14 3.59 0.63 4.03 1.01 -0.32 -4.99 120.40 122.20 2x5a s VAL 208 Ca 0.39 1.15 -0.18 0.00 0.00 0.00 0.00 61.98 63.33 2x5a s VAL 208 Cb -0.10 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2x5a s VAL 208 CO 0.33 0.09 1.22 -1.81 0.00 0.00 0.00 175.10 174.93 2x5a s ASP 209 N 1.07 4.92 0.26 3.32 1.11 -1.26 -4.53 116.67 121.56 2x5a s ASP 209 Ca 0.62 2.41 -0.03 0.00 0.18 0.00 0.00 52.55 55.73 2x5a s ASP 209 Cb -0.34 -2.60 0.52 0.00 1.07 0.00 0.00 42.92 41.57 2x5a s ASP 209 CO 0.30 -1.78 1.70 -0.09 1.18 0.00 0.00 175.17 176.48 2x5a h ARG 210 N 0.60 0.32 0.00 8.23 2.43 -1.96 -2.09 114.38 121.91 2x5a h ARG 210 Ca -0.50 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 2x5a h ARG 210 Cb 1.30 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2x5a h ARG 210 CO 0.54 0.21 0.00 -1.35 -1.51 0.00 0.00 179.97 177.86 2x5a h PRO 211 N 0.33 0.00 -0.02 0.20 0.11 -2.03 -2.85 132.00 127.74 2x5a h PRO 211 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 2x5a h PRO 211 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2x5a h PRO 211 CO -0.50 0.00 -0.28 1.19 -0.21 0.00 0.00 178.00 178.20 2x5a n PHE 212 N -3.08 0.00 -2.33 0.65 3.72 -0.82 -4.97 117.46 110.64 2x5a n PHE 212 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 2x5a n PHE 212 Cb 0.25 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.76 2x5a n PHE 212 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2x5a s ARG 213 N -2.28 4.32 0.78 -1.08 0.52 -1.02 -4.96 118.95 115.22 2x5a s ARG 213 Ca 0.23 1.84 -0.12 0.00 -0.52 0.00 0.00 55.73 57.16 2x5a s ARG 213 Cb 0.19 -3.54 0.06 0.00 0.52 0.00 0.00 34.95 32.18 2x5a s ARG 213 CO 0.46 -0.50 1.14 -1.25 0.02 0.00 0.00 175.30 175.18 2x5a s PRO 214 N 2.19 2.26 0.18 3.54 0.04 -1.26 -4.95 135.00 137.00 2x5a s PRO 214 Ca 0.60 0.28 -0.06 0.00 0.04 0.00 0.00 61.00 61.86 2x5a s PRO 214 Cb -0.29 -1.97 0.07 0.00 0.04 0.00 0.00 34.50 32.35 2x5a s PRO 214 CO 0.25 -1.42 1.51 0.00 0.04 0.00 0.00 177.00 177.38 2x5a h ALA 215 N -0.93 0.68 -2.19 8.56 0.00 -1.74 -3.39 119.26 120.25 2x5a h ALA 215 Ca -0.46 -0.47 -0.40 0.00 0.00 0.00 0.00 54.91 53.58 2x5a h ALA 215 Cb 1.30 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 2x5a h ALA 215 CO 0.65 0.67 -0.69 0.00 0.00 0.00 0.00 179.25 179.87 2x5a s ALA 216 N -4.23 1.87 -0.20 0.00 0.00 -1.26 -4.77 121.76 113.17 2x5a s ALA 216 Ca -0.09 -1.70 -0.29 0.00 0.00 0.00 0.00 51.96 49.89 2x5a s ALA 216 Cb 0.11 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 2x5a s ALA 216 CO 0.86 -0.10 1.95 0.54 0.00 0.00 0.00 175.76 179.00 2x5a s VAL 217 N -3.21 3.27 -0.26 0.00 0.11 -1.26 -4.59 120.40 114.45 2x5a s VAL 217 Ca 0.24 0.29 -0.13 0.00 -2.93 0.00 0.00 61.98 59.46 2x5a s VAL 217 Cb 0.03 -3.31 -0.04 0.00 -1.53 0.00 0.00 36.38 31.53 2x5a s VAL 217 CO 0.07 -0.16 0.27 -1.10 -3.33 0.00 0.00 175.10 170.84 2x5a s GLN 218 N 5.52 4.02 -0.56 1.54 -1.52 -1.09 -4.93 119.66 122.65 2x5a s GLN 218 Ca 0.88 -0.14 -0.22 0.00 -1.95 0.00 0.00 55.36 53.93 2x5a s GLN 218 Cb -0.30 -3.62 0.06 0.00 -0.22 0.00 0.00 33.01 28.92 2x5a s GLN 218 CO 0.34 -0.16 0.83 -1.12 -0.25 0.00 0.00 175.29 174.94 2x5a s SER 219 N 1.52 6.26 -0.30 5.90 0.01 -1.26 -2.04 113.70 123.80 2x5a s SER 219 Ca 0.11 -0.72 -0.10 0.00 1.31 0.00 0.00 55.95 56.56 2x5a s SER 219 Cb -0.15 -2.38 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 2x5a s SER 219 CO 0.09 -1.16 0.15 -0.76 0.41 0.00 0.00 173.24 171.98 2x5a s LEU 220 N 3.48 4.01 0.12 2.44 1.43 -0.01 -4.93 118.68 125.22 2x5a s LEU 220 Ca 0.23 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.64 2x5a s LEU 220 Cb -0.16 -2.01 -0.06 0.00 0.03 0.00 0.00 46.19 43.98 2x5a s LEU 220 CO 0.14 -0.15 0.97 -0.69 0.23 0.00 0.00 176.35 176.85 2x5a s VAL 221 N 1.64 4.44 0.19 -1.59 1.01 -1.26 -1.23 120.40 123.60 2x5a s VAL 221 Ca 0.05 2.04 0.01 0.00 0.00 0.00 0.00 61.98 64.08 2x5a s VAL 221 Cb -0.17 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 31.91 2x5a s VAL 221 CO 0.07 0.32 0.03 0.61 0.00 0.00 0.00 175.10 176.13 2x5a n GLY 222 N 2.21 3.85 3.25 4.51 0.00 0.13 -4.54 105.19 114.59 2x5a n GLY 222 Ca 0.02 -2.15 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 2x5a n GLY 222 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2x5a s HIS 223 N -1.96 -0.27 -0.35 1.61 2.46 -0.19 -2.78 115.29 113.81 2x5a s HIS 223 Ca 0.04 0.56 -0.20 0.00 0.47 0.00 0.00 55.06 55.92 2x5a s HIS 223 Cb 0.00 0.12 0.00 0.00 -0.13 0.00 0.00 32.58 32.57 2x5a s HIS 223 CO 0.03 -0.31 0.63 -0.06 -2.47 0.00 0.00 174.74 172.55 2x5a s PHE 224 N -0.72 3.16 0.11 3.88 0.08 -1.09 -1.18 117.98 122.23 2x5a s PHE 224 Ca -0.08 0.38 -0.35 0.00 0.12 0.00 0.00 56.93 57.00 2x5a s PHE 224 Cb -0.04 -3.10 -0.14 0.00 -0.57 0.00 0.00 43.02 39.16 2x5a s PHE 224 CO 0.03 -0.60 1.56 0.00 -0.10 0.00 0.00 175.22 176.11 2x5a n ALA 225 N 6.00 0.81 -1.46 5.36 0.00 -0.77 -2.29 120.51 128.17 2x5a n ALA 225 Ca -0.01 0.44 -0.07 0.00 0.00 0.00 0.00 53.44 53.80 2x5a n ALA 225 Cb 0.49 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.61 2x5a n ALA 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x5a n GLY 226 N 3.34 0.72 3.30 0.00 0.00 -1.26 -4.79 105.19 106.49 2x5a n GLY 226 Ca 0.18 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 2x5a n GLY 226 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x5a s ARG 227 N -3.10 1.45 -0.12 1.61 0.52 -0.97 -5.06 118.95 113.29 2x5a s ARG 227 Ca 0.00 -1.80 0.15 0.00 -0.52 0.00 0.00 55.73 53.56 2x5a s ARG 227 Cb 0.00 -0.05 0.51 0.00 0.52 0.00 0.00 34.95 35.92 2x5a s ARG 227 CO 0.00 -0.39 1.42 -0.40 0.02 0.00 0.00 175.30 175.95 2x5a n ASP 228 N -0.66 3.84 -4.78 0.23 5.68 -1.26 -4.86 116.55 114.75 2x5a n ASP 228 Ca 0.01 -2.62 -0.34 0.00 -0.50 0.00 0.00 54.79 51.34 2x5a n ASP 228 Cb 0.65 -0.46 -0.07 0.00 -1.14 0.00 0.00 41.12 40.10 2x5a n ASP 228 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2x5a s THR 229 N -2.13 4.78 0.43 2.12 -4.23 -1.26 -5.09 115.64 110.26 2x5a s THR 229 Ca 0.38 -0.25 0.03 0.00 -1.18 0.00 0.00 61.69 60.68 2x5a s THR 229 Cb 0.28 -3.12 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 2x5a s THR 229 CO 0.14 0.46 0.08 -0.94 -0.54 0.00 0.00 174.62 173.82 2x5a s SER 230 N -1.39 3.19 0.23 3.99 1.04 -1.26 -2.67 113.70 116.83 2x5a s SER 230 Ca 0.19 -1.62 -0.12 0.00 0.48 0.00 0.00 55.95 54.89 2x5a s SER 230 Cb -0.12 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 2x5a s SER 230 CO 0.09 -0.85 0.43 0.72 0.98 0.00 0.00 173.24 174.61 2x5a s PHE 231 N -3.10 0.41 -0.12 5.02 -0.12 -1.12 -4.65 117.98 114.31 2x5a s PHE 231 Ca 0.21 -0.76 -0.10 0.00 -0.05 0.00 0.00 56.93 56.22 2x5a s PHE 231 Cb 0.03 0.10 0.04 0.00 -0.63 0.00 0.00 43.02 42.56 2x5a s PHE 231 CO 0.11 -0.93 0.32 -3.38 -0.05 0.00 0.00 175.22 171.30 2x5a s HIS 232 N -4.02 -0.37 0.04 3.49 -3.43 -1.26 0.22 115.29 109.96 2x5a s HIS 232 Ca 0.23 0.88 0.06 0.00 -0.80 0.00 0.00 55.06 55.43 2x5a s HIS 232 Cb 0.00 0.13 -0.03 0.00 -1.43 0.00 0.00 32.58 31.25 2x5a s HIS 232 CO 0.08 -0.19 -0.12 0.96 -2.00 0.00 0.00 174.74 173.46 2x5a s ILE 233 N 0.39 3.21 -0.39 -5.38 -4.36 -0.37 -1.90 121.20 112.41 2x5a s ILE 233 Ca -0.02 -1.04 -0.08 0.00 -0.26 0.00 0.00 60.65 59.24 2x5a s ILE 233 Cb -0.04 -2.40 0.06 0.00 1.25 0.00 0.00 42.46 41.34 2x5a s ILE 233 CO -0.02 0.32 0.21 -1.81 0.24 0.00 0.00 174.94 173.88 2x5a s ASP 234 N -1.56 5.55 -0.77 4.36 1.11 0.09 -0.83 116.67 124.62 2x5a s ASP 234 Ca 0.17 -1.38 -0.20 0.00 0.18 0.00 0.00 52.55 51.32 2x5a s ASP 234 Cb -0.11 -1.95 0.11 0.00 1.07 0.00 0.00 42.92 42.04 2x5a s ASP 234 CO 0.08 -0.47 0.97 -0.63 1.18 0.00 0.00 175.17 176.30 2x5a s ILE 235 N 1.42 4.68 0.69 0.77 1.01 -0.86 -0.97 121.20 127.93 2x5a s ILE 235 Ca 0.02 -1.15 -0.15 0.00 0.00 0.00 0.00 60.65 59.37 2x5a s ILE 235 Cb -0.22 -4.67 0.02 0.00 0.01 0.00 0.00 42.46 37.60 2x5a s ILE 235 CO 0.02 -1.39 1.13 0.20 0.00 0.00 0.00 174.94 174.91 2x5a s ASN 236 N 3.56 4.82 0.64 3.58 0.01 -0.43 -2.65 114.94 124.47 2x5a s ASN 236 Ca 0.24 2.07 0.41 0.00 -0.71 0.00 0.00 52.86 54.88 2x5a s ASN 236 Cb -0.13 -2.56 2.22 0.00 0.41 0.00 0.00 41.25 41.19 2x5a s ASN 236 CO -0.00 -1.83 2.31 -0.65 -1.51 0.00 0.00 177.10 175.41 2x5a h PRO 237 N -0.15 0.00 -0.00 -0.60 0.11 -1.81 -2.28 132.00 127.27 2x5a h PRO 237 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2x5a h PRO 237 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2x5a h PRO 237 CO 0.53 0.01 -0.01 0.27 -0.21 0.00 0.00 178.00 178.58 2x5a n ASN 238 N -3.18 0.20 0.00 -2.05 6.94 -1.26 -4.68 115.26 111.23 2x5a n ASN 238 Ca -0.03 -0.81 0.00 0.00 -0.02 0.00 0.00 54.58 53.72 2x5a n ASN 238 Cb 0.11 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 2x5a n ASN 238 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2x5a n GLY 239 N 1.11 1.83 3.77 4.83 0.00 -0.86 -4.93 105.19 110.94 2x5a n GLY 239 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2x5a n GLY 239 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x5a s SER 240 N -1.53 6.65 -0.21 1.61 1.04 -1.26 -1.18 113.70 118.83 2x5a s SER 240 Ca 0.00 2.57 -0.04 0.00 0.48 0.00 0.00 55.95 58.96 2x5a s SER 240 Cb 0.00 -2.64 -0.02 0.00 0.10 0.00 0.00 66.02 63.47 2x5a s SER 240 CO 0.00 -0.60 -0.03 -0.63 0.98 0.00 0.00 173.24 172.96 2x5a s ILE 241 N -1.22 3.63 -0.20 -1.02 1.01 -1.26 -1.31 121.20 120.82 2x5a s ILE 241 Ca 0.52 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 60.73 2x5a s ILE 241 Cb -0.37 -2.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 2x5a s ILE 241 CO 0.48 0.43 -0.07 -0.89 0.00 0.00 0.00 174.94 174.88 2x5a s THR 242 N 1.21 3.18 0.22 2.92 2.01 -0.15 -1.37 115.64 123.67 2x5a s THR 242 Ca 0.03 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.16 2x5a s THR 242 Cb -0.14 -2.42 -0.09 0.00 0.01 0.00 0.00 72.50 69.86 2x5a s THR 242 CO -0.00 0.45 1.21 0.86 -0.69 0.00 0.00 174.62 176.45 2x5a s TRP 243 N 1.26 3.39 -0.02 4.92 -0.11 -0.65 -0.73 118.94 127.00 2x5a s TRP 243 Ca 0.03 1.44 0.21 0.00 1.22 0.00 0.00 56.10 59.00 2x5a s TRP 243 Cb -0.14 -3.45 0.36 0.00 -1.50 0.00 0.00 33.47 28.73 2x5a s TRP 243 CO -0.03 -1.25 1.15 0.91 -4.62 0.00 0.00 176.95 173.11 2x5a n TRP 244 N 2.11 0.00 -1.72 5.86 7.02 -0.80 -1.02 117.44 128.89 2x5a n TRP 244 Ca 0.03 -0.49 0.00 0.00 -1.02 0.00 0.00 57.50 56.02 2x5a n TRP 244 Cb 0.44 -0.14 0.00 0.00 -2.42 0.00 0.00 31.31 29.19 2x5a n TRP 244 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2x5a n GLY 245 N 0.29 2.27 3.83 6.99 0.00 -1.25 -4.47 105.19 112.85 2x5a n GLY 245 Ca 0.06 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 2x5a n GLY 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x5a s ALA 246 N -2.33 2.94 0.10 4.61 0.00 -1.26 -4.48 121.76 121.34 2x5a s ALA 246 Ca 0.00 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 51.93 2x5a s ALA 246 Cb 0.00 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.87 2x5a s ALA 246 CO 0.00 -0.46 1.44 -0.80 0.00 0.00 0.00 175.76 175.94 2x5a s ASN 247 N -2.93 6.78 -0.19 0.00 0.01 -1.26 -4.77 114.94 112.58 2x5a s ASN 247 Ca 0.61 2.35 -0.07 0.00 -0.71 0.00 0.00 52.86 55.04 2x5a s ASN 247 Cb -0.12 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.92 2x5a s ASN 247 CO 0.33 -0.71 0.05 -0.63 -1.51 0.00 0.00 177.10 174.63 2x5a s ILE 248 N 1.43 4.55 0.84 0.60 -1.09 0.67 -4.98 121.20 123.23 2x5a s ILE 248 Ca 0.66 -0.12 -0.09 0.00 -2.23 0.00 0.00 60.65 58.88 2x5a s ILE 248 Cb -0.37 -3.05 0.16 0.00 -1.58 0.00 0.00 42.46 37.61 2x5a s ILE 248 CO 0.30 0.45 1.16 1.51 -1.23 0.00 0.00 174.94 177.12 2x5a s ASP 249 N 0.57 3.77 0.37 3.58 1.47 -1.26 -1.61 116.67 123.55 2x5a s ASP 249 Ca 0.02 0.00 0.19 0.00 1.18 0.00 0.00 52.55 53.94 2x5a s ASP 249 Cb -0.13 -0.23 1.21 0.00 -0.34 0.00 0.00 42.92 43.43 2x5a s ASP 249 CO 0.01 -2.28 1.64 0.07 0.68 0.00 0.00 175.17 175.30 2x5a h LYS 250 N -1.09 0.20 -6.48 2.11 2.10 -1.97 -3.17 116.57 108.28 2x5a h LYS 250 Ca -0.41 -0.01 -0.53 0.00 -2.00 0.00 0.00 60.65 57.70 2x5a h LYS 250 Cb 1.25 -0.05 0.03 0.00 -0.90 0.00 0.00 32.23 32.56 2x5a h LYS 250 CO 0.40 0.13 0.97 0.99 -2.00 0.00 0.00 179.45 179.95 2x5a s THR 251 N -5.56 2.97 -0.06 0.07 2.01 -1.26 -4.65 115.64 109.16 2x5a s THR 251 Ca -0.09 0.49 -0.21 0.00 0.31 0.00 0.00 61.69 62.18 2x5a s THR 251 Cb 0.31 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 2x5a s THR 251 CO 0.79 0.01 0.60 -2.16 -0.69 0.00 0.00 174.62 173.17 2x5a s PRO 252 N 2.36 4.37 -0.15 4.92 0.05 -1.26 -4.67 135.00 140.62 2x5a s PRO 252 Ca 0.73 0.72 -0.02 0.00 0.05 0.00 0.00 61.00 62.48 2x5a s PRO 252 Cb -0.40 -3.40 -0.02 0.00 0.05 0.00 0.00 34.50 30.72 2x5a s PRO 252 CO 0.32 0.20 -0.09 0.42 0.05 0.00 0.00 177.00 177.90 2x5a s ILE 253 N 0.38 3.35 0.24 0.56 1.01 -1.06 -4.89 121.20 120.78 2x5a s ILE 253 Ca 0.32 -0.55 -0.31 0.00 0.00 0.00 0.00 60.65 60.11 2x5a s ILE 253 Cb -0.17 -2.44 -0.12 0.00 0.01 0.00 0.00 42.46 39.74 2x5a s ILE 253 CO 0.16 0.50 1.66 0.00 0.00 0.00 0.00 174.94 177.26 2x5a n ALA 254 N 3.66 2.59 -3.64 9.38 0.00 -1.26 -2.38 120.51 128.85 2x5a n ALA 254 Ca -0.18 0.39 -0.34 0.00 0.00 0.00 0.00 53.44 53.32 2x5a n ALA 254 Cb 0.52 -2.48 -0.15 0.00 0.00 0.00 0.00 19.45 17.34 2x5a n ALA 254 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2x5a s THR 255 N 0.71 2.88 0.11 0.00 -4.23 0.11 -1.85 115.64 113.37 2x5a s THR 255 Ca 0.71 -0.67 0.03 0.00 -1.18 0.00 0.00 61.69 60.58 2x5a s THR 255 Cb -0.52 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 2x5a s THR 255 CO 0.39 0.48 -0.08 -0.13 -0.54 0.00 0.00 174.62 174.74 2x5a s ARG 256 N 1.25 0.90 0.00 3.99 1.81 -0.33 -2.88 118.95 123.69 2x5a s ARG 256 Ca 0.03 -1.36 0.00 0.00 -1.72 0.00 0.00 55.73 52.68 2x5a s ARG 256 Cb -0.14 -0.35 0.00 0.00 -0.45 0.00 0.00 34.95 34.01 2x5a s ARG 256 CO -0.05 0.01 0.00 0.41 -0.68 0.00 0.00 175.30 174.99 2x5a n GLY 257 N -0.06 3.47 3.04 -3.53 0.00 -1.26 -1.02 105.19 105.83 2x5a n GLY 257 Ca -0.12 -1.55 -0.25 0.00 0.00 0.00 0.00 46.02 44.10 2x5a n GLY 257 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x5a s ASN 258 N 0.00 1.85 -0.06 1.61 -0.87 -1.26 -0.85 114.94 115.36 2x5a s ASN 258 Ca 0.00 -0.31 -0.00 0.00 -1.57 0.00 0.00 52.86 50.98 2x5a s ASN 258 Cb 0.00 -0.83 0.03 0.00 -0.02 0.00 0.00 41.25 40.42 2x5a s ASN 258 CO 0.00 0.05 -0.02 -0.83 -2.57 0.00 0.00 177.10 173.72 2x5a s GLY 259 N 0.61 0.49 -0.01 0.66 0.00 -0.41 -4.90 107.32 103.76 2x5a s GLY 259 Ca -0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 44.72 44.44 2x5a s GLY 259 CO 0.04 0.82 0.06 -1.35 0.00 0.00 0.00 173.10 172.67 2x5a s SER 260 N 1.51 5.58 0.12 1.64 1.04 -1.26 -0.69 113.70 121.64 2x5a s SER 260 Ca -0.02 0.13 -0.14 0.00 0.48 0.00 0.00 55.95 56.41 2x5a s SER 260 Cb -0.13 -1.58 0.02 0.00 0.10 0.00 0.00 66.02 64.43 2x5a s SER 260 CO -0.03 0.28 0.34 -0.72 0.98 0.00 0.00 173.24 174.09 2x5a s TYR 261 N -1.15 -0.08 -0.09 5.02 -0.85 -0.75 -5.02 117.35 114.43 2x5a s TYR 261 Ca 0.21 -0.27 -0.04 0.00 -0.52 0.00 0.00 57.07 56.46 2x5a s TYR 261 Cb -0.12 0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.35 2x5a s TYR 261 CO 0.12 -0.66 0.09 -0.06 -1.52 0.00 0.00 175.55 173.52 2x5a s PHE 262 N -3.83 3.41 -0.14 -3.49 0.08 -1.26 -1.62 117.98 111.13 2x5a s PHE 262 Ca 0.04 0.37 -0.15 0.00 0.12 0.00 0.00 56.93 57.31 2x5a s PHE 262 Cb 0.03 -1.86 -0.12 0.00 -0.57 0.00 0.00 43.02 40.50 2x5a s PHE 262 CO -0.11 0.62 0.25 0.82 -0.10 0.00 0.00 175.22 176.70 2x5a h ILE 263 N 3.86 0.73 0.00 0.64 2.04 -1.56 -3.42 117.51 119.79 2x5a h ILE 263 Ca -0.52 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 63.69 2x5a h ILE 263 Cb 1.21 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 2x5a h ILE 263 CO 0.58 0.25 0.00 0.29 0.00 0.00 0.00 178.15 179.27