#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x54 s ILE 3 N 0.00 4.00 -0.45 12.58 1.01 -1.26 -5.08 121.20 132.00 2x54 s ILE 3 Ca 0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 60.65 60.24 2x54 s ILE 3 Cb 0.00 -2.82 0.08 0.00 0.01 0.00 0.00 42.46 39.73 2x54 s ILE 3 CO 0.00 0.41 0.33 -0.54 0.00 0.00 0.00 174.94 175.14 2x54 s LYS 4 N 1.11 2.77 0.13 2.79 -0.14 -1.26 -5.09 119.74 120.05 2x54 s LYS 4 Ca 0.03 -1.43 -0.19 0.00 -1.36 0.00 0.00 55.97 53.02 2x54 s LYS 4 Cb -0.14 -3.95 -0.07 0.00 -1.68 0.00 0.00 37.83 31.99 2x54 s LYS 4 CO 0.02 -1.00 0.62 -0.80 -0.76 0.00 0.00 175.35 173.42 2x54 s ASN 5 N 2.37 7.05 0.12 2.83 0.02 -1.26 -5.02 114.94 121.05 2x54 s ASN 5 Ca 0.03 1.29 0.00 0.00 -1.02 0.00 0.00 52.86 53.17 2x54 s ASN 5 Cb -0.24 -2.37 0.00 0.00 0.02 0.00 0.00 41.25 38.66 2x54 s ASN 5 CO 0.04 0.19 0.00 0.49 0.02 0.00 0.00 177.10 177.84 2x54 n PHE 6 N 1.33 -0.59 -1.27 2.20 3.01 -1.26 -4.76 117.46 116.12 2x54 n PHE 6 Ca -0.07 0.10 -0.37 0.00 1.01 0.00 0.00 57.45 58.12 2x54 n PHE 6 Cb 0.51 0.17 -0.03 0.00 -0.01 0.00 0.00 39.48 40.12 2x54 n PHE 6 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2x54 n THR 7 N -3.34 4.03 -3.94 4.37 -1.04 -1.26 -4.81 114.28 108.29 2x54 n THR 7 Ca 0.00 -2.47 -0.08 0.00 -2.04 0.00 0.00 64.05 59.46 2x54 n THR 7 Cb 0.09 -2.56 -0.09 0.00 -1.82 0.00 0.00 70.33 65.95 2x54 n THR 7 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2x54 s PHE 8 N 2.41 0.27 0.20 -1.42 0.40 -1.26 -5.16 117.98 113.42 2x54 s PHE 8 Ca 0.65 -0.69 -0.30 0.00 -0.60 0.00 0.00 56.93 55.99 2x54 s PHE 8 Cb 0.17 -0.17 -0.08 0.00 0.51 0.00 0.00 43.02 43.44 2x54 s PHE 8 CO -0.06 -0.45 1.13 -0.06 0.70 0.00 0.00 175.22 176.49 2x54 s PHE 9 N -3.51 3.53 -0.46 0.36 2.99 -1.26 -4.79 117.98 114.83 2x54 s PHE 9 Ca 0.03 1.56 -0.13 0.00 0.00 0.00 0.00 56.93 58.39 2x54 s PHE 9 Cb 0.04 -3.33 0.08 0.00 0.00 0.00 0.00 43.02 39.81 2x54 s PHE 9 CO -0.09 -0.80 0.36 -1.12 -0.00 0.00 0.00 175.22 173.58 2x54 s SER 10 N -0.21 5.96 0.14 1.36 0.01 -1.26 -4.77 113.70 114.94 2x54 s SER 10 Ca 0.49 -1.47 -0.17 0.00 1.31 0.00 0.00 55.95 56.11 2x54 s SER 10 Cb -0.31 -2.11 0.01 0.00 0.21 0.00 0.00 66.02 63.82 2x54 s SER 10 CO 0.37 -0.64 1.76 -0.65 0.41 0.00 0.00 173.24 174.49 2x54 h PRO 11 N 8.64 0.27 -0.62 12.44 0.11 -1.99 -2.67 132.00 148.18 2x54 h PRO 11 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2x54 h PRO 11 Cb 1.10 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2x54 h PRO 11 CO 0.86 0.18 0.00 0.09 -0.21 0.00 0.00 178.00 178.92 2x54 n ASN 12 N -4.99 3.72 -2.90 -2.05 3.02 -1.26 -4.94 115.26 105.86 2x54 n ASN 12 Ca -0.00 -2.29 -0.22 0.00 -0.03 0.00 0.00 54.58 52.04 2x54 n ASN 12 Cb 0.09 -0.49 0.02 0.00 -0.61 0.00 0.00 39.78 38.79 2x54 n ASN 12 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2x54 n SER 13 N 0.91 -5.78 0.00 6.41 7.64 -1.01 -4.80 113.62 116.99 2x54 n SER 13 Ca 0.20 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2x54 n SER 13 Cb 0.68 -4.71 0.00 0.00 -1.01 0.00 0.00 64.21 59.17 2x54 n SER 13 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2x54 n THR 14 N -4.31 0.00 0.24 0.44 -2.24 -1.26 -4.99 114.28 102.16 2x54 n THR 14 Ca -0.13 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.47 2x54 n THR 14 Cb 0.63 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.76 2x54 n THR 14 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2x54 h GLU 15 N 0.00 -0.89 -3.02 -0.78 3.07 -1.88 -3.38 114.58 107.70 2x54 h GLU 15 Ca 0.00 0.06 -0.62 0.00 -0.50 0.00 0.00 59.36 58.30 2x54 h GLU 15 Cb 0.00 0.20 -0.42 0.00 -0.84 0.00 0.00 28.75 27.69 2x54 h GLU 15 CO 0.00 -0.59 -0.60 1.19 -1.40 0.00 0.00 179.01 177.61 2x54 n PHE 16 N -5.54 2.98 -2.79 4.33 3.72 -1.26 -5.03 117.46 113.87 2x54 n PHE 16 Ca -0.11 -4.24 -0.42 0.00 -0.05 0.00 0.00 57.45 52.63 2x54 n PHE 16 Cb 0.44 -0.57 -0.03 0.00 -0.94 0.00 0.00 39.48 38.39 2x54 n PHE 16 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2x54 s PRO 17 N -1.39 4.41 -0.29 -1.08 0.05 -1.26 -4.90 135.00 130.53 2x54 s PRO 17 Ca 0.26 1.23 -0.12 0.00 0.05 0.00 0.00 61.00 62.42 2x54 s PRO 17 Cb -0.03 -3.53 -0.04 0.00 0.05 0.00 0.00 34.50 30.95 2x54 s PRO 17 CO -0.17 -0.24 0.21 0.54 0.05 0.00 0.00 177.00 177.39 2x54 s VAL 18 N 1.76 5.30 0.74 -0.36 0.11 -1.26 -5.00 120.40 121.69 2x54 s VAL 18 Ca 0.45 0.11 -0.07 0.00 -2.93 0.00 0.00 61.98 59.54 2x54 s VAL 18 Cb -0.18 -3.58 0.09 0.00 -1.53 0.00 0.00 36.38 31.18 2x54 s VAL 18 CO 0.18 0.19 1.05 -0.83 -3.33 0.00 0.00 175.10 172.35 2x54 s GLY 19 N 1.75 1.72 0.30 6.54 0.00 -1.26 -4.93 107.32 111.43 2x54 s GLY 19 Ca 0.07 -1.10 0.01 0.00 0.00 0.00 0.00 44.72 43.70 2x54 s GLY 19 CO 0.11 -0.62 1.83 1.48 0.00 0.00 0.00 173.10 175.90 2x54 h SER 20 N -0.71 0.64 0.20 1.64 4.64 -1.99 -1.82 113.55 116.15 2x54 h SER 20 Ca -0.43 -0.13 -0.23 0.00 -0.47 0.00 0.00 61.79 60.53 2x54 h SER 20 Cb 1.30 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2x54 h SER 20 CO 0.54 0.68 -0.93 -0.55 -0.87 0.00 0.00 176.83 175.71 2x54 h ASN 21 N 0.65 0.66 -0.45 4.97 -1.07 -1.95 -0.83 115.58 117.55 2x54 h ASN 21 Ca 0.14 -0.51 -0.06 0.00 0.07 0.00 0.00 56.30 55.94 2x54 h ASN 21 Cb 0.35 -0.20 -0.02 0.00 -2.07 0.00 0.00 38.32 36.38 2x54 h ASN 21 CO 0.01 1.30 0.06 0.78 0.07 0.00 0.00 177.43 179.65 2x54 h ASN 22 N 0.31 0.73 0.17 6.14 -0.26 -1.85 0.07 115.58 120.88 2x54 h ASN 22 Ca -0.08 -0.27 -0.19 0.00 -0.56 0.00 0.00 56.30 55.20 2x54 h ASN 22 Cb 1.56 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 38.62 2x54 h ASN 22 CO 0.17 0.82 -0.71 0.44 -1.06 0.00 0.00 177.43 177.08 2x54 h ASP 23 N 0.62 0.57 -0.33 5.81 5.19 -1.41 -2.45 116.42 124.42 2x54 h ASP 23 Ca 0.14 -0.36 0.03 0.00 -0.62 0.00 0.00 57.03 56.21 2x54 h ASP 23 Cb 0.41 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.72 2x54 h ASP 23 CO 0.01 1.11 0.15 1.23 -3.12 0.00 0.00 179.24 178.62 2x54 h GLY 24 N 1.15 0.43 1.01 2.75 0.00 -0.88 0.87 103.07 108.41 2x54 h GLY 24 Ca -0.03 -0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 2x54 h GLY 24 CO 0.13 0.08 0.04 0.50 0.00 0.00 0.00 176.54 177.28 2x54 h LYS 25 N 0.32 0.90 -0.20 4.80 1.57 -1.01 -2.75 116.57 120.20 2x54 h LYS 25 Ca 0.14 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2x54 h LYS 25 Cb 0.06 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2x54 h LYS 25 CO -0.11 0.90 0.03 1.25 -0.57 0.00 0.00 179.45 180.96 2x54 h LEU 26 N 0.77 -0.01 -1.21 2.94 5.85 -0.95 -2.62 115.31 120.08 2x54 h LEU 26 Ca 0.15 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 2x54 h LEU 26 Cb 0.48 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2x54 h LEU 26 CO 0.02 0.02 0.06 1.88 -0.34 0.00 0.00 178.44 180.09 2x54 h TYR 27 N 0.11 0.62 -0.28 1.25 0.05 -0.79 -2.87 116.97 115.06 2x54 h TYR 27 Ca 0.09 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 2x54 h TYR 27 Cb 0.09 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 2x54 h TYR 27 CO -0.15 0.56 0.10 0.52 -1.05 0.00 0.00 178.16 178.15 2x54 h MET 28 N 0.59 0.41 -0.17 4.88 2.86 -1.19 -2.96 114.93 119.35 2x54 h MET 28 Ca 0.13 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 2x54 h MET 28 Cb 0.28 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2x54 h MET 28 CO 0.00 0.45 -0.20 0.52 1.06 0.00 0.00 176.91 178.74 2x54 h MET 29 N 0.29 0.29 -0.09 1.72 2.86 -1.35 0.68 114.93 119.33 2x54 h MET 29 Ca 0.09 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2x54 h MET 29 Cb 0.19 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 2x54 h MET 29 CO -0.01 0.49 -0.04 -0.07 1.06 0.00 0.00 176.91 178.34 2x54 h LEU 30 N 0.27 0.18 0.00 1.22 3.38 -1.44 -3.26 115.31 115.66 2x54 h LEU 30 Ca 0.05 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 2x54 h LEU 30 Cb 0.51 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2x54 h LEU 30 CO 0.03 0.55 -0.41 0.00 0.09 0.00 0.00 178.44 178.71 2x54 h THR 31 N -0.19 0.07 -3.26 0.22 1.03 -1.50 -3.49 112.91 105.80 2x54 h THR 31 Ca 0.02 -1.11 -0.03 0.00 -0.01 0.00 0.00 66.41 65.28 2x54 h THR 31 Cb 0.48 1.87 0.02 0.00 -1.07 0.00 0.00 68.15 69.45 2x54 h THR 31 CO 0.01 0.04 -0.10 0.61 -0.01 0.00 0.00 175.52 176.08 2x54 n GLY 32 N 1.14 0.68 3.31 2.99 0.00 0.14 -4.64 105.19 108.82 2x54 n GLY 32 Ca 0.02 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 2x54 n GLY 32 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2x54 s MET 33 N -3.17 1.21 0.21 1.61 0.23 -0.68 -0.34 119.30 118.38 2x54 s MET 33 Ca 0.05 -1.40 0.02 0.00 -1.03 0.00 0.00 55.69 53.32 2x54 s MET 33 Cb -0.01 -1.15 0.02 0.00 -1.53 0.00 0.00 34.83 32.17 2x54 s MET 33 CO 0.08 0.22 0.15 -0.40 -2.03 0.00 0.00 175.02 173.04 2x54 n ASP 34 N 0.19 1.70 -0.06 -1.18 5.68 -1.26 -4.69 116.55 116.93 2x54 n ASP 34 Ca -0.12 -1.74 0.13 0.00 -0.50 0.00 0.00 54.79 52.55 2x54 n ASP 34 Cb 0.58 -0.01 0.73 0.00 -1.14 0.00 0.00 41.12 41.28 2x54 n ASP 34 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 2x54 n TYR 35 N -0.99 0.01 0.67 2.11 4.01 -1.26 -3.47 117.16 118.25 2x54 n TYR 35 Ca -0.01 -0.01 0.09 0.00 -0.16 0.00 0.00 57.90 57.82 2x54 n TYR 35 Cb 0.24 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.15 2x54 n TYR 35 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2x54 n ARG 36 N -0.78 0.63 -4.53 -0.72 1.74 -1.26 -4.02 116.66 107.73 2x54 n ARG 36 Ca 0.19 -0.05 -0.25 0.00 -0.77 0.00 0.00 57.85 56.97 2x54 n ARG 36 Cb 0.12 -1.42 -0.10 0.00 -1.02 0.00 0.00 32.46 30.03 2x54 n ARG 36 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2x54 s THR 37 N -2.96 2.25 0.41 0.55 -1.32 -1.23 -4.84 115.64 108.51 2x54 s THR 37 Ca 0.04 -2.23 0.04 0.00 -1.21 0.00 0.00 61.69 58.32 2x54 s THR 37 Cb 0.14 -2.58 -0.04 0.00 -1.51 0.00 0.00 72.50 68.51 2x54 s THR 37 CO 0.80 -0.24 0.06 0.27 -2.21 0.00 0.00 174.62 173.30 2x54 s ILE 38 N -2.61 1.11 -0.27 5.08 -0.00 -1.26 -4.53 121.20 118.72 2x54 s ILE 38 Ca 0.32 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.97 2x54 s ILE 38 Cb 0.01 -2.54 0.08 0.00 -0.00 0.00 0.00 42.46 40.02 2x54 s ILE 38 CO 0.16 0.00 0.02 -0.13 -0.00 0.00 0.00 174.94 174.99 2x54 s ARG 39 N -3.80 1.16 -0.03 0.37 1.81 -0.99 -4.67 118.95 112.79 2x54 s ARG 39 Ca 0.25 -1.05 0.05 0.00 -1.72 0.00 0.00 55.73 53.26 2x54 s ARG 39 Cb 0.05 -2.41 -0.01 0.00 -0.45 0.00 0.00 34.95 32.14 2x54 s ARG 39 CO 0.13 -0.78 -0.18 0.50 -0.68 0.00 0.00 175.30 174.29 2x54 s ARG 40 N 1.47 1.70 -0.08 3.54 3.00 -1.26 -0.32 118.95 127.01 2x54 s ARG 40 Ca 0.02 -0.64 -0.03 0.00 -1.00 0.00 0.00 55.73 54.08 2x54 s ARG 40 Cb -0.18 -1.54 0.04 0.00 0.00 0.00 0.00 34.95 33.28 2x54 s ARG 40 CO -0.13 0.31 0.15 0.21 0.00 0.00 0.00 175.30 175.84 2x54 s LYS 41 N -0.15 0.05 -0.63 5.12 2.47 -0.89 -5.03 119.74 120.68 2x54 s LYS 41 Ca 0.00 0.49 -0.21 0.00 -1.56 0.00 0.00 55.97 54.70 2x54 s LYS 41 Cb -0.10 -0.25 0.09 0.00 -1.46 0.00 0.00 37.83 36.12 2x54 s LYS 41 CO 0.01 -0.26 0.84 -0.51 0.16 0.00 0.00 175.35 175.59 2x54 s ASP 42 N 1.88 6.19 0.23 1.43 1.01 -1.26 -2.19 116.67 123.97 2x54 s ASP 42 Ca -0.01 -1.26 -0.01 0.00 0.71 0.00 0.00 52.55 51.98 2x54 s ASP 42 Cb -0.12 -2.36 0.25 0.00 1.01 0.00 0.00 42.92 41.70 2x54 s ASP 42 CO -0.06 -1.26 1.62 -0.50 0.21 0.00 0.00 175.17 175.18 2x54 h TRP 43 N 9.35 0.65 -3.44 4.23 4.06 -1.70 -3.42 115.95 125.68 2x54 h TRP 43 Ca -0.28 -0.18 -0.43 0.00 2.06 0.00 0.00 58.89 60.07 2x54 h TRP 43 Cb 1.08 -0.14 -0.34 0.00 -1.00 0.00 0.00 29.16 28.75 2x54 h TRP 43 CO 0.91 0.84 -0.78 -1.54 -3.56 0.00 0.00 178.44 174.31 2x54 s SER 44 N -6.84 1.12 0.07 -3.49 1.04 -1.16 -5.05 113.70 99.39 2x54 s SER 44 Ca -0.07 -0.15 -0.35 0.00 0.48 0.00 0.00 55.95 55.85 2x54 s SER 44 Cb 0.13 -0.51 -0.15 0.00 0.10 0.00 0.00 66.02 65.59 2x54 s SER 44 CO 0.82 -0.05 1.55 -0.24 0.98 0.00 0.00 173.24 176.30 2x54 n SER 45 N 4.10 2.61 -4.77 7.02 2.88 -1.26 -3.98 113.62 120.23 2x54 n SER 45 Ca -0.23 1.08 -0.40 0.00 -1.33 0.00 0.00 58.87 57.99 2x54 n SER 45 Cb 0.51 -1.32 -0.01 0.00 -0.75 0.00 0.00 64.21 62.64 2x54 n SER 45 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 2x54 s PRO 46 N 1.39 4.10 -0.08 -1.46 0.02 -1.26 -4.66 135.00 133.06 2x54 s PRO 46 Ca 0.84 2.16 -0.15 0.00 0.02 0.00 0.00 61.00 63.88 2x54 s PRO 46 Cb -0.80 -2.86 -0.05 0.00 0.02 0.00 0.00 34.50 30.81 2x54 s PRO 46 CO 0.45 -0.38 0.37 -0.51 -0.33 0.00 0.00 177.00 176.60 2x54 s LEU 47 N -2.22 4.37 -0.34 -5.54 1.43 -0.18 -4.93 118.68 111.26 2x54 s LEU 47 Ca 0.54 0.78 -0.06 0.00 -1.03 0.00 0.00 54.13 54.36 2x54 s LEU 47 Cb -0.38 -2.52 0.04 0.00 0.03 0.00 0.00 46.19 43.36 2x54 s LEU 47 CO 0.50 0.20 0.10 0.20 0.23 0.00 0.00 176.35 177.58 2x54 s ASN 48 N -0.31 5.30 -0.22 2.29 0.01 -1.26 -0.55 114.94 120.21 2x54 s ASN 48 Ca 0.22 -1.15 0.02 0.00 -0.71 0.00 0.00 52.86 51.24 2x54 s ASN 48 Cb -0.15 -1.86 0.04 0.00 0.41 0.00 0.00 41.25 39.69 2x54 s ASN 48 CO 0.10 -0.33 -0.15 -0.89 -1.51 0.00 0.00 177.10 174.32 2x54 s THR 49 N 1.40 2.09 0.00 1.60 2.01 -0.91 -4.96 115.64 116.88 2x54 s THR 49 Ca -0.02 -1.27 0.00 0.00 0.31 0.00 0.00 61.69 60.71 2x54 s THR 49 Cb -0.20 -2.05 0.00 0.00 0.01 0.00 0.00 72.50 70.27 2x54 s THR 49 CO 0.03 0.26 0.00 0.00 -0.69 0.00 0.00 174.62 174.22 2x54 n ALA 50 N 4.53 0.00 -1.50 7.40 0.00 -1.26 -2.41 120.51 127.27 2x54 n ALA 50 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.99 2x54 n ALA 50 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 2x54 n ALA 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2x54 n LEU 51 N 0.00 6.49 -3.79 0.00 4.77 -1.22 -3.89 117.00 119.37 2x54 n LEU 51 Ca 0.00 -4.08 -0.13 0.00 -0.03 0.00 0.00 56.01 51.78 2x54 n LEU 51 Cb 0.00 -1.24 -0.11 0.00 -2.33 0.00 0.00 43.42 39.75 2x54 n LEU 51 CO 0.00 1.74 -0.07 0.20 -1.33 0.00 0.00 177.39 177.93 2x54 s ASN 52 N 0.38 -0.21 -0.18 -1.43 0.01 -1.01 -0.47 114.94 112.03 2x54 s ASN 52 Ca 0.59 0.31 0.01 0.00 -0.71 0.00 0.00 52.86 53.06 2x54 s ASN 52 Cb 0.38 0.44 0.03 0.00 0.41 0.00 0.00 41.25 42.51 2x54 s ASN 52 CO -0.22 -0.22 -0.12 0.54 -1.51 0.00 0.00 177.10 175.57 2x54 s VAL 53 N -0.44 1.64 -0.28 1.60 0.11 -0.82 -2.13 120.40 120.08 2x54 s VAL 53 Ca -0.05 -0.88 -0.11 0.00 -2.93 0.00 0.00 61.98 58.01 2x54 s VAL 53 Cb -0.04 -1.65 -0.05 0.00 -1.53 0.00 0.00 36.38 33.12 2x54 s VAL 53 CO 0.01 0.29 0.18 -1.58 -3.33 0.00 0.00 175.10 170.67 2x54 s GLN 54 N 1.42 3.94 -0.81 1.54 0.74 0.29 -1.36 119.66 125.42 2x54 s GLN 54 Ca 0.01 -0.32 -0.21 0.00 0.05 0.00 0.00 55.36 54.89 2x54 s GLN 54 Cb -0.15 -3.64 0.10 0.00 1.10 0.00 0.00 33.01 30.42 2x54 s GLN 54 CO -0.09 -0.17 1.08 0.71 -0.55 0.00 0.00 175.29 176.26 2x54 s TYR 55 N 1.72 2.88 0.13 1.67 2.02 -0.45 -1.01 117.35 124.30 2x54 s TYR 55 Ca 0.07 -0.98 -0.29 0.00 -0.37 0.00 0.00 57.07 55.50 2x54 s TYR 55 Cb -0.16 -4.32 -0.05 0.00 -0.40 0.00 0.00 41.96 37.03 2x54 s TYR 55 CO 0.10 -1.59 1.59 1.79 -1.57 0.00 0.00 175.55 175.87 2x54 h THR 56 N 5.97 0.17 -1.40 -0.71 1.35 -1.80 -0.22 112.91 116.27 2x54 h THR 56 Ca -0.04 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.72 2x54 h THR 56 Cb 1.04 0.17 -0.25 0.00 -1.73 0.00 0.00 68.15 67.38 2x54 h THR 56 CO 1.16 0.00 -0.47 0.21 -0.25 0.00 0.00 175.52 176.17 2x54 s ASN 57 N -4.87 -0.48 -0.07 5.36 2.47 -1.23 -1.43 114.94 114.70 2x54 s ASN 57 Ca -0.15 -0.15 -0.01 0.00 0.42 0.00 0.00 52.86 52.96 2x54 s ASN 57 Cb 0.09 1.50 0.03 0.00 -1.45 0.00 0.00 41.25 41.43 2x54 s ASN 57 CO 0.64 -0.33 0.01 -0.89 -3.72 0.00 0.00 177.10 172.81 2x54 s THR 58 N 2.66 0.30 -0.11 -5.21 2.01 -0.93 -1.60 115.64 112.76 2x54 s THR 58 Ca 0.10 0.16 -0.12 0.00 0.31 0.00 0.00 61.69 62.15 2x54 s THR 58 Cb -0.11 -0.47 -0.05 0.00 0.01 0.00 0.00 72.50 71.88 2x54 s THR 58 CO -0.28 0.25 0.27 -0.44 -0.69 0.00 0.00 174.62 173.72 2x54 s SER 59 N 1.96 6.51 -0.04 3.53 0.01 -0.93 -0.29 113.70 124.46 2x54 s SER 59 Ca 0.04 0.60 0.02 0.00 1.31 0.00 0.00 55.95 57.92 2x54 s SER 59 Cb -0.12 -2.16 0.01 0.00 0.21 0.00 0.00 66.02 63.96 2x54 s SER 59 CO -0.05 0.26 -0.08 -0.63 0.41 0.00 0.00 173.24 173.15 2x54 s ILE 60 N -0.40 0.75 -0.52 1.44 1.01 -0.04 -2.09 121.20 121.34 2x54 s ILE 60 Ca 0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 2x54 s ILE 60 Cb -0.14 -0.70 0.14 0.00 0.01 0.00 0.00 42.46 41.77 2x54 s ILE 60 CO 0.06 0.25 0.33 -0.63 0.00 0.00 0.00 174.94 174.95 2x54 s ILE 61 N 0.47 3.54 -0.22 2.92 1.01 0.57 -1.86 121.20 127.64 2x54 s ILE 61 Ca -0.07 -2.48 -0.04 0.00 0.00 0.00 0.00 60.65 58.06 2x54 s ILE 61 Cb -0.11 -3.37 -0.01 0.00 0.01 0.00 0.00 42.46 38.98 2x54 s ILE 61 CO 0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 174.94 174.13 2x54 s ALA 62 N 0.58 2.87 -1.41 9.38 0.00 -0.91 -2.35 121.76 129.91 2x54 s ALA 62 Ca 0.12 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 2x54 s ALA 62 Cb -0.22 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.18 2x54 s ALA 62 CO -0.04 -0.36 0.12 0.41 0.00 0.00 0.00 175.76 175.90 2x54 n GLY 63 N 4.66 -0.32 2.27 0.00 0.00 -1.26 -1.94 105.19 108.60 2x54 n GLY 63 Ca -0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 2x54 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x54 n GLY 64 N -1.11 0.44 3.42 -0.02 0.00 -1.26 -4.69 105.19 101.96 2x54 n GLY 64 Ca -0.18 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 2x54 n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x54 s ARG 65 N -0.91 3.42 -0.00 1.61 1.81 -0.82 -4.27 118.95 119.79 2x54 s ARG 65 Ca 0.00 -0.64 -0.25 0.00 -1.72 0.00 0.00 55.73 53.12 2x54 s ARG 65 Cb 0.00 -3.40 -0.05 0.00 -0.45 0.00 0.00 34.95 31.05 2x54 s ARG 65 CO 0.00 -0.32 0.75 -0.47 -0.68 0.00 0.00 175.30 174.58 2x54 s TYR 66 N 1.58 3.67 -0.04 -0.53 5.04 -1.26 -2.14 117.35 123.67 2x54 s TYR 66 Ca 0.05 1.39 -0.17 0.00 -2.44 0.00 0.00 57.07 55.90 2x54 s TYR 66 Cb -0.16 -2.83 0.03 0.00 0.35 0.00 0.00 41.96 39.36 2x54 s TYR 66 CO 0.04 0.19 0.39 -0.59 -1.34 0.00 0.00 175.55 174.23 2x54 s PHE 67 N 0.33 -0.30 -0.09 4.97 -0.12 -0.78 -5.02 117.98 116.98 2x54 s PHE 67 Ca 0.39 0.53 0.01 0.00 -0.05 0.00 0.00 56.93 57.81 2x54 s PHE 67 Cb -0.19 0.16 -0.02 0.00 -0.63 0.00 0.00 43.02 42.33 2x54 s PHE 67 CO 0.21 -0.40 -0.10 -1.21 -0.05 0.00 0.00 175.22 173.67 2x54 s GLU 68 N -1.07 2.93 -0.46 1.99 2.02 -1.26 -0.86 118.70 121.99 2x54 s GLU 68 Ca -0.11 -0.62 -0.13 0.00 0.02 0.00 0.00 54.97 54.13 2x54 s GLU 68 Cb -0.04 -2.57 0.08 0.00 0.10 0.00 0.00 34.13 31.70 2x54 s GLU 68 CO 0.05 0.50 0.35 -0.51 0.02 0.00 0.00 175.26 175.66 2x54 s LEU 69 N -0.38 5.49 -0.47 1.80 1.43 0.61 -4.99 118.68 122.18 2x54 s LEU 69 Ca 0.05 -1.47 -0.07 0.00 -1.03 0.00 0.00 54.13 51.61 2x54 s LEU 69 Cb -0.12 -2.10 0.12 0.00 0.03 0.00 0.00 46.19 44.12 2x54 s LEU 69 CO 0.02 -0.62 0.31 -0.76 0.23 0.00 0.00 176.35 175.53 2x54 s LEU 70 N 1.54 5.56 -1.48 1.79 1.43 -1.26 -2.19 118.68 124.07 2x54 s LEU 70 Ca 0.04 -2.02 -0.07 0.00 -1.03 0.00 0.00 54.13 51.04 2x54 s LEU 70 Cb -0.24 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.05 2x54 s LEU 70 CO 0.04 -0.63 0.74 0.59 0.23 0.00 0.00 176.35 177.33 2x54 n ASN 71 N 4.71 -5.67 -4.56 2.29 4.13 -0.11 -4.97 115.26 111.08 2x54 n ASN 71 Ca -0.05 -0.41 -0.43 0.00 1.68 0.00 0.00 54.58 55.38 2x54 n ASN 71 Cb 0.41 -4.56 -0.05 0.00 -1.54 0.00 0.00 39.78 34.05 2x54 n ASN 71 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2x54 s GLU 72 N -5.97 3.55 -0.07 3.52 2.56 -1.11 -4.80 118.70 116.38 2x54 s GLU 72 Ca 0.41 0.14 -0.14 0.00 0.00 0.00 0.00 54.97 55.38 2x54 s GLU 72 Cb -0.19 -3.91 -0.05 0.00 2.00 0.00 0.00 34.13 31.98 2x54 s GLU 72 CO 0.51 -1.12 0.37 0.99 -0.56 0.00 0.00 175.26 175.45 2x54 s THR 73 N 3.51 5.17 -0.12 -1.70 2.01 -1.26 -1.35 115.64 121.91 2x54 s THR 73 Ca 0.34 0.73 0.02 0.00 0.31 0.00 0.00 61.69 63.09 2x54 s THR 73 Cb -0.11 -3.68 0.01 0.00 0.01 0.00 0.00 72.50 68.73 2x54 s THR 73 CO 0.23 0.49 -0.16 0.54 -0.69 0.00 0.00 174.62 175.03 2x54 s VAL 74 N -0.36 1.60 0.46 3.82 0.11 -0.46 -4.97 120.40 120.60 2x54 s VAL 74 Ca 0.21 -0.70 -0.24 0.00 -2.93 0.00 0.00 61.98 58.33 2x54 s VAL 74 Cb -0.15 -1.46 -0.07 0.00 -1.53 0.00 0.00 36.38 33.17 2x54 s VAL 74 CO 0.09 0.46 1.31 0.00 -3.33 0.00 0.00 175.10 173.64 2x54 s ALA 75 N 1.01 3.08 0.33 1.54 0.00 -1.26 -1.95 121.76 124.51 2x54 s ALA 75 Ca -0.05 1.24 0.10 0.00 0.00 0.00 0.00 51.96 53.24 2x54 s ALA 75 Cb -0.15 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.41 2x54 s ALA 75 CO -0.03 -1.00 -0.12 -0.51 0.00 0.00 0.00 175.76 174.10 2x54 s LEU 76 N -2.90 2.69 -0.13 0.00 1.43 0.38 -4.58 118.68 115.58 2x54 s LEU 76 Ca 0.63 -1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 52.44 2x54 s LEU 76 Cb -0.38 -1.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 2x54 s LEU 76 CO 0.47 -0.13 0.33 -0.75 0.23 0.00 0.00 176.35 176.49 2x54 s LYS 77 N -3.58 4.18 0.19 1.70 2.20 -1.26 -4.87 119.74 118.30 2x54 s LYS 77 Ca 0.32 0.18 -0.31 0.00 -0.36 0.00 0.00 55.97 55.80 2x54 s LYS 77 Cb 0.00 -3.39 -0.10 0.00 -1.51 0.00 0.00 37.83 32.84 2x54 s LYS 77 CO 0.16 0.32 1.46 0.20 -0.36 0.00 0.00 175.35 177.13 2x54 s GLY 78 N 0.20 2.02 -1.44 5.54 0.00 -1.26 -3.32 107.32 109.06 2x54 s GLY 78 Ca 0.19 1.28 -0.09 0.00 0.00 0.00 0.00 44.72 46.10 2x54 s GLY 78 CO 0.06 2.39 0.69 1.22 0.00 0.00 0.00 173.10 177.46 2x54 n ASP 79 N 3.18 -4.89 -4.23 1.64 8.00 0.14 -4.93 116.55 115.45 2x54 n ASP 79 Ca 0.10 -0.47 -0.13 0.00 0.71 0.00 0.00 54.79 55.00 2x54 n ASP 79 Cb 0.40 -3.96 -0.10 0.00 -0.02 0.00 0.00 41.12 37.45 2x54 n ASP 79 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2x54 s SER 80 N -2.89 1.62 -0.66 -2.24 0.01 -1.21 -4.93 113.70 103.40 2x54 s SER 80 Ca 0.45 -1.03 -0.19 0.00 1.31 0.00 0.00 55.95 56.49 2x54 s SER 80 Cb -0.22 0.02 0.11 0.00 0.21 0.00 0.00 66.02 66.13 2x54 s SER 80 CO 0.56 -0.38 0.81 -0.69 0.41 0.00 0.00 173.24 173.94 2x54 s VAL 81 N -3.41 4.75 -0.16 3.43 1.01 -1.26 -1.86 120.40 122.90 2x54 s VAL 81 Ca 0.16 -1.02 -0.24 0.00 0.00 0.00 0.00 61.98 60.89 2x54 s VAL 81 Cb 0.03 -4.56 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 2x54 s VAL 81 CO -0.00 -1.23 0.76 0.20 0.00 0.00 0.00 175.10 174.82 2x54 s ASN 82 N 3.56 6.89 -0.52 3.32 0.01 0.80 -4.70 114.94 124.30 2x54 s ASN 82 Ca 0.16 1.09 -0.16 0.00 -0.71 0.00 0.00 52.86 53.24 2x54 s ASN 82 Cb -0.20 -2.42 0.11 0.00 0.41 0.00 0.00 41.25 39.16 2x54 s ASN 82 CO 0.04 -0.32 0.47 -0.31 -1.51 0.00 0.00 177.10 175.48 2x54 s TYR 83 N 1.87 3.25 -0.16 2.20 2.02 0.42 -0.29 117.35 126.66 2x54 s TYR 83 Ca 0.36 -1.19 -0.29 0.00 -0.37 0.00 0.00 57.07 55.57 2x54 s TYR 83 Cb -0.17 -3.63 -0.01 0.00 -0.40 0.00 0.00 41.96 37.75 2x54 s TYR 83 CO 0.13 -0.96 1.19 0.42 -1.57 0.00 0.00 175.55 174.76 2x54 s ILE 84 N 1.61 4.39 0.06 2.71 -1.09 -0.21 -0.86 121.20 127.80 2x54 s ILE 84 Ca 0.03 1.68 0.06 0.00 -2.23 0.00 0.00 60.65 60.19 2x54 s ILE 84 Cb -0.28 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.48 2x54 s ILE 84 CO 0.04 -0.12 -0.11 -1.00 -1.23 0.00 0.00 174.94 172.52 2x54 s HIS 85 N 3.14 2.74 -0.35 3.97 3.76 0.67 -2.03 115.29 127.18 2x54 s HIS 85 Ca 0.52 -0.14 -0.12 0.00 -0.15 0.00 0.00 55.06 55.17 2x54 s HIS 85 Cb -0.21 -1.50 0.00 0.00 1.11 0.00 0.00 32.58 31.99 2x54 s HIS 85 CO 0.14 0.36 0.21 0.00 -0.85 0.00 0.00 174.74 174.61 2x54 s ALA 86 N -1.07 3.37 -0.27 -1.40 0.00 -0.46 -2.07 121.76 119.87 2x54 s ALA 86 Ca 0.18 -1.53 -0.08 0.00 0.00 0.00 0.00 51.96 50.53 2x54 s ALA 86 Cb -0.11 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 2x54 s ALA 86 CO 0.10 -1.15 0.09 -0.80 0.00 0.00 0.00 175.76 174.00 2x54 s ASN 87 N 1.64 5.26 -0.23 0.00 0.01 0.55 -2.82 114.94 119.34 2x54 s ASN 87 Ca 0.04 -0.30 -0.04 0.00 -0.71 0.00 0.00 52.86 51.86 2x54 s ASN 87 Cb -0.18 -1.95 -0.00 0.00 0.41 0.00 0.00 41.25 39.53 2x54 s ASN 87 CO 0.08 -0.08 -0.03 -0.63 -1.51 0.00 0.00 177.10 174.93 2x54 s ILE 88 N 1.61 3.39 -0.28 0.60 1.01 -0.30 -1.16 121.20 126.07 2x54 s ILE 88 Ca 0.06 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.15 2x54 s ILE 88 Cb -0.16 -2.58 0.09 0.00 0.01 0.00 0.00 42.46 39.82 2x54 s ILE 88 CO 0.04 0.37 0.04 -0.62 0.00 0.00 0.00 174.94 174.77 2x54 s ASP 89 N 1.47 4.02 0.53 3.58 2.15 -0.62 -1.36 116.67 126.44 2x54 s ASP 89 Ca 0.05 -1.53 0.25 0.00 0.43 0.00 0.00 52.55 51.75 2x54 s ASP 89 Cb -0.15 -1.07 1.48 0.00 -0.30 0.00 0.00 42.92 42.88 2x54 s ASP 89 CO -0.03 -0.35 2.12 -0.07 -0.17 0.00 0.00 175.17 176.67 2x54 h LEU 90 N 7.97 0.00 -1.10 -1.34 3.38 -1.84 -2.60 115.31 119.78 2x54 h LEU 90 Ca -0.13 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 2x54 h LEU 90 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2x54 h LEU 90 CO 0.45 0.09 -0.30 0.71 0.09 0.00 0.00 178.44 179.48 2x54 h THR 91 N 0.00 1.26 -0.47 0.22 1.35 -1.95 -3.31 112.91 110.00 2x54 h THR 91 Ca -0.00 -1.25 -0.69 0.00 -0.55 0.00 0.00 66.41 63.92 2x54 h THR 91 Cb 0.21 1.50 -0.06 0.00 -1.73 0.00 0.00 68.15 68.07 2x54 h THR 91 CO 0.01 0.38 2.60 0.00 -0.25 0.00 0.00 175.52 178.26 2x54 n GLN 92 N -4.12 3.02 0.07 4.72 1.13 -0.98 -4.81 117.38 116.40 2x54 n GLN 92 Ca -0.01 -2.96 0.10 0.00 -1.94 0.00 0.00 57.00 52.18 2x54 n GLN 92 Cb 0.40 -3.41 0.55 0.00 0.11 0.00 0.00 30.24 27.90 2x54 n GLN 92 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2x54 h THR 93 N 4.88 0.97 -0.03 5.09 1.03 -1.81 -2.28 112.91 120.76 2x54 h THR 93 Ca 0.50 -0.09 -0.02 0.00 -0.01 0.00 0.00 66.41 66.80 2x54 h THR 93 Cb 0.77 0.69 0.00 0.00 -1.07 0.00 0.00 68.15 68.54 2x54 h THR 93 CO 1.65 0.05 -0.05 0.00 -0.01 0.00 0.00 175.52 177.15 2x54 h ALA 94 N 1.82 0.04 -2.64 0.00 0.00 -1.93 -3.41 119.26 113.14 2x54 h ALA 94 Ca 0.14 -0.30 -0.59 0.00 0.00 0.00 0.00 54.91 54.16 2x54 h ALA 94 Cb 0.26 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 17.65 2x54 h ALA 94 CO -0.03 -0.14 -0.84 -0.80 0.00 0.00 0.00 179.25 177.45 2x54 s ASN 95 N -5.88 2.92 0.19 0.00 0.01 -1.14 -5.02 114.94 106.01 2x54 s ASN 95 Ca -0.16 -2.41 -0.03 0.00 -0.71 0.00 0.00 52.86 49.55 2x54 s ASN 95 Cb 0.02 -0.54 0.10 0.00 0.41 0.00 0.00 41.25 41.24 2x54 s ASN 95 CO 0.70 -0.28 1.50 -0.65 -1.51 0.00 0.00 177.10 176.86 2x54 h PRO 96 N 6.75 0.57 -5.63 -0.60 0.11 -1.62 -3.44 132.00 128.14 2x54 h PRO 96 Ca 0.08 -0.36 -0.58 0.00 0.11 0.00 0.00 66.00 65.24 2x54 h PRO 96 Cb 0.95 0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.01 2x54 h PRO 96 CO 0.32 0.97 -0.22 0.08 -0.21 0.00 0.00 178.00 178.94 2x54 s VAL 97 N -4.00 5.24 0.02 3.15 1.01 -1.26 -1.58 120.40 122.98 2x54 s VAL 97 Ca -0.07 0.77 0.01 0.00 0.00 0.00 0.00 61.98 62.69 2x54 s VAL 97 Cb 0.11 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 2x54 s VAL 97 CO 0.84 0.36 -0.04 -0.94 0.00 0.00 0.00 175.10 175.32 2x54 s SER 98 N 0.53 0.46 0.09 3.32 1.04 -0.31 -4.99 113.70 113.83 2x54 s SER 98 Ca 0.22 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.37 2x54 s SER 98 Cb -0.14 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.96 2x54 s SER 98 CO 0.07 -0.12 0.07 -0.76 0.98 0.00 0.00 173.24 173.48 2x54 s LEU 99 N -0.85 3.74 -0.17 2.42 1.43 -1.26 -0.33 118.68 123.66 2x54 s LEU 99 Ca -0.06 -0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 52.89 2x54 s LEU 99 Cb -0.06 -2.43 0.06 0.00 0.03 0.00 0.00 46.19 43.79 2x54 s LEU 99 CO -0.00 0.17 0.42 -0.94 0.23 0.00 0.00 176.35 176.23 2x54 s SER 100 N -2.42 -0.52 -0.28 2.29 1.04 -0.88 -4.98 113.70 107.95 2x54 s SER 100 Ca 0.29 0.91 -0.17 0.00 0.48 0.00 0.00 55.95 57.45 2x54 s SER 100 Cb -0.12 0.81 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 2x54 s SER 100 CO 0.21 -0.19 0.49 0.00 0.98 0.00 0.00 173.24 174.74 2x54 s ALA 101 N 1.21 3.56 0.35 5.32 0.00 -1.26 -0.24 121.76 130.70 2x54 s ALA 101 Ca -0.08 -0.73 0.09 0.00 0.00 0.00 0.00 51.96 51.24 2x54 s ALA 101 Cb -0.07 -2.88 -0.06 0.00 0.00 0.00 0.00 23.12 20.10 2x54 s ALA 101 CO -0.11 -0.83 -0.06 -1.21 0.00 0.00 0.00 175.76 173.56 2x54 s GLU 102 N 2.29 1.89 0.17 0.00 2.02 -0.04 -4.88 118.70 120.15 2x54 s GLU 102 Ca 0.19 -1.92 -0.11 0.00 0.02 0.00 0.00 54.97 53.16 2x54 s GLU 102 Cb -0.16 -1.75 0.05 0.00 0.10 0.00 0.00 34.13 32.37 2x54 s GLU 102 CO 0.10 0.11 1.64 1.79 0.02 0.00 0.00 175.26 178.93 2x54 h THR 103 N 1.94 1.26 -4.20 3.63 1.35 -1.85 0.12 112.91 115.16 2x54 h THR 103 Ca -0.42 -1.05 -0.27 0.00 -0.55 0.00 0.00 66.41 64.12 2x54 h THR 103 Cb 1.25 0.83 -0.15 0.00 -1.73 0.00 0.00 68.15 68.35 2x54 h THR 103 CO 0.71 0.38 -0.63 0.00 -0.25 0.00 0.00 175.52 175.73 2x54 s ALA 104 N -5.11 1.30 -0.86 6.62 0.00 -1.26 -4.72 121.76 117.73 2x54 s ALA 104 Ca -0.12 -1.69 -0.25 0.00 0.00 0.00 0.00 51.96 49.90 2x54 s ALA 104 Cb 0.13 1.07 -0.02 0.00 0.00 0.00 0.00 23.12 24.30 2x54 s ALA 104 CO 0.83 -0.49 1.77 1.21 0.00 0.00 0.00 175.76 179.08 2x54 s ASN 105 N -3.19 5.54 -0.53 0.00 3.84 -1.26 -4.77 114.94 114.57 2x54 s ASN 105 Ca 0.34 -0.64 -0.02 0.00 0.21 0.00 0.00 52.86 52.75 2x54 s ASN 105 Cb 0.07 -2.56 0.35 0.00 -0.55 0.00 0.00 41.25 38.56 2x54 s ASN 105 CO 0.09 -2.34 2.05 0.59 -2.79 0.00 0.00 177.10 174.71 2x54 n ASN 106 N 12.28 7.20 -4.67 -4.21 3.02 -1.26 -4.99 115.26 122.63 2x54 n ASN 106 Ca 0.32 -3.50 -0.42 0.00 -0.03 0.00 0.00 54.58 50.95 2x54 n ASN 106 Cb 0.49 -1.02 -0.03 0.00 -0.61 0.00 0.00 39.78 38.61 2x54 n ASN 106 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2x54 s SER 107 N -0.98 6.80 -0.17 6.41 0.01 -1.26 -4.73 113.70 119.78 2x54 s SER 107 Ca 0.51 2.06 -0.03 0.00 1.31 0.00 0.00 55.95 59.80 2x54 s SER 107 Cb 0.40 -2.54 -0.23 0.00 0.21 0.00 0.00 66.02 63.86 2x54 s SER 107 CO -0.02 -0.81 0.16 -0.46 0.41 0.00 0.00 173.24 172.51 2x54 n ASN 108 N 6.36 2.00 -0.90 2.44 0.23 -0.87 -4.99 115.26 119.53 2x54 n ASN 108 Ca 0.15 0.09 -0.05 0.00 -0.53 0.00 0.00 54.58 54.24 2x54 n ASN 108 Cb 0.44 -0.64 0.01 0.00 -2.08 0.00 0.00 39.78 37.50 2x54 n ASN 108 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2x54 n GLY 109 N 2.07 0.47 3.70 4.83 0.00 -1.25 -5.01 105.19 110.00 2x54 n GLY 109 Ca -0.36 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 2x54 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x54 s VAL 110 N -2.75 3.47 -1.11 1.61 1.01 -1.26 -4.79 120.40 116.58 2x54 s VAL 110 Ca 0.08 0.95 -0.22 0.00 0.00 0.00 0.00 61.98 62.79 2x54 s VAL 110 Cb -0.03 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.75 2x54 s VAL 110 CO 0.09 0.03 1.69 -0.62 0.00 0.00 0.00 175.10 176.29 2x54 s ASP 111 N 1.66 6.18 0.28 3.32 -1.08 -1.26 -4.72 116.67 121.05 2x54 s ASP 111 Ca 0.65 -1.67 0.10 0.00 -0.52 0.00 0.00 52.55 51.11 2x54 s ASP 111 Cb -0.35 -2.57 0.38 0.00 -1.46 0.00 0.00 42.92 38.92 2x54 s ASP 111 CO 0.29 -1.83 1.63 0.16 0.52 0.00 0.00 175.17 175.93 2x54 h ILE 112 N 6.40 1.42 -0.21 4.11 3.07 -1.83 -1.15 117.51 129.32 2x54 h ILE 112 Ca 0.26 -2.02 -0.18 0.00 1.55 0.00 0.00 64.86 64.48 2x54 h ILE 112 Cb 0.95 2.08 -0.00 0.00 -0.27 0.00 0.00 36.82 39.58 2x54 h ILE 112 CO 1.37 0.58 -0.61 0.78 -1.05 0.00 0.00 178.15 179.23 2x54 h ASN 113 N 0.03 0.81 0.04 2.16 2.35 -1.90 -3.37 115.58 115.70 2x54 h ASN 113 Ca -0.01 -0.46 -0.38 0.00 -0.55 0.00 0.00 56.30 54.91 2x54 h ASN 113 Cb 1.05 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 39.14 2x54 h ASN 113 CO 0.08 1.22 -2.22 0.59 -1.65 0.00 0.00 177.43 175.45 2x54 n ASN 114 N -3.96 2.02 -0.79 5.81 3.02 -1.24 -4.86 115.26 115.26 2x54 n ASN 114 Ca -0.04 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 2x54 n ASN 114 Cb 0.65 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2x54 n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x54 n GLY 115 N 1.99 5.97 4.03 7.41 0.00 -0.43 -5.15 105.19 119.01 2x54 n GLY 115 Ca -0.41 -2.10 -0.20 0.00 0.00 0.00 0.00 46.02 43.31 2x54 n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x54 s SER 116 N 0.09 4.93 0.00 1.61 0.01 -1.26 -4.35 113.70 114.74 2x54 s SER 116 Ca 0.00 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.42 2x54 s SER 116 Cb 0.00 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.61 2x54 s SER 116 CO 0.00 -1.48 0.00 0.61 0.41 0.00 0.00 173.24 172.78 2x54 n GLY 117 N -2.37 1.05 3.41 3.44 0.00 -1.26 -4.66 105.19 104.80 2x54 n GLY 117 Ca 0.17 -2.21 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 2x54 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x54 s VAL 118 N -1.26 3.86 -0.16 1.61 1.01 -1.26 -4.61 120.40 119.59 2x54 s VAL 118 Ca 0.00 -0.34 -0.21 0.00 0.00 0.00 0.00 61.98 61.43 2x54 s VAL 118 Cb 0.00 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 2x54 s VAL 118 CO 0.00 0.41 0.65 -0.22 0.00 0.00 0.00 175.10 175.93 2x54 s LEU 119 N 1.27 4.19 -0.09 3.92 2.96 -0.46 -4.72 118.68 125.74 2x54 s LEU 119 Ca 0.04 0.93 0.03 0.00 -0.22 0.00 0.00 54.13 54.91 2x54 s LEU 119 Cb -0.15 -2.94 -0.01 0.00 0.50 0.00 0.00 46.19 43.60 2x54 s LEU 119 CO 0.01 -0.23 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.07 2x54 s LYS 120 N 1.59 2.97 -0.22 1.98 1.02 -1.26 -1.14 119.74 124.67 2x54 s LYS 120 Ca 0.31 -0.81 -0.08 0.00 0.02 0.00 0.00 55.97 55.41 2x54 s LYS 120 Cb -0.16 -2.37 0.09 0.00 -0.52 0.00 0.00 37.83 34.87 2x54 s LYS 120 CO 0.12 0.29 0.47 0.54 -0.92 0.00 0.00 175.35 175.85 2x54 s VAL 121 N 0.10 -0.60 0.22 3.17 0.11 -1.13 -2.04 120.40 120.23 2x54 s VAL 121 Ca -0.09 0.12 -0.30 0.00 -2.93 0.00 0.00 61.98 58.78 2x54 s VAL 121 Cb -0.15 -0.74 -0.08 0.00 -1.53 0.00 0.00 36.38 33.87 2x54 s VAL 121 CO 0.06 0.05 1.04 0.00 -3.33 0.00 0.00 175.10 172.91 2x54 n PHE 123 N 1.84 0.00 -4.16 0.00 1.16 -0.86 -4.82 117.46 110.61 2x54 n PHE 123 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.43 2x54 n PHE 123 Cb 0.46 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.20 2x54 n PHE 123 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2x54 s ASP 124 N -2.27 0.74 -0.30 5.98 2.15 -1.24 -0.20 116.67 121.53 2x54 s ASP 124 Ca 0.00 -0.21 0.01 0.00 0.43 0.00 0.00 52.55 52.78 2x54 s ASP 124 Cb 0.00 -0.05 0.07 0.00 -0.30 0.00 0.00 42.92 42.64 2x54 s ASP 124 CO 0.00 0.01 -0.02 -0.63 -0.17 0.00 0.00 175.17 174.36 2x54 s ILE 125 N -0.44 2.53 -0.35 4.11 1.01 -0.07 -1.05 121.20 126.95 2x54 s ILE 125 Ca -0.01 -1.73 -0.11 0.00 0.00 0.00 0.00 60.65 58.81 2x54 s ILE 125 Cb -0.04 -2.57 0.01 0.00 0.01 0.00 0.00 42.46 39.87 2x54 s ILE 125 CO -0.00 -0.21 0.19 -0.69 0.00 0.00 0.00 174.94 174.23 2x54 s VAL 126 N 1.11 4.68 -0.21 2.92 1.01 0.60 -1.02 120.40 129.50 2x54 s VAL 126 Ca -0.03 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 2x54 s VAL 126 Cb -0.20 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2x54 s VAL 126 CO -0.04 -0.09 0.47 -0.89 0.00 0.00 0.00 175.10 174.55 2x54 s THR 127 N 1.60 5.14 0.37 3.92 2.01 0.36 -0.14 115.64 128.91 2x54 s THR 127 Ca 0.04 0.84 0.08 0.00 0.31 0.00 0.00 61.69 62.96 2x54 s THR 127 Cb -0.18 -3.79 -0.06 0.00 0.01 0.00 0.00 72.50 68.47 2x54 s THR 127 CO 0.07 0.20 -0.00 0.42 -0.69 0.00 0.00 174.62 174.62 2x54 s THR 128 N 1.57 2.30 0.00 -0.82 -4.23 -0.77 -0.95 115.64 112.73 2x54 s THR 128 Ca 0.22 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 2x54 s THR 128 Cb -0.15 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 70.86 2x54 s THR 128 CO 0.09 -0.12 0.00 -1.54 -0.54 0.00 0.00 174.62 172.51 2x54 n SER 129 N -0.94 1.52 0.08 3.99 3.41 0.67 -3.60 113.62 118.74 2x54 n SER 129 Ca -0.04 -0.15 -0.09 0.00 -0.26 0.00 0.00 58.87 58.33 2x54 n SER 129 Cb 0.64 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.58 2x54 n SER 129 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2x54 h GLY 130 N 0.00 0.23 0.00 5.00 0.00 -1.96 0.42 103.07 106.77 2x54 h GLY 130 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 2x54 h GLY 130 CO 0.00 0.37 -0.78 -1.30 0.00 0.00 0.00 176.54 174.82 2x54 n THR 131 N -3.67 1.46 -1.55 4.70 -2.24 -1.26 -4.87 114.28 106.84 2x54 n THR 131 Ca -0.04 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2x54 n THR 131 Cb 0.80 -2.35 0.00 0.00 -2.10 0.00 0.00 70.33 66.68 2x54 n THR 131 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x54 n GLY 132 N 1.54 5.49 3.79 3.38 0.00 -1.26 -3.39 105.19 114.74 2x54 n GLY 132 Ca -0.12 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 2x54 n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x54 s VAL 133 N 1.21 5.17 -0.24 1.61 1.01 -1.25 -0.24 120.40 127.66 2x54 s VAL 133 Ca 0.00 0.75 -0.16 0.00 0.00 0.00 0.00 61.98 62.57 2x54 s VAL 133 Cb 0.00 -3.69 -0.12 0.00 0.00 0.00 0.00 36.38 32.56 2x54 s VAL 133 CO 0.00 0.48 -0.21 0.35 0.00 0.00 0.00 175.10 175.72 2x54 n THR 134 N 2.69 1.52 -3.79 3.92 -2.24 -0.13 -4.86 114.28 111.39 2x54 n THR 134 Ca -0.12 -0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.34 2x54 n THR 134 Cb 0.52 -2.01 -0.08 0.00 -2.10 0.00 0.00 70.33 66.66 2x54 n THR 134 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2x54 s SER 135 N -7.04 -0.11 -0.08 3.42 1.04 -1.02 -5.04 113.70 104.88 2x54 s SER 135 Ca -0.34 -0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.01 2x54 s SER 135 Cb 0.11 0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.55 2x54 s SER 135 CO 0.49 -0.49 -0.08 -0.89 0.98 0.00 0.00 173.24 173.25 2x54 s THR 136 N -1.81 0.92 -0.17 2.02 2.01 -1.26 -0.48 115.64 116.87 2x54 s THR 136 Ca -0.11 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.60 2x54 s THR 136 Cb -0.04 -0.91 0.04 0.00 0.01 0.00 0.00 72.50 71.60 2x54 s THR 136 CO 0.01 0.33 -0.09 -0.75 -0.69 0.00 0.00 174.62 173.42 2x54 s LYS 137 N 1.16 1.84 0.48 4.92 2.20 -0.18 -5.00 119.74 125.16 2x54 s LYS 137 Ca -0.06 -0.64 -0.18 0.00 -0.36 0.00 0.00 55.97 54.74 2x54 s LYS 137 Cb -0.14 -2.16 -0.09 0.00 -1.51 0.00 0.00 37.83 33.93 2x54 s LYS 137 CO -0.02 -0.38 0.97 -1.25 -0.36 0.00 0.00 175.35 174.30 2x54 s PRO 138 N 1.52 4.03 0.36 4.03 0.05 -1.26 -0.89 135.00 142.83 2x54 s PRO 138 Ca 0.01 0.99 -0.27 0.00 0.05 0.00 0.00 61.00 61.77 2x54 s PRO 138 Cb -0.15 -2.16 -0.09 0.00 0.05 0.00 0.00 34.50 32.15 2x54 s PRO 138 CO -0.08 -0.19 1.23 0.42 0.05 0.00 0.00 177.00 178.43 2x54 s ILE 139 N -2.48 2.95 0.46 0.56 -1.09 0.72 -4.88 121.20 117.44 2x54 s ILE 139 Ca 0.60 0.89 -0.24 0.00 -2.23 0.00 0.00 60.65 59.66 2x54 s ILE 139 Cb -0.10 -3.54 -0.07 0.00 -1.58 0.00 0.00 42.46 37.17 2x54 s ILE 139 CO 0.26 0.16 1.30 0.54 -1.23 0.00 0.00 174.94 175.96 2x54 s VAL 140 N -1.26 2.54 -0.78 2.92 0.11 -1.26 -4.95 120.40 117.72 2x54 s VAL 140 Ca 0.52 0.44 -0.09 0.00 -2.93 0.00 0.00 61.98 59.93 2x54 s VAL 140 Cb -0.35 -3.24 0.20 0.00 -1.53 0.00 0.00 36.38 31.46 2x54 s VAL 140 CO 0.46 0.03 0.68 -1.10 -3.33 0.00 0.00 175.10 171.84 2x54 s GLN 141 N -2.53 3.26 -0.33 1.54 -0.21 -1.26 -4.65 119.66 115.48 2x54 s GLN 141 Ca 0.63 -2.61 -0.29 0.00 0.02 0.00 0.00 55.36 53.11 2x54 s GLN 141 Cb -0.37 -4.16 0.01 0.00 1.00 0.00 0.00 33.01 29.49 2x54 s GLN 141 CO 0.46 -1.24 1.27 0.99 -2.12 0.00 0.00 175.29 174.65 2x54 s THR 142 N -0.15 4.16 -0.74 -0.19 2.01 -1.26 -4.99 115.64 114.48 2x54 s THR 142 Ca 0.19 1.29 -0.16 0.00 0.31 0.00 0.00 61.69 63.32 2x54 s THR 142 Cb -0.13 -4.23 0.17 0.00 0.01 0.00 0.00 72.50 68.31 2x54 s THR 142 CO -0.07 -0.56 0.76 -0.44 -0.69 0.00 0.00 174.62 173.61 2x54 s SER 143 N 2.78 6.52 -0.27 3.53 0.01 -1.26 -4.60 113.70 120.40 2x54 s SER 143 Ca 0.55 -2.17 -0.29 0.00 1.31 0.00 0.00 55.95 55.34 2x54 s SER 143 Cb -0.15 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.83 2x54 s SER 143 CO 0.24 -0.81 1.24 -0.89 0.41 0.00 0.00 173.24 173.43 2x54 s THR 144 N 1.32 4.27 0.16 1.44 2.01 0.53 -5.02 115.64 120.36 2x54 s THR 144 Ca 0.16 1.47 0.06 0.00 0.31 0.00 0.00 61.69 63.70 2x54 s THR 144 Cb -0.16 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 2x54 s THR 144 CO -0.04 -0.38 -0.14 -0.76 -0.69 0.00 0.00 174.62 172.62 2x54 s LEU 145 N 3.97 2.49 -0.15 4.42 1.43 -1.26 -4.56 118.68 125.02 2x54 s LEU 145 Ca 0.53 -0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 2x54 s LEU 145 Cb -0.17 -0.57 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 2x54 s LEU 145 CO 0.19 -0.19 -0.22 -0.67 0.23 0.00 0.00 176.35 175.69 2x54 n ASP 146 N 0.02 1.82 -3.89 2.29 -0.08 -1.26 -5.02 116.55 110.43 2x54 n ASP 146 Ca -0.11 0.55 -0.15 0.00 -1.51 0.00 0.00 54.79 53.57 2x54 n ASP 146 Cb 0.59 -0.83 -0.15 0.00 2.34 0.00 0.00 41.12 43.07 2x54 n ASP 146 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2x54 s SER 147 N -5.75 0.35 -0.11 1.67 0.15 -1.26 -5.16 113.70 103.60 2x54 s SER 147 Ca -0.18 -0.04 0.03 0.00 0.70 0.00 0.00 55.95 56.45 2x54 s SER 147 Cb 0.03 -0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.24 2x54 s SER 147 CO 0.27 -0.00 -0.20 -0.63 1.20 0.00 0.00 173.24 173.88 2x54 s ILE 148 N 0.22 2.44 -0.74 6.45 1.01 -1.26 -5.07 121.20 124.25 2x54 s ILE 148 Ca -0.02 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.78 2x54 s ILE 148 Cb -0.04 -1.97 0.18 0.00 0.01 0.00 0.00 42.46 40.64 2x54 s ILE 148 CO -0.01 0.55 0.54 -0.44 0.00 0.00 0.00 174.94 175.59 2x54 s SER 149 N 0.30 5.03 0.20 3.58 0.01 -1.26 -5.10 113.70 116.46 2x54 s SER 149 Ca -0.15 -3.84 0.06 0.00 1.31 0.00 0.00 55.95 53.34 2x54 s SER 149 Cb -0.17 -1.69 -0.04 0.00 0.21 0.00 0.00 66.02 64.34 2x54 s SER 149 CO 0.07 -0.10 0.12 0.54 0.41 0.00 0.00 173.24 174.28 2x54 s VAL 150 N -1.44 4.27 -0.18 3.43 0.11 -1.26 -5.07 120.40 120.26 2x54 s VAL 150 Ca 0.25 -1.29 -0.14 0.00 -2.93 0.00 0.00 61.98 57.87 2x54 s VAL 150 Cb -0.05 -3.22 -0.07 0.00 -1.53 0.00 0.00 36.38 31.51 2x54 s VAL 150 CO -0.16 -0.19 -0.20 0.59 -3.33 0.00 0.00 175.10 171.81 2x54 n ASN 151 N -0.58 1.87 -4.27 3.54 3.02 -1.26 -5.05 115.26 112.54 2x54 n ASN 151 Ca -0.08 0.48 -0.17 0.00 -0.03 0.00 0.00 54.58 54.77 2x54 n ASN 151 Cb 0.56 -0.84 -0.10 0.00 -0.61 0.00 0.00 39.78 38.79 2x54 n ASN 151 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2x54 s ASP 152 N -6.16 2.10 -0.08 6.41 1.01 -1.26 -5.17 116.67 113.52 2x54 s ASP 152 Ca -0.24 -0.93 -0.12 0.00 0.71 0.00 0.00 52.55 51.97 2x54 s ASP 152 Cb 0.05 -0.07 0.03 0.00 1.01 0.00 0.00 42.92 43.93 2x54 s ASP 152 CO 0.37 -0.21 0.30 -0.32 0.21 0.00 0.00 175.17 175.53 2x54 s MET 153 N -3.27 0.46 -0.13 8.23 -2.45 -1.26 -5.15 119.30 115.73 2x54 s MET 153 Ca 0.15 0.21 -0.01 0.00 -1.25 0.00 0.00 55.69 54.80 2x54 s MET 153 Cb -0.01 0.21 0.03 0.00 1.25 0.00 0.00 34.83 36.31 2x54 s MET 153 CO 0.03 -0.09 -0.05 0.99 1.05 0.00 0.00 175.02 176.95 2x54 s THR 154 N -0.34 0.94 -0.14 10.11 2.01 -1.26 -5.14 115.64 121.81 2x54 s THR 154 Ca -0.05 -0.34 -0.03 0.00 0.31 0.00 0.00 61.69 61.58 2x54 s THR 154 Cb -0.03 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 2x54 s THR 154 CO 0.02 0.26 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.48 2x54 s VAL 155 N 1.73 3.96 -0.29 3.82 1.01 -1.26 -5.02 120.40 124.36 2x54 s VAL 155 Ca 0.03 -0.34 0.22 0.00 0.00 0.00 0.00 61.98 61.89 2x54 s VAL 155 Cb -0.13 -2.72 -0.23 0.00 0.00 0.00 0.00 36.38 33.30 2x54 s VAL 155 CO -0.08 0.52 0.72 -1.54 0.00 0.00 0.00 175.10 174.72 2x54 n SER 156 N 3.23 0.37 0.00 3.32 3.41 -1.26 -4.93 113.62 117.77 2x54 n SER 156 Ca -0.18 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 2x54 n SER 156 Cb 0.53 1.40 0.00 0.00 -0.26 0.00 0.00 64.21 65.88 2x54 n SER 156 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x54 n GLY 157 N 1.30 0.92 3.30 5.00 0.00 -1.26 -5.17 105.19 109.27 2x54 n GLY 157 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2x54 n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x54 s SER 158 N 0.52 -0.23 -0.19 1.61 0.01 -1.26 -5.16 113.70 109.00 2x54 s SER 158 Ca 0.00 -0.06 -0.04 0.00 1.31 0.00 0.00 55.95 57.15 2x54 s SER 158 Cb 0.00 0.40 -0.02 0.00 0.21 0.00 0.00 66.02 66.61 2x54 s SER 158 CO 0.00 -0.64 -0.02 -0.63 0.41 0.00 0.00 173.24 172.36 2x54 s ILE 159 N -2.48 3.80 -0.33 1.44 1.01 -1.26 -5.10 121.20 118.29 2x54 s ILE 159 Ca -0.05 -0.37 -0.20 0.00 0.00 0.00 0.00 60.65 60.03 2x54 s ILE 159 Cb -0.01 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 2x54 s ILE 159 CO -0.03 0.44 0.59 -0.62 0.00 0.00 0.00 174.94 175.33 2x54 s ASP 160 N 0.94 6.42 0.10 3.58 -1.08 -1.26 -5.07 116.67 120.30 2x54 s ASP 160 Ca 0.01 0.24 0.06 0.00 -0.52 0.00 0.00 52.55 52.33 2x54 s ASP 160 Cb -0.14 -2.31 -0.04 0.00 -1.46 0.00 0.00 42.92 38.97 2x54 s ASP 160 CO 0.01 -0.50 -0.04 0.68 0.52 0.00 0.00 175.17 175.85 2x54 s VAL 161 N 2.57 3.76 -0.04 1.11 -7.23 -1.26 -5.08 120.40 114.22 2x54 s VAL 161 Ca 0.23 -1.12 -0.30 0.00 -1.81 0.00 0.00 61.98 58.98 2x54 s VAL 161 Cb -0.15 -2.79 -0.07 0.00 0.56 0.00 0.00 36.38 33.94 2x54 s VAL 161 CO 0.13 0.10 1.85 -2.84 -0.31 0.00 0.00 175.10 174.03 2x54 s PRO 162 N -2.32 4.03 -0.20 4.82 0.02 -1.26 -4.67 135.00 135.42 2x54 s PRO 162 Ca 0.24 2.32 -0.08 0.00 0.02 0.00 0.00 61.00 63.50 2x54 s PRO 162 Cb -0.11 -4.11 -0.04 0.00 0.02 0.00 0.00 34.50 30.26 2x54 s PRO 162 CO 0.17 -1.06 0.08 0.08 -0.33 0.00 0.00 177.00 175.93 2x54 s VAL 163 N 4.75 4.78 -0.07 3.83 1.01 -1.26 -1.24 120.40 132.20 2x54 s VAL 163 Ca 0.83 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.81 2x54 s VAL 163 Cb -0.37 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 32.84 2x54 s VAL 163 CO 0.36 0.43 -0.18 -1.10 0.00 0.00 0.00 175.10 174.60 2x54 s GLN 164 N 0.65 2.21 0.03 2.72 1.11 0.72 -4.99 119.66 122.11 2x54 s GLN 164 Ca 0.04 -0.65 0.09 0.00 0.01 0.00 0.00 55.36 54.84 2x54 s GLN 164 Cb -0.13 -1.79 -0.03 0.00 -1.01 0.00 0.00 33.01 30.06 2x54 s GLN 164 CO 0.01 0.16 -0.25 0.95 0.01 0.00 0.00 175.29 176.18 2x54 s THR 165 N 0.33 2.25 -0.11 -0.19 -4.23 -1.26 -0.32 115.64 112.12 2x54 s THR 165 Ca -0.12 -1.30 -0.09 0.00 -1.18 0.00 0.00 61.69 59.00 2x54 s THR 165 Cb -0.15 -1.88 0.03 0.00 1.34 0.00 0.00 72.50 71.84 2x54 s THR 165 CO 0.05 0.40 0.27 -0.22 -0.54 0.00 0.00 174.62 174.58 2x54 s LEU 166 N -1.17 0.80 -0.31 4.79 2.96 -0.84 -5.03 118.68 119.89 2x54 s LEU 166 Ca 0.12 0.56 0.01 0.00 -0.22 0.00 0.00 54.13 54.60 2x54 s LEU 166 Cb -0.10 0.92 0.07 0.00 0.50 0.00 0.00 46.19 47.58 2x54 s LEU 166 CO 0.02 -0.11 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.04 2x54 s THR 167 N 0.42 2.54 -0.23 3.68 2.01 -1.26 -0.78 115.64 122.02 2x54 s THR 167 Ca -0.02 -1.80 -0.09 0.00 0.31 0.00 0.00 61.69 60.09 2x54 s THR 167 Cb -0.04 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 2x54 s THR 167 CO -0.02 -0.27 0.13 -0.69 -0.69 0.00 0.00 174.62 173.08 2x54 s VAL 168 N 1.10 5.06 -1.16 3.82 1.01 -0.52 -4.95 120.40 124.75 2x54 s VAL 168 Ca -0.01 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 2x54 s VAL 168 Cb -0.20 -3.35 0.16 0.00 0.00 0.00 0.00 36.38 33.00 2x54 s VAL 168 CO -0.05 0.36 1.38 -1.61 0.00 0.00 0.00 175.10 175.18 2x54 s GLU 169 N 1.04 4.01 0.38 2.72 0.41 -1.26 -1.09 118.70 124.90 2x54 s GLU 169 Ca 0.06 -2.44 0.17 0.00 -0.41 0.00 0.00 54.97 52.35 2x54 s GLU 169 Cb -0.14 -5.03 1.08 0.00 -1.78 0.00 0.00 34.13 28.26 2x54 s GLU 169 CO 0.04 -1.76 1.75 0.00 -0.49 0.00 0.00 175.26 174.79 2x54 h ALA 170 N 7.44 2.17 0.00 5.21 0.00 -1.57 -0.46 119.26 132.05 2x54 h ALA 170 Ca 0.29 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2x54 h ALA 170 Cb 0.90 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2x54 h ALA 170 CO 1.22 -0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.26 2x54 n GLY 171 N -1.44 1.94 3.99 0.00 0.00 -1.22 -1.58 105.19 106.87 2x54 n GLY 171 Ca 0.27 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.16 2x54 n GLY 171 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2x54 n ASN 172 N 0.00 0.00 0.00 1.61 4.13 -1.26 -1.60 115.26 118.14 2x54 n ASN 172 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2x54 n ASN 172 Cb 0.00 -2.39 0.00 0.00 -1.54 0.00 0.00 39.78 35.85 2x54 n ASN 172 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2x54 n GLY 173 N -2.00 1.78 3.61 7.41 0.00 -1.26 -0.13 105.19 114.60 2x54 n GLY 173 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2x54 n GLY 173 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2x54 s LEU 174 N 0.00 3.33 -0.06 0.99 2.96 -0.62 -0.86 118.68 124.41 2x54 s LEU 174 Ca 0.00 0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 2x54 s LEU 174 Cb 0.00 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 44.95 2x54 s LEU 174 CO 0.00 0.35 -0.16 -1.58 -1.32 0.00 0.00 176.35 173.64 2x54 s GLN 175 N -0.73 1.84 -0.17 1.98 0.74 0.34 -2.01 119.66 121.65 2x54 s GLN 175 Ca 0.11 -0.55 0.01 0.00 0.05 0.00 0.00 55.36 54.98 2x54 s GLN 175 Cb -0.11 -1.54 0.02 0.00 1.10 0.00 0.00 33.01 32.48 2x54 s GLN 175 CO 0.02 0.15 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.22 2x54 s LEU 176 N 0.31 2.05 -0.53 3.68 1.43 -0.25 -1.06 118.68 124.30 2x54 s LEU 176 Ca -0.09 -0.64 -0.13 0.00 -1.03 0.00 0.00 54.13 52.23 2x54 s LEU 176 Cb -0.14 -1.38 0.13 0.00 0.03 0.00 0.00 46.19 44.84 2x54 s LEU 176 CO 0.03 -0.03 0.46 -1.58 0.23 0.00 0.00 176.35 175.46 2x54 s GLN 177 N 1.35 2.84 -0.02 1.70 -0.44 -0.37 -1.44 119.66 123.28 2x54 s GLN 177 Ca 0.04 -1.78 -0.16 0.00 -2.50 0.00 0.00 55.36 50.95 2x54 s GLN 177 Cb -0.13 -4.17 -0.05 0.00 -1.64 0.00 0.00 33.01 27.01 2x54 s GLN 177 CO -0.12 -1.28 0.45 -0.51 0.50 0.00 0.00 175.29 174.33 2x54 s LEU 178 N 1.41 4.43 -0.29 3.68 1.02 0.04 -1.07 118.68 127.91 2x54 s LEU 178 Ca 0.05 0.97 -0.01 0.00 0.02 0.00 0.00 54.13 55.16 2x54 s LEU 178 Cb -0.27 -2.66 0.09 0.00 0.02 0.00 0.00 46.19 43.36 2x54 s LEU 178 CO 0.01 0.23 0.07 -0.89 0.02 0.00 0.00 176.35 175.79 2x54 s THR 179 N -0.62 0.92 -0.23 5.49 2.01 -1.03 -1.98 115.64 120.21 2x54 s THR 179 Ca 0.25 -1.29 -0.13 0.00 0.31 0.00 0.00 61.69 60.83 2x54 s THR 179 Cb -0.17 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 2x54 s THR 179 CO 0.13 -0.55 0.28 -0.75 -0.69 0.00 0.00 174.62 173.04 2x54 s LYS 180 N 1.61 4.11 -0.08 4.92 2.20 0.57 -2.38 119.74 130.69 2x54 s LYS 180 Ca 0.07 -0.05 0.04 0.00 -0.36 0.00 0.00 55.97 55.67 2x54 s LYS 180 Cb -0.17 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 2x54 s LYS 180 CO -0.20 -0.01 -0.21 0.15 -0.36 0.00 0.00 175.35 174.72 2x54 s LYS 181 N 1.26 2.50 -1.62 4.03 1.02 -0.53 -0.20 119.74 126.20 2x54 s LYS 181 Ca 0.13 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.38 2x54 s LYS 181 Cb -0.14 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 2x54 s LYS 181 CO 0.06 0.19 0.00 -1.71 -0.92 0.00 0.00 175.35 172.97 2x54 n ASN 182 N 3.44 -5.04 -2.11 2.83 5.15 -0.37 -2.68 115.26 116.48 2x54 n ASN 182 Ca -0.19 0.38 -0.20 0.00 -0.60 0.00 0.00 54.58 53.96 2x54 n ASN 182 Cb 0.53 -3.88 -0.03 0.00 -0.53 0.00 0.00 39.78 35.86 2x54 n ASN 182 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2x54 n ASN 183 N -0.70 -5.70 0.00 1.20 3.02 -1.26 -4.84 115.26 106.98 2x54 n ASN 183 Ca -0.15 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 2x54 n ASN 183 Cb 0.53 -4.79 0.00 0.00 -0.61 0.00 0.00 39.78 34.91 2x54 n ASN 183 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2x54 n ASP 184 N -1.72 0.00 -4.70 6.41 2.03 -1.09 -4.67 116.55 112.81 2x54 n ASP 184 Ca -0.23 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.66 2x54 n ASP 184 Cb 0.68 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.05 2x54 n ASP 184 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2x54 s LEU 185 N -4.92 4.33 -0.08 -2.67 2.96 -1.15 -1.18 118.68 115.97 2x54 s LEU 185 Ca 0.00 1.65 0.01 0.00 -0.22 0.00 0.00 54.13 55.57 2x54 s LEU 185 Cb 0.00 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.14 2x54 s LEU 185 CO 0.00 -0.35 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.90 2x54 s VAL 186 N 1.39 1.02 -0.28 1.68 1.01 -0.57 -1.45 120.40 123.21 2x54 s VAL 186 Ca 0.51 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.06 2x54 s VAL 186 Cb -0.21 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.19 2x54 s VAL 186 CO 0.25 0.34 0.07 -0.63 0.00 0.00 0.00 175.10 175.13 2x54 s ILE 187 N 1.08 3.98 -0.19 2.22 1.01 -1.00 -1.67 121.20 126.63 2x54 s ILE 187 Ca -0.07 -0.57 -0.11 0.00 0.00 0.00 0.00 60.65 59.90 2x54 s ILE 187 Cb -0.14 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.28 2x54 s ILE 187 CO -0.01 0.16 0.17 -0.69 0.00 0.00 0.00 174.94 174.57 2x54 s VAL 188 N 1.52 5.38 -0.17 2.92 1.01 0.11 -2.45 120.40 128.72 2x54 s VAL 188 Ca 0.04 0.28 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 2x54 s VAL 188 Cb -0.16 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2x54 s VAL 188 CO 0.02 0.42 0.01 -0.13 0.00 0.00 0.00 175.10 175.42 2x54 s ARG 189 N 0.43 3.78 -0.03 2.72 0.52 -0.23 -1.31 118.95 124.83 2x54 s ARG 189 Ca 0.10 -0.45 -0.24 0.00 -0.52 0.00 0.00 55.73 54.62 2x54 s ARG 189 Cb -0.12 -3.05 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 2x54 s ARG 189 CO -0.00 0.22 0.71 -0.06 0.02 0.00 0.00 175.30 176.19 2x54 s PHE 190 N 0.46 3.64 0.05 -0.53 0.08 -0.01 -1.23 117.98 120.44 2x54 s PHE 190 Ca -0.01 1.32 -0.03 0.00 0.12 0.00 0.00 56.93 58.33 2x54 s PHE 190 Cb -0.14 -2.79 -0.03 0.00 -0.57 0.00 0.00 43.02 39.49 2x54 s PHE 190 CO 0.02 0.17 0.04 -0.06 -0.10 0.00 0.00 175.22 175.28 2x54 s PHE 191 N 0.45 0.37 0.00 0.36 0.08 -0.23 -3.97 117.98 115.04 2x54 s PHE 191 Ca 0.37 -0.84 0.00 0.00 0.12 0.00 0.00 56.93 56.59 2x54 s PHE 191 Cb -0.19 -0.27 0.00 0.00 -0.57 0.00 0.00 43.02 42.00 2x54 s PHE 191 CO 0.20 -0.40 0.00 0.41 -0.10 0.00 0.00 175.22 175.33 2x54 n GLY 192 N 0.29 -1.80 2.66 4.36 0.00 -1.25 -0.51 105.19 108.94 2x54 n GLY 192 Ca -0.16 -1.85 -0.28 0.00 0.00 0.00 0.00 46.02 43.73 2x54 n GLY 192 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x54 s SER 193 N -4.00 2.97 0.16 1.61 0.01 -0.04 -0.71 113.70 113.71 2x54 s SER 193 Ca 0.00 -0.93 -0.30 0.00 1.31 0.00 0.00 55.95 56.03 2x54 s SER 193 Cb 0.00 -0.47 -0.07 0.00 0.21 0.00 0.00 66.02 65.69 2x54 s SER 193 CO 0.00 -0.36 1.15 -0.69 0.41 0.00 0.00 173.24 173.76 2x54 s VAL 194 N 1.96 3.78 -0.05 3.43 1.01 -1.00 -4.33 120.40 125.21 2x54 s VAL 194 Ca 0.03 1.47 -0.08 0.00 0.00 0.00 0.00 61.98 63.40 2x54 s VAL 194 Cb -0.17 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.29 2x54 s VAL 194 CO -0.15 0.22 0.19 -0.94 0.00 0.00 0.00 175.10 174.42 2x54 s SER 195 N 0.18 -0.13 -0.61 3.32 1.04 0.82 -2.53 113.70 115.78 2x54 s SER 195 Ca 0.52 0.18 -0.07 0.00 0.48 0.00 0.00 55.95 57.06 2x54 s SER 195 Cb -0.31 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.16 2x54 s SER 195 CO 0.35 -0.19 0.66 0.59 0.98 0.00 0.00 173.24 175.62 2x54 n ASN 196 N 2.35 -7.69 -3.74 7.02 4.13 -1.15 -4.69 115.26 111.50 2x54 n ASN 196 Ca -0.17 0.13 -0.13 0.00 1.68 0.00 0.00 54.58 56.09 2x54 n ASN 196 Cb 0.57 -5.11 -0.09 0.00 -1.54 0.00 0.00 39.78 33.62 2x54 n ASN 196 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2x54 s ILE 197 N -2.80 0.04 0.26 2.41 1.10 -0.85 -4.96 121.20 116.39 2x54 s ILE 197 Ca 0.11 -0.31 0.10 0.00 -0.51 0.00 0.00 60.65 60.04 2x54 s ILE 197 Cb -0.03 -0.61 -0.04 0.00 0.15 0.00 0.00 42.46 41.93 2x54 s ILE 197 CO 0.77 -0.17 -0.05 -1.10 -2.11 0.00 0.00 174.94 172.28 2x54 s GLN 198 N -0.87 2.15 0.17 3.50 -0.21 -1.26 -0.34 119.66 122.80 2x54 s GLN 198 Ca -0.09 -1.46 -0.31 0.00 0.02 0.00 0.00 55.36 53.52 2x54 s GLN 198 Cb -0.04 -2.09 -0.09 0.00 1.00 0.00 0.00 33.01 31.79 2x54 s GLN 198 CO 0.03 0.37 1.38 -1.59 -2.12 0.00 0.00 175.29 173.36 2x54 s LYS 199 N -3.52 4.33 0.00 2.91 -2.85 -1.26 -2.90 119.74 116.44 2x54 s LYS 199 Ca 0.30 2.11 0.00 0.00 -1.00 0.00 0.00 55.97 57.38 2x54 s LYS 199 Cb -0.06 -3.20 0.00 0.00 -2.06 0.00 0.00 37.83 32.50 2x54 s LYS 199 CO 0.18 -0.37 0.00 0.41 0.10 0.00 0.00 175.35 175.67 2x54 n GLY 200 N 2.92 1.37 3.83 0.59 0.00 -0.19 -5.01 105.19 108.70 2x54 n GLY 200 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2x54 n GLY 200 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2x54 s TRP 201 N -3.53 3.58 0.79 1.61 0.52 -1.14 -4.82 118.94 115.95 2x54 s TRP 201 Ca 0.00 1.22 -0.11 0.00 0.02 0.00 0.00 56.10 57.23 2x54 s TRP 201 Cb 0.00 -2.50 0.07 0.00 -1.15 0.00 0.00 33.47 29.88 2x54 s TRP 201 CO 0.00 0.33 1.09 1.21 0.02 0.00 0.00 176.95 179.60 2x54 s ASN 202 N -1.80 4.49 -0.03 2.95 2.47 -1.26 -1.63 114.94 120.14 2x54 s ASN 202 Ca 0.43 1.49 -0.23 0.00 0.42 0.00 0.00 52.86 54.97 2x54 s ASN 202 Cb -0.15 -2.24 -0.04 0.00 -1.45 0.00 0.00 41.25 37.36 2x54 s ASN 202 CO 0.20 -1.99 0.70 -0.04 -3.72 0.00 0.00 177.10 172.25 2x54 s MET 203 N -5.05 4.43 0.21 0.43 -1.94 -0.47 -4.82 119.30 112.09 2x54 s MET 203 Ca 0.61 0.91 -0.09 0.00 -1.71 0.00 0.00 55.69 55.40 2x54 s MET 203 Cb -0.15 -3.41 0.15 0.00 2.01 0.00 0.00 34.83 33.43 2x54 s MET 203 CO 0.55 0.17 1.81 0.66 -0.01 0.00 0.00 175.02 178.20 2x54 h SER 204 N 6.28 0.99 0.00 3.03 4.64 -1.87 -3.46 113.55 123.16 2x54 h SER 204 Ca -0.42 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 2x54 h SER 204 Cb 1.20 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2x54 h SER 204 CO 0.73 0.83 0.00 0.61 -0.87 0.00 0.00 176.83 178.13 2x54 n GLY 205 N -1.03 0.41 3.75 -0.77 0.00 -0.62 -4.94 105.19 102.01 2x54 n GLY 205 Ca 0.07 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 2x54 n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x54 s THR 206 N 0.00 2.36 0.29 2.61 2.01 -0.18 -4.81 115.64 117.91 2x54 s THR 206 Ca 0.00 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.27 2x54 s THR 206 Cb 0.00 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 2x54 s THR 206 CO 0.00 -0.01 0.47 0.26 -0.69 0.00 0.00 174.62 174.65 2x54 s TRP 207 N -1.40 3.48 0.10 4.92 0.52 -1.26 -4.20 118.94 121.11 2x54 s TRP 207 Ca 0.71 0.28 -0.31 0.00 0.02 0.00 0.00 56.10 56.81 2x54 s TRP 207 Cb -0.36 -1.83 -0.07 0.00 -1.15 0.00 0.00 33.47 30.06 2x54 s TRP 207 CO 0.43 0.25 1.31 0.08 0.02 0.00 0.00 176.95 179.03 2x54 s VAL 208 N -2.13 3.60 0.63 4.03 1.01 -0.31 -4.99 120.40 122.23 2x54 s VAL 208 Ca 0.38 1.16 -0.18 0.00 0.00 0.00 0.00 61.98 63.34 2x54 s VAL 208 Cb -0.10 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 2x54 s VAL 208 CO 0.33 0.10 1.21 -1.81 0.00 0.00 0.00 175.10 174.93 2x54 s ASP 209 N 1.03 4.93 0.26 3.32 1.11 -1.26 -4.53 116.67 121.52 2x54 s ASP 209 Ca 0.62 2.39 -0.03 0.00 0.18 0.00 0.00 52.55 55.71 2x54 s ASP 209 Cb -0.34 -2.60 0.52 0.00 1.07 0.00 0.00 42.92 41.58 2x54 s ASP 209 CO 0.30 -1.77 1.70 -0.09 1.18 0.00 0.00 175.17 176.49 2x54 h ARG 210 N 0.58 0.33 0.00 8.23 2.43 -1.96 -2.11 114.38 121.88 2x54 h ARG 210 Ca -0.50 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.65 2x54 h ARG 210 Cb 1.30 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2x54 h ARG 210 CO 0.54 0.22 -0.00 -1.35 -1.51 0.00 0.00 179.97 177.86 2x54 h PRO 211 N 0.34 0.00 -0.02 0.20 0.11 -2.03 -2.85 132.00 127.74 2x54 h PRO 211 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 2x54 h PRO 211 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2x54 h PRO 211 CO -0.49 0.00 -0.28 1.19 -0.21 0.00 0.00 178.00 178.21 2x54 n PHE 212 N -3.09 0.00 -2.33 0.65 3.72 -0.82 -4.97 117.46 110.62 2x54 n PHE 212 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 2x54 n PHE 212 Cb 0.25 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.76 2x54 n PHE 212 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2x54 s ARG 213 N -2.28 4.32 0.78 -1.08 0.52 -1.02 -4.96 118.95 115.22 2x54 s ARG 213 Ca 0.23 1.84 -0.12 0.00 -0.52 0.00 0.00 55.73 57.16 2x54 s ARG 213 Cb 0.19 -3.55 0.06 0.00 0.52 0.00 0.00 34.95 32.17 2x54 s ARG 213 CO 0.46 -0.50 1.14 -1.25 0.02 0.00 0.00 175.30 175.17 2x54 s PRO 214 N 2.22 2.25 0.18 3.54 0.04 -1.26 -4.95 135.00 137.01 2x54 s PRO 214 Ca 0.60 0.27 -0.06 0.00 0.04 0.00 0.00 61.00 61.85 2x54 s PRO 214 Cb -0.29 -1.97 0.07 0.00 0.04 0.00 0.00 34.50 32.35 2x54 s PRO 214 CO 0.25 -1.43 1.51 0.00 0.04 0.00 0.00 177.00 177.37 2x54 h ALA 215 N -0.94 0.67 -2.18 8.56 0.00 -1.74 -3.39 119.26 120.24 2x54 h ALA 215 Ca -0.46 -0.48 -0.41 0.00 0.00 0.00 0.00 54.91 53.57 2x54 h ALA 215 Cb 1.30 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.85 2x54 h ALA 215 CO 0.65 0.67 -0.69 0.00 0.00 0.00 0.00 179.25 179.88 2x54 s ALA 216 N -4.19 1.88 -0.20 0.00 0.00 -1.26 -4.77 121.76 113.22 2x54 s ALA 216 Ca -0.09 -1.70 -0.29 0.00 0.00 0.00 0.00 51.96 49.88 2x54 s ALA 216 Cb 0.11 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 2x54 s ALA 216 CO 0.85 -0.10 1.94 0.54 0.00 0.00 0.00 175.76 178.99 2x54 s VAL 217 N -3.20 3.28 -0.26 0.00 0.11 -1.26 -4.59 120.40 114.47 2x54 s VAL 217 Ca 0.24 0.30 -0.13 0.00 -2.93 0.00 0.00 61.98 59.47 2x54 s VAL 217 Cb 0.03 -3.32 -0.04 0.00 -1.53 0.00 0.00 36.38 31.51 2x54 s VAL 217 CO 0.07 -0.16 0.26 -1.10 -3.33 0.00 0.00 175.10 170.84 2x54 s GLN 218 N 5.48 4.01 -0.56 1.54 -1.52 -1.09 -4.93 119.66 122.60 2x54 s GLN 218 Ca 0.87 -0.15 -0.22 0.00 -1.95 0.00 0.00 55.36 53.91 2x54 s GLN 218 Cb -0.30 -3.62 0.06 0.00 -0.22 0.00 0.00 33.01 28.92 2x54 s GLN 218 CO 0.34 -0.15 0.83 -1.12 -0.25 0.00 0.00 175.29 174.94 2x54 s SER 219 N 1.52 6.26 -0.30 5.90 0.01 -1.26 -2.03 113.70 123.81 2x54 s SER 219 Ca 0.11 -0.72 -0.10 0.00 1.31 0.00 0.00 55.95 56.55 2x54 s SER 219 Cb -0.15 -2.38 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 2x54 s SER 219 CO 0.09 -1.15 0.15 -0.76 0.41 0.00 0.00 173.24 171.98 2x54 s LEU 220 N 3.46 3.98 0.12 2.44 1.43 0.01 -4.93 118.68 125.20 2x54 s LEU 220 Ca 0.23 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.65 2x54 s LEU 220 Cb -0.16 -2.01 -0.06 0.00 0.03 0.00 0.00 46.19 43.99 2x54 s LEU 220 CO 0.14 -0.14 0.96 -0.69 0.23 0.00 0.00 176.35 176.85 2x54 s VAL 221 N 1.64 4.46 0.21 -1.59 1.01 -1.26 -1.24 120.40 123.62 2x54 s VAL 221 Ca 0.05 2.06 0.01 0.00 0.00 0.00 0.00 61.98 64.10 2x54 s VAL 221 Cb -0.17 -4.32 -0.00 0.00 0.00 0.00 0.00 36.38 31.89 2x54 s VAL 221 CO 0.07 0.33 0.03 0.61 0.00 0.00 0.00 175.10 176.13 2x54 n GLY 222 N 2.20 3.82 3.29 4.51 0.00 0.13 -4.55 105.19 114.60 2x54 n GLY 222 Ca 0.02 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 43.75 2x54 n GLY 222 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2x54 s HIS 223 N -2.02 -0.38 -0.34 1.61 2.46 -0.19 -2.78 115.29 113.64 2x54 s HIS 223 Ca 0.04 0.87 -0.23 0.00 0.47 0.00 0.00 55.06 56.21 2x54 s HIS 223 Cb 0.00 0.15 0.01 0.00 -0.13 0.00 0.00 32.58 32.61 2x54 s HIS 223 CO 0.03 -0.28 0.76 -0.06 -2.47 0.00 0.00 174.74 172.72 2x54 s PHE 224 N -0.28 3.15 0.07 3.88 0.08 -1.08 -1.26 117.98 122.53 2x54 s PHE 224 Ca -0.04 0.60 -0.35 0.00 0.12 0.00 0.00 56.93 57.26 2x54 s PHE 224 Cb -0.03 -3.30 -0.14 0.00 -0.57 0.00 0.00 43.02 38.97 2x54 s PHE 224 CO 0.02 -0.66 1.60 0.00 -0.10 0.00 0.00 175.22 176.08 2x54 n ALA 225 N 6.29 0.69 -0.99 5.36 0.00 -0.72 -2.22 120.51 128.92 2x54 n ALA 225 Ca 0.02 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2x54 n ALA 225 Cb 0.48 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.62 2x54 n ALA 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x54 n GLY 226 N 3.48 0.51 3.59 0.00 0.00 -1.26 -4.79 105.19 106.71 2x54 n GLY 226 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 2x54 n GLY 226 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x54 s ARG 227 N -0.18 1.92 -0.11 1.61 0.52 -0.94 -5.05 118.95 116.72 2x54 s ARG 227 Ca 0.00 -2.13 0.15 0.00 -0.52 0.00 0.00 55.73 53.22 2x54 s ARG 227 Cb 0.00 -1.25 0.50 0.00 0.52 0.00 0.00 34.95 34.72 2x54 s ARG 227 CO 0.00 -0.22 1.42 -0.40 0.02 0.00 0.00 175.30 176.11 2x54 n ASP 228 N -1.01 3.80 -4.78 0.23 5.68 -1.26 -4.85 116.55 114.36 2x54 n ASP 228 Ca -0.08 -2.59 -0.34 0.00 -0.50 0.00 0.00 54.79 51.28 2x54 n ASP 228 Cb 0.67 -0.45 -0.07 0.00 -1.14 0.00 0.00 41.12 40.12 2x54 n ASP 228 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2x54 s THR 229 N -2.07 4.81 0.43 2.12 -4.23 -1.26 -5.09 115.64 110.35 2x54 s THR 229 Ca 0.38 -0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.69 2x54 s THR 229 Cb 0.27 -3.14 -0.03 0.00 1.34 0.00 0.00 72.50 70.94 2x54 s THR 229 CO 0.14 0.47 0.08 -0.94 -0.54 0.00 0.00 174.62 173.82 2x54 s SER 230 N -1.40 3.20 0.23 3.99 1.04 -1.26 -2.65 113.70 116.85 2x54 s SER 230 Ca 0.19 -1.62 -0.12 0.00 0.48 0.00 0.00 55.95 54.88 2x54 s SER 230 Cb -0.12 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 2x54 s SER 230 CO 0.09 -0.85 0.43 0.72 0.98 0.00 0.00 173.24 174.61 2x54 s PHE 231 N -3.10 0.41 -0.12 5.02 -0.12 -1.12 -4.65 117.98 114.30 2x54 s PHE 231 Ca 0.20 -0.76 -0.10 0.00 -0.05 0.00 0.00 56.93 56.23 2x54 s PHE 231 Cb 0.03 0.11 0.03 0.00 -0.63 0.00 0.00 43.02 42.56 2x54 s PHE 231 CO 0.11 -0.93 0.31 -3.38 -0.05 0.00 0.00 175.22 171.29 2x54 s HIS 232 N -4.02 -0.36 0.04 3.49 -3.43 -1.26 0.22 115.29 109.97 2x54 s HIS 232 Ca 0.22 0.87 0.06 0.00 -0.80 0.00 0.00 55.06 55.41 2x54 s HIS 232 Cb 0.00 0.12 -0.03 0.00 -1.43 0.00 0.00 32.58 31.24 2x54 s HIS 232 CO 0.07 -0.19 -0.13 0.96 -2.00 0.00 0.00 174.74 173.46 2x54 s ILE 233 N 0.39 3.20 -0.39 -5.38 -4.36 -0.38 -1.91 121.20 112.37 2x54 s ILE 233 Ca -0.02 -1.06 -0.08 0.00 -0.26 0.00 0.00 60.65 59.23 2x54 s ILE 233 Cb -0.04 -2.39 0.06 0.00 1.25 0.00 0.00 42.46 41.35 2x54 s ILE 233 CO -0.02 0.31 0.21 -1.81 0.24 0.00 0.00 174.94 173.88 2x54 s ASP 234 N -1.57 5.54 -0.77 4.36 1.11 0.07 -0.81 116.67 124.60 2x54 s ASP 234 Ca 0.17 -1.38 -0.20 0.00 0.18 0.00 0.00 52.55 51.33 2x54 s ASP 234 Cb -0.11 -1.95 0.11 0.00 1.07 0.00 0.00 42.92 42.04 2x54 s ASP 234 CO 0.08 -0.46 0.97 -0.63 1.18 0.00 0.00 175.17 176.30 2x54 s ILE 235 N 1.42 4.68 0.69 0.77 1.01 -0.86 -0.98 121.20 127.92 2x54 s ILE 235 Ca 0.02 -1.15 -0.15 0.00 0.00 0.00 0.00 60.65 59.37 2x54 s ILE 235 Cb -0.22 -4.67 0.01 0.00 0.01 0.00 0.00 42.46 37.60 2x54 s ILE 235 CO 0.02 -1.38 1.13 0.20 0.00 0.00 0.00 174.94 174.91 2x54 s ASN 236 N 3.55 4.83 0.64 3.58 0.01 -0.44 -2.66 114.94 124.47 2x54 s ASN 236 Ca 0.24 2.07 0.42 0.00 -0.71 0.00 0.00 52.86 54.88 2x54 s ASN 236 Cb -0.13 -2.56 2.23 0.00 0.41 0.00 0.00 41.25 41.21 2x54 s ASN 236 CO -0.00 -1.82 2.31 -0.65 -1.51 0.00 0.00 177.10 175.43 2x54 h PRO 237 N -0.14 0.00 -0.00 -0.60 0.11 -1.81 -2.27 132.00 127.29 2x54 h PRO 237 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2x54 h PRO 237 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2x54 h PRO 237 CO 0.53 0.00 -0.01 0.27 -0.21 0.00 0.00 178.00 178.58 2x54 n ASN 238 N -3.17 0.22 0.00 -2.05 6.94 -1.26 -4.68 115.26 111.26 2x54 n ASN 238 Ca -0.03 -0.82 0.00 0.00 -0.02 0.00 0.00 54.58 53.72 2x54 n ASN 238 Cb 0.10 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 2x54 n ASN 238 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2x54 n GLY 239 N 1.11 1.73 3.77 4.83 0.00 -0.85 -4.93 105.19 110.85 2x54 n GLY 239 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2x54 n GLY 239 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x54 s SER 240 N -1.55 6.67 -0.21 1.61 1.04 -1.26 -1.17 113.70 118.84 2x54 s SER 240 Ca 0.00 2.57 -0.04 0.00 0.48 0.00 0.00 55.95 58.96 2x54 s SER 240 Cb 0.00 -2.64 -0.02 0.00 0.10 0.00 0.00 66.02 63.47 2x54 s SER 240 CO 0.00 -0.59 -0.02 -0.63 0.98 0.00 0.00 173.24 172.98 2x54 s ILE 241 N -1.22 3.66 -0.20 -1.02 1.01 -1.26 -1.33 121.20 120.84 2x54 s ILE 241 Ca 0.52 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.73 2x54 s ILE 241 Cb -0.37 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.44 2x54 s ILE 241 CO 0.48 0.42 -0.07 -0.89 0.00 0.00 0.00 174.94 174.88 2x54 s THR 242 N 1.24 3.22 0.22 2.92 2.01 -0.16 -1.37 115.64 123.72 2x54 s THR 242 Ca 0.03 -0.55 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 2x54 s THR 242 Cb -0.14 -2.44 -0.09 0.00 0.01 0.00 0.00 72.50 69.84 2x54 s THR 242 CO -0.00 0.45 1.21 0.86 -0.69 0.00 0.00 174.62 176.45 2x54 s TRP 243 N 1.27 3.38 -0.01 4.92 -0.11 -0.65 -0.75 118.94 126.99 2x54 s TRP 243 Ca 0.03 1.43 0.21 0.00 1.22 0.00 0.00 56.10 59.00 2x54 s TRP 243 Cb -0.14 -3.46 0.36 0.00 -1.50 0.00 0.00 33.47 28.73 2x54 s TRP 243 CO -0.03 -1.28 1.15 0.91 -4.62 0.00 0.00 176.95 173.07 2x54 n TRP 244 N 2.11 0.00 -1.71 5.86 7.02 -0.80 -1.02 117.44 128.89 2x54 n TRP 244 Ca 0.03 -0.49 0.00 0.00 -1.02 0.00 0.00 57.50 56.02 2x54 n TRP 244 Cb 0.44 -0.14 0.00 0.00 -2.42 0.00 0.00 31.31 29.19 2x54 n TRP 244 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2x54 n GLY 245 N 0.30 2.22 3.83 6.99 0.00 -1.25 -4.47 105.19 112.81 2x54 n GLY 245 Ca 0.06 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 2x54 n GLY 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x54 s ALA 246 N -2.33 2.93 0.10 4.61 0.00 -1.26 -4.48 121.76 121.33 2x54 s ALA 246 Ca 0.00 0.25 -0.31 0.00 0.00 0.00 0.00 51.96 51.91 2x54 s ALA 246 Cb 0.00 -3.16 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 2x54 s ALA 246 CO 0.00 -0.51 1.37 -0.80 0.00 0.00 0.00 175.76 175.82 2x54 s ASN 247 N -3.01 6.86 -0.17 0.00 0.01 -1.26 -4.76 114.94 112.59 2x54 s ASN 247 Ca 0.61 2.27 -0.07 0.00 -0.71 0.00 0.00 52.86 54.96 2x54 s ASN 247 Cb -0.13 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.91 2x54 s ASN 247 CO 0.35 -0.64 0.06 -0.63 -1.51 0.00 0.00 177.10 174.73 2x54 s ILE 248 N 1.20 4.79 0.79 0.60 -1.09 0.54 -4.98 121.20 123.05 2x54 s ILE 248 Ca 0.64 -0.04 -0.03 0.00 -2.23 0.00 0.00 60.65 58.99 2x54 s ILE 248 Cb -0.36 -3.15 0.16 0.00 -1.58 0.00 0.00 42.46 37.54 2x54 s ILE 248 CO 0.30 0.47 1.08 1.51 -1.23 0.00 0.00 174.94 177.07 2x54 s ASP 249 N 0.25 3.96 0.46 3.58 1.47 -1.26 -2.01 116.67 123.11 2x54 s ASP 249 Ca 0.04 -0.38 0.31 0.00 1.18 0.00 0.00 52.55 53.70 2x54 s ASP 249 Cb -0.12 0.16 1.42 0.00 -0.34 0.00 0.00 42.92 44.03 2x54 s ASP 249 CO 0.00 -2.14 1.68 0.07 0.68 0.00 0.00 175.17 175.46 2x54 h LYS 250 N -0.80 0.12 -6.35 2.11 2.10 -1.97 -3.21 116.57 108.57 2x54 h LYS 250 Ca -0.36 -0.01 -0.54 0.00 -2.00 0.00 0.00 60.65 57.74 2x54 h LYS 250 Cb 1.25 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2x54 h LYS 250 CO 0.36 0.08 0.90 0.99 -2.00 0.00 0.00 179.45 179.78 2x54 s THR 251 N -5.22 3.65 -0.01 0.07 2.01 -1.26 -4.69 115.64 110.18 2x54 s THR 251 Ca -0.07 0.99 -0.24 0.00 0.31 0.00 0.00 61.69 62.68 2x54 s THR 251 Cb 0.27 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 2x54 s THR 251 CO 0.82 -0.02 0.74 -2.16 -0.69 0.00 0.00 174.62 173.31 2x54 s PRO 252 N 2.77 4.46 -0.14 4.92 0.05 -1.26 -4.69 135.00 141.10 2x54 s PRO 252 Ca 0.66 0.98 -0.01 0.00 0.05 0.00 0.00 61.00 62.68 2x54 s PRO 252 Cb -0.32 -3.41 -0.02 0.00 0.05 0.00 0.00 34.50 30.81 2x54 s PRO 252 CO 0.27 0.16 -0.10 0.42 0.05 0.00 0.00 177.00 177.80 2x54 s ILE 253 N 0.41 3.25 0.22 0.56 1.01 -1.05 -4.89 121.20 120.71 2x54 s ILE 253 Ca 0.38 -0.59 -0.32 0.00 0.00 0.00 0.00 60.65 60.13 2x54 s ILE 253 Cb -0.19 -2.39 -0.12 0.00 0.01 0.00 0.00 42.46 39.77 2x54 s ILE 253 CO 0.21 0.51 1.66 0.00 0.00 0.00 0.00 174.94 177.32 2x54 n ALA 254 N 3.62 2.51 -3.64 9.38 0.00 -1.26 -2.38 120.51 128.74 2x54 n ALA 254 Ca -0.18 0.40 -0.34 0.00 0.00 0.00 0.00 53.44 53.32 2x54 n ALA 254 Cb 0.52 -2.48 -0.15 0.00 0.00 0.00 0.00 19.45 17.35 2x54 n ALA 254 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2x54 s THR 255 N 0.82 2.89 0.12 0.00 -4.23 0.12 -1.76 115.64 113.59 2x54 s THR 255 Ca 0.73 -0.67 0.03 0.00 -1.18 0.00 0.00 61.69 60.60 2x54 s THR 255 Cb -0.53 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 2x54 s THR 255 CO 0.37 0.48 -0.08 -0.13 -0.54 0.00 0.00 174.62 174.72 2x54 s ARG 256 N 1.26 0.91 0.00 3.99 1.81 -0.39 -2.87 118.95 123.66 2x54 s ARG 256 Ca 0.03 -1.38 0.00 0.00 -1.72 0.00 0.00 55.73 52.66 2x54 s ARG 256 Cb -0.14 -0.34 0.00 0.00 -0.45 0.00 0.00 34.95 34.02 2x54 s ARG 256 CO -0.05 0.01 0.00 0.41 -0.68 0.00 0.00 175.30 174.99 2x54 n GLY 257 N -0.10 3.60 3.07 -3.53 0.00 -1.25 -1.03 105.19 105.95 2x54 n GLY 257 Ca -0.11 -1.52 -0.27 0.00 0.00 0.00 0.00 46.02 44.11 2x54 n GLY 257 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x54 s ASN 258 N 0.00 2.22 -0.07 1.61 -0.87 -1.26 -0.83 114.94 115.74 2x54 s ASN 258 Ca 0.00 -0.38 -0.00 0.00 -1.57 0.00 0.00 52.86 50.90 2x54 s ASN 258 Cb 0.00 -1.01 0.02 0.00 -0.02 0.00 0.00 41.25 40.24 2x54 s ASN 258 CO 0.00 0.05 -0.03 -0.83 -2.57 0.00 0.00 177.10 173.72 2x54 s GLY 259 N 0.71 0.55 -0.01 0.66 0.00 -0.43 -4.91 107.32 103.88 2x54 s GLY 259 Ca -0.13 -0.20 -0.00 0.00 0.00 0.00 0.00 44.72 44.39 2x54 s GLY 259 CO 0.03 0.80 0.06 -1.35 0.00 0.00 0.00 173.10 172.64 2x54 s SER 260 N 1.52 5.54 0.11 1.64 1.04 -1.26 -0.71 113.70 121.59 2x54 s SER 260 Ca -0.01 0.12 -0.14 0.00 0.48 0.00 0.00 55.95 56.40 2x54 s SER 260 Cb -0.13 -1.57 0.02 0.00 0.10 0.00 0.00 66.02 64.45 2x54 s SER 260 CO -0.04 0.29 0.33 -0.72 0.98 0.00 0.00 173.24 174.08 2x54 s TYR 261 N -1.14 -0.09 -0.09 5.02 -0.85 -0.67 -5.01 117.35 114.52 2x54 s TYR 261 Ca 0.21 -0.27 -0.04 0.00 -0.52 0.00 0.00 57.07 56.45 2x54 s TYR 261 Cb -0.12 0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.34 2x54 s TYR 261 CO 0.12 -0.65 0.10 -0.06 -1.52 0.00 0.00 175.55 173.53 2x54 s PHE 262 N -3.82 3.43 -0.14 -3.49 0.08 -1.26 -1.51 117.98 111.27 2x54 s PHE 262 Ca 0.04 0.38 -0.16 0.00 0.12 0.00 0.00 56.93 57.31 2x54 s PHE 262 Cb 0.03 -1.86 -0.13 0.00 -0.57 0.00 0.00 43.02 40.48 2x54 s PHE 262 CO -0.12 0.63 0.28 0.82 -0.10 0.00 0.00 175.22 176.73 2x54 h ILE 263 N 3.85 0.80 0.00 0.64 2.04 -1.46 -3.42 117.51 119.97 2x54 h ILE 263 Ca -0.53 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 63.64 2x54 h ILE 263 Cb 1.21 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 2x54 h ILE 263 CO 0.58 0.27 0.00 0.29 0.00 0.00 0.00 178.15 179.29