#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2grm s PHE 2 N 0.00 2.80 -0.85 1.12 0.08 -1.26 -5.02 117.98 114.85 2grm s PHE 2 Ca 0.00 -1.32 -0.08 0.00 0.12 0.00 0.00 56.93 55.66 2grm s PHE 2 Cb 0.00 -1.93 -0.06 0.00 -0.57 0.00 0.00 43.02 40.45 2grm s PHE 2 CO 0.00 -0.65 2.03 1.63 -0.10 0.00 0.00 175.22 178.13 2grm n LYS 3 N 4.43 1.90 -0.10 0.44 4.01 -1.25 -4.54 118.16 123.05 2grm n LYS 3 Ca -0.20 -1.47 -0.11 0.00 -0.51 0.00 0.00 58.31 56.03 2grm n LYS 3 Cb 0.51 -2.49 -0.03 0.00 -0.51 0.00 0.00 35.03 32.50 2grm n LYS 3 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 2grm h ILE 4 N 3.61 1.26 -0.61 -0.18 2.04 -1.94 -2.87 117.51 118.82 2grm h ILE 4 Ca 0.46 -0.97 0.08 0.00 1.00 0.00 0.00 64.86 65.43 2grm h ILE 4 Cb 0.22 1.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 2grm h ILE 4 CO 1.50 0.31 0.28 1.23 0.00 0.00 0.00 178.15 181.47 2grm h GLY 5 N 0.34 0.88 0.07 5.37 0.00 -1.80 -0.74 103.07 107.19 2grm h GLY 5 Ca 0.09 -0.17 0.13 0.00 0.00 0.00 0.00 47.33 47.37 2grm h GLY 5 CO 0.02 0.05 0.12 0.23 0.00 0.00 0.00 176.54 176.96 2grm h SER 6 N 0.51 -0.05 -0.23 0.19 0.87 -1.66 -1.60 113.55 111.58 2grm h SER 6 Ca 0.29 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.96 2grm h SER 6 Cb 0.29 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2grm h SER 6 CO -0.24 -0.03 0.05 0.58 -0.53 0.00 0.00 176.83 176.66 2grm h VAL 7 N 0.23 1.21 -0.45 2.23 2.07 -1.01 -1.49 116.25 119.05 2grm h VAL 7 Ca 0.34 -0.69 0.09 0.00 0.82 0.00 0.00 66.70 67.26 2grm h VAL 7 Cb 0.54 1.24 -0.08 0.00 -1.52 0.00 0.00 31.29 31.46 2grm h VAL 7 CO -0.45 0.22 -0.07 -0.07 0.02 0.00 0.00 177.57 177.22 2grm h LEU 8 N 0.19 -0.33 0.21 2.57 -0.00 -0.37 0.10 115.31 117.69 2grm h LEU 8 Ca 0.07 0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 58.07 2grm h LEU 8 Cb 0.28 0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 41.19 2grm h LEU 8 CO 0.00 -0.11 -0.12 0.50 -0.00 0.00 0.00 178.44 178.71 2grm h LYS 9 N 0.04 -0.30 -0.37 1.13 3.64 -1.21 0.33 116.57 119.83 2grm h LYS 9 Ca 0.22 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.70 2grm h LYS 9 Cb 0.34 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.14 2grm h LYS 9 CO -0.43 -0.20 -0.18 0.37 -2.27 0.00 0.00 179.45 176.75 2grm h GLN 10 N -0.31 -0.11 -0.36 1.90 -0.00 -0.53 0.34 115.11 116.05 2grm h GLN 10 Ca -0.02 0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.59 2grm h GLN 10 Cb 0.25 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.74 2grm h GLN 10 CO 0.03 -0.07 0.05 0.82 0.00 0.00 0.00 178.83 179.66 2grm h ILE 11 N -0.11 1.24 -0.02 2.39 2.04 -0.64 -1.37 117.51 121.04 2grm h ILE 11 Ca 0.18 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.20 2grm h ILE 11 Cb 0.39 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2grm h ILE 11 CO -0.44 0.29 -0.09 -0.09 0.00 0.00 0.00 178.15 177.82 2grm h ARG 12 N 0.43 -0.14 -0.31 2.37 2.43 0.46 -0.47 114.38 119.16 2grm h ARG 12 Ca 0.11 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 2grm h ARG 12 Cb 0.37 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2grm h ARG 12 CO 0.01 -0.09 -0.23 1.96 -1.51 0.00 0.00 179.97 180.11 2grm h GLN 13 N -0.14 0.59 -0.42 0.20 4.20 -0.32 0.08 115.11 119.30 2grm h GLN 13 Ca 0.04 -0.22 -0.13 0.00 0.06 0.00 0.00 58.65 58.40 2grm h GLN 13 Cb 0.20 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2grm h GLN 13 CO -0.11 0.78 -0.26 1.49 -0.67 0.00 0.00 178.83 180.06 2grm h GLU 14 N 0.52 0.88 0.00 1.46 4.22 -1.06 -2.22 114.58 118.38 2grm h GLU 14 Ca 0.08 -0.39 0.00 0.00 0.08 0.00 0.00 59.36 59.12 2grm h GLU 14 Cb 0.68 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2grm h GLU 14 CO 0.05 1.04 0.00 1.28 -2.18 0.00 0.00 179.01 179.20 2grm n LEU 15 N -4.09 0.00 -0.90 1.64 4.32 -0.20 -4.90 117.00 112.86 2grm n LEU 15 Ca -0.00 0.19 -0.12 0.00 -0.02 0.00 0.00 56.01 56.06 2grm n LEU 15 Cb 0.47 -0.19 -0.05 0.00 -1.62 0.00 0.00 43.42 42.03 2grm n LEU 15 CO 0.46 -0.01 -0.11 0.59 -1.22 0.00 0.00 177.39 177.10 2grm n ASN 16 N -1.19 -4.43 -4.84 -1.43 3.02 -0.58 -5.02 115.26 100.80 2grm n ASN 16 Ca 0.16 0.29 -0.32 0.00 -0.03 0.00 0.00 54.58 54.68 2grm n ASN 16 Cb 0.18 -2.96 -0.05 0.00 -0.61 0.00 0.00 39.78 36.35 2grm n ASN 16 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2grm s TYR 17 N -2.43 3.40 0.05 3.10 1.51 -0.09 -4.99 117.35 117.90 2grm s TYR 17 Ca 0.00 1.39 0.00 0.00 -1.01 0.00 0.00 57.07 57.45 2grm s TYR 17 Cb 0.00 -2.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.10 2grm s TYR 17 CO 0.00 -0.18 0.18 -1.01 -1.11 0.00 0.00 175.55 173.43 2grm s HIS 18 N -2.36 3.46 0.33 2.71 3.76 -1.26 -4.44 115.29 117.49 2grm s HIS 18 Ca 0.58 0.24 0.11 0.00 -0.15 0.00 0.00 55.06 55.83 2grm s HIS 18 Cb -0.10 -1.75 1.02 0.00 1.11 0.00 0.00 32.58 32.86 2grm s HIS 18 CO 0.24 0.59 1.61 1.96 -0.85 0.00 0.00 174.74 178.29 2grm h GLN 19 N 3.28 0.11 -0.76 1.40 4.20 -1.97 0.76 115.11 122.12 2grm h GLN 19 Ca -0.46 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.38 2grm h GLN 19 Cb 1.17 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.87 2grm h GLN 19 CO 0.73 0.07 0.51 0.97 -0.67 0.00 0.00 178.83 180.44 2grm h ILE 20 N 0.12 0.83 0.00 2.54 6.09 -1.99 0.10 117.51 125.20 2grm h ILE 20 Ca 0.70 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 64.02 2grm h ILE 20 Cb 1.64 0.29 0.00 0.00 0.47 0.00 0.00 36.82 39.22 2grm h ILE 20 CO -0.75 0.09 0.00 0.44 -3.07 0.00 0.00 178.15 174.86 2grm h ASP 21 N 0.50 0.00 0.00 2.19 3.32 0.16 -2.70 116.42 119.89 2grm h ASP 21 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 2grm h ASP 21 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2grm h ASP 21 CO -0.13 0.00 -0.67 0.18 -1.72 0.00 0.00 179.24 176.90 2grm n LEU 22 N -2.59 1.39 0.22 1.55 7.99 0.31 -4.73 117.00 121.15 2grm n LEU 22 Ca -0.00 0.23 0.10 0.00 -0.01 0.00 0.00 56.01 56.33 2grm n LEU 22 Cb 0.16 -0.64 0.47 0.00 -0.11 0.00 0.00 43.42 43.30 2grm n LEU 22 CO 0.18 -0.36 0.80 0.10 -1.51 0.00 0.00 177.39 176.60 2grm h TYR 23 N -0.67 0.00 -1.99 -1.77 -0.00 -1.58 -3.41 116.97 107.55 2grm h TYR 23 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 58.73 58.14 2grm h TYR 23 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.41 2grm h TYR 23 CO -0.29 0.23 1.40 -1.13 -0.00 0.00 0.00 178.16 178.37 2grm n SER 24 N -3.43 3.39 0.00 0.10 3.41 -1.02 -0.16 113.62 115.92 2grm n SER 24 Ca -0.00 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 2grm n SER 24 Cb 0.42 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 2grm n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2grm n GLY 25 N 5.45 3.20 0.09 5.00 0.00 -1.26 -4.85 105.19 112.82 2grm n GLY 25 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 2grm n GLY 25 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2grm n ILE 26 N -0.98 1.50 -4.02 -0.61 2.08 0.23 -5.10 119.36 112.45 2grm n ILE 26 Ca 0.00 0.09 -0.12 0.00 0.56 0.00 0.00 62.75 63.28 2grm n ILE 26 Cb 0.00 -2.30 -0.03 0.00 -0.75 0.00 0.00 39.64 36.55 2grm n ILE 26 CO 0.00 0.00 0.00 1.15 0.56 0.00 0.00 176.55 178.26 2grm n MET 27 N -4.45 0.45 -2.94 0.38 0.00 0.78 -5.09 117.12 106.25 2grm n MET 27 Ca -0.18 -2.20 -0.38 0.00 0.00 0.00 0.00 57.70 54.95 2grm n MET 27 Cb 0.54 2.00 -0.06 0.00 0.00 0.00 0.00 33.22 35.70 2grm n MET 27 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2grm s SER 28 N -2.64 7.34 0.52 3.17 1.04 -1.26 -4.27 113.70 117.59 2grm s SER 28 Ca 0.24 1.67 0.27 0.00 0.48 0.00 0.00 55.95 58.61 2grm s SER 28 Cb 0.00 -2.51 1.39 0.00 0.10 0.00 0.00 66.02 65.00 2grm s SER 28 CO 0.17 0.10 1.93 0.50 0.98 0.00 0.00 173.24 176.93 2grm h LYS 29 N 3.85 0.06 -0.04 4.02 3.64 -1.98 0.19 116.57 126.30 2grm h LYS 29 Ca -0.47 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.84 2grm h LYS 29 Cb 1.20 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2grm h LYS 29 CO 0.66 0.04 -0.22 0.66 -2.27 0.00 0.00 179.45 178.32 2grm h SER 30 N 0.06 0.27 0.13 4.20 4.64 -1.99 -2.61 113.55 118.25 2grm h SER 30 Ca 0.35 -0.67 -0.10 0.00 -0.47 0.00 0.00 61.79 60.90 2grm h SER 30 Cb 1.32 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 2grm h SER 30 CO -0.03 0.89 -0.36 1.62 -0.87 0.00 0.00 176.83 178.09 2grm h VAL 31 N -0.34 1.29 -0.41 0.95 3.04 -1.62 -2.65 116.25 116.52 2grm h VAL 31 Ca -0.02 -1.42 -0.05 0.00 -1.01 0.00 0.00 66.70 64.21 2grm h VAL 31 Cb 0.89 1.57 -0.02 0.00 -2.01 0.00 0.00 31.29 31.72 2grm h VAL 31 CO 0.05 0.43 0.08 0.22 -1.01 0.00 0.00 177.57 177.33 2grm h TYR 32 N 0.27 0.71 0.00 3.17 5.03 -0.72 -0.30 116.97 125.13 2grm h TYR 32 Ca 0.03 -0.10 -0.01 0.00 2.58 0.00 0.00 58.73 61.24 2grm h TYR 32 Cb 0.76 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 38.84 2grm h TYR 32 CO 0.02 0.69 -0.05 0.82 -1.32 0.00 0.00 178.16 178.32 2grm h ILE 33 N 0.53 0.53 -0.01 1.81 2.04 -1.29 0.24 117.51 121.35 2grm h ILE 33 Ca 0.13 -0.21 -0.21 0.00 1.00 0.00 0.00 64.86 65.57 2grm h ILE 33 Cb 0.36 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2grm h ILE 33 CO 0.01 0.05 -0.88 0.11 0.00 0.00 0.00 178.15 177.43 2grm h LYS 34 N 0.00 0.34 0.36 2.37 1.57 -0.88 -2.72 116.57 117.61 2grm h LYS 34 Ca -0.00 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 2grm h LYS 34 Cb 0.13 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2grm h LYS 34 CO 0.01 1.03 -0.17 0.28 -0.57 0.00 0.00 179.45 180.03 2grm h VAL 35 N 0.20 0.26 0.00 0.50 2.07 0.75 -1.66 116.25 118.37 2grm h VAL 35 Ca -0.06 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2grm h VAL 35 Cb 1.50 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2grm h VAL 35 CO 0.15 0.06 0.01 1.21 0.02 0.00 0.00 177.57 179.02 2grm n GLU 36 N -5.10 0.00 0.00 1.57 2.13 0.61 -0.44 120.64 119.41 2grm n GLU 36 Ca -0.07 0.25 0.09 0.00 0.66 0.00 0.00 57.16 58.08 2grm n GLU 36 Cb 0.24 -1.51 0.03 0.00 0.27 0.00 0.00 31.44 30.47 2grm n GLU 36 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2grm n ALA 37 N -1.23 2.88 -3.24 4.31 0.00 -1.03 -4.06 120.51 118.15 2grm n ALA 37 Ca 0.00 -0.59 -0.18 0.00 0.00 0.00 0.00 53.44 52.66 2grm n ALA 37 Cb 0.01 -0.60 0.05 0.00 0.00 0.00 0.00 19.45 18.92 2grm n ALA 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2grm n ASP 38 N 0.40 -5.38 -0.02 0.00 8.00 0.41 -4.89 116.55 115.06 2grm n ASP 38 Ca 0.09 -0.37 -0.03 0.00 0.71 0.00 0.00 54.79 55.19 2grm n ASP 38 Cb 0.40 -4.04 -0.04 0.00 -0.02 0.00 0.00 41.12 37.42 2grm n ASP 38 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2grm n SER 39 N -1.93 3.78 -4.43 -2.24 3.41 -0.90 -5.00 113.62 106.32 2grm n SER 39 Ca -0.02 -0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.26 2grm n SER 39 Cb 0.56 0.54 -0.14 0.00 -0.26 0.00 0.00 64.21 64.91 2grm n SER 39 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2grm s ARG 40 N -2.12 3.03 0.75 4.33 3.52 -0.67 -5.01 118.95 122.78 2grm s ARG 40 Ca -0.03 -0.67 -0.15 0.00 -0.13 0.00 0.00 55.73 54.75 2grm s ARG 40 Cb 0.02 -2.55 0.05 0.00 -1.56 0.00 0.00 34.95 30.91 2grm s ARG 40 CO 0.19 0.39 1.23 -2.14 -0.81 0.00 0.00 175.30 174.17 2grm s PRO 41 N -0.12 1.99 -0.07 5.12 0.02 -1.26 -4.44 135.00 136.24 2grm s PRO 41 Ca -0.01 1.84 0.03 0.00 0.02 0.00 0.00 61.00 62.88 2grm s PRO 41 Cb -0.14 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.58 2grm s PRO 41 CO 0.03 -1.97 -0.16 -1.50 -0.33 0.00 0.00 177.00 173.07 2grm s ILE 42 N -1.91 1.44 0.55 2.83 2.07 -1.26 -4.94 121.20 119.98 2grm s ILE 42 Ca 0.76 -0.67 -0.15 0.00 -1.41 0.00 0.00 60.65 59.18 2grm s ILE 42 Cb -0.31 -1.27 -0.06 0.00 0.13 0.00 0.00 42.46 40.94 2grm s ILE 42 CO 0.46 0.42 1.01 -0.94 -1.91 0.00 0.00 174.94 173.98 2grm s SER 43 N 0.44 6.40 0.44 4.50 1.04 -1.26 -4.89 113.70 120.37 2grm s SER 43 Ca -0.13 1.58 0.10 0.00 0.48 0.00 0.00 55.95 57.97 2grm s SER 43 Cb -0.15 -2.50 0.96 0.00 0.10 0.00 0.00 66.02 64.42 2grm s SER 43 CO 0.05 -0.74 2.06 -0.37 0.98 0.00 0.00 173.24 175.21 2grm h VAL 44 N 0.58 1.09 0.16 5.02 -1.51 -2.00 -0.55 116.25 119.03 2grm h VAL 44 Ca -0.46 -0.24 -0.01 0.00 -1.23 0.00 0.00 66.70 64.76 2grm h VAL 44 Cb 1.19 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 2grm h VAL 44 CO 0.61 0.10 -0.08 -0.08 -1.23 0.00 0.00 177.57 176.89 2grm h GLU 45 N 0.34 -0.21 0.16 5.19 4.57 -1.99 0.30 114.58 122.95 2grm h GLU 45 Ca 0.09 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.30 2grm h GLU 45 Cb 0.03 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 2grm h GLU 45 CO -0.01 -0.03 -0.27 0.93 -1.18 0.00 0.00 179.01 178.44 2grm h GLU 46 N -0.35 -0.49 -0.82 1.92 5.08 -1.75 -1.59 114.58 116.59 2grm h GLU 46 Ca -0.02 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.49 2grm h GLU 46 Cb 0.27 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 2grm h GLU 46 CO 0.04 -0.33 0.53 1.25 -1.00 0.00 0.00 179.01 179.50 2grm h LEU 47 N -0.51 0.62 -0.81 1.33 5.85 -1.02 -0.71 115.31 120.06 2grm h LEU 47 Ca 0.02 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2grm h LEU 47 Cb 0.52 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 2grm h LEU 47 CO -0.13 0.34 0.53 -1.28 -0.34 0.00 0.00 178.44 177.56 2grm h SER 48 N 0.67 0.89 -0.17 1.25 0.87 0.55 0.10 113.55 117.72 2grm h SER 48 Ca 0.39 -0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.76 2grm h SER 48 Cb 0.60 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2grm h SER 48 CO -0.16 0.63 -0.60 0.11 -0.53 0.00 0.00 176.83 176.28 2grm h LYS 49 N 1.05 0.70 -0.49 2.24 1.57 -0.49 -2.46 116.57 118.69 2grm h LYS 49 Ca 0.31 -0.53 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 2grm h LYS 49 Cb -0.06 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2grm h LYS 49 CO -0.09 1.15 0.11 0.74 -0.57 0.00 0.00 179.45 180.79 2grm h PHE 50 N 0.40 0.77 -0.56 -1.35 0.04 -1.00 -0.78 116.94 114.46 2grm h PHE 50 Ca -0.03 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.67 2grm h PHE 50 Cb 1.23 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 39.13 2grm h PHE 50 CO 0.09 0.66 0.36 1.03 -0.60 0.00 0.00 178.31 179.85 2grm h SER 51 N 0.72 0.67 -0.13 2.17 0.87 -0.73 0.20 113.55 117.31 2grm h SER 51 Ca 0.16 -0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.58 2grm h SER 51 Cb 0.29 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2grm h SER 51 CO -0.00 0.51 -0.23 -0.08 -0.53 0.00 0.00 176.83 176.50 2grm h GLU 52 N 0.76 0.56 -0.28 2.24 4.81 -0.88 -1.67 114.58 120.13 2grm h GLU 52 Ca 0.20 -0.21 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 2grm h GLU 52 Cb -0.05 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2grm h GLU 52 CO -0.04 0.75 -0.49 0.00 -0.73 0.00 0.00 179.01 178.50 2grm h ARG 53 N 0.50 0.82 -0.15 1.92 3.08 -0.72 -3.19 114.38 116.64 2grm h ARG 53 Ca 0.07 -0.51 -0.11 0.00 0.07 0.00 0.00 59.98 59.50 2grm h ARG 53 Cb 0.67 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2grm h ARG 53 CO 0.05 1.14 -0.39 -0.07 -1.07 0.00 0.00 179.97 179.63 2grm h LEU 54 N 0.58 0.33 0.00 3.04 3.38 -0.84 -3.47 115.31 118.33 2grm h LEU 54 Ca 0.02 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2grm h LEU 54 Cb 1.09 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2grm h LEU 54 CO 0.11 0.70 0.00 0.61 0.09 0.00 0.00 178.44 179.95 2grm n GLY 55 N -0.19 0.65 3.58 0.83 0.00 -0.64 -5.06 105.19 104.36 2grm n GLY 55 Ca -0.01 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 2grm n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2grm s VAL 56 N -2.00 3.60 0.20 1.61 1.01 -1.19 -5.06 120.40 118.57 2grm s VAL 56 Ca 0.00 -0.64 -0.32 0.00 0.00 0.00 0.00 61.98 61.01 2grm s VAL 56 Cb 0.00 -2.51 -0.15 0.00 0.00 0.00 0.00 36.38 33.73 2grm s VAL 56 CO 0.00 0.50 1.28 -3.20 0.00 0.00 0.00 175.10 173.68 2grm n ASN 57 N 1.93 1.98 0.17 3.32 2.85 -1.26 -4.64 115.26 119.60 2grm n ASN 57 Ca -0.17 1.14 -0.15 0.00 -0.11 0.00 0.00 54.58 55.29 2grm n ASN 57 Cb 0.53 -1.31 -0.07 0.00 1.24 0.00 0.00 39.78 40.16 2grm n ASN 57 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 2grm h PHE 58 N 3.81 -1.07 -0.09 1.20 3.57 -1.95 -1.20 116.94 121.21 2grm h PHE 58 Ca -0.44 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.05 2grm h PHE 58 Cb 1.31 0.44 -0.01 0.00 2.79 0.00 0.00 35.95 40.48 2grm h PHE 58 CO 0.55 -0.51 -0.05 0.74 -2.23 0.00 0.00 178.31 176.81 2grm h PHE 59 N -0.69 0.13 -0.46 0.41 0.04 -1.99 -1.90 116.94 112.48 2grm h PHE 59 Ca 0.00 -0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 2grm h PHE 59 Cb 0.68 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 2grm h PHE 59 CO -0.29 0.19 -0.12 1.49 -0.60 0.00 0.00 178.31 178.98 2grm h GLU 60 N 0.13 0.90 -0.01 1.51 4.81 -1.79 -0.21 114.58 119.91 2grm h GLU 60 Ca 0.03 -0.35 0.01 0.00 -0.13 0.00 0.00 59.36 58.93 2grm h GLU 60 Cb 0.19 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 2grm h GLU 60 CO 0.01 1.00 -0.07 0.82 -0.73 0.00 0.00 179.01 180.04 2grm h ILE 61 N 0.74 0.83 -0.31 2.32 2.04 -0.49 0.29 117.51 122.92 2grm h ILE 61 Ca 0.12 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.03 2grm h ILE 61 Cb 0.67 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 2grm h ILE 61 CO 0.05 0.00 -0.02 -0.07 0.00 0.00 0.00 178.15 178.10 2grm h LEU 62 N -0.11 -0.18 -0.08 1.44 3.38 -1.16 0.26 115.31 118.86 2grm h LEU 62 Ca 0.03 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.11 2grm h LEU 62 Cb 0.15 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2grm h LEU 62 CO -0.08 -0.05 -0.08 0.78 0.09 0.00 0.00 178.44 179.09 2grm h ASN 63 N 0.06 -0.26 -0.19 -0.43 4.21 -0.49 -0.51 115.58 117.98 2grm h ASN 63 Ca 0.15 0.05 0.05 0.00 1.21 0.00 0.00 56.30 57.77 2grm h ASN 63 Cb 0.21 0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.53 2grm h ASN 63 CO -0.28 -0.12 0.15 0.03 -1.29 0.00 0.00 177.43 175.93 2grm h ARG 64 N -0.11 0.00 0.00 0.81 3.08 0.16 0.92 114.38 119.24 2grm h ARG 64 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2grm h ARG 64 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2grm h ARG 64 CO -0.15 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.75 2grm n ALA 65 N -2.49 1.75 0.00 0.04 0.00 0.02 -4.84 120.51 114.99 2grm n ALA 65 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2grm n ALA 65 Cb 0.28 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2grm n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2grm n GLY 66 N 0.19 1.19 0.89 0.00 0.00 0.30 -3.78 105.19 103.98 2grm n GLY 66 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 2grm n GLY 66 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2grm n MET 67 N 0.00 2.30 -0.64 1.61 2.81 -1.04 -3.96 117.12 118.21 2grm n MET 67 Ca 0.00 -1.30 -0.04 0.00 -1.81 0.00 0.00 57.70 54.54 2grm n MET 67 Cb 0.00 -1.58 0.18 0.00 -0.71 0.00 0.00 33.22 31.11 2grm n MET 67 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2grm n ASN 68 N 0.36 3.69 -3.62 7.83 6.94 -1.10 -4.68 115.26 124.69 2grm n ASN 68 Ca 0.12 -2.75 -0.04 0.00 -0.02 0.00 0.00 54.58 51.88 2grm n ASN 68 Cb 0.50 -0.66 -0.06 0.00 -2.36 0.00 0.00 39.78 37.20 2grm n ASN 68 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2grm s THR 69 N -2.03 -0.85 -0.69 5.53 -1.32 -1.25 -5.04 115.64 109.99 2grm s THR 69 Ca 0.34 0.07 -0.06 0.00 -1.21 0.00 0.00 61.69 60.82 2grm s THR 69 Cb 0.27 -0.86 -0.13 0.00 -1.51 0.00 0.00 72.50 70.27 2grm s THR 69 CO 0.08 0.02 2.64 0.29 -2.21 0.00 0.00 174.62 175.45 2grm n LYS 70 N 5.42 2.23 -0.21 7.08 4.76 -1.26 -2.88 118.16 133.29 2grm n LYS 70 Ca -0.10 -1.33 0.01 0.00 -2.87 0.00 0.00 58.31 54.02 2grm n LYS 70 Cb 0.49 -2.28 0.01 0.00 -1.84 0.00 0.00 35.03 31.41 2grm n LYS 70 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2grm n SER 71 N 3.37 0.41 0.08 4.39 2.88 -1.26 -4.07 113.62 119.42 2grm n SER 71 Ca 0.48 -1.71 -0.10 0.00 -1.33 0.00 0.00 58.87 56.20 2grm n SER 71 Cb 0.40 -0.12 -0.03 0.00 -0.75 0.00 0.00 64.21 63.71 2grm n SER 71 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2grm h VAL 72 N 4.09 1.47 -2.57 2.46 -1.51 -1.86 -3.45 116.25 114.88 2grm h VAL 72 Ca 0.00 -2.59 -0.51 0.00 -1.23 0.00 0.00 66.70 62.37 2grm h VAL 72 Cb 1.12 2.48 -0.14 0.00 -2.13 0.00 0.00 31.29 32.62 2grm h VAL 72 CO 0.00 0.76 -0.59 0.54 -1.23 0.00 0.00 177.57 177.05 2grm s ASN 73 N -6.98 2.68 0.00 4.19 2.20 -1.26 -5.06 114.94 110.71 2grm s ASN 73 Ca -0.04 -1.42 0.00 0.00 -0.94 0.00 0.00 52.86 50.46 2grm s ASN 73 Cb 0.10 -0.03 0.00 0.00 -2.00 0.00 0.00 41.25 39.31 2grm s ASN 73 CO 0.84 -0.63 0.91 1.21 -2.94 0.00 0.00 177.10 176.49 2grm n GLU 74 N -0.77 0.00 -0.45 3.55 4.07 -1.26 -1.45 120.64 124.33 2grm n GLU 74 Ca -0.04 0.88 0.37 0.00 -0.06 0.00 0.00 57.16 58.31 2grm n GLU 74 Cb 0.66 -1.41 0.66 0.00 -0.06 0.00 0.00 31.44 31.29 2grm n GLU 74 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 2grm h THR 75 N 0.00 0.17 0.17 6.31 1.35 -1.98 0.82 112.91 119.75 2grm h THR 75 Ca 0.00 -0.04 0.01 0.00 -0.55 0.00 0.00 66.41 65.83 2grm h THR 75 Cb 0.00 0.05 -0.02 0.00 -1.73 0.00 0.00 68.15 66.46 2grm h THR 75 CO 0.00 0.02 -0.18 1.23 -0.25 0.00 0.00 175.52 176.34 2grm h GLY 76 N 0.11 -0.37 0.79 5.82 0.00 -1.42 -2.13 103.07 105.85 2grm h GLY 76 Ca 0.79 0.20 0.05 0.00 0.00 0.00 0.00 47.33 48.37 2grm h GLY 76 CO -0.35 -0.17 0.50 0.50 0.00 0.00 0.00 176.54 177.02 2grm h LYS 77 N -0.38 0.92 -0.92 4.80 1.57 -0.75 -2.66 116.57 119.15 2grm h LYS 77 Ca 0.00 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2grm h LYS 77 Cb 0.37 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 2grm h LYS 77 CO -0.05 0.61 0.61 0.93 -0.57 0.00 0.00 179.45 180.98 2grm h GLU 78 N 0.95 1.18 -0.11 3.15 4.39 -1.22 -1.69 114.58 121.23 2grm h GLU 78 Ca 0.34 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.81 2grm h GLU 78 Cb 0.10 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 2grm h GLU 78 CO -0.14 0.78 -0.60 0.87 -1.16 0.00 0.00 179.01 178.75 2grm h LYS 79 N 1.22 0.39 -0.01 2.33 1.57 -1.06 -2.81 116.57 118.19 2grm h LYS 79 Ca 0.34 -0.26 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 2grm h LYS 79 Cb -0.10 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2grm h LYS 79 CO -0.08 0.87 -0.46 -0.07 -0.57 0.00 0.00 179.45 179.14 2grm h LEU 80 N 0.29 0.03 -1.09 2.94 3.38 -1.17 -2.78 115.31 116.91 2grm h LEU 80 Ca -0.01 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2grm h LEU 80 Cb 1.13 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2grm h LEU 80 CO 0.10 0.49 -0.44 0.25 0.09 0.00 0.00 178.44 178.94 2grm h LEU 81 N 0.03 0.00 -0.65 1.67 5.85 -1.08 -3.13 115.31 117.99 2grm h LEU 81 Ca -0.00 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.83 2grm h LEU 81 Cb 0.83 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.78 2grm h LEU 81 CO 0.06 0.44 0.21 0.40 -0.34 0.00 0.00 178.44 179.21 2grm h ILE 82 N 0.00 0.68 -0.70 4.05 1.08 -1.25 0.16 117.51 121.54 2grm h ILE 82 Ca -0.00 -0.13 0.01 0.00 -0.39 0.00 0.00 64.86 64.35 2grm h ILE 82 Cb 0.81 0.29 -0.04 0.00 -3.07 0.00 0.00 36.82 34.81 2grm h ILE 82 CO 0.06 0.07 0.46 0.28 -0.69 0.00 0.00 178.15 178.33 2grm h SER 83 N 0.37 0.79 0.21 1.72 0.02 -1.69 -0.48 113.55 114.49 2grm h SER 83 Ca 0.34 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 2grm h SER 83 Cb 0.49 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2grm h SER 83 CO -0.37 0.57 -0.10 0.50 -1.14 0.00 0.00 176.83 176.29 2grm h LYS 84 N 0.94 -0.27 0.00 3.45 3.64 -1.15 -2.28 116.57 120.90 2grm h LYS 84 Ca 0.26 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2grm h LYS 84 Cb -0.09 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2grm h LYS 84 CO -0.06 -0.13 0.00 0.82 -2.27 0.00 0.00 179.45 177.81 2grm h ILE 85 N -0.35 0.00 0.00 2.00 1.08 -0.52 -0.47 117.51 119.24 2grm h ILE 85 Ca -0.03 -0.19 -0.10 0.00 -0.39 0.00 0.00 64.86 64.15 2grm h ILE 85 Cb 0.27 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 2grm h ILE 85 CO 0.05 0.00 -0.55 0.15 -0.69 0.00 0.00 178.15 177.11 2grm h PHE 86 N 0.00 0.00 -0.01 1.37 3.57 -0.50 -2.91 116.94 118.46 2grm h PHE 86 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2grm h PHE 86 Cb 0.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.96 2grm h PHE 86 CO 0.00 0.46 -0.34 0.25 -2.23 0.00 0.00 178.31 176.46 2grm n THR 87 N -3.18 0.00 -3.16 4.41 -2.24 -0.91 -4.57 114.28 104.63 2grm n THR 87 Ca 0.01 -0.33 -0.22 0.00 -2.27 0.00 0.00 64.05 61.24 2grm n THR 87 Cb 0.73 1.12 -0.05 0.00 -2.10 0.00 0.00 70.33 70.03 2grm n THR 87 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2grm n ASN 88 N -0.42 1.86 0.00 3.42 3.02 -0.23 -4.96 115.26 117.94 2grm n ASN 88 Ca 0.05 -3.15 0.00 0.00 -0.03 0.00 0.00 54.58 51.45 2grm n ASN 88 Cb 0.26 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 2grm n ASN 88 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2grm n PRO 89 N 0.46 0.00 0.08 3.52 -0.04 -1.10 -1.24 135.00 136.68 2grm n PRO 89 Ca 0.26 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.70 2grm n PRO 89 Cb 0.54 -1.45 -0.05 0.00 -0.04 0.00 0.00 33.50 32.50 2grm n PRO 89 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2grm h ASP 90 N 0.00 0.00 -0.06 3.54 3.32 -1.93 -3.19 116.42 118.10 2grm h ASP 90 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2grm h ASP 90 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2grm h ASP 90 CO 0.00 0.72 0.00 0.18 -1.72 0.00 0.00 179.24 178.42 2grm n LEU 91 N -3.20 0.54 0.10 1.55 4.77 -0.38 -4.32 117.00 116.07 2grm n LEU 91 Ca -0.02 -0.23 -0.04 0.00 -0.03 0.00 0.00 56.01 55.69 2grm n LEU 91 Cb 0.84 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.88 2grm n LEU 91 CO 0.43 0.11 0.51 0.15 -1.33 0.00 0.00 177.39 177.26 2grm h PHE 92 N 0.71 -0.27 0.00 -1.77 3.57 -1.71 -3.22 116.94 114.24 2grm h PHE 92 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2grm h PHE 92 Cb 0.16 0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2grm h PHE 92 CO 0.04 -0.16 0.00 -0.25 -2.23 0.00 0.00 178.31 175.70 2grm n ASP 93 N -2.81 0.00 -0.34 0.41 8.00 -1.26 0.08 116.55 120.63 2grm n ASP 93 Ca -0.03 0.51 0.25 0.00 0.71 0.00 0.00 54.79 56.23 2grm n ASP 93 Cb 0.11 -0.09 0.49 0.00 -0.02 0.00 0.00 41.12 41.62 2grm n ASP 93 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2grm h LYS 94 N 0.00 0.30 -0.04 -1.24 1.57 -1.87 -0.39 116.57 114.90 2grm h LYS 94 Ca 0.00 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 2grm h LYS 94 Cb 0.00 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.25 2grm h LYS 94 CO 0.00 0.20 -0.35 -0.91 -0.57 0.00 0.00 179.45 177.82 2grm h ASN 95 N 0.31 0.38 0.05 0.86 -0.26 -1.40 -3.23 115.58 112.30 2grm h ASN 95 Ca 0.73 -0.70 -0.01 0.00 -0.56 0.00 0.00 56.30 55.77 2grm h ASN 95 Cb 1.74 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 38.89 2grm h ASN 95 CO -0.57 1.02 -0.05 0.15 -1.06 0.00 0.00 177.43 176.92 2grm h PHE 96 N -0.23 0.00 0.00 1.19 3.57 0.99 -0.91 116.94 121.56 2grm h PHE 96 Ca -0.03 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 2grm h PHE 96 Cb 1.04 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 2grm h PHE 96 CO 0.14 0.05 -0.19 1.96 -2.23 0.00 0.00 178.31 178.05 2grm h GLN 97 N 0.00 0.00 0.01 1.11 1.08 -1.14 -1.26 115.11 114.91 2grm h GLN 97 Ca -0.00 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.90 2grm h GLN 97 Cb 0.09 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.47 2grm h GLN 97 CO 0.01 0.19 -1.71 -0.09 -0.95 0.00 0.00 178.83 176.27 2grm h ARG 98 N 0.00 0.02 0.03 1.46 2.43 -1.22 -3.40 114.38 113.71 2grm h ARG 98 Ca -0.00 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 2grm h ARG 98 Cb 0.43 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2grm h ARG 98 CO 0.02 0.57 -0.57 0.82 -1.51 0.00 0.00 179.97 179.30 2grm h ILE 99 N 0.01 1.46 -0.96 1.20 5.03 -1.30 -3.38 117.51 119.56 2grm h ILE 99 Ca -0.29 -2.34 0.19 0.00 -0.12 0.00 0.00 64.86 62.30 2grm h ILE 99 Cb 2.01 3.01 -0.18 0.00 -3.03 0.00 0.00 36.82 38.63 2grm h ILE 99 CO 0.08 0.56 -0.25 1.21 -0.68 0.00 0.00 178.15 179.08 2grm n GLU 100 N -4.43 -0.09 0.26 2.37 0.00 -0.49 -0.01 120.64 118.25 2grm n GLU 100 Ca -0.18 1.49 0.12 0.00 0.00 0.00 0.00 57.16 58.60 2grm n GLU 100 Cb 0.62 -2.23 0.72 0.00 0.00 0.00 0.00 31.44 30.55 2grm n GLU 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 2grm h PRO 101 N 0.00 0.00 -0.63 5.31 0.11 -1.76 -2.87 132.00 132.16 2grm h PRO 101 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 2grm h PRO 101 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2grm h PRO 101 CO -0.98 0.11 0.00 1.63 -0.21 0.00 0.00 178.00 178.55 2grm n LYS 102 N -3.77 3.28 0.30 1.05 5.02 0.98 -4.62 118.16 120.40 2grm n LYS 102 Ca -0.02 -2.73 0.19 0.00 -2.02 0.00 0.00 58.31 53.73 2grm n LYS 102 Cb 0.22 -1.72 1.01 0.00 -0.02 0.00 0.00 35.03 34.52 2grm n LYS 102 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2grm h ARG 103 N 3.83 0.00 -0.37 1.97 0.11 -1.23 -1.23 114.38 117.47 2grm h ARG 103 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2grm h ARG 103 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 2grm h ARG 103 CO 0.13 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.48 2grm n LEU 104 N -3.35 3.11 0.20 0.08 4.77 -1.26 -2.72 117.00 117.82 2grm n LEU 104 Ca -0.02 -2.09 0.03 0.00 -0.03 0.00 0.00 56.01 53.91 2grm n LEU 104 Cb 0.19 -0.28 0.41 0.00 -2.33 0.00 0.00 43.42 41.40 2grm n LEU 104 CO 0.22 0.75 0.78 0.74 -1.33 0.00 0.00 177.39 178.54 2grm h THR 105 N 2.20 1.22 -1.24 -5.08 2.02 -1.55 -3.46 112.91 107.02 2grm h THR 105 Ca 0.00 -1.07 0.24 0.00 0.77 0.00 0.00 66.41 66.35 2grm h THR 105 Cb 0.82 1.58 -0.23 0.00 -1.74 0.00 0.00 68.15 68.57 2grm h THR 105 CO 0.02 0.31 0.87 -0.94 0.37 0.00 0.00 175.52 176.15 2grm s SER 106 N -6.94 -0.10 0.47 4.18 1.04 -1.26 -5.00 113.70 106.09 2grm s SER 106 Ca -0.03 0.06 0.25 0.00 0.48 0.00 0.00 55.95 56.71 2grm s SER 106 Cb 0.15 0.09 1.29 0.00 0.10 0.00 0.00 66.02 67.65 2grm s SER 106 CO 0.72 -0.13 1.84 -0.07 0.98 0.00 0.00 173.24 176.58 2grm h LEU 107 N 2.09 0.22 0.46 2.42 3.38 -1.89 -1.11 115.31 120.88 2grm h LEU 107 Ca -0.08 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2grm h LEU 107 Cb 1.17 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2grm h LEU 107 CO 0.23 0.07 -0.29 1.56 0.09 0.00 0.00 178.44 180.09 2grm h GLN 108 N 0.21 -0.70 0.00 1.13 1.08 -1.94 -1.49 115.11 113.41 2grm h GLN 108 Ca 0.49 0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.71 2grm h GLN 108 Cb 1.57 0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 29.15 2grm h GLN 108 CO -0.12 -0.47 -0.15 1.88 -0.95 0.00 0.00 178.83 179.02 2grm h TYR 109 N -0.73 0.00 -0.25 2.96 -1.99 -1.52 -1.98 116.97 113.46 2grm h TYR 109 Ca -0.05 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.51 2grm h TYR 109 Cb 0.60 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.32 2grm h TYR 109 CO -0.10 0.15 -0.53 0.35 -0.00 0.00 0.00 178.16 178.03 2grm h PHE 110 N 0.00 0.90 -0.61 4.88 3.57 -1.08 0.29 116.94 124.90 2grm h PHE 110 Ca -0.00 -0.31 -0.04 0.00 3.53 0.00 0.00 57.97 61.14 2grm h PHE 110 Cb 0.29 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 2grm h PHE 110 CO 0.00 1.10 0.20 1.03 -2.23 0.00 0.00 178.31 178.41 2grm h SER 111 N 0.56 0.87 -0.71 0.41 0.87 -0.76 0.20 113.55 114.99 2grm h SER 111 Ca 0.02 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.32 2grm h SER 111 Cb 1.10 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.81 2grm h SER 111 CO 0.11 0.83 0.23 0.40 -0.53 0.00 0.00 176.83 177.88 2grm h ILE 112 N 0.86 1.26 0.47 2.23 2.04 -1.08 -0.85 117.51 122.44 2grm h ILE 112 Ca 0.20 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 2grm h ILE 112 Cb 0.27 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2grm h ILE 112 CO -0.01 0.35 -0.24 0.22 0.00 0.00 0.00 178.15 178.47 2grm h TYR 113 N 1.07 -0.61 -0.29 1.37 3.20 0.34 -1.52 116.97 120.53 2grm h TYR 113 Ca 0.24 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.16 2grm h TYR 113 Cb 0.29 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 2grm h TYR 113 CO 0.02 -0.38 0.21 -0.07 -1.64 0.00 0.00 178.16 176.30 2grm h LEU 114 N -0.65 0.07 -0.13 2.82 3.38 -0.82 -0.89 115.31 119.08 2grm h LEU 114 Ca -0.06 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2grm h LEU 114 Cb 0.50 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2grm h LEU 114 CO 0.10 0.04 -0.03 1.23 0.09 0.00 0.00 178.44 179.87 2grm h GLY 115 N 0.08 0.09 0.96 0.83 0.00 -0.15 -1.56 103.07 103.32 2grm h GLY 115 Ca 0.14 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 2grm h GLY 115 CO -0.01 -0.05 0.16 -0.97 0.00 0.00 0.00 176.54 175.67 2grm h TYR 116 N -0.00 0.76 -0.79 5.60 -1.99 -0.59 -2.50 116.97 117.45 2grm h TYR 116 Ca 0.06 -0.07 0.17 0.00 2.00 0.00 0.00 58.73 60.89 2grm h TYR 116 Cb 0.10 -0.22 -0.05 0.00 2.00 0.00 0.00 36.73 38.56 2grm h TYR 116 CO -0.17 0.66 0.53 0.82 -0.00 0.00 0.00 178.16 179.99 2grm h ILE 117 N 0.64 0.76 0.08 -2.88 1.08 -0.91 -0.55 117.51 115.71 2grm h ILE 117 Ca 0.16 -0.13 -0.00 0.00 -0.39 0.00 0.00 64.86 64.49 2grm h ILE 117 Cb 0.24 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 2grm h ILE 117 CO -0.01 0.07 -0.04 0.28 -0.69 0.00 0.00 178.15 177.77 2grm h SER 118 N 0.39 -0.09 -0.89 1.72 0.02 -0.85 -2.28 113.55 111.57 2grm h SER 118 Ca 0.39 -0.28 0.14 0.00 -0.84 0.00 0.00 61.79 61.20 2grm h SER 118 Cb 0.96 0.02 -0.09 0.00 0.14 0.00 0.00 62.40 63.43 2grm h SER 118 CO -0.13 0.24 0.50 0.40 -1.14 0.00 0.00 176.83 176.71 2grm h ILE 119 N -0.42 0.79 0.76 3.27 2.04 -1.00 -1.64 117.51 121.30 2grm h ILE 119 Ca -0.01 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 2grm h ILE 119 Cb 0.36 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2grm h ILE 119 CO 0.02 0.13 -0.39 0.00 0.00 0.00 0.00 178.15 177.91 2grm h ALA 120 N 1.55 -1.06 -0.81 1.87 0.00 -0.97 -1.65 119.26 118.19 2grm h ALA 120 Ca 0.48 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 55.27 2grm h ALA 120 Cb 0.62 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 2grm h ALA 120 CO -0.33 -1.10 0.43 0.45 0.00 0.00 0.00 179.25 178.71 2grm h HIS 121 N -1.05 0.78 0.14 0.00 3.86 -1.04 0.63 115.15 118.48 2grm h HIS 121 Ca -0.10 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.15 2grm h HIS 121 Cb 0.81 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 29.03 2grm h HIS 121 CO -0.04 0.27 -0.23 1.25 0.86 0.00 0.00 177.93 180.04 2grm h HIS 122 N 0.70 -0.61 -0.25 2.45 6.17 -1.15 -1.81 115.15 120.65 2grm h HIS 122 Ca 0.41 0.01 -0.06 0.00 0.71 0.00 0.00 60.37 61.44 2grm h HIS 122 Cb 0.45 0.25 -0.03 0.00 2.52 0.00 0.00 27.41 30.59 2grm h HIS 122 CO -0.08 -0.33 0.07 0.66 0.71 0.00 0.00 177.93 178.96 2grm n TYR 123 N -5.35 0.85 -4.21 5.26 4.01 -0.64 -4.88 117.16 112.21 2grm n TYR 123 Ca -0.07 -0.48 -0.32 0.00 -0.16 0.00 0.00 57.90 56.88 2grm n TYR 123 Cb 0.26 -0.32 -0.06 0.00 -0.31 0.00 0.00 39.34 38.91 2grm n TYR 123 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2grm n ASN 124 N 0.13 -0.70 -4.83 7.72 5.03 -0.21 -4.93 115.26 117.47 2grm n ASN 124 Ca 0.13 -1.13 -0.38 0.00 0.87 0.00 0.00 54.58 54.08 2grm n ASN 124 Cb 0.69 -2.33 -0.06 0.00 -1.02 0.00 0.00 39.78 37.06 2grm n ASN 124 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2grm s ILE 125 N -3.87 5.15 -0.09 2.41 1.01 0.20 -4.99 121.20 121.02 2grm s ILE 125 Ca 0.26 0.70 -0.30 0.00 0.00 0.00 0.00 60.65 61.32 2grm s ILE 125 Cb -0.15 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 2grm s ILE 125 CO 0.95 0.56 1.30 -1.61 0.00 0.00 0.00 174.94 176.13 2grm s GLU 126 N -0.84 4.28 -0.49 2.79 0.41 -1.26 -4.34 118.70 119.24 2grm s GLU 126 Ca 0.22 1.76 0.06 0.00 -0.41 0.00 0.00 54.97 56.60 2grm s GLU 126 Cb -0.15 -3.68 0.22 0.00 -1.78 0.00 0.00 34.13 28.74 2grm s GLU 126 CO 0.11 -0.61 0.53 1.33 -0.49 0.00 0.00 175.26 176.13 2grm n VAL 127 N 5.01 0.16 -0.01 2.63 0.24 -1.26 -4.98 118.33 120.12 2grm n VAL 127 Ca 0.13 -4.26 0.01 0.00 -2.04 0.00 0.00 64.34 58.17 2grm n VAL 127 Cb 0.45 -1.95 0.33 0.00 -1.47 0.00 0.00 33.84 31.19 2grm n VAL 127 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 2grm h PRO 128 N 4.53 0.55 0.00 7.34 0.11 -2.02 -2.78 132.00 139.73 2grm h PRO 128 Ca 0.15 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 2grm h PRO 128 Cb 0.82 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 2grm h PRO 128 CO 0.56 0.51 -0.06 1.79 -0.21 0.00 0.00 178.00 180.59 2grm h THR 129 N 0.54 0.31 0.00 -1.15 1.35 -1.98 -2.81 112.91 109.16 2grm h THR 129 Ca 0.13 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 2grm h THR 129 Cb 0.21 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 2grm h THR 129 CO -0.00 0.06 0.00 0.33 -0.25 0.00 0.00 175.52 175.65 2grm n PHE 130 N -3.40 0.00 0.12 4.73 7.35 -1.05 -2.05 117.46 123.15 2grm n PHE 130 Ca -0.02 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.86 2grm n PHE 130 Cb 0.20 -0.38 0.63 0.00 0.35 0.00 0.00 39.48 40.27 2grm n PHE 130 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 2grm h ASN 131 N 0.00 0.00 0.84 -2.13 2.35 -1.67 0.12 115.58 115.09 2grm h ASN 131 Ca 0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 2grm h ASN 131 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2grm h ASN 131 CO 0.00 0.00 -1.26 0.11 -1.65 0.00 0.00 177.43 174.63 2grm h LYS 132 N 0.00 0.00 0.00 0.81 1.57 -1.55 -3.42 116.57 113.98 2grm h LYS 132 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2grm h LYS 132 Cb 1.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.75 2grm h LYS 132 CO -0.00 0.48 0.00 0.25 -0.57 0.00 0.00 179.45 179.61 2grm n THR 133 N -3.06 0.00 -0.08 -0.16 -2.24 0.18 -4.83 114.28 104.09 2grm n THR 133 Ca -0.08 -0.42 -0.08 0.00 -2.27 0.00 0.00 64.05 61.21 2grm n THR 133 Cb 0.89 1.04 -0.00 0.00 -2.10 0.00 0.00 70.33 70.15 2grm n THR 133 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2grm h ILE 134 N 0.04 0.93 -0.87 2.28 2.10 -1.14 0.43 117.51 121.28 2grm h ILE 134 Ca 0.00 -0.08 0.12 0.00 1.08 0.00 0.00 64.86 65.98 2grm h ILE 134 Cb 0.02 0.67 -0.07 0.00 -1.09 0.00 0.00 36.82 36.36 2grm h ILE 134 CO 0.00 0.04 0.56 0.74 -1.08 0.00 0.00 178.15 178.42 2grm h THR 135 N 0.24 0.90 0.15 2.19 2.02 -1.88 0.55 112.91 117.08 2grm h THR 135 Ca 0.13 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2grm h THR 135 Cb 0.09 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 2grm h THR 135 CO -0.13 0.14 -0.07 -1.28 0.37 0.00 0.00 175.52 174.55 2grm h SER 136 N 0.76 -0.17 -0.30 4.18 0.87 -1.72 -2.16 113.55 115.02 2grm h SER 136 Ca 0.42 -0.26 0.07 0.00 -1.23 0.00 0.00 61.79 60.79 2grm h SER 136 Cb 0.56 0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.49 2grm h SER 136 CO -0.18 0.18 -0.18 0.44 -0.53 0.00 0.00 176.83 176.55 2grm h ASP 137 N -0.53 -0.60 -0.56 6.23 3.32 0.37 -0.50 116.42 124.15 2grm h ASP 137 Ca -0.02 0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.20 2grm h ASP 137 Cb 0.41 0.31 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 2grm h ASP 137 CO 0.03 -0.22 0.32 -0.07 -1.72 0.00 0.00 179.24 177.58 2grm h LEU 138 N -0.15 0.49 -0.43 1.55 3.38 -0.99 0.91 115.31 120.07 2grm h LEU 138 Ca 0.16 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.22 2grm h LEU 138 Cb 0.39 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 2grm h LEU 138 CO -0.39 0.33 0.02 0.50 0.09 0.00 0.00 178.44 178.99 2grm h LYS 139 N 0.61 0.13 -0.66 1.13 1.63 -0.65 0.46 116.57 119.23 2grm h LYS 139 Ca 0.24 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.01 2grm h LYS 139 Cb 0.09 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 2grm h LYS 139 CO -0.13 0.09 0.33 1.25 -3.45 0.00 0.00 179.45 177.53 2grm h HIS 140 N 0.13 0.93 0.09 1.91 2.76 0.06 -3.22 115.15 117.81 2grm h HIS 140 Ca 0.21 -0.04 -0.14 0.00 -2.20 0.00 0.00 60.37 58.21 2grm h HIS 140 Cb 0.30 -0.29 0.02 0.00 1.55 0.00 0.00 27.41 28.98 2grm h HIS 140 CO -0.26 0.69 -0.58 -0.07 -1.30 0.00 0.00 177.93 176.40 2grm h LEU 141 N 0.90 0.36 -7.42 0.26 3.38 -0.31 -3.41 115.31 109.07 2grm h LEU 141 Ca 0.23 -0.94 -0.69 0.00 0.09 0.00 0.00 57.88 56.57 2grm h LEU 141 Cb 0.09 -0.12 -0.36 0.00 0.09 0.00 0.00 40.66 40.37 2grm h LEU 141 CO -0.03 1.27 -0.26 -0.31 0.09 0.00 0.00 178.44 179.19 2grm s TYR 142 N -2.49 3.62 0.00 1.13 2.02 0.16 -4.69 117.35 117.10 2grm s TYR 142 Ca -0.15 -2.90 0.00 0.00 -0.37 0.00 0.00 57.07 53.65 2grm s TYR 142 Cb 0.00 -3.18 0.00 0.00 -0.40 0.00 0.00 41.96 38.38 2grm s TYR 142 CO 0.79 -0.77 0.00 -3.47 -1.57 0.00 0.00 175.55 170.53 2grm n ASP 143 N 2.87 0.03 -1.68 2.29 4.64 -1.22 -4.59 116.55 118.89 2grm n ASP 143 Ca 0.15 0.00 -0.15 0.00 -1.38 0.00 0.00 54.79 53.41 2grm n ASP 143 Cb 0.37 0.00 0.17 0.00 -1.04 0.00 0.00 41.12 40.62 2grm n ASP 143 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 2grm n LYS 144 N -2.23 2.15 -3.49 -0.67 4.76 -1.26 -5.00 118.16 112.41 2grm n LYS 144 Ca 0.00 -3.20 -0.38 0.00 -2.87 0.00 0.00 58.31 51.86 2grm n LYS 144 Cb 0.01 -2.01 -0.06 0.00 -1.84 0.00 0.00 35.03 31.13 2grm n LYS 144 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2grm s ARG 145 N -3.34 4.02 0.00 1.97 1.81 -1.26 -4.96 118.95 117.18 2grm s ARG 145 Ca 0.51 0.34 0.00 0.00 -1.72 0.00 0.00 55.73 54.86 2grm s ARG 145 Cb 0.44 -3.29 0.00 0.00 -0.45 0.00 0.00 34.95 31.65 2grm s ARG 145 CO 0.03 0.53 0.00 0.25 -0.68 0.00 0.00 175.30 175.43 2grm n THR 146 N 2.44 0.00 -4.36 0.02 -2.24 -1.26 -5.07 114.28 103.81 2grm n THR 146 Ca -0.13 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.41 2grm n THR 146 Cb 0.52 -0.63 -0.12 0.00 -2.10 0.00 0.00 70.33 68.01 2grm n THR 146 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2grm s THR 147 N -1.91 2.02 -0.01 4.28 -4.23 -1.26 -5.06 115.64 109.48 2grm s THR 147 Ca 0.00 -1.85 0.06 0.00 -1.18 0.00 0.00 61.69 58.72 2grm s THR 147 Cb 0.00 -1.89 -0.02 0.00 1.34 0.00 0.00 72.50 71.93 2grm s THR 147 CO 0.00 -0.14 -0.20 -0.36 -0.54 0.00 0.00 174.62 173.38 2grm s PHE 148 N -1.60 1.75 0.56 3.99 0.40 -1.26 -5.13 117.98 116.68 2grm s PHE 148 Ca 0.15 -0.33 0.08 0.00 -0.60 0.00 0.00 56.93 56.23 2grm s PHE 148 Cb -0.08 -1.12 0.07 0.00 0.51 0.00 0.00 43.02 42.40 2grm s PHE 148 CO 0.07 -0.02 0.67 -0.06 0.70 0.00 0.00 175.22 176.58 2grm s PHE 149 N -0.49 1.51 0.17 0.36 0.40 -1.26 -4.97 117.98 113.69 2grm s PHE 149 Ca 0.07 -0.75 -0.18 0.00 -0.60 0.00 0.00 56.93 55.48 2grm s PHE 149 Cb -0.08 -2.12 0.09 0.00 0.51 0.00 0.00 43.02 41.42 2grm s PHE 149 CO -0.01 -0.93 1.66 0.78 0.70 0.00 0.00 175.22 177.43 2grm h GLY 150 N 0.37 0.23 2.00 4.36 0.00 -1.95 -0.87 103.07 107.20 2grm h GLY 150 Ca -0.32 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2grm h GLY 150 CO 0.46 -0.16 0.00 1.19 0.00 0.00 0.00 176.54 178.03 2grm h ILE 151 N -0.04 0.63 -0.10 2.60 6.09 -1.96 -1.75 117.51 122.98 2grm h ILE 151 Ca 0.19 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.67 2grm h ILE 151 Cb 0.32 1.00 -0.00 0.00 0.47 0.00 0.00 36.82 38.61 2grm h ILE 151 CO -0.42 0.00 0.05 0.44 -3.07 0.00 0.00 178.15 175.15 2grm h ASP 152 N 0.00 0.13 0.16 2.19 3.45 -1.53 0.50 116.42 121.32 2grm h ASP 152 Ca 0.00 -0.13 -0.08 0.00 0.43 0.00 0.00 57.03 57.25 2grm h ASP 152 Cb 0.00 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 2grm h ASP 152 CO -0.00 0.22 -0.29 1.88 -1.57 0.00 0.00 179.24 179.48 2grm h TYR 153 N 0.03 0.24 -0.09 4.55 -1.99 -1.24 -2.02 116.97 116.46 2grm h TYR 153 Ca 0.03 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 2grm h TYR 153 Cb 0.12 -0.06 -0.00 0.00 2.00 0.00 0.00 36.73 38.79 2grm h TYR 153 CO -0.03 0.50 0.03 1.49 -0.00 0.00 0.00 178.16 180.14 2grm h GLU 154 N 0.19 0.14 0.01 4.88 4.81 -0.97 -1.37 114.58 122.27 2grm h GLU 154 Ca 0.03 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2grm h GLU 154 Cb 0.63 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 2grm h GLU 154 CO 0.05 0.30 -0.23 0.82 -0.73 0.00 0.00 179.01 179.21 2grm h ILE 155 N -0.06 0.46 -0.03 2.32 2.04 -0.59 -2.12 117.51 119.53 2grm h ILE 155 Ca 0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2grm h ILE 155 Cb 0.22 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2grm h ILE 155 CO -0.00 0.00 -0.04 0.58 0.00 0.00 0.00 178.15 178.69 2grm h VAL 156 N -0.37 1.05 -0.29 1.67 2.07 -1.31 -0.38 116.25 118.68 2grm h VAL 156 Ca 0.06 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 2grm h VAL 156 Cb 0.45 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2grm h VAL 156 CO -0.20 0.06 0.04 0.28 0.02 0.00 0.00 177.57 177.77 2grm h SER 157 N 0.04 0.47 0.69 0.57 0.02 -0.59 -1.53 113.55 113.22 2grm h SER 157 Ca 0.01 -0.26 -0.12 0.00 -0.84 0.00 0.00 61.79 60.58 2grm h SER 157 Cb 0.10 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2grm h SER 157 CO 0.01 0.61 -0.56 0.78 -1.14 0.00 0.00 176.83 176.53 2grm h ASN 158 N 0.30 0.00 -0.42 3.07 -0.26 -1.03 -3.11 115.58 114.13 2grm h ASN 158 Ca 0.09 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.74 2grm h ASN 158 Cb 0.35 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 2grm h ASN 158 CO 0.01 0.56 -0.07 0.25 -1.06 0.00 0.00 177.43 177.12 2grm h LEU 159 N 0.00 0.85 -1.13 1.61 5.85 -0.81 -2.30 115.31 119.38 2grm h LEU 159 Ca -0.01 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2grm h LEU 159 Cb 1.06 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.86 2grm h LEU 159 CO 0.07 0.95 0.00 -0.07 -0.34 0.00 0.00 178.44 179.05 2grm h LEU 160 N 0.78 0.00 0.00 2.25 3.38 -1.21 -2.26 115.31 118.25 2grm h LEU 160 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2grm h LEU 160 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2grm h LEU 160 CO 0.03 0.00 -1.10 -3.20 0.09 0.00 0.00 178.44 174.26 2grm n ASN 161 N -2.31 0.59 -0.22 -0.43 5.15 -0.87 -4.41 115.26 112.76 2grm n ASN 161 Ca 0.00 -0.14 0.04 0.00 -0.60 0.00 0.00 54.58 53.89 2grm n ASN 161 Cb 0.14 0.85 0.06 0.00 -0.53 0.00 0.00 39.78 40.31 2grm n ASN 161 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 2grm n VAL 162 N -2.06 0.92 -3.76 3.44 0.24 -0.96 -5.02 118.33 111.12 2grm n VAL 162 Ca 0.01 -1.08 -0.13 0.00 -2.04 0.00 0.00 64.34 61.11 2grm n VAL 162 Cb 0.46 0.22 -0.12 0.00 -1.47 0.00 0.00 33.84 32.93 2grm n VAL 162 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2grm s LEU 163 N -1.34 0.79 0.16 1.34 2.96 -0.89 -5.07 118.68 116.62 2grm s LEU 163 Ca 0.14 0.50 -0.34 0.00 -0.22 0.00 0.00 54.13 54.21 2grm s LEU 163 Cb 0.12 0.78 -0.14 0.00 0.50 0.00 0.00 46.19 47.46 2grm s LEU 163 CO 0.01 -0.12 1.56 -0.81 -1.32 0.00 0.00 176.35 175.67 2grm n PRO 164 N 3.51 2.10 -0.29 0.98 -0.04 -1.26 -4.71 135.00 135.29 2grm n PRO 164 Ca -0.18 0.76 0.23 0.00 -0.04 0.00 0.00 63.50 64.26 2grm n PRO 164 Cb 0.56 -2.51 0.43 0.00 -0.04 0.00 0.00 33.50 31.93 2grm n PRO 164 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2grm n TYR 165 N 3.28 0.87 0.20 0.54 9.36 -1.26 -0.21 117.16 129.93 2grm n TYR 165 Ca 0.17 1.06 0.13 0.00 3.32 0.00 0.00 57.90 62.58 2grm n TYR 165 Cb 0.29 -1.36 0.72 0.00 -0.63 0.00 0.00 39.34 38.36 2grm n TYR 165 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 2grm h GLU 166 N 0.00 0.00 0.05 2.98 4.57 -2.01 0.13 114.58 120.30 2grm h GLU 166 Ca 0.68 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.62 2grm h GLU 166 Cb 1.68 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.26 2grm h GLU 166 CO -0.74 0.00 -1.07 0.93 -1.18 0.00 0.00 179.01 176.94 2grm h GLU 167 N 0.00 0.16 0.00 1.92 5.08 -0.93 -3.31 114.58 117.50 2grm h GLU 167 Ca 0.07 -0.24 -0.15 0.00 -1.00 0.00 0.00 59.36 58.04 2grm h GLU 167 Cb 0.31 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2grm h GLU 167 CO -0.00 1.08 -0.92 0.28 -1.00 0.00 0.00 179.01 178.45 2grm h VAL 168 N 0.06 0.89 -0.50 3.13 2.07 -1.27 -3.40 116.25 117.22 2grm h VAL 168 Ca -0.07 -2.37 0.05 0.00 0.82 0.00 0.00 66.70 65.13 2grm h VAL 168 Cb 1.79 2.37 -0.06 0.00 -1.52 0.00 0.00 31.29 33.87 2grm h VAL 168 CO 0.16 0.51 -0.33 -1.28 0.02 0.00 0.00 177.57 176.65 2grm h SER 169 N 0.00 -1.18 -0.37 0.57 0.87 -0.89 -1.17 113.55 111.38 2grm h SER 169 Ca -0.07 0.18 0.11 0.00 -1.23 0.00 0.00 61.79 60.78 2grm h SER 169 Cb 1.54 0.52 -0.01 0.00 -0.44 0.00 0.00 62.40 64.00 2grm h SER 169 CO 0.07 -0.14 0.33 0.77 -0.53 0.00 0.00 176.83 177.33 2grm h SER 170 N -0.04 0.00 0.49 6.23 4.64 -1.78 -1.81 113.55 121.28 2grm h SER 170 Ca 0.08 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.21 2grm h SER 170 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2grm h SER 170 CO -0.49 0.00 -0.83 0.40 -0.87 0.00 0.00 176.83 175.03 2grm h ILE 171 N 0.00 1.46 0.11 0.95 1.08 -1.47 -3.36 117.51 116.28 2grm h ILE 171 Ca 0.18 -2.46 -0.01 0.00 -0.39 0.00 0.00 64.86 62.18 2grm h ILE 171 Cb 0.84 2.36 0.00 0.00 -3.07 0.00 0.00 36.82 36.95 2grm h ILE 171 CO -0.00 0.72 -0.05 0.40 -0.69 0.00 0.00 178.15 178.53 2grm h ILE 172 N 0.15 1.03 -0.97 -0.67 2.04 -1.02 -3.37 117.51 114.70 2grm h ILE 172 Ca -0.04 -1.26 0.30 0.00 1.00 0.00 0.00 64.86 64.86 2grm h ILE 172 Cb 1.44 1.75 -0.18 0.00 -0.74 0.00 0.00 36.82 39.09 2grm h ILE 172 CO 0.13 0.27 0.15 0.29 0.00 0.00 0.00 178.15 179.00 2grm n LYS 173 N -4.87 -0.07 0.00 2.37 4.76 -1.13 0.12 118.16 119.33 2grm n LYS 173 Ca -0.08 1.42 0.10 0.00 -2.87 0.00 0.00 58.31 56.88 2grm n LYS 173 Cb 0.28 -2.33 0.59 0.00 -1.84 0.00 0.00 35.03 31.73 2grm n LYS 173 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2grm n PRO 174 N -5.38 0.75 0.00 1.97 -0.04 -1.26 -2.88 135.00 128.16 2grm n PRO 174 Ca 0.27 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.84 2grm n PRO 174 Cb 0.88 -1.41 0.11 0.00 -0.04 0.00 0.00 33.50 33.04 2grm n PRO 174 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2grm n MET 175 N -0.91 1.99 -4.13 0.54 2.81 0.31 -4.95 117.12 112.78 2grm n MET 175 Ca 0.15 -1.61 -0.09 0.00 -1.81 0.00 0.00 57.70 54.33 2grm n MET 175 Cb 0.07 -1.47 -0.10 0.00 -0.71 0.00 0.00 33.22 31.01 2grm n MET 175 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2grm s TYR 176 N -2.13 0.72 0.69 2.03 1.51 -1.14 -4.54 117.35 114.50 2grm s TYR 176 Ca 0.26 -0.94 -0.11 0.00 -1.01 0.00 0.00 57.07 55.27 2grm s TYR 176 Cb 0.20 -0.45 0.01 0.00 -0.11 0.00 0.00 41.96 41.60 2grm s TYR 176 CO 0.37 -0.23 1.06 -1.25 -1.11 0.00 0.00 175.55 174.39 2grm s PRO 177 N -3.66 2.96 0.20 -1.71 0.04 -1.26 -4.95 135.00 126.61 2grm s PRO 177 Ca 0.08 0.97 -0.17 0.00 0.04 0.00 0.00 61.00 61.92 2grm s PRO 177 Cb 0.05 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 2grm s PRO 177 CO -0.06 -1.08 0.65 0.42 0.04 0.00 0.00 177.00 176.96 2grm s ILE 178 N -3.01 4.71 -0.01 0.56 1.01 -1.26 -5.00 121.20 118.20 2grm s ILE 178 Ca 0.58 1.04 0.01 0.00 0.00 0.00 0.00 60.65 62.28 2grm s ILE 178 Cb -0.14 -3.78 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 2grm s ILE 178 CO 0.54 0.18 0.02 1.33 0.00 0.00 0.00 174.94 177.00 2grm n VAL 179 N 0.63 0.00 -3.86 2.92 0.24 -1.26 -4.94 118.33 112.06 2grm n VAL 179 Ca -0.03 -0.21 -0.09 0.00 -2.04 0.00 0.00 64.34 61.97 2grm n VAL 179 Cb 0.52 0.70 -0.06 0.00 -1.47 0.00 0.00 33.84 33.52 2grm n VAL 179 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2grm s ASP 180 N -1.64 -0.01 -0.07 -1.34 1.01 -1.26 -4.94 116.67 108.43 2grm s ASP 180 Ca -0.00 -0.69 -0.04 0.00 0.71 0.00 0.00 52.55 52.53 2grm s ASP 180 Cb 0.00 0.43 -0.04 0.00 1.01 0.00 0.00 42.92 44.33 2grm s ASP 180 CO 0.02 -0.86 0.11 -0.55 0.21 0.00 0.00 175.17 174.10 2grm s SER 181 N -2.91 6.02 -0.12 0.27 0.15 -1.26 -5.01 113.70 110.84 2grm s SER 181 Ca 0.11 0.32 0.21 0.00 0.70 0.00 0.00 55.95 57.29 2grm s SER 181 Cb 0.03 -1.85 0.45 0.00 -1.71 0.00 0.00 66.02 62.94 2grm s SER 181 CO -0.05 0.35 1.16 0.49 1.20 0.00 0.00 173.24 176.39 2grm n PHE 182 N 1.63 0.53 0.00 3.44 3.72 -1.26 -5.06 117.46 120.47 2grm n PHE 182 Ca -0.16 -1.21 0.00 0.00 -0.05 0.00 0.00 57.45 56.03 2grm n PHE 182 Cb 0.54 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 2grm n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2grm n GLY 183 N -0.14 3.43 0.37 1.37 0.00 -1.26 -4.55 105.19 104.42 2grm n GLY 183 Ca 0.11 -1.85 0.01 0.00 0.00 0.00 0.00 46.02 44.28 2grm n GLY 183 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2grm h LYS 184 N 0.00 1.21 -0.32 1.61 1.79 -1.97 0.24 116.57 119.13 2grm h LYS 184 Ca 0.00 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 2grm h LYS 184 Cb 0.00 -0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 30.36 2grm h LYS 184 CO 0.00 0.80 0.13 -0.44 -1.08 0.00 0.00 179.45 178.86 2grm h ASP 185 N 1.25 0.45 -0.39 0.86 3.32 -1.99 -0.60 116.42 119.32 2grm h ASP 185 Ca 0.39 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 2grm h ASP 185 Cb 0.01 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2grm h ASP 185 CO -0.12 0.50 0.06 0.22 -1.72 0.00 0.00 179.24 178.18 2grm h TYR 186 N 0.38 0.69 -0.07 4.55 5.03 -1.62 -1.85 116.97 124.07 2grm h TYR 186 Ca 0.11 -0.10 -0.03 0.00 2.58 0.00 0.00 58.73 61.29 2grm h TYR 186 Cb 0.19 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.28 2grm h TYR 186 CO -0.00 0.69 -0.07 -0.44 -1.32 0.00 0.00 178.16 177.01 2grm h ASP 187 N 0.49 0.10 -0.02 -2.11 3.32 -0.36 -2.15 116.42 115.68 2grm h ASP 187 Ca 0.12 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 2grm h ASP 187 Cb 0.38 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.91 2grm h ASP 187 CO 0.01 0.19 -0.43 0.25 -1.72 0.00 0.00 179.24 177.53 2grm h LEU 188 N 0.11 0.41 -0.98 1.55 7.12 -0.75 -3.17 115.31 119.61 2grm h LEU 188 Ca 0.02 -0.74 -0.11 0.00 0.13 0.00 0.00 57.88 57.19 2grm h LEU 188 Cb 0.20 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.19 2grm h LEU 188 CO 0.01 1.09 -0.51 0.71 -0.13 0.00 0.00 178.44 179.62 2grm h THR 189 N -0.23 1.37 0.00 1.05 1.35 -1.22 -2.17 112.91 113.05 2grm h THR 189 Ca -0.05 -1.74 -0.03 0.00 -0.55 0.00 0.00 66.41 64.04 2grm h THR 189 Cb 1.14 1.94 -0.00 0.00 -1.73 0.00 0.00 68.15 69.50 2grm h THR 189 CO 0.09 0.50 -0.12 0.16 -0.25 0.00 0.00 175.52 175.89 2grm h ILE 190 N 0.01 0.33 0.02 6.82 3.07 -1.47 -2.69 117.51 123.60 2grm h ILE 190 Ca -0.00 -0.79 -0.28 0.00 1.55 0.00 0.00 64.86 65.34 2grm h ILE 190 Cb 0.90 1.60 -0.04 0.00 -0.27 0.00 0.00 36.82 39.01 2grm h ILE 190 CO 0.07 0.12 -1.59 1.56 -1.05 0.00 0.00 178.15 177.26 2grm h GLN 191 N 0.00 0.03 -0.59 0.16 4.20 -1.44 -3.31 115.11 114.16 2grm h GLN 191 Ca -0.00 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 2grm h GLN 191 Cb 0.59 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 2grm h GLN 191 CO 0.02 0.67 0.16 1.15 -0.67 0.00 0.00 178.83 180.16 2grm h THR 192 N 0.01 1.25 -0.23 -0.54 2.02 -1.08 0.46 112.91 114.80 2grm h THR 192 Ca -0.24 -0.86 0.02 0.00 0.77 0.00 0.00 66.41 66.10 2grm h THR 192 Cb 1.97 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 69.04 2grm h THR 192 CO 0.09 0.32 0.08 0.58 0.37 0.00 0.00 175.52 176.96 2grm h VAL 193 N 0.85 0.94 -0.51 3.16 2.07 -1.65 0.83 116.25 121.94 2grm h VAL 193 Ca 0.19 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 2grm h VAL 193 Cb 0.32 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2grm h VAL 193 CO -0.00 0.03 0.30 -0.07 0.02 0.00 0.00 177.57 177.86 2grm h LEU 194 N 0.18 0.61 -0.64 2.57 3.38 -1.58 0.16 115.31 119.98 2grm h LEU 194 Ca 0.10 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 2grm h LEU 194 Cb 0.07 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2grm h LEU 194 CO -0.10 0.49 -0.04 0.50 0.09 0.00 0.00 178.44 179.38 2grm h LYS 195 N 0.68 1.02 -0.02 1.13 3.11 -0.53 0.12 116.57 122.08 2grm h LYS 195 Ca 0.18 -0.34 -0.22 0.00 -2.81 0.00 0.00 60.65 57.46 2grm h LYS 195 Cb -0.01 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.14 2grm h LYS 195 CO -0.03 1.02 -0.91 -0.91 -2.81 0.00 0.00 179.45 175.81 2grm h ASN 196 N 0.93 0.56 0.02 4.20 2.35 -0.71 -2.59 115.58 120.35 2grm h ASN 196 Ca 0.16 -0.44 -0.16 0.00 -0.55 0.00 0.00 56.30 55.31 2grm h ASN 196 Cb 0.59 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 2grm h ASN 196 CO 0.04 1.23 -0.55 0.00 -1.65 0.00 0.00 177.43 176.50 2grm h ALA 197 N 0.74 0.70 -0.37 -0.83 0.00 -0.86 -2.02 119.26 116.62 2grm h ALA 197 Ca -0.07 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.21 2grm h ALA 197 Cb 1.54 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2grm h ALA 197 CO 0.16 0.69 -0.22 1.25 0.00 0.00 0.00 179.25 181.13 2grm h LEU 198 N 0.43 0.74 -0.23 0.00 5.85 -0.78 -1.14 115.31 120.17 2grm h LEU 198 Ca 0.01 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 2grm h LEU 198 Cb 1.09 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2grm h LEU 198 CO 0.10 0.94 0.05 0.74 -0.34 0.00 0.00 178.44 179.93 2grm h THR 199 N 0.64 1.22 -0.60 1.05 2.02 -1.33 -2.19 112.91 113.72 2grm h THR 199 Ca 0.09 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 2grm h THR 199 Cb 0.72 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 2grm h THR 199 CO 0.06 0.22 0.34 0.40 0.37 0.00 0.00 175.52 176.91 2grm h ILE 200 N 0.19 1.19 0.19 3.11 1.08 -1.22 -0.82 117.51 121.23 2grm h ILE 200 Ca 0.07 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 2grm h ILE 200 Cb 0.29 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 2grm h ILE 200 CO 0.00 0.20 -0.19 0.28 -0.69 0.00 0.00 178.15 177.75 2grm h SER 201 N 0.81 -0.51 -0.76 1.72 0.02 -1.12 -1.83 113.55 111.88 2grm h SER 201 Ca 0.21 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.24 2grm h SER 201 Cb 0.02 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 2grm h SER 201 CO -0.04 -0.28 0.49 0.40 -1.14 0.00 0.00 176.83 176.26 2grm h ILE 202 N -0.41 1.14 0.00 3.27 1.08 -1.26 0.01 117.51 121.35 2grm h ILE 202 Ca 0.00 -0.33 -0.01 0.00 -0.39 0.00 0.00 64.86 64.13 2grm h ILE 202 Cb 0.39 0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 34.22 2grm h ILE 202 CO -0.05 0.18 -0.07 -0.03 -0.69 0.00 0.00 178.15 177.49 2grm h MET 203 N 0.97 0.00 -0.53 2.37 4.05 -0.88 -0.57 114.93 120.33 2grm h MET 203 Ca 0.30 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.72 2grm h MET 203 Cb -0.02 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.78 2grm h MET 203 CO -0.10 0.07 0.00 0.09 0.23 0.00 0.00 176.91 177.20 2grm n ASN 204 N -3.56 3.57 -0.41 1.39 5.03 -0.42 -4.92 115.26 115.94 2grm n ASN 204 Ca -0.02 -1.98 -0.05 0.00 0.87 0.00 0.00 54.58 53.41 2grm n ASN 204 Cb 0.19 -0.35 -0.02 0.00 -1.02 0.00 0.00 39.78 38.58 2grm n ASN 204 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2grm n ARG 205 N 1.40 -1.83 -2.37 3.52 0.63 -0.22 -4.82 116.66 112.96 2grm n ARG 205 Ca 0.20 0.58 -0.36 0.00 -0.92 0.00 0.00 57.85 57.34 2grm n ARG 205 Cb 0.58 -4.77 -0.03 0.00 0.45 0.00 0.00 32.46 28.69 2grm n ARG 205 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2grm s ASN 206 N -1.86 6.06 0.34 6.15 3.84 -0.17 -4.77 114.94 124.53 2grm s ASN 206 Ca 0.00 -1.81 0.13 0.00 0.21 0.00 0.00 52.86 51.39 2grm s ASN 206 Cb 0.00 -2.58 0.61 0.00 -0.55 0.00 0.00 41.25 38.73 2grm s ASN 206 CO 0.00 -1.97 1.75 -0.07 -2.79 0.00 0.00 177.10 174.02 2grm h LEU 207 N 14.72 0.00 -1.23 3.21 3.38 -1.88 -2.46 115.31 131.06 2grm h LEU 207 Ca 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 2grm h LEU 207 Cb 0.93 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 2grm h LEU 207 CO 1.36 0.45 0.21 0.50 0.09 0.00 0.00 178.44 181.04 2grm h LYS 208 N 0.00 0.74 0.01 1.13 3.64 -1.97 0.08 116.57 120.20 2grm h LYS 208 Ca -0.00 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2grm h LYS 208 Cb 0.82 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2grm h LYS 208 CO 0.06 0.61 -0.00 0.93 -2.27 0.00 0.00 179.45 178.78 2grm h GLU 209 N 0.74 -0.01 -0.83 1.90 4.39 -1.94 -3.05 114.58 115.78 2grm h GLU 209 Ca 0.18 0.00 0.19 0.00 0.34 0.00 0.00 59.36 60.07 2grm h GLU 209 Cb 0.15 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.69 2grm h GLU 209 CO -0.02 0.79 0.31 0.00 -1.16 0.00 0.00 179.01 178.92 2grm h ALA 210 N 0.09 1.21 -0.62 3.43 0.00 -1.26 0.49 119.26 122.61 2grm h ALA 210 Ca -0.00 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2grm h ALA 210 Cb 0.80 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 2grm h ALA 210 CO 0.00 -0.31 0.36 0.37 0.00 0.00 0.00 179.25 179.67 2grm h GLN 211 N 0.37 0.67 0.14 0.00 5.75 -1.05 -1.71 115.11 119.28 2grm h GLN 211 Ca 0.49 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.95 2grm h GLN 211 Cb 0.87 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.26 2grm h GLN 211 CO -0.50 0.44 -0.11 -0.92 -2.65 0.00 0.00 178.83 175.09 2grm h TYR 212 N 0.69 -0.28 -0.52 3.99 3.20 0.03 -1.67 116.97 122.41 2grm h TYR 212 Ca 0.26 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 2grm h TYR 212 Cb 0.10 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 2grm h TYR 212 CO -0.07 -0.17 0.25 1.88 -1.64 0.00 0.00 178.16 178.41 2grm h TYR 213 N -0.26 0.71 -0.12 -3.82 0.05 -0.99 -0.35 116.97 112.20 2grm h TYR 213 Ca -0.00 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 2grm h TYR 213 Cb 0.23 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 2grm h TYR 213 CO -0.10 0.52 0.05 0.82 -1.05 0.00 0.00 178.16 178.40 2grm h ILE 214 N 0.72 1.14 -0.81 -2.88 2.04 -1.02 -0.34 117.51 116.36 2grm h ILE 214 Ca 0.18 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.64 2grm h ILE 214 Cb 0.07 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 2grm h ILE 214 CO -0.03 0.13 0.53 0.78 0.00 0.00 0.00 178.15 179.56 2grm h ASN 215 N 0.04 0.90 -0.70 1.72 -0.26 -0.79 0.83 115.58 117.32 2grm h ASN 215 Ca 0.04 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 2grm h ASN 215 Cb 0.16 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.17 2grm h ASN 215 CO -0.00 0.64 0.45 1.56 -1.06 0.00 0.00 177.43 179.02 2grm h GLN 216 N 1.06 0.92 -0.11 0.81 1.08 -0.73 0.68 115.11 118.82 2grm h GLN 216 Ca 0.31 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.43 2grm h GLN 216 Cb -0.07 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.15 2grm h GLN 216 CO -0.09 0.62 -0.01 0.35 -0.95 0.00 0.00 178.83 178.75 2grm h PHE 217 N 0.95 0.23 -0.71 2.96 3.57 -0.48 -2.75 116.94 120.71 2grm h PHE 217 Ca 0.25 -0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.83 2grm h PHE 217 Cb -0.09 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.54 2grm h PHE 217 CO -0.02 0.48 0.47 1.49 -2.23 0.00 0.00 178.31 178.50 2grm h GLU 218 N -0.09 0.48 -0.58 1.11 4.57 -0.53 -0.11 114.58 119.43 2grm h GLU 218 Ca 0.03 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 2grm h GLU 218 Cb 0.40 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 2grm h GLU 218 CO 0.01 0.32 0.13 1.25 -1.18 0.00 0.00 179.01 179.54 2grm h HIS 219 N 0.50 0.95 -0.82 0.92 2.76 -0.59 -2.89 115.15 115.97 2grm h HIS 219 Ca 0.34 -0.10 0.14 0.00 -2.20 0.00 0.00 60.37 58.55 2grm h HIS 219 Cb 0.64 -0.27 -0.06 0.00 1.55 0.00 0.00 27.41 29.27 2grm h HIS 219 CO -0.00 0.79 0.54 -0.07 -1.30 0.00 0.00 177.93 177.89 2grm h LEU 220 N 0.87 0.52 -1.67 0.26 4.07 -0.76 0.20 115.31 118.80 2grm h LEU 220 Ca 0.19 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.18 2grm h LEU 220 Cb 0.33 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2grm h LEU 220 CO 0.00 0.27 0.00 0.11 -1.08 0.00 0.00 178.44 177.74 2grm h LYS 221 N 0.55 0.00 0.05 1.13 1.57 -1.52 -2.25 116.57 116.10 2grm h LYS 221 Ca 0.40 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.93 2grm h LYS 221 Cb 0.77 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.09 2grm h LYS 221 CO -0.16 0.00 -1.08 1.15 -0.57 0.00 0.00 179.45 178.79 2grm h THR 222 N 0.00 1.37 -2.83 -0.16 2.02 -0.73 -3.46 112.91 109.13 2grm h THR 222 Ca 0.00 -2.53 -0.52 0.00 0.77 0.00 0.00 66.41 64.13 2grm h THR 222 Cb 0.23 2.57 0.05 0.00 -1.74 0.00 0.00 68.15 69.25 2grm h THR 222 CO 0.00 0.76 0.90 -0.63 0.37 0.00 0.00 175.52 176.92 2grm s ILE 223 N -3.10 2.48 0.27 3.11 1.01 -0.85 -4.97 121.20 119.15 2grm s ILE 223 Ca -0.07 0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.64 2grm s ILE 223 Cb 0.07 -3.23 -0.09 0.00 0.01 0.00 0.00 42.46 39.23 2grm s ILE 223 CO 0.89 0.03 1.21 -0.75 0.00 0.00 0.00 174.94 176.32 2grm s LYS 224 N 1.03 4.49 -0.95 2.79 2.20 -1.26 -3.32 119.74 124.71 2grm s LYS 224 Ca 0.70 1.98 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 2grm s LYS 224 Cb -0.45 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 2grm s LYS 224 CO 0.32 -0.03 0.00 0.09 -0.36 0.00 0.00 175.35 175.38 2grm n ASN 225 N 1.48 -4.68 -4.68 1.43 4.13 -1.26 -4.58 115.26 107.10 2grm n ASN 225 Ca 0.01 0.22 -0.39 0.00 1.68 0.00 0.00 54.58 56.10 2grm n ASN 225 Cb 0.43 -2.97 -0.06 0.00 -1.54 0.00 0.00 39.78 35.64 2grm n ASN 225 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2grm s ILE 226 N -2.14 5.12 -0.66 2.41 2.07 -1.21 -4.90 121.20 121.90 2grm s ILE 226 Ca 0.00 0.97 -0.23 0.00 -1.41 0.00 0.00 60.65 59.97 2grm s ILE 226 Cb 0.00 -3.84 0.06 0.00 0.13 0.00 0.00 42.46 38.81 2grm s ILE 226 CO 0.00 0.21 1.01 -0.44 -1.91 0.00 0.00 174.94 173.81 2grm s SER 227 N 1.03 6.19 -0.23 4.50 0.01 -1.26 -5.00 113.70 118.93 2grm s SER 227 Ca 0.25 -0.85 -0.29 0.00 1.31 0.00 0.00 55.95 56.37 2grm s SER 227 Cb -0.15 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2grm s SER 227 CO 0.10 -1.48 1.12 -0.63 0.41 0.00 0.00 173.24 172.75 2grm s ILE 228 N 4.31 4.52 0.09 1.44 -1.09 -1.26 -4.69 121.20 124.52 2grm s ILE 228 Ca 0.25 1.82 -0.31 0.00 -2.23 0.00 0.00 60.65 60.18 2grm s ILE 228 Cb -0.15 -4.24 -0.09 0.00 -1.58 0.00 0.00 42.46 36.40 2grm s ILE 228 CO 0.12 -0.23 1.65 0.21 -1.23 0.00 0.00 174.94 175.46 2grm s ASN 229 N 1.57 6.58 0.02 3.58 3.84 -1.26 -4.95 114.94 124.32 2grm s ASN 229 Ca 0.48 2.53 -0.07 0.00 0.21 0.00 0.00 52.86 56.01 2grm s ASN 229 Cb -0.16 -2.57 -0.03 0.00 -0.55 0.00 0.00 41.25 37.94 2grm s ASN 229 CO 0.11 -0.89 1.11 1.23 -2.79 0.00 0.00 177.10 175.87 2grm h GLY 230 N 8.25 -1.18 -0.52 1.21 0.00 -1.99 -0.89 103.07 107.96 2grm h GLY 230 Ca -0.43 0.53 0.09 0.00 0.00 0.00 0.00 47.33 47.53 2grm h GLY 230 CO 0.93 -0.42 -0.44 0.00 0.00 0.00 0.00 176.54 176.62 2grm h TYR 232 N -0.21 0.09 -0.04 0.00 0.99 -1.95 0.22 116.97 116.07 2grm h TYR 232 Ca 0.18 0.04 0.01 0.00 2.00 0.00 0.00 58.73 60.96 2grm h TYR 232 Cb 0.56 0.05 -0.00 0.00 1.00 0.00 0.00 36.73 38.33 2grm h TYR 232 CO -0.72 -0.07 0.04 0.22 -0.00 0.00 0.00 178.16 177.63 2grm h ASP 233 N 0.19 0.00 0.12 3.88 3.58 0.45 0.71 116.42 125.35 2grm h ASP 233 Ca 0.29 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.51 2grm h ASP 233 Cb 0.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2grm h ASP 233 CO -0.42 0.00 -1.13 0.25 -2.88 0.00 0.00 179.24 175.06 2grm h LEU 234 N 0.00 0.38 -0.49 2.28 5.85 0.48 -2.69 115.31 121.13 2grm h LEU 234 Ca 0.02 -0.88 -0.11 0.00 0.84 0.00 0.00 57.88 57.75 2grm h LEU 234 Cb 0.10 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2grm h LEU 234 CO -0.00 1.51 -0.14 -0.08 -0.34 0.00 0.00 178.44 179.38 2grm h GLU 235 N -0.39 0.96 -0.34 1.25 4.81 -0.06 -1.54 114.58 119.27 2grm h GLU 235 Ca -0.23 -0.38 -0.11 0.00 -0.13 0.00 0.00 59.36 58.51 2grm h GLU 235 Cb 1.67 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.99 2grm h GLU 235 CO 0.08 1.04 -0.23 0.82 -0.73 0.00 0.00 179.01 180.00 2grm h ILE 236 N 0.81 1.27 -0.15 2.32 2.04 0.28 -1.51 117.51 122.56 2grm h ILE 236 Ca 0.12 -1.31 -0.07 0.00 1.00 0.00 0.00 64.86 64.60 2grm h ILE 236 Cb 0.71 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 2grm h ILE 236 CO 0.05 0.43 -0.23 -1.13 0.00 0.00 0.00 178.15 177.27 2grm h ASN 237 N 0.59 0.26 -0.24 1.72 -0.73 -1.25 -0.00 115.58 115.92 2grm h ASN 237 Ca 0.08 -0.07 -0.06 0.00 1.87 0.00 0.00 56.30 58.11 2grm h ASN 237 Cb 0.70 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.22 2grm h ASN 237 CO 0.05 0.51 -0.10 0.22 -0.37 0.00 0.00 177.43 177.74 2grm h TYR 238 N 0.24 0.57 -0.02 0.67 5.03 -0.77 -2.29 116.97 120.40 2grm h TYR 238 Ca 0.04 -0.14 -0.02 0.00 2.58 0.00 0.00 58.73 61.20 2grm h TYR 238 Cb 0.55 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.69 2grm h TYR 238 CO 0.01 0.75 -0.07 -0.07 -1.32 0.00 0.00 178.16 177.46 2grm h LEU 239 N 0.23 0.03 -0.49 2.82 3.38 -0.74 -0.69 115.31 119.84 2grm h LEU 239 Ca 0.06 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2grm h LEU 239 Cb 0.59 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2grm h LEU 239 CO 0.03 0.11 0.21 0.11 0.09 0.00 0.00 178.44 178.99 2grm h LYS 240 N 0.03 0.72 0.77 1.13 1.57 -0.54 -0.47 116.57 119.80 2grm h LYS 240 Ca 0.01 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 2grm h LYS 240 Cb 0.15 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 2grm h LYS 240 CO 0.01 0.63 -0.44 1.96 -0.57 0.00 0.00 179.45 181.04 2grm h GLN 241 N 0.64 -1.09 -0.49 3.15 1.08 -0.61 -0.95 115.11 116.84 2grm h GLN 241 Ca 0.16 0.07 0.14 0.00 -1.45 0.00 0.00 58.65 57.58 2grm h GLN 241 Cb 0.17 0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 2grm h GLN 241 CO -0.02 -0.73 0.36 0.82 -0.95 0.00 0.00 178.83 178.32 2grm h ILE 242 N -1.13 0.73 -0.04 2.54 2.04 -1.34 0.73 117.51 121.04 2grm h ILE 242 Ca -0.10 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2grm h ILE 242 Cb 0.90 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 2grm h ILE 242 CO 0.12 0.00 0.01 0.22 0.00 0.00 0.00 178.15 178.50 2grm h TYR 243 N 0.00 0.07 0.00 1.37 3.20 -0.21 -1.26 116.97 120.14 2grm h TYR 243 Ca 0.24 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 2grm h TYR 243 Cb 0.96 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.20 2grm h TYR 243 CO 0.00 0.26 -0.11 1.96 -1.64 0.00 0.00 178.16 178.63 2grm h GLN 244 N -0.14 0.00 -0.17 1.82 4.20 0.39 -1.40 115.11 119.81 2grm h GLN 244 Ca 0.01 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 2grm h GLN 244 Cb 0.22 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 2grm h GLN 244 CO -0.00 0.11 -0.21 0.35 -0.67 0.00 0.00 178.83 178.41 2grm h PHE 245 N 0.00 0.54 0.00 2.96 3.57 -0.79 -1.19 116.94 122.03 2grm h PHE 245 Ca -0.00 -0.17 -0.06 0.00 3.53 0.00 0.00 57.97 61.26 2grm h PHE 245 Cb 0.20 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2grm h PHE 245 CO 0.00 0.84 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.56 2grm h LEU 246 N 0.08 0.00 0.13 0.59 3.38 -0.78 0.18 115.31 118.89 2grm h LEU 246 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2grm h LEU 246 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2grm h LEU 246 CO 0.05 0.29 -0.06 0.74 0.09 0.00 0.00 178.44 179.55 2grm h THR 247 N 0.00 0.00 -0.38 0.22 2.02 -1.14 -3.40 112.91 110.23 2grm h THR 247 Ca -0.00 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 2grm h THR 247 Cb 0.55 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 2grm h THR 247 CO 0.04 0.00 0.02 0.47 0.37 0.00 0.00 175.52 176.42 2grm n ASP 248 N -3.55 4.26 -2.85 4.18 8.00 -0.46 -4.95 116.55 121.18 2grm n ASP 248 Ca -0.02 -3.09 -0.08 0.00 0.71 0.00 0.00 54.79 52.31 2grm n ASP 248 Cb 0.07 -0.60 -0.01 0.00 -0.02 0.00 0.00 41.12 40.55 2grm n ASP 248 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2grm n LYS 249 N -0.30 -2.61 -2.43 -1.24 4.76 0.63 -4.84 118.16 112.13 2grm n LYS 249 Ca 0.26 0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 55.32 2grm n LYS 249 Cb 1.02 -4.56 -0.03 0.00 -1.84 0.00 0.00 35.03 29.62 2grm n LYS 249 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2grm s ASN 250 N -2.22 7.09 0.15 4.39 3.84 -1.25 -4.95 114.94 121.98 2grm s ASN 250 Ca 0.14 2.02 -0.04 0.00 0.21 0.00 0.00 52.86 55.20 2grm s ASN 250 Cb -0.08 -2.58 -0.04 0.00 -0.55 0.00 0.00 41.25 38.00 2grm s ASN 250 CO 0.18 -0.45 1.36 -0.29 -2.79 0.00 0.00 177.10 175.10 2grm h ILE 251 N 4.45 1.38 -0.35 -5.21 2.10 -1.95 -3.23 117.51 114.71 2grm h ILE 251 Ca -0.42 -2.27 0.07 0.00 1.08 0.00 0.00 64.86 63.32 2grm h ILE 251 Cb 1.21 2.25 -0.07 0.00 -1.09 0.00 0.00 36.82 39.12 2grm h ILE 251 CO 0.80 0.68 -0.10 0.44 -1.08 0.00 0.00 178.15 178.89 2grm h ASP 252 N 0.28 -0.37 -0.85 2.19 3.45 -2.00 -0.38 116.42 118.74 2grm h ASP 252 Ca -0.06 0.11 0.10 0.00 0.43 0.00 0.00 57.03 57.61 2grm h ASP 252 Cb 1.45 0.24 -0.07 0.00 -0.56 0.00 0.00 39.33 40.38 2grm h ASP 252 CO 0.15 -0.13 0.49 0.28 -1.57 0.00 0.00 179.24 178.45 2grm h SER 253 N -0.02 0.71 -0.53 6.45 0.02 -1.90 0.31 113.55 118.58 2grm h SER 253 Ca 0.17 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 2grm h SER 253 Cb 0.28 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 2grm h SER 253 CO -0.37 0.40 0.26 0.22 -1.14 0.00 0.00 176.83 176.20 2grm h TYR 254 N 0.82 0.76 0.03 3.45 5.03 -1.21 -1.07 116.97 124.78 2grm h TYR 254 Ca 0.41 -0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.68 2grm h TYR 254 Cb 0.37 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.42 2grm h TYR 254 CO -0.05 0.59 -0.01 -0.07 -1.32 0.00 0.00 178.16 177.30 2grm h LEU 255 N 0.71 -0.03 -0.67 2.82 3.38 0.27 -1.57 115.31 120.22 2grm h LEU 255 Ca 0.18 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.26 2grm h LEU 255 Cb 0.12 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 2grm h LEU 255 CO -0.02 -0.02 0.27 0.78 0.09 0.00 0.00 178.44 179.54 2grm h ASN 256 N -0.05 0.27 -0.62 -0.43 -0.26 -0.72 0.48 115.58 114.26 2grm h ASN 256 Ca -0.00 0.09 0.05 0.00 -0.56 0.00 0.00 56.30 55.87 2grm h ASN 256 Cb 0.04 0.06 -0.05 0.00 -1.06 0.00 0.00 38.32 37.31 2grm h ASN 256 CO 0.01 0.14 0.34 0.00 -1.06 0.00 0.00 177.43 176.86 2grm h ALA 257 N 1.47 0.81 -0.51 -0.83 0.00 -0.74 0.23 119.26 119.69 2grm h ALA 257 Ca 0.35 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 2grm h ALA 257 Cb 0.46 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2grm h ALA 257 CO -0.34 0.03 -0.07 0.28 0.00 0.00 0.00 179.25 179.15 2grm h VAL 258 N 0.65 1.26 -0.53 0.00 2.07 -0.04 -2.09 116.25 117.57 2grm h VAL 258 Ca 0.27 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 2grm h VAL 258 Cb 0.14 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2grm h VAL 258 CO -0.16 0.41 0.18 -1.13 0.02 0.00 0.00 177.57 176.90 2grm h ASN 259 N 0.84 0.75 0.27 0.57 -0.00 0.94 -1.54 115.58 117.41 2grm h ASN 259 Ca 0.14 -0.19 -0.00 0.00 -0.00 0.00 0.00 56.30 56.25 2grm h ASN 259 Cb 0.59 -0.20 -0.01 0.00 -0.00 0.00 0.00 38.32 38.70 2grm h ASN 259 CO 0.04 0.74 -0.21 0.40 -0.00 0.00 0.00 177.43 178.40 2grm h ILE 260 N 0.72 0.55 -1.05 2.57 1.08 -0.34 -0.95 117.51 120.09 2grm h ILE 260 Ca 0.17 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.91 2grm h ILE 260 Cb 0.25 0.55 -0.10 0.00 -3.07 0.00 0.00 36.82 34.45 2grm h ILE 260 CO -0.01 0.00 0.67 0.40 -0.69 0.00 0.00 178.15 178.52 2grm h ILE 261 N -0.49 0.51 -0.02 -0.67 2.04 -1.14 0.11 117.51 117.85 2grm h ILE 261 Ca -0.02 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 2grm h ILE 261 Cb 0.43 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2grm h ILE 261 CO -0.01 0.07 0.01 -1.13 0.00 0.00 0.00 178.15 177.09 2grm h ASN 262 N 0.40 0.03 -1.00 1.72 -1.24 -0.16 -3.02 115.58 112.30 2grm h ASN 262 Ca 0.61 -0.18 0.21 0.00 0.71 0.00 0.00 56.30 57.65 2grm h ASN 262 Cb 1.52 -0.01 -0.11 0.00 0.73 0.00 0.00 38.32 40.46 2grm h ASN 262 CO -0.32 0.20 0.61 0.40 -1.29 0.00 0.00 177.43 177.03 2grm h ILE 263 N -0.14 0.66 0.00 2.57 1.08 0.07 0.32 117.51 122.07 2grm h ILE 263 Ca 0.01 -0.24 -0.01 0.00 -0.39 0.00 0.00 64.86 64.23 2grm h ILE 263 Cb 0.18 -0.10 -0.00 0.00 -3.07 0.00 0.00 36.82 33.83 2grm h ILE 263 CO -0.00 0.13 -0.04 -0.26 -0.69 0.00 0.00 178.15 177.28 2grm h PHE 264 N 0.69 0.00 0.06 1.37 0.04 -1.35 -0.10 116.94 117.66 2grm h PHE 264 Ca 0.59 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 61.15 2grm h PHE 264 Cb 1.01 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.18 2grm h PHE 264 CO -0.00 0.04 -0.86 -0.22 -0.60 0.00 0.00 178.31 176.66 2grm h LYS 265 N 0.00 0.48 -0.97 1.51 3.64 -0.41 0.22 116.57 121.04 2grm h LYS 265 Ca -0.00 -0.60 0.01 0.00 -1.27 0.00 0.00 60.65 58.79 2grm h LYS 265 Cb 0.08 0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 2grm h LYS 265 CO 0.01 1.23 0.64 0.82 -2.27 0.00 0.00 179.45 179.88 2grm h ILE 266 N -0.01 1.25 -0.01 2.00 1.08 -0.49 -2.56 117.51 118.77 2grm h ILE 266 Ca -0.13 -0.45 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 2grm h ILE 266 Cb 1.58 -0.18 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 2grm h ILE 266 CO 0.17 0.24 -0.03 2.30 -0.69 0.00 0.00 178.15 180.14 2grm n ILE 267 N -4.39 0.00 -0.20 -0.67 -5.35 -0.14 -4.95 119.36 103.65 2grm n ILE 267 Ca 0.11 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 2grm n ILE 267 Cb 0.01 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.17 2grm n ILE 267 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2grm n GLY 268 N 1.16 0.61 3.37 3.28 0.00 -0.97 -5.00 105.19 107.65 2grm n GLY 268 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2grm n GLY 268 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2grm n LYS 269 N -2.00 2.25 -0.00 1.61 4.76 0.06 -4.82 118.16 120.02 2grm n LYS 269 Ca 0.00 -2.63 -0.11 0.00 -2.87 0.00 0.00 58.31 52.70 2grm n LYS 269 Cb 0.00 -3.45 -0.07 0.00 -1.84 0.00 0.00 35.03 29.67 2grm n LYS 269 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2grm h GLU 270 N 8.19 -0.43 -0.69 1.97 4.39 -1.92 -1.65 114.58 124.44 2grm h GLU 270 Ca 0.38 0.03 0.01 0.00 0.34 0.00 0.00 59.36 60.12 2grm h GLU 270 Cb 0.83 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.54 2grm h GLU 270 CO 1.53 -0.29 0.45 -0.44 -1.16 0.00 0.00 179.01 179.11 2grm h ASP 271 N -0.44 0.78 -0.95 1.42 3.32 -1.96 -1.33 116.42 117.26 2grm h ASP 271 Ca 0.02 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.08 2grm h ASP 271 Cb 0.51 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 2grm h ASP 271 CO -0.32 0.56 0.63 0.40 -1.72 0.00 0.00 179.24 178.79 2grm h ILE 272 N 0.93 1.21 0.38 0.35 1.08 -1.91 0.30 117.51 119.84 2grm h ILE 272 Ca 0.26 -0.43 -0.02 0.00 -0.39 0.00 0.00 64.86 64.28 2grm h ILE 272 Cb -0.09 -0.15 0.00 0.00 -3.07 0.00 0.00 36.82 33.51 2grm h ILE 272 CO -0.06 0.23 -0.18 -0.74 -0.69 0.00 0.00 178.15 176.70 2grm h HIS 273 N 1.24 -0.47 -0.63 1.37 2.76 -0.82 0.05 115.15 118.66 2grm h HIS 273 Ca 0.36 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.65 2grm h HIS 273 Cb -0.07 0.16 -0.10 0.00 1.55 0.00 0.00 27.41 28.94 2grm h HIS 273 CO -0.00 -0.16 0.05 -0.09 -1.30 0.00 0.00 177.93 176.43 2grm h ARG 274 N -0.77 0.16 0.57 5.26 2.43 -0.93 -0.72 114.38 120.37 2grm h ARG 274 Ca -0.05 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 2grm h ARG 274 Cb 0.52 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2grm h ARG 274 CO 0.09 0.10 -0.40 1.03 -1.51 0.00 0.00 179.97 179.27 2grm h SER 275 N 0.16 -1.05 0.39 -3.80 0.87 -0.22 -2.53 113.55 107.38 2grm h SER 275 Ca 0.33 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.95 2grm h SER 275 Cb 0.54 0.32 -0.00 0.00 -0.44 0.00 0.00 62.40 62.82 2grm h SER 275 CO -0.50 -0.60 -0.08 -0.07 -0.53 0.00 0.00 176.83 175.05 2grm h LEU 276 N -0.94 0.00 0.20 2.23 3.38 -0.52 -1.79 115.31 117.87 2grm h LEU 276 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2grm h LEU 276 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2grm h LEU 276 CO 0.03 0.08 -0.10 0.58 0.09 0.00 0.00 178.44 179.12 2grm h VAL 277 N 0.00 0.72 -0.02 1.22 2.07 -0.99 -0.26 116.25 118.98 2grm h VAL 277 Ca -0.00 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.51 2grm h VAL 277 Cb 0.30 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2grm h VAL 277 CO 0.01 0.18 0.05 -0.33 0.02 0.00 0.00 177.57 177.50 2grm h GLU 278 N -0.89 0.00 0.01 1.57 5.08 -1.30 0.06 114.58 119.11 2grm h GLU 278 Ca -0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2grm h GLU 278 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2grm h GLU 278 CO 0.05 0.00 -0.19 1.49 -1.00 0.00 0.00 179.01 179.36 2grm h GLU 279 N 0.00 0.03 0.00 2.33 4.81 -1.21 -3.03 114.58 117.51 2grm h GLU 279 Ca 0.01 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2grm h GLU 279 Cb 0.11 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2grm h GLU 279 CO -0.00 1.02 -0.19 1.25 -0.73 0.00 0.00 179.01 180.37 2grm h LEU 280 N -0.94 0.00 0.88 1.64 5.85 -0.35 -1.68 115.31 120.72 2grm h LEU 280 Ca -0.04 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 2grm h LEU 280 Cb 1.09 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.13 2grm h LEU 280 CO -0.00 0.19 -0.42 0.74 -0.34 0.00 0.00 178.44 178.60 2grm h THR 281 N 0.00 0.03 -0.30 1.05 2.02 -1.09 -1.38 112.91 113.24 2grm h THR 281 Ca -0.00 -0.11 0.06 0.00 0.77 0.00 0.00 66.41 67.12 2grm h THR 281 Cb 0.34 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 66.73 2grm h THR 281 CO 0.02 0.00 -0.08 0.11 0.37 0.00 0.00 175.52 175.95 2grm h LYS 282 N -1.30 -0.01 -0.44 6.66 1.57 -1.38 0.16 116.57 121.84 2grm h LYS 282 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2grm h LYS 282 Cb 0.91 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 2grm h LYS 282 CO 0.20 -0.01 0.28 0.97 -0.57 0.00 0.00 179.45 180.32 2grm h ILE 283 N -0.01 1.12 -0.28 1.86 -0.00 -1.34 -1.76 117.51 117.10 2grm h ILE 283 Ca 0.14 -0.24 -0.19 0.00 -0.00 0.00 0.00 64.86 64.57 2grm h ILE 283 Cb 0.23 0.49 0.00 0.00 -0.00 0.00 0.00 36.82 37.54 2grm h ILE 283 CO -0.31 0.12 -0.57 0.28 -0.00 0.00 0.00 178.15 177.67 2grm h SER 284 N 0.60 0.99 0.63 2.19 0.02 -0.16 -2.96 113.55 114.85 2grm h SER 284 Ca 0.16 -0.54 -0.02 0.00 -0.84 0.00 0.00 61.79 60.54 2grm h SER 284 Cb -0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 2grm h SER 284 CO -0.03 1.35 -0.47 0.00 -1.14 0.00 0.00 176.83 176.53 2grm h ALA 285 N 0.67 -1.14 0.00 3.77 0.00 -0.29 -0.15 119.26 122.12 2grm h ALA 285 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2grm h ALA 285 Cb 1.19 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2grm h ALA 285 CO 0.13 -1.17 0.12 1.63 0.00 0.00 0.00 179.25 179.96 2grm n LYS 286 N -5.58 0.00 -0.07 0.00 5.02 -0.73 -0.16 118.16 116.64 2grm n LYS 286 Ca -0.13 0.36 0.06 0.00 -2.02 0.00 0.00 58.31 56.59 2grm n LYS 286 Cb 0.47 -1.62 0.10 0.00 -0.02 0.00 0.00 35.03 33.95 2grm n LYS 286 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2grm n GLU 287 N -1.36 1.52 -3.10 1.97 -0.58 -0.19 -4.99 120.64 113.91 2grm n GLU 287 Ca 0.00 -1.58 -0.14 0.00 -0.42 0.00 0.00 57.16 55.03 2grm n GLU 287 Cb 0.12 -1.27 0.06 0.00 -0.57 0.00 0.00 31.44 29.78 2grm n GLU 287 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2grm n LYS 288 N 0.71 -4.98 -4.28 3.49 4.76 0.77 -5.04 118.16 113.59 2grm n LYS 288 Ca 0.10 0.59 -0.15 0.00 -2.87 0.00 0.00 58.31 55.97 2grm n LYS 288 Cb 0.37 -4.86 -0.10 0.00 -1.84 0.00 0.00 35.03 28.59 2grm n LYS 288 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2grm s PHE 289 N -3.24 1.38 -0.31 2.13 0.40 -0.47 -5.03 117.98 112.84 2grm s PHE 289 Ca 0.15 -0.96 -0.00 0.00 -0.60 0.00 0.00 56.93 55.52 2grm s PHE 289 Cb -0.06 -0.79 0.10 0.00 0.51 0.00 0.00 43.02 42.78 2grm s PHE 289 CO 0.51 -0.11 0.08 0.99 0.70 0.00 0.00 175.22 177.39 2grm s THR 290 N -3.53 1.05 0.87 0.64 2.01 -1.26 -4.18 115.64 111.25 2grm s THR 290 Ca 0.26 -1.47 -0.15 0.00 0.31 0.00 0.00 61.69 60.64 2grm s THR 290 Cb 0.06 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 2grm s THR 290 CO 0.06 -0.63 0.21 -0.81 -0.69 0.00 0.00 174.62 172.76 2grm n PRO 291 N 4.78 -0.05 -0.89 4.92 -0.04 -1.26 -4.90 135.00 137.56 2grm n PRO 291 Ca -0.02 0.02 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 2grm n PRO 291 Cb 0.42 -1.66 0.08 0.00 -0.04 0.00 0.00 33.50 32.30 2grm n PRO 291 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2grm n PRO 292 N -0.54 -0.39 0.00 0.54 -0.02 -1.26 -4.63 135.00 128.69 2grm n PRO 292 Ca 0.06 -0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 2grm n PRO 292 Cb 0.53 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 2grm n PRO 292 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2grm n LYS 293 N 0.57 0.00 0.00 -0.52 2.85 -1.26 -5.21 118.16 114.59 2grm n LYS 293 Ca 0.01 0.04 0.16 0.00 -1.05 0.00 0.00 58.31 57.47 2grm n LYS 293 Cb 0.61 -1.53 0.94 0.00 -0.65 0.00 0.00 35.03 34.41 2grm n LYS 293 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74