#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 3.94 -0.47 2.28 1.01 -1.26 -5.08 121.20 121.62 2x54 s ILE 3 Ca 0.00 -0.53 -0.18 0.00 0.00 0.00 0.00 60.65 59.95 2x54 s ILE 3 Cb 0.00 -2.94 0.05 0.00 0.01 0.00 0.00 42.46 39.58 2x54 s ILE 3 CO 0.00 0.21 0.52 -0.54 0.00 0.00 0.00 174.94 175.13 2x54 s LYS 4 N 1.52 3.09 0.15 2.79 1.02 -1.26 -5.07 119.74 121.99 2x54 s LYS 4 Ca 0.04 -0.93 -0.20 0.00 0.02 0.00 0.00 55.97 54.90 2x54 s LYS 4 Cb -0.16 -4.06 -0.08 0.00 -0.52 0.00 0.00 37.83 33.01 2x54 s LYS 4 CO 0.02 -1.06 0.66 -0.80 -0.92 0.00 0.00 175.35 173.25 2x54 s ASN 5 N 2.38 7.11 0.10 2.83 0.02 -1.26 -5.02 114.94 121.11 2x54 s ASN 5 Ca 0.12 1.38 0.00 0.00 -1.02 0.00 0.00 52.86 53.34 2x54 s ASN 5 Cb -0.19 -2.40 0.00 0.00 0.02 0.00 0.00 41.25 38.67 2x54 s ASN 5 CO 0.12 0.16 0.00 0.49 0.02 0.00 0.00 177.10 177.89 2x54 n PHE 6 N 1.27 -0.57 -1.15 2.20 3.01 -1.26 -4.73 117.46 116.22 2x54 n PHE 6 Ca -0.06 0.10 -0.27 0.00 1.01 0.00 0.00 57.45 58.23 2x54 n PHE 6 Cb 0.50 0.20 -0.08 0.00 -0.01 0.00 0.00 39.48 40.09 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 -3.22 3.67 -3.81 4.37 -1.04 -1.26 -4.80 114.28 108.19 2x54 n THR 7 Ca 0.00 -2.08 -0.12 0.00 -2.04 0.00 0.00 64.05 59.81 2x54 n THR 7 Cb 0.13 -2.34 -0.11 0.00 -1.82 0.00 0.00 70.33 66.18 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 1.79 -0.19 0.58 -1.42 0.40 -1.26 -5.17 117.98 112.71 2x54 s PHE 8 Ca 0.66 0.46 -0.18 0.00 -0.60 0.00 0.00 56.93 57.28 2x54 s PHE 8 Cb 0.23 0.06 -0.04 0.00 0.51 0.00 0.00 43.02 43.78 2x54 s PHE 8 CO -0.03 -0.15 1.10 -0.59 0.70 0.00 0.00 175.22 176.25 2x54 s PHE 9 N -0.17 2.74 -0.28 0.36 -0.12 -1.26 -4.72 117.98 114.53 2x54 s PHE 9 Ca -0.03 1.55 -0.01 0.00 -0.05 0.00 0.00 56.93 58.39 2x54 s PHE 9 Cb -0.03 -3.19 0.04 0.00 -0.63 0.00 0.00 43.02 39.22 2x54 s PHE 9 CO 0.01 -1.46 -0.04 -1.12 -0.05 0.00 0.00 175.22 172.55 2x54 s SER 10 N -2.19 4.62 0.20 1.98 0.01 -1.26 -4.78 113.70 112.28 2x54 s SER 10 Ca 0.69 -1.18 -0.05 0.00 1.31 0.00 0.00 55.95 56.72 2x54 s SER 10 Cb -0.21 -1.66 0.16 0.00 0.21 0.00 0.00 66.02 64.51 2x54 s SER 10 CO 0.32 -0.21 1.60 -0.65 0.41 0.00 0.00 173.24 174.72 2x54 h PRO 11 N 7.96 0.77 -0.42 12.44 0.11 -2.01 -2.63 132.00 148.23 2x54 h PRO 11 Ca -0.24 -0.33 0.00 0.00 0.11 0.00 0.00 66.00 65.53 2x54 h PRO 11 Cb 1.07 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2x54 h PRO 11 CO 0.53 0.95 0.00 0.09 -0.21 0.00 0.00 178.00 179.36 2x54 n ASN 12 N -4.09 2.30 -2.35 -2.05 3.02 -1.26 -4.95 115.26 105.88 2x54 n ASN 12 Ca -0.00 -1.98 -0.18 0.00 -0.03 0.00 0.00 54.58 52.39 2x54 n ASN 12 Cb 0.46 -0.28 -0.01 0.00 -0.61 0.00 0.00 39.78 39.34 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 0.75 -5.17 0.00 6.41 7.64 -0.99 -4.80 113.62 117.47 2x54 n SER 13 Ca 0.15 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2x54 n SER 13 Cb 0.37 -4.35 0.00 0.00 -1.01 0.00 0.00 64.21 59.22 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 -3.68 0.00 0.07 0.44 -2.24 -1.26 -4.97 114.28 102.64 2x54 n THR 14 Ca -0.21 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.42 2x54 n THR 14 Cb 0.66 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.64 -2.91 -0.78 3.07 -1.90 -3.38 114.58 108.05 2x54 h GLU 15 Ca 0.00 0.04 -0.61 0.00 -0.50 0.00 0.00 59.36 58.29 2x54 h GLU 15 Cb 0.05 0.14 -0.42 0.00 -0.84 0.00 0.00 28.75 27.69 2x54 h GLU 15 CO 0.00 -0.42 -0.61 1.19 -1.40 0.00 0.00 179.01 177.76 2x54 n PHE 16 N -5.27 2.93 -2.90 4.33 3.72 -1.26 -5.02 117.46 113.99 2x54 n PHE 16 Ca -0.07 -4.21 -0.40 0.00 -0.05 0.00 0.00 57.45 52.72 2x54 n PHE 16 Cb 0.38 -0.54 -0.05 0.00 -0.94 0.00 0.00 39.48 38.32 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 -1.47 4.57 -0.23 -1.08 0.05 -1.26 -4.88 135.00 130.71 2x54 s PRO 17 Ca 0.27 1.20 -0.04 0.00 0.05 0.00 0.00 61.00 62.48 2x54 s PRO 17 Cb -0.01 -3.36 -0.01 0.00 0.05 0.00 0.00 34.50 31.17 2x54 s PRO 17 CO -0.15 0.28 -0.02 0.54 0.05 0.00 0.00 177.00 177.70 2x54 s VAL 18 N -0.12 3.53 0.69 -0.36 0.11 -1.26 -4.96 120.40 118.02 2x54 s VAL 18 Ca 0.41 -0.44 -0.01 0.00 -2.93 0.00 0.00 61.98 59.01 2x54 s VAL 18 Cb -0.22 -2.62 0.10 0.00 -1.53 0.00 0.00 36.38 32.12 2x54 s VAL 18 CO 0.25 0.41 0.95 -0.83 -3.33 0.00 0.00 175.10 172.56 2x54 s GLY 19 N 1.50 1.77 0.22 6.54 0.00 -1.26 -4.93 107.32 111.16 2x54 s GLY 19 Ca 0.06 -1.59 -0.08 0.00 0.00 0.00 0.00 44.72 43.11 2x54 s GLY 19 CO -0.02 -1.09 1.86 1.48 0.00 0.00 0.00 173.10 175.33 2x54 h SER 20 N -0.42 0.79 0.15 1.64 4.64 -1.99 -1.67 113.55 116.69 2x54 h SER 20 Ca -0.38 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.77 2x54 h SER 20 Cb 1.28 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2x54 h SER 20 CO 0.44 0.54 -0.62 -0.55 -0.87 0.00 0.00 176.83 175.77 2x54 h ASN 21 N 0.94 0.53 -0.48 4.97 -1.07 -1.96 -0.56 115.58 117.94 2x54 h ASN 21 Ca 0.32 -0.31 -0.11 0.00 0.07 0.00 0.00 56.30 56.27 2x54 h ASN 21 Cb 0.05 -0.15 -0.01 0.00 -2.07 0.00 0.00 38.32 36.13 2x54 h ASN 21 CO -0.12 1.02 -0.12 0.78 0.07 0.00 0.00 177.43 179.06 2x54 h ASN 22 N 0.34 0.94 0.40 6.14 -0.26 -1.81 -1.49 115.58 119.85 2x54 h ASN 22 Ca -0.01 -0.36 -0.22 0.00 -0.56 0.00 0.00 56.30 55.15 2x54 h ASN 22 Cb 1.17 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 38.17 2x54 h ASN 22 CO 0.11 1.09 -0.92 0.44 -1.06 0.00 0.00 177.43 177.08 2x54 h ASP 23 N 0.79 0.46 -0.66 5.81 5.19 -1.34 -2.97 116.42 123.71 2x54 h ASP 23 Ca 0.12 -0.37 0.04 0.00 -0.62 0.00 0.00 57.03 56.20 2x54 h ASP 23 Cb 0.67 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 40.00 2x54 h ASP 23 CO 0.05 1.17 0.40 1.23 -3.12 0.00 0.00 179.24 178.97 2x54 h GLY 24 N 1.39 0.95 1.61 2.75 0.00 -0.93 0.22 103.07 109.06 2x54 h GLY 24 Ca -0.07 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 2x54 h GLY 24 CO 0.16 0.24 -0.44 0.50 0.00 0.00 0.00 176.54 176.99 2x54 h LYS 25 N 0.77 0.42 0.01 4.80 1.57 -1.33 -2.79 116.57 120.02 2x54 h LYS 25 Ca 0.27 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2x54 h LYS 25 Cb 0.06 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2x54 h LYS 25 CO -0.12 0.78 -0.01 1.25 -0.57 0.00 0.00 179.45 180.79 2x54 h LEU 26 N 0.34 -0.01 -1.10 2.94 5.85 -1.22 -2.97 115.31 119.14 2x54 h LEU 26 Ca 0.03 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2x54 h LEU 26 Cb 0.91 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 2x54 h LEU 26 CO 0.08 0.18 0.41 1.88 -0.34 0.00 0.00 178.44 180.65 2x54 h TYR 27 N -0.20 1.02 -0.86 1.25 0.05 -0.96 -2.54 116.97 114.72 2x54 h TYR 27 Ca -0.00 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 2x54 h TYR 27 Cb 0.20 -0.33 -0.04 0.00 1.01 0.00 0.00 36.73 37.57 2x54 h TYR 27 CO -0.01 0.71 0.46 0.52 -1.05 0.00 0.00 178.16 178.78 2x54 h MET 28 N 1.05 1.21 -0.08 4.88 2.86 -1.47 -2.84 114.93 120.54 2x54 h MET 28 Ca 0.27 -0.15 -0.19 0.00 -2.06 0.00 0.00 59.70 57.57 2x54 h MET 28 Cb 0.02 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.44 2x54 h MET 28 CO -0.04 0.90 -0.74 0.52 1.06 0.00 0.00 176.91 178.60 2x54 h MET 29 N 1.21 0.43 -0.02 1.72 2.86 -1.33 -1.23 114.93 118.58 2x54 h MET 29 Ca 0.30 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2x54 h MET 29 Cb 0.05 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 2x54 h MET 29 CO -0.05 1.00 0.01 -0.07 1.06 0.00 0.00 176.91 178.86 2x54 h LEU 30 N 0.29 0.02 0.00 1.22 3.38 -1.29 -3.24 115.31 115.69 2x54 h LEU 30 Ca -0.03 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 2x54 h LEU 30 Cb 1.32 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2x54 h LEU 30 CO 0.13 0.16 -0.72 0.00 0.09 0.00 0.00 178.44 178.10 2x54 h THR 31 N -0.12 0.32 -2.34 0.22 1.03 -1.61 -3.49 112.91 106.93 2x54 h THR 31 Ca 0.01 -1.52 0.00 0.00 -0.01 0.00 0.00 66.41 64.89 2x54 h THR 31 Cb 0.15 1.97 0.00 0.00 -1.07 0.00 0.00 68.15 69.19 2x54 h THR 31 CO -0.00 0.18 0.00 0.61 -0.01 0.00 0.00 175.52 176.30 2x54 n GLY 32 N 1.22 0.62 3.43 2.99 0.00 -0.56 -4.69 105.19 108.20 2x54 n GLY 32 Ca -0.01 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.58 1.56 0.00 1.61 0.23 -0.61 -0.28 119.30 118.24 2x54 s MET 33 Ca 0.00 -1.61 0.00 0.00 -1.03 0.00 0.00 55.69 53.05 2x54 s MET 33 Cb 0.00 -1.77 0.00 0.00 -1.53 0.00 0.00 34.83 31.53 2x54 s MET 33 CO 0.00 0.36 0.00 -0.40 -2.03 0.00 0.00 175.02 172.95 2x54 n ASP 34 N -0.08 1.10 -0.13 -1.18 5.68 -1.26 -4.71 116.55 115.98 2x54 n ASP 34 Ca -0.10 -0.93 0.15 0.00 -0.50 0.00 0.00 54.79 53.41 2x54 n ASP 34 Cb 0.58 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 41.31 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 -0.42 0.00 0.24 2.11 4.01 -1.26 -3.62 117.16 118.23 2x54 n TYR 35 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 2x54 n TYR 35 Cb 0.00 -0.08 -0.13 0.00 -0.31 0.00 0.00 39.34 38.82 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 0.50 -4.39 -0.72 1.74 -1.26 -4.13 116.66 107.62 2x54 n ARG 36 Ca 0.19 -0.12 -0.25 0.00 -0.77 0.00 0.00 57.85 56.90 2x54 n ARG 36 Cb 0.22 -1.54 -0.09 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 -3.38 2.41 0.27 0.55 -1.32 -1.24 -4.81 115.64 108.12 2x54 s THR 37 Ca -0.03 -1.99 0.02 0.00 -1.21 0.00 0.00 61.69 58.48 2x54 s THR 37 Cb 0.14 -2.82 -0.04 0.00 -1.51 0.00 0.00 72.50 68.26 2x54 s THR 37 CO 0.89 -0.14 0.13 0.27 -2.21 0.00 0.00 174.62 173.56 2x54 s ILE 38 N -2.58 0.36 -0.24 5.08 -0.00 -1.26 -4.54 121.20 118.01 2x54 s ILE 38 Ca 0.35 -2.00 0.02 0.00 -0.00 0.00 0.00 60.65 59.03 2x54 s ILE 38 Cb 0.02 -2.56 0.05 0.00 -0.00 0.00 0.00 42.46 39.98 2x54 s ILE 38 CO 0.19 0.00 -0.11 -0.13 -0.00 0.00 0.00 174.94 174.89 2x54 s ARG 39 N -3.94 2.25 -0.02 0.37 1.81 -0.99 -4.56 118.95 113.86 2x54 s ARG 39 Ca 0.37 -1.21 0.04 0.00 -1.72 0.00 0.00 55.73 53.20 2x54 s ARG 39 Cb 0.06 -2.79 -0.00 0.00 -0.45 0.00 0.00 34.95 31.77 2x54 s ARG 39 CO 0.15 -0.52 -0.13 0.50 -0.68 0.00 0.00 175.30 174.63 2x54 s ARG 40 N 1.18 1.16 -0.08 3.54 3.00 -1.26 -0.39 118.95 126.10 2x54 s ARG 40 Ca -0.06 -0.44 -0.03 0.00 -1.00 0.00 0.00 55.73 54.19 2x54 s ARG 40 Cb -0.19 -1.09 0.04 0.00 0.00 0.00 0.00 34.95 33.72 2x54 s ARG 40 CO -0.06 0.22 0.16 0.21 0.00 0.00 0.00 175.30 175.83 2x54 s LYS 41 N -0.09 0.07 -0.47 5.12 2.47 -0.86 -5.03 119.74 120.95 2x54 s LYS 41 Ca 0.01 0.48 -0.18 0.00 -1.56 0.00 0.00 55.97 54.72 2x54 s LYS 41 Cb -0.07 -0.21 0.04 0.00 -1.46 0.00 0.00 37.83 36.13 2x54 s LYS 41 CO 0.00 -0.24 0.55 -0.51 0.16 0.00 0.00 175.35 175.32 2x54 s ASP 42 N 1.74 6.22 0.22 1.43 1.01 -1.26 -2.04 116.67 123.99 2x54 s ASP 42 Ca -0.03 -0.79 0.09 0.00 0.71 0.00 0.00 52.55 52.53 2x54 s ASP 42 Cb -0.12 -2.26 0.16 0.00 1.01 0.00 0.00 42.92 41.70 2x54 s ASP 42 CO -0.06 -0.75 1.49 -0.50 0.21 0.00 0.00 175.17 175.56 2x54 h TRP 43 N 8.87 0.00 -3.30 4.23 4.06 -1.64 -3.43 115.95 124.73 2x54 h TRP 43 Ca -0.27 0.00 -0.26 0.00 2.06 0.00 0.00 58.89 60.43 2x54 h TRP 43 Cb 1.10 0.00 -0.32 0.00 -1.00 0.00 0.00 29.16 28.94 2x54 h TRP 43 CO 0.70 0.75 -0.62 -1.54 -3.56 0.00 0.00 178.44 174.16 2x54 s SER 44 N -6.79 -0.05 0.21 -3.49 1.04 -1.19 -5.04 113.70 98.39 2x54 s SER 44 Ca -0.00 0.25 -0.32 0.00 0.48 0.00 0.00 55.95 56.35 2x54 s SER 44 Cb 0.12 0.14 -0.14 0.00 0.10 0.00 0.00 66.02 66.23 2x54 s SER 44 CO 0.78 -0.15 1.37 -1.20 0.98 0.00 0.00 173.24 175.03 2x54 n SER 45 N 4.24 2.43 -4.74 7.02 7.64 -1.26 -3.96 113.62 124.99 2x54 n SER 45 Ca -0.26 1.13 -0.41 0.00 1.01 0.00 0.00 58.87 60.34 2x54 n SER 45 Cb 0.51 -1.37 -0.03 0.00 -1.01 0.00 0.00 64.21 62.31 2x54 n SER 45 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2x54 s PRO 46 N -0.18 4.50 0.33 1.43 0.02 -1.26 -4.58 135.00 135.26 2x54 s PRO 46 Ca 0.71 1.87 -0.26 0.00 0.02 0.00 0.00 61.00 63.34 2x54 s PRO 46 Cb -0.71 -3.24 -0.10 0.00 0.02 0.00 0.00 34.50 30.47 2x54 s PRO 46 CO 0.48 -0.07 0.96 -0.51 -0.33 0.00 0.00 177.00 177.53 2x54 s LEU 47 N -0.30 4.31 -0.26 -5.54 1.43 -0.16 -4.89 118.68 113.27 2x54 s LEU 47 Ca 0.52 1.85 0.02 0.00 -1.03 0.00 0.00 54.13 55.49 2x54 s LEU 47 Cb -0.32 -4.05 0.05 0.00 0.03 0.00 0.00 46.19 41.90 2x54 s LEU 47 CO 0.37 -0.12 -0.10 0.20 0.23 0.00 0.00 176.35 176.93 2x54 s ASN 48 N -1.63 4.38 -0.39 2.29 0.01 -1.26 -1.00 114.94 117.34 2x54 s ASN 48 Ca 0.51 -1.29 0.02 0.00 -0.71 0.00 0.00 52.86 51.39 2x54 s ASN 48 Cb -0.19 -1.57 0.11 0.00 0.41 0.00 0.00 41.25 40.01 2x54 s ASN 48 CO 0.24 -0.18 0.14 -0.89 -1.51 0.00 0.00 177.10 174.90 2x54 s THR 49 N 1.15 2.68 0.00 1.60 2.01 -0.84 -4.98 115.64 117.25 2x54 s THR 49 Ca -0.07 -2.40 0.00 0.00 0.31 0.00 0.00 61.69 59.54 2x54 s THR 49 Cb -0.19 -2.90 0.00 0.00 0.01 0.00 0.00 72.50 69.42 2x54 s THR 49 CO -0.05 -0.66 0.00 0.00 -0.69 0.00 0.00 174.62 173.22 2x54 n ALA 50 N 4.19 0.00 -1.48 7.40 0.00 -1.26 -2.31 120.51 127.05 2x54 n ALA 50 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 2x54 n ALA 50 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.84 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 6.79 -3.77 0.00 4.77 -1.24 -2.96 117.00 120.59 2x54 n LEU 51 Ca 0.00 -4.14 -0.13 0.00 -0.03 0.00 0.00 56.01 51.72 2x54 n LEU 51 Cb 0.00 -1.15 -0.10 0.00 -2.33 0.00 0.00 43.42 39.84 2x54 n LEU 51 CO 0.00 1.65 -0.02 0.20 -1.33 0.00 0.00 177.39 177.89 2x54 s ASN 52 N -0.14 -0.23 -0.22 -1.43 0.01 -0.98 -1.16 114.94 110.79 2x54 s ASN 52 Ca 0.54 0.32 -0.00 0.00 -0.71 0.00 0.00 52.86 53.00 2x54 s ASN 52 Cb 0.39 0.46 0.06 0.00 0.41 0.00 0.00 41.25 42.56 2x54 s ASN 52 CO -0.22 -0.27 -0.03 0.54 -1.51 0.00 0.00 177.10 175.61 2x54 s VAL 53 N -0.61 1.22 -0.33 1.60 0.11 -0.45 -1.99 120.40 119.94 2x54 s VAL 53 Ca -0.07 -0.97 -0.14 0.00 -2.93 0.00 0.00 61.98 57.87 2x54 s VAL 53 Cb -0.04 -1.53 -0.02 0.00 -1.53 0.00 0.00 36.38 33.26 2x54 s VAL 53 CO 0.02 -0.10 0.29 -1.58 -3.33 0.00 0.00 175.10 170.40 2x54 s GLN 54 N 1.55 3.61 -0.72 1.54 0.74 -0.17 -0.34 119.66 125.87 2x54 s GLN 54 Ca -0.04 -0.47 -0.24 0.00 0.05 0.00 0.00 55.36 54.67 2x54 s GLN 54 Cb -0.18 -3.78 0.06 0.00 1.10 0.00 0.00 33.01 30.21 2x54 s GLN 54 CO -0.07 -0.43 1.10 0.71 -0.55 0.00 0.00 175.29 176.05 2x54 s TYR 55 N 1.87 2.56 0.11 1.67 2.02 -0.15 -0.99 117.35 124.44 2x54 s TYR 55 Ca 0.09 -0.45 -0.29 0.00 -0.37 0.00 0.00 57.07 56.05 2x54 s TYR 55 Cb -0.17 -4.42 -0.09 0.00 -0.40 0.00 0.00 41.96 36.88 2x54 s TYR 55 CO 0.11 -1.80 1.61 1.79 -1.57 0.00 0.00 175.55 175.69 2x54 h THR 56 N 6.02 0.27 -1.31 -0.71 1.35 -1.80 -0.42 112.91 116.32 2x54 h THR 56 Ca -0.24 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.51 2x54 h THR 56 Cb 1.06 0.27 -0.24 0.00 -1.73 0.00 0.00 68.15 67.51 2x54 h THR 56 CO 1.22 0.00 -0.49 0.21 -0.25 0.00 0.00 175.52 176.21 2x54 s ASN 57 N -4.73 -0.70 -0.10 5.36 2.47 -1.22 -1.78 114.94 114.23 2x54 s ASN 57 Ca -0.16 -0.57 -0.01 0.00 0.42 0.00 0.00 52.86 52.55 2x54 s ASN 57 Cb 0.08 1.57 0.03 0.00 -1.45 0.00 0.00 41.25 41.47 2x54 s ASN 57 CO 0.64 -0.26 -0.05 -0.89 -3.72 0.00 0.00 177.10 172.82 2x54 s THR 58 N 2.20 0.83 -0.12 -5.21 2.01 -0.94 -1.41 115.64 113.00 2x54 s THR 58 Ca 0.13 -0.17 -0.13 0.00 0.31 0.00 0.00 61.69 61.84 2x54 s THR 58 Cb -0.09 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.48 2x54 s THR 58 CO -0.17 0.34 0.28 -0.44 -0.69 0.00 0.00 174.62 173.94 2x54 s SER 59 N 1.77 6.50 -0.02 3.53 0.01 -0.86 -0.59 113.70 124.04 2x54 s SER 59 Ca 0.05 0.59 0.02 0.00 1.31 0.00 0.00 55.95 57.92 2x54 s SER 59 Cb -0.12 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 63.93 2x54 s SER 59 CO -0.07 0.21 -0.08 -0.63 0.41 0.00 0.00 173.24 173.07 2x54 s ILE 60 N -0.15 0.72 -0.46 1.44 1.01 -0.17 -2.03 121.20 121.55 2x54 s ILE 60 Ca 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.48 2x54 s ILE 60 Cb -0.14 -0.64 0.12 0.00 0.01 0.00 0.00 42.46 41.82 2x54 s ILE 60 CO 0.06 0.22 0.24 -0.63 0.00 0.00 0.00 174.94 174.83 2x54 s ILE 61 N 0.16 3.17 -0.24 2.92 1.01 0.47 -1.51 121.20 127.18 2x54 s ILE 61 Ca -0.02 -2.43 -0.05 0.00 0.00 0.00 0.00 60.65 58.15 2x54 s ILE 61 Cb -0.08 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 2x54 s ILE 61 CO 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 174.94 174.21 2x54 s ALA 62 N 0.69 2.91 -1.46 9.38 0.00 -0.66 -2.35 121.76 130.27 2x54 s ALA 62 Ca 0.11 -1.21 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 2x54 s ALA 62 Cb -0.22 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.07 2x54 s ALA 62 CO -0.04 -0.52 0.21 0.41 0.00 0.00 0.00 175.76 175.81 2x54 n GLY 63 N 4.82 -0.37 2.56 0.00 0.00 -1.26 -1.95 105.19 109.00 2x54 n GLY 63 Ca -0.17 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.18 0.68 3.47 -0.02 0.00 -1.26 -4.75 105.19 102.14 2x54 n GLY 64 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.12 3.64 0.10 1.61 1.81 -0.82 -4.28 118.95 120.89 2x54 s ARG 65 Ca 0.00 -0.50 -0.21 0.00 -1.72 0.00 0.00 55.73 53.30 2x54 s ARG 65 Cb 0.00 -3.44 -0.07 0.00 -0.45 0.00 0.00 34.95 30.99 2x54 s ARG 65 CO 0.00 -0.24 0.63 -0.47 -0.68 0.00 0.00 175.30 174.54 2x54 s TYR 66 N 1.64 3.83 -0.13 -0.53 5.04 -1.26 -1.66 117.35 124.29 2x54 s TYR 66 Ca 0.06 1.38 -0.25 0.00 -2.44 0.00 0.00 57.07 55.82 2x54 s TYR 66 Cb -0.16 -2.58 0.06 0.00 0.35 0.00 0.00 41.96 39.64 2x54 s TYR 66 CO 0.06 0.56 0.62 -0.59 -1.34 0.00 0.00 175.55 174.86 2x54 s PHE 67 N -1.13 -0.62 -0.07 4.97 -0.12 -0.57 -5.01 117.98 115.42 2x54 s PHE 67 Ca 0.31 1.30 -0.01 0.00 -0.05 0.00 0.00 56.93 58.48 2x54 s PHE 67 Cb -0.20 0.30 -0.03 0.00 -0.63 0.00 0.00 43.02 42.45 2x54 s PHE 67 CO 0.21 -0.46 -0.02 -1.21 -0.05 0.00 0.00 175.22 173.70 2x54 s GLU 68 N -0.51 2.90 -0.40 1.99 2.02 -1.26 -1.00 118.70 122.45 2x54 s GLU 68 Ca -0.06 -0.46 -0.09 0.00 0.02 0.00 0.00 54.97 54.38 2x54 s GLU 68 Cb -0.03 -2.73 0.06 0.00 0.10 0.00 0.00 34.13 31.54 2x54 s GLU 68 CO 0.05 0.69 0.22 -0.51 0.02 0.00 0.00 175.26 175.73 2x54 s LEU 69 N -0.93 4.93 -0.46 1.80 1.43 0.24 -4.99 118.68 120.71 2x54 s LEU 69 Ca 0.14 -1.36 -0.05 0.00 -1.03 0.00 0.00 54.13 51.82 2x54 s LEU 69 Cb -0.11 -1.97 0.12 0.00 0.03 0.00 0.00 46.19 44.26 2x54 s LEU 69 CO 0.03 -0.47 0.28 -0.76 0.23 0.00 0.00 176.35 175.65 2x54 s LEU 70 N 1.44 5.41 -1.35 1.79 1.43 -1.26 -2.22 118.68 123.92 2x54 s LEU 70 Ca 0.02 -2.10 -0.06 0.00 -1.03 0.00 0.00 54.13 50.96 2x54 s LEU 70 Cb -0.22 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.13 2x54 s LEU 70 CO 0.03 -0.57 1.01 0.59 0.23 0.00 0.00 176.35 177.64 2x54 n ASN 71 N 4.55 -4.02 -4.55 2.29 4.13 -0.19 -4.99 115.26 112.48 2x54 n ASN 71 Ca -0.03 -0.66 -0.41 0.00 1.68 0.00 0.00 54.58 55.16 2x54 n ASN 71 Cb 0.41 -4.62 -0.08 0.00 -1.54 0.00 0.00 39.78 33.95 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 -6.09 3.60 -0.02 3.52 2.56 -1.05 -4.83 118.70 116.39 2x54 s GLU 72 Ca 0.36 -0.18 -0.19 0.00 0.00 0.00 0.00 54.97 54.95 2x54 s GLU 72 Cb -0.17 -3.81 -0.05 0.00 2.00 0.00 0.00 34.13 32.10 2x54 s GLU 72 CO 0.77 -0.65 0.56 0.99 -0.56 0.00 0.00 175.26 176.36 2x54 s THR 73 N 2.39 4.95 -0.18 -1.70 2.01 -1.26 -0.98 115.64 120.87 2x54 s THR 73 Ca 0.18 1.16 -0.01 0.00 0.31 0.00 0.00 61.69 63.33 2x54 s THR 73 Cb -0.15 -3.89 -0.00 0.00 0.01 0.00 0.00 72.50 68.46 2x54 s THR 73 CO 0.13 0.43 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.69 2x54 s VAL 74 N -0.23 2.90 0.22 3.82 1.01 0.54 -4.94 120.40 123.72 2x54 s VAL 74 Ca 0.29 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 2x54 s VAL 74 Cb -0.18 -2.26 -0.09 0.00 0.00 0.00 0.00 36.38 33.85 2x54 s VAL 74 CO 0.16 0.49 1.25 0.00 0.00 0.00 0.00 175.10 176.99 2x54 s ALA 75 N 1.06 3.48 0.18 5.51 0.00 -1.26 -1.34 121.76 129.38 2x54 s ALA 75 Ca -0.00 1.06 0.09 0.00 0.00 0.00 0.00 51.96 53.11 2x54 s ALA 75 Cb -0.15 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 2x54 s ALA 75 CO -0.03 -0.45 -0.14 -0.51 0.00 0.00 0.00 175.76 174.63 2x54 s LEU 76 N -0.55 2.81 0.05 0.00 1.43 -0.31 -4.56 118.68 117.55 2x54 s LEU 76 Ca 0.53 -0.65 -0.23 0.00 -1.03 0.00 0.00 54.13 52.76 2x54 s LEU 76 Cb -0.35 -1.53 -0.06 0.00 0.03 0.00 0.00 46.19 44.28 2x54 s LEU 76 CO 0.40 0.12 0.69 -0.75 0.23 0.00 0.00 176.35 177.03 2x54 s LYS 77 N -2.71 4.41 0.07 1.70 2.20 -1.26 -4.84 119.74 119.32 2x54 s LYS 77 Ca 0.23 0.93 -0.31 0.00 -0.36 0.00 0.00 55.97 56.46 2x54 s LYS 77 Cb -0.09 -3.32 -0.07 0.00 -1.51 0.00 0.00 37.83 32.84 2x54 s LYS 77 CO 0.13 0.41 1.40 0.20 -0.36 0.00 0.00 175.35 177.13 2x54 s GLY 78 N -0.42 1.94 -1.24 5.54 0.00 -1.26 -3.82 107.32 108.06 2x54 s GLY 78 Ca 0.34 1.03 -0.09 0.00 0.00 0.00 0.00 44.72 46.01 2x54 s GLY 78 CO 0.21 2.41 0.70 1.34 0.00 0.00 0.00 173.10 177.76 2x54 n ASP 79 N 4.49 -3.08 -3.73 1.64 -0.08 -0.26 -4.89 116.55 110.64 2x54 n ASP 79 Ca 0.12 -0.93 -0.10 0.00 -1.51 0.00 0.00 54.79 52.38 2x54 n ASP 79 Cb 0.43 -3.69 -0.06 0.00 2.34 0.00 0.00 41.12 40.14 2x54 n ASP 79 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2x54 s SER 80 N -3.93 -0.10 -0.74 1.67 0.15 -1.12 -4.93 113.70 104.70 2x54 s SER 80 Ca 0.23 -0.46 -0.17 0.00 0.70 0.00 0.00 55.95 56.24 2x54 s SER 80 Cb -0.07 0.43 0.14 0.00 -1.71 0.00 0.00 66.02 64.81 2x54 s SER 80 CO 0.84 -0.81 0.82 -0.69 1.20 0.00 0.00 173.24 174.60 2x54 s VAL 81 N -3.83 5.04 0.38 4.45 1.01 -1.26 -1.65 120.40 124.53 2x54 s VAL 81 Ca 0.04 -1.58 -0.24 0.00 0.00 0.00 0.00 61.98 60.20 2x54 s VAL 81 Cb 0.03 -4.55 -0.10 0.00 0.00 0.00 0.00 36.38 31.76 2x54 s VAL 81 CO -0.11 -1.19 1.00 0.20 0.00 0.00 0.00 175.10 175.00 2x54 s ASN 82 N 3.21 6.95 -0.26 3.32 0.01 0.87 -4.74 114.94 124.30 2x54 s ASN 82 Ca 0.18 1.93 0.03 0.00 -0.71 0.00 0.00 52.86 54.29 2x54 s ASN 82 Cb -0.15 -2.58 0.06 0.00 0.41 0.00 0.00 41.25 38.99 2x54 s ASN 82 CO -0.02 -0.35 -0.11 -0.31 -1.51 0.00 0.00 177.10 174.80 2x54 s TYR 83 N -1.73 3.24 -0.28 2.20 2.02 0.24 -0.47 117.35 122.57 2x54 s TYR 83 Ca 0.56 -2.31 -0.28 0.00 -0.37 0.00 0.00 57.07 54.67 2x54 s TYR 83 Cb -0.19 -1.92 0.01 0.00 -0.40 0.00 0.00 41.96 39.46 2x54 s TYR 83 CO 0.24 -0.88 1.01 0.42 -1.57 0.00 0.00 175.55 174.77 2x54 s ILE 84 N 1.11 4.63 0.04 2.71 -1.09 0.32 -0.60 121.20 128.31 2x54 s ILE 84 Ca -0.09 1.75 0.04 0.00 -2.23 0.00 0.00 60.65 60.12 2x54 s ILE 84 Cb -0.20 -4.32 -0.04 0.00 -1.58 0.00 0.00 42.46 36.32 2x54 s ILE 84 CO -0.05 -0.32 -0.07 -1.00 -1.23 0.00 0.00 174.94 172.26 2x54 s HIS 85 N 3.35 2.85 -0.33 3.97 3.76 0.47 -2.07 115.29 127.29 2x54 s HIS 85 Ca 0.42 -0.08 -0.12 0.00 -0.15 0.00 0.00 55.06 55.14 2x54 s HIS 85 Cb -0.14 -1.55 -0.01 0.00 1.11 0.00 0.00 32.58 31.99 2x54 s HIS 85 CO 0.11 0.39 0.21 0.00 -0.85 0.00 0.00 174.74 174.60 2x54 s ALA 86 N -1.08 3.43 -0.31 -1.40 0.00 -0.34 -2.20 121.76 119.87 2x54 s ALA 86 Ca 0.19 -1.38 -0.08 0.00 0.00 0.00 0.00 51.96 50.69 2x54 s ALA 86 Cb -0.11 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.44 2x54 s ALA 86 CO 0.10 -0.94 0.12 -0.80 0.00 0.00 0.00 175.76 174.23 2x54 s ASN 87 N 1.69 5.34 -0.36 0.00 0.01 0.69 -2.62 114.94 119.68 2x54 s ASN 87 Ca 0.06 -0.65 -0.06 0.00 -0.71 0.00 0.00 52.86 51.49 2x54 s ASN 87 Cb -0.17 -1.94 0.05 0.00 0.41 0.00 0.00 41.25 39.60 2x54 s ASN 87 CO 0.09 -0.20 0.14 -0.63 -1.51 0.00 0.00 177.10 174.98 2x54 s ILE 88 N 1.55 3.78 -0.34 0.60 1.01 -0.15 -0.99 121.20 126.66 2x54 s ILE 88 Ca 0.03 -1.28 0.02 0.00 0.00 0.00 0.00 60.65 59.42 2x54 s ILE 88 Cb -0.17 -3.22 0.09 0.00 0.01 0.00 0.00 42.46 39.17 2x54 s ILE 88 CO 0.04 -0.28 0.06 -0.62 0.00 0.00 0.00 174.94 174.14 2x54 s ASP 89 N 1.57 4.86 0.64 3.58 2.15 -0.28 -1.54 116.67 127.65 2x54 s ASP 89 Ca -0.00 -1.92 0.41 0.00 0.43 0.00 0.00 52.55 51.47 2x54 s ASP 89 Cb -0.20 -1.68 2.15 0.00 -0.30 0.00 0.00 42.92 42.89 2x54 s ASP 89 CO 0.02 -0.38 2.28 -0.07 -0.17 0.00 0.00 175.17 176.84 2x54 h LEU 90 N 7.78 0.00 -1.26 -1.34 3.38 -1.83 -2.54 115.31 119.50 2x54 h LEU 90 Ca -0.10 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 2x54 h LEU 90 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2x54 h LEU 90 CO 0.56 0.00 -0.21 0.71 0.09 0.00 0.00 178.44 179.59 2x54 h THR 91 N 0.00 1.22 -1.12 0.22 1.35 -1.94 -3.34 112.91 109.30 2x54 h THR 91 Ca -0.00 -1.00 -0.65 0.00 -0.55 0.00 0.00 66.41 64.21 2x54 h THR 91 Cb 0.13 1.35 -0.10 0.00 -1.73 0.00 0.00 68.15 67.80 2x54 h THR 91 CO 0.00 0.31 1.82 -1.10 -0.25 0.00 0.00 175.52 176.29 2x54 s GLN 92 N -4.56 3.82 0.46 4.72 -1.52 -0.96 -4.84 119.66 116.78 2x54 s GLN 92 Ca -0.05 -1.69 0.11 0.00 -1.95 0.00 0.00 55.36 51.78 2x54 s GLN 92 Cb 0.15 -5.41 1.04 0.00 -0.22 0.00 0.00 33.01 28.56 2x54 s GLN 92 CO 0.74 -2.18 2.09 1.79 -0.25 0.00 0.00 175.29 177.48 2x54 h THR 93 N 5.99 1.06 0.11 -0.19 1.35 -1.84 -2.20 112.91 117.20 2x54 h THR 93 Ca 0.33 -0.14 -0.15 0.00 -0.55 0.00 0.00 66.41 65.90 2x54 h THR 93 Cb 0.93 0.76 0.02 0.00 -1.73 0.00 0.00 68.15 68.13 2x54 h THR 93 CO 1.42 0.06 -0.66 0.00 -0.25 0.00 0.00 175.52 176.09 2x54 h ALA 94 N 1.85 -0.07 -2.59 6.62 0.00 -1.94 -3.42 119.26 119.71 2x54 h ALA 94 Ca 0.08 -0.65 -0.60 0.00 0.00 0.00 0.00 54.91 53.73 2x54 h ALA 94 Cb -0.01 0.08 -0.39 0.00 0.00 0.00 0.00 17.79 17.46 2x54 h ALA 94 CO -0.02 0.31 -0.85 -0.80 0.00 0.00 0.00 179.25 177.89 2x54 s ASN 95 N -6.83 2.49 0.20 0.00 0.01 -1.17 -5.00 114.94 104.64 2x54 s ASN 95 Ca -0.14 -3.29 -0.04 0.00 -0.71 0.00 0.00 52.86 48.67 2x54 s ASN 95 Cb 0.00 -0.80 0.14 0.00 0.41 0.00 0.00 41.25 41.00 2x54 s ASN 95 CO 0.81 -0.15 1.55 1.55 -1.51 0.00 0.00 177.10 179.35 2x54 h PRO 96 N 5.59 0.67 -5.57 -0.60 0.13 -1.60 -3.44 132.00 127.19 2x54 h PRO 96 Ca 0.23 -0.35 -0.59 0.00 -0.87 0.00 0.00 66.00 64.42 2x54 h PRO 96 Cb 0.86 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.91 2x54 h PRO 96 CO 0.48 0.96 -0.23 0.08 -0.23 0.00 0.00 178.00 179.06 2x54 s VAL 97 N -4.27 5.24 0.03 1.56 1.01 -1.26 -1.12 120.40 121.58 2x54 s VAL 97 Ca -0.08 0.74 0.01 0.00 0.00 0.00 0.00 61.98 62.64 2x54 s VAL 97 Cb 0.12 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 2x54 s VAL 97 CO 0.84 0.33 -0.06 -0.94 0.00 0.00 0.00 175.10 175.28 2x54 s SER 98 N 0.66 0.58 0.11 3.32 1.04 -0.16 -4.99 113.70 114.26 2x54 s SER 98 Ca 0.21 -0.45 0.05 0.00 0.48 0.00 0.00 55.95 56.24 2x54 s SER 98 Cb -0.14 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 2x54 s SER 98 CO 0.07 -0.19 0.01 -0.76 0.98 0.00 0.00 173.24 173.35 2x54 s LEU 99 N -1.27 3.47 -0.16 2.42 1.43 -1.26 -0.22 118.68 123.08 2x54 s LEU 99 Ca -0.10 -0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 2x54 s LEU 99 Cb -0.08 -2.18 0.05 0.00 0.03 0.00 0.00 46.19 44.00 2x54 s LEU 99 CO -0.00 0.16 0.42 -0.94 0.23 0.00 0.00 176.35 176.22 2x54 s SER 100 N -2.44 -0.46 -0.40 2.29 1.04 -0.94 -4.98 113.70 107.81 2x54 s SER 100 Ca 0.26 0.86 -0.15 0.00 0.48 0.00 0.00 55.95 57.41 2x54 s SER 100 Cb -0.11 0.84 0.02 0.00 0.10 0.00 0.00 66.02 66.86 2x54 s SER 100 CO 0.19 -0.16 0.30 0.00 0.98 0.00 0.00 173.24 174.55 2x54 s ALA 101 N 0.55 3.48 0.24 5.32 0.00 -1.26 -0.39 121.76 129.70 2x54 s ALA 101 Ca -0.03 -1.67 0.08 0.00 0.00 0.00 0.00 51.96 50.35 2x54 s ALA 101 Cb -0.04 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 2x54 s ALA 101 CO -0.03 -1.40 0.06 -1.21 0.00 0.00 0.00 175.76 173.17 2x54 s GLU 102 N 1.71 2.51 0.15 0.00 2.02 0.23 -4.83 118.70 120.50 2x54 s GLU 102 Ca 0.05 -1.23 -0.16 0.00 0.02 0.00 0.00 54.97 53.66 2x54 s GLU 102 Cb -0.19 -2.33 0.02 0.00 0.10 0.00 0.00 34.13 31.73 2x54 s GLU 102 CO 0.10 0.40 1.78 1.79 0.02 0.00 0.00 175.26 179.35 2x54 h THR 103 N 1.91 1.15 -2.92 3.63 1.35 -1.87 0.70 112.91 116.86 2x54 h THR 103 Ca -0.46 -0.35 -0.45 0.00 -0.55 0.00 0.00 66.41 64.60 2x54 h THR 103 Cb 1.23 0.58 -0.14 0.00 -1.73 0.00 0.00 68.15 68.10 2x54 h THR 103 CO 0.60 0.15 -0.64 0.00 -0.25 0.00 0.00 175.52 175.38 2x54 s ALA 104 N -5.95 2.22 -0.58 6.62 0.00 -1.26 -4.72 121.76 118.09 2x54 s ALA 104 Ca -0.13 -1.95 -0.27 0.00 0.00 0.00 0.00 51.96 49.61 2x54 s ALA 104 Cb 0.11 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.74 2x54 s ALA 104 CO 0.74 -0.24 1.59 1.21 0.00 0.00 0.00 175.76 179.06 2x54 s ASN 105 N -3.43 5.81 -0.71 0.00 3.84 -1.26 -4.81 114.94 114.37 2x54 s ASN 105 Ca 0.33 0.30 -0.00 0.00 0.21 0.00 0.00 52.86 53.70 2x54 s ASN 105 Cb 0.07 -2.54 0.39 0.00 -0.55 0.00 0.00 41.25 38.61 2x54 s ASN 105 CO 0.13 -1.96 1.80 0.59 -2.79 0.00 0.00 177.10 174.87 2x54 n ASN 106 N 10.74 6.86 -4.61 -4.21 3.02 -1.26 -5.00 115.26 120.79 2x54 n ASN 106 Ca 0.15 -3.80 -0.43 0.00 -0.03 0.00 0.00 54.58 50.47 2x54 n ASN 106 Cb 0.50 -0.89 -0.02 0.00 -0.61 0.00 0.00 39.78 38.75 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 -1.84 6.47 -0.01 6.41 0.01 -1.26 -4.65 113.70 118.83 2x54 s SER 107 Ca 0.53 1.00 -0.00 0.00 1.31 0.00 0.00 55.95 58.79 2x54 s SER 107 Cb 0.44 -2.54 -0.26 0.00 0.21 0.00 0.00 66.02 63.87 2x54 s SER 107 CO -0.28 -1.29 0.81 -0.55 0.41 0.00 0.00 173.24 172.34 2x54 h ASN 108 N 10.15 0.31 -2.72 2.44 7.08 -1.70 -3.49 115.58 127.64 2x54 h ASN 108 Ca -0.27 -0.46 -0.22 0.00 -3.08 0.00 0.00 56.30 52.27 2x54 h ASN 108 Cb 1.10 -0.10 0.04 0.00 -2.08 0.00 0.00 38.32 37.28 2x54 h ASN 108 CO 1.06 1.39 -0.33 0.61 -2.08 0.00 0.00 177.43 178.08 2x54 n GLY 109 N 1.66 0.04 3.70 9.14 0.00 -1.25 -5.00 105.19 113.48 2x54 n GLY 109 Ca -0.17 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.90 3.60 -0.73 1.61 1.01 -1.26 -4.79 120.40 116.93 2x54 s VAL 110 Ca 0.18 1.07 -0.26 0.00 0.00 0.00 0.00 61.98 62.96 2x54 s VAL 110 Cb -0.08 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2x54 s VAL 110 CO 0.22 0.04 1.59 -0.62 0.00 0.00 0.00 175.10 176.33 2x54 s ASP 111 N 1.55 5.74 0.01 3.32 -1.08 -1.26 -4.71 116.67 120.25 2x54 s ASP 111 Ca 0.64 -0.26 0.09 0.00 -0.52 0.00 0.00 52.55 52.49 2x54 s ASP 111 Cb -0.33 -2.55 -0.23 0.00 -1.46 0.00 0.00 42.92 38.35 2x54 s ASP 111 CO 0.28 -2.11 0.88 0.16 0.52 0.00 0.00 175.17 174.90 2x54 h ILE 112 N 6.57 1.16 0.00 4.11 3.07 -1.87 -2.59 117.51 127.97 2x54 h ILE 112 Ca -0.19 -2.95 -0.08 0.00 1.55 0.00 0.00 64.86 63.20 2x54 h ILE 112 Cb 1.09 2.60 -0.01 0.00 -0.27 0.00 0.00 36.82 40.22 2x54 h ILE 112 CO 1.26 0.69 -0.38 0.78 -1.05 0.00 0.00 178.15 179.46 2x54 h ASN 113 N 0.01 0.00 0.00 2.16 2.35 -1.88 -3.37 115.58 114.84 2x54 h ASN 113 Ca -0.19 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.28 2x54 h ASN 113 Cb 1.93 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 40.26 2x54 h ASN 113 CO 0.10 0.38 -1.90 0.59 -1.65 0.00 0.00 177.43 174.96 2x54 n ASN 114 N -3.67 1.39 -3.94 5.81 3.02 -1.26 -4.82 115.26 111.80 2x54 n ASN 114 Ca -0.01 0.24 -0.19 0.00 -0.03 0.00 0.00 54.58 54.60 2x54 n ASN 114 Cb 0.48 -0.57 -0.01 0.00 -0.61 0.00 0.00 39.78 39.07 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 1.83 2.96 3.94 7.41 0.00 -0.97 -5.15 105.19 115.20 2x54 n GLY 115 Ca -0.34 -2.27 -0.25 0.00 0.00 0.00 0.00 46.02 43.16 2x54 n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x54 s SER 116 N -3.18 5.02 0.00 1.61 1.04 -1.26 -4.12 113.70 112.81 2x54 s SER 116 Ca 0.19 0.39 0.00 0.00 0.48 0.00 0.00 55.95 57.01 2x54 s SER 116 Cb -0.01 -1.14 0.00 0.00 0.10 0.00 0.00 66.02 64.96 2x54 s SER 116 CO 0.12 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.53 2x54 n GLY 117 N -2.75 1.66 3.43 7.32 0.00 -1.26 -4.78 105.19 108.82 2x54 n GLY 117 Ca 0.07 -2.19 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.43 3.86 -0.28 1.61 1.01 -1.26 -4.56 120.40 119.35 2x54 s VAL 118 Ca 0.00 -0.35 -0.19 0.00 0.00 0.00 0.00 61.98 61.44 2x54 s VAL 118 Cb 0.00 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 2x54 s VAL 118 CO 0.00 0.43 0.59 -0.22 0.00 0.00 0.00 175.10 175.91 2x54 s LEU 119 N 0.98 4.10 -0.15 3.92 2.96 -0.59 -4.71 118.68 125.20 2x54 s LEU 119 Ca 0.01 0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 54.42 2x54 s LEU 119 Cb -0.14 -2.77 -0.02 0.00 0.50 0.00 0.00 46.19 43.76 2x54 s LEU 119 CO 0.01 -0.39 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.02 2x54 s LYS 120 N 2.48 3.47 -0.18 1.98 1.02 -1.26 -0.98 119.74 126.27 2x54 s LYS 120 Ca 0.24 -0.63 -0.08 0.00 0.02 0.00 0.00 55.97 55.52 2x54 s LYS 120 Cb -0.15 -2.75 0.07 0.00 -0.52 0.00 0.00 37.83 34.48 2x54 s LYS 120 CO 0.10 0.18 0.40 0.54 -0.92 0.00 0.00 175.35 175.66 2x54 s VAL 121 N 0.46 -0.33 0.19 3.17 0.11 -1.08 -1.84 120.40 121.08 2x54 s VAL 121 Ca -0.07 0.14 -0.30 0.00 -2.93 0.00 0.00 61.98 58.82 2x54 s VAL 121 Cb -0.15 -0.62 -0.08 0.00 -1.53 0.00 0.00 36.38 34.00 2x54 s VAL 121 CO 0.04 0.06 1.01 0.00 -3.33 0.00 0.00 175.10 172.87 2x54 n PHE 123 N 2.04 0.00 -3.80 0.00 1.16 -0.88 -4.82 117.46 111.16 2x54 n PHE 123 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.45 2x54 n PHE 123 Cb 0.47 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.19 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 -1.83 -0.01 -0.25 5.98 2.15 -1.24 -0.70 116.67 120.77 2x54 s ASP 124 Ca 0.00 0.11 -0.06 0.00 0.43 0.00 0.00 52.55 53.03 2x54 s ASP 124 Cb 0.00 0.05 -0.01 0.00 -0.30 0.00 0.00 42.92 42.65 2x54 s ASP 124 CO 0.00 -0.09 0.05 -0.63 -0.17 0.00 0.00 175.17 174.33 2x54 s ILE 125 N 0.66 4.00 -0.29 4.11 1.01 0.70 -0.52 121.20 130.87 2x54 s ILE 125 Ca -0.05 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.17 2x54 s ILE 125 Cb -0.07 -2.91 0.03 0.00 0.01 0.00 0.00 42.46 39.51 2x54 s ILE 125 CO -0.02 0.29 0.03 -0.69 0.00 0.00 0.00 174.94 174.55 2x54 s VAL 126 N 1.55 3.43 -0.24 2.92 1.01 0.38 -0.85 120.40 128.60 2x54 s VAL 126 Ca 0.05 -1.00 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 2x54 s VAL 126 Cb -0.15 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 2x54 s VAL 126 CO 0.02 0.03 0.53 -0.89 0.00 0.00 0.00 175.10 174.79 2x54 s THR 127 N 1.38 5.07 0.27 3.92 2.01 0.00 -0.09 115.64 128.20 2x54 s THR 127 Ca -0.00 0.94 0.10 0.00 0.31 0.00 0.00 61.69 63.04 2x54 s THR 127 Cb -0.18 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 2x54 s THR 127 CO -0.00 0.10 -0.16 0.42 -0.69 0.00 0.00 174.62 174.29 2x54 s THR 128 N 2.14 2.22 0.00 -0.82 -4.23 -0.66 -1.22 115.64 113.07 2x54 s THR 128 Ca 0.23 -2.32 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 2x54 s THR 128 Cb -0.16 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.38 2x54 s THR 128 CO 0.09 -0.41 0.00 -1.54 -0.54 0.00 0.00 174.62 172.22 2x54 n SER 129 N -0.59 1.22 0.04 3.99 3.41 -0.32 -2.78 113.62 118.59 2x54 n SER 129 Ca -0.06 -0.83 -0.04 0.00 -0.26 0.00 0.00 58.87 57.69 2x54 n SER 129 Cb 0.61 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.74 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 0.44 0.00 5.00 0.00 -1.93 -0.67 103.07 105.91 2x54 h GLY 130 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2x54 h GLY 130 CO 0.00 0.37 -0.25 -0.91 0.00 0.00 0.00 176.54 175.74 2x54 h THR 131 N 0.34 0.00 -1.47 4.70 1.35 -1.96 -3.45 112.91 112.42 2x54 h THR 131 Ca 0.04 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 2x54 h THR 131 Cb 0.80 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.22 2x54 h THR 131 CO 0.06 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 2x54 n GLY 132 N 1.70 3.80 3.70 5.82 0.00 -1.26 -3.64 105.19 115.31 2x54 n GLY 132 Ca -0.04 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.08 3.56 -0.25 1.61 1.01 -1.15 -1.18 120.40 121.92 2x54 s VAL 133 Ca 0.00 1.06 -0.17 0.00 0.00 0.00 0.00 61.98 62.87 2x54 s VAL 133 Cb 0.00 -3.68 -0.15 0.00 0.00 0.00 0.00 36.38 32.55 2x54 s VAL 133 CO 0.00 0.05 -0.09 0.35 0.00 0.00 0.00 175.10 175.41 2x54 n THR 134 N 4.24 1.53 -3.65 3.92 -2.24 -0.36 -4.91 114.28 112.81 2x54 n THR 134 Ca 0.12 -0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.54 2x54 n THR 134 Cb 0.43 -1.95 -0.07 0.00 -2.10 0.00 0.00 70.33 66.64 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 -7.20 -0.34 -0.04 3.42 1.04 -1.03 -5.05 113.70 104.50 2x54 s SER 135 Ca -0.34 0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.26 2x54 s SER 135 Cb 0.11 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2x54 s SER 135 CO 0.54 -0.62 -0.12 0.28 0.98 0.00 0.00 173.24 174.30 2x54 s THR 136 N -2.04 1.02 -0.10 2.02 -1.32 -1.26 -0.82 115.64 113.14 2x54 s THR 136 Ca -0.08 -0.47 -0.00 0.00 -1.21 0.00 0.00 61.69 59.93 2x54 s THR 136 Cb -0.02 -0.90 0.02 0.00 -1.51 0.00 0.00 72.50 70.10 2x54 s THR 136 CO 0.01 0.31 -0.08 -0.75 -2.21 0.00 0.00 174.62 171.91 2x54 s LYS 137 N 0.26 1.47 0.28 7.08 2.20 -0.03 -5.00 119.74 125.99 2x54 s LYS 137 Ca -0.06 -0.24 -0.19 0.00 -0.36 0.00 0.00 55.97 55.12 2x54 s LYS 137 Cb -0.11 -1.51 -0.09 0.00 -1.51 0.00 0.00 37.83 34.62 2x54 s LYS 137 CO 0.01 -0.23 0.76 -1.25 -0.36 0.00 0.00 175.35 174.28 2x54 s PRO 138 N 1.59 4.20 0.21 4.03 0.04 -1.26 -0.21 135.00 143.59 2x54 s PRO 138 Ca 0.02 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 61.62 2x54 s PRO 138 Cb -0.13 -2.69 -0.09 0.00 0.04 0.00 0.00 34.50 31.63 2x54 s PRO 138 CO -0.06 0.28 1.39 0.42 0.04 0.00 0.00 177.00 179.07 2x54 s ILE 139 N -1.72 2.97 0.20 0.56 -1.09 0.13 -4.91 121.20 117.33 2x54 s ILE 139 Ca 0.48 0.78 -0.32 0.00 -2.23 0.00 0.00 60.65 59.36 2x54 s ILE 139 Cb -0.14 -3.50 -0.12 0.00 -1.58 0.00 0.00 42.46 37.12 2x54 s ILE 139 CO 0.20 0.11 1.71 1.33 -1.23 0.00 0.00 174.94 177.05 2x54 n VAL 140 N 2.78 0.02 -2.82 2.92 0.24 -1.26 -4.94 118.33 115.27 2x54 n VAL 140 Ca 0.08 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.94 2x54 n VAL 140 Cb 0.41 -1.91 -0.03 0.00 -1.47 0.00 0.00 33.84 30.84 2x54 n VAL 140 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2x54 s GLN 141 N 1.21 3.48 0.07 7.34 -0.21 -1.26 -4.74 119.66 125.55 2x54 s GLN 141 Ca 0.76 -1.37 -0.31 0.00 0.02 0.00 0.00 55.36 54.47 2x54 s GLN 141 Cb -0.53 -4.85 -0.07 0.00 1.00 0.00 0.00 33.01 28.56 2x54 s GLN 141 CO 0.33 -1.89 1.39 0.99 -2.12 0.00 0.00 175.29 173.99 2x54 s THR 142 N 3.60 3.50 -0.44 -0.19 2.01 -1.26 -5.02 115.64 117.84 2x54 s THR 142 Ca 0.34 1.02 0.03 0.00 0.31 0.00 0.00 61.69 63.39 2x54 s THR 142 Cb -0.06 -3.65 0.12 0.00 0.01 0.00 0.00 72.50 68.92 2x54 s THR 142 CO -0.05 0.05 0.19 -0.44 -0.69 0.00 0.00 174.62 173.68 2x54 s SER 143 N 1.44 4.34 -0.23 3.53 0.01 -1.26 -4.60 113.70 116.92 2x54 s SER 143 Ca 0.64 -2.63 -0.27 0.00 1.31 0.00 0.00 55.95 55.00 2x54 s SER 143 Cb -0.34 -1.51 0.00 0.00 0.21 0.00 0.00 66.02 64.38 2x54 s SER 143 CO 0.29 -0.29 0.97 -0.89 0.41 0.00 0.00 173.24 173.73 2x54 s THR 144 N 0.26 4.73 0.10 1.44 2.01 0.62 -5.03 115.64 119.78 2x54 s THR 144 Ca 0.15 1.87 0.04 0.00 0.31 0.00 0.00 61.69 64.06 2x54 s THR 144 Cb -0.23 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.00 2x54 s THR 144 CO -0.04 -0.14 -0.11 -0.76 -0.69 0.00 0.00 174.62 172.88 2x54 s LEU 145 N 3.08 2.41 -0.15 4.42 1.43 -1.26 -4.54 118.68 124.07 2x54 s LEU 145 Ca 0.41 -0.83 -0.16 0.00 -1.03 0.00 0.00 54.13 52.53 2x54 s LEU 145 Cb -0.15 -0.35 -0.13 0.00 0.03 0.00 0.00 46.19 45.59 2x54 s LEU 145 CO 0.06 -0.25 0.19 -0.78 0.23 0.00 0.00 176.35 175.81 2x54 h ASP 146 N 3.50 0.00 -4.48 2.29 1.82 -2.01 -3.49 116.42 114.05 2x54 h ASP 146 Ca -0.38 -0.38 -0.13 0.00 -0.39 0.00 0.00 57.03 55.75 2x54 h ASP 146 Cb 1.19 0.00 -0.22 0.00 0.68 0.00 0.00 39.33 40.98 2x54 h ASP 146 CO 0.53 1.00 -0.32 -0.55 -1.61 0.00 0.00 179.24 178.29 2x54 s SER 147 N -6.17 -0.24 -0.09 2.28 0.15 -1.26 -5.17 113.70 103.21 2x54 s SER 147 Ca -0.17 0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.82 2x54 s SER 147 Cb 0.02 0.46 0.01 0.00 -1.71 0.00 0.00 66.02 64.79 2x54 s SER 147 CO 0.40 -0.29 -0.16 -0.63 1.20 0.00 0.00 173.24 173.75 2x54 s ILE 148 N -0.66 1.50 -0.45 6.45 1.01 -1.26 -5.10 121.20 122.68 2x54 s ILE 148 Ca -0.08 -0.68 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 2x54 s ILE 148 Cb -0.04 -1.34 0.12 0.00 0.01 0.00 0.00 42.46 41.20 2x54 s ILE 148 CO 0.02 0.44 0.31 -0.55 0.00 0.00 0.00 174.94 175.16 2x54 s SER 149 N 0.66 5.60 0.06 3.58 0.15 -1.26 -5.09 113.70 117.41 2x54 s SER 149 Ca -0.14 -1.92 0.09 0.00 0.70 0.00 0.00 55.95 54.69 2x54 s SER 149 Cb -0.16 -1.97 -0.03 0.00 -1.71 0.00 0.00 66.02 62.15 2x54 s SER 149 CO 0.04 -0.65 -0.24 0.54 1.20 0.00 0.00 173.24 174.12 2x54 s VAL 150 N 1.32 1.97 -0.07 4.45 0.11 -1.26 -5.08 120.40 121.84 2x54 s VAL 150 Ca 0.06 -1.41 -0.00 0.00 -2.93 0.00 0.00 61.98 57.70 2x54 s VAL 150 Cb -0.25 -1.71 -0.00 0.00 -1.53 0.00 0.00 36.38 32.88 2x54 s VAL 150 CO -0.01 0.23 -0.01 0.78 -3.33 0.00 0.00 175.10 172.76 2x54 h ASN 151 N 4.60 0.00 -4.49 3.54 2.35 -2.09 -3.48 115.58 116.00 2x54 h ASN 151 Ca -0.46 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 54.89 2x54 h ASN 151 Cb 1.16 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 39.31 2x54 h ASN 151 CO 0.43 0.36 -0.78 -1.81 -1.65 0.00 0.00 177.43 173.98 2x54 s ASP 152 N -4.78 1.62 0.02 5.81 1.01 -1.26 -5.17 116.67 113.92 2x54 s ASP 152 Ca -0.01 -0.61 0.00 0.00 0.71 0.00 0.00 52.55 52.65 2x54 s ASP 152 Cb 0.00 -0.05 -0.02 0.00 1.01 0.00 0.00 42.92 43.87 2x54 s ASP 152 CO 0.01 -0.08 -0.04 -0.32 0.21 0.00 0.00 175.17 174.95 2x54 s MET 153 N -1.71 0.32 -0.12 8.23 1.75 -1.26 -5.15 119.30 121.36 2x54 s MET 153 Ca -0.02 -0.54 -0.02 0.00 -1.25 0.00 0.00 55.69 53.86 2x54 s MET 153 Cb -0.10 -0.00 0.04 0.00 2.84 0.00 0.00 34.83 37.61 2x54 s MET 153 CO 0.02 -0.02 0.01 0.99 -0.65 0.00 0.00 175.02 175.37 2x54 s THR 154 N -1.20 0.48 -0.15 10.11 2.01 -1.26 -5.14 115.64 120.49 2x54 s THR 154 Ca -0.12 -0.18 -0.03 0.00 0.31 0.00 0.00 61.69 61.67 2x54 s THR 154 Cb -0.08 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 2x54 s THR 154 CO -0.01 0.08 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.26 2x54 s VAL 155 N 1.91 3.73 -0.13 3.82 1.01 -1.26 -5.02 120.40 124.46 2x54 s VAL 155 Ca 0.03 -0.42 0.18 0.00 0.00 0.00 0.00 61.98 61.77 2x54 s VAL 155 Cb -0.14 -2.62 -0.23 0.00 0.00 0.00 0.00 36.38 33.39 2x54 s VAL 155 CO -0.07 0.50 0.46 -1.54 0.00 0.00 0.00 175.10 174.45 2x54 n SER 156 N 3.56 0.35 0.00 3.32 3.41 -1.26 -4.90 113.62 118.10 2x54 n SER 156 Ca -0.18 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2x54 n SER 156 Cb 0.52 0.85 0.00 0.00 -0.26 0.00 0.00 64.21 65.33 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 1.51 0.16 3.58 5.00 0.00 -1.26 -5.15 105.19 109.03 2x54 n GLY 157 Ca -0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.00 -0.69 -0.15 1.61 0.01 -1.26 -5.17 113.70 107.05 2x54 s SER 158 Ca 0.00 1.07 -0.14 0.00 1.31 0.00 0.00 55.95 58.20 2x54 s SER 158 Cb 0.00 1.00 -0.05 0.00 0.21 0.00 0.00 66.02 67.18 2x54 s SER 158 CO 0.00 -0.42 0.30 -0.63 0.41 0.00 0.00 173.24 172.90 2x54 s ILE 159 N -0.38 5.30 -0.56 1.44 1.01 -1.26 -5.07 121.20 121.68 2x54 s ILE 159 Ca -0.05 0.56 -0.16 0.00 0.00 0.00 0.00 60.65 61.00 2x54 s ILE 159 Cb -0.03 -3.63 0.14 0.00 0.01 0.00 0.00 42.46 38.95 2x54 s ILE 159 CO 0.05 0.41 0.51 -0.62 0.00 0.00 0.00 174.94 175.29 2x54 s ASP 160 N 0.33 6.21 0.01 3.58 -1.08 -1.26 -5.07 116.67 119.38 2x54 s ASP 160 Ca 0.17 -1.85 -0.05 0.00 -0.52 0.00 0.00 52.55 50.30 2x54 s ASP 160 Cb -0.13 -2.20 -0.04 0.00 -1.46 0.00 0.00 42.92 39.08 2x54 s ASP 160 CO 0.04 -0.83 0.24 0.68 0.52 0.00 0.00 175.17 175.82 2x54 s VAL 161 N 1.50 5.35 0.18 1.11 -7.23 -1.26 -5.07 120.40 114.98 2x54 s VAL 161 Ca 0.04 0.02 -0.32 0.00 -1.81 0.00 0.00 61.98 59.92 2x54 s VAL 161 Cb -0.29 -3.56 -0.11 0.00 0.56 0.00 0.00 36.38 32.99 2x54 s VAL 161 CO 0.02 0.33 1.62 -2.84 -0.31 0.00 0.00 175.10 173.92 2x54 s PRO 162 N -1.88 4.18 -0.09 4.82 0.02 -1.26 -4.73 135.00 136.07 2x54 s PRO 162 Ca 0.28 2.45 -0.02 0.00 0.02 0.00 0.00 61.00 63.72 2x54 s PRO 162 Cb -0.13 -3.13 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 2x54 s PRO 162 CO 0.18 -0.66 0.01 0.08 -0.33 0.00 0.00 177.00 176.28 2x54 s VAL 163 N 1.15 4.38 -0.06 3.83 1.01 -1.26 -1.70 120.40 127.75 2x54 s VAL 163 Ca 0.72 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.48 2x54 s VAL 163 Cb -0.46 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.10 2x54 s VAL 163 CO 0.32 0.61 -0.05 -1.10 0.00 0.00 0.00 175.10 174.87 2x54 s GLN 164 N -0.88 0.97 0.02 2.72 -0.21 0.92 -4.99 119.66 118.20 2x54 s GLN 164 Ca 0.13 -0.12 0.02 0.00 0.02 0.00 0.00 55.36 55.42 2x54 s GLN 164 Cb -0.11 -1.01 -0.04 0.00 1.00 0.00 0.00 33.01 32.85 2x54 s GLN 164 CO 0.02 -0.13 -0.02 0.95 -2.12 0.00 0.00 175.29 174.00 2x54 s THR 165 N 1.15 4.01 -0.14 -0.19 -4.23 -1.26 -0.23 115.64 114.75 2x54 s THR 165 Ca -0.07 -0.72 -0.12 0.00 -1.18 0.00 0.00 61.69 59.61 2x54 s THR 165 Cb -0.14 -2.80 0.04 0.00 1.34 0.00 0.00 72.50 70.94 2x54 s THR 165 CO -0.01 0.33 0.36 -0.22 -0.54 0.00 0.00 174.62 174.54 2x54 s LEU 166 N -1.67 0.56 -0.44 4.79 2.96 -0.54 -5.01 118.68 119.34 2x54 s LEU 166 Ca 0.20 0.73 0.02 0.00 -0.22 0.00 0.00 54.13 54.86 2x54 s LEU 166 Cb -0.11 1.21 0.13 0.00 0.50 0.00 0.00 46.19 47.92 2x54 s LEU 166 CO 0.11 -0.13 0.23 -0.89 -1.32 0.00 0.00 176.35 174.35 2x54 s THR 167 N 0.35 1.40 -0.21 3.68 2.01 -1.26 -0.43 115.64 121.18 2x54 s THR 167 Ca -0.01 -2.52 -0.16 0.00 0.31 0.00 0.00 61.69 59.30 2x54 s THR 167 Cb -0.03 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 2x54 s THR 167 CO -0.01 -0.89 0.41 -0.69 -0.69 0.00 0.00 174.62 172.75 2x54 s VAL 168 N 0.39 5.19 -0.93 3.82 1.01 -1.03 -4.94 120.40 123.91 2x54 s VAL 168 Ca 0.17 0.72 -0.21 0.00 0.00 0.00 0.00 61.98 62.66 2x54 s VAL 168 Cb -0.24 -3.74 0.09 0.00 0.00 0.00 0.00 36.38 32.49 2x54 s VAL 168 CO 0.00 0.24 1.24 -1.61 0.00 0.00 0.00 175.10 174.96 2x54 s GLU 169 N 1.41 3.53 0.54 2.72 0.41 -1.26 -2.10 118.70 123.95 2x54 s GLU 169 Ca 0.19 -1.36 0.26 0.00 -0.41 0.00 0.00 54.97 53.65 2x54 s GLU 169 Cb -0.15 -4.98 1.44 0.00 -1.78 0.00 0.00 34.13 28.66 2x54 s GLU 169 CO 0.08 -1.96 2.00 0.00 -0.49 0.00 0.00 175.26 174.89 2x54 h ALA 170 N 9.32 2.38 0.00 5.21 0.00 -1.58 0.34 119.26 134.92 2x54 h ALA 170 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2x54 h ALA 170 Cb 1.02 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2x54 h ALA 170 CO 1.24 -0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2x54 n GLY 171 N -1.60 1.44 3.97 0.00 0.00 -1.21 -1.60 105.19 106.19 2x54 n GLY 171 Ca 0.09 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.05 0.00 1.61 3.02 -1.26 -1.37 115.26 117.21 2x54 n ASN 172 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2x54 n ASN 172 Cb 0.00 -2.45 0.00 0.00 -0.61 0.00 0.00 39.78 36.72 2x54 n ASN 172 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x54 n GLY 173 N -1.98 1.39 3.81 7.41 0.00 -1.26 -0.41 105.19 114.16 2x54 n GLY 173 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 4.33 -0.05 0.99 2.96 -0.47 -0.34 118.68 126.11 2x54 s LEU 174 Ca 0.00 0.48 0.05 0.00 -0.22 0.00 0.00 54.13 54.44 2x54 s LEU 174 Cb 0.00 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 2x54 s LEU 174 CO 0.00 0.29 -0.19 -1.58 -1.32 0.00 0.00 176.35 173.55 2x54 s GLN 175 N -0.43 1.97 -0.08 1.98 0.74 0.61 -2.12 119.66 122.32 2x54 s GLN 175 Ca 0.15 -0.69 0.05 0.00 0.05 0.00 0.00 55.36 54.92 2x54 s GLN 175 Cb -0.13 -1.70 -0.00 0.00 1.10 0.00 0.00 33.01 32.28 2x54 s GLN 175 CO 0.04 0.28 -0.23 -0.51 -0.55 0.00 0.00 175.29 174.32 2x54 s LEU 176 N -0.03 2.04 -0.39 3.68 1.43 -0.89 -0.60 118.68 123.93 2x54 s LEU 176 Ca -0.03 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 2x54 s LEU 176 Cb -0.12 -1.33 0.10 0.00 0.03 0.00 0.00 46.19 44.87 2x54 s LEU 176 CO 0.02 0.18 0.16 -1.58 0.23 0.00 0.00 176.35 175.36 2x54 s GLN 177 N 0.19 2.09 -0.05 1.70 -0.44 0.30 -2.48 119.66 120.97 2x54 s GLN 177 Ca -0.13 -1.70 -0.10 0.00 -2.50 0.00 0.00 55.36 50.93 2x54 s GLN 177 Cb -0.16 -3.50 -0.05 0.00 -1.64 0.00 0.00 33.01 27.66 2x54 s GLN 177 CO 0.07 -0.97 0.27 -0.51 0.50 0.00 0.00 175.29 174.64 2x54 s LEU 178 N 1.17 4.43 -0.27 3.68 1.02 0.42 -0.43 118.68 128.70 2x54 s LEU 178 Ca 0.06 0.70 -0.03 0.00 0.02 0.00 0.00 54.13 54.88 2x54 s LEU 178 Cb -0.22 -2.35 0.09 0.00 0.02 0.00 0.00 46.19 43.72 2x54 s LEU 178 CO -0.03 0.36 0.09 -0.89 0.02 0.00 0.00 176.35 175.89 2x54 s THR 179 N -1.08 0.44 -0.25 5.49 2.01 -1.13 -1.47 115.64 119.66 2x54 s THR 179 Ca 0.20 -0.92 -0.12 0.00 0.31 0.00 0.00 61.69 61.16 2x54 s THR 179 Cb -0.14 -1.23 -0.05 0.00 0.01 0.00 0.00 72.50 71.09 2x54 s THR 179 CO 0.09 -0.55 0.23 -0.75 -0.69 0.00 0.00 174.62 172.95 2x54 s LYS 180 N 1.86 4.04 -0.08 4.92 2.20 0.68 -2.58 119.74 130.77 2x54 s LYS 180 Ca 0.06 -0.19 0.04 0.00 -0.36 0.00 0.00 55.97 55.53 2x54 s LYS 180 Cb -0.17 -3.59 -0.00 0.00 -1.51 0.00 0.00 37.83 32.56 2x54 s LYS 180 CO -0.23 -0.07 -0.22 0.15 -0.36 0.00 0.00 175.35 174.61 2x54 s LYS 181 N 1.44 2.60 -1.74 4.03 1.02 -0.78 -0.06 119.74 126.26 2x54 s LYS 181 Ca 0.10 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.28 2x54 s LYS 181 Cb -0.15 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 2x54 s LYS 181 CO 0.08 0.23 0.00 -1.71 -0.92 0.00 0.00 175.35 173.03 2x54 n ASN 182 N 3.33 -5.38 -2.24 2.83 5.15 -0.69 -3.11 115.26 115.16 2x54 n ASN 182 Ca -0.19 0.15 -0.15 0.00 -0.60 0.00 0.00 54.58 53.79 2x54 n ASN 182 Cb 0.53 -4.47 -0.02 0.00 -0.53 0.00 0.00 39.78 35.29 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 -1.41 -4.35 0.03 1.20 3.02 -1.26 -4.79 115.26 107.70 2x54 n ASN 183 Ca -0.21 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 2x54 n ASN 183 Cb 0.65 -3.73 0.00 0.00 -0.61 0.00 0.00 39.78 36.09 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 -1.64 0.02 -4.69 6.41 2.03 -1.18 -4.67 116.55 112.83 2x54 n ASP 184 Ca -0.17 0.10 -0.42 0.00 0.52 0.00 0.00 54.79 54.81 2x54 n ASP 184 Cb 0.60 0.06 -0.03 0.00 -0.72 0.00 0.00 41.12 41.04 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 -5.45 4.25 -0.07 -2.67 2.96 -1.20 -1.74 118.68 114.76 2x54 s LEU 185 Ca 0.00 1.51 0.03 0.00 -0.22 0.00 0.00 54.13 55.45 2x54 s LEU 185 Cb 0.00 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.17 2x54 s LEU 185 CO 0.00 -0.44 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.76 2x54 s VAL 186 N 1.98 1.27 -0.31 1.68 1.01 -0.93 -1.87 120.40 123.23 2x54 s VAL 186 Ca 0.48 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 2x54 s VAL 186 Cb -0.18 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 35.08 2x54 s VAL 186 CO 0.18 0.38 0.06 -0.63 0.00 0.00 0.00 175.10 175.09 2x54 s ILE 187 N 0.57 3.59 -0.15 2.22 1.01 -1.07 -2.28 121.20 125.10 2x54 s ILE 187 Ca -0.14 -1.01 -0.21 0.00 0.00 0.00 0.00 60.65 59.29 2x54 s ILE 187 Cb -0.16 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 2x54 s ILE 187 CO 0.04 -0.03 0.62 -0.69 0.00 0.00 0.00 174.94 174.89 2x54 s VAL 188 N 1.40 5.06 -0.24 2.92 1.01 0.46 -2.84 120.40 128.18 2x54 s VAL 188 Ca -0.01 1.21 -0.06 0.00 0.00 0.00 0.00 61.98 63.13 2x54 s VAL 188 Cb -0.18 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2x54 s VAL 188 CO 0.01 0.19 0.02 -0.13 0.00 0.00 0.00 175.10 175.19 2x54 s ARG 189 N 1.36 3.50 0.06 2.72 0.52 0.43 -1.37 118.95 126.17 2x54 s ARG 189 Ca 0.31 -0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 54.66 2x54 s ARG 189 Cb -0.16 -3.18 -0.05 0.00 0.52 0.00 0.00 34.95 32.08 2x54 s ARG 189 CO 0.12 -0.20 0.97 -0.06 0.02 0.00 0.00 175.30 176.15 2x54 s PHE 190 N 1.55 3.75 0.10 -0.53 0.08 0.33 -0.54 117.98 122.72 2x54 s PHE 190 Ca 0.06 1.76 -0.07 0.00 0.12 0.00 0.00 56.93 58.80 2x54 s PHE 190 Cb -0.15 -3.08 -0.01 0.00 -0.57 0.00 0.00 43.02 39.21 2x54 s PHE 190 CO 0.00 0.12 0.17 -0.06 -0.10 0.00 0.00 175.22 175.35 2x54 s PHE 191 N 0.41 0.32 0.00 0.36 0.08 0.23 -3.82 117.98 115.56 2x54 s PHE 191 Ca 0.49 -0.74 0.00 0.00 0.12 0.00 0.00 56.93 56.79 2x54 s PHE 191 Cb -0.22 -0.14 0.00 0.00 -0.57 0.00 0.00 43.02 42.09 2x54 s PHE 191 CO 0.29 -0.56 0.00 0.41 -0.10 0.00 0.00 175.22 175.26 2x54 n GLY 192 N -0.07 -0.87 2.92 4.36 0.00 -1.26 -0.29 105.19 109.98 2x54 n GLY 192 Ca -0.12 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.05 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 0.21 0.20 1.61 0.01 0.54 -2.19 113.70 110.08 2x54 s SER 193 Ca 0.00 0.10 -0.30 0.00 1.31 0.00 0.00 55.95 57.07 2x54 s SER 193 Cb 0.00 1.16 -0.08 0.00 0.21 0.00 0.00 66.02 67.31 2x54 s SER 193 CO 0.00 -0.31 1.08 0.54 0.41 0.00 0.00 173.24 174.96 2x54 s VAL 194 N 2.56 3.84 -0.05 3.43 0.11 -1.09 -4.25 120.40 124.95 2x54 s VAL 194 Ca 0.12 1.66 -0.13 0.00 -2.93 0.00 0.00 61.98 60.70 2x54 s VAL 194 Cb -0.15 -4.06 0.02 0.00 -1.53 0.00 0.00 36.38 30.67 2x54 s VAL 194 CO -0.20 0.32 0.30 -0.94 -3.33 0.00 0.00 175.10 171.25 2x54 s SER 195 N -0.37 -0.22 -0.81 3.54 1.04 0.46 -2.75 113.70 114.58 2x54 s SER 195 Ca 0.47 0.26 -0.02 0.00 0.48 0.00 0.00 55.95 57.14 2x54 s SER 195 Cb -0.29 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 2x54 s SER 195 CO 0.36 -0.32 0.75 0.59 0.98 0.00 0.00 173.24 175.59 2x54 n ASN 196 N 1.86 -7.48 -3.80 7.02 4.13 -0.37 -4.69 115.26 111.93 2x54 n ASN 196 Ca -0.19 -0.24 -0.13 0.00 1.68 0.00 0.00 54.58 55.71 2x54 n ASN 196 Cb 0.57 -5.21 -0.10 0.00 -1.54 0.00 0.00 39.78 33.49 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 -3.09 0.03 0.30 2.41 1.10 -0.75 -4.98 121.20 116.23 2x54 s ILE 197 Ca 0.11 -0.28 0.09 0.00 -0.51 0.00 0.00 60.65 60.06 2x54 s ILE 197 Cb -0.01 -0.45 -0.05 0.00 0.15 0.00 0.00 42.46 42.10 2x54 s ILE 197 CO 0.75 -0.15 0.00 -1.10 -2.11 0.00 0.00 174.94 172.33 2x54 s GLN 198 N -0.60 2.17 0.12 3.50 -0.21 -1.26 -0.47 119.66 122.90 2x54 s GLN 198 Ca -0.07 -1.59 -0.31 0.00 0.02 0.00 0.00 55.36 53.41 2x54 s GLN 198 Cb -0.04 -2.04 -0.08 0.00 1.00 0.00 0.00 33.01 31.85 2x54 s GLN 198 CO 0.02 0.24 1.37 -1.59 -2.12 0.00 0.00 175.29 173.21 2x54 s LYS 199 N -3.70 4.33 0.00 2.91 -2.85 -1.26 -2.91 119.74 116.26 2x54 s LYS 199 Ca 0.33 2.05 0.00 0.00 -1.00 0.00 0.00 55.97 57.36 2x54 s LYS 199 Cb -0.03 -3.25 0.00 0.00 -2.06 0.00 0.00 37.83 32.48 2x54 s LYS 199 CO 0.20 -0.41 0.00 0.41 0.10 0.00 0.00 175.35 175.64 2x54 n GLY 200 N 3.41 0.90 3.77 0.59 0.00 -0.15 -5.01 105.19 108.70 2x54 n GLY 200 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.56 3.68 0.35 1.61 0.52 -1.15 -4.83 118.94 115.57 2x54 s TRP 201 Ca 0.00 1.13 -0.28 0.00 0.02 0.00 0.00 56.10 56.98 2x54 s TRP 201 Cb 0.00 -2.54 -0.09 0.00 -1.15 0.00 0.00 33.47 29.69 2x54 s TRP 201 CO 0.00 0.40 1.24 1.21 0.02 0.00 0.00 176.95 179.82 2x54 s ASN 202 N -0.34 6.73 -0.14 2.95 2.47 -1.26 -2.02 114.94 123.33 2x54 s ASN 202 Ca 0.29 2.53 -0.28 0.00 0.42 0.00 0.00 52.86 55.82 2x54 s ASN 202 Cb -0.18 -2.64 -0.01 0.00 -1.45 0.00 0.00 41.25 36.98 2x54 s ASN 202 CO 0.16 -0.55 0.95 -0.04 -3.72 0.00 0.00 177.10 173.90 2x54 s MET 203 N -1.91 4.37 0.31 0.43 -1.94 -0.58 -4.90 119.30 115.06 2x54 s MET 203 Ca 0.51 1.26 0.03 0.00 -1.71 0.00 0.00 55.69 55.78 2x54 s MET 203 Cb -0.36 -3.56 0.78 0.00 2.01 0.00 0.00 34.83 33.70 2x54 s MET 203 CO 0.47 -0.34 1.59 0.66 -0.01 0.00 0.00 175.02 177.39 2x54 h SER 204 N 7.20 -0.30 0.00 3.03 4.64 -1.88 -3.45 113.55 122.79 2x54 h SER 204 Ca -0.29 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2x54 h SER 204 Cb 1.13 0.41 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 2x54 h SER 204 CO 0.86 -0.31 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 2x54 n GLY 205 N -1.44 -1.62 3.73 -0.77 0.00 -0.63 -4.92 105.19 99.53 2x54 n GLY 205 Ca 0.24 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 2x54 n GLY 205 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2x54 n THR 206 N -0.32 3.46 -3.51 2.61 -1.04 0.11 -4.77 114.28 110.81 2x54 n THR 206 Ca 0.00 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.05 61.26 2x54 n THR 206 Cb 0.00 -1.62 -0.02 0.00 -1.82 0.00 0.00 70.33 66.87 2x54 n THR 206 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 2x54 s TRP 207 N -1.28 3.49 0.12 -1.42 0.52 -1.26 -4.14 118.94 114.98 2x54 s TRP 207 Ca 0.69 0.34 -0.31 0.00 0.02 0.00 0.00 56.10 56.83 2x54 s TRP 207 Cb -0.44 -1.87 -0.08 0.00 -1.15 0.00 0.00 33.47 29.93 2x54 s TRP 207 CO 0.52 0.22 1.40 0.08 0.02 0.00 0.00 176.95 179.18 2x54 s VAL 208 N -2.16 3.25 0.59 4.03 1.01 0.19 -4.99 120.40 122.32 2x54 s VAL 208 Ca 0.39 0.91 -0.19 0.00 0.00 0.00 0.00 61.98 63.08 2x54 s VAL 208 Cb -0.10 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2x54 s VAL 208 CO 0.33 0.08 1.28 -1.81 0.00 0.00 0.00 175.10 174.97 2x54 s ASP 209 N 1.05 5.04 0.27 3.32 1.11 -1.26 -4.48 116.67 121.71 2x54 s ASP 209 Ca 0.64 2.58 -0.01 0.00 0.18 0.00 0.00 52.55 55.94 2x54 s ASP 209 Cb -0.37 -2.62 0.58 0.00 1.07 0.00 0.00 42.92 41.58 2x54 s ASP 209 CO 0.31 -1.71 1.71 -0.09 1.18 0.00 0.00 175.17 176.57 2x54 h ARG 210 N 0.97 0.39 0.00 8.23 2.43 -1.96 -1.59 114.38 122.85 2x54 h ARG 210 Ca -0.51 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 2x54 h ARG 210 Cb 1.31 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2x54 h ARG 210 CO 0.55 0.26 0.00 -2.30 -1.51 0.00 0.00 179.97 176.97 2x54 n PRO 211 N -5.04 0.13 0.00 0.20 -0.02 -1.26 -2.76 135.00 126.24 2x54 n PRO 211 Ca 0.18 0.37 0.07 0.00 -2.02 0.00 0.00 63.50 62.10 2x54 n PRO 211 Cb 0.53 -1.75 -0.04 0.00 -0.02 0.00 0.00 33.50 32.22 2x54 n PRO 211 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2x54 n PHE 212 N -1.99 0.00 -2.25 6.00 3.72 -0.65 -5.01 117.46 117.28 2x54 n PHE 212 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 2x54 n PHE 212 Cb 0.20 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 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 -2.05 4.39 0.67 -1.08 0.52 -0.88 -4.96 118.95 115.56 2x54 s ARG 213 Ca 0.09 2.01 -0.06 0.00 -0.52 0.00 0.00 55.73 57.24 2x54 s ARG 213 Cb 0.11 -3.23 0.05 0.00 0.52 0.00 0.00 34.95 32.40 2x54 s ARG 213 CO 0.47 -0.27 0.98 -1.25 0.02 0.00 0.00 175.30 175.24 2x54 s PRO 214 N 0.28 2.38 0.13 3.54 0.04 -1.26 -4.92 135.00 135.19 2x54 s PRO 214 Ca 0.58 -0.22 -0.11 0.00 0.04 0.00 0.00 61.00 61.29 2x54 s PRO 214 Cb -0.35 -2.21 -0.07 0.00 0.04 0.00 0.00 34.50 31.91 2x54 s PRO 214 CO 0.35 -1.09 1.43 0.00 0.04 0.00 0.00 177.00 177.73 2x54 h ALA 215 N -0.47 0.50 -2.04 8.56 0.00 -1.74 -3.39 119.26 120.69 2x54 h ALA 215 Ca -0.44 -0.50 -0.50 0.00 0.00 0.00 0.00 54.91 53.46 2x54 h ALA 215 Cb 1.30 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.86 2x54 h ALA 215 CO 0.60 0.68 -0.66 0.00 0.00 0.00 0.00 179.25 179.87 2x54 s ALA 216 N -4.19 2.43 -0.09 0.00 0.00 -1.26 -4.75 121.76 113.89 2x54 s ALA 216 Ca -0.11 -1.96 -0.29 0.00 0.00 0.00 0.00 51.96 49.60 2x54 s ALA 216 Cb 0.10 0.24 -0.06 0.00 0.00 0.00 0.00 23.12 23.41 2x54 s ALA 216 CO 0.89 -0.10 1.84 0.54 0.00 0.00 0.00 175.76 178.93 2x54 s VAL 217 N -3.02 3.32 -0.32 0.00 0.11 -1.26 -4.55 120.40 114.68 2x54 s VAL 217 Ca 0.31 0.38 -0.12 0.00 -2.93 0.00 0.00 61.98 59.62 2x54 s VAL 217 Cb 0.05 -3.29 -0.02 0.00 -1.53 0.00 0.00 36.38 31.59 2x54 s VAL 217 CO 0.13 -0.09 0.21 -1.10 -3.33 0.00 0.00 175.10 170.92 2x54 s GLN 218 N 4.70 3.51 -0.46 1.54 -1.52 -0.94 -4.92 119.66 121.57 2x54 s GLN 218 Ca 0.82 -0.62 -0.25 0.00 -1.95 0.00 0.00 55.36 53.37 2x54 s GLN 218 Cb -0.34 -3.72 0.03 0.00 -0.22 0.00 0.00 33.01 28.75 2x54 s GLN 218 CO 0.34 -0.40 0.88 -1.12 -0.25 0.00 0.00 175.29 174.74 2x54 s SER 219 N 1.70 6.46 -0.20 5.90 0.01 -1.26 -1.86 113.70 124.44 2x54 s SER 219 Ca 0.06 0.01 -0.02 0.00 1.31 0.00 0.00 55.95 57.31 2x54 s SER 219 Cb -0.17 -2.43 -0.00 0.00 0.21 0.00 0.00 66.02 63.63 2x54 s SER 219 CO 0.09 -1.02 -0.09 -0.76 0.41 0.00 0.00 173.24 171.87 2x54 s LEU 220 N 3.62 2.66 0.05 2.44 1.43 -0.92 -4.96 118.68 122.99 2x54 s LEU 220 Ca 0.34 -0.46 -0.25 0.00 -1.03 0.00 0.00 54.13 52.73 2x54 s LEU 220 Cb -0.11 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 2x54 s LEU 220 CO 0.25 -0.00 0.79 -0.69 0.23 0.00 0.00 176.35 176.92 2x54 s VAL 221 N 1.34 4.72 0.42 -1.59 1.01 -1.26 -1.59 120.40 123.44 2x54 s VAL 221 Ca 0.04 1.67 0.02 0.00 0.00 0.00 0.00 61.98 63.71 2x54 s VAL 221 Cb -0.14 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 2x54 s VAL 221 CO -0.05 0.35 0.05 0.61 0.00 0.00 0.00 175.10 176.07 2x54 n GLY 222 N 2.40 3.51 3.00 4.51 0.00 0.59 -4.59 105.19 114.61 2x54 n GLY 222 Ca -0.02 -2.25 -0.12 0.00 0.00 0.00 0.00 46.02 43.64 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 -2.75 -0.02 -0.39 1.61 2.46 -0.29 -2.77 115.29 113.14 2x54 s HIS 223 Ca 0.08 0.06 -0.24 0.00 0.47 0.00 0.00 55.06 55.42 2x54 s HIS 223 Cb 0.00 -0.02 0.01 0.00 -0.13 0.00 0.00 32.58 32.45 2x54 s HIS 223 CO 0.05 -0.12 0.83 -0.06 -2.47 0.00 0.00 174.74 172.98 2x54 s PHE 224 N -0.47 3.07 0.14 3.88 0.08 -1.10 -1.33 117.98 122.26 2x54 s PHE 224 Ca -0.05 0.55 -0.33 0.00 0.12 0.00 0.00 56.93 57.21 2x54 s PHE 224 Cb -0.03 -3.56 -0.13 0.00 -0.57 0.00 0.00 43.02 38.73 2x54 s PHE 224 CO 0.00 -0.82 1.67 0.00 -0.10 0.00 0.00 175.22 175.97 2x54 n ALA 225 N 6.62 1.74 -0.79 5.36 0.00 -0.51 -2.31 120.51 130.63 2x54 n ALA 225 Ca 0.04 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2x54 n ALA 225 Cb 0.48 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.50 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 3.72 0.85 2.18 0.00 0.00 -1.26 -4.76 105.19 105.91 2x54 n GLY 226 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 2x54 n GLY 226 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x54 n ARG 227 N -2.13 1.14 -0.06 1.61 1.74 -0.98 -5.06 116.66 112.92 2x54 n ARG 227 Ca 0.00 -2.22 0.05 0.00 -0.77 0.00 0.00 57.85 54.90 2x54 n ARG 227 Cb 0.00 0.72 0.08 0.00 -1.02 0.00 0.00 32.46 32.23 2x54 n ARG 227 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2x54 n ASP 228 N -1.30 2.29 -4.87 0.55 5.68 -1.26 -4.89 116.55 112.75 2x54 n ASP 228 Ca -0.11 -2.48 -0.35 0.00 -0.50 0.00 0.00 54.79 51.35 2x54 n ASP 228 Cb 0.39 -0.21 -0.05 0.00 -1.14 0.00 0.00 41.12 40.10 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 -1.82 5.18 0.29 2.12 -4.23 -1.26 -5.07 115.64 110.85 2x54 s THR 229 Ca 0.16 0.38 0.05 0.00 -1.18 0.00 0.00 61.69 61.11 2x54 s THR 229 Cb 0.13 -3.61 -0.06 0.00 1.34 0.00 0.00 72.50 70.30 2x54 s THR 229 CO 0.03 0.37 -0.01 -0.94 -0.54 0.00 0.00 174.62 173.52 2x54 s SER 230 N -1.62 2.56 0.16 3.99 1.04 -1.26 -2.70 113.70 115.87 2x54 s SER 230 Ca 0.29 -1.26 -0.06 0.00 0.48 0.00 0.00 55.95 55.41 2x54 s SER 230 Cb -0.14 -0.13 -0.02 0.00 0.10 0.00 0.00 66.02 65.83 2x54 s SER 230 CO 0.16 -0.45 0.21 0.72 0.98 0.00 0.00 173.24 174.86 2x54 s PHE 231 N -3.14 0.60 -0.10 5.02 -0.12 -1.12 -4.71 117.98 114.42 2x54 s PHE 231 Ca 0.32 -0.96 -0.08 0.00 -0.05 0.00 0.00 56.93 56.15 2x54 s PHE 231 Cb 0.06 -0.22 0.03 0.00 -0.63 0.00 0.00 43.02 42.26 2x54 s PHE 231 CO 0.13 -0.66 0.25 -3.38 -0.05 0.00 0.00 175.22 171.51 2x54 s HIS 232 N -4.01 -0.28 -0.10 3.49 -3.43 -1.26 -0.30 115.29 109.39 2x54 s HIS 232 Ca 0.21 0.69 0.03 0.00 -0.80 0.00 0.00 55.06 55.19 2x54 s HIS 232 Cb 0.05 0.09 -0.00 0.00 -1.43 0.00 0.00 32.58 31.29 2x54 s HIS 232 CO 0.02 -0.14 -0.22 0.96 -2.00 0.00 0.00 174.74 173.35 2x54 s ILE 233 N 0.26 2.24 -0.50 -5.38 -5.25 -0.62 -1.60 121.20 110.34 2x54 s ILE 233 Ca -0.01 -0.96 -0.21 0.00 -0.99 0.00 0.00 60.65 58.48 2x54 s ILE 233 Cb -0.03 -1.87 0.04 0.00 2.95 0.00 0.00 42.46 43.56 2x54 s ILE 233 CO -0.01 0.55 0.75 -1.81 -1.79 0.00 0.00 174.94 172.64 2x54 s ASP 234 N 0.33 6.30 -0.79 4.36 1.11 -0.05 -2.17 116.67 125.77 2x54 s ASP 234 Ca -0.17 -0.53 -0.20 0.00 0.18 0.00 0.00 52.55 51.83 2x54 s ASP 234 Cb -0.18 -2.35 0.11 0.00 1.07 0.00 0.00 42.92 41.57 2x54 s ASP 234 CO 0.08 -0.98 1.00 -0.63 1.18 0.00 0.00 175.17 175.83 2x54 s ILE 235 N 3.16 4.62 0.75 0.77 1.01 -0.78 -1.40 121.20 129.33 2x54 s ILE 235 Ca 0.23 -1.09 -0.12 0.00 0.00 0.00 0.00 60.65 59.67 2x54 s ILE 235 Cb -0.15 -4.70 0.05 0.00 0.01 0.00 0.00 42.46 37.67 2x54 s ILE 235 CO 0.17 -1.43 1.12 0.20 0.00 0.00 0.00 174.94 175.00 2x54 s ASN 236 N 3.62 4.45 0.65 3.58 0.01 -0.70 -2.21 114.94 124.33 2x54 s ASN 236 Ca 0.26 1.98 0.41 0.00 -0.71 0.00 0.00 52.86 54.80 2x54 s ASN 236 Cb -0.12 -2.54 2.28 0.00 0.41 0.00 0.00 41.25 41.28 2x54 s ASN 236 CO -0.00 -2.08 2.34 -0.65 -1.51 0.00 0.00 177.10 175.20 2x54 h PRO 237 N -0.79 0.00 -0.01 -0.60 0.11 -1.80 -2.28 132.00 126.63 2x54 h PRO 237 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2x54 h PRO 237 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2x54 h PRO 237 CO 0.51 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.57 2x54 n ASN 238 N -3.27 0.36 0.00 -2.05 6.94 -1.26 -4.64 115.26 111.34 2x54 n ASN 238 Ca -0.03 -1.15 0.00 0.00 -0.02 0.00 0.00 54.58 53.38 2x54 n ASN 238 Cb 0.08 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 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 1.03 0.67 3.73 4.83 0.00 -0.86 -4.87 105.19 109.72 2x54 n GLY 239 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.50 6.94 -0.39 1.61 1.04 -1.26 -0.64 113.70 118.50 2x54 s SER 240 Ca 0.00 2.34 -0.11 0.00 0.48 0.00 0.00 55.95 58.66 2x54 s SER 240 Cb 0.00 -2.61 0.05 0.00 0.10 0.00 0.00 66.02 63.56 2x54 s SER 240 CO 0.00 -0.51 0.23 -0.63 0.98 0.00 0.00 173.24 173.31 2x54 s ILE 241 N 0.22 4.49 -0.24 -1.02 1.09 -1.26 -1.72 121.20 122.75 2x54 s ILE 241 Ca 0.57 -1.04 -0.12 0.00 -1.10 0.00 0.00 60.65 58.96 2x54 s ILE 241 Cb -0.35 -3.59 -0.05 0.00 -1.06 0.00 0.00 42.46 37.41 2x54 s ILE 241 CO 0.37 -0.33 0.21 -0.89 -0.10 0.00 0.00 174.94 174.20 2x54 s THR 242 N 1.52 5.31 0.23 2.92 2.01 -0.49 -1.53 115.64 125.61 2x54 s THR 242 Ca 0.02 0.28 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 2x54 s THR 242 Cb -0.21 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 68.66 2x54 s THR 242 CO 0.05 0.30 1.20 0.86 -0.69 0.00 0.00 174.62 176.34 2x54 s TRP 243 N 1.30 3.40 -0.03 4.92 -0.11 -0.86 -0.88 118.94 126.69 2x54 s TRP 243 Ca 0.10 1.47 0.20 0.00 1.22 0.00 0.00 56.10 59.09 2x54 s TRP 243 Cb -0.14 -3.44 0.36 0.00 -1.50 0.00 0.00 33.47 28.74 2x54 s TRP 243 CO 0.07 -1.19 1.15 0.91 -4.62 0.00 0.00 176.95 173.27 2x54 n TRP 244 N 1.95 0.00 -2.94 5.86 7.02 -0.63 -0.98 117.44 127.72 2x54 n TRP 244 Ca 0.02 -0.55 0.00 0.00 -1.02 0.00 0.00 57.50 55.95 2x54 n TRP 244 Cb 0.44 -0.15 0.00 0.00 -2.42 0.00 0.00 31.31 29.18 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 0.18 2.04 3.81 6.99 0.00 -1.25 -4.44 105.19 112.53 2x54 n GLY 245 Ca 0.07 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 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 -2.00 2.91 0.00 4.61 0.00 -1.26 -4.22 121.76 121.80 2x54 s ALA 246 Ca 0.00 0.42 -0.32 0.00 0.00 0.00 0.00 51.96 52.05 2x54 s ALA 246 Cb 0.00 -3.20 -0.11 0.00 0.00 0.00 0.00 23.12 19.81 2x54 s ALA 246 CO 0.00 -0.34 1.88 0.09 0.00 0.00 0.00 175.76 177.39 2x54 n ASN 247 N -1.33 3.75 -4.58 0.00 4.13 -1.26 -4.80 115.26 111.17 2x54 n ASN 247 Ca 0.08 0.96 -0.34 0.00 1.68 0.00 0.00 54.58 56.96 2x54 n ASN 247 Cb 0.53 -1.45 -0.11 0.00 -1.54 0.00 0.00 39.78 37.21 2x54 n ASN 247 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2x54 s ILE 248 N 3.75 4.35 0.00 2.41 1.01 0.38 -5.01 121.20 128.09 2x54 s ILE 248 Ca 0.89 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.34 2x54 s ILE 248 Cb -0.57 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 38.97 2x54 s ILE 248 CO 0.45 0.49 0.00 -0.90 0.00 0.00 0.00 174.94 174.98 2x54 n ASP 249 N 3.39 0.00 0.25 3.58 5.68 -1.26 -1.81 116.55 126.38 2x54 n ASP 249 Ca -0.17 -0.19 0.08 0.00 -0.50 0.00 0.00 54.79 54.01 2x54 n ASP 249 Cb 0.52 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.13 2x54 n ASP 249 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2x54 h LYS 250 N 0.00 0.00 -6.23 0.11 1.57 -1.98 -0.97 116.57 109.07 2x54 h LYS 250 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2x54 h LYS 250 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2x54 h LYS 250 CO 0.00 0.07 0.85 0.99 -0.57 0.00 0.00 179.45 180.79 2x54 s THR 251 N -4.84 4.16 0.04 -0.16 2.01 -1.26 -4.76 115.64 110.82 2x54 s THR 251 Ca -0.05 1.44 -0.24 0.00 0.31 0.00 0.00 61.69 63.15 2x54 s THR 251 Cb 0.16 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 2x54 s THR 251 CO 0.66 -0.08 0.75 -2.16 -0.69 0.00 0.00 174.62 173.10 2x54 s PRO 252 N 3.07 4.48 -0.14 4.92 0.04 -1.26 -4.74 135.00 141.36 2x54 s PRO 252 Ca 0.58 1.03 -0.01 0.00 0.04 0.00 0.00 61.00 62.63 2x54 s PRO 252 Cb -0.24 -3.36 -0.02 0.00 0.04 0.00 0.00 34.50 30.92 2x54 s PRO 252 CO 0.19 0.29 -0.10 0.42 0.04 0.00 0.00 177.00 177.85 2x54 s ILE 253 N -0.08 3.33 0.11 0.56 1.09 -1.11 -4.92 121.20 120.18 2x54 s ILE 253 Ca 0.38 -0.56 -0.31 0.00 -1.10 0.00 0.00 60.65 59.06 2x54 s ILE 253 Cb -0.20 -2.43 -0.10 0.00 -1.06 0.00 0.00 42.46 38.67 2x54 s ILE 253 CO 0.22 0.51 1.86 0.00 -0.10 0.00 0.00 174.94 177.43 2x54 n ALA 254 N 3.63 2.12 -3.36 9.38 0.00 -1.26 -2.66 120.51 128.36 2x54 n ALA 254 Ca -0.18 0.30 -0.35 0.00 0.00 0.00 0.00 53.44 53.21 2x54 n ALA 254 Cb 0.52 -2.61 -0.14 0.00 0.00 0.00 0.00 19.45 17.23 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 3.00 3.58 0.03 0.00 -4.23 -0.93 -1.42 115.64 115.67 2x54 s THR 255 Ca 0.83 -0.42 0.01 0.00 -1.18 0.00 0.00 61.69 60.93 2x54 s THR 255 Cb -0.47 -2.63 -0.02 0.00 1.34 0.00 0.00 72.50 70.71 2x54 s THR 255 CO 0.38 0.42 -0.06 -0.13 -0.54 0.00 0.00 174.62 174.69 2x54 s ARG 256 N 1.38 0.42 0.00 3.99 1.81 -0.44 -2.91 118.95 123.20 2x54 s ARG 256 Ca 0.05 -0.66 0.00 0.00 -1.72 0.00 0.00 55.73 53.40 2x54 s ARG 256 Cb -0.14 -0.13 0.00 0.00 -0.45 0.00 0.00 34.95 34.23 2x54 s ARG 256 CO -0.01 0.01 0.00 0.41 -0.68 0.00 0.00 175.30 175.03 2x54 n GLY 257 N 1.62 2.83 3.14 -3.53 0.00 -1.25 -1.13 105.19 106.87 2x54 n GLY 257 Ca -0.23 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 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 2.70 -0.06 1.61 -0.87 -1.26 -0.52 114.94 116.55 2x54 s ASN 258 Ca 0.00 -0.49 0.01 0.00 -1.57 0.00 0.00 52.86 50.81 2x54 s ASN 258 Cb 0.00 -1.24 0.02 0.00 -0.02 0.00 0.00 41.25 40.02 2x54 s ASN 258 CO 0.00 0.09 -0.04 -0.83 -2.57 0.00 0.00 177.10 173.75 2x54 s GLY 259 N 0.61 0.52 -0.05 0.66 0.00 -0.47 -4.91 107.32 103.68 2x54 s GLY 259 Ca -0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 44.72 44.43 2x54 s GLY 259 CO 0.04 0.59 0.04 -0.56 0.00 0.00 0.00 173.10 173.21 2x54 s SER 260 N 1.18 5.49 0.05 1.64 0.01 -1.26 -0.40 113.70 120.41 2x54 s SER 260 Ca -0.07 0.15 -0.18 0.00 1.31 0.00 0.00 55.95 57.16 2x54 s SER 260 Cb -0.14 -1.57 0.04 0.00 0.21 0.00 0.00 66.02 64.56 2x54 s SER 260 CO -0.01 0.33 0.42 -0.72 0.41 0.00 0.00 173.24 173.67 2x54 s TYR 261 N -1.04 -0.28 -0.16 2.43 -0.85 -0.97 -5.03 117.35 111.46 2x54 s TYR 261 Ca 0.18 0.22 -0.07 0.00 -0.52 0.00 0.00 57.07 56.88 2x54 s TYR 261 Cb -0.12 0.24 -0.04 0.00 0.38 0.00 0.00 41.96 42.42 2x54 s TYR 261 CO 0.08 -0.59 0.08 -0.06 -1.52 0.00 0.00 175.55 173.54 2x54 s PHE 262 N -2.61 3.35 -0.09 -3.49 0.08 -1.26 -2.19 117.98 111.77 2x54 s PHE 262 Ca -0.04 0.24 -0.14 0.00 0.12 0.00 0.00 56.93 57.11 2x54 s PHE 262 Cb -0.01 -2.02 -0.11 0.00 -0.57 0.00 0.00 43.02 40.32 2x54 s PHE 262 CO -0.03 0.36 0.49 0.82 -0.10 0.00 0.00 175.22 176.76 2x54 h ILE 263 N 4.53 0.60 0.00 0.64 2.04 -1.65 -3.42 117.51 120.24 2x54 h ILE 263 Ca -0.44 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.17 2x54 h ILE 263 Cb 1.18 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2x54 h ILE 263 CO 0.66 0.19 0.00 0.29 0.00 0.00 0.00 178.15 179.29