#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gsm n THR 18 N 0.00 0.13 1.92 1.97 -2.24 -1.26 -4.51 114.28 110.29 2gsm n THR 18 Ca 0.00 -0.22 0.09 0.00 -2.27 0.00 0.00 64.05 61.64 2gsm n THR 18 Cb 0.00 1.35 0.52 0.00 -2.10 0.00 0.00 70.33 70.10 2gsm n THR 18 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2gsm n ARG 19 N -0.06 0.96 0.09 -0.78 1.74 -1.26 -3.27 116.66 114.08 2gsm n ARG 19 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 2gsm n ARG 19 Cb 0.27 -1.28 -0.07 0.00 -1.02 0.00 0.00 32.46 30.35 2gsm n ARG 19 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 2gsm h TRP 20 N 0.00 0.37 0.00 -1.55 4.06 -1.99 -3.34 115.95 113.49 2gsm h TRP 20 Ca 0.00 -0.23 -0.04 0.00 2.06 0.00 0.00 58.89 60.68 2gsm h TRP 20 Cb 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 2gsm h TRP 20 CO 0.00 1.10 -0.20 0.74 -3.56 0.00 0.00 178.44 176.52 2gsm h PHE 21 N 0.10 0.00 0.00 0.49 0.04 -1.88 -3.30 116.94 112.39 2gsm h PHE 21 Ca -0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2gsm h PHE 21 Cb 1.70 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.85 2gsm h PHE 21 CO 0.04 0.20 -0.75 -1.33 -0.60 0.00 0.00 178.31 175.87 2gsm n MET 22 N -3.15 0.28 -1.73 1.51 2.81 -1.25 -4.92 117.12 110.67 2gsm n MET 22 Ca 0.03 0.05 -0.42 0.00 -1.81 0.00 0.00 57.70 55.55 2gsm n MET 22 Cb 0.61 -1.65 -0.01 0.00 -0.71 0.00 0.00 33.22 31.46 2gsm n MET 22 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2gsm n SER 23 N -2.05 3.38 -0.91 7.83 2.88 -1.24 -4.90 113.62 118.61 2gsm n SER 23 Ca 0.03 1.19 0.08 0.00 -1.33 0.00 0.00 58.87 58.83 2gsm n SER 23 Cb 0.44 -1.55 0.22 0.00 -0.75 0.00 0.00 64.21 62.57 2gsm n SER 23 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2gsm n THR 24 N 1.12 1.09 -3.07 2.46 -2.24 -1.26 -4.75 114.28 107.62 2gsm n THR 24 Ca 0.06 -1.04 -0.40 0.00 -2.27 0.00 0.00 64.05 60.40 2gsm n THR 24 Cb 0.36 0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 69.00 2gsm n THR 24 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2gsm s ASN 25 N -1.03 6.92 0.36 3.42 3.84 -1.26 -4.68 114.94 122.51 2gsm s ASN 25 Ca 0.33 1.11 0.14 0.00 0.21 0.00 0.00 52.86 54.64 2gsm s ASN 25 Cb 0.18 -2.39 0.97 0.00 -0.55 0.00 0.00 41.25 39.46 2gsm s ASN 25 CO 0.21 -0.14 1.78 1.12 -2.79 0.00 0.00 177.10 177.28 2gsm h HIS 26 N 6.86 0.80 -0.44 0.43 2.07 -1.92 0.20 115.15 123.15 2gsm h HIS 26 Ca -0.39 0.03 -0.08 0.00 -2.85 0.00 0.00 60.37 57.07 2gsm h HIS 26 Cb 1.18 -0.24 -0.02 0.00 2.57 0.00 0.00 27.41 30.91 2gsm h HIS 26 CO 0.66 0.12 -0.06 0.87 -3.07 0.00 0.00 177.93 176.45 2gsm h LYS 27 N 0.52 0.75 0.06 5.12 1.57 -1.85 0.41 116.57 123.15 2gsm h LYS 27 Ca 0.58 -0.22 -0.22 0.00 -1.87 0.00 0.00 60.65 58.92 2gsm h LYS 27 Cb 1.26 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 33.51 2gsm h LYS 27 CO -0.33 0.80 -0.88 -0.44 -0.57 0.00 0.00 179.45 178.03 2gsm h ASP 28 N 0.69 0.67 0.09 0.86 3.32 -1.11 -2.69 116.42 118.25 2gsm h ASP 28 Ca 0.13 -0.81 -0.00 0.00 0.02 0.00 0.00 57.03 56.37 2gsm h ASP 28 Cb 0.51 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2gsm h ASP 28 CO 0.03 1.41 -0.06 0.40 -1.72 0.00 0.00 179.24 179.29 2gsm h ILE 29 N 0.03 0.86 -0.75 0.35 2.04 -0.95 -1.70 117.51 117.39 2gsm h ILE 29 Ca -0.13 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.90 2gsm h ILE 29 Cb 1.59 0.86 -0.12 0.00 -0.74 0.00 0.00 36.82 38.41 2gsm h ILE 29 CO 0.17 0.00 0.10 1.23 0.00 0.00 0.00 178.15 179.65 2gsm h GLY 30 N -0.16 0.95 1.84 5.37 0.00 -0.99 -0.60 103.07 109.49 2gsm h GLY 30 Ca -0.00 0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 2gsm h GLY 30 CO -0.00 -0.26 -0.41 -2.08 0.00 0.00 0.00 176.54 173.79 2gsm h VAL 31 N 0.18 1.31 -0.04 4.60 2.07 -1.22 -2.01 116.25 121.13 2gsm h VAL 31 Ca 0.42 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 2gsm h VAL 31 Cb 0.75 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 2gsm h VAL 31 CO -0.59 0.44 -0.01 -0.07 0.02 0.00 0.00 177.57 177.36 2gsm h LEU 32 N 0.15 0.08 -0.55 2.57 3.38 -0.21 -2.25 115.31 118.48 2gsm h LEU 32 Ca 0.01 -0.35 0.10 0.00 0.09 0.00 0.00 57.88 57.73 2gsm h LEU 32 Cb 0.80 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 2gsm h LEU 32 CO 0.06 0.41 0.13 1.88 0.09 0.00 0.00 178.44 181.01 2gsm h TYR 33 N -0.25 0.22 -0.27 1.13 -1.99 -1.19 -1.14 116.97 113.48 2gsm h TYR 33 Ca 0.01 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.77 2gsm h TYR 33 Cb 0.37 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.08 2gsm h TYR 33 CO 0.05 0.00 0.14 -0.07 -0.00 0.00 0.00 178.16 178.28 2gsm h LEU 34 N 0.27 0.34 -0.37 3.88 3.38 -1.27 0.49 115.31 122.04 2gsm h LEU 34 Ca 0.28 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 2gsm h LEU 34 Cb 0.39 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2gsm h LEU 34 CO -0.35 0.35 -0.11 -0.26 0.09 0.00 0.00 178.44 178.16 2gsm h PHE 35 N 0.31 0.83 -0.06 1.13 0.04 -1.24 -1.86 116.94 116.08 2gsm h PHE 35 Ca 0.09 -0.19 -0.01 0.00 2.80 0.00 0.00 57.97 60.67 2gsm h PHE 35 Cb 0.09 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 2gsm h PHE 35 CO -0.03 0.89 0.01 1.15 -0.60 0.00 0.00 178.31 179.73 2gsm h THR 36 N 0.53 1.22 -0.84 -1.55 2.02 -1.13 -1.27 112.91 111.89 2gsm h THR 36 Ca 0.09 -0.67 0.15 0.00 0.77 0.00 0.00 66.41 66.75 2gsm h THR 36 Cb 0.64 1.55 -0.06 0.00 -1.74 0.00 0.00 68.15 68.53 2gsm h THR 36 CO 0.04 0.19 0.55 1.23 0.37 0.00 0.00 175.52 177.90 2gsm h GLY 37 N -0.14 1.01 1.06 2.16 0.00 -0.91 0.69 103.07 106.94 2gsm h GLY 37 Ca 0.02 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 2gsm h GLY 37 CO 0.00 0.08 -0.14 -1.33 0.00 0.00 0.00 176.54 175.15 2gsm h GLY 38 N 0.59 1.00 0.71 4.60 0.00 -1.07 0.15 103.07 109.04 2gsm h GLY 38 Ca 0.42 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 2gsm h GLY 38 CO -0.17 0.77 -0.06 -2.00 0.00 0.00 0.00 176.54 175.08 2gsm h LEU 39 N 0.77 -0.15 -0.94 3.11 5.85 0.14 -0.21 115.31 123.88 2gsm h LEU 39 Ca 0.11 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.61 2gsm h LEU 39 Cb 0.70 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 2gsm h LEU 39 CO 0.05 0.15 0.62 0.58 -0.34 0.00 0.00 178.44 179.51 2gsm h VAL 40 N -0.47 1.24 -0.70 1.05 2.07 -0.99 -1.47 116.25 116.98 2gsm h VAL 40 Ca -0.02 -0.44 0.09 0.00 0.82 0.00 0.00 66.70 67.15 2gsm h VAL 40 Cb 0.37 -0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 29.93 2gsm h VAL 40 CO 0.03 0.23 0.35 1.23 0.02 0.00 0.00 177.57 179.44 2gsm h GLY 41 N 1.27 1.05 1.07 2.17 0.00 -0.58 0.79 103.07 108.84 2gsm h GLY 41 Ca 0.34 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 2gsm h GLY 41 CO -0.07 0.07 0.41 -2.00 0.00 0.00 0.00 176.54 174.95 2gsm h LEU 42 N 0.61 1.08 0.06 3.11 5.85 -0.02 -0.96 115.31 125.05 2gsm h LEU 42 Ca 0.34 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 2gsm h LEU 42 Cb 0.34 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2gsm h LEU 42 CO -0.25 0.90 -0.03 0.40 -0.34 0.00 0.00 178.44 179.12 2gsm h ILE 43 N 1.19 1.19 -0.99 4.05 2.04 -0.62 -1.10 117.51 123.27 2gsm h ILE 43 Ca 0.29 -0.91 0.09 0.00 1.00 0.00 0.00 64.86 65.33 2gsm h ILE 43 Cb 0.10 1.79 -0.07 0.00 -0.74 0.00 0.00 36.82 37.89 2gsm h ILE 43 CO -0.04 0.23 0.64 -1.28 0.00 0.00 0.00 178.15 177.69 2gsm h SER 44 N -0.49 0.98 0.06 1.72 0.87 -0.81 -1.74 113.55 114.14 2gsm h SER 44 Ca -0.01 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.45 2gsm h SER 44 Cb 0.43 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2gsm h SER 44 CO 0.01 0.59 -0.42 0.58 -0.53 0.00 0.00 176.83 177.07 2gsm h VAL 45 N 1.09 1.31 -0.81 2.23 2.07 -1.11 -2.66 116.25 118.37 2gsm h VAL 45 Ca 0.45 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 66.39 2gsm h VAL 45 Cb 0.29 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2gsm h VAL 45 CO -0.20 0.49 0.51 0.00 0.02 0.00 0.00 177.57 178.39 2gsm h ALA 46 N 1.18 1.03 -0.49 1.67 0.00 -0.41 -1.46 119.26 120.77 2gsm h ALA 46 Ca 0.03 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2gsm h ALA 46 Cb 0.89 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 2gsm h ALA 46 CO 0.08 0.46 0.08 0.74 0.00 0.00 0.00 179.25 180.61 2gsm h PHE 47 N 1.10 0.13 -0.17 0.00 -1.00 -1.01 -2.32 116.94 113.66 2gsm h PHE 47 Ca 0.29 0.03 -0.06 0.00 2.81 0.00 0.00 57.97 61.04 2gsm h PHE 47 Cb -0.09 0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 2gsm h PHE 47 CO -0.01 -0.02 -0.18 1.79 -1.61 0.00 0.00 178.31 178.28 2gsm h THR 48 N 0.22 1.21 -0.29 -1.55 1.35 -1.10 0.30 112.91 113.05 2gsm h THR 48 Ca 0.25 -0.97 0.02 0.00 -0.55 0.00 0.00 66.41 65.15 2gsm h THR 48 Cb 0.33 1.29 -0.02 0.00 -1.73 0.00 0.00 68.15 68.02 2gsm h THR 48 CO -0.33 0.30 0.15 0.58 -0.25 0.00 0.00 175.52 175.97 2gsm h VAL 49 N 0.26 1.00 -0.52 6.82 2.07 -0.82 0.23 116.25 125.29 2gsm h VAL 49 Ca 0.05 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 2gsm h VAL 49 Cb 0.48 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2gsm h VAL 49 CO 0.03 0.06 0.08 0.22 0.02 0.00 0.00 177.57 177.98 2gsm h TYR 50 N 0.32 0.93 -0.47 1.57 3.20 -0.78 -0.74 116.97 121.00 2gsm h TYR 50 Ca 0.12 -0.13 0.07 0.00 3.14 0.00 0.00 58.73 61.93 2gsm h TYR 50 Cb 0.03 -0.25 -0.06 0.00 1.54 0.00 0.00 36.73 37.98 2gsm h TYR 50 CO -0.09 0.83 0.10 0.52 -1.64 0.00 0.00 178.16 177.89 2gsm h MET 51 N 0.75 0.24 0.00 1.82 2.86 -0.20 -2.64 114.93 117.75 2gsm h MET 51 Ca 0.16 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2gsm h MET 51 Cb 0.41 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2gsm h MET 51 CO 0.01 0.16 0.00 0.00 1.06 0.00 0.00 176.91 178.14 2gsm h ARG 52 N 0.24 0.00 -0.11 1.72 2.47 -0.07 -1.61 114.38 117.03 2gsm h ARG 52 Ca 0.23 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.91 2gsm h ARG 52 Cb 0.29 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.61 2gsm h ARG 52 CO -0.29 0.00 -0.10 0.52 0.56 0.00 0.00 179.97 180.66 2gsm h MET 53 N 0.00 0.25 -0.31 0.04 2.86 -0.80 -2.11 114.93 114.87 2gsm h MET 53 Ca 0.00 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.45 2gsm h MET 53 Cb 0.67 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 2gsm h MET 53 CO 0.00 0.66 -0.08 1.49 1.06 0.00 0.00 176.91 180.03 2gsm h GLU 54 N -0.15 0.50 -0.01 1.72 4.57 -1.27 -2.87 114.58 117.09 2gsm h GLU 54 Ca 0.02 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2gsm h GLU 54 Cb 0.61 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2gsm h GLU 54 CO 0.02 0.59 -0.14 1.28 -1.18 0.00 0.00 179.01 179.58 2gsm n LEU 55 N -4.23 0.65 0.16 1.64 4.77 -0.63 -3.97 117.00 115.40 2gsm n LEU 55 Ca 0.01 -0.08 0.06 0.00 -0.03 0.00 0.00 56.01 55.97 2gsm n LEU 55 Cb 0.30 -0.16 0.55 0.00 -2.33 0.00 0.00 43.42 41.78 2gsm n LEU 55 CO 0.40 0.12 1.10 -0.03 -1.33 0.00 0.00 177.39 177.65 2gsm h MET 56 N 0.79 0.21 -3.38 3.23 4.05 -1.13 -3.41 114.93 115.29 2gsm h MET 56 Ca 0.00 -0.01 -0.16 0.00 -0.28 0.00 0.00 59.70 59.24 2gsm h MET 56 Cb 0.40 -0.05 -0.23 0.00 -0.80 0.00 0.00 31.60 30.92 2gsm h MET 56 CO 0.00 0.14 -0.49 0.00 0.23 0.00 0.00 176.91 176.80 2gsm s ALA 57 N -5.22 -0.41 0.73 0.39 0.00 -1.25 -3.86 121.76 112.13 2gsm s ALA 57 Ca -0.06 0.21 -0.13 0.00 0.00 0.00 0.00 51.96 51.98 2gsm s ALA 57 Cb 0.17 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.23 2gsm s ALA 57 CO 0.69 -0.15 1.11 -1.25 0.00 0.00 0.00 175.76 176.16 2gsm s PRO 58 N -0.63 2.43 0.00 0.00 0.04 -1.26 -4.75 135.00 130.83 2gsm s PRO 58 Ca -0.07 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2gsm s PRO 58 Cb -0.04 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2gsm s PRO 58 CO 0.01 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 175.93 2gsm n GLY 59 N -0.74 -2.39 3.67 0.56 0.00 -1.26 -4.96 105.19 100.07 2gsm n GLY 59 Ca 0.10 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 2gsm n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gsm s VAL 60 N -3.55 5.32 0.00 1.61 1.01 -1.26 -4.95 120.40 118.57 2gsm s VAL 60 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2gsm s VAL 60 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2gsm s VAL 60 CO 0.00 0.33 0.00 0.00 0.00 0.00 0.00 175.10 175.43 2gsm n GLN 61 N 4.25 2.89 -0.06 2.72 3.00 -1.26 -4.52 117.38 124.40 2gsm n GLN 61 Ca -0.13 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.74 2gsm n GLN 61 Cb 0.52 -0.69 -0.04 0.00 0.00 0.00 0.00 30.24 30.03 2gsm n GLN 61 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2gsm n PHE 62 N -0.97 0.00 -2.06 1.08 3.01 -1.26 -0.79 117.46 116.46 2gsm n PHE 62 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 2gsm n PHE 62 Cb 0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 39.48 39.08 2gsm n PHE 62 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 2gsm n MET 63 N -3.48 3.11 -3.66 -1.08 2.81 -1.26 -4.71 117.12 108.85 2gsm n MET 63 Ca -0.22 -2.98 -0.37 0.00 -1.81 0.00 0.00 57.70 52.32 2gsm n MET 63 Cb 0.65 -3.22 -0.07 0.00 -0.71 0.00 0.00 33.22 29.87 2gsm n MET 63 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2gsm h ALA 65 N 5.79 1.46 0.00 0.00 0.00 -0.46 -2.22 119.26 123.84 2gsm h ALA 65 Ca -0.47 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2gsm h ALA 65 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2gsm h ALA 65 CO 0.68 -0.06 -0.13 0.93 0.00 0.00 0.00 179.25 180.67 2gsm h GLU 66 N 0.00 0.00 0.00 0.00 3.07 -1.91 -1.81 114.58 113.93 2gsm h GLU 66 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2gsm h GLU 66 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 2gsm h GLU 66 CO -0.00 0.13 0.00 0.72 -1.40 0.00 0.00 179.01 178.46 2gsm n HIS 67 N -3.76 0.00 0.12 4.33 8.25 -0.83 -3.21 115.22 120.12 2gsm n HIS 67 Ca -0.02 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.48 2gsm n HIS 67 Cb 0.23 -0.38 0.01 0.00 1.12 0.00 0.00 29.99 30.98 2gsm n HIS 67 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2gsm h LEU 68 N 0.00 0.00 -0.69 2.41 3.38 -1.49 -3.33 115.31 115.59 2gsm h LEU 68 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2gsm h LEU 68 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2gsm h LEU 68 CO 0.00 0.43 -0.64 -0.33 0.09 0.00 0.00 178.44 177.98 2gsm h GLU 69 N 0.00 0.00 0.00 1.13 4.39 -1.69 -3.45 114.58 114.96 2gsm h GLU 69 Ca -0.04 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.38 2gsm h GLU 69 Cb 1.36 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 30.14 2gsm h GLU 69 CO 0.05 0.64 0.18 0.43 -1.16 0.00 0.00 179.01 179.15 2gsm n SER 70 N -3.74 -0.91 -3.87 1.42 7.64 -1.25 -5.08 113.62 107.84 2gsm n SER 70 Ca -0.01 -1.13 -0.30 0.00 1.01 0.00 0.00 58.87 58.44 2gsm n SER 70 Cb 0.64 -0.69 0.22 0.00 -1.01 0.00 0.00 64.21 63.38 2gsm n SER 70 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2gsm s GLY 71 N -4.37 1.68 0.09 0.23 0.00 -1.26 -4.78 107.32 98.91 2gsm s GLY 71 Ca 0.50 -1.12 -0.08 0.00 0.00 0.00 0.00 44.72 44.02 2gsm s GLY 71 CO 0.37 -0.25 1.20 -2.00 0.00 0.00 0.00 173.10 172.41 2gsm h LEU 72 N -2.23 0.64 0.13 0.66 5.85 -1.94 -0.07 115.31 118.34 2gsm h LEU 72 Ca -0.44 -0.57 -0.01 0.00 0.84 0.00 0.00 57.88 57.70 2gsm h LEU 72 Cb 1.26 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2gsm h LEU 72 CO 0.33 1.40 -0.06 0.58 -0.34 0.00 0.00 178.44 180.35 2gsm h VAL 73 N 0.22 0.51 -0.60 1.05 2.07 -1.99 -2.63 116.25 114.88 2gsm h VAL 73 Ca -0.13 -1.16 0.05 0.00 0.82 0.00 0.00 66.70 66.29 2gsm h VAL 73 Cb 1.79 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 32.42 2gsm h VAL 73 CO 0.20 0.15 0.32 0.50 0.02 0.00 0.00 177.57 178.76 2gsm h LYS 74 N -0.99 0.58 -0.91 1.57 3.64 -1.96 -2.28 116.57 116.22 2gsm h LYS 74 Ca -0.02 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2gsm h LYS 74 Cb 0.39 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 2gsm h LYS 74 CO 0.03 0.39 0.55 0.78 -2.27 0.00 0.00 179.45 178.92 2gsm h GLY 75 N 0.60 1.32 -0.07 5.01 0.00 -1.15 -0.62 103.07 108.15 2gsm h GLY 75 Ca 0.27 -0.55 0.06 0.00 0.00 0.00 0.00 47.33 47.11 2gsm h GLY 75 CO -0.17 0.53 -0.37 -2.75 0.00 0.00 0.00 176.54 173.78 2gsm h PHE 76 N 1.25 -1.04 0.00 5.60 3.57 -1.02 -1.28 116.94 124.01 2gsm h PHE 76 Ca 0.33 0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.76 2gsm h PHE 76 Cb -0.05 0.50 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 2gsm h PHE 76 CO 0.00 -0.42 -0.55 0.74 -2.23 0.00 0.00 178.31 175.85 2gsm h PHE 77 N -0.36 0.00 -0.79 0.41 0.04 -1.22 -2.36 116.94 112.66 2gsm h PHE 77 Ca 0.12 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.93 2gsm h PHE 77 Cb 0.57 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.68 2gsm h PHE 77 CO -0.51 0.55 0.52 0.37 -0.60 0.00 0.00 178.31 178.64 2gsm h GLN 78 N 0.00 0.93 0.00 1.51 4.15 -0.82 -2.89 115.11 117.99 2gsm h GLN 78 Ca -0.01 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 2gsm h GLN 78 Cb 1.15 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.63 2gsm h GLN 78 CO 0.07 0.62 0.00 -1.13 -1.93 0.00 0.00 178.83 176.46 2gsm n SER 79 N -4.45 0.00 -0.23 -0.69 3.41 -0.51 -2.96 113.62 108.19 2gsm n SER 79 Ca 0.10 0.44 0.13 0.00 -0.26 0.00 0.00 58.87 59.28 2gsm n SER 79 Cb 0.12 -0.48 0.31 0.00 -0.26 0.00 0.00 64.21 63.91 2gsm n SER 79 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2gsm n LEU 80 N -1.48 1.06 -4.48 1.04 4.77 -1.09 -4.71 117.00 112.10 2gsm n LEU 80 Ca 0.06 -0.28 -0.33 0.00 -0.03 0.00 0.00 56.01 55.43 2gsm n LEU 80 Cb 0.27 -0.12 -0.13 0.00 -2.33 0.00 0.00 43.42 41.11 2gsm n LEU 80 CO 0.22 0.20 -0.41 0.86 -1.33 0.00 0.00 177.39 176.93 2gsm s TRP 81 N -2.57 2.87 0.26 -1.77 -0.11 -1.15 -5.10 118.94 111.36 2gsm s TRP 81 Ca 0.22 -0.28 -0.30 0.00 1.22 0.00 0.00 56.10 56.96 2gsm s TRP 81 Cb 0.19 -1.79 -0.09 0.00 -1.50 0.00 0.00 33.47 30.28 2gsm s TRP 81 CO 0.56 0.06 1.29 -1.25 -4.62 0.00 0.00 176.95 172.99 2gsm s PRO 82 N -0.19 4.40 0.26 5.86 0.04 -1.26 -4.75 135.00 139.35 2gsm s PRO 82 Ca 0.02 2.10 0.08 0.00 0.04 0.00 0.00 61.00 63.23 2gsm s PRO 82 Cb -0.13 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 2gsm s PRO 82 CO 0.03 -0.19 0.14 -1.12 0.04 0.00 0.00 177.00 175.90 2gsm s SER 83 N -0.08 5.23 0.56 6.66 0.01 0.02 -5.03 113.70 121.07 2gsm s SER 83 Ca 0.53 -0.38 -0.19 0.00 1.31 0.00 0.00 55.95 57.22 2gsm s SER 83 Cb -0.37 -1.22 -0.05 0.00 0.21 0.00 0.00 66.02 64.58 2gsm s SER 83 CO 0.44 -0.04 1.13 0.00 0.41 0.00 0.00 173.24 175.17 2gsm s ALA 84 N -2.20 2.66 0.23 1.44 0.00 -1.26 -4.59 121.76 118.04 2gsm s ALA 84 Ca 0.33 0.79 -0.06 0.00 0.00 0.00 0.00 51.96 53.02 2gsm s ALA 84 Cb -0.07 -3.36 0.41 0.00 0.00 0.00 0.00 23.12 20.10 2gsm s ALA 84 CO 0.24 -0.85 1.72 0.28 0.00 0.00 0.00 175.76 177.15 2gsm h VAL 85 N 1.03 0.65 -0.00 0.00 2.07 -1.91 0.40 116.25 118.49 2gsm h VAL 85 Ca -0.50 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2gsm h VAL 85 Cb 1.26 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2gsm h VAL 85 CO 0.56 0.07 0.02 1.05 0.02 0.00 0.00 177.57 179.30 2gsm h GLU 86 N 0.39 0.00 -0.42 1.57 9.09 -1.93 -1.58 114.58 121.71 2gsm h GLU 86 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.80 2gsm h GLU 86 Cb 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.68 2gsm h GLU 86 CO -0.40 0.00 0.00 0.09 0.05 0.00 0.00 179.01 178.75 2gsm n ASN 87 N -3.13 3.25 -3.88 3.06 3.02 0.10 -4.92 115.26 112.77 2gsm n ASN 87 Ca -0.03 -2.09 -0.30 0.00 -0.03 0.00 0.00 54.58 52.13 2gsm n ASN 87 Cb 0.09 -0.31 -0.15 0.00 -0.61 0.00 0.00 39.78 38.80 2gsm n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gsm s THR 89 N 1.43 4.43 0.18 0.00 2.01 -1.26 -4.90 115.64 117.52 2gsm s THR 89 Ca 0.01 1.64 -0.33 0.00 0.31 0.00 0.00 61.69 63.32 2gsm s THR 89 Cb -0.18 -4.39 -0.13 0.00 0.01 0.00 0.00 72.50 67.81 2gsm s THR 89 CO -0.12 -0.51 1.65 -2.65 -0.69 0.00 0.00 174.62 172.31 2gsm n PRO 90 N 6.99 2.44 -3.70 4.92 -0.02 -1.26 0.26 135.00 144.63 2gsm n PRO 90 Ca 0.12 0.88 -0.36 0.00 -2.02 0.00 0.00 63.50 62.12 2gsm n PRO 90 Cb 0.47 -2.69 -0.09 0.00 -0.02 0.00 0.00 33.50 31.17 2gsm n PRO 90 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2gsm s ASN 91 N 1.11 5.35 0.45 2.55 2.47 0.02 -4.66 114.94 122.22 2gsm s ASN 91 Ca 0.77 -3.02 0.16 0.00 0.42 0.00 0.00 52.86 51.19 2gsm s ASN 91 Cb -0.60 -1.86 1.09 0.00 -1.45 0.00 0.00 41.25 38.43 2gsm s ASN 91 CO 0.36 -0.33 1.99 1.23 -3.72 0.00 0.00 177.10 176.62 2gsm h GLY 92 N 6.83 0.47 1.35 1.21 0.00 -1.92 -2.55 103.07 108.44 2gsm h GLY 92 Ca 0.02 -0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.22 2gsm h GLY 92 CO 0.73 0.08 0.43 0.84 0.00 0.00 0.00 176.54 178.62 2gsm h HIS 93 N 0.33 0.81 -0.41 5.60 6.17 -1.97 -2.06 115.15 123.62 2gsm h HIS 93 Ca 0.26 0.02 -0.15 0.00 0.71 0.00 0.00 60.37 61.20 2gsm h HIS 93 Cb 0.58 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 30.23 2gsm h HIS 93 CO -0.00 0.51 -0.35 1.25 0.71 0.00 0.00 177.93 180.05 2gsm h LEU 94 N 0.87 1.01 0.14 0.26 5.85 -1.83 -1.08 115.31 120.53 2gsm h LEU 94 Ca 0.24 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.53 2gsm h LEU 94 Cb -0.08 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.63 2gsm h LEU 94 CO -0.05 1.25 -0.28 -0.25 -0.34 0.00 0.00 178.44 178.76 2gsm h TRP 95 N 0.79 -0.77 -0.75 1.25 2.91 -1.54 0.27 115.95 118.10 2gsm h TRP 95 Ca 0.07 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.15 2gsm h TRP 95 Cb 0.94 0.32 -0.04 0.00 -0.51 0.00 0.00 29.16 29.87 2gsm h TRP 95 CO 0.06 -0.39 0.49 -0.91 -1.03 0.00 0.00 178.44 176.66 2gsm h ASN 96 N -0.51 0.75 -0.02 2.65 2.35 -1.20 -0.63 115.58 118.97 2gsm h ASN 96 Ca 0.03 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2gsm h ASN 96 Cb 0.53 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 2gsm h ASN 96 CO -0.15 0.50 -0.02 0.58 -1.65 0.00 0.00 177.43 176.69 2gsm h VAL 97 N 0.86 1.38 -0.69 2.81 2.07 -0.97 -2.20 116.25 119.52 2gsm h VAL 97 Ca 0.31 -1.14 0.08 0.00 0.82 0.00 0.00 66.70 66.77 2gsm h VAL 97 Cb 0.14 2.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 2gsm h VAL 97 CO -0.10 0.30 0.36 0.24 0.02 0.00 0.00 177.57 178.39 2gsm h MET 98 N -0.43 0.61 -0.39 1.57 2.86 -0.54 -0.28 114.93 118.33 2gsm h MET 98 Ca 0.00 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 2gsm h MET 98 Cb 0.50 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 2gsm h MET 98 CO 0.00 0.40 0.15 0.82 1.06 0.00 0.00 176.91 179.35 2gsm h ILE 99 N 0.63 1.20 -0.28 -1.22 5.03 -1.18 -0.73 117.51 120.96 2gsm h ILE 99 Ca 0.33 -0.60 -0.11 0.00 -0.12 0.00 0.00 64.86 64.35 2gsm h ILE 99 Cb 0.30 0.86 -0.00 0.00 -3.03 0.00 0.00 36.82 34.95 2gsm h ILE 99 CO -0.24 0.22 -0.27 0.74 -0.68 0.00 0.00 178.15 177.92 2gsm h THR 100 N 0.49 1.30 -0.52 -0.27 2.02 -1.20 -2.20 112.91 112.52 2gsm h THR 100 Ca 0.13 -1.43 0.03 0.00 0.77 0.00 0.00 66.41 65.91 2gsm h THR 100 Cb 0.19 1.59 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 2gsm h THR 100 CO -0.01 0.46 0.30 1.23 0.37 0.00 0.00 175.52 177.86 2gsm h GLY 101 N 0.41 0.74 0.99 2.16 0.00 -1.00 -0.20 103.07 106.17 2gsm h GLY 101 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2gsm h GLY 101 CO 0.07 0.17 0.07 0.84 0.00 0.00 0.00 176.54 177.69 2gsm h HIS 102 N 0.59 0.13 -0.27 5.60 6.17 -0.96 -1.21 115.15 125.20 2gsm h HIS 102 Ca 0.22 0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.26 2gsm h HIS 102 Cb 0.06 -0.04 -0.01 0.00 2.52 0.00 0.00 27.41 29.94 2gsm h HIS 102 CO -0.07 0.09 0.02 0.78 0.71 0.00 0.00 177.93 179.45 2gsm h GLY 103 N 0.13 0.50 0.99 5.26 0.00 -1.35 -1.79 103.07 106.82 2gsm h GLY 103 Ca 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 2gsm h GLY 103 CO -0.01 0.33 0.31 -2.22 0.00 0.00 0.00 176.54 174.95 2gsm h ILE 104 N 0.26 1.20 -0.33 2.60 1.08 -0.95 -1.28 117.51 120.09 2gsm h ILE 104 Ca 0.08 -0.55 -0.02 0.00 -0.39 0.00 0.00 64.86 63.98 2gsm h ILE 104 Cb 0.39 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 2gsm h ILE 104 CO 0.01 0.23 0.14 -0.07 -0.69 0.00 0.00 178.15 177.76 2gsm h LEU 105 N 0.81 0.45 0.19 1.44 3.38 -1.20 -2.17 115.31 118.21 2gsm h LEU 105 Ca 0.21 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2gsm h LEU 105 Cb 0.08 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2gsm h LEU 105 CO -0.03 0.48 -0.09 0.24 0.09 0.00 0.00 178.44 179.13 2gsm h MET 106 N 0.38 -0.25 0.00 1.13 2.86 -1.20 -0.13 114.93 117.73 2gsm h MET 106 Ca 0.11 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 2gsm h MET 106 Cb 0.17 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2gsm h MET 106 CO -0.01 -0.11 -0.23 0.52 1.06 0.00 0.00 176.91 178.14 2gsm h MET 107 N -0.33 0.00 0.00 1.72 2.86 -1.23 -2.93 114.93 115.03 2gsm h MET 107 Ca -0.03 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 2gsm h MET 107 Cb 0.25 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 2gsm h MET 107 CO 0.04 0.23 -1.20 1.19 1.06 0.00 0.00 176.91 178.24 2gsm n PHE 108 N -3.22 0.00 -0.44 -0.22 3.72 -0.82 -4.79 117.46 111.69 2gsm n PHE 108 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2gsm n PHE 108 Cb 0.55 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 2gsm n PHE 108 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2gsm n PHE 109 N -1.87 0.00 0.02 1.38 3.72 -0.19 -4.72 117.46 115.80 2gsm n PHE 109 Ca -0.03 -0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 2gsm n PHE 109 Cb 0.35 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 2gsm n PHE 109 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2gsm n VAL 110 N -0.15 0.36 -0.03 -4.37 0.31 -0.44 -4.63 118.33 109.37 2gsm n VAL 110 Ca 0.00 0.12 -0.14 0.00 -0.01 0.00 0.00 64.34 64.31 2gsm n VAL 110 Cb 0.24 -1.05 -0.11 0.00 -0.91 0.00 0.00 33.84 32.02 2gsm n VAL 110 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 2gsm h VAL 111 N 0.00 1.54 -0.22 2.52 3.04 -1.78 -1.66 116.25 119.69 2gsm h VAL 111 Ca 0.00 -1.78 -0.11 0.00 -1.01 0.00 0.00 66.70 63.80 2gsm h VAL 111 Cb 0.00 2.67 -0.00 0.00 -2.01 0.00 0.00 31.29 31.95 2gsm h VAL 111 CO 0.00 0.48 -0.30 0.40 -1.01 0.00 0.00 177.57 177.14 2gsm h ILE 112 N -0.55 1.33 -0.91 3.17 2.04 -1.87 -1.20 117.51 119.53 2gsm h ILE 112 Ca -0.01 -1.50 0.12 0.00 1.00 0.00 0.00 64.86 64.47 2gsm h ILE 112 Cb 0.86 1.78 -0.07 0.00 -0.74 0.00 0.00 36.82 38.64 2gsm h ILE 112 CO 0.03 0.46 0.58 -0.65 0.00 0.00 0.00 178.15 178.57 2gsm h PRO 113 N 0.27 0.78 0.13 2.37 0.11 -1.84 0.15 132.00 133.96 2gsm h PRO 113 Ca 0.02 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 2gsm h PRO 113 Cb 0.87 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.81 2gsm h PRO 113 CO 0.07 0.51 -0.06 0.00 -0.21 0.00 0.00 178.00 178.31 2gsm h ALA 114 N 1.58 -0.18 -0.01 -0.75 0.00 -1.10 0.25 119.26 119.05 2gsm h ALA 114 Ca 0.44 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2gsm h ALA 114 Cb 0.58 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2gsm h ALA 114 CO -0.21 -0.37 -0.09 -0.07 0.00 0.00 0.00 179.25 178.51 2gsm h LEU 115 N -0.64 0.10 0.00 0.00 3.38 -1.07 -2.11 115.31 114.97 2gsm h LEU 115 Ca -0.02 -0.70 -0.03 0.00 0.09 0.00 0.00 57.88 57.22 2gsm h LEU 115 Cb 0.48 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2gsm h LEU 115 CO 0.03 0.79 -0.36 0.15 0.09 0.00 0.00 178.44 179.14 2gsm h PHE 116 N -0.58 0.00 -0.22 1.13 3.57 -0.88 -1.22 116.94 118.75 2gsm h PHE 116 Ca -0.01 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2gsm h PHE 116 Cb 0.79 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 2gsm h PHE 116 CO 0.17 0.30 -0.24 0.78 -2.23 0.00 0.00 178.31 177.09 2gsm h GLY 117 N -1.00 0.43 0.00 2.40 0.00 -1.24 -2.48 103.07 101.18 2gsm h GLY 117 Ca -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2gsm h GLY 117 CO -0.03 0.31 0.00 0.61 0.00 0.00 0.00 176.54 177.43 2gsm n GLY 118 N -0.47 1.30 0.29 4.60 0.00 0.83 -3.52 105.19 108.22 2gsm n GLY 118 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 2gsm n GLY 118 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2gsm h PHE 119 N 0.00 0.44 -0.36 1.61 0.04 -1.33 -1.74 116.94 115.60 2gsm h PHE 119 Ca 0.00 -0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 2gsm h PHE 119 Cb 0.00 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 2gsm h PHE 119 CO 0.00 0.32 -0.25 0.78 -0.60 0.00 0.00 178.31 178.55 2gsm h GLY 120 N 0.55 0.89 1.20 -1.45 0.00 -0.94 0.22 103.07 103.53 2gsm h GLY 120 Ca 0.12 -0.85 -0.16 0.00 0.00 0.00 0.00 47.33 46.44 2gsm h GLY 120 CO -0.02 0.77 -0.39 3.43 0.00 0.00 0.00 176.54 180.33 2gsm h ASN 121 N 0.61 0.93 -0.04 0.19 2.35 -1.31 -2.77 115.58 115.54 2gsm h ASN 121 Ca 0.07 -0.43 -0.02 0.00 -0.55 0.00 0.00 56.30 55.38 2gsm h ASN 121 Cb 0.82 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 2gsm h ASN 121 CO 0.07 1.20 -0.04 0.22 -1.65 0.00 0.00 177.43 177.23 2gsm h TYR 122 N 0.71 0.12 0.00 1.19 5.03 -1.20 -3.41 116.97 119.41 2gsm h TYR 122 Ca 0.06 -0.04 -0.14 0.00 2.58 0.00 0.00 58.73 61.19 2gsm h TYR 122 Cb 0.97 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 39.20 2gsm h TYR 122 CO 0.06 0.56 -2.01 1.19 -1.32 0.00 0.00 178.16 176.64 2gsm n PHE 123 N -4.77 0.00 -0.15 -3.82 3.72 0.76 -4.23 117.46 108.97 2gsm n PHE 123 Ca -0.08 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.26 2gsm n PHE 123 Cb 0.28 -0.62 0.02 0.00 -0.94 0.00 0.00 39.48 38.22 2gsm n PHE 123 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 2gsm h MET 124 N 0.00 0.53 -0.32 -1.08 4.05 -1.61 0.16 114.93 116.66 2gsm h MET 124 Ca -0.21 -0.03 -0.11 0.00 -0.28 0.00 0.00 59.70 59.07 2gsm h MET 124 Cb 1.39 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 32.06 2gsm h MET 124 CO 0.01 0.35 -0.24 -1.35 0.23 0.00 0.00 176.91 175.91 2gsm h PRO 125 N 0.54 0.64 -0.53 0.39 0.11 -1.79 -2.47 132.00 128.89 2gsm h PRO 125 Ca 0.18 -0.25 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 2gsm h PRO 125 Cb 0.01 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 2gsm h PRO 125 CO -0.08 0.83 0.27 -0.07 -0.21 0.00 0.00 178.00 178.74 2gsm h LEU 126 N 0.56 0.68 -1.44 2.35 3.38 -1.64 0.35 115.31 119.55 2gsm h LEU 126 Ca 0.08 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2gsm h LEU 126 Cb 0.72 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2gsm h LEU 126 CO 0.06 0.60 -0.28 0.45 0.09 0.00 0.00 178.44 179.36 2gsm h HIS 127 N 0.71 0.00 -0.02 1.13 3.86 -0.50 -2.74 115.15 117.58 2gsm h HIS 127 Ca 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2gsm h HIS 127 Cb 0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.56 2gsm h HIS 127 CO -0.01 0.28 -0.37 0.44 0.86 0.00 0.00 177.93 179.14 2gsm n ILE 128 N -4.06 0.00 -2.71 2.45 -5.35 -0.95 -4.57 119.36 104.18 2gsm n ILE 128 Ca -0.02 -0.32 -0.06 0.00 -0.27 0.00 0.00 62.75 62.09 2gsm n ILE 128 Cb 0.34 1.31 0.02 0.00 -1.74 0.00 0.00 39.64 39.57 2gsm n ILE 128 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gsm n GLY 129 N 1.39 0.57 3.78 3.28 0.00 -0.48 -2.07 105.19 111.66 2gsm n GLY 129 Ca 0.10 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 2gsm n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gsm s ALA 130 N -3.01 3.64 0.19 4.61 0.00 0.11 -3.60 121.76 123.70 2gsm s ALA 130 Ca 0.13 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.28 2gsm s ALA 130 Cb -0.06 -1.87 0.11 0.00 0.00 0.00 0.00 23.12 21.31 2gsm s ALA 130 CO 0.16 0.49 1.78 -1.35 0.00 0.00 0.00 175.76 176.84 2gsm h PRO 131 N 5.47 0.96 0.00 0.00 0.11 -1.85 -3.39 132.00 133.30 2gsm h PRO 131 Ca -0.50 -0.14 -0.13 0.00 0.11 0.00 0.00 66.00 65.35 2gsm h PRO 131 Cb 1.20 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 2gsm h PRO 131 CO 0.61 0.75 0.02 -3.47 -0.21 0.00 0.00 178.00 175.70 2gsm n ASP 132 N -4.47 -1.25 -4.79 -2.05 -0.08 -1.26 -4.50 116.55 98.14 2gsm n ASP 132 Ca 0.05 -2.26 -0.34 0.00 -1.51 0.00 0.00 54.79 50.73 2gsm n ASP 132 Cb 0.12 2.20 -0.02 0.00 2.34 0.00 0.00 41.12 45.76 2gsm n ASP 132 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 2gsm s MET 133 N -2.36 3.59 0.42 -0.67 -1.94 -1.26 -4.96 119.30 112.11 2gsm s MET 133 Ca 0.17 1.40 0.14 0.00 -1.71 0.00 0.00 55.69 55.68 2gsm s MET 133 Cb -0.02 -2.06 1.00 0.00 2.01 0.00 0.00 34.83 35.76 2gsm s MET 133 CO 0.12 -0.61 1.93 0.00 -0.01 0.00 0.00 175.02 176.45 2gsm h ALA 134 N 1.25 2.04 -2.54 3.03 0.00 -1.91 -3.30 119.26 117.83 2gsm h ALA 134 Ca -0.49 -0.00 -0.60 0.00 0.00 0.00 0.00 54.91 53.82 2gsm h ALA 134 Cb 1.23 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.54 2gsm h ALA 134 CO 0.58 -0.23 -0.80 1.19 0.00 0.00 0.00 179.25 180.00 2gsm n PHE 135 N -4.49 1.33 -0.23 0.00 3.72 -1.26 -5.00 117.46 111.53 2gsm n PHE 135 Ca 0.14 -3.83 0.03 0.00 -0.05 0.00 0.00 57.45 53.74 2gsm n PHE 135 Cb 0.48 -0.26 0.15 0.00 -0.94 0.00 0.00 39.48 38.91 2gsm n PHE 135 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2gsm h PRO 136 N 5.08 0.37 -0.87 -1.08 0.11 -1.83 -1.73 132.00 132.05 2gsm h PRO 136 Ca 0.19 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 2gsm h PRO 136 Cb 0.81 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.80 2gsm h PRO 136 CO 0.58 0.25 0.49 0.07 -0.21 0.00 0.00 178.00 179.17 2gsm h ARG 137 N 0.38 1.21 -0.96 1.05 0.11 -1.95 -2.00 114.38 112.23 2gsm h ARG 137 Ca 0.37 -0.14 0.03 0.00 0.10 0.00 0.00 59.98 60.34 2gsm h ARG 137 Cb 0.55 -0.24 -0.05 0.00 1.11 0.00 0.00 29.97 31.34 2gsm h ARG 137 CO -0.39 0.88 0.63 1.98 0.10 0.00 0.00 179.97 183.16 2gsm h MET 138 N 1.21 1.20 -0.33 0.08 4.05 -1.75 -2.24 114.93 117.15 2gsm h MET 138 Ca 0.31 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 59.58 2gsm h MET 138 Cb 0.01 -0.27 -0.02 0.00 -0.80 0.00 0.00 31.60 30.53 2gsm h MET 138 CO -0.05 0.79 -0.12 -0.97 0.23 0.00 0.00 176.91 176.79 2gsm h ASN 139 N 1.24 0.55 -0.30 1.39 -1.24 -0.79 -1.06 115.58 115.36 2gsm h ASN 139 Ca 0.37 -0.15 -0.11 0.00 0.71 0.00 0.00 56.30 57.12 2gsm h ASN 139 Cb -0.05 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 2gsm h ASN 139 CO -0.11 0.70 -0.20 -1.13 -1.29 0.00 0.00 177.43 175.40 2gsm h ASN 140 N 0.52 0.78 -0.41 1.15 -1.24 -0.99 -3.15 115.58 112.23 2gsm h ASN 140 Ca 0.09 -0.27 -0.06 0.00 0.71 0.00 0.00 56.30 56.77 2gsm h ASN 140 Cb 0.52 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 2gsm h ASN 140 CO 0.03 0.96 0.01 0.25 -1.29 0.00 0.00 177.43 177.40 2gsm h LEU 141 N 0.67 0.70 -0.90 0.34 5.85 -1.00 -2.45 115.31 118.53 2gsm h LEU 141 Ca 0.10 -0.30 0.17 0.00 0.84 0.00 0.00 57.88 58.68 2gsm h LEU 141 Cb 0.71 -0.19 -0.16 0.00 0.37 0.00 0.00 40.66 41.38 2gsm h LEU 141 CO 0.05 0.83 -0.29 0.28 -0.34 0.00 0.00 178.44 178.98 2gsm h SER 142 N 0.55 -1.06 -0.78 1.25 0.02 -1.18 0.10 113.55 112.45 2gsm h SER 142 Ca 0.12 0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 61.32 2gsm h SER 142 Cb 0.46 0.62 -0.04 0.00 0.14 0.00 0.00 62.40 63.59 2gsm h SER 142 CO 0.02 -0.30 0.38 0.22 -1.14 0.00 0.00 176.83 176.01 2gsm h TYR 143 N -0.02 1.12 -0.08 3.45 3.20 -1.40 -1.03 116.97 122.21 2gsm h TYR 143 Ca 0.39 -0.05 -0.16 0.00 3.14 0.00 0.00 58.73 62.05 2gsm h TYR 143 Cb 0.63 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 2gsm h TYR 143 CO -0.75 0.82 -0.64 -1.49 -1.64 0.00 0.00 178.16 174.46 2gsm h TRP 144 N 1.10 0.40 -0.43 -3.82 4.06 -1.17 -1.08 115.95 115.00 2gsm h TRP 144 Ca 0.27 -0.16 -0.00 0.00 2.06 0.00 0.00 58.89 61.05 2gsm h TRP 144 Cb 0.11 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.19 2gsm h TRP 144 CO 0.01 0.86 0.25 -0.07 -3.56 0.00 0.00 178.44 175.93 2gsm h LEU 145 N 0.22 0.52 -0.35 -4.49 3.38 -0.63 0.88 115.31 114.84 2gsm h LEU 145 Ca -0.01 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 57.95 2gsm h LEU 145 Cb 1.17 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 2gsm h LEU 145 CO 0.10 0.43 0.04 0.22 0.09 0.00 0.00 178.44 179.32 2gsm h TYR 146 N 0.56 0.06 -0.63 1.13 3.20 -0.95 0.99 116.97 121.34 2gsm h TYR 146 Ca 0.15 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 2gsm h TYR 146 Cb 0.01 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 2gsm h TYR 146 CO -0.03 -0.02 0.20 0.28 -1.64 0.00 0.00 178.16 176.96 2gsm h VAL 147 N 0.15 1.23 0.09 1.81 2.07 -0.92 -0.64 116.25 120.05 2gsm h VAL 147 Ca 0.17 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 2gsm h VAL 147 Cb 0.21 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2gsm h VAL 147 CO -0.25 0.31 -0.05 0.00 0.02 0.00 0.00 177.57 177.60 2gsm h ALA 148 N 1.31 -0.13 -0.57 1.67 0.00 -0.35 -1.06 119.26 120.12 2gsm h ALA 148 Ca 0.21 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2gsm h ALA 148 Cb 0.25 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 17.97 2gsm h ALA 148 CO -0.01 -0.41 -0.25 0.78 0.00 0.00 0.00 179.25 179.36 2gsm h GLY 149 N -0.45 0.12 0.88 0.00 0.00 -0.74 -0.84 103.07 102.04 2gsm h GLY 149 Ca -0.01 0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.68 2gsm h GLY 149 CO 0.02 -0.22 0.55 -0.84 0.00 0.00 0.00 176.54 176.04 2gsm h THR 150 N -0.11 1.14 -0.64 4.70 2.02 -0.98 -1.77 112.91 117.27 2gsm h THR 150 Ca 0.25 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 2gsm h THR 150 Cb 0.51 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 2gsm h THR 150 CO -0.64 0.19 0.08 0.28 0.37 0.00 0.00 175.52 175.81 2gsm h SER 151 N 1.06 1.02 -0.47 4.18 0.02 -0.52 -1.55 113.55 117.30 2gsm h SER 151 Ca 0.34 -0.25 -0.11 0.00 -0.84 0.00 0.00 61.79 60.93 2gsm h SER 151 Cb 0.00 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 2gsm h SER 151 CO -0.11 1.02 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.40 2gsm h LEU 152 N 0.99 0.95 -0.31 5.07 3.38 -0.75 0.58 115.31 125.23 2gsm h LEU 152 Ca 0.19 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2gsm h LEU 152 Cb 0.45 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2gsm h LEU 152 CO 0.02 1.08 0.05 0.00 0.09 0.00 0.00 178.44 179.68 2gsm h ALA 153 N 1.00 0.41 -0.53 1.53 0.00 -1.15 1.00 119.26 121.51 2gsm h ALA 153 Ca 0.13 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2gsm h ALA 153 Cb 0.67 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2gsm h ALA 153 CO 0.05 0.09 0.07 0.28 0.00 0.00 0.00 179.25 179.74 2gsm h VAL 154 N 0.33 1.25 -0.80 0.00 2.07 -1.24 -2.45 116.25 115.42 2gsm h VAL 154 Ca 0.09 -0.98 0.11 0.00 0.82 0.00 0.00 66.70 66.75 2gsm h VAL 154 Cb 0.34 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 2gsm h VAL 154 CO 0.01 0.35 0.42 0.00 0.02 0.00 0.00 177.57 178.36 2gsm h ALA 155 N 0.98 1.15 -0.97 1.67 0.00 -0.63 -1.86 119.26 119.60 2gsm h ALA 155 Ca 0.16 0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.31 2gsm h ALA 155 Cb 0.43 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.07 2gsm h ALA 155 CO 0.01 -0.02 0.61 0.66 0.00 0.00 0.00 179.25 180.51 2gsm h SER 156 N 0.66 0.68 0.02 0.00 4.64 -0.30 0.11 113.55 119.36 2gsm h SER 156 Ca 0.41 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2gsm h SER 156 Cb 0.48 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2gsm h SER 156 CO -0.30 0.27 -0.01 -0.07 -0.87 0.00 0.00 176.83 175.86 2gsm h LEU 157 N 0.68 0.00 -1.88 5.97 3.38 -1.30 -2.58 115.31 119.58 2gsm h LEU 157 Ca 0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.50 2gsm h LEU 157 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2gsm h LEU 157 CO -0.29 0.01 0.00 0.49 0.09 0.00 0.00 178.44 178.74 2gsm n PHE 158 N -3.83 0.13 -3.39 1.13 3.72 -0.02 -3.77 117.46 111.43 2gsm n PHE 158 Ca -0.03 -0.17 -0.32 0.00 -0.05 0.00 0.00 57.45 56.88 2gsm n PHE 158 Cb 0.09 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.57 2gsm n PHE 158 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2gsm s ALA 159 N -0.84 3.55 0.14 4.37 0.00 -0.92 -4.87 121.76 123.18 2gsm s ALA 159 Ca 0.14 -0.26 -0.35 0.00 0.00 0.00 0.00 51.96 51.48 2gsm s ALA 159 Cb 0.08 -2.45 -0.15 0.00 0.00 0.00 0.00 23.12 20.60 2gsm s ALA 159 CO 0.12 0.48 1.50 -2.30 0.00 0.00 0.00 175.76 175.56 2gsm n PRO 160 N -0.20 1.83 0.00 0.00 -0.02 -1.26 -0.93 135.00 134.41 2gsm n PRO 160 Ca 0.01 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2gsm n PRO 160 Cb 0.53 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2gsm n PRO 160 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gsm n GLY 161 N 3.12 5.29 3.77 -1.23 0.00 0.13 -1.12 105.19 115.14 2gsm n GLY 161 Ca 0.17 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 2gsm n GLY 161 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gsm s GLY 162 N 0.00 2.84 -1.62 -0.02 0.00 -1.02 -3.84 107.32 103.66 2gsm s GLY 162 Ca 0.00 1.08 -0.00 0.00 0.00 0.00 0.00 44.72 45.80 2gsm s GLY 162 CO 0.00 1.58 0.07 0.70 0.00 0.00 0.00 173.10 175.45 2gsm n ASN 163 N -0.39 -5.56 -1.23 1.64 3.02 -1.26 -0.99 115.26 110.49 2gsm n ASN 163 Ca 0.07 -0.05 -0.15 0.00 -0.03 0.00 0.00 54.58 54.42 2gsm n ASN 163 Cb 0.46 -4.57 -0.05 0.00 -0.61 0.00 0.00 39.78 35.00 2gsm n ASN 163 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gsm n GLY 164 N -1.07 1.25 2.65 7.41 0.00 -1.25 -5.00 105.19 109.18 2gsm n GLY 164 Ca -0.21 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 2gsm n GLY 164 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gsm n GLN 165 N -2.55 1.04 -3.52 1.61 6.02 -0.16 -4.96 117.38 114.86 2gsm n GLN 165 Ca -0.15 -2.58 -0.34 0.00 -0.01 0.00 0.00 57.00 53.91 2gsm n GLN 165 Cb 0.51 0.54 -0.05 0.00 1.02 0.00 0.00 30.24 32.25 2gsm n GLN 165 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2gsm s LEU 166 N 0.00 4.32 0.00 1.08 1.43 -1.26 0.22 118.68 124.48 2gsm s LEU 166 Ca 0.09 0.85 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 2gsm s LEU 166 Cb -0.01 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 43.08 2gsm s LEU 166 CO 0.06 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.37 2gsm n GLY 167 N 0.73 0.89 3.60 -3.19 0.00 -0.11 -4.73 105.19 102.37 2gsm n GLY 167 Ca -0.06 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 43.85 2gsm n GLY 167 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gsm s SER 168 N -1.01 6.10 -0.95 1.61 0.01 -1.26 -2.45 113.70 115.75 2gsm s SER 168 Ca 0.00 0.09 -0.00 0.00 1.31 0.00 0.00 55.95 57.35 2gsm s SER 168 Cb 0.00 -2.15 0.32 0.00 0.21 0.00 0.00 66.02 64.40 2gsm s SER 168 CO 0.00 -0.09 1.69 0.61 0.41 0.00 0.00 173.24 175.86 2gsm n GLY 169 N 4.93 6.05 0.05 3.44 0.00 -1.26 -4.13 105.19 114.27 2gsm n GLY 169 Ca -0.12 -2.61 0.01 0.00 0.00 0.00 0.00 46.02 43.29 2gsm n GLY 169 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2gsm n ILE 170 N -0.11 0.09 -0.20 -0.61 -5.35 -1.26 -4.82 119.36 107.10 2gsm n ILE 170 Ca 0.45 -0.55 0.01 0.00 -0.27 0.00 0.00 62.75 62.39 2gsm n ILE 170 Cb 0.28 0.98 -0.00 0.00 -1.74 0.00 0.00 39.64 39.15 2gsm n ILE 170 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gsm n GLY 171 N 0.02 -2.89 0.30 3.28 0.00 -1.26 -3.88 105.19 100.76 2gsm n GLY 171 Ca 0.01 -1.29 0.20 0.00 0.00 0.00 0.00 46.02 44.94 2gsm n GLY 171 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2gsm h TRP 172 N -0.04 0.00 -0.03 1.61 5.08 -1.87 -2.00 115.95 118.71 2gsm h TRP 172 Ca -0.01 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.96 2gsm h TRP 172 Cb 0.14 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.30 2gsm h TRP 172 CO 0.01 0.00 -0.06 1.33 -1.28 0.00 0.00 178.44 178.43 2gsm n VAL 173 N -3.02 0.00 -3.77 0.12 0.24 -1.26 -4.84 118.33 105.80 2gsm n VAL 173 Ca -0.01 -0.44 -0.27 0.00 -2.04 0.00 0.00 64.34 61.57 2gsm n VAL 173 Cb 0.17 1.38 0.05 0.00 -1.47 0.00 0.00 33.84 33.97 2gsm n VAL 173 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2gsm n LEU 174 N 1.06 -2.96 -4.67 1.34 4.77 -0.75 -4.91 117.00 110.87 2gsm n LEU 174 Ca 0.14 -0.68 -0.45 0.00 -0.03 0.00 0.00 56.01 54.98 2gsm n LEU 174 Cb 0.56 -2.77 -0.04 0.00 -2.33 0.00 0.00 43.42 38.84 2gsm n LEU 174 CO 0.17 0.54 1.15 -1.22 -1.33 0.00 0.00 177.39 176.71 2gsm n TYR 175 N -4.79 2.28 -2.35 -1.77 4.02 -1.26 -4.54 117.16 108.75 2gsm n TYR 175 Ca 0.01 0.30 -0.27 0.00 -0.01 0.00 0.00 57.90 57.93 2gsm n TYR 175 Cb 0.55 -2.53 0.04 0.00 -0.02 0.00 0.00 39.34 37.38 2gsm n TYR 175 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2gsm s PRO 176 N 0.51 2.83 0.00 -0.72 0.04 -1.26 -1.02 135.00 135.38 2gsm s PRO 176 Ca 0.75 -0.02 0.18 0.00 0.04 0.00 0.00 61.00 61.96 2gsm s PRO 176 Cb -0.66 -2.25 0.98 0.00 0.04 0.00 0.00 34.50 32.61 2gsm s PRO 176 CO 0.41 -0.78 1.52 -2.30 0.04 0.00 0.00 177.00 175.89 2gsm n PRO 177 N -2.64 0.38 0.01 0.56 -0.02 -1.26 -4.82 135.00 127.21 2gsm n PRO 177 Ca 0.05 0.07 -0.10 0.00 -2.02 0.00 0.00 63.50 61.51 2gsm n PRO 177 Cb 0.58 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.52 2gsm n PRO 177 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2gsm h LEU 178 N 0.00 -0.46 -1.09 2.45 5.85 -1.92 -1.14 115.31 119.00 2gsm h LEU 178 Ca 0.00 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 2gsm h LEU 178 Cb 0.10 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2gsm h LEU 178 CO 0.00 -0.20 -0.25 0.77 -0.34 0.00 0.00 178.44 178.42 2gsm h SER 179 N -0.21 0.34 1.55 1.25 4.64 -1.32 -1.55 113.55 118.26 2gsm h SER 179 Ca 0.08 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2gsm h SER 179 Cb 0.32 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2gsm h SER 179 CO -0.21 0.60 0.00 0.71 -0.87 0.00 0.00 176.83 177.05 2gsm h THR 180 N 0.31 0.00 0.00 2.95 1.35 -1.75 -3.31 112.91 112.47 2gsm h THR 180 Ca 0.05 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2gsm h THR 180 Cb 0.61 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2gsm h THR 180 CO 0.04 0.00 -1.03 -1.54 -0.25 0.00 0.00 175.52 172.75 2gsm n SER 181 N -2.42 0.95 -4.65 5.36 3.41 -0.46 -4.66 113.62 111.15 2gsm n SER 181 Ca 0.05 -0.58 -0.48 0.00 -0.26 0.00 0.00 58.87 57.60 2gsm n SER 181 Cb 0.44 1.23 -0.05 0.00 -0.26 0.00 0.00 64.21 65.57 2gsm n SER 181 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2gsm n GLU 182 N -1.57 1.84 -1.39 4.33 4.07 -0.62 -4.93 120.64 122.37 2gsm n GLU 182 Ca 0.01 0.66 -0.29 0.00 -0.06 0.00 0.00 57.16 57.48 2gsm n GLU 182 Cb 0.29 -2.40 0.14 0.00 -0.06 0.00 0.00 31.44 29.40 2gsm n GLU 182 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2gsm s SER 183 N 1.30 3.40 0.22 4.31 1.04 -1.26 -4.89 113.70 117.82 2gsm s SER 183 Ca 0.83 1.15 0.00 0.00 0.48 0.00 0.00 55.95 58.41 2gsm s SER 183 Cb -0.77 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2gsm s SER 183 CO 0.43 -2.64 0.00 0.61 0.98 0.00 0.00 173.24 172.62 2gsm n GLY 184 N -1.71 -1.37 0.00 7.32 0.00 -1.25 -3.37 105.19 104.80 2gsm n GLY 184 Ca 0.06 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2gsm n GLY 184 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2gsm n TYR 185 N -0.20 0.00 -0.33 1.61 4.11 -0.42 -4.72 117.16 117.21 2gsm n TYR 185 Ca 0.00 -0.05 0.21 0.00 -0.00 0.00 0.00 57.90 58.07 2gsm n TYR 185 Cb 0.00 -0.00 0.44 0.00 -0.00 0.00 0.00 39.34 39.77 2gsm n TYR 185 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2gsm h SER 186 N 0.00 0.44 -0.05 9.48 0.87 -1.37 -0.21 113.55 122.72 2gsm h SER 186 Ca 0.00 0.19 -0.12 0.00 -1.23 0.00 0.00 61.79 60.62 2gsm h SER 186 Cb 0.14 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2gsm h SER 186 CO 0.00 -0.12 -0.37 0.74 -0.53 0.00 0.00 176.83 176.55 2gsm h THR 187 N 0.33 1.29 -0.48 2.23 2.02 -1.84 -1.20 112.91 115.25 2gsm h THR 187 Ca 0.70 -1.51 -0.07 0.00 0.77 0.00 0.00 66.41 66.29 2gsm h THR 187 Cb 1.54 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 69.43 2gsm h THR 187 CO -0.60 0.48 -0.00 0.44 0.37 0.00 0.00 175.52 176.20 2gsm h ASP 188 N 0.46 0.77 -0.16 4.18 5.19 -1.38 -0.94 116.42 124.54 2gsm h ASP 188 Ca 0.05 -0.19 -0.13 0.00 -0.62 0.00 0.00 57.03 56.14 2gsm h ASP 188 Cb 0.85 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 2gsm h ASP 188 CO 0.07 0.84 -0.34 -0.07 -3.12 0.00 0.00 179.24 176.62 2gsm h LEU 189 N 0.75 0.69 -0.62 1.55 3.38 -1.05 -2.25 115.31 117.76 2gsm h LEU 189 Ca 0.15 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2gsm h LEU 189 Cb 0.46 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2gsm h LEU 189 CO 0.02 0.97 0.24 0.00 0.09 0.00 0.00 178.44 179.77 2gsm h ALA 190 N 1.07 0.81 -0.39 1.53 0.00 -0.91 -1.47 119.26 119.90 2gsm h ALA 190 Ca 0.06 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2gsm h ALA 190 Cb 0.84 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2gsm h ALA 190 CO 0.07 0.43 -0.04 0.82 0.00 0.00 0.00 179.25 180.53 2gsm h ILE 191 N 0.87 1.23 -0.11 0.00 1.08 -1.02 -2.38 117.51 117.18 2gsm h ILE 191 Ca 0.21 -0.97 -0.22 0.00 -0.39 0.00 0.00 64.86 63.49 2gsm h ILE 191 Cb 0.21 0.98 0.01 0.00 -3.07 0.00 0.00 36.82 34.96 2gsm h ILE 191 CO -0.02 0.33 -0.79 -0.26 -0.69 0.00 0.00 178.15 176.72 2gsm h PHE 192 N 0.60 1.01 -0.59 1.37 0.04 -1.27 -1.69 116.94 116.42 2gsm h PHE 192 Ca 0.12 -0.47 0.12 0.00 2.80 0.00 0.00 57.97 60.54 2gsm h PHE 192 Cb 0.44 -0.15 -0.10 0.00 2.20 0.00 0.00 35.95 38.35 2gsm h PHE 192 CO 0.02 1.30 -0.00 0.00 -0.60 0.00 0.00 178.31 179.03 2gsm h ALA 193 N 0.50 0.57 -0.13 2.45 0.00 -1.10 -0.55 119.26 120.99 2gsm h ALA 193 Ca -0.07 0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 2gsm h ALA 193 Cb 1.43 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2gsm h ALA 193 CO 0.16 -0.39 -0.49 0.28 0.00 0.00 0.00 179.25 178.81 2gsm h VAL 194 N 0.12 1.33 -0.88 0.00 2.07 -1.38 -1.18 116.25 116.34 2gsm h VAL 194 Ca 0.30 -1.73 0.03 0.00 0.82 0.00 0.00 66.70 66.13 2gsm h VAL 194 Cb 0.48 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 2gsm h VAL 194 CO -0.50 0.52 0.57 0.45 0.02 0.00 0.00 177.57 178.63 2gsm h HIS 195 N 0.28 1.07 -0.10 1.57 -0.00 -0.49 -0.56 115.15 116.92 2gsm h HIS 195 Ca 0.01 0.03 -0.23 0.00 -0.00 0.00 0.00 60.37 60.18 2gsm h HIS 195 Cb 0.97 -0.36 0.01 0.00 -0.00 0.00 0.00 27.41 28.04 2gsm h HIS 195 CO 0.03 0.63 -0.83 -0.07 -0.00 0.00 0.00 177.93 177.69 2gsm h LEU 196 N 1.12 0.90 -0.27 2.43 3.38 -0.82 -2.42 115.31 119.63 2gsm h LEU 196 Ca 0.34 -0.67 0.05 0.00 0.09 0.00 0.00 57.88 57.70 2gsm h LEU 196 Cb -0.02 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 2gsm h LEU 196 CO -0.11 1.43 -0.03 -1.28 0.09 0.00 0.00 178.44 178.54 2gsm h SER 197 N 0.44 -0.17 -0.64 -0.43 0.87 -1.07 0.33 113.55 112.89 2gsm h SER 197 Ca -0.07 0.07 0.12 0.00 -1.23 0.00 0.00 61.79 60.67 2gsm h SER 197 Cb 1.47 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 63.52 2gsm h SER 197 CO 0.17 -0.05 0.43 1.23 -0.53 0.00 0.00 176.83 178.07 2gsm h GLY 198 N 0.04 0.57 0.78 5.77 0.00 -1.07 -0.41 103.07 108.75 2gsm h GLY 198 Ca 0.13 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 2gsm h GLY 198 CO -0.24 0.08 -0.42 0.00 0.00 0.00 0.00 176.54 175.96 2gsm h ALA 199 N 1.69 0.16 -0.19 3.60 0.00 -0.64 -1.72 119.26 122.16 2gsm h ALA 199 Ca 0.30 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2gsm h ALA 199 Cb 0.66 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 2gsm h ALA 199 CO -0.08 0.29 -0.15 1.03 0.00 0.00 0.00 179.25 180.33 2gsm h SER 200 N -0.03 -0.49 -0.30 0.00 0.87 -0.44 -1.31 113.55 111.86 2gsm h SER 200 Ca -0.03 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2gsm h SER 200 Cb 1.07 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 2gsm h SER 200 CO 0.09 -0.19 0.19 0.28 -0.53 0.00 0.00 176.83 176.67 2gsm h SER 201 N -0.16 0.35 0.28 6.23 0.02 -1.06 0.51 113.55 119.73 2gsm h SER 201 Ca 0.11 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2gsm h SER 201 Cb 0.33 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2gsm h SER 201 CO -0.29 0.27 -0.14 0.40 -1.14 0.00 0.00 176.83 175.94 2gsm h ILE 202 N 0.40 0.74 -0.53 3.27 1.08 -1.17 0.30 117.51 121.60 2gsm h ILE 202 Ca 0.11 -0.12 0.05 0.00 -0.39 0.00 0.00 64.86 64.51 2gsm h ILE 202 Cb -0.03 0.81 -0.05 0.00 -3.07 0.00 0.00 36.82 34.48 2gsm h ILE 202 CO -0.02 0.03 0.27 -0.07 -0.69 0.00 0.00 178.15 177.66 2gsm h LEU 203 N -0.44 0.39 -0.47 1.44 3.38 -1.15 0.30 115.31 118.76 2gsm h LEU 203 Ca -0.04 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2gsm h LEU 203 Cb 0.33 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 2gsm h LEU 203 CO 0.06 0.27 0.08 1.23 0.09 0.00 0.00 178.44 180.16 2gsm h GLY 204 N 0.52 0.55 0.99 0.83 0.00 -0.63 -1.83 103.07 103.51 2gsm h GLY 204 Ca 0.24 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.52 2gsm h GLY 204 CO -0.17 -0.07 0.20 0.00 0.00 0.00 0.00 176.54 176.50 2gsm h ALA 205 N 1.37 0.75 -0.46 3.60 0.00 0.72 -1.83 119.26 123.42 2gsm h ALA 205 Ca 0.23 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2gsm h ALA 205 Cb 0.31 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2gsm h ALA 205 CO -0.32 0.40 0.16 0.82 0.00 0.00 0.00 179.25 180.30 2gsm h ILE 206 N 0.81 0.84 0.40 0.00 1.08 0.02 -2.08 117.51 118.58 2gsm h ILE 206 Ca 0.19 -0.11 -0.01 0.00 -0.39 0.00 0.00 64.86 64.54 2gsm h ILE 206 Cb 0.25 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 2gsm h ILE 206 CO -0.01 0.06 -0.34 0.78 -0.69 0.00 0.00 178.15 177.95 2gsm h ASN 207 N 0.33 -0.91 -0.68 1.72 2.35 -1.09 -2.75 115.58 114.55 2gsm h ASN 207 Ca 0.22 0.07 0.07 0.00 -0.55 0.00 0.00 56.30 56.12 2gsm h ASN 207 Cb 0.22 0.30 -0.06 0.00 0.05 0.00 0.00 38.32 38.83 2gsm h ASN 207 CO -0.23 -0.50 0.35 0.24 -1.65 0.00 0.00 177.43 175.65 2gsm h MET 208 N -0.75 0.61 -0.31 0.81 2.86 -1.06 -0.50 114.93 116.59 2gsm h MET 208 Ca -0.03 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2gsm h MET 208 Cb 0.66 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 2gsm h MET 208 CO -0.03 0.41 0.15 0.82 1.06 0.00 0.00 176.91 179.31 2gsm h ILE 209 N 0.63 1.16 -0.09 -1.22 1.08 -1.40 -1.23 117.51 116.44 2gsm h ILE 209 Ca 0.32 -0.46 -0.22 0.00 -0.39 0.00 0.00 64.86 64.11 2gsm h ILE 209 Cb 0.27 0.89 0.01 0.00 -3.07 0.00 0.00 36.82 34.91 2gsm h ILE 209 CO -0.22 0.17 -0.82 0.74 -0.69 0.00 0.00 178.15 177.33 2gsm h THR 210 N 0.37 1.32 -0.43 -0.27 2.02 -1.15 -1.59 112.91 113.19 2gsm h THR 210 Ca 0.11 -2.12 -0.09 0.00 0.77 0.00 0.00 66.41 65.08 2gsm h THR 210 Cb 0.13 2.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 2gsm h THR 210 CO -0.01 0.65 -0.12 0.74 0.37 0.00 0.00 175.52 177.15 2gsm h THR 211 N 0.41 1.26 -0.10 3.16 2.02 -1.08 -2.17 112.91 116.40 2gsm h THR 211 Ca -0.06 -1.18 -0.21 0.00 0.77 0.00 0.00 66.41 65.74 2gsm h THR 211 Cb 1.43 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 2gsm h THR 211 CO 0.16 0.40 -0.78 0.15 0.37 0.00 0.00 175.52 175.81 2gsm h PHE 212 N 0.70 0.78 0.00 3.16 3.04 -1.13 -2.59 116.94 120.89 2gsm h PHE 212 Ca 0.12 -0.35 -0.05 0.00 3.98 0.00 0.00 57.97 61.66 2gsm h PHE 212 Cb 0.60 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.98 2gsm h PHE 212 CO 0.03 1.15 -0.62 -0.07 -2.02 0.00 0.00 178.31 176.78 2gsm h LEU 213 N 0.38 0.00 -0.15 0.59 3.38 -1.23 -3.41 115.31 114.87 2gsm h LEU 213 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2gsm h LEU 213 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 2gsm h LEU 213 CO 0.15 0.22 0.00 0.59 0.09 0.00 0.00 178.44 179.49 2gsm n ASN 214 N -2.99 0.15 -0.42 -0.43 3.02 -0.82 -4.85 115.26 108.92 2gsm n ASN 214 Ca 0.00 -0.49 0.03 0.00 -0.03 0.00 0.00 54.58 54.09 2gsm n ASN 214 Cb 0.64 0.54 0.05 0.00 -0.61 0.00 0.00 39.78 40.39 2gsm n ASN 214 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2gsm n MET 215 N -0.54 0.41 -2.39 3.52 2.81 -0.98 -5.04 117.12 114.91 2gsm n MET 215 Ca 0.00 -1.56 -0.42 0.00 -1.81 0.00 0.00 57.70 53.91 2gsm n MET 215 Cb 0.02 -0.80 -0.03 0.00 -0.71 0.00 0.00 33.22 31.70 2gsm n MET 215 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2gsm s ARG 216 N -0.92 4.42 0.22 0.03 0.52 -1.26 -4.18 118.95 117.78 2gsm s ARG 216 Ca 0.12 1.80 -0.31 0.00 -0.52 0.00 0.00 55.73 56.82 2gsm s ARG 216 Cb 0.11 -3.34 -0.15 0.00 0.52 0.00 0.00 34.95 32.09 2gsm s ARG 216 CO 0.00 -0.28 1.17 0.00 0.02 0.00 0.00 175.30 176.21 2gsm n ALA 217 N 3.93 -0.27 -1.41 2.13 0.00 -0.88 -4.79 120.51 119.21 2gsm n ALA 217 Ca 0.09 0.43 -0.53 0.00 0.00 0.00 0.00 53.44 53.44 2gsm n ALA 217 Cb 0.46 -2.07 -0.06 0.00 0.00 0.00 0.00 19.45 17.78 2gsm n ALA 217 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2gsm n PRO 218 N 1.52 0.00 0.00 0.00 -0.02 -1.26 -0.76 135.00 134.48 2gsm n PRO 218 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2gsm n PRO 218 Cb 0.28 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 2gsm n PRO 218 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gsm n GLY 219 N 1.64 2.75 3.57 -1.23 0.00 -1.26 -4.96 105.19 105.69 2gsm n GLY 219 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 2gsm n GLY 219 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2gsm s MET 220 N -0.05 2.39 0.78 1.61 0.00 0.06 -4.93 119.30 119.16 2gsm s MET 220 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 55.69 54.94 2gsm s MET 220 Cb 0.00 -5.12 0.07 0.00 0.00 0.00 0.00 34.83 29.78 2gsm s MET 220 CO 0.00 -3.84 1.14 -0.08 0.00 0.00 0.00 175.02 172.24 2gsm s THR 221 N 11.20 2.14 0.33 10.11 -1.32 -1.26 -4.79 115.64 132.04 2gsm s THR 221 Ca 0.71 -0.04 0.06 0.00 -1.21 0.00 0.00 61.69 61.22 2gsm s THR 221 Cb -0.04 -3.02 0.31 0.00 -1.51 0.00 0.00 72.50 68.23 2gsm s THR 221 CO 0.07 -0.03 1.86 -0.03 -2.21 0.00 0.00 174.62 174.28 2gsm h MET 222 N -0.93 0.78 -0.92 7.08 4.05 -1.99 0.01 114.93 123.00 2gsm h MET 222 Ca -0.46 -0.05 -0.39 0.00 -0.28 0.00 0.00 59.70 58.53 2gsm h MET 222 Cb 1.32 -0.18 -0.23 0.00 -0.80 0.00 0.00 31.60 31.72 2gsm h MET 222 CO 0.65 0.51 0.49 0.72 0.23 0.00 0.00 176.91 179.51 2gsm n HIS 223 N -4.58 2.68 -0.04 1.39 8.25 -1.26 -3.87 115.22 117.79 2gsm n HIS 223 Ca 0.18 -1.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.09 2gsm n HIS 223 Cb 0.42 -0.82 0.00 0.00 1.12 0.00 0.00 29.99 30.71 2gsm n HIS 223 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2gsm n LYS 224 N -0.72 3.97 -2.06 -0.41 5.02 -0.03 -5.05 118.16 118.88 2gsm n LYS 224 Ca 0.50 -0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 56.33 2gsm n LYS 224 Cb 1.51 -0.38 -0.03 0.00 -0.02 0.00 0.00 35.03 36.10 2gsm n LYS 224 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2gsm s VAL 225 N -0.58 2.94 0.69 -0.18 1.01 -1.09 -4.88 120.40 118.31 2gsm s VAL 225 Ca 0.00 0.69 -0.17 0.00 0.00 0.00 0.00 61.98 62.51 2gsm s VAL 225 Cb 0.00 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 2gsm s VAL 225 CO 0.00 0.06 0.92 -2.65 0.00 0.00 0.00 175.10 173.43 2gsm n PRO 226 N 3.66 0.58 0.01 2.72 -0.02 -1.26 -4.82 135.00 135.87 2gsm n PRO 226 Ca 0.11 0.25 0.01 0.00 -2.02 0.00 0.00 63.50 61.86 2gsm n PRO 226 Cb 0.40 -2.16 0.35 0.00 -0.02 0.00 0.00 33.50 32.07 2gsm n PRO 226 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2gsm h LEU 227 N -0.08 0.45 -0.38 2.45 3.38 -1.94 -2.40 115.31 116.79 2gsm h LEU 227 Ca -0.47 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.44 2gsm h LEU 227 Cb 1.34 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 2gsm h LEU 227 CO 0.47 0.47 0.25 0.15 0.09 0.00 0.00 178.44 179.87 2gsm h PHE 228 N 0.49 0.49 -0.80 1.13 3.57 -1.92 -0.26 116.94 119.64 2gsm h PHE 228 Ca 0.11 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2gsm h PHE 228 Cb 0.21 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 2gsm h PHE 228 CO 0.01 0.32 0.40 0.00 -2.23 0.00 0.00 178.31 176.81 2gsm h ALA 229 N 1.13 1.02 -0.82 2.41 0.00 -1.85 -1.87 119.26 119.29 2gsm h ALA 229 Ca 0.14 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2gsm h ALA 229 Cb -0.04 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.37 2gsm h ALA 229 CO -0.03 0.57 0.51 -1.49 0.00 0.00 0.00 179.25 178.81 2gsm h TRP 230 N 1.12 0.94 -0.63 0.00 4.06 -1.14 -2.00 115.95 118.31 2gsm h TRP 230 Ca 0.28 0.03 -0.07 0.00 2.06 0.00 0.00 58.89 61.18 2gsm h TRP 230 Cb 0.09 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 27.92 2gsm h TRP 230 CO 0.01 0.50 0.11 0.66 -3.56 0.00 0.00 178.44 176.16 2gsm h SER 231 N 0.95 0.97 -0.58 -3.49 4.64 -0.28 -0.91 113.55 114.85 2gsm h SER 231 Ca 0.35 -0.22 -0.09 0.00 -0.47 0.00 0.00 61.79 61.36 2gsm h SER 231 Cb 0.12 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 2gsm h SER 231 CO -0.15 0.96 0.02 0.40 -0.87 0.00 0.00 176.83 177.19 2gsm h ILE 232 N 0.96 1.26 -0.06 0.95 1.08 -1.29 -2.03 117.51 118.37 2gsm h ILE 232 Ca 0.19 -1.11 -0.01 0.00 -0.39 0.00 0.00 64.86 63.54 2gsm h ILE 232 Cb 0.40 0.78 -0.00 0.00 -3.07 0.00 0.00 36.82 34.93 2gsm h ILE 232 CO 0.01 0.40 -0.01 0.15 -0.69 0.00 0.00 178.15 178.02 2gsm h PHE 233 N 0.95 0.13 -0.22 1.37 3.57 -0.79 -0.88 116.94 121.07 2gsm h PHE 233 Ca 0.17 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 2gsm h PHE 233 Cb 0.52 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2gsm h PHE 233 CO 0.04 0.42 0.13 0.28 -2.23 0.00 0.00 178.31 176.94 2gsm h VAL 234 N -0.19 1.09 -0.80 1.41 2.07 -1.23 -2.88 116.25 115.72 2gsm h VAL 234 Ca 0.02 -0.21 0.16 0.00 0.82 0.00 0.00 66.70 67.49 2gsm h VAL 234 Cb 0.37 0.83 -0.10 0.00 -1.52 0.00 0.00 31.29 30.87 2gsm h VAL 234 CO 0.00 0.08 0.32 0.74 0.02 0.00 0.00 177.57 178.74 2gsm h THR 235 N 0.27 0.61 -0.38 2.57 2.02 -1.26 -1.75 112.91 114.99 2gsm h THR 235 Ca 0.08 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 67.04 2gsm h THR 235 Cb 0.02 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 2gsm h THR 235 CO -0.01 0.08 -0.02 0.00 0.37 0.00 0.00 175.52 175.93 2gsm h ALA 236 N 1.59 1.24 -0.70 6.16 0.00 -0.95 -1.88 119.26 124.72 2gsm h ALA 236 Ca 0.45 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2gsm h ALA 236 Cb 0.73 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2gsm h ALA 236 CO -0.44 0.50 0.19 -1.49 0.00 0.00 0.00 179.25 178.02 2gsm h TRP 237 N 0.59 1.15 -0.66 0.00 4.06 -1.19 -2.57 115.95 117.33 2gsm h TRP 237 Ca 0.12 -0.13 -0.04 0.00 2.06 0.00 0.00 58.89 60.90 2gsm h TRP 237 Cb 0.41 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 28.21 2gsm h TRP 237 CO 0.02 0.93 0.26 -0.07 -3.56 0.00 0.00 178.44 176.02 2gsm h LEU 238 N 1.04 0.92 -0.85 -4.49 3.38 -0.93 -2.38 115.31 112.00 2gsm h LEU 238 Ca 0.22 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.08 2gsm h LEU 238 Cb 0.34 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 2gsm h LEU 238 CO -0.00 0.84 0.52 0.40 0.09 0.00 0.00 178.44 180.29 2gsm h ILE 239 N 0.94 1.03 -0.79 1.22 2.04 -1.26 0.10 117.51 120.78 2gsm h ILE 239 Ca 0.22 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2gsm h ILE 239 Cb 0.22 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.26 2gsm h ILE 239 CO -0.02 0.17 0.51 -0.07 0.00 0.00 0.00 178.15 178.74 2gsm h LEU 240 N 0.94 0.92 0.12 1.44 4.07 -1.01 -1.28 115.31 120.52 2gsm h LEU 240 Ca 0.37 -0.04 -0.30 0.00 0.08 0.00 0.00 57.88 57.99 2gsm h LEU 240 Cb 0.19 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 2gsm h LEU 240 CO -0.18 0.68 -1.52 0.25 -1.08 0.00 0.00 178.44 176.60 2gsm h LEU 241 N 1.07 0.39 0.01 1.67 6.46 -1.35 -3.40 115.31 120.17 2gsm h LEU 241 Ca 0.29 -0.53 -0.05 0.00 -0.12 0.00 0.00 57.88 57.46 2gsm h LEU 241 Cb -0.10 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.71 2gsm h LEU 241 CO -0.06 1.44 -0.19 0.00 -0.62 0.00 0.00 178.44 179.01 2gsm h ALA 242 N 0.50 0.01 0.00 1.25 0.00 -0.84 -3.33 119.26 116.85 2gsm h ALA 242 Ca -0.24 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.10 2gsm h ALA 242 Cb 2.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 2gsm h ALA 242 CO 0.16 0.05 -0.49 -0.07 0.00 0.00 0.00 179.25 178.91 2gsm h LEU 243 N -0.63 0.00 -0.63 0.00 -0.00 -1.45 -2.21 115.31 110.39 2gsm h LEU 243 Ca -0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.74 2gsm h LEU 243 Cb 1.00 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.64 2gsm h LEU 243 CO 0.04 0.49 -0.18 -0.65 -0.00 0.00 0.00 178.44 178.13 2gsm h PRO 244 N 0.00 0.88 -0.63 1.13 0.11 -1.77 -1.90 132.00 129.82 2gsm h PRO 244 Ca -0.00 -0.35 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 2gsm h PRO 244 Cb 0.92 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.95 2gsm h PRO 244 CO 0.06 0.99 0.33 0.28 -0.21 0.00 0.00 178.00 179.46 2gsm h VAL 245 N 0.78 1.21 -0.58 3.15 2.07 -1.56 -0.99 116.25 120.32 2gsm h VAL 245 Ca 0.11 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2gsm h VAL 245 Cb 0.72 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2gsm h VAL 245 CO 0.06 0.23 0.33 0.25 0.02 0.00 0.00 177.57 178.45 2gsm h LEU 246 N 0.86 0.72 -0.82 2.57 5.85 -1.42 -1.97 115.31 121.09 2gsm h LEU 246 Ca 0.22 -0.08 0.15 0.00 0.84 0.00 0.00 57.88 59.01 2gsm h LEU 246 Cb 0.07 -0.18 -0.10 0.00 0.37 0.00 0.00 40.66 40.82 2gsm h LEU 246 CO -0.03 0.59 0.39 0.00 -0.34 0.00 0.00 178.44 179.05 2gsm h ALA 247 N 1.16 1.22 0.27 1.25 0.00 -0.93 -1.47 119.26 120.75 2gsm h ALA 247 Ca 0.21 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2gsm h ALA 247 Cb 0.02 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2gsm h ALA 247 CO -0.04 -0.14 -0.32 0.78 0.00 0.00 0.00 179.25 179.54 2gsm h GLY 248 N 0.56 -0.70 0.20 0.00 0.00 -0.68 -2.68 103.07 99.76 2gsm h GLY 248 Ca 0.45 0.37 0.08 0.00 0.00 0.00 0.00 47.33 48.23 2gsm h GLY 248 CO -0.38 -0.27 -0.13 0.00 0.00 0.00 0.00 176.54 175.76 2gsm h ALA 249 N -0.08 0.19 0.00 3.60 0.00 -0.60 -1.98 119.26 120.39 2gsm h ALA 249 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2gsm h ALA 249 Cb 0.60 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2gsm h ALA 249 CO -0.09 -0.49 0.00 -0.84 0.00 0.00 0.00 179.25 177.82 2gsm h ILE 250 N -0.05 0.00 -0.01 0.00 3.07 -1.33 -2.59 117.51 116.60 2gsm h ILE 250 Ca 0.18 -0.86 -0.26 0.00 1.55 0.00 0.00 64.86 65.46 2gsm h ILE 250 Cb 0.32 1.86 0.02 0.00 -0.27 0.00 0.00 36.82 38.75 2gsm h ILE 250 CO -0.40 0.00 -1.02 0.74 -1.05 0.00 0.00 178.15 176.41 2gsm h THR 251 N 0.00 1.29 -0.65 0.16 2.02 -1.19 -1.88 112.91 112.66 2gsm h THR 251 Ca 0.00 -2.26 0.06 0.00 0.77 0.00 0.00 66.41 64.98 2gsm h THR 251 Cb 0.91 2.37 -0.04 0.00 -1.74 0.00 0.00 68.15 69.65 2gsm h THR 251 CO 0.00 0.70 0.43 0.24 0.37 0.00 0.00 175.52 177.26 2gsm h MET 252 N 0.38 0.62 -0.39 6.66 2.86 -1.09 0.30 114.93 124.28 2gsm h MET 252 Ca -0.12 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 2gsm h MET 252 Cb 1.67 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 33.18 2gsm h MET 252 CO 0.20 0.41 -0.02 -0.07 1.06 0.00 0.00 176.91 178.49 2gsm h LEU 253 N 0.64 0.69 -1.01 1.22 3.38 -1.38 -2.36 115.31 116.49 2gsm h LEU 253 Ca 0.28 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2gsm h LEU 253 Cb 0.28 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2gsm h LEU 253 CO -0.09 0.85 0.03 0.25 0.09 0.00 0.00 178.44 179.57 2gsm h LEU 254 N 0.53 0.70 0.02 1.67 5.85 -0.36 -1.82 115.31 121.89 2gsm h LEU 254 Ca 0.11 -0.15 -0.18 0.00 0.84 0.00 0.00 57.88 58.50 2gsm h LEU 254 Cb 0.50 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.36 2gsm h LEU 254 CO 0.02 0.75 -0.70 0.71 -0.34 0.00 0.00 178.44 178.89 2gsm h THR 255 N 0.70 1.41 -0.56 1.05 1.35 -1.01 -1.45 112.91 114.40 2gsm h THR 255 Ca 0.14 -2.15 0.15 0.00 -0.55 0.00 0.00 66.41 64.00 2gsm h THR 255 Cb 0.39 2.63 -0.03 0.00 -1.73 0.00 0.00 68.15 69.41 2gsm h THR 255 CO 0.01 0.63 0.39 0.44 -0.25 0.00 0.00 175.52 176.75 2gsm h ASP 256 N -0.05 0.08 0.16 5.36 5.19 -1.34 0.28 116.42 126.09 2gsm h ASP 256 Ca -0.09 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.06 2gsm h ASP 256 Cb 1.41 -0.01 0.02 0.00 0.18 0.00 0.00 39.33 40.92 2gsm h ASP 256 CO 0.14 0.04 -1.25 0.03 -3.12 0.00 0.00 179.24 175.08 2gsm h ARG 257 N 0.08 0.35 0.00 3.56 3.08 -1.27 -3.42 114.38 116.76 2gsm h ARG 257 Ca 0.27 -0.59 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 2gsm h ARG 257 Cb 0.94 0.22 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 2gsm h ARG 257 CO -0.02 1.28 -1.05 0.09 -1.07 0.00 0.00 179.97 179.20 2gsm n ASN 258 N -3.92 4.78 -0.70 7.04 3.02 -0.55 -4.79 115.26 120.14 2gsm n ASN 258 Ca -0.19 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.42 2gsm n ASN 258 Cb 0.94 0.73 0.15 0.00 -0.61 0.00 0.00 39.78 40.99 2gsm n ASN 258 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2gsm n PHE 259 N -1.83 0.00 -0.89 3.10 3.72 0.94 -5.00 117.46 117.50 2gsm n PHE 259 Ca -0.01 -1.13 0.00 0.00 -0.05 0.00 0.00 57.45 56.26 2gsm n PHE 259 Cb 0.32 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 2gsm n PHE 259 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gsm n GLY 260 N -0.77 0.31 3.68 1.37 0.00 -0.94 -4.89 105.19 103.95 2gsm n GLY 260 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2gsm n GLY 260 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gsm s THR 261 N -1.81 1.96 -0.02 2.61 -4.23 -1.17 -4.97 115.64 108.02 2gsm s THR 261 Ca 0.00 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 60.73 2gsm s THR 261 Cb 0.00 -2.53 0.37 0.00 1.34 0.00 0.00 72.50 71.68 2gsm s THR 261 CO 0.00 0.00 1.15 1.07 -0.54 0.00 0.00 174.62 176.30 2gsm n THR 262 N -4.20 0.10 -0.33 3.99 5.66 -1.26 -4.22 114.28 114.02 2gsm n THR 262 Ca 0.06 -1.00 0.12 0.00 -3.05 0.00 0.00 64.05 60.18 2gsm n THR 262 Cb 0.58 0.95 0.33 0.00 -1.55 0.00 0.00 70.33 70.64 2gsm n THR 262 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 2gsm h PHE 263 N 0.97 0.99 0.00 1.09 0.04 -1.91 -2.97 116.94 115.16 2gsm h PHE 263 Ca -0.28 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.52 2gsm h PHE 263 Cb 1.77 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 39.61 2gsm h PHE 263 CO 0.15 0.31 -0.01 1.19 -0.60 0.00 0.00 178.31 179.35 2gsm n PHE 264 N -4.65 0.00 -3.75 -0.55 3.72 -1.26 -2.31 117.46 108.66 2gsm n PHE 264 Ca 0.21 -0.67 -0.38 0.00 -0.05 0.00 0.00 57.45 56.56 2gsm n PHE 264 Cb 0.50 -0.09 -0.12 0.00 -0.94 0.00 0.00 39.48 38.83 2gsm n PHE 264 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2gsm s GLN 265 N -1.67 3.01 0.45 -1.08 -1.52 -1.12 -3.48 119.66 114.24 2gsm s GLN 265 Ca 0.12 -0.92 0.18 0.00 -1.95 0.00 0.00 55.36 52.79 2gsm s GLN 265 Cb 0.10 -3.41 1.14 0.00 -0.22 0.00 0.00 33.01 30.62 2gsm s GLN 265 CO 0.01 -0.49 1.94 -1.35 -0.25 0.00 0.00 175.29 175.15 2gsm h PRO 266 N 8.25 0.30 -0.03 2.91 0.11 -1.87 0.11 132.00 141.77 2gsm h PRO 266 Ca -0.30 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 2gsm h PRO 266 Cb 1.12 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2gsm h PRO 266 CO 0.61 0.20 -0.32 0.66 -0.21 0.00 0.00 178.00 178.93 2gsm h SER 267 N 0.31 0.05 -0.52 -2.05 4.64 -1.94 -2.31 113.55 111.72 2gsm h SER 267 Ca 0.33 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 2gsm h SER 267 Cb 0.87 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2gsm h SER 267 CO -0.08 0.38 0.01 0.61 -0.87 0.00 0.00 176.83 176.87 2gsm n GLY 268 N -0.56 2.86 1.70 -0.77 0.00 -0.70 -4.92 105.19 102.80 2gsm n GLY 268 Ca -0.02 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2gsm n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gsm n GLY 269 N 0.54 0.78 3.94 -0.02 0.00 -0.87 -4.89 105.19 104.68 2gsm n GLY 269 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 2gsm n GLY 269 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gsm s GLY 270 N -1.65 1.79 -0.19 -0.02 0.00 -0.06 -4.93 107.32 102.27 2gsm s GLY 270 Ca 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 44.72 43.36 2gsm s GLY 270 CO 0.00 -0.55 0.24 -0.35 0.00 0.00 0.00 173.10 172.45 2gsm s ASP 271 N -4.90 1.02 0.55 1.64 2.15 -0.98 -3.86 116.67 112.29 2gsm s ASP 271 Ca 0.74 0.00 0.21 0.00 0.43 0.00 0.00 52.55 53.94 2gsm s ASP 271 Cb -0.03 0.52 1.47 0.00 -0.30 0.00 0.00 42.92 44.58 2gsm s ASP 271 CO 0.52 -0.30 2.18 -0.65 -0.17 0.00 0.00 175.17 176.75 2gsm h PRO 272 N 8.29 0.00 0.00 4.34 0.11 -1.83 -1.19 132.00 141.72 2gsm h PRO 272 Ca -0.17 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.92 2gsm h PRO 272 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2gsm h PRO 272 CO 0.25 0.00 -0.10 0.28 -0.21 0.00 0.00 178.00 178.22 2gsm h VAL 273 N 0.00 0.23 -0.66 3.15 2.07 -1.91 -2.75 116.25 116.37 2gsm h VAL 273 Ca 0.01 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 2gsm h VAL 273 Cb 0.03 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2gsm h VAL 273 CO -0.00 0.09 0.24 0.25 0.02 0.00 0.00 177.57 178.18 2gsm h LEU 274 N 0.00 0.92 -0.90 2.57 5.85 -1.58 -2.28 115.31 119.89 2gsm h LEU 274 Ca -0.00 -0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.64 2gsm h LEU 274 Cb 0.68 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.40 2gsm h LEU 274 CO 0.01 0.85 0.54 0.22 -0.34 0.00 0.00 178.44 179.73 2gsm h TYR 275 N 0.93 0.98 -0.81 1.25 3.20 -1.60 -2.47 116.97 118.46 2gsm h TYR 275 Ca 0.22 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 2gsm h TYR 275 Cb 0.23 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 2gsm h TYR 275 CO 0.02 0.41 0.40 1.96 -1.64 0.00 0.00 178.16 179.30 2gsm h GLN 276 N 0.89 1.17 -0.34 1.82 4.20 -1.45 0.23 115.11 121.63 2gsm h GLN 276 Ca 0.44 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.98 2gsm h GLN 276 Cb 0.39 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2gsm h GLN 276 CO -0.25 0.89 0.22 0.45 -0.67 0.00 0.00 178.83 179.48 2gsm h HIS 277 N 1.15 0.42 0.05 2.96 3.86 -1.18 -0.34 115.15 122.08 2gsm h HIS 277 Ca 0.28 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.50 2gsm h HIS 277 Cb 0.10 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.43 2gsm h HIS 277 CO 0.01 0.26 -0.03 0.82 0.86 0.00 0.00 177.93 179.86 2gsm h ILE 278 N 0.45 1.19 -0.29 2.45 1.08 -1.10 -1.95 117.51 119.34 2gsm h ILE 278 Ca 0.13 -0.83 0.06 0.00 -0.39 0.00 0.00 64.86 63.82 2gsm h ILE 278 Cb -0.05 1.73 -0.06 0.00 -3.07 0.00 0.00 36.82 35.38 2gsm h ILE 278 CO -0.03 0.21 -0.08 0.25 -0.69 0.00 0.00 178.15 177.81 2gsm h LEU 279 N -0.45 -0.29 -0.61 1.44 5.85 -0.52 -2.65 115.31 118.08 2gsm h LEU 279 Ca -0.01 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2gsm h LEU 279 Cb 0.40 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2gsm h LEU 279 CO 0.01 -0.10 0.00 -0.50 -0.34 0.00 0.00 178.44 177.51 2gsm h TRP 280 N -0.01 0.00 -0.51 1.25 4.06 -1.06 0.49 115.95 120.17 2gsm h TRP 280 Ca 0.14 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.08 2gsm h TRP 280 Cb 0.22 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.36 2gsm h TRP 280 CO -0.29 0.00 0.26 0.35 -3.56 0.00 0.00 178.44 175.20 2gsm h PHE 281 N 0.00 0.69 0.21 0.49 3.04 -0.99 -0.70 116.94 119.69 2gsm h PHE 281 Ca 0.00 -0.01 -0.33 0.00 3.98 0.00 0.00 57.97 61.61 2gsm h PHE 281 Cb 0.69 -0.22 0.02 0.00 2.56 0.00 0.00 35.95 39.00 2gsm h PHE 281 CO 0.00 0.50 -1.53 0.35 -2.02 0.00 0.00 178.31 175.61 2gsm h PHE 282 N 0.71 0.81 -0.43 0.41 3.04 -1.20 -3.40 116.94 116.87 2gsm h PHE 282 Ca 0.18 -0.59 -0.07 0.00 3.98 0.00 0.00 57.97 61.46 2gsm h PHE 282 Cb 0.05 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 2gsm h PHE 282 CO 0.00 1.54 -0.03 0.78 -2.02 0.00 0.00 178.31 178.58 2gsm h GLY 283 N 0.61 0.78 0.40 2.40 0.00 0.75 -0.84 103.07 107.18 2gsm h GLY 283 Ca -0.26 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.53 2gsm h GLY 283 CO 0.23 0.49 -0.12 0.84 0.00 0.00 0.00 176.54 177.98 2gsm h HIS 284 N 0.67 -0.32 -1.26 5.60 -0.00 -1.39 -3.27 115.15 115.18 2gsm h HIS 284 Ca 0.13 -0.01 0.38 0.00 -0.00 0.00 0.00 60.37 60.88 2gsm h HIS 284 Cb 0.47 0.11 -0.11 0.00 -0.00 0.00 0.00 27.41 27.87 2gsm h HIS 284 CO 0.02 0.02 0.82 -1.35 -0.00 0.00 0.00 177.93 177.45 2gsm h PRO 285 N -0.95 0.16 -0.91 5.26 0.11 -1.56 0.45 132.00 134.56 2gsm h PRO 285 Ca -0.04 -0.01 0.21 0.00 0.11 0.00 0.00 66.00 66.28 2gsm h PRO 285 Cb 0.48 -0.04 -0.12 0.00 0.11 0.00 0.00 31.00 31.44 2gsm h PRO 285 CO 0.06 0.11 0.44 1.49 -0.21 0.00 0.00 178.00 179.88 2gsm h GLU 286 N 0.16 0.45 0.00 1.05 4.57 -1.20 0.13 114.58 119.75 2gsm h GLU 286 Ca 0.74 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.76 2gsm h GLU 286 Cb 2.29 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 30.76 2gsm h GLU 286 CO -0.34 0.30 -0.64 -0.39 -1.18 0.00 0.00 179.01 176.76 2gsm h VAL 287 N 0.46 1.21 0.00 0.32 -1.51 -1.03 -1.08 116.25 114.62 2gsm h VAL 287 Ca 0.56 -2.42 -0.16 0.00 -1.23 0.00 0.00 66.70 63.45 2gsm h VAL 287 Cb 1.03 2.41 -0.02 0.00 -2.13 0.00 0.00 31.29 32.58 2gsm h VAL 287 CO -0.50 0.63 -0.76 1.88 -1.23 0.00 0.00 177.57 177.59 2gsm h TYR 288 N 0.00 0.00 -0.75 5.19 0.05 -1.30 -1.78 116.97 118.37 2gsm h TYR 288 Ca -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 2gsm h TYR 288 Cb 1.36 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.06 2gsm h TYR 288 CO 0.00 0.76 0.42 0.82 -1.05 0.00 0.00 178.16 179.12 2gsm h ILE 289 N 0.00 1.22 0.02 -2.88 2.04 -0.56 -2.10 117.51 115.26 2gsm h ILE 289 Ca -0.01 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 2gsm h ILE 289 Cb 1.57 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2gsm h ILE 289 CO 0.10 0.24 -0.01 0.40 0.00 0.00 0.00 178.15 178.88 2gsm h ILE 290 N 1.04 1.02 0.00 -0.67 2.04 -1.04 -3.38 117.51 116.52 2gsm h ILE 290 Ca 0.27 -0.14 -0.24 0.00 1.00 0.00 0.00 64.86 65.74 2gsm h ILE 290 Cb 0.02 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 2gsm h ILE 290 CO -0.04 0.04 -1.31 1.62 0.00 0.00 0.00 178.15 178.45 2gsm h VAL 291 N -0.10 1.20 0.08 1.67 3.04 -1.23 -3.38 116.25 117.54 2gsm h VAL 291 Ca -0.00 -2.95 0.02 0.00 -1.01 0.00 0.00 66.70 62.76 2gsm h VAL 291 Cb 0.09 2.58 -0.03 0.00 -2.01 0.00 0.00 31.29 31.91 2gsm h VAL 291 CO 0.01 0.69 -0.22 -0.07 -1.01 0.00 0.00 177.57 176.96 2gsm h LEU 292 N 0.00 -0.64 -1.50 3.16 3.38 -1.56 -0.53 115.31 117.62 2gsm h LEU 292 Ca -0.14 0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.07 2gsm h LEU 292 Cb 1.85 0.25 -0.06 0.00 0.09 0.00 0.00 40.66 42.79 2gsm h LEU 292 CO 0.10 -0.31 0.54 -0.65 0.09 0.00 0.00 178.44 178.21 2gsm h PRO 293 N -0.40 0.46 -0.61 1.13 0.11 -1.77 -0.15 132.00 130.77 2gsm h PRO 293 Ca 0.04 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.03 2gsm h PRO 293 Cb 0.44 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 2gsm h PRO 293 CO -0.15 0.30 0.04 0.00 -0.21 0.00 0.00 178.00 177.99 2gsm h ALA 294 N 1.63 0.92 -0.00 -0.75 0.00 -1.35 -2.18 119.26 117.52 2gsm h ALA 294 Ca 0.41 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2gsm h ALA 294 Cb 0.90 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2gsm h ALA 294 CO -0.15 0.65 -0.12 0.74 0.00 0.00 0.00 179.25 180.37 2gsm h PHE 295 N 0.95 -0.31 -0.63 0.00 0.04 0.41 -1.63 116.94 115.78 2gsm h PHE 295 Ca 0.18 0.01 0.12 0.00 2.80 0.00 0.00 57.97 61.08 2gsm h PHE 295 Cb 0.50 0.14 -0.09 0.00 2.20 0.00 0.00 35.95 38.69 2gsm h PHE 295 CO 0.03 -0.18 0.14 0.78 -0.60 0.00 0.00 178.31 178.48 2gsm h GLY 296 N -0.20 0.83 1.06 -1.45 0.00 -1.18 -1.78 103.07 100.34 2gsm h GLY 296 Ca 0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 2gsm h GLY 296 CO -0.12 -0.13 0.26 -2.22 0.00 0.00 0.00 176.54 174.32 2gsm h ILE 297 N 0.26 1.26 -0.45 2.60 2.04 -1.17 -2.80 117.51 119.25 2gsm h ILE 297 Ca 0.34 -0.90 0.02 0.00 1.00 0.00 0.00 64.86 65.32 2gsm h ILE 297 Cb 0.52 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2gsm h ILE 297 CO -0.43 0.36 0.27 0.58 0.00 0.00 0.00 178.15 178.93 2gsm h VAL 298 N 1.13 1.07 -0.27 1.67 2.07 -0.49 -0.42 116.25 121.00 2gsm h VAL 298 Ca 0.25 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.62 2gsm h VAL 298 Cb 0.29 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 2gsm h VAL 298 CO -0.01 0.10 0.03 0.28 0.02 0.00 0.00 177.57 177.99 2gsm h SER 299 N 0.55 -0.03 -0.48 0.57 0.02 -1.25 0.12 113.55 113.05 2gsm h SER 299 Ca 0.17 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.18 2gsm h SER 299 Cb -0.01 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 2gsm h SER 299 CO -0.07 0.02 0.32 0.45 -1.14 0.00 0.00 176.83 176.40 2gsm h HIS 300 N 0.13 0.60 -0.14 3.45 -0.00 -1.22 -1.84 115.15 116.12 2gsm h HIS 300 Ca 0.13 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.48 2gsm h HIS 300 Cb 0.15 -0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 27.35 2gsm h HIS 300 CO -0.18 0.37 -0.02 0.28 -0.00 0.00 0.00 177.93 178.38 2gsm h VAL 301 N 0.64 1.27 -0.30 2.45 2.07 -0.74 -2.57 116.25 119.07 2gsm h VAL 301 Ca 0.18 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 2gsm h VAL 301 Cb -0.06 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2gsm h VAL 301 CO -0.05 0.27 0.02 0.40 0.02 0.00 0.00 177.57 178.23 2gsm h ILE 302 N -0.02 1.25 -0.65 4.57 1.08 -0.94 -1.56 117.51 121.23 2gsm h ILE 302 Ca 0.04 -0.88 0.12 0.00 -0.39 0.00 0.00 64.86 63.74 2gsm h ILE 302 Cb 0.42 1.24 -0.09 0.00 -3.07 0.00 0.00 36.82 35.32 2gsm h ILE 302 CO 0.01 0.29 0.20 0.00 -0.69 0.00 0.00 178.15 177.96 2gsm h ALA 303 N 0.85 0.83 0.10 1.87 0.00 -1.37 -0.45 119.26 121.10 2gsm h ALA 303 Ca 0.09 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2gsm h ALA 303 Cb 0.39 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2gsm h ALA 303 CO 0.01 -0.25 -0.05 1.15 0.00 0.00 0.00 179.25 180.11 2gsm h THR 304 N 0.35 1.03 0.00 0.00 2.02 -1.03 -1.87 112.91 113.41 2gsm h THR 304 Ca 0.34 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2gsm h THR 304 Cb 0.50 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2gsm h THR 304 CO -0.38 0.13 -0.48 0.49 0.37 0.00 0.00 175.52 175.64 2gsm n PHE 305 N -5.04 0.25 1.38 3.16 3.72 -0.62 -2.18 117.46 118.13 2gsm n PHE 305 Ca -0.08 0.07 0.14 0.00 -0.05 0.00 0.00 57.45 57.53 2gsm n PHE 305 Cb 0.18 -0.46 0.52 0.00 -0.94 0.00 0.00 39.48 38.78 2gsm n PHE 305 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2gsm n ALA 306 N -1.64 2.85 -3.92 4.37 0.00 -0.19 -0.82 120.51 121.15 2gsm n ALA 306 Ca 0.05 -0.34 -0.25 0.00 0.00 0.00 0.00 53.44 52.89 2gsm n ALA 306 Cb 0.38 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 2gsm n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2gsm n LYS 307 N -0.67 -3.64 -3.69 0.00 5.02 -0.93 -1.41 118.16 112.84 2gsm n LYS 307 Ca 0.15 0.45 -0.14 0.00 -2.02 0.00 0.00 58.31 56.74 2gsm n LYS 307 Cb 0.31 -4.70 -0.09 0.00 -0.02 0.00 0.00 35.03 30.53 2gsm n LYS 307 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2gsm s LYS 308 N -6.47 0.66 0.57 1.97 2.20 -0.73 -4.72 119.74 113.22 2gsm s LYS 308 Ca 0.05 0.40 -0.19 0.00 -0.36 0.00 0.00 55.97 55.87 2gsm s LYS 308 Cb -0.03 0.31 -0.05 0.00 -1.51 0.00 0.00 37.83 36.56 2gsm s LYS 308 CO 0.87 -0.13 1.17 -2.14 -0.36 0.00 0.00 175.35 174.76 2gsm s PRO 309 N -0.35 3.16 0.10 4.03 0.02 -1.26 -4.40 135.00 136.30 2gsm s PRO 309 Ca -0.05 1.74 -0.31 0.00 0.02 0.00 0.00 61.00 62.40 2gsm s PRO 309 Cb -0.03 -1.97 -0.10 0.00 0.02 0.00 0.00 34.50 32.42 2gsm s PRO 309 CO 0.03 -1.04 1.83 -1.50 -0.33 0.00 0.00 177.00 175.99 2gsm s ILE 310 N -1.67 2.68 0.15 2.83 1.10 -1.26 -4.86 121.20 120.17 2gsm s ILE 310 Ca 0.75 0.11 -0.31 0.00 -0.51 0.00 0.00 60.65 60.68 2gsm s ILE 310 Cb -0.28 -3.07 -0.10 0.00 0.15 0.00 0.00 42.46 39.17 2gsm s ILE 310 CO 0.30 -0.00 1.58 0.12 -2.11 0.00 0.00 174.94 174.83 2gsm s PHE 311 N 3.00 2.97 -0.93 3.50 2.19 -1.26 -3.85 117.98 123.59 2gsm s PHE 311 Ca 0.81 0.59 -0.04 0.00 0.33 0.00 0.00 56.93 58.62 2gsm s PHE 311 Cb -0.45 -3.93 -0.05 0.00 -1.31 0.00 0.00 43.02 37.29 2gsm s PHE 311 CO 0.36 -3.46 0.81 0.41 1.83 0.00 0.00 175.22 175.17 2gsm n GLY 312 N 3.78 -0.76 0.37 13.12 0.00 -1.26 -4.83 105.19 115.61 2gsm n GLY 312 Ca 0.14 0.38 0.13 0.00 0.00 0.00 0.00 46.02 46.67 2gsm n GLY 312 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2gsm h TYR 313 N -1.08 0.95 0.09 1.61 5.03 -1.99 -1.54 116.97 120.05 2gsm h TYR 313 Ca -0.52 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 60.81 2gsm h TYR 313 Cb 1.27 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 39.26 2gsm h TYR 313 CO 0.28 0.26 -0.04 1.25 -1.32 0.00 0.00 178.16 178.59 2gsm h LEU 314 N 0.72 -0.10 -1.34 2.82 5.85 -1.95 -2.58 115.31 118.74 2gsm h LEU 314 Ca 0.53 -0.49 0.10 0.00 0.84 0.00 0.00 57.88 58.86 2gsm h LEU 314 Cb 0.88 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 2gsm h LEU 314 CO -0.30 0.52 0.52 -0.65 -0.34 0.00 0.00 178.44 178.19 2gsm h PRO 315 N -0.81 0.72 -0.78 5.25 0.11 -1.94 -0.61 132.00 133.93 2gsm h PRO 315 Ca -0.01 -0.04 0.13 0.00 0.11 0.00 0.00 66.00 66.19 2gsm h PRO 315 Cb 0.58 -0.16 -0.09 0.00 0.11 0.00 0.00 31.00 31.44 2gsm h PRO 315 CO 0.02 0.48 0.37 0.52 -0.21 0.00 0.00 178.00 179.18 2gsm h MET 316 N 0.74 0.54 -0.11 1.05 2.86 -1.24 0.34 114.93 119.11 2gsm h MET 316 Ca 0.37 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.93 2gsm h MET 316 Cb 0.44 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 2gsm h MET 316 CO -0.14 0.36 -0.13 0.28 1.06 0.00 0.00 176.91 178.34 2gsm h VAL 317 N 0.56 1.36 -0.17 -2.22 2.07 -0.90 -3.11 116.25 113.85 2gsm h VAL 317 Ca 0.42 -1.31 -0.09 0.00 0.82 0.00 0.00 66.70 66.54 2gsm h VAL 317 Cb 0.57 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 2gsm h VAL 317 CO -0.35 0.38 -0.27 1.88 0.02 0.00 0.00 177.57 179.23 2gsm h TYR 318 N -0.12 0.36 -0.68 1.57 -1.99 -0.71 -2.56 116.97 112.84 2gsm h TYR 318 Ca 0.02 -0.07 -0.05 0.00 2.00 0.00 0.00 58.73 60.62 2gsm h TYR 318 Cb 0.66 -0.09 -0.03 0.00 2.00 0.00 0.00 36.73 39.27 2gsm h TYR 318 CO 0.09 0.57 0.21 0.00 -0.00 0.00 0.00 178.16 179.03 2gsm h ALA 319 N 1.43 1.08 -0.41 3.88 0.00 -0.39 0.57 119.26 125.43 2gsm h ALA 319 Ca 0.04 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 2gsm h ALA 319 Cb 0.63 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2gsm h ALA 319 CO 0.05 0.62 -0.12 0.52 0.00 0.00 0.00 179.25 180.32 2gsm h MET 320 N 1.01 0.74 -0.25 0.00 2.86 -1.39 0.15 114.93 118.04 2gsm h MET 320 Ca 0.22 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 2gsm h MET 320 Cb 0.29 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2gsm h MET 320 CO -0.01 0.83 -0.03 0.28 1.06 0.00 0.00 176.91 179.04 2gsm h VAL 321 N 0.67 1.27 -0.38 -2.22 2.07 -1.17 -0.20 116.25 116.29 2gsm h VAL 321 Ca 0.11 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2gsm h VAL 321 Cb 0.59 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 2gsm h VAL 321 CO 0.04 0.31 0.24 0.00 0.02 0.00 0.00 177.57 178.18 2gsm h ALA 322 N 0.79 0.48 -0.18 1.67 0.00 -0.73 -0.51 119.26 120.78 2gsm h ALA 322 Ca 0.07 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2gsm h ALA 322 Cb 0.48 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2gsm h ALA 322 CO 0.02 -0.04 0.02 0.82 0.00 0.00 0.00 179.25 180.08 2gsm h ILE 323 N 0.50 0.91 -0.35 0.00 1.08 -0.61 -0.73 117.51 118.32 2gsm h ILE 323 Ca 0.14 -0.03 0.06 0.00 -0.39 0.00 0.00 64.86 64.64 2gsm h ILE 323 Cb -0.02 0.81 -0.06 0.00 -3.07 0.00 0.00 36.82 34.48 2gsm h ILE 323 CO -0.03 0.02 -0.02 1.23 -0.69 0.00 0.00 178.15 178.66 2gsm h GLY 324 N 0.09 0.32 0.59 5.37 0.00 -0.77 -1.35 103.07 107.32 2gsm h GLY 324 Ca 0.08 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2gsm h GLY 324 CO -0.11 -0.09 -0.09 -2.08 0.00 0.00 0.00 176.54 174.16 2gsm h VAL 325 N 0.07 1.40 -0.27 4.60 2.07 -0.90 -3.12 116.25 120.11 2gsm h VAL 325 Ca 0.17 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.36 2gsm h VAL 325 Cb 0.24 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2gsm h VAL 325 CO -0.30 0.37 0.18 -0.07 0.02 0.00 0.00 177.57 177.77 2gsm h LEU 326 N -0.31 0.25 0.00 2.57 3.38 -1.12 -2.25 115.31 117.84 2gsm h LEU 326 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gsm h LEU 326 Cb 0.65 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2gsm h LEU 326 CO 0.02 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.34 2gsm n GLY 327 N -1.51 -0.34 0.36 0.83 0.00 -0.51 -1.84 105.19 102.18 2gsm n GLY 327 Ca 0.01 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.11 2gsm n GLY 327 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2gsm n PHE 328 N -1.28 0.00 -1.37 1.61 3.72 -0.85 -3.48 117.46 115.81 2gsm n PHE 328 Ca 0.01 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.49 2gsm n PHE 328 Cb 0.01 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 38.72 2gsm n PHE 328 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2gsm n VAL 329 N -0.17 1.95 -0.62 -4.37 0.24 -0.77 -4.72 118.33 109.87 2gsm n VAL 329 Ca 0.07 -2.65 0.00 0.00 -2.04 0.00 0.00 64.34 59.72 2gsm n VAL 329 Cb 0.35 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 2gsm n VAL 329 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2gsm n VAL 330 N -1.21 0.06 -0.12 3.34 0.24 -1.25 -4.86 118.33 114.53 2gsm n VAL 330 Ca 0.17 -0.22 0.18 0.00 -2.04 0.00 0.00 64.34 62.43 2gsm n VAL 330 Cb 0.68 1.48 0.58 0.00 -1.47 0.00 0.00 33.84 35.11 2gsm n VAL 330 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 2gsm h TRP 331 N 0.00 0.29 0.00 6.34 0.09 -1.84 -2.12 115.95 118.71 2gsm h TRP 331 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 58.89 58.99 2gsm h TRP 331 Cb 0.40 -0.09 0.00 0.00 0.08 0.00 0.00 29.16 29.54 2gsm h TRP 331 CO 0.00 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.64 2gsm n ALA 332 N -2.58 2.39 0.48 0.11 0.00 -1.26 -2.20 120.51 117.45 2gsm n ALA 332 Ca 0.14 -0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.52 2gsm n ALA 332 Cb 0.60 -1.32 0.29 0.00 0.00 0.00 0.00 19.45 19.02 2gsm n ALA 332 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2gsm n HIS 333 N -0.90 0.00 1.21 0.00 1.44 -0.80 -0.73 115.22 115.44 2gsm n HIS 333 Ca 0.15 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.96 2gsm n HIS 333 Cb 0.07 -0.48 0.37 0.00 0.12 0.00 0.00 29.99 30.07 2gsm n HIS 333 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2gsm n HIS 334 N -1.48 0.22 -1.85 -1.40 8.25 -0.93 -4.35 115.22 113.68 2gsm n HIS 334 Ca 0.04 -0.11 0.03 0.00 -0.26 0.00 0.00 57.72 57.42 2gsm n HIS 334 Cb 0.15 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.31 2gsm n HIS 334 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2gsm n MET 335 N 0.34 0.38 -0.11 -0.41 2.00 0.09 -4.88 117.12 114.54 2gsm n MET 335 Ca 0.16 -1.65 0.12 0.00 0.00 0.00 0.00 57.70 56.32 2gsm n MET 335 Cb 0.33 -0.71 0.48 0.00 0.00 0.00 0.00 33.22 33.32 2gsm n MET 335 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 175.97 177.85 2gsm h TYR 336 N 0.22 0.49 -0.56 2.03 0.05 -1.74 -1.43 116.97 116.02 2gsm h TYR 336 Ca -0.04 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2gsm h TYR 336 Cb 1.36 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.94 2gsm h TYR 336 CO 0.13 0.23 0.00 0.25 -1.05 0.00 0.00 178.16 177.72 2gsm n THR 337 N -4.48 0.77 1.18 -2.88 -2.24 -1.26 -4.49 114.28 100.88 2gsm n THR 337 Ca 0.10 -0.88 0.08 0.00 -2.27 0.00 0.00 64.05 61.08 2gsm n THR 337 Cb 0.37 0.73 0.29 0.00 -2.10 0.00 0.00 70.33 69.62 2gsm n THR 337 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gsm n ALA 338 N 1.55 2.50 0.00 6.98 0.00 -0.54 -4.86 120.51 126.14 2gsm n ALA 338 Ca 0.22 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2gsm n ALA 338 Cb 0.61 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2gsm n ALA 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gsm n GLY 339 N 1.05 1.55 3.83 0.00 0.00 -1.26 -5.00 105.19 105.36 2gsm n GLY 339 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 2gsm n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gsm s LEU 340 N 0.00 4.23 0.81 0.99 1.43 -1.26 -5.06 118.68 119.83 2gsm s LEU 340 Ca 0.00 1.36 -0.11 0.00 -1.03 0.00 0.00 54.13 54.35 2gsm s LEU 340 Cb 0.00 -3.78 0.08 0.00 0.03 0.00 0.00 46.19 42.53 2gsm s LEU 340 CO 0.00 -0.06 1.09 -0.94 0.23 0.00 0.00 176.35 176.67 2gsm s SER 341 N -1.90 4.15 0.26 2.29 1.04 -1.26 -4.80 113.70 113.49 2gsm s SER 341 Ca 0.47 1.74 -0.04 0.00 0.48 0.00 0.00 55.95 58.60 2gsm s SER 341 Cb -0.14 -2.42 0.32 0.00 0.10 0.00 0.00 66.02 63.88 2gsm s SER 341 CO 0.20 -2.25 1.91 0.25 0.98 0.00 0.00 173.24 174.33 2gsm h LEU 342 N -1.28 1.09 0.44 2.42 5.85 -1.99 -0.33 115.31 121.52 2gsm h LEU 342 Ca -0.45 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 2gsm h LEU 342 Cb 1.25 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2gsm h LEU 342 CO 0.52 0.75 -0.21 0.74 -0.34 0.00 0.00 178.44 179.90 2gsm h THR 343 N 1.27 0.57 -0.16 1.05 2.02 -1.99 -0.55 112.91 115.12 2gsm h THR 343 Ca 0.40 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 67.58 2gsm h THR 343 Cb -0.01 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 2gsm h THR 343 CO -0.12 0.01 -0.13 1.56 0.37 0.00 0.00 175.52 177.21 2gsm h GLN 344 N -0.62 -0.13 -0.64 6.66 4.20 -1.88 -0.70 115.11 122.01 2gsm h GLN 344 Ca -0.06 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.76 2gsm h GLN 344 Cb 0.47 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.20 2gsm h GLN 344 CO 0.10 -0.09 0.24 1.96 -0.67 0.00 0.00 178.83 180.37 2gsm h GLN 345 N -0.14 0.40 0.15 1.46 4.20 -0.98 -1.61 115.11 118.59 2gsm h GLN 345 Ca 0.10 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2gsm h GLN 345 Cb 0.28 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 2gsm h GLN 345 CO -0.24 0.27 -0.08 0.77 -0.67 0.00 0.00 178.83 178.87 2gsm h SER 346 N 0.41 -0.20 0.41 1.46 0.02 -0.46 -1.66 113.55 113.54 2gsm h SER 346 Ca 0.33 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 2gsm h SER 346 Cb 0.42 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2gsm h SER 346 CO -0.33 -0.14 -0.26 0.22 -1.14 0.00 0.00 176.83 175.19 2gsm h TYR 347 N -0.22 -0.68 -0.49 3.45 3.20 -0.78 -2.23 116.97 119.22 2gsm h TYR 347 Ca -0.02 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2gsm h TYR 347 Cb 0.18 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 2gsm h TYR 347 CO -0.08 -0.40 0.27 0.74 -1.64 0.00 0.00 178.16 177.05 2gsm h PHE 348 N -0.65 0.66 -0.13 -3.82 0.04 -1.31 0.69 116.94 112.42 2gsm h PHE 348 Ca -0.04 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.75 2gsm h PHE 348 Cb 0.53 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.44 2gsm h PHE 348 CO -0.10 0.47 -0.06 1.98 -0.60 0.00 0.00 178.31 180.00 2gsm h MET 349 N 0.68 -0.05 -0.22 1.51 4.05 -1.15 -1.79 114.93 117.96 2gsm h MET 349 Ca 0.18 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.47 2gsm h MET 349 Cb 0.02 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.83 2gsm h MET 349 CO -0.03 -0.03 -0.35 0.52 0.23 0.00 0.00 176.91 177.25 2gsm h MET 350 N -0.05 0.63 -0.71 0.39 2.86 -0.45 -2.34 114.93 115.26 2gsm h MET 350 Ca 0.07 -0.38 0.01 0.00 -2.06 0.00 0.00 59.70 57.34 2gsm h MET 350 Cb 0.16 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 2gsm h MET 350 CO -0.17 0.99 0.47 0.00 1.06 0.00 0.00 176.91 179.27 2gsm h ALA 351 N 0.63 1.49 -0.56 6.32 0.00 -0.99 -2.66 119.26 123.49 2gsm h ALA 351 Ca 0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2gsm h ALA 351 Cb 0.94 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2gsm h ALA 351 CO 0.08 0.47 0.11 1.15 0.00 0.00 0.00 179.25 181.06 2gsm h THR 352 N 0.97 1.25 -0.97 0.00 2.02 -1.05 -3.05 112.91 112.08 2gsm h THR 352 Ca 0.26 -0.94 0.06 0.00 0.77 0.00 0.00 66.41 66.56 2gsm h THR 352 Cb -0.11 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 2gsm h THR 352 CO -0.06 0.34 0.63 0.24 0.37 0.00 0.00 175.52 177.04 2gsm h MET 353 N 0.81 1.10 -0.83 6.66 2.86 -1.07 -2.34 114.93 122.12 2gsm h MET 353 Ca 0.17 -0.07 0.21 0.00 -2.06 0.00 0.00 59.70 57.95 2gsm h MET 353 Cb 0.39 -0.25 -0.05 0.00 0.06 0.00 0.00 31.60 31.75 2gsm h MET 353 CO 0.01 0.73 0.57 0.28 1.06 0.00 0.00 176.91 179.56 2gsm h VAL 354 N 1.14 0.66 0.00 -2.22 2.07 -1.41 -1.47 116.25 115.01 2gsm h VAL 354 Ca 0.41 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.85 2gsm h VAL 354 Cb 0.15 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2gsm h VAL 354 CO -0.16 0.04 -0.06 0.40 0.02 0.00 0.00 177.57 177.81 2gsm h ILE 355 N 0.21 0.50 -0.02 4.57 2.04 -1.54 -0.80 117.51 122.48 2gsm h ILE 355 Ca 0.41 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 66.00 2gsm h ILE 355 Cb 1.29 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 2gsm h ILE 355 CO -0.09 0.06 0.02 0.00 0.00 0.00 0.00 178.15 178.14 2gsm h ALA 356 N 1.94 1.77 0.40 1.87 0.00 -1.44 -2.94 119.26 120.87 2gsm h ALA 356 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2gsm h ALA 356 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2gsm h ALA 356 CO 0.01 -0.03 -0.19 0.28 0.00 0.00 0.00 179.25 179.31 2gsm h VAL 357 N 0.00 0.00 -0.68 0.00 2.07 -1.32 0.50 116.25 116.81 2gsm h VAL 357 Ca 0.01 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.15 2gsm h VAL 357 Cb 0.05 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.78 2gsm h VAL 357 CO -0.00 0.00 0.45 1.55 0.02 0.00 0.00 177.57 179.59 2gsm h PRO 358 N -0.95 0.80 -0.48 1.57 0.13 -1.72 -1.74 132.00 129.59 2gsm h PRO 358 Ca -0.05 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 2gsm h PRO 358 Cb 0.41 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.34 2gsm h PRO 358 CO 0.09 0.53 0.21 1.15 -0.23 0.00 0.00 178.00 179.74 2gsm h THR 359 N 0.82 1.20 -0.85 1.56 2.02 -1.55 -2.68 112.91 113.44 2gsm h THR 359 Ca 0.27 -0.61 0.10 0.00 0.77 0.00 0.00 66.41 66.94 2gsm h THR 359 Cb 0.07 0.70 -0.07 0.00 -1.74 0.00 0.00 68.15 67.11 2gsm h THR 359 CO -0.08 0.23 0.49 1.23 0.37 0.00 0.00 175.52 177.76 2gsm h GLY 360 N 0.64 1.32 0.39 2.16 0.00 -0.33 -1.89 103.07 105.36 2gsm h GLY 360 Ca 0.16 -0.32 0.06 0.00 0.00 0.00 0.00 47.33 47.23 2gsm h GLY 360 CO -0.02 0.13 -0.06 -2.22 0.00 0.00 0.00 176.54 174.37 2gsm h ILE 361 N 0.81 0.70 -0.45 2.60 1.08 -1.01 -1.05 117.51 120.18 2gsm h ILE 361 Ca 0.41 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.87 2gsm h ILE 361 Cb 0.39 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 2gsm h ILE 361 CO -0.25 0.00 0.27 0.11 -0.69 0.00 0.00 178.15 177.60 2gsm h LYS 362 N 0.02 0.62 -0.24 2.37 1.57 -1.20 -0.06 116.57 119.65 2gsm h LYS 362 Ca 0.16 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2gsm h LYS 362 Cb 0.23 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2gsm h LYS 362 CO -0.31 0.45 0.08 0.82 -0.57 0.00 0.00 179.45 179.92 2gsm h ILE 363 N 0.60 1.19 -0.66 1.86 1.08 -0.96 -1.21 117.51 119.41 2gsm h ILE 363 Ca 0.16 -0.58 -0.08 0.00 -0.39 0.00 0.00 64.86 63.97 2gsm h ILE 363 Cb -0.01 1.11 -0.03 0.00 -3.07 0.00 0.00 36.82 34.83 2gsm h ILE 363 CO -0.03 0.19 0.09 -0.26 -0.69 0.00 0.00 178.15 177.45 2gsm h PHE 364 N 0.23 1.18 -0.16 1.37 0.04 -1.13 -2.46 116.94 116.00 2gsm h PHE 364 Ca 0.08 -0.17 -0.06 0.00 2.80 0.00 0.00 57.97 60.62 2gsm h PHE 364 Cb 0.22 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 2gsm h PHE 364 CO -0.00 0.99 -0.15 0.77 -0.60 0.00 0.00 178.31 179.32 2gsm h SER 365 N 1.02 0.26 -0.15 2.17 0.02 -0.83 0.62 113.55 116.66 2gsm h SER 365 Ca 0.20 -0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 60.94 2gsm h SER 365 Cb 0.46 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2gsm h SER 365 CO 0.02 0.44 -0.44 -0.50 -1.14 0.00 0.00 176.83 175.21 2gsm h TRP 366 N 0.25 0.85 -0.35 3.45 6.55 -0.98 -1.38 115.95 124.35 2gsm h TRP 366 Ca 0.05 -0.26 -0.10 0.00 0.95 0.00 0.00 58.89 59.52 2gsm h TRP 366 Cb 0.43 -0.18 -0.01 0.00 -0.86 0.00 0.00 29.16 28.54 2gsm h TRP 366 CO 0.01 1.02 -0.18 0.82 -1.05 0.00 0.00 178.44 179.06 2gsm h ILE 367 N 0.57 1.29 0.00 1.49 2.04 -0.96 -2.97 117.51 118.96 2gsm h ILE 367 Ca 0.04 -1.30 -0.03 0.00 1.00 0.00 0.00 64.86 64.57 2gsm h ILE 367 Cb 0.98 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 38.43 2gsm h ILE 367 CO 0.09 0.43 -0.13 0.00 0.00 0.00 0.00 178.15 178.54 2gsm h ALA 368 N 0.79 1.26 -0.13 1.87 0.00 -0.82 -1.26 119.26 120.97 2gsm h ALA 368 Ca 0.08 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 2gsm h ALA 368 Cb 0.72 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2gsm h ALA 368 CO 0.05 0.16 -0.49 1.15 0.00 0.00 0.00 179.25 180.12 2gsm h THR 369 N 0.00 1.33 0.06 0.00 2.02 -1.10 -3.19 112.91 112.04 2gsm h THR 369 Ca -0.00 -1.72 -0.25 0.00 0.77 0.00 0.00 66.41 65.20 2gsm h THR 369 Cb 0.37 1.78 0.01 0.00 -1.74 0.00 0.00 68.15 68.57 2gsm h THR 369 CO 0.02 0.52 -1.08 0.24 0.37 0.00 0.00 175.52 175.58 2gsm h MET 370 N 0.27 0.43 -6.44 6.66 2.07 -1.20 -3.41 114.93 113.31 2gsm h MET 370 Ca 0.01 -0.54 -0.58 0.00 -2.07 0.00 0.00 59.70 56.52 2gsm h MET 370 Cb 0.97 0.17 0.04 0.00 -1.87 0.00 0.00 31.60 30.91 2gsm h MET 370 CO 0.08 1.20 0.94 1.87 1.07 0.00 0.00 176.91 182.07 2gsm n TRP 371 N -3.71 2.36 -0.98 -0.22 -0.00 -0.57 -1.34 117.44 112.99 2gsm n TRP 371 Ca -0.09 0.11 0.00 0.00 -0.00 0.00 0.00 57.50 57.53 2gsm n TRP 371 Cb 0.91 -2.61 0.00 0.00 -0.00 0.00 0.00 31.31 29.61 2gsm n TRP 371 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2gsm n GLY 372 N 3.85 0.80 0.56 5.87 0.00 -1.26 -4.96 105.19 110.05 2gsm n GLY 372 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 2gsm n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gsm n GLY 373 N -2.24 -0.21 2.73 -0.02 0.00 -0.45 -5.07 105.19 99.92 2gsm n GLY 373 Ca 0.00 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 2gsm n GLY 373 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gsm s SER 374 N -1.65 3.62 -0.18 1.61 0.15 -0.50 -5.04 113.70 111.72 2gsm s SER 374 Ca 0.10 -3.07 -0.25 0.00 0.70 0.00 0.00 55.95 53.43 2gsm s SER 374 Cb -0.00 -1.14 -0.01 0.00 -1.71 0.00 0.00 66.02 63.15 2gsm s SER 374 CO 0.07 -0.20 0.84 -0.63 1.20 0.00 0.00 173.24 174.52 2gsm s ILE 375 N -0.24 4.87 -0.24 6.45 1.01 -1.26 -4.22 121.20 127.57 2gsm s ILE 375 Ca 0.22 1.64 -0.07 0.00 0.00 0.00 0.00 60.65 62.44 2gsm s ILE 375 Cb -0.14 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 2gsm s ILE 375 CO -0.08 0.01 0.07 -0.70 0.00 0.00 0.00 174.94 174.24 2gsm s GLU 376 N 2.27 3.68 -0.91 2.79 2.12 -0.00 -5.02 118.70 123.63 2gsm s GLU 376 Ca 0.38 -0.47 -0.05 0.00 0.36 0.00 0.00 54.97 55.19 2gsm s GLU 376 Cb -0.16 -3.31 0.06 0.00 0.26 0.00 0.00 34.13 30.98 2gsm s GLU 376 CO 0.12 -0.14 2.66 1.28 -0.54 0.00 0.00 175.26 178.63 2gsm n LEU 377 N 4.78 7.28 -4.84 2.70 4.77 -1.26 -4.78 117.00 125.65 2gsm n LEU 377 Ca -0.16 -4.42 -0.31 0.00 -0.03 0.00 0.00 56.01 51.09 2gsm n LEU 377 Cb 0.51 -1.32 0.04 0.00 -2.33 0.00 0.00 43.42 40.32 2gsm n LEU 377 CO 0.31 1.91 0.72 -0.54 -1.33 0.00 0.00 177.39 178.46 2gsm s LYS 378 N -1.05 3.07 0.23 3.23 -0.14 -1.26 -4.80 119.74 119.02 2gsm s LYS 378 Ca 0.58 0.83 -0.17 0.00 -1.36 0.00 0.00 55.97 55.85 2gsm s LYS 378 Cb 0.27 -2.01 0.24 0.00 -1.68 0.00 0.00 37.83 34.65 2gsm s LYS 378 CO -0.14 -0.97 1.57 1.15 -0.76 0.00 0.00 175.35 176.20 2gsm h THR 379 N -0.62 0.07 -0.83 2.17 2.02 -1.91 0.01 112.91 113.81 2gsm h THR 379 Ca -0.44 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.79 2gsm h THR 379 Cb 1.21 0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 2gsm h THR 379 CO 0.59 0.00 0.54 -0.65 0.37 0.00 0.00 175.52 176.38 2gsm h PRO 380 N -0.04 0.95 -0.48 6.66 0.11 -1.88 -0.76 132.00 136.55 2gsm h PRO 380 Ca 0.34 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.31 2gsm h PRO 380 Cb 0.60 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 2gsm h PRO 380 CO -0.90 0.63 -0.04 1.98 -0.21 0.00 0.00 178.00 179.46 2gsm h MET 381 N 0.98 0.82 -0.40 1.05 4.05 -1.34 -2.21 114.93 117.88 2gsm h MET 381 Ca 0.34 -0.24 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 2gsm h MET 381 Cb 0.12 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 2gsm h MET 381 CO -0.11 0.85 0.22 -0.07 0.23 0.00 0.00 176.91 178.03 2gsm h LEU 382 N 0.75 0.49 -0.72 3.39 3.38 -0.23 -1.34 115.31 121.03 2gsm h LEU 382 Ca 0.14 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2gsm h LEU 382 Cb 0.52 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2gsm h LEU 382 CO 0.03 0.43 0.45 -0.50 0.09 0.00 0.00 178.44 178.94 2gsm h TRP 383 N 0.51 0.84 -0.20 1.13 4.06 -1.16 -0.76 115.95 120.38 2gsm h TRP 383 Ca 0.14 0.02 -0.16 0.00 2.06 0.00 0.00 58.89 60.96 2gsm h TRP 383 Cb 0.05 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 27.92 2gsm h TRP 383 CO -0.03 0.48 -0.53 0.00 -3.56 0.00 0.00 178.44 174.80 2gsm h ALA 384 N 1.31 0.71 -0.18 1.49 0.00 -1.15 0.15 119.26 121.58 2gsm h ALA 384 Ca 0.29 -0.50 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 2gsm h ALA 384 Cb 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2gsm h ALA 384 CO -0.11 0.68 -0.59 -0.07 0.00 0.00 0.00 179.25 179.16 2gsm h LEU 385 N 0.44 0.66 -0.61 0.00 3.38 -1.12 -2.36 115.31 115.70 2gsm h LEU 385 Ca 0.01 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.63 2gsm h LEU 385 Cb 1.07 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 2gsm h LEU 385 CO 0.10 1.10 0.39 1.23 0.09 0.00 0.00 178.44 181.35 2gsm h GLY 386 N 1.01 0.87 0.38 0.83 0.00 -0.98 -2.68 103.07 102.51 2gsm h GLY 386 Ca 0.00 -0.30 0.08 0.00 0.00 0.00 0.00 47.33 47.11 2gsm h GLY 386 CO 0.11 0.27 0.07 -2.75 0.00 0.00 0.00 176.54 174.24 2gsm h PHE 387 N 0.78 0.10 -0.61 5.60 3.04 -0.74 -1.28 116.94 123.83 2gsm h PHE 387 Ca 0.24 0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.25 2gsm h PHE 387 Cb -0.03 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.46 2gsm h PHE 387 CO -0.04 -0.02 0.36 -0.07 -2.02 0.00 0.00 178.31 176.52 2gsm h LEU 388 N 0.20 0.58 0.03 0.59 3.38 -1.09 0.53 115.31 119.52 2gsm h LEU 388 Ca 0.23 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2gsm h LEU 388 Cb 0.30 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2gsm h LEU 388 CO -0.32 0.40 -0.01 0.15 0.09 0.00 0.00 178.44 178.75 2gsm h PHE 389 N 0.71 -0.03 -0.06 1.13 3.57 -1.36 -3.08 116.94 117.81 2gsm h PHE 389 Ca 0.25 -0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.52 2gsm h PHE 389 Cb 0.06 0.01 0.01 0.00 2.79 0.00 0.00 35.95 38.82 2gsm h PHE 389 CO -0.06 0.47 -0.88 -0.07 -2.23 0.00 0.00 178.31 175.53 2gsm h LEU 390 N -0.55 0.76 -1.17 0.59 3.38 -1.07 -2.09 115.31 115.16 2gsm h LEU 390 Ca -0.00 -0.55 -0.06 0.00 0.09 0.00 0.00 57.88 57.35 2gsm h LEU 390 Cb 0.51 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2gsm h LEU 390 CO 0.01 1.34 -0.09 0.15 0.09 0.00 0.00 178.44 179.94 2gsm h PHE 391 N 0.39 0.50 -0.20 1.13 3.57 -1.05 -1.61 116.94 119.67 2gsm h PHE 391 Ca -0.08 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 2gsm h PHE 391 Cb 1.51 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 40.10 2gsm h PHE 391 CO 0.08 0.56 0.07 1.15 -2.23 0.00 0.00 178.31 177.93 2gsm h THR 392 N 0.44 1.17 -0.25 4.41 2.02 -1.40 0.41 112.91 119.72 2gsm h THR 392 Ca 0.09 -0.54 0.06 0.00 0.77 0.00 0.00 66.41 66.79 2gsm h THR 392 Cb 0.43 1.17 -0.06 0.00 -1.74 0.00 0.00 68.15 67.95 2gsm h THR 392 CO 0.02 0.17 -0.14 0.58 0.37 0.00 0.00 175.52 176.52 2gsm h VAL 393 N 0.15 0.57 -0.65 3.16 2.07 -1.18 -0.82 116.25 119.56 2gsm h VAL 393 Ca 0.06 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 2gsm h VAL 393 Cb 0.20 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2gsm h VAL 393 CO -0.00 0.00 0.21 1.23 0.02 0.00 0.00 177.57 179.03 2gsm h GLY 394 N -0.12 1.07 1.34 2.17 0.00 -1.22 -2.77 103.07 103.54 2gsm h GLY 394 Ca 0.14 -0.62 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 2gsm h GLY 394 CO -0.33 0.58 -0.00 -1.33 0.00 0.00 0.00 176.54 175.47 2gsm h GLY 395 N 0.93 0.87 1.64 4.60 0.00 0.19 -1.03 103.07 110.27 2gsm h GLY 395 Ca 0.21 -0.59 -0.15 0.00 0.00 0.00 0.00 47.33 46.80 2gsm h GLY 395 CO -0.01 0.54 -0.58 -0.24 0.00 0.00 0.00 176.54 176.26 2gsm h VAL 396 N 0.75 1.35 -0.12 4.60 3.04 -1.11 -1.73 116.25 123.03 2gsm h VAL 396 Ca 0.15 -1.88 -0.15 0.00 -1.01 0.00 0.00 66.70 63.80 2gsm h VAL 396 Cb 0.46 1.90 -0.01 0.00 -2.01 0.00 0.00 31.29 31.63 2gsm h VAL 396 CO 0.02 0.57 -0.57 0.74 -1.01 0.00 0.00 177.57 177.32 2gsm h THR 397 N 0.28 1.35 -0.56 3.17 2.02 -1.26 -2.32 112.91 115.58 2gsm h THR 397 Ca -0.00 -1.86 0.10 0.00 0.77 0.00 0.00 66.41 65.42 2gsm h THR 397 Cb 1.09 1.88 -0.08 0.00 -1.74 0.00 0.00 68.15 69.30 2gsm h THR 397 CO 0.10 0.56 0.13 1.23 0.37 0.00 0.00 175.52 177.91 2gsm h GLY 398 N 1.27 0.72 1.45 2.16 0.00 -0.51 -1.93 103.07 106.23 2gsm h GLY 398 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 2gsm h GLY 398 CO 0.10 -0.08 -0.24 -2.22 0.00 0.00 0.00 176.54 174.09 2gsm h ILE 399 N 0.27 1.27 -0.34 2.60 1.08 -0.95 -2.02 117.51 119.43 2gsm h ILE 399 Ca 0.29 -1.31 0.05 0.00 -0.39 0.00 0.00 64.86 63.50 2gsm h ILE 399 Cb 0.40 1.28 -0.05 0.00 -3.07 0.00 0.00 36.82 35.39 2gsm h ILE 399 CO -0.36 0.43 0.05 0.58 -0.69 0.00 0.00 178.15 178.16 2gsm h VAL 400 N 0.55 0.82 0.00 1.67 2.07 -1.17 -2.62 116.25 117.57 2gsm h VAL 400 Ca 0.08 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 2gsm h VAL 400 Cb 0.71 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2gsm h VAL 400 CO 0.05 0.03 -0.14 -0.07 0.02 0.00 0.00 177.57 177.46 2gsm h LEU 401 N 0.16 0.00 -1.81 2.57 3.38 -0.98 -2.04 115.31 116.59 2gsm h LEU 401 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2gsm h LEU 401 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2gsm h LEU 401 CO -0.22 0.14 -0.15 0.77 0.09 0.00 0.00 178.44 179.07 2gsm h SER 402 N 0.00 0.00 -1.42 -0.43 4.64 -0.98 -3.39 113.55 111.97 2gsm h SER 402 Ca -0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.82 2gsm h SER 402 Cb 0.33 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.35 2gsm h SER 402 CO 0.02 0.15 1.19 -1.10 -0.87 0.00 0.00 176.83 176.22 2gsm s GLN 403 N -4.33 3.10 0.42 4.77 -1.52 -0.77 -4.49 119.66 116.83 2gsm s GLN 403 Ca -0.03 -0.46 0.24 0.00 -1.95 0.00 0.00 55.36 53.16 2gsm s GLN 403 Cb 0.14 -4.88 1.26 0.00 -0.22 0.00 0.00 33.01 29.31 2gsm s GLN 403 CO 0.62 -2.57 1.71 0.00 -0.25 0.00 0.00 175.29 174.81 2gsm h ALA 404 N 10.98 2.49 0.00 6.09 0.00 -1.86 0.19 119.26 137.15 2gsm h ALA 404 Ca 0.00 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2gsm h ALA 404 Cb 1.04 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2gsm h ALA 404 CO 1.31 -0.98 -0.39 0.66 0.00 0.00 0.00 179.25 179.85 2gsm h SER 405 N 0.25 0.00 0.43 0.00 4.64 -1.94 -1.33 113.55 115.60 2gsm h SER 405 Ca 0.69 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.70 2gsm h SER 405 Cb 1.99 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.04 2gsm h SER 405 CO -0.33 0.39 -1.69 0.58 -0.87 0.00 0.00 176.83 174.91 2gsm h VAL 406 N 0.00 0.92 -0.14 0.95 2.07 -1.02 -3.33 116.25 115.70 2gsm h VAL 406 Ca -0.00 -2.68 0.04 0.00 0.82 0.00 0.00 66.70 64.87 2gsm h VAL 406 Cb 0.78 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 2gsm h VAL 406 CO 0.05 0.69 0.11 -0.78 0.02 0.00 0.00 177.57 177.66 2gsm h ASP 407 N 0.03 0.00 -0.81 0.57 3.58 -0.84 -2.00 116.42 116.95 2gsm h ASP 407 Ca -0.29 0.00 0.19 0.00 0.42 0.00 0.00 57.03 57.35 2gsm h ASP 407 Cb 2.00 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 42.92 2gsm h ASP 407 CO 0.10 0.00 0.17 -0.09 -2.88 0.00 0.00 179.24 176.54 2gsm h ARG 408 N 0.00 0.21 0.17 0.28 9.65 -1.36 0.63 114.38 123.96 2gsm h ARG 408 Ca 0.06 -0.01 -0.24 0.00 -1.10 0.00 0.00 59.98 58.69 2gsm h ARG 408 Cb 0.28 -0.05 0.03 0.00 -1.39 0.00 0.00 29.97 28.84 2gsm h ARG 408 CO -0.00 0.14 -1.04 -0.92 2.80 0.00 0.00 179.97 180.94 2gsm h TYR 409 N 0.21 0.71 0.00 2.20 5.03 -1.60 -3.38 116.97 120.15 2gsm h TYR 409 Ca 0.48 -0.51 -0.13 0.00 2.58 0.00 0.00 58.73 61.15 2gsm h TYR 409 Cb 0.89 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 39.12 2gsm h TYR 409 CO -0.30 1.40 -0.77 1.88 -1.32 0.00 0.00 178.16 179.05 2gsm h TYR 410 N -0.17 0.00 -2.87 -3.82 0.05 -0.95 -3.45 116.97 105.76 2gsm h TYR 410 Ca -0.18 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 58.02 2gsm h TYR 410 Cb 1.82 0.00 0.09 0.00 1.01 0.00 0.00 36.73 39.65 2gsm h TYR 410 CO 0.17 0.55 0.59 1.58 -1.05 0.00 0.00 178.16 180.00 2gsm n HIS 411 N -3.15 2.22 -3.12 4.88 -0.00 0.21 -1.35 115.22 114.91 2gsm n HIS 411 Ca -0.01 0.46 -0.23 0.00 0.46 0.00 0.00 57.72 58.40 2gsm n HIS 411 Cb 0.77 -2.45 0.03 0.00 -0.12 0.00 0.00 29.99 28.22 2gsm n HIS 411 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2gsm n ASP 412 N 1.77 -5.73 -4.52 0.26 8.00 -1.26 -4.99 116.55 110.09 2gsm n ASP 412 Ca 0.10 -0.32 -0.27 0.00 0.71 0.00 0.00 54.79 55.00 2gsm n ASP 412 Cb 0.33 -4.63 -0.09 0.00 -0.02 0.00 0.00 41.12 36.70 2gsm n ASP 412 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2gsm s THR 413 N -3.15 1.28 -0.75 -3.53 -4.23 -0.46 -1.87 115.64 102.94 2gsm s THR 413 Ca 0.34 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.03 2gsm s THR 413 Cb -0.16 -2.58 0.17 0.00 1.34 0.00 0.00 72.50 71.27 2gsm s THR 413 CO 0.42 0.00 1.54 -1.22 -0.54 0.00 0.00 174.62 174.82 2gsm n TYR 414 N -0.97 0.37 -0.22 3.99 4.02 -0.64 -2.33 117.16 121.37 2gsm n TYR 414 Ca -0.09 0.15 -0.06 0.00 -0.01 0.00 0.00 57.90 57.89 2gsm n TYR 414 Cb 0.66 -0.74 0.04 0.00 -0.02 0.00 0.00 39.34 39.28 2gsm n TYR 414 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 2gsm h TYR 415 N 0.00 0.81 -0.47 -0.72 5.03 -1.82 0.19 116.97 119.99 2gsm h TYR 415 Ca 0.00 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 2gsm h TYR 415 Cb 0.27 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 38.26 2gsm h TYR 415 CO 0.00 0.54 0.24 0.28 -1.32 0.00 0.00 178.16 177.89 2gsm h VAL 416 N 0.84 1.18 -0.82 1.81 2.07 -1.67 -1.46 116.25 118.20 2gsm h VAL 416 Ca 0.23 -0.48 0.07 0.00 0.82 0.00 0.00 66.70 67.33 2gsm h VAL 416 Cb -0.05 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 2gsm h VAL 416 CO -0.04 0.19 0.50 0.58 0.02 0.00 0.00 177.57 178.81 2gsm h VAL 417 N 0.61 1.01 -0.35 2.57 2.07 -1.46 -1.26 116.25 119.44 2gsm h VAL 417 Ca 0.16 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2gsm h VAL 417 Cb 0.09 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 2gsm h VAL 417 CO -0.02 0.16 0.12 0.00 0.02 0.00 0.00 177.57 177.85 2gsm h ALA 418 N 1.40 0.46 0.15 1.67 0.00 -0.21 -2.24 119.26 120.49 2gsm h ALA 418 Ca 0.36 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2gsm h ALA 418 Cb 0.20 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2gsm h ALA 418 CO -0.18 0.08 -0.40 1.25 0.00 0.00 0.00 179.25 180.00 2gsm h HIS 419 N 0.42 -1.13 -0.02 0.00 6.17 -0.76 -1.84 115.15 118.00 2gsm h HIS 419 Ca 0.12 0.03 -0.12 0.00 0.71 0.00 0.00 60.37 61.10 2gsm h HIS 419 Cb 0.22 0.47 -0.02 0.00 2.52 0.00 0.00 27.41 30.61 2gsm h HIS 419 CO 0.00 -0.51 -0.55 0.27 0.71 0.00 0.00 177.93 177.85 2gsm h PHE 420 N -0.66 0.06 -0.03 5.26 -5.15 -1.17 -2.23 116.94 113.01 2gsm h PHE 420 Ca 0.02 -0.02 -0.11 0.00 -0.20 0.00 0.00 57.97 57.66 2gsm h PHE 420 Cb 0.67 -0.01 -0.01 0.00 0.22 0.00 0.00 35.95 36.82 2gsm h PHE 420 CO -0.34 0.59 -0.48 0.45 -2.00 0.00 0.00 178.31 176.53 2gsm h HIS 421 N 0.04 0.09 -0.13 6.09 3.86 -1.35 -1.06 115.15 122.69 2gsm h HIS 421 Ca -0.00 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2gsm h HIS 421 Cb 0.99 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.43 2gsm h HIS 421 CO 0.00 0.54 0.04 1.88 0.86 0.00 0.00 177.93 181.25 2gsm h TYR 422 N 0.06 0.21 0.00 2.45 -1.99 -0.74 0.25 116.97 117.21 2gsm h TYR 422 Ca 0.00 -0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.61 2gsm h TYR 422 Cb 0.87 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.52 2gsm h TYR 422 CO 0.00 0.34 -0.44 -0.39 -0.00 0.00 0.00 178.16 177.67 2gsm h VAL 423 N 0.02 1.08 0.00 -2.88 -1.51 -1.44 -1.97 116.25 109.56 2gsm h VAL 423 Ca 0.04 -1.66 -0.19 0.00 -1.23 0.00 0.00 66.70 63.66 2gsm h VAL 423 Cb 0.23 1.96 -0.03 0.00 -2.13 0.00 0.00 31.29 31.32 2gsm h VAL 423 CO -0.00 0.44 -1.55 0.23 -1.23 0.00 0.00 177.57 175.45 2gsm n MET 424 N -3.67 0.55 0.08 5.19 2.81 -0.41 -1.41 117.12 120.26 2gsm n MET 424 Ca -0.01 0.27 0.12 0.00 -1.81 0.00 0.00 57.70 56.28 2gsm n MET 424 Cb 0.53 -1.49 0.18 0.00 -0.71 0.00 0.00 33.22 31.73 2gsm n MET 424 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2gsm h SER 425 N -1.00 0.00 -0.04 7.83 0.87 -0.72 0.25 113.55 120.74 2gsm h SER 425 Ca -0.28 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2gsm h SER 425 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2gsm h SER 425 CO -0.17 0.08 0.00 0.18 -0.53 0.00 0.00 176.83 176.39 2gsm n LEU 426 N -2.22 1.74 0.00 2.23 7.99 -0.67 -4.54 117.00 121.51 2gsm n LEU 426 Ca 0.03 -1.55 0.00 0.00 -0.01 0.00 0.00 56.01 54.48 2gsm n LEU 426 Cb 0.45 -0.03 0.00 0.00 -0.11 0.00 0.00 43.42 43.74 2gsm n LEU 426 CO 0.36 0.42 0.00 0.61 -1.51 0.00 0.00 177.39 177.27 2gsm n GLY 427 N -0.10 0.49 0.36 -0.72 0.00 -0.76 -4.34 105.19 100.11 2gsm n GLY 427 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 2gsm n GLY 427 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gsm h ALA 428 N 0.74 1.64 -0.54 4.61 0.00 -0.94 0.49 119.26 125.26 2gsm h ALA 428 Ca 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2gsm h ALA 428 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2gsm h ALA 428 CO 0.00 0.04 0.02 0.28 0.00 0.00 0.00 179.25 179.59 2gsm h VAL 429 N 0.84 1.25 -0.16 0.00 2.07 -1.21 -0.62 116.25 118.42 2gsm h VAL 429 Ca 0.55 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 2gsm h VAL 429 Cb 0.76 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2gsm h VAL 429 CO -0.33 0.37 -0.17 -0.26 0.02 0.00 0.00 177.57 177.19 2gsm h PHE 430 N 0.84 0.27 -0.41 1.57 -1.00 -1.20 -0.94 116.94 116.07 2gsm h PHE 430 Ca 0.16 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.91 2gsm h PHE 430 Cb 0.47 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 39.93 2gsm h PHE 430 CO 0.03 0.43 0.26 0.78 -1.61 0.00 0.00 178.31 178.20 2gsm h GLY 431 N 0.84 0.58 0.93 -1.45 0.00 -0.32 -0.79 103.07 102.87 2gsm h GLY 431 Ca 0.05 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.16 2gsm h GLY 431 CO 0.03 0.22 0.15 -2.22 0.00 0.00 0.00 176.54 174.72 2gsm h ILE 432 N 0.55 1.03 -0.56 2.60 2.04 -0.38 -1.16 117.51 121.62 2gsm h ILE 432 Ca 0.15 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 2gsm h ILE 432 Cb -0.04 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2gsm h ILE 432 CO -0.03 0.06 0.13 -0.26 0.00 0.00 0.00 178.15 178.04 2gsm h PHE 433 N 0.32 0.95 -0.35 1.37 0.04 -1.14 -0.29 116.94 117.84 2gsm h PHE 433 Ca 0.10 -0.12 0.05 0.00 2.80 0.00 0.00 57.97 60.81 2gsm h PHE 433 Cb 0.00 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 37.84 2gsm h PHE 433 CO -0.08 0.82 0.05 0.00 -0.60 0.00 0.00 178.31 178.50 2gsm h ALA 434 N 1.02 0.35 -0.68 2.45 0.00 -1.00 -1.27 119.26 120.14 2gsm h ALA 434 Ca 0.17 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.19 2gsm h ALA 434 Cb 0.35 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2gsm h ALA 434 CO 0.00 -0.35 0.42 0.78 0.00 0.00 0.00 179.25 180.10 2gsm h GLY 435 N 0.17 0.98 0.89 0.00 0.00 -0.97 -1.24 103.07 102.90 2gsm h GLY 435 Ca 0.16 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 2gsm h GLY 435 CO -0.23 0.26 0.02 -2.22 0.00 0.00 0.00 176.54 174.37 2gsm h ILE 436 N 0.82 1.25 0.00 2.60 2.04 -0.42 -1.67 117.51 122.13 2gsm h ILE 436 Ca 0.28 -0.89 -0.13 0.00 1.00 0.00 0.00 64.86 65.12 2gsm h ILE 436 Cb 0.03 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2gsm h ILE 436 CO -0.11 0.29 -0.64 1.88 0.00 0.00 0.00 178.15 179.57 2gsm h TYR 437 N 0.34 0.00 -0.17 1.37 0.05 -1.18 -1.93 116.97 115.45 2gsm h TYR 437 Ca 0.09 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.73 2gsm h TYR 437 Cb 0.40 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 2gsm h TYR 437 CO 0.03 0.64 -0.50 0.35 -1.05 0.00 0.00 178.16 177.64 2gsm h PHE 438 N 0.00 0.54 -0.01 4.88 3.57 -1.08 -3.36 116.94 121.49 2gsm h PHE 438 Ca -0.01 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.32 2gsm h PHE 438 Cb 1.16 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.79 2gsm h PHE 438 CO 0.00 0.85 0.00 0.91 -2.23 0.00 0.00 178.31 177.84 2gsm n TRP 439 N -3.97 0.01 0.08 0.41 8.01 -0.64 -4.75 117.44 116.58 2gsm n TRP 439 Ca -0.02 -0.11 -0.06 0.00 -1.31 0.00 0.00 57.50 55.99 2gsm n TRP 439 Cb 0.56 -0.01 0.10 0.00 -2.01 0.00 0.00 31.31 29.95 2gsm n TRP 439 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 2gsm h ILE 440 N 0.22 1.39 -0.63 -0.99 -0.00 -1.50 -1.33 117.51 114.67 2gsm h ILE 440 Ca 0.00 -2.02 -0.07 0.00 -0.00 0.00 0.00 64.86 62.77 2gsm h ILE 440 Cb 0.15 2.02 -0.02 0.00 -0.00 0.00 0.00 36.82 38.97 2gsm h ILE 440 CO 0.00 0.60 0.11 1.23 -0.00 0.00 0.00 178.15 180.09 2gsm h GLY 441 N 1.45 1.12 0.99 8.18 0.00 -1.84 -1.48 103.07 111.49 2gsm h GLY 441 Ca -0.01 -0.74 -0.05 0.00 0.00 0.00 0.00 47.33 46.53 2gsm h GLY 441 CO 0.10 0.68 0.13 1.70 0.00 0.00 0.00 176.54 179.15 2gsm h LYS 442 N 0.95 0.86 0.08 4.80 1.63 -1.81 0.49 116.57 123.57 2gsm h LYS 442 Ca 0.19 -0.21 -0.25 0.00 -0.85 0.00 0.00 60.65 59.53 2gsm h LYS 442 Cb 0.42 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 2gsm h LYS 442 CO 0.01 0.81 -1.14 0.52 -3.45 0.00 0.00 179.45 176.20 2gsm h MET 443 N 0.75 0.20 0.00 1.90 2.86 -1.23 -3.33 114.93 116.08 2gsm h MET 443 Ca 0.17 -0.32 -0.17 0.00 -2.06 0.00 0.00 59.70 57.32 2gsm h MET 443 Cb 0.34 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 2gsm h MET 443 CO 0.00 1.14 -1.82 -1.13 1.06 0.00 0.00 176.91 176.17 2gsm n SER 444 N -3.50 1.82 0.00 1.22 3.41 -0.56 -4.68 113.62 111.33 2gsm n SER 444 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2gsm n SER 444 Cb 0.98 1.04 0.00 0.00 -0.26 0.00 0.00 64.21 65.98 2gsm n SER 444 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gsm n GLY 445 N 2.07 0.84 3.22 5.00 0.00 0.17 -4.64 105.19 111.84 2gsm n GLY 445 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 2gsm n GLY 445 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gsm s ARG 446 N -0.32 1.23 -0.02 1.61 0.52 -1.24 0.60 118.95 121.32 2gsm s ARG 446 Ca 0.00 -0.90 -0.01 0.00 -0.52 0.00 0.00 55.73 54.30 2gsm s ARG 446 Cb 0.00 -1.32 -0.04 0.00 0.52 0.00 0.00 34.95 34.11 2gsm s ARG 446 CO 0.00 0.33 0.07 -1.14 0.02 0.00 0.00 175.30 174.58 2gsm s GLN 447 N -1.21 3.06 0.37 3.54 2.00 0.21 -3.30 119.66 124.33 2gsm s GLN 447 Ca 0.06 -0.46 -0.24 0.00 -2.00 0.00 0.00 55.36 52.72 2gsm s GLN 447 Cb -0.09 -2.86 -0.10 0.00 0.80 0.00 0.00 33.01 30.76 2gsm s GLN 447 CO 0.02 0.66 0.95 1.52 -0.50 0.00 0.00 175.29 177.94 2gsm s TYR 448 N -1.14 3.51 -0.12 1.67 1.13 -1.26 -3.84 117.35 117.29 2gsm s TYR 448 Ca 0.21 1.70 -0.29 0.00 -1.41 0.00 0.00 57.07 57.28 2gsm s TYR 448 Cb -0.12 -2.91 -0.05 0.00 -1.10 0.00 0.00 41.96 37.78 2gsm s TYR 448 CO 0.12 0.02 1.75 -1.25 -2.51 0.00 0.00 175.55 173.67 2gsm s PRO 449 N -2.54 3.91 0.24 -3.49 0.04 -1.26 -4.92 135.00 126.97 2gsm s PRO 449 Ca 0.56 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 63.56 2gsm s PRO 449 Cb -0.15 -4.07 0.28 0.00 0.04 0.00 0.00 34.50 30.59 2gsm s PRO 449 CO 0.20 -1.18 1.88 1.49 0.04 0.00 0.00 177.00 179.43 2gsm h GLU 450 N 10.78 1.06 -0.50 4.56 4.57 -2.00 -0.83 114.58 132.22 2gsm h GLU 450 Ca -0.39 -0.06 0.08 0.00 -1.18 0.00 0.00 59.36 57.81 2gsm h GLU 450 Cb 1.18 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 29.51 2gsm h GLU 450 CO 0.97 0.70 0.34 0.11 -1.18 0.00 0.00 179.01 179.95 2gsm h TRP 451 N 1.09 0.34 0.15 0.92 5.08 -2.00 -2.41 115.95 119.12 2gsm h TRP 451 Ca 0.35 0.01 -0.29 0.00 1.08 0.00 0.00 58.89 60.04 2gsm h TRP 451 Cb 0.02 -0.11 0.01 0.00 -3.00 0.00 0.00 29.16 26.08 2gsm h TRP 451 CO -0.02 0.17 -1.33 0.00 -1.28 0.00 0.00 178.44 175.99 2gsm h ALA 452 N 1.74 0.06 -0.58 0.11 0.00 -1.56 -1.01 119.26 118.03 2gsm h ALA 452 Ca 0.23 -0.90 0.04 0.00 0.00 0.00 0.00 54.91 54.27 2gsm h ALA 452 Cb 0.47 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2gsm h ALA 452 CO -0.05 0.93 0.38 0.78 0.00 0.00 0.00 179.25 181.29 2gsm h GLY 453 N 1.30 0.75 0.97 0.00 0.00 -1.22 0.89 103.07 105.75 2gsm h GLY 453 Ca -0.17 -0.26 -0.20 0.00 0.00 0.00 0.00 47.33 46.70 2gsm h GLY 453 CO 0.22 0.22 -0.78 0.50 0.00 0.00 0.00 176.54 176.69 2gsm h LYS 454 N 0.65 0.55 -0.61 4.80 1.57 -1.33 -1.69 116.57 120.52 2gsm h LYS 454 Ca 0.23 -0.58 -0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2gsm h LYS 454 Cb 0.11 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2gsm h LYS 454 CO -0.06 1.20 0.37 1.25 -0.57 0.00 0.00 179.45 181.64 2gsm h LEU 455 N 0.14 0.73 0.08 2.94 5.85 -0.92 -1.71 115.31 122.42 2gsm h LEU 455 Ca -0.09 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.58 2gsm h LEU 455 Cb 1.46 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 2gsm h LEU 455 CO 0.15 0.57 -0.12 -0.74 -0.34 0.00 0.00 178.44 177.96 2gsm h HIS 456 N 0.82 -0.32 -0.24 1.25 2.76 -0.86 -1.80 115.15 116.76 2gsm h HIS 456 Ca 0.22 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.45 2gsm h HIS 456 Cb -0.02 0.13 -0.07 0.00 1.55 0.00 0.00 27.41 29.00 2gsm h HIS 456 CO -0.02 -0.19 -0.25 0.35 -1.30 0.00 0.00 177.93 176.52 2gsm h PHE 457 N -0.25 -0.65 -0.39 5.26 3.57 -1.04 -1.50 116.94 121.94 2gsm h PHE 457 Ca 0.02 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.44 2gsm h PHE 457 Cb 0.27 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2gsm h PHE 457 CO -0.14 -0.32 -0.23 -1.49 -2.23 0.00 0.00 178.31 173.89 2gsm h TRP 458 N -0.25 0.90 -0.50 0.41 4.06 -1.22 0.39 115.95 119.73 2gsm h TRP 458 Ca 0.14 -0.21 -0.01 0.00 2.06 0.00 0.00 58.89 60.87 2gsm h TRP 458 Cb 0.46 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.39 2gsm h TRP 458 CO -0.40 0.94 0.28 0.52 -3.56 0.00 0.00 178.44 176.22 2gsm h MET 459 N 0.68 0.69 -0.31 0.49 2.86 -1.12 -1.78 114.93 116.44 2gsm h MET 459 Ca 0.09 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 2gsm h MET 459 Cb 0.75 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 2gsm h MET 459 CO 0.06 0.53 -0.04 1.98 1.06 0.00 0.00 176.91 180.50 2gsm h MET 460 N 0.66 0.58 -0.51 1.72 1.85 -1.08 -0.80 114.93 117.34 2gsm h MET 460 Ca 0.18 -0.20 0.03 0.00 -0.61 0.00 0.00 59.70 59.09 2gsm h MET 460 Cb 0.03 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 31.98 2gsm h MET 460 CO -0.03 0.74 0.29 0.35 -0.40 0.00 0.00 176.91 177.86 2gsm h PHE 461 N 0.36 0.55 0.19 1.39 3.04 -0.80 0.32 116.94 121.99 2gsm h PHE 461 Ca 0.08 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 2gsm h PHE 461 Cb 0.50 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.84 2gsm h PHE 461 CO 0.04 0.30 -0.09 0.28 -2.02 0.00 0.00 178.31 176.83 2gsm h VAL 462 N 0.58 0.76 -0.34 1.41 2.07 -1.33 -2.88 116.25 116.52 2gsm h VAL 462 Ca 0.21 -1.05 0.05 0.00 0.82 0.00 0.00 66.70 66.73 2gsm h VAL 462 Cb 0.05 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 2gsm h VAL 462 CO -0.11 0.19 0.06 1.23 0.02 0.00 0.00 177.57 178.96 2gsm h GLY 463 N -0.88 0.39 1.40 2.17 0.00 -1.05 -0.91 103.07 104.19 2gsm h GLY 463 Ca -0.03 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 2gsm h GLY 463 CO 0.04 -0.03 -0.08 0.00 0.00 0.00 0.00 176.54 176.47 2gsm h ALA 464 N 1.26 1.08 -0.40 3.60 0.00 -0.46 -0.46 119.26 123.88 2gsm h ALA 464 Ca 0.16 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2gsm h ALA 464 Cb 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2gsm h ALA 464 CO -0.22 0.57 -0.13 -0.91 0.00 0.00 0.00 179.25 178.56 2gsm h ASN 465 N 0.67 0.80 0.01 0.00 2.35 -1.25 -2.21 115.58 115.95 2gsm h ASN 465 Ca 0.12 -0.38 -0.03 0.00 -0.55 0.00 0.00 56.30 55.46 2gsm h ASN 465 Cb 0.53 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 2gsm h ASN 465 CO 0.03 1.00 -0.07 -0.07 -1.65 0.00 0.00 177.43 176.67 2gsm h LEU 466 N 0.60 0.15 0.02 1.61 3.38 -0.89 -0.90 115.31 119.28 2gsm h LEU 466 Ca 0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2gsm h LEU 466 Cb 0.67 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2gsm h LEU 466 CO 0.05 0.25 -0.01 0.74 0.09 0.00 0.00 178.44 179.56 2gsm h THR 467 N 0.16 1.28 0.00 0.22 2.02 -0.87 -3.32 112.91 112.39 2gsm h THR 467 Ca 0.04 -0.94 -0.23 0.00 0.77 0.00 0.00 66.41 66.05 2gsm h THR 467 Cb 0.24 1.91 -0.04 0.00 -1.74 0.00 0.00 68.15 68.51 2gsm h THR 467 CO 0.01 0.24 -2.13 0.49 0.37 0.00 0.00 175.52 174.50 2gsm n PHE 468 N -4.91 0.00 -0.07 3.16 3.72 -0.85 -4.40 117.46 114.11 2gsm n PHE 468 Ca -0.08 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.22 2gsm n PHE 468 Cb 0.22 -0.75 -0.03 0.00 -0.94 0.00 0.00 39.48 37.98 2gsm n PHE 468 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2gsm h PHE 469 N 0.00 0.34 0.00 1.38 3.57 -1.39 -2.07 116.94 118.76 2gsm h PHE 469 Ca -0.34 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.16 2gsm h PHE 469 Cb 1.74 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.37 2gsm h PHE 469 CO 0.00 0.26 0.00 -1.35 -2.23 0.00 0.00 178.31 174.99 2gsm h PRO 470 N 0.31 0.00 0.00 6.41 0.11 -1.78 -1.69 132.00 135.36 2gsm h PRO 470 Ca 0.09 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 2gsm h PRO 470 Cb 0.03 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.14 2gsm h PRO 470 CO -0.02 0.00 -0.05 1.96 -0.21 0.00 0.00 178.00 179.68 2gsm h GLN 471 N 0.00 0.00 -0.54 1.05 4.20 -1.58 -1.77 115.11 116.48 2gsm h GLN 471 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2gsm h GLN 471 Cb 0.02 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 2gsm h GLN 471 CO 0.00 0.05 0.27 0.45 -0.67 0.00 0.00 178.83 178.93 2gsm h HIS 472 N 0.00 0.76 -0.19 2.96 3.86 -1.40 -1.58 115.15 119.56 2gsm h HIS 472 Ca -0.00 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2gsm h HIS 472 Cb 0.43 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 2gsm h HIS 472 CO 0.00 0.58 0.09 0.74 0.86 0.00 0.00 177.93 180.21 2gsm h PHE 473 N 0.72 0.28 -0.78 2.45 0.04 -1.48 -0.33 116.94 117.83 2gsm h PHE 473 Ca 0.19 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.97 2gsm h PHE 473 Cb 0.09 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 2gsm h PHE 473 CO -0.01 0.30 0.50 -0.07 -0.60 0.00 0.00 178.31 178.43 2gsm h LEU 474 N 0.18 0.85 -0.46 1.54 3.38 -1.39 0.28 115.31 119.69 2gsm h LEU 474 Ca 0.07 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2gsm h LEU 474 Cb 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2gsm h LEU 474 CO -0.01 0.60 0.23 1.23 0.09 0.00 0.00 178.44 180.58 2gsm h GLY 475 N 1.00 0.70 1.58 0.83 0.00 -0.98 0.06 103.07 106.27 2gsm h GLY 475 Ca 0.30 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 2gsm h GLY 475 CO -0.09 0.33 0.03 3.21 0.00 0.00 0.00 176.54 180.01 2gsm h ARG 476 N 0.60 0.52 0.00 4.80 3.08 -0.66 -1.24 114.38 121.48 2gsm h ARG 476 Ca 0.16 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2gsm h ARG 476 Cb 0.10 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2gsm h ARG 476 CO -0.02 0.53 0.00 1.04 -1.07 0.00 0.00 179.97 180.45 2gsm n GLN 477 N -4.30 0.46 -0.32 0.04 1.13 0.05 -4.92 117.38 109.52 2gsm n GLN 477 Ca 0.02 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 2gsm n GLN 477 Cb 0.22 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.07 2gsm n GLN 477 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gsm n GLY 478 N 1.01 0.81 3.66 1.08 0.00 -0.47 -5.05 105.19 106.22 2gsm n GLY 478 Ca 0.14 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2gsm n GLY 478 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2gsm s MET 479 N -0.64 4.15 0.71 1.61 1.75 -0.07 -4.99 119.30 121.82 2gsm s MET 479 Ca 0.00 1.89 -0.11 0.00 -1.25 0.00 0.00 55.69 56.22 2gsm s MET 479 Cb 0.00 -3.90 0.02 0.00 2.84 0.00 0.00 34.83 33.79 2gsm s MET 479 CO 0.00 -0.85 1.07 -2.14 -0.65 0.00 0.00 175.02 172.45 2gsm s PRO 480 N 3.90 2.76 0.57 4.11 0.02 -1.26 -1.63 135.00 143.46 2gsm s PRO 480 Ca 0.65 1.05 -0.15 0.00 0.02 0.00 0.00 61.00 62.57 2gsm s PRO 480 Cb -0.27 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.23 2gsm s PRO 480 CO 0.23 -1.24 1.02 1.03 -0.33 0.00 0.00 177.00 177.71 2gsm s ARG 481 N -4.89 3.63 -0.77 5.54 0.52 -0.78 -4.32 118.95 117.88 2gsm s ARG 481 Ca 0.60 1.01 -0.01 0.00 -0.52 0.00 0.00 55.73 56.81 2gsm s ARG 481 Cb -0.15 -2.08 0.00 0.00 0.52 0.00 0.00 34.95 33.23 2gsm s ARG 481 CO 0.53 -0.54 0.09 0.54 0.02 0.00 0.00 175.30 175.94 2gsm n ARG 482 N -1.98 -1.23 -4.15 3.54 1.74 -1.26 -4.99 116.66 108.34 2gsm n ARG 482 Ca 0.07 0.44 -0.35 0.00 -0.77 0.00 0.00 57.85 57.25 2gsm n ARG 482 Cb 0.54 -4.39 -0.12 0.00 -1.02 0.00 0.00 32.46 27.46 2gsm n ARG 482 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2gsm s TYR 483 N -2.58 3.05 0.35 -1.55 1.51 -1.26 -4.89 117.35 111.97 2gsm s TYR 483 Ca 0.04 -0.38 0.11 0.00 -1.01 0.00 0.00 57.07 55.83 2gsm s TYR 483 Cb -0.02 -2.05 0.63 0.00 -0.11 0.00 0.00 41.96 40.41 2gsm s TYR 483 CO 0.06 -0.16 1.79 0.97 -1.11 0.00 0.00 175.55 177.09 2gsm h ILE 484 N 5.28 1.28 -3.94 2.71 2.10 -1.95 -3.46 117.51 119.53 2gsm h ILE 484 Ca -0.35 -1.36 -0.10 0.00 1.08 0.00 0.00 64.86 64.13 2gsm h ILE 484 Cb 1.18 1.68 -0.14 0.00 -1.09 0.00 0.00 36.82 38.45 2gsm h ILE 484 CO 0.62 0.39 -0.42 -0.62 -1.08 0.00 0.00 178.15 177.05 2gsm s ASP 485 N -6.91 0.16 -0.01 2.19 2.15 -1.26 -4.77 116.67 108.22 2gsm s ASP 485 Ca -0.03 -0.81 -0.16 0.00 0.43 0.00 0.00 52.55 51.97 2gsm s ASP 485 Cb 0.14 0.35 0.03 0.00 -0.30 0.00 0.00 42.92 43.13 2gsm s ASP 485 CO 0.74 -0.76 0.34 -0.72 -0.17 0.00 0.00 175.17 174.60 2gsm s TYR 486 N -3.92 -0.21 0.34 -5.34 1.13 -1.26 -5.06 117.35 103.03 2gsm s TYR 486 Ca 0.11 0.32 -0.25 0.00 -1.41 0.00 0.00 57.07 55.83 2gsm s TYR 486 Cb 0.05 0.12 -0.14 0.00 -1.10 0.00 0.00 41.96 40.89 2gsm s TYR 486 CO -0.06 -0.41 0.67 -2.30 -2.51 0.00 0.00 175.55 170.93 2gsm n PRO 487 N 1.21 0.68 -0.33 -3.49 -0.02 -1.26 -4.55 135.00 127.25 2gsm n PRO 487 Ca -0.21 0.24 0.21 0.00 -2.02 0.00 0.00 63.50 61.72 2gsm n PRO 487 Cb 0.56 -1.49 0.43 0.00 -0.02 0.00 0.00 33.50 32.97 2gsm n PRO 487 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2gsm h GLU 488 N 1.18 0.30 -0.04 -0.52 4.57 -2.01 -1.88 114.58 116.19 2gsm h GLU 488 Ca -0.37 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 57.80 2gsm h GLU 488 Cb 1.39 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 2gsm h GLU 488 CO 0.55 0.20 0.12 0.00 -1.18 0.00 0.00 179.01 178.70 2gsm h ALA 489 N 1.83 1.31 -0.02 2.92 0.00 -2.05 -1.33 119.26 121.91 2gsm h ALA 489 Ca 0.69 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.60 2gsm h ALA 489 Cb 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2gsm h ALA 489 CO -0.61 -0.14 0.00 1.19 0.00 0.00 0.00 179.25 179.69 2gsm n PHE 490 N -3.28 0.02 -0.07 0.00 3.72 -0.71 -4.47 117.46 112.67 2gsm n PHE 490 Ca -0.02 -0.01 -0.07 0.00 -0.05 0.00 0.00 57.45 57.31 2gsm n PHE 490 Cb 0.19 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.73 2gsm n PHE 490 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2gsm h ALA 491 N 4.17 0.12 0.17 4.37 0.00 -1.42 -2.96 119.26 123.71 2gsm h ALA 491 Ca 0.00 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2gsm h ALA 491 Cb 0.30 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2gsm h ALA 491 CO 0.00 -0.52 -0.26 1.15 0.00 0.00 0.00 179.25 179.63 2gsm h THR 492 N -0.07 0.44 0.00 0.00 2.02 -1.84 -1.26 112.91 112.20 2gsm h THR 492 Ca 0.15 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.26 2gsm h THR 492 Cb 0.30 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2gsm h THR 492 CO -0.34 0.00 -0.31 -0.50 0.37 0.00 0.00 175.52 174.73 2gsm h TRP 493 N -0.49 0.00 -0.24 3.16 4.06 -1.91 -2.49 115.95 118.04 2gsm h TRP 493 Ca 0.02 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.88 2gsm h TRP 493 Cb 0.49 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.64 2gsm h TRP 493 CO -0.21 0.31 -0.21 -0.91 -3.56 0.00 0.00 178.44 173.87 2gsm h ASN 494 N 0.00 0.43 0.15 -3.49 2.35 -1.33 -1.36 115.58 112.33 2gsm h ASN 494 Ca -0.00 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 2gsm h ASN 494 Cb 1.18 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.43 2gsm h ASN 494 CO 0.04 0.65 -0.07 0.15 -1.65 0.00 0.00 177.43 176.55 2gsm h PHE 495 N 0.39 -0.19 -0.45 1.19 3.57 -0.88 -1.94 116.94 118.63 2gsm h PHE 495 Ca 0.07 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.61 2gsm h PHE 495 Cb 0.59 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 2gsm h PHE 495 CO 0.02 0.13 0.20 0.28 -2.23 0.00 0.00 178.31 176.71 2gsm h VAL 496 N -0.53 0.92 -0.67 1.41 2.07 -1.46 -0.95 116.25 117.03 2gsm h VAL 496 Ca -0.02 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.41 2gsm h VAL 496 Cb 0.41 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2gsm h VAL 496 CO 0.03 0.07 0.39 -1.28 0.02 0.00 0.00 177.57 176.81 2gsm h SER 497 N 0.40 0.61 -0.41 0.57 0.87 -1.25 -0.41 113.55 113.92 2gsm h SER 497 Ca 0.20 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2gsm h SER 497 Cb 0.15 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 2gsm h SER 497 CO -0.17 0.41 0.22 0.28 -0.53 0.00 0.00 176.83 177.04 2gsm h SER 498 N 0.75 0.52 -0.30 6.23 0.02 -0.93 -1.36 113.55 118.48 2gsm h SER 498 Ca 0.29 -0.10 0.05 0.00 -0.84 0.00 0.00 61.79 61.18 2gsm h SER 498 Cb 0.11 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 2gsm h SER 498 CO -0.15 0.47 0.04 -0.07 -1.14 0.00 0.00 176.83 175.99 2gsm h LEU 499 N 0.53 -0.02 -0.76 5.07 3.38 -0.58 -1.79 115.31 121.14 2gsm h LEU 499 Ca 0.14 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.28 2gsm h LEU 499 Cb 0.07 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 2gsm h LEU 499 CO -0.02 0.02 0.39 1.23 0.09 0.00 0.00 178.44 180.15 2gsm h GLY 500 N 0.15 1.17 1.82 0.83 0.00 -0.91 -1.72 103.07 104.40 2gsm h GLY 500 Ca 0.14 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 2gsm h GLY 500 CO -0.20 0.04 -0.34 0.00 0.00 0.00 0.00 176.54 176.05 2gsm h ALA 501 N 1.47 1.24 -0.29 3.60 0.00 -0.63 -0.69 119.26 123.95 2gsm h ALA 501 Ca 0.38 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2gsm h ALA 501 Cb 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2gsm h ALA 501 CO -0.29 0.52 -0.44 0.74 0.00 0.00 0.00 179.25 179.78 2gsm h PHE 502 N 0.19 1.00 -0.47 0.00 0.04 -0.62 -0.88 116.94 116.19 2gsm h PHE 502 Ca 0.02 -0.34 -0.05 0.00 2.80 0.00 0.00 57.97 60.40 2gsm h PHE 502 Cb 0.69 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 2gsm h PHE 502 CO 0.01 1.14 0.09 1.25 -0.60 0.00 0.00 178.31 180.20 2gsm h LEU 503 N 0.58 0.74 -1.02 1.54 5.85 -1.16 -1.91 115.31 119.93 2gsm h LEU 503 Ca 0.03 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.55 2gsm h LEU 503 Cb 1.04 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.81 2gsm h LEU 503 CO 0.10 0.80 0.65 0.28 -0.34 0.00 0.00 178.44 179.93 2gsm h SER 504 N 0.64 1.06 -0.40 1.25 0.02 -1.06 -0.82 113.55 114.24 2gsm h SER 504 Ca 0.14 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.03 2gsm h SER 504 Cb 0.37 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2gsm h SER 504 CO 0.01 0.69 -0.02 0.15 -1.14 0.00 0.00 176.83 176.52 2gsm h PHE 505 N 1.21 0.79 -0.66 3.45 3.57 -0.94 -1.98 116.94 122.39 2gsm h PHE 505 Ca 0.42 -0.15 0.10 0.00 3.53 0.00 0.00 57.97 61.87 2gsm h PHE 505 Cb 0.11 -0.20 -0.08 0.00 2.79 0.00 0.00 35.95 38.57 2gsm h PHE 505 CO -0.00 0.81 0.27 0.00 -2.23 0.00 0.00 178.31 177.17 2gsm h ALA 506 N 0.87 0.88 -0.41 2.41 0.00 -0.96 -0.56 119.26 121.50 2gsm h ALA 506 Ca 0.11 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2gsm h ALA 506 Cb 0.51 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2gsm h ALA 506 CO 0.03 -0.16 0.18 0.66 0.00 0.00 0.00 179.25 179.96 2gsm h SER 507 N 0.47 0.52 0.58 0.00 4.64 -0.96 -0.74 113.55 118.05 2gsm h SER 507 Ca 0.34 -0.05 -0.26 0.00 -0.47 0.00 0.00 61.79 61.35 2gsm h SER 507 Cb 0.42 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2gsm h SER 507 CO -0.31 0.46 -1.16 0.15 -0.87 0.00 0.00 176.83 175.09 2gsm h PHE 508 N 0.58 0.49 -0.33 4.77 3.57 -0.55 -1.13 116.94 124.34 2gsm h PHE 508 Ca 0.14 -0.34 -0.05 0.00 3.53 0.00 0.00 57.97 61.26 2gsm h PHE 508 Cb 0.09 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2gsm h PHE 508 CO 0.00 1.23 0.01 -0.07 -2.23 0.00 0.00 178.31 177.26 2gsm h LEU 509 N 0.10 0.56 -0.46 0.59 3.38 -0.99 -1.92 115.31 116.57 2gsm h LEU 509 Ca -0.12 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 57.63 2gsm h LEU 509 Cb 1.87 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 42.41 2gsm h LEU 509 CO 0.19 0.72 0.11 0.15 0.09 0.00 0.00 178.44 179.71 2gsm h PHE 510 N 0.38 0.19 -1.01 1.13 3.57 -1.10 -1.06 116.94 119.04 2gsm h PHE 510 Ca 0.09 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.68 2gsm h PHE 510 Cb 0.43 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 2gsm h PHE 510 CO 0.03 0.03 0.65 0.35 -2.23 0.00 0.00 178.31 177.15 2gsm h PHE 511 N 0.26 1.21 -0.14 0.41 3.57 -1.12 0.13 116.94 121.27 2gsm h PHE 511 Ca 0.23 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.69 2gsm h PHE 511 Cb 0.28 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 2gsm h PHE 511 CO -0.20 0.64 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.22 2gsm h LEU 512 N 1.20 0.23 -0.60 0.59 3.38 -0.44 -0.38 115.31 119.29 2gsm h LEU 512 Ca 0.43 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 58.20 2gsm h LEU 512 Cb 0.13 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2gsm h LEU 512 CO -0.16 0.48 -0.35 1.23 0.09 0.00 0.00 178.44 179.73 2gsm h GLY 513 N 0.93 0.79 0.82 0.83 0.00 -0.01 -1.44 103.07 104.99 2gsm h GLY 513 Ca 0.04 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 2gsm h GLY 513 CO 0.04 0.69 0.02 -2.08 0.00 0.00 0.00 176.54 175.21 2gsm h VAL 514 N 0.61 1.18 -0.54 4.60 2.07 -0.27 -1.61 116.25 122.29 2gsm h VAL 514 Ca 0.06 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 2gsm h VAL 514 Cb 0.87 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 2gsm h VAL 514 CO 0.08 0.15 0.21 0.40 0.02 0.00 0.00 177.57 178.43 2gsm h ILE 515 N -0.07 1.20 -0.20 4.57 2.04 -1.07 -0.00 117.51 123.99 2gsm h ILE 515 Ca 0.03 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 2gsm h ILE 515 Cb 0.22 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2gsm h ILE 515 CO -0.00 0.25 0.04 0.15 0.00 0.00 0.00 178.15 178.58 2gsm h PHE 516 N 0.77 0.35 -0.61 1.37 3.57 -1.12 -1.28 116.94 119.99 2gsm h PHE 516 Ca 0.18 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2gsm h PHE 516 Cb 0.16 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2gsm h PHE 516 CO 0.01 0.47 0.34 -0.92 -2.23 0.00 0.00 178.31 175.98 2gsm h TYR 517 N 0.13 0.84 -0.62 0.41 3.20 -1.11 -2.27 116.97 117.54 2gsm h TYR 517 Ca 0.06 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2gsm h TYR 517 Cb 0.31 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 2gsm h TYR 517 CO 0.02 0.60 0.40 1.15 -1.64 0.00 0.00 178.16 178.68 2gsm h THR 518 N 0.83 1.17 -0.00 1.81 2.02 -0.79 0.29 112.91 118.23 2gsm h THR 518 Ca 0.22 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2gsm h THR 518 Cb 0.03 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2gsm h THR 518 CO -0.04 0.16 -0.19 0.18 0.37 0.00 0.00 175.52 176.01 2gsm n LEU 519 N -4.64 0.23 -0.07 2.58 4.77 -0.50 -2.72 117.00 116.65 2gsm n LEU 519 Ca 0.05 0.26 -0.09 0.00 -0.03 0.00 0.00 56.01 56.19 2gsm n LEU 519 Cb 0.03 -0.37 -0.07 0.00 -2.33 0.00 0.00 43.42 40.68 2gsm n LEU 519 CO 0.36 0.05 -0.97 0.41 -1.33 0.00 0.00 177.39 175.91 2gsm n THR 520 N -1.43 0.85 -1.55 -5.08 -1.04 -0.86 -4.83 114.28 100.33 2gsm n THR 520 Ca 0.08 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 2gsm n THR 520 Cb 0.33 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 2gsm n THR 520 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2gsm n ARG 521 N -2.83 0.00 -2.42 -2.82 1.74 0.86 -5.07 116.66 106.12 2gsm n ARG 521 Ca -0.25 -0.28 -0.41 0.00 -0.77 0.00 0.00 57.85 56.14 2gsm n ARG 521 Cb 0.80 -0.25 -0.04 0.00 -1.02 0.00 0.00 32.46 31.96 2gsm n ARG 521 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2gsm s GLY 522 N -0.05 2.74 -0.19 -0.13 0.00 -0.34 -4.92 107.32 104.42 2gsm s GLY 522 Ca 0.00 0.90 -0.37 0.00 0.00 0.00 0.00 44.72 45.25 2gsm s GLY 522 CO 0.00 1.79 1.12 0.00 0.00 0.00 0.00 173.10 176.01 2gsm n ALA 523 N 2.47 -2.29 -1.74 3.20 0.00 -1.25 -4.38 120.51 116.51 2gsm n ALA 523 Ca 0.04 0.48 -0.35 0.00 0.00 0.00 0.00 53.44 53.60 2gsm n ALA 523 Cb 0.45 -1.57 0.01 0.00 0.00 0.00 0.00 19.45 18.35 2gsm n ALA 523 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2gsm s ARG 524 N 1.15 3.20 -0.02 0.00 0.52 -1.26 -0.62 118.95 121.92 2gsm s ARG 524 Ca 0.83 1.65 -0.11 0.00 -0.52 0.00 0.00 55.73 57.58 2gsm s ARG 524 Cb -1.17 -1.98 -0.05 0.00 0.52 0.00 0.00 34.95 32.26 2gsm s ARG 524 CO 0.58 -0.98 0.33 0.08 0.02 0.00 0.00 175.30 175.33 2gsm s VAL 525 N -1.77 5.18 -0.11 3.52 1.01 0.20 -4.77 120.40 123.66 2gsm s VAL 525 Ca 0.74 0.57 -0.11 0.00 0.00 0.00 0.00 61.98 63.18 2gsm s VAL 525 Cb -0.25 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 2gsm s VAL 525 CO 0.30 0.53 -0.22 0.41 0.00 0.00 0.00 175.10 176.11 2gsm n THR 526 N 1.67 1.25 -1.61 3.92 -1.04 -1.26 -4.93 114.28 112.28 2gsm n THR 526 Ca -0.14 0.06 -0.35 0.00 -2.04 0.00 0.00 64.05 61.58 2gsm n THR 526 Cb 0.53 -1.95 0.07 0.00 -1.82 0.00 0.00 70.33 67.16 2gsm n THR 526 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2gsm s ALA 527 N -2.49 2.26 0.04 2.41 0.00 -1.26 -4.85 121.76 117.88 2gsm s ALA 527 Ca -0.21 0.90 -0.19 0.00 0.00 0.00 0.00 51.96 52.47 2gsm s ALA 527 Cb 0.05 -3.46 -0.17 0.00 0.00 0.00 0.00 23.12 19.54 2gsm s ALA 527 CO 0.29 -1.65 1.25 -0.91 0.00 0.00 0.00 175.76 174.74 2gsm h ASN 528 N 0.05 0.53 -3.50 0.00 4.21 -1.85 -3.41 115.58 111.62 2gsm h ASN 528 Ca -0.48 -0.60 -0.70 0.00 1.21 0.00 0.00 56.30 55.72 2gsm h ASN 528 Cb 1.29 -0.16 -0.33 0.00 -1.12 0.00 0.00 38.32 38.01 2gsm h ASN 528 CO 0.52 1.05 -0.54 0.21 -1.29 0.00 0.00 177.43 177.37 2gsm s ASN 529 N -6.50 5.30 0.00 5.81 3.84 -1.23 -4.69 114.94 117.46 2gsm s ASN 529 Ca -0.13 -1.89 0.20 0.00 0.21 0.00 0.00 52.86 51.25 2gsm s ASN 529 Cb 0.05 -1.85 0.62 0.00 -0.55 0.00 0.00 41.25 39.53 2gsm s ASN 529 CO 0.80 -0.53 1.48 0.00 -2.79 0.00 0.00 177.10 176.06 2gsm n TYR 530 N 4.66 0.32 0.00 0.43 4.11 -1.26 -4.59 117.16 120.82 2gsm n TYR 530 Ca -0.05 -0.16 0.00 0.00 -0.00 0.00 0.00 57.90 57.70 2gsm n TYR 530 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.76 2gsm n TYR 530 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.86 177.77 2gsm n TRP 531 N 0.59 0.00 -3.72 -3.48 5.03 -1.26 -5.10 117.44 109.49 2gsm n TRP 531 Ca 0.16 0.00 -0.02 0.00 3.03 0.00 0.00 57.50 60.67 2gsm n TRP 531 Cb 0.38 0.00 -0.01 0.00 -1.03 0.00 0.00 31.31 30.65 2gsm n TRP 531 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 2gsm s ASN 532 N -0.86 -0.13 0.55 -0.99 2.20 -1.26 -5.07 114.94 109.38 2gsm s ASN 532 Ca 0.00 -0.34 0.36 0.00 -0.94 0.00 0.00 52.86 51.94 2gsm s ASN 532 Cb 0.00 0.39 1.74 0.00 -2.00 0.00 0.00 41.25 41.38 2gsm s ASN 532 CO 0.00 -0.72 2.09 -0.33 -2.94 0.00 0.00 177.10 175.20 2gsm h GLU 533 N 2.00 0.00 -0.00 3.55 3.07 -1.95 -2.19 114.58 119.07 2gsm h GLU 533 Ca -0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 2gsm h GLU 533 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 2gsm h GLU 533 CO 0.27 0.00 -0.10 0.72 -1.40 0.00 0.00 179.01 178.50 2gsm n HIS 534 N -2.94 0.00 -2.63 4.33 8.25 -1.26 -3.93 115.22 117.04 2gsm n HIS 534 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2gsm n HIS 534 Cb 0.18 -0.38 -0.02 0.00 1.12 0.00 0.00 29.99 30.89 2gsm n HIS 534 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gsm s ALA 535 N -2.87 3.05 -0.43 -1.41 0.00 -0.82 -4.32 121.76 114.96 2gsm s ALA 535 Ca 0.18 -2.59 0.05 0.00 0.00 0.00 0.00 51.96 49.59 2gsm s ALA 535 Cb 0.19 -4.50 0.43 0.00 0.00 0.00 0.00 23.12 19.25 2gsm s ALA 535 CO 0.54 -3.40 1.29 -0.40 0.00 0.00 0.00 175.76 173.79 2gsm n ASP 536 N 8.30 5.25 -4.75 0.00 5.68 -1.25 -4.83 116.55 124.95 2gsm n ASP 536 Ca 0.38 -3.75 -0.23 0.00 -0.50 0.00 0.00 54.79 50.69 2gsm n ASP 536 Cb 0.49 -0.50 -0.06 0.00 -1.14 0.00 0.00 41.12 39.91 2gsm n ASP 536 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2gsm s THR 537 N -5.05 2.92 0.51 2.12 -4.23 -1.26 -5.04 115.64 105.60 2gsm s THR 537 Ca 0.51 -1.66 0.34 0.00 -1.18 0.00 0.00 61.69 59.69 2gsm s THR 537 Cb 0.42 -2.99 0.36 0.00 1.34 0.00 0.00 72.50 71.63 2gsm s THR 537 CO -0.10 -0.15 2.20 -0.07 -0.54 0.00 0.00 174.62 175.97 2gsm h LEU 538 N 1.49 0.00 -1.46 4.79 3.38 -1.84 -2.26 115.31 119.41 2gsm h LEU 538 Ca -0.43 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 2gsm h LEU 538 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2gsm h LEU 538 CO 0.64 0.04 -0.19 1.05 0.09 0.00 0.00 178.44 180.06 2gsm h GLU 539 N 0.00 0.00 -0.00 1.13 9.09 -1.96 -1.97 114.58 120.87 2gsm h GLU 539 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2gsm h GLU 539 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 2gsm h GLU 539 CO 0.01 0.19 -0.05 0.91 0.05 0.00 0.00 179.01 180.11 2gsm n TRP 540 N -3.51 0.00 0.24 2.06 7.02 -0.85 -2.83 117.44 119.57 2gsm n TRP 540 Ca -0.01 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.59 2gsm n TRP 540 Cb 0.35 -0.11 0.01 0.00 -2.42 0.00 0.00 31.31 29.14 2gsm n TRP 540 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 2gsm n THR 541 N -0.81 0.46 -2.93 -0.99 -1.04 -0.74 -3.53 114.28 104.70 2gsm n THR 541 Ca 0.18 -0.46 -0.20 0.00 -2.04 0.00 0.00 64.05 61.53 2gsm n THR 541 Cb 0.24 -0.19 0.06 0.00 -1.82 0.00 0.00 70.33 68.62 2gsm n THR 541 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2gsm s LEU 542 N -4.89 3.21 1.09 -4.42 1.43 -1.13 -5.03 118.68 108.94 2gsm s LEU 542 Ca 0.00 -0.63 -0.18 0.00 -1.03 0.00 0.00 54.13 52.30 2gsm s LEU 542 Cb 0.11 -1.98 0.25 0.00 0.03 0.00 0.00 46.19 44.60 2gsm s LEU 542 CO 0.79 -1.30 1.21 0.28 0.23 0.00 0.00 176.35 177.56 2gsm s THR 543 N -2.69 1.78 -0.36 5.49 -1.32 -1.26 -4.52 115.64 112.77 2gsm s THR 543 Ca 0.61 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 61.10 2gsm s THR 543 Cb -0.07 -2.73 0.11 0.00 -1.51 0.00 0.00 72.50 68.31 2gsm s THR 543 CO 0.39 0.00 0.14 -0.44 -2.21 0.00 0.00 174.62 172.49 2gsm s SER 544 N -4.36 4.04 0.55 8.08 0.01 -1.26 -2.06 113.70 118.70 2gsm s SER 544 Ca 0.72 -2.05 -0.07 0.00 1.31 0.00 0.00 55.95 55.87 2gsm s SER 544 Cb -0.07 -1.06 -0.02 0.00 0.21 0.00 0.00 66.02 65.08 2gsm s SER 544 CO 0.55 -0.36 0.87 -2.16 0.41 0.00 0.00 173.24 172.55 2gsm s PRO 545 N 1.08 3.34 0.82 12.44 0.04 -1.25 -4.11 135.00 147.36 2gsm s PRO 545 Ca 0.12 0.24 -0.13 0.00 0.04 0.00 0.00 61.00 61.27 2gsm s PRO 545 Cb -0.20 -2.28 0.08 0.00 0.04 0.00 0.00 34.50 32.14 2gsm s PRO 545 CO -0.14 -0.45 1.15 -2.30 0.04 0.00 0.00 177.00 175.30 2gsm n PRO 546 N -2.47 0.14 -1.18 0.56 -0.02 -0.87 -4.98 135.00 126.18 2gsm n PRO 546 Ca 0.03 0.12 -0.31 0.00 -2.02 0.00 0.00 63.50 61.32 2gsm n PRO 546 Cb 0.56 -2.40 0.10 0.00 -0.02 0.00 0.00 33.50 31.75 2gsm n PRO 546 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2gsm s PRO 547 N -4.07 2.01 0.28 0.52 0.04 -1.26 -4.92 135.00 127.60 2gsm s PRO 547 Ca 0.72 1.31 -0.07 0.00 0.04 0.00 0.00 61.00 63.00 2gsm s PRO 547 Cb -0.29 -1.86 0.49 0.00 0.04 0.00 0.00 34.50 32.88 2gsm s PRO 547 CO 0.52 -1.85 1.57 0.93 0.04 0.00 0.00 177.00 178.22 2gsm h GLU 548 N -1.15 0.01 -5.77 4.56 5.08 -2.05 -3.37 114.58 111.88 2gsm h GLU 548 Ca -0.44 -0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.25 2gsm h GLU 548 Cb 1.24 -0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.26 2gsm h GLU 548 CO 0.49 0.00 -0.74 -1.01 -1.00 0.00 0.00 179.01 176.76 2gsm s HIS 549 N -6.20 2.84 -0.12 4.33 3.76 -1.26 -5.05 115.29 113.58 2gsm s HIS 549 Ca -0.14 -0.32 0.01 0.00 -0.15 0.00 0.00 55.06 54.46 2gsm s HIS 549 Cb 0.26 -1.77 0.01 0.00 1.11 0.00 0.00 32.58 32.19 2gsm s HIS 549 CO 0.77 0.04 0.53 0.25 -0.85 0.00 0.00 174.74 175.48