#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3grh s PHE -3 N 0.00 3.56 -0.19 -0.72 -0.12 -1.26 -5.02 117.98 114.23 3grh s PHE -3 Ca 0.00 0.99 -0.26 0.00 -0.05 0.00 0.00 56.93 57.61 3grh s PHE -3 Cb 0.00 -2.44 -0.01 0.00 -0.63 0.00 0.00 43.02 39.94 3grh s PHE -3 CO 0.00 -0.34 0.90 1.14 -0.05 0.00 0.00 175.22 176.87 3grh s GLN -2 N -4.64 4.28 0.32 1.99 -2.07 -1.26 -5.01 119.66 113.26 3grh s GLN -2 Ca 0.50 1.13 -0.27 0.00 -1.82 0.00 0.00 55.36 54.90 3grh s GLN -2 Cb -0.10 -3.60 -0.13 0.00 -1.09 0.00 0.00 33.01 28.08 3grh s GLN -2 CO 0.44 -0.44 0.96 0.45 -1.32 0.00 0.00 175.29 175.38 3grh n SER -1 N 5.64 1.08 -0.46 12.60 2.88 -1.26 -4.89 113.62 129.20 3grh n SER -1 Ca 0.07 1.13 0.11 0.00 -1.33 0.00 0.00 58.87 58.85 3grh n SER -1 Cb 0.48 -1.28 0.44 0.00 -0.75 0.00 0.00 64.21 63.10 3grh n SER -1 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 3grh n MET 0 N 0.61 1.61 -2.02 -1.46 0.00 -1.26 -4.93 117.12 109.68 3grh n MET 0 Ca 0.10 -0.91 -0.41 0.00 0.00 0.00 0.00 57.70 56.48 3grh n MET 0 Cb 0.34 -1.40 -0.02 0.00 0.00 0.00 0.00 33.22 32.13 3grh n MET 0 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 3grh s GLN 1 N -1.86 4.27 -0.31 0.03 0.74 -1.26 -4.97 119.66 116.31 3grh s GLN 1 Ca 0.33 2.31 -0.29 0.00 0.05 0.00 0.00 55.36 57.77 3grh s GLN 1 Cb 0.18 -3.08 0.02 0.00 1.10 0.00 0.00 33.01 31.22 3grh s GLN 1 CO 0.27 -0.37 1.05 1.03 -0.55 0.00 0.00 175.29 176.72 3grh s ARG 2 N -0.91 4.09 0.42 1.67 1.81 -1.26 -5.02 118.95 119.74 3grh s ARG 2 Ca 0.56 1.08 -0.24 0.00 -1.72 0.00 0.00 55.73 55.41 3grh s ARG 2 Cb -0.42 -3.72 -0.09 0.00 -0.45 0.00 0.00 34.95 30.27 3grh s ARG 2 CO 0.48 -0.85 1.08 -1.25 -0.68 0.00 0.00 175.30 174.08 3grh s PRO 3 N 3.54 4.05 0.47 3.54 0.04 -1.26 -4.97 135.00 140.41 3grh s PRO 3 Ca 0.44 1.58 -0.25 0.00 0.04 0.00 0.00 61.00 62.82 3grh s PRO 3 Cb -0.13 -2.50 -0.08 0.00 0.04 0.00 0.00 34.50 31.83 3grh s PRO 3 CO 0.14 -0.25 1.42 0.45 0.04 0.00 0.00 177.00 178.79 3grh s SER 4 N -1.51 5.77 0.00 6.66 0.15 -1.26 -4.88 113.70 118.64 3grh s SER 4 Ca 0.59 2.90 0.13 0.00 0.70 0.00 0.00 55.95 60.27 3grh s SER 4 Cb -0.24 -2.65 0.42 0.00 -1.71 0.00 0.00 66.02 61.84 3grh s SER 4 CO 0.29 -1.24 1.32 -0.67 1.20 0.00 0.00 173.24 174.15 3grh n ASP 5 N -0.33 1.75 -4.64 5.45 -0.08 -1.26 -4.86 116.55 112.57 3grh n ASP 5 Ca 0.06 -1.92 -0.42 0.00 -1.51 0.00 0.00 54.79 51.00 3grh n ASP 5 Cb 0.42 -0.19 -0.04 0.00 2.34 0.00 0.00 41.12 43.65 3grh n ASP 5 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 3grh s GLN 6 N -1.61 4.19 -0.09 -0.67 -0.21 -1.26 -5.03 119.66 114.98 3grh s GLN 6 Ca 0.25 0.94 0.03 0.00 0.02 0.00 0.00 55.36 56.60 3grh s GLN 6 Cb 0.13 -3.64 0.01 0.00 1.00 0.00 0.00 33.01 30.51 3grh s GLN 6 CO 0.18 -0.50 -0.18 0.95 -2.12 0.00 0.00 175.29 173.62 3grh s THR 7 N 2.78 1.61 0.47 -0.19 -4.23 -1.26 -4.68 115.64 110.14 3grh s THR 7 Ca 0.35 -0.75 -0.23 0.00 -1.18 0.00 0.00 61.69 59.88 3grh s THR 7 Cb -0.15 -1.43 -0.07 0.00 1.34 0.00 0.00 72.50 72.19 3grh s THR 7 CO 0.08 0.46 1.24 0.00 -0.54 0.00 0.00 174.62 175.86 3grh s ALA 8 N 0.57 2.99 -2.45 3.99 0.00 -1.26 -2.32 121.76 123.29 3grh s ALA 8 Ca -0.15 1.10 0.25 0.00 0.00 0.00 0.00 51.96 53.15 3grh s ALA 8 Cb -0.17 -3.45 0.84 0.00 0.00 0.00 0.00 23.12 20.34 3grh s ALA 8 CO 0.05 -0.87 1.62 -0.35 0.00 0.00 0.00 175.76 176.20 3grh n PRO 9 N -0.49 1.79 0.00 0.00 -0.04 -1.26 -5.00 135.00 129.99 3grh n PRO 9 Ca 0.07 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 3grh n PRO 9 Cb 0.46 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 3grh n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3grh n GLY 10 N 1.19 -0.56 3.61 0.55 0.00 -0.98 -1.46 105.19 107.54 3grh n GLY 10 Ca 0.18 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 44.74 3grh n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3grh s THR 11 N 0.00 2.01 0.53 2.61 -4.23 -0.79 -4.89 115.64 110.89 3grh s THR 11 Ca 0.00 -2.03 0.22 0.00 -1.18 0.00 0.00 61.69 58.70 3grh s THR 11 Cb 0.00 -2.95 0.33 0.00 1.34 0.00 0.00 72.50 71.23 3grh s THR 11 CO 0.00 -0.03 2.08 0.28 -0.54 0.00 0.00 174.62 176.41 3grh h SER 12 N 1.81 0.00 1.36 3.99 0.02 -1.93 -1.89 113.55 116.91 3grh h SER 12 Ca -0.44 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.47 3grh h SER 12 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 3grh h SER 12 CO 0.79 0.00 -0.66 0.28 -1.14 0.00 0.00 176.83 176.10 3grh h SER 13 N 0.00 0.00 -1.51 3.07 0.02 -1.87 -1.64 113.55 111.61 3grh h SER 13 Ca 0.11 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.70 3grh h SER 13 Cb 0.48 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.75 3grh h SER 13 CO -0.00 0.18 -0.73 -1.14 -1.14 0.00 0.00 176.83 174.00 3grh n ARG 14 N -2.94 0.44 -2.48 3.45 0.63 -0.75 -4.31 116.66 110.70 3grh n ARG 14 Ca 0.00 -2.55 -0.39 0.00 -0.92 0.00 0.00 57.85 53.99 3grh n ARG 14 Cb 0.62 -1.52 -0.04 0.00 0.45 0.00 0.00 32.46 31.97 3grh n ARG 14 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3grh s PRO 15 N 0.35 4.49 -0.10 -0.14 0.05 -0.97 -1.89 135.00 136.79 3grh s PRO 15 Ca 0.32 1.73 0.02 0.00 0.05 0.00 0.00 61.00 63.12 3grh s PRO 15 Cb 0.05 -3.00 0.01 0.00 0.05 0.00 0.00 34.50 31.62 3grh s PRO 15 CO -0.13 0.10 -0.18 0.42 0.05 0.00 0.00 177.00 177.25 3grh s ILE 16 N -1.30 1.66 0.37 0.56 -1.09 -0.54 -2.54 121.20 118.32 3grh s ILE 16 Ca 0.48 -0.76 -0.26 0.00 -2.23 0.00 0.00 60.65 57.89 3grh s ILE 16 Cb -0.29 -1.48 -0.09 0.00 -1.58 0.00 0.00 42.46 39.02 3grh s ILE 16 CO 0.37 0.47 1.08 -0.76 -1.23 0.00 0.00 174.94 174.88 3grh s LEU 17 N 0.74 4.25 0.79 2.97 1.43 -0.32 -4.18 118.68 124.37 3grh s LEU 17 Ca -0.11 2.14 -0.11 0.00 -1.03 0.00 0.00 54.13 55.02 3grh s LEU 17 Cb -0.16 -4.02 0.06 0.00 0.03 0.00 0.00 46.19 42.11 3grh s LEU 17 CO 0.02 -0.43 1.09 -0.94 0.23 0.00 0.00 176.35 176.31 3grh s SER 18 N -1.32 4.56 0.27 2.29 1.04 -1.26 -4.43 113.70 114.83 3grh s SER 18 Ca 0.54 1.44 -0.02 0.00 0.48 0.00 0.00 55.95 58.39 3grh s SER 18 Cb -0.26 -2.20 0.43 0.00 0.10 0.00 0.00 66.02 64.09 3grh s SER 18 CO 0.33 -1.95 1.87 0.00 0.98 0.00 0.00 173.24 174.47 3grh h ALA 19 N -1.07 1.39 -0.30 5.32 0.00 -1.98 -0.10 119.26 122.52 3grh h ALA 19 Ca -0.46 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3grh h ALA 19 Cb 1.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3grh h ALA 19 CO 0.57 0.38 0.07 -0.22 0.00 0.00 0.00 179.25 180.05 3grh h LYS 20 N 1.11 0.49 -0.84 0.00 1.63 -2.01 -2.23 116.57 114.72 3grh h LYS 20 Ca 0.44 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 60.10 3grh h LYS 20 Cb 0.24 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.76 3grh h LYS 20 CO -0.19 0.57 0.45 0.93 -3.45 0.00 0.00 179.45 177.75 3grh h GLU 21 N 0.32 1.18 0.00 1.90 5.08 -1.82 -2.97 114.58 118.27 3grh h GLU 21 Ca 0.09 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3grh h GLU 21 Cb 0.30 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3grh h GLU 21 CO 0.00 0.87 0.00 0.00 -1.00 0.00 0.00 179.01 178.89 3grh h ALA 22 N 1.31 1.00 0.00 3.43 0.00 -0.44 -2.70 119.26 121.85 3grh h ALA 22 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3grh h ALA 22 Cb 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3grh h ALA 22 CO -0.05 0.00 -0.05 1.96 0.00 0.00 0.00 179.25 181.11 3grh h GLN 23 N 0.00 0.00 -0.00 0.00 4.20 -1.28 -1.52 115.11 116.51 3grh h GLN 23 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3grh h GLN 23 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3grh h GLN 23 CO 0.00 0.05 -0.01 0.09 -0.67 0.00 0.00 178.83 178.29 3grh n ASN 24 N -3.54 0.08 -2.98 1.46 3.02 -1.02 -4.38 115.26 107.90 3grh n ASN 24 Ca -0.02 -0.53 -0.26 0.00 -0.03 0.00 0.00 54.58 53.74 3grh n ASN 24 Cb 0.17 -0.15 -0.04 0.00 -0.61 0.00 0.00 39.78 39.14 3grh n ASN 24 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3grh n PHE 25 N -1.12 3.60 -4.50 3.10 3.72 -0.57 -4.78 117.46 116.91 3grh n PHE 25 Ca 0.18 -3.98 -0.24 0.00 -0.05 0.00 0.00 57.45 53.36 3grh n PHE 25 Cb 0.20 -0.48 -0.10 0.00 -0.94 0.00 0.00 39.48 38.16 3grh n PHE 25 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 3grh s ASP 26 N -3.33 2.75 0.36 4.37 -4.77 -1.26 -5.03 116.67 109.76 3grh s ASP 26 Ca 0.48 -1.44 0.04 0.00 -3.30 0.00 0.00 52.55 48.32 3grh s ASP 26 Cb 0.28 0.00 0.68 0.00 -1.09 0.00 0.00 42.92 42.80 3grh s ASP 26 CO -0.13 -0.65 2.00 0.00 0.70 0.00 0.00 175.17 177.09 3grh h ALA 27 N 1.97 1.60 0.00 2.11 0.00 -1.97 -1.10 119.26 121.87 3grh h ALA 27 Ca -0.41 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3grh h ALA 27 Cb 1.25 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 3grh h ALA 27 CO 0.70 0.35 -0.16 -0.56 0.00 0.00 0.00 179.25 179.57 3grh h GLN 28 N 0.81 0.00 0.14 0.00 3.07 -1.95 -0.24 115.11 116.93 3grh h GLN 28 Ca 0.25 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.69 3grh h GLN 28 Cb -0.01 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.58 3grh h GLN 28 CO -0.06 0.16 -1.26 0.45 0.09 0.00 0.00 178.83 178.21 3grh h HIS 29 N 0.00 0.83 0.00 0.06 3.86 -1.53 -2.99 115.15 115.38 3grh h HIS 29 Ca -0.00 -0.55 -0.04 0.00 -1.16 0.00 0.00 60.37 58.62 3grh h HIS 29 Cb 0.29 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 3grh h HIS 29 CO 0.00 1.41 -0.19 1.88 0.86 0.00 0.00 177.93 181.89 3grh h TYR 30 N 0.19 0.00 -0.55 2.45 -1.99 -0.74 -2.87 116.97 113.46 3grh h TYR 30 Ca -0.18 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.55 3grh h TYR 30 Cb 1.95 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.68 3grh h TYR 30 CO 0.10 0.19 0.00 1.19 -0.00 0.00 0.00 178.16 179.64 3grh n PHE 31 N -3.75 1.09 -1.71 4.88 3.72 -0.16 -4.87 117.46 116.66 3grh n PHE 31 Ca -0.02 -0.60 -0.39 0.00 -0.05 0.00 0.00 57.45 56.39 3grh n PHE 31 Cb 0.30 -0.16 0.03 0.00 -0.94 0.00 0.00 39.48 38.71 3grh n PHE 31 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3grh n ALA 32 N 0.87 1.23 -1.55 4.37 0.00 -1.09 -1.64 120.51 122.70 3grh n ALA 32 Ca 0.22 0.16 -0.29 0.00 0.00 0.00 0.00 53.44 53.52 3grh n ALA 32 Cb 0.74 -2.28 0.15 0.00 0.00 0.00 0.00 19.45 18.05 3grh n ALA 32 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3grh s SER 33 N -0.83 3.30 -0.17 0.00 1.04 -1.26 -4.82 113.70 110.97 3grh s SER 33 Ca 0.68 0.86 0.13 0.00 0.48 0.00 0.00 55.95 58.11 3grh s SER 33 Cb -0.45 -1.35 -0.20 0.00 0.10 0.00 0.00 66.02 64.12 3grh s SER 33 CO 0.52 -2.67 0.03 -0.11 0.98 0.00 0.00 173.24 171.99 3grh n LEU 34 N -3.83 0.29 -4.70 2.42 7.94 -1.26 -4.96 117.00 112.90 3grh n LEU 34 Ca 0.08 -0.01 -0.38 0.00 -1.11 0.00 0.00 56.01 54.59 3grh n LEU 34 Cb 0.59 0.30 0.06 0.00 0.53 0.00 0.00 43.42 44.90 3grh n LEU 34 CO 0.55 0.45 0.81 0.41 -1.11 0.00 0.00 177.39 178.51 3grh n THR 35 N -2.66 4.22 -1.80 1.96 -1.04 -1.26 -5.04 114.28 108.65 3grh n THR 35 Ca -0.28 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 60.93 3grh n THR 35 Cb 1.03 -1.43 0.05 0.00 -1.82 0.00 0.00 70.33 68.16 3grh n THR 35 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3grh s PRO 36 N -3.02 2.72 0.00 -2.82 0.02 -1.26 -4.04 135.00 126.60 3grh s PRO 36 Ca 0.77 0.52 0.00 0.00 0.02 0.00 0.00 61.00 62.31 3grh s PRO 36 Cb -0.41 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.11 3grh s PRO 36 CO 0.45 -1.15 0.00 0.41 -0.33 0.00 0.00 177.00 176.38 3grh n GLY 37 N -2.78 0.37 3.12 0.52 0.00 -1.26 -5.00 105.19 100.15 3grh n GLY 37 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3grh n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3grh s ALA 38 N -1.87 2.09 0.58 4.61 0.00 -1.26 -5.12 121.76 120.80 3grh s ALA 38 Ca 0.00 -1.01 -0.16 0.00 0.00 0.00 0.00 51.96 50.79 3grh s ALA 38 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 3grh s ALA 38 CO 0.00 -0.14 1.06 0.00 0.00 0.00 0.00 175.76 176.67 3grh s ALA 39 N 1.03 2.76 0.80 0.00 0.00 -1.26 -4.54 121.76 120.54 3grh s ALA 39 Ca -0.03 0.41 -0.13 0.00 0.00 0.00 0.00 51.96 52.21 3grh s ALA 39 Cb -0.15 -3.23 0.08 0.00 0.00 0.00 0.00 23.12 19.82 3grh s ALA 39 CO -0.05 -0.76 1.17 0.00 0.00 0.00 0.00 175.76 176.12 3grh s ALA 40 N -2.42 1.91 0.09 0.00 0.00 -1.26 -4.24 121.76 115.84 3grh s ALA 40 Ca 0.64 0.72 -0.31 0.00 0.00 0.00 0.00 51.96 53.00 3grh s ALA 40 Cb -0.16 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.44 3grh s ALA 40 CO 0.35 -2.18 1.41 -0.46 0.00 0.00 0.00 175.76 174.88 3grh s TRP 41 N -2.31 3.12 -0.52 0.00 -0.00 -0.65 -4.91 118.94 113.67 3grh s TRP 41 Ca 0.70 0.89 0.04 0.00 -0.00 0.00 0.00 56.10 57.73 3grh s TRP 41 Cb -0.26 -3.69 0.16 0.00 -0.00 0.00 0.00 33.47 29.68 3grh s TRP 41 CO 0.51 -2.48 0.38 1.21 -0.00 0.00 0.00 176.95 176.56 3grh s ASN 42 N 1.33 3.02 0.44 5.86 2.47 -1.26 -4.85 114.94 121.94 3grh s ASN 42 Ca 0.65 -3.26 -0.24 0.00 0.42 0.00 0.00 52.86 50.44 3grh s ASN 42 Cb -0.36 -0.95 -0.08 0.00 -1.45 0.00 0.00 41.25 38.41 3grh s ASN 42 CO 0.30 -0.16 1.16 -2.16 -3.72 0.00 0.00 177.10 172.52 3grh s PRO 43 N -0.41 3.87 0.44 0.43 0.04 -1.26 -4.99 135.00 133.12 3grh s PRO 43 Ca 0.27 1.78 -0.12 0.00 0.04 0.00 0.00 61.00 62.97 3grh s PRO 43 Cb -0.04 -2.50 -0.07 0.00 0.04 0.00 0.00 34.50 31.94 3grh s PRO 43 CO -0.15 -0.46 0.83 -1.54 0.04 0.00 0.00 177.00 175.72 3grh s SER 44 N -1.30 6.53 0.77 6.66 1.04 -1.26 -5.03 113.70 121.11 3grh s SER 44 Ca 0.61 1.24 -0.14 0.00 0.48 0.00 0.00 55.95 58.14 3grh s SER 44 Cb -0.29 -2.37 0.06 0.00 0.10 0.00 0.00 66.02 63.52 3grh s SER 44 CO 0.35 -0.46 1.22 -2.84 0.98 0.00 0.00 173.24 172.50 3grh s PRO 45 N -3.96 1.83 0.26 4.02 0.02 -1.26 -4.90 135.00 131.00 3grh s PRO 45 Ca 0.53 1.82 -0.31 0.00 0.02 0.00 0.00 61.00 63.06 3grh s PRO 45 Cb -0.10 -1.79 -0.12 0.00 0.02 0.00 0.00 34.50 32.51 3grh s PRO 45 CO 0.32 -2.08 1.57 -0.89 -0.33 0.00 0.00 177.00 175.59 3grh n ILE 46 N -3.00 0.78 -4.38 2.83 5.41 -1.26 -4.98 119.36 114.75 3grh n ILE 46 Ca 0.14 -0.19 -0.29 0.00 1.00 0.00 0.00 62.75 63.40 3grh n ILE 46 Cb 0.50 -1.83 -0.17 0.00 -0.71 0.00 0.00 39.64 37.44 3grh n ILE 46 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3grh s THR 47 N 0.23 1.58 0.13 1.39 2.01 -1.26 -5.12 115.64 114.60 3grh s THR 47 Ca 0.68 -0.68 -0.10 0.00 0.31 0.00 0.00 61.69 61.89 3grh s THR 47 Cb -0.54 -1.45 -0.06 0.00 0.01 0.00 0.00 72.50 70.45 3grh s THR 47 CO 0.45 0.46 0.46 -0.76 -0.69 0.00 0.00 174.62 174.55 3grh s LEU 48 N 1.08 4.31 0.68 4.42 1.43 -1.26 -5.07 118.68 124.27 3grh s LEU 48 Ca -0.04 0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 53.82 3grh s LEU 48 Cb -0.14 -3.22 0.01 0.00 0.03 0.00 0.00 46.19 42.87 3grh s LEU 48 CO -0.04 0.10 1.06 -2.16 0.23 0.00 0.00 176.35 175.54 3grh s PRO 49 N -2.16 2.91 0.34 1.29 0.04 -1.26 -4.96 135.00 131.20 3grh s PRO 49 Ca 0.38 0.41 0.13 0.00 0.04 0.00 0.00 61.00 61.95 3grh s PRO 49 Cb -0.14 -2.06 0.59 0.00 0.04 0.00 0.00 34.50 32.94 3grh s PRO 49 CO 0.20 -0.95 1.74 0.00 0.04 0.00 0.00 177.00 178.02 3grh h ALA 50 N -0.56 1.17 -3.38 8.56 0.00 -2.06 -3.41 119.26 119.59 3grh h ALA 50 Ca -0.45 -0.42 -0.44 0.00 0.00 0.00 0.00 54.91 53.60 3grh h ALA 50 Cb 1.25 -0.07 -0.35 0.00 0.00 0.00 0.00 17.79 18.61 3grh h ALA 50 CO 0.63 0.58 -0.78 -0.65 0.00 0.00 0.00 179.25 179.03 3grh s GLN 51 N -3.88 0.97 0.77 0.00 -1.52 -1.26 -5.15 119.66 109.58 3grh s GLN 51 Ca -0.02 -0.11 -0.11 0.00 -1.95 0.00 0.00 55.36 53.17 3grh s GLN 51 Cb 0.13 -1.02 0.05 0.00 -0.22 0.00 0.00 33.01 31.95 3grh s GLN 51 CO 0.73 -0.14 1.09 -1.25 -0.25 0.00 0.00 175.29 175.47 3grh s PRO 52 N 1.22 2.31 0.11 2.91 0.04 -1.26 -4.96 135.00 135.37 3grh s PRO 52 Ca -0.06 0.68 -0.08 0.00 0.04 0.00 0.00 61.00 61.58 3grh s PRO 52 Cb -0.14 -1.94 -0.14 0.00 0.04 0.00 0.00 34.50 32.32 3grh s PRO 52 CO -0.02 -1.47 1.26 -0.44 0.04 0.00 0.00 177.00 176.38 3grh h ASP 53 N -0.98 0.68 -4.76 6.66 3.32 -1.47 -3.46 116.42 116.41 3grh h ASP 53 Ca -0.46 -0.54 -0.18 0.00 0.02 0.00 0.00 57.03 55.87 3grh h ASP 53 Cb 1.26 -0.21 -0.22 0.00 0.22 0.00 0.00 39.33 40.38 3grh h ASP 53 CO 0.59 1.34 -0.70 -0.36 -1.72 0.00 0.00 179.24 178.39 3grh s PHE 54 N -3.30 0.21 -0.10 4.55 0.08 -0.97 -5.03 117.98 113.42 3grh s PHE 54 Ca -0.07 -0.44 0.01 0.00 0.12 0.00 0.00 56.93 56.55 3grh s PHE 54 Cb 0.08 -0.16 0.02 0.00 -0.57 0.00 0.00 43.02 42.39 3grh s PHE 54 CO 0.89 -0.16 -0.11 0.08 -0.10 0.00 0.00 175.22 175.82 3grh s VAL 55 N -1.20 1.18 -0.14 -0.44 1.01 -1.26 -0.95 120.40 118.60 3grh s VAL 55 Ca -0.13 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 3grh s VAL 55 Cb -0.08 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3grh s VAL 55 CO -0.01 0.38 0.04 -0.69 0.00 0.00 0.00 175.10 174.82 3grh s VAL 56 N 1.17 4.60 0.04 2.92 1.01 0.06 -0.18 120.40 130.02 3grh s VAL 56 Ca -0.04 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.73 3grh s VAL 56 Cb -0.14 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.25 3grh s VAL 56 CO -0.03 0.52 0.42 0.61 0.00 0.00 0.00 175.10 176.62 3grh n GLY 57 N 2.97 0.84 3.77 4.51 0.00 -0.88 -0.75 105.19 115.64 3grh n GLY 57 Ca -0.18 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.50 3grh n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3grh s PRO 58 N -2.01 3.83 0.24 1.61 0.04 -1.26 -4.29 135.00 133.16 3grh s PRO 58 Ca 0.09 1.83 -0.31 0.00 0.04 0.00 0.00 61.00 62.65 3grh s PRO 58 Cb -0.01 -2.50 -0.12 0.00 0.04 0.00 0.00 34.50 31.91 3grh s PRO 58 CO 0.01 -0.50 1.61 0.00 0.04 0.00 0.00 177.00 178.16 3grh n ALA 59 N -0.31 2.27 -0.05 8.56 0.00 -1.26 -2.40 120.51 127.32 3grh n ALA 59 Ca 0.06 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3grh n ALA 59 Cb 0.47 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.48 3grh n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3grh n GLY 60 N 2.99 1.38 3.78 0.00 0.00 -1.26 -5.04 105.19 107.03 3grh n GLY 60 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3grh n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3grh s THR 61 N -2.54 3.80 0.15 2.61 2.01 -1.01 -4.94 115.64 115.72 3grh s THR 61 Ca 0.00 1.50 -0.32 0.00 0.31 0.00 0.00 61.69 63.18 3grh s THR 61 Cb 0.00 -3.83 -0.11 0.00 0.01 0.00 0.00 72.50 68.56 3grh s THR 61 CO 0.00 0.13 1.79 0.00 -0.69 0.00 0.00 174.62 175.85 3grh n GLN 62 N 0.38 2.76 -0.10 4.92 6.02 -1.26 -2.40 117.38 127.70 3grh n GLN 62 Ca 0.03 1.00 0.00 0.00 -0.01 0.00 0.00 57.00 58.02 3grh n GLN 62 Cb 0.49 -2.88 0.00 0.00 1.02 0.00 0.00 30.24 28.87 3grh n GLN 62 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3grh n GLY 63 N 4.12 1.29 3.73 1.08 0.00 -1.26 -5.02 105.19 109.13 3grh n GLY 63 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3grh n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3grh s VAL 64 N -2.57 3.34 -0.22 1.61 1.01 -1.01 -4.56 120.40 117.99 3grh s VAL 64 Ca 0.00 1.03 0.12 0.00 0.00 0.00 0.00 61.98 63.13 3grh s VAL 64 Cb 0.00 -3.66 -0.22 0.00 0.00 0.00 0.00 36.38 32.50 3grh s VAL 64 CO 0.00 0.12 -0.03 0.35 0.00 0.00 0.00 175.10 175.54 3grh n THR 65 N 3.22 1.43 -3.92 3.92 -2.24 0.74 -4.96 114.28 112.48 3grh n THR 65 Ca 0.08 -0.75 -0.10 0.00 -2.27 0.00 0.00 64.05 61.01 3grh n THR 65 Cb 0.43 -0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 67.74 3grh n THR 65 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3grh s HIS 66 N -2.50 0.16 -0.89 4.78 3.76 -0.88 -4.99 115.29 114.73 3grh s HIS 66 Ca -0.19 -0.40 0.15 0.00 -0.15 0.00 0.00 55.06 54.47 3grh s HIS 66 Cb 0.07 -0.12 -0.12 0.00 1.11 0.00 0.00 32.58 33.52 3grh s HIS 66 CO 0.75 -0.32 0.68 0.25 -0.85 0.00 0.00 174.74 175.24 3grh n THR 67 N 1.05 0.00 -4.25 1.30 -2.24 -1.26 -2.08 114.28 106.79 3grh n THR 67 Ca -0.21 -0.20 -0.18 0.00 -2.27 0.00 0.00 64.05 61.19 3grh n THR 67 Cb 0.57 1.05 -0.11 0.00 -2.10 0.00 0.00 70.33 69.74 3grh n THR 67 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3grh s THR 68 N -2.25 1.39 0.13 4.28 -4.23 -1.26 -4.72 115.64 108.96 3grh s THR 68 Ca 0.08 -1.74 -0.05 0.00 -1.18 0.00 0.00 61.69 58.80 3grh s THR 68 Cb 0.12 -1.57 -0.18 0.00 1.34 0.00 0.00 72.50 72.20 3grh s THR 68 CO 0.55 -0.40 1.30 0.40 -0.54 0.00 0.00 174.62 175.93 3grh h ILE 69 N 3.49 1.39 -0.90 2.99 2.04 -1.92 -3.01 117.51 121.61 3grh h ILE 69 Ca -0.40 -2.43 0.02 0.00 1.00 0.00 0.00 64.86 63.04 3grh h ILE 69 Cb 1.20 2.41 -0.05 0.00 -0.74 0.00 0.00 36.82 39.64 3grh h ILE 69 CO 0.51 0.73 0.59 -0.61 0.00 0.00 0.00 178.15 179.36 3grh h GLN 70 N 0.24 1.15 -0.74 2.37 5.75 -1.95 -0.08 115.11 121.85 3grh h GLN 70 Ca -0.08 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.30 3grh h GLN 70 Cb 1.58 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 29.84 3grh h GLN 70 CO 0.16 0.76 0.28 0.00 -2.65 0.00 0.00 178.83 177.38 3grh h ALA 71 N 1.45 1.10 -0.27 3.38 0.00 -1.94 -0.12 119.26 122.86 3grh h ALA 71 Ca 0.34 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3grh h ALA 71 Cb -0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 3grh h ALA 71 CO -0.08 0.64 -0.27 0.00 0.00 0.00 0.00 179.25 179.53 3grh h ALA 72 N 1.22 0.40 -0.39 0.00 0.00 -1.25 -1.43 119.26 117.81 3grh h ALA 72 Ca 0.24 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3grh h ALA 72 Cb 0.23 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3grh h ALA 72 CO -0.02 0.40 0.12 0.28 0.00 0.00 0.00 179.25 180.03 3grh h VAL 73 N 0.39 0.87 -0.91 0.00 2.07 -0.78 -1.71 116.25 116.18 3grh h VAL 73 Ca 0.04 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.54 3grh h VAL 73 Cb 0.84 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 3grh h VAL 73 CO 0.07 0.05 0.57 0.44 0.02 0.00 0.00 177.57 178.72 3grh h ASP 74 N 0.27 0.89 0.24 0.57 3.32 -0.99 -0.71 116.42 120.01 3grh h ASP 74 Ca 0.18 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 3grh h ASP 74 Cb 0.17 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3grh h ASP 74 CO -0.20 0.56 -0.32 0.00 -1.72 0.00 0.00 179.24 177.57 3grh h ALA 75 N 1.43 1.36 -0.15 3.45 0.00 -0.82 -1.42 119.26 123.11 3grh h ALA 75 Ca 0.40 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3grh h ALA 75 Cb 0.20 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3grh h ALA 75 CO -0.18 0.46 -0.18 0.00 0.00 0.00 0.00 179.25 179.35 3grh h ALA 76 N 1.58 0.22 -0.64 0.00 0.00 -0.61 -3.34 119.26 116.47 3grh h ALA 76 Ca 0.01 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 3grh h ALA 76 Cb 0.61 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3grh h ALA 76 CO 0.04 0.14 0.05 0.82 0.00 0.00 0.00 179.25 180.30 3grh h ILE 77 N 0.01 1.27 0.00 0.00 1.08 -0.71 -2.92 117.51 116.23 3grh h ILE 77 Ca 0.02 -1.11 -0.00 0.00 -0.39 0.00 0.00 64.86 63.38 3grh h ILE 77 Cb 0.72 0.72 -0.00 0.00 -3.07 0.00 0.00 36.82 35.19 3grh h ILE 77 CO 0.04 0.41 -0.01 0.16 -0.69 0.00 0.00 178.15 178.07 3grh h ILE 78 N 1.02 0.07 0.00 -0.67 3.07 -1.39 -1.92 117.51 117.69 3grh h ILE 78 Ca 0.19 -0.11 -0.02 0.00 1.55 0.00 0.00 64.86 66.47 3grh h ILE 78 Cb 0.51 1.10 -0.00 0.00 -0.27 0.00 0.00 36.82 38.16 3grh h ILE 78 CO 0.02 0.01 -0.10 0.11 -1.05 0.00 0.00 178.15 177.14 3grh h LYS 79 N 0.00 0.00 -6.06 0.16 1.57 -1.64 -3.47 116.57 107.13 3grh h LYS 79 Ca -0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.35 3grh h LYS 79 Cb 0.10 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.46 3grh h LYS 79 CO 0.00 0.10 -0.75 0.54 -0.57 0.00 0.00 179.45 178.76 3grh n ARG 80 N -3.38 -6.20 -4.06 3.15 5.12 -0.72 -4.97 116.66 105.60 3grh n ARG 80 Ca -0.01 0.69 -0.29 0.00 -1.93 0.00 0.00 57.85 56.32 3grh n ARG 80 Cb 0.27 -5.57 -0.06 0.00 -1.16 0.00 0.00 32.46 25.94 3grh n ARG 80 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3grh s THR 81 N -3.39 4.54 -0.72 0.55 -1.32 -1.26 -5.00 115.64 109.03 3grh s THR 81 Ca 0.43 -0.88 0.26 0.00 -1.21 0.00 0.00 61.69 60.28 3grh s THR 81 Cb -0.21 -3.24 0.19 0.00 -1.51 0.00 0.00 72.50 67.74 3grh s THR 81 CO 0.79 0.03 1.61 0.59 -2.21 0.00 0.00 174.62 175.43 3grh n ASN 82 N 0.13 0.72 -4.78 8.08 3.02 -1.26 -2.37 115.26 118.80 3grh n ASN 82 Ca -0.08 0.39 -0.37 0.00 -0.03 0.00 0.00 54.58 54.48 3grh n ASN 82 Cb 0.53 -0.41 -0.06 0.00 -0.61 0.00 0.00 39.78 39.22 3grh n ASN 82 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3grh s LYS 83 N -3.11 4.58 0.28 3.52 1.02 -1.26 -4.41 119.74 120.36 3grh s LYS 83 Ca 0.09 1.32 -0.29 0.00 0.02 0.00 0.00 55.97 57.10 3grh s LYS 83 Cb 0.13 -2.81 -0.10 0.00 -0.52 0.00 0.00 37.83 34.53 3grh s LYS 83 CO 0.64 0.29 1.40 0.50 -0.92 0.00 0.00 175.35 177.25 3grh s ARG 84 N -2.04 4.29 -0.00 1.68 3.52 -1.26 -4.45 118.95 120.69 3grh s ARG 84 Ca 0.50 2.29 0.06 0.00 -0.13 0.00 0.00 55.73 58.44 3grh s ARG 84 Cb -0.19 -3.09 -0.03 0.00 -1.56 0.00 0.00 34.95 30.09 3grh s ARG 84 CO 0.24 -0.35 -0.18 -0.65 -0.81 0.00 0.00 175.30 173.55 3grh s GLN 85 N -0.96 2.24 -0.14 5.12 -0.21 -0.75 -5.00 119.66 119.96 3grh s GLN 85 Ca 0.55 -0.87 0.00 0.00 0.02 0.00 0.00 55.36 55.07 3grh s GLN 85 Cb -0.41 -2.24 -0.01 0.00 1.00 0.00 0.00 33.01 31.35 3grh s GLN 85 CO 0.48 0.57 -0.15 0.71 -2.12 0.00 0.00 175.29 174.78 3grh s TYR 86 N -0.81 2.77 -0.24 0.91 2.02 -1.26 -0.48 117.35 120.26 3grh s TYR 86 Ca 0.13 -0.91 0.02 0.00 -0.37 0.00 0.00 57.07 55.94 3grh s TYR 86 Cb -0.10 -1.86 0.05 0.00 -0.40 0.00 0.00 41.96 39.64 3grh s TYR 86 CO 0.03 -0.39 -0.12 0.42 -1.57 0.00 0.00 175.55 173.92 3grh s ILE 87 N 0.64 2.24 0.10 2.71 1.01 0.24 -1.00 121.20 127.14 3grh s ILE 87 Ca -0.08 -1.41 -0.21 0.00 0.00 0.00 0.00 60.65 58.95 3grh s ILE 87 Cb -0.16 -2.22 -0.07 0.00 0.01 0.00 0.00 42.46 40.03 3grh s ILE 87 CO 0.03 0.12 0.62 0.00 0.00 0.00 0.00 174.94 175.70 3grh s ALA 88 N 1.17 3.56 -0.16 9.38 0.00 -0.12 -1.61 121.76 133.98 3grh s ALA 88 Ca -0.05 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.03 3grh s ALA 88 Cb -0.18 -2.71 0.02 0.00 0.00 0.00 0.00 23.12 20.25 3grh s ALA 88 CO -0.07 0.38 -0.18 0.08 0.00 0.00 0.00 175.76 175.97 3grh s VAL 89 N -1.12 1.86 0.56 0.00 1.01 0.76 -0.76 120.40 122.71 3grh s VAL 89 Ca 0.31 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.29 3grh s VAL 89 Cb -0.20 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 3grh s VAL 89 CO 0.21 0.51 1.06 -0.04 0.00 0.00 0.00 175.10 176.83 3grh s MET 90 N 1.29 3.46 0.18 2.72 -1.94 0.07 -1.18 119.30 123.90 3grh s MET 90 Ca 0.03 1.27 -0.32 0.00 -1.71 0.00 0.00 55.69 54.96 3grh s MET 90 Cb -0.13 -2.05 -0.15 0.00 2.01 0.00 0.00 34.83 34.50 3grh s MET 90 CO -0.10 -0.70 1.19 -2.30 -0.01 0.00 0.00 175.02 173.09 3grh n PRO 91 N -1.68 1.27 -3.96 2.03 -0.02 -1.26 -4.83 135.00 126.56 3grh n PRO 91 Ca 0.09 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3grh n PRO 91 Cb 0.53 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3grh n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3grh n GLY 92 N 2.00 -2.58 3.40 -1.23 0.00 -0.75 -4.88 105.19 101.16 3grh n GLY 92 Ca 0.14 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 3grh n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3grh s GLU 93 N -1.98 3.40 -0.31 1.61 8.01 -1.26 -1.40 118.70 126.76 3grh s GLU 93 Ca 0.00 -0.66 0.02 0.00 0.01 0.00 0.00 54.97 54.34 3grh s GLU 93 Cb 0.00 -2.67 0.09 0.00 -4.31 0.00 0.00 34.13 27.25 3grh s GLU 93 CO 0.00 0.24 0.05 0.71 0.01 0.00 0.00 175.26 176.27 3grh s TYR 94 N 0.30 2.76 -0.09 1.61 2.02 0.22 -4.98 117.35 119.18 3grh s TYR 94 Ca -0.09 -2.33 -0.22 0.00 -0.37 0.00 0.00 57.07 54.06 3grh s TYR 94 Cb -0.15 -2.26 -0.04 0.00 -0.40 0.00 0.00 41.96 39.11 3grh s TYR 94 CO 0.05 -0.90 0.66 -1.14 -1.57 0.00 0.00 175.55 172.65 3grh s GLN 95 N 1.25 4.39 0.00 -0.62 0.74 -1.26 -2.09 119.66 122.07 3grh s GLN 95 Ca 0.08 0.78 0.00 0.00 0.05 0.00 0.00 55.36 56.27 3grh s GLN 95 Cb -0.18 -3.46 0.00 0.00 1.10 0.00 0.00 33.01 30.46 3grh s GLN 95 CO -0.15 0.03 0.00 0.41 -0.55 0.00 0.00 175.29 175.04 3grh n GLY 96 N 3.22 3.87 3.74 2.59 0.00 -0.17 -4.95 105.19 113.49 3grh n GLY 96 Ca -0.02 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 3grh n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3grh s THR 97 N -2.17 2.88 -0.11 2.61 -4.23 -1.26 -4.47 115.64 108.89 3grh s THR 97 Ca 0.00 0.33 -0.02 0.00 -1.18 0.00 0.00 61.69 60.82 3grh s THR 97 Cb 0.00 -2.72 0.04 0.00 1.34 0.00 0.00 72.50 71.16 3grh s THR 97 CO 0.00 -0.33 0.01 -0.69 -0.54 0.00 0.00 174.62 173.07 3grh s VAL 98 N -2.61 0.43 -0.20 2.29 1.01 -0.07 -4.61 120.40 116.64 3grh s VAL 98 Ca 0.65 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.49 3grh s VAL 98 Cb -0.21 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 3grh s VAL 98 CO 0.52 0.10 -0.07 -0.31 0.00 0.00 0.00 175.10 175.34 3grh s TYR 99 N 1.93 2.92 -0.31 5.22 1.51 -1.26 -1.03 117.35 126.34 3grh s TYR 99 Ca 0.03 -0.89 -0.03 0.00 -1.01 0.00 0.00 57.07 55.17 3grh s TYR 99 Cb -0.14 -2.03 0.04 0.00 -0.11 0.00 0.00 41.96 39.72 3grh s TYR 99 CO -0.06 -0.47 0.03 0.08 -1.11 0.00 0.00 175.55 174.02 3grh s VAL 100 N 1.18 3.27 0.67 0.71 1.01 0.11 -4.86 120.40 122.48 3grh s VAL 100 Ca 0.02 -1.22 -0.11 0.00 0.00 0.00 0.00 61.98 60.66 3grh s VAL 100 Cb -0.14 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 3grh s VAL 100 CO -0.02 -0.08 1.07 -2.16 0.00 0.00 0.00 175.10 173.91 3grh s PRO 101 N 1.32 3.16 0.33 2.72 0.04 -1.26 -0.50 135.00 140.80 3grh s PRO 101 Ca -0.03 0.59 -0.29 0.00 0.04 0.00 0.00 61.00 61.31 3grh s PRO 101 Cb -0.19 -2.04 -0.12 0.00 0.04 0.00 0.00 34.50 32.19 3grh s PRO 101 CO -0.00 -0.85 1.42 0.00 0.04 0.00 0.00 177.00 177.61 3grh n ALA 102 N -2.91 1.81 -3.29 8.56 0.00 -1.25 -3.62 120.51 119.82 3grh n ALA 102 Ca 0.07 0.36 -0.12 0.00 0.00 0.00 0.00 53.44 53.75 3grh n ALA 102 Cb 0.56 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 17.63 3grh n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3grh s ALA 103 N -0.75 -1.36 0.45 0.00 0.00 -1.26 -4.96 121.76 113.88 3grh s ALA 103 Ca 0.58 0.42 0.17 0.00 0.00 0.00 0.00 51.96 53.13 3grh s ALA 103 Cb -0.54 0.66 1.12 0.00 0.00 0.00 0.00 23.12 24.36 3grh s ALA 103 CO 0.58 -0.65 2.02 -1.00 0.00 0.00 0.00 175.76 176.72 3grh h PRO 104 N 2.35 0.00 -6.36 0.00 0.13 -1.94 -3.43 132.00 122.75 3grh h PRO 104 Ca -0.33 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.19 3grh h PRO 104 Cb 1.26 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.27 3grh h PRO 104 CO 0.41 0.16 -0.67 0.20 -0.23 0.00 0.00 178.00 177.87 3grh s GLY 105 N -4.18 1.73 0.41 1.56 0.00 -1.00 -4.66 107.32 101.19 3grh s GLY 105 Ca -0.04 -1.38 -0.23 0.00 0.00 0.00 0.00 44.72 43.07 3grh s GLY 105 CO 0.67 -1.39 1.04 -0.32 0.00 0.00 0.00 173.10 173.11 3grh s GLY 106 N -2.89 2.69 -0.13 0.20 0.00 -1.26 -4.87 107.32 101.06 3grh s GLY 106 Ca 0.27 0.68 -0.01 0.00 0.00 0.00 0.00 44.72 45.66 3grh s GLY 106 CO 0.18 1.08 -0.10 -0.42 0.00 0.00 0.00 173.10 173.84 3grh s ILE 107 N -1.72 3.31 -0.20 0.90 -1.09 -1.26 -1.81 121.20 119.32 3grh s ILE 107 Ca 0.59 -0.58 -0.04 0.00 -2.23 0.00 0.00 60.65 58.39 3grh s ILE 107 Cb -0.21 -2.40 -0.02 0.00 -1.58 0.00 0.00 42.46 38.25 3grh s ILE 107 CO 0.26 0.52 -0.02 -0.89 -1.23 0.00 0.00 174.94 173.58 3grh s THR 108 N 0.25 3.74 -0.13 2.92 2.01 0.37 -1.42 115.64 123.38 3grh s THR 108 Ca -0.07 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.57 3grh s THR 108 Cb -0.15 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.68 3grh s THR 108 CO 0.05 0.43 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.98 3grh s LEU 109 N 1.08 2.21 -0.03 4.42 2.96 -0.34 -0.59 118.68 128.40 3grh s LEU 109 Ca 0.02 -0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 53.33 3grh s LEU 109 Cb -0.14 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.08 3grh s LEU 109 CO 0.01 0.10 0.11 -0.72 -1.32 0.00 0.00 176.35 174.53 3grh s TYR 110 N 0.69 -0.04 0.44 5.38 -0.85 -0.63 -2.16 117.35 120.18 3grh s TYR 110 Ca -0.09 0.11 -0.15 0.00 -0.52 0.00 0.00 57.07 56.41 3grh s TYR 110 Cb -0.16 -0.00 -0.08 0.00 0.38 0.00 0.00 41.96 42.10 3grh s TYR 110 CO 0.01 -0.14 0.88 0.20 -1.52 0.00 0.00 175.55 174.99 3grh s GLY 111 N -0.48 2.11 -0.10 5.49 0.00 -0.43 -0.17 107.32 113.74 3grh s GLY 111 Ca -0.06 0.07 0.14 0.00 0.00 0.00 0.00 44.72 44.87 3grh s GLY 111 CO 0.00 0.31 1.22 -1.30 0.00 0.00 0.00 173.10 173.34 3grh n THR 112 N -1.21 1.72 -1.69 0.90 -2.24 -0.33 -4.78 114.28 106.66 3grh n THR 112 Ca 0.05 -1.74 -0.29 0.00 -2.27 0.00 0.00 64.05 59.80 3grh n THR 112 Cb 0.54 -0.01 0.12 0.00 -2.10 0.00 0.00 70.33 68.88 3grh n THR 112 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3grh s GLY 113 N -1.99 1.58 0.32 3.38 0.00 -1.26 -4.83 107.32 104.53 3grh s GLY 113 Ca 0.28 -0.58 0.10 0.00 0.00 0.00 0.00 44.72 44.52 3grh s GLY 113 CO 0.06 -0.05 1.74 -2.09 0.00 0.00 0.00 173.10 172.75 3grh h GLU 114 N -1.31 0.09 -5.16 2.90 4.57 -1.97 -3.45 114.58 110.26 3grh h GLU 114 Ca -0.49 -0.04 -0.36 0.00 -1.18 0.00 0.00 59.36 57.29 3grh h GLU 114 Cb 1.33 -0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.78 3grh h GLU 114 CO 0.64 0.51 -0.70 0.15 -1.18 0.00 0.00 179.01 178.43 3grh s LYS 115 N -4.06 1.20 0.57 1.92 1.02 -1.26 -5.04 119.74 114.09 3grh s LYS 115 Ca -0.03 -1.55 0.29 0.00 0.02 0.00 0.00 55.97 54.70 3grh s LYS 115 Cb 0.14 -0.71 1.69 0.00 -0.52 0.00 0.00 37.83 38.43 3grh s LYS 115 CO 0.75 0.04 2.19 -1.35 -0.92 0.00 0.00 175.35 176.06 3grh h PRO 116 N 2.64 0.00 0.00 -1.68 0.11 -1.85 -1.61 132.00 129.61 3grh h PRO 116 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3grh h PRO 116 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3grh h PRO 116 CO 0.64 0.04 0.00 1.51 -0.21 0.00 0.00 178.00 179.98 3grh n ILE 117 N -3.80 0.87 0.25 4.15 0.13 -1.26 -2.78 119.36 116.92 3grh n ILE 117 Ca -0.03 0.25 0.14 0.00 -1.10 0.00 0.00 62.75 62.02 3grh n ILE 117 Cb 0.13 -1.16 0.54 0.00 -0.84 0.00 0.00 39.64 38.31 3grh n ILE 117 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 3grh h ASP 118 N 0.00 0.00 -3.37 9.51 3.32 -1.65 -3.40 116.42 120.83 3grh h ASP 118 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 3grh h ASP 118 Cb 0.33 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.54 3grh h ASP 118 CO 0.00 0.07 -0.80 -0.69 -1.72 0.00 0.00 179.24 176.10 3grh s VAL 119 N -3.59 2.45 -0.17 -1.35 1.01 -1.12 -1.80 120.40 115.83 3grh s VAL 119 Ca 0.02 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.96 3grh s VAL 119 Cb 0.09 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.30 3grh s VAL 119 CO 0.59 0.32 -0.19 -0.54 0.00 0.00 0.00 175.10 175.29 3grh s LYS 120 N 1.28 3.04 -0.20 2.72 1.02 -0.49 -0.78 119.74 126.33 3grh s LYS 120 Ca 0.01 -0.81 -0.03 0.00 0.02 0.00 0.00 55.97 55.15 3grh s LYS 120 Cb -0.15 -2.58 -0.01 0.00 -0.52 0.00 0.00 37.83 34.57 3grh s LYS 120 CO -0.08 -0.15 -0.06 0.42 -0.92 0.00 0.00 175.35 174.56 3grh s ILE 121 N 1.16 3.32 0.11 2.17 1.01 -0.18 -0.61 121.20 128.18 3grh s ILE 121 Ca 0.02 -0.52 -0.22 0.00 0.00 0.00 0.00 60.65 59.92 3grh s ILE 121 Cb -0.14 -2.49 0.06 0.00 0.01 0.00 0.00 42.46 39.90 3grh s ILE 121 CO -0.09 0.44 0.56 -0.83 0.00 0.00 0.00 174.94 175.03 3grh s GLY 122 N 1.28 -0.52 0.05 6.18 0.00 -0.89 -0.98 107.32 112.44 3grh s GLY 122 Ca 0.03 0.50 -0.27 0.00 0.00 0.00 0.00 44.72 44.98 3grh s GLY 122 CO -0.02 0.18 0.75 -2.27 0.00 0.00 0.00 173.10 171.74 3grh s LEU 123 N -2.48 -0.49 -0.33 0.66 2.96 -1.18 -1.00 118.68 116.82 3grh s LEU 123 Ca -0.01 0.12 -0.11 0.00 -0.22 0.00 0.00 54.13 53.90 3grh s LEU 123 Cb -0.00 2.32 -0.01 0.00 0.50 0.00 0.00 46.19 48.99 3grh s LEU 123 CO -0.09 -0.75 0.20 -0.44 -1.32 0.00 0.00 176.35 173.96 3grh s SER 124 N -2.33 5.84 -0.02 3.68 0.01 -1.26 -1.34 113.70 118.29 3grh s SER 124 Ca 0.01 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.78 3grh s SER 124 Cb -0.01 -2.08 0.02 0.00 0.21 0.00 0.00 66.02 64.16 3grh s SER 124 CO -0.08 -0.23 0.01 -0.76 0.41 0.00 0.00 173.24 172.60 3grh s LEU 125 N 1.67 1.40 -0.09 2.44 1.43 -1.26 -4.89 118.68 119.38 3grh s LEU 125 Ca 0.05 0.00 0.05 0.00 -1.03 0.00 0.00 54.13 53.20 3grh s LEU 125 Cb -0.17 -0.10 -0.00 0.00 0.03 0.00 0.00 46.19 45.94 3grh s LEU 125 CO 0.09 -0.08 -0.24 -0.62 0.23 0.00 0.00 176.35 175.73 3grh s ASP 126 N 0.71 3.04 0.62 2.29 -1.08 -1.26 -4.40 116.67 116.58 3grh s ASP 126 Ca -0.06 -0.54 0.31 0.00 -0.52 0.00 0.00 52.55 51.74 3grh s ASP 126 Cb -0.09 -1.22 1.75 0.00 -1.46 0.00 0.00 42.92 41.89 3grh s ASP 126 CO -0.02 0.18 2.09 1.23 0.52 0.00 0.00 175.17 179.17 3grh h GLY 127 N 6.52 0.00 1.92 2.66 0.00 -1.00 -0.92 103.07 112.24 3grh h GLY 127 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3grh h GLY 127 CO 0.47 0.00 -0.00 0.61 0.00 0.00 0.00 176.54 177.62 3grh n GLY 128 N -1.33 -1.46 3.77 4.60 0.00 -1.26 -0.63 105.19 108.88 3grh n GLY 128 Ca 0.01 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 3grh n GLY 128 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3grh s MET 129 N -2.92 3.08 0.54 1.61 0.23 -0.35 -4.66 119.30 116.83 3grh s MET 129 Ca 0.17 1.47 -0.20 0.00 -1.03 0.00 0.00 55.69 56.10 3grh s MET 129 Cb 0.19 -1.98 -0.06 0.00 -1.53 0.00 0.00 34.83 31.45 3grh s MET 129 CO 0.52 -1.04 1.15 -1.54 -2.03 0.00 0.00 175.02 172.08 3grh s SER 130 N -2.25 5.72 0.30 -1.18 1.04 -1.26 -1.02 113.70 115.06 3grh s SER 130 Ca 0.69 2.23 0.03 0.00 0.48 0.00 0.00 55.95 59.38 3grh s SER 130 Cb -0.21 -2.59 0.60 0.00 0.10 0.00 0.00 66.02 63.92 3grh s SER 130 CO 0.35 -1.22 1.85 -0.65 0.98 0.00 0.00 173.24 174.55 3grh h PRO 131 N 1.30 0.92 -0.51 4.02 0.11 -1.80 -0.73 132.00 135.31 3grh h PRO 131 Ca -0.50 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.56 3grh h PRO 131 Cb 1.26 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3grh h PRO 131 CO 0.57 0.61 0.33 0.00 -0.21 0.00 0.00 178.00 179.30 3grh h ALA 132 N 1.55 0.65 -0.77 -0.75 0.00 -1.93 0.55 119.26 118.56 3grh h ALA 132 Ca 0.48 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 3grh h ALA 132 Cb 0.50 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3grh h ALA 132 CO -0.24 0.08 0.27 -0.44 0.00 0.00 0.00 179.25 178.92 3grh h ASP 133 N 0.68 1.10 -0.09 0.00 3.32 -1.87 -2.32 116.42 117.23 3grh h ASP 133 Ca 0.19 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3grh h ASP 133 Cb -0.06 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 3grh h ASP 133 CO -0.05 0.99 0.03 -0.25 -1.72 0.00 0.00 179.24 178.24 3grh h TRP 134 N 1.14 0.06 -0.84 4.55 7.01 -0.79 -2.19 115.95 124.89 3grh h TRP 134 Ca 0.25 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.25 3grh h TRP 134 Cb 0.27 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.28 3grh h TRP 134 CO 0.02 0.03 0.50 0.00 -2.79 0.00 0.00 178.44 176.21 3grh h ARG 135 N 0.08 1.14 -0.40 2.65 3.08 -0.80 -0.00 114.38 120.12 3grh h ARG 135 Ca 0.04 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3grh h ARG 135 Cb 0.02 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 3grh h ARG 135 CO -0.04 0.80 0.14 1.25 -1.07 0.00 0.00 179.97 181.05 3grh h HIS 136 N 1.16 0.62 -0.05 3.04 2.76 -1.24 -1.06 115.15 120.37 3grh h HIS 136 Ca 0.30 -0.05 -0.22 0.00 -2.20 0.00 0.00 60.37 58.19 3grh h HIS 136 Cb -0.05 -0.18 0.01 0.00 1.55 0.00 0.00 27.41 28.74 3grh h HIS 136 CO 0.00 0.56 -0.87 -0.44 -1.30 0.00 0.00 177.93 175.88 3grh h ASP 137 N 0.49 0.67 0.60 3.26 5.19 -1.00 -3.30 116.42 122.33 3grh h ASP 137 Ca 0.13 -0.49 -0.28 0.00 -0.62 0.00 0.00 57.03 55.77 3grh h ASP 137 Cb 0.22 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 3grh h ASP 137 CO -0.01 1.28 -1.38 0.58 -3.12 0.00 0.00 179.24 176.59 3grh h VAL 138 N 0.34 1.32 -2.14 -1.35 2.07 -1.03 -3.43 116.25 112.02 3grh h VAL 138 Ca -0.07 -2.97 -0.58 0.00 0.82 0.00 0.00 66.70 63.89 3grh h VAL 138 Cb 1.50 2.80 -0.41 0.00 -1.52 0.00 0.00 31.29 33.65 3grh h VAL 138 CO 0.16 0.84 -0.75 -3.20 0.02 0.00 0.00 177.57 174.64 3grh n ASN 139 N -3.42 2.82 -4.75 0.57 5.15 -0.40 -4.73 115.26 110.50 3grh n ASN 139 Ca -0.11 -3.26 -0.40 0.00 -0.60 0.00 0.00 54.58 50.20 3grh n ASN 139 Cb 1.02 -0.65 -0.06 0.00 -0.53 0.00 0.00 39.78 39.56 3grh n ASN 139 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3grh s PRO 140 N -2.25 4.82 -1.59 1.20 0.02 -1.25 -4.38 135.00 131.57 3grh s PRO 140 Ca 0.40 1.53 -0.04 0.00 0.02 0.00 0.00 61.00 62.90 3grh s PRO 140 Cb 0.18 -3.28 0.01 0.00 0.02 0.00 0.00 34.50 31.43 3grh s PRO 140 CO -0.05 0.46 0.45 0.54 -0.33 0.00 0.00 177.00 178.06 3grh n ARG 141 N 1.56 -4.02 -2.30 5.54 1.74 -1.26 -2.58 116.66 115.34 3grh n ARG 141 Ca -0.02 0.91 -0.12 0.00 -0.77 0.00 0.00 57.85 57.86 3grh n ARG 141 Cb 0.47 -5.72 -0.00 0.00 -1.02 0.00 0.00 32.46 26.19 3grh n ARG 141 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3grh n GLY 142 N -1.37 -0.08 0.27 -0.13 0.00 -1.26 -4.92 105.19 97.70 3grh n GLY 142 Ca -0.14 -0.38 0.05 0.00 0.00 0.00 0.00 46.02 45.54 3grh n GLY 142 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3grh h LYS 143 N -0.15 0.42 -5.16 1.61 3.64 -1.77 -3.38 116.57 111.78 3grh h LYS 143 Ca -0.28 -0.03 -0.67 0.00 -1.27 0.00 0.00 60.65 58.41 3grh h LYS 143 Cb 1.20 -0.09 -0.33 0.00 -0.41 0.00 0.00 32.23 32.60 3grh h LYS 143 CO 0.32 0.28 -0.84 0.71 -2.27 0.00 0.00 179.45 177.64 3grh s TYR 144 N -6.03 2.73 0.03 1.91 2.02 -1.26 -5.02 117.35 111.73 3grh s TYR 144 Ca -0.12 -1.30 -0.08 0.00 -0.37 0.00 0.00 57.07 55.20 3grh s TYR 144 Cb 0.20 -1.87 -0.00 0.00 -0.40 0.00 0.00 41.96 39.90 3grh s TYR 144 CO 0.76 -0.61 0.16 -1.64 -1.57 0.00 0.00 175.55 172.66 3grh s MET 145 N 0.93 0.63 0.27 -0.62 -1.94 -1.26 -5.07 119.30 112.24 3grh s MET 145 Ca -0.04 -0.62 -0.30 0.00 -1.71 0.00 0.00 55.69 53.02 3grh s MET 145 Cb -0.15 0.26 -0.13 0.00 2.01 0.00 0.00 34.83 36.82 3grh s MET 145 CO -0.03 -0.17 1.30 -2.30 -0.01 0.00 0.00 175.02 173.81 3grh n PRO 146 N 0.84 1.91 0.00 2.03 -0.02 -1.26 -0.91 135.00 137.59 3grh n PRO 146 Ca -0.20 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3grh n PRO 146 Cb 0.58 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 3grh n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3grh n GLY 147 N 1.62 1.62 3.93 -1.23 0.00 -1.26 -5.03 105.19 104.83 3grh n GLY 147 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 3grh n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3grh s LYS 148 N -0.47 3.53 0.57 1.61 1.02 -0.08 -5.06 119.74 120.87 3grh s LYS 148 Ca 0.00 -0.27 -0.20 0.00 0.02 0.00 0.00 55.97 55.51 3grh s LYS 148 Cb 0.00 -2.74 -0.05 0.00 -0.52 0.00 0.00 37.83 34.53 3grh s LYS 148 CO 0.00 0.28 1.21 -2.30 -0.92 0.00 0.00 175.35 173.61 3grh n PRO 149 N -1.11 1.33 -0.96 -1.68 -0.02 -1.26 -2.60 135.00 128.70 3grh n PRO 149 Ca -0.04 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3grh n PRO 149 Cb 0.55 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3grh n PRO 149 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3grh n ALA 150 N -1.36 0.00 -0.23 3.55 0.00 -1.26 -4.90 120.51 116.31 3grh n ALA 150 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.60 3grh n ALA 150 Cb 0.46 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.06 3grh n ALA 150 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3grh h TRP 151 N 0.00 0.38 -0.47 0.00 2.91 -1.76 -1.85 115.95 115.16 3grh h TRP 151 Ca 0.00 0.04 0.02 0.00 1.13 0.00 0.00 58.89 60.08 3grh h TRP 151 Cb 0.00 -0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 28.56 3grh h TRP 151 CO 0.00 0.02 0.31 0.10 -1.03 0.00 0.00 178.44 177.84 3grh h TYR 152 N 0.36 0.55 0.19 2.65 -0.00 -1.90 0.27 116.97 119.09 3grh h TYR 152 Ca 0.38 0.01 -0.01 0.00 0.00 0.00 0.00 58.73 59.11 3grh h TYR 152 Cb 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 36.73 37.12 3grh h TYR 152 CO -0.20 0.33 -0.09 0.52 -0.00 0.00 0.00 178.16 178.72 3grh h MET 153 N 0.58 -0.24 -0.48 0.10 2.86 -1.71 -2.58 114.93 113.45 3grh h MET 153 Ca 0.18 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 3grh h MET 153 Cb 0.02 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 3grh h MET 153 CO -0.04 0.10 0.30 -0.92 1.06 0.00 0.00 176.91 177.41 3grh h TYR 154 N -0.62 0.63 -0.19 -0.22 3.20 -1.00 -2.87 116.97 115.89 3grh h TYR 154 Ca -0.03 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 3grh h TYR 154 Cb 0.45 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3grh h TYR 154 CO 0.04 0.42 -0.18 0.22 -1.64 0.00 0.00 178.16 177.02 3grh h ASP 155 N 0.65 0.31 0.17 -2.11 3.58 -0.51 -1.12 116.42 117.39 3grh h ASP 155 Ca 0.17 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 3grh h ASP 155 Cb -0.03 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 40.93 3grh h ASP 155 CO -0.03 0.52 -0.05 0.77 -2.88 0.00 0.00 179.24 177.57 3grh h SER 156 N 0.30 0.00 0.06 2.28 4.64 -1.22 -2.74 113.55 116.86 3grh h SER 156 Ca 0.05 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.00 3grh h SER 156 Cb 0.50 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.54 3grh h SER 156 CO 0.03 0.05 -2.26 0.00 -0.87 0.00 0.00 176.83 173.78 3grh h GLN 158 N 0.03 0.00 0.00 0.00 -0.00 -1.06 -2.59 115.11 111.50 3grh h GLN 158 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.14 3grh h GLN 158 Cb 1.96 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.44 3grh h GLN 158 CO -0.01 0.42 0.00 0.66 -0.00 0.00 0.00 178.83 179.90 3grh h SER 159 N 0.00 0.00 -3.87 0.06 4.64 -1.73 -3.46 113.55 109.20 3grh h SER 159 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.78 3grh h SER 159 Cb 1.15 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.33 3grh h SER 159 CO 0.05 0.00 0.74 -0.54 -0.87 0.00 0.00 176.83 176.21 3grh s LYS 160 N -3.37 4.20 -0.05 4.77 1.02 -0.98 -4.90 119.74 120.42 3grh s LYS 160 Ca 0.04 2.44 0.08 0.00 0.02 0.00 0.00 55.97 58.55 3grh s LYS 160 Cb 0.09 -3.01 0.16 0.00 -0.52 0.00 0.00 37.83 34.55 3grh s LYS 160 CO 0.44 -0.42 1.10 0.54 -0.92 0.00 0.00 175.35 176.10 3grh n ARG 161 N 0.74 2.46 -1.29 1.68 5.12 -1.26 -4.85 116.66 119.27 3grh n ARG 161 Ca 0.01 -1.98 -0.29 0.00 -1.93 0.00 0.00 57.85 53.67 3grh n ARG 161 Cb 0.40 -1.24 0.16 0.00 -1.16 0.00 0.00 32.46 30.62 3grh n ARG 161 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3grh s SER 162 N -1.63 3.02 0.30 0.55 1.04 -1.26 -4.95 113.70 110.77 3grh s SER 162 Ca 0.15 1.16 0.03 0.00 0.48 0.00 0.00 55.95 57.77 3grh s SER 162 Cb 0.12 -1.81 0.48 0.00 0.10 0.00 0.00 66.02 64.91 3grh s SER 162 CO 0.03 -2.88 1.78 -0.78 0.98 0.00 0.00 173.24 172.37 3grh h ASP 163 N -1.72 0.50 -4.23 7.02 -0.00 -1.96 -3.41 116.42 112.62 3grh h ASP 163 Ca -0.53 -0.14 -0.45 0.00 -0.00 0.00 0.00 57.03 55.91 3grh h ASP 163 Cb 1.32 -0.13 -0.20 0.00 -0.00 0.00 0.00 39.33 40.32 3grh h ASP 163 CO 0.59 0.68 -0.78 -0.44 -0.00 0.00 0.00 179.24 179.28 3grh s SER 164 N -6.78 2.03 0.16 2.28 0.01 -1.26 -4.10 113.70 106.03 3grh s SER 164 Ca -0.07 -0.71 0.07 0.00 1.31 0.00 0.00 55.95 56.56 3grh s SER 164 Cb 0.14 -0.08 -0.07 0.00 0.21 0.00 0.00 66.02 66.22 3grh s SER 164 CO 0.78 -0.06 1.36 -0.29 0.41 0.00 0.00 173.24 175.44 3grh h ILE 165 N 3.95 1.64 0.00 1.44 6.09 -0.90 -3.45 117.51 126.28 3grh h ILE 165 Ca -0.42 -3.08 0.00 0.00 -1.37 0.00 0.00 64.86 59.99 3grh h ILE 165 Cb 1.19 2.67 0.00 0.00 0.47 0.00 0.00 36.82 41.15 3grh h ILE 165 CO 0.44 0.88 0.00 0.61 -3.07 0.00 0.00 178.15 177.01 3grh n GLY 166 N 1.07 0.52 0.38 8.18 0.00 0.20 -4.46 105.19 111.07 3grh n GLY 166 Ca -0.01 -1.74 -0.02 0.00 0.00 0.00 0.00 46.02 44.26 3grh n GLY 166 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3grh h VAL 167 N 0.00 1.25 0.00 1.61 3.04 -1.90 -2.03 116.25 118.21 3grh h VAL 167 Ca 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 3grh h VAL 167 Cb 0.00 -0.20 0.00 0.00 -2.01 0.00 0.00 31.29 29.08 3grh h VAL 167 CO 0.00 0.24 0.00 0.18 -1.01 0.00 0.00 177.57 176.98 3grh n LEU 168 N -4.39 0.00 -0.02 3.16 4.77 -1.26 -1.41 117.00 117.85 3grh n LEU 168 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3grh n LEU 168 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3grh n LEU 168 CO 0.37 0.00 0.35 0.00 -1.33 0.00 0.00 177.39 176.78 3grh n SER 170 N -0.16 1.87 -4.75 0.00 3.41 -0.50 -4.95 113.62 108.54 3grh n SER 170 Ca 0.00 -1.73 -0.41 0.00 -0.26 0.00 0.00 58.87 56.48 3grh n SER 170 Cb 0.11 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 3grh n SER 170 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3grh s ALA 171 N -1.79 3.43 -0.06 7.33 0.00 -1.25 -3.51 121.76 125.91 3grh s ALA 171 Ca 0.33 0.97 -0.25 0.00 0.00 0.00 0.00 51.96 53.01 3grh s ALA 171 Cb 0.18 -3.38 -0.23 0.00 0.00 0.00 0.00 23.12 19.69 3grh s ALA 171 CO 0.28 -0.30 1.04 0.28 0.00 0.00 0.00 175.76 177.05 3grh h VAL 172 N 3.31 1.56 -3.33 0.00 2.07 -1.29 -3.43 116.25 115.14 3grh h VAL 172 Ca -0.46 -1.86 -0.67 0.00 0.82 0.00 0.00 66.70 64.53 3grh h VAL 172 Cb 1.21 2.74 -0.32 0.00 -1.52 0.00 0.00 31.29 33.41 3grh h VAL 172 CO 0.69 0.50 -0.78 0.12 0.02 0.00 0.00 177.57 178.12 3grh s PHE 173 N -3.20 2.94 -0.12 1.57 5.36 -0.73 -0.89 117.98 122.92 3grh s PHE 173 Ca -0.16 -1.45 -0.01 0.00 -0.96 0.00 0.00 56.93 54.35 3grh s PHE 173 Cb 0.00 -2.01 0.03 0.00 -0.34 0.00 0.00 43.02 40.70 3grh s PHE 173 CO 0.72 -0.72 -0.05 -0.46 -1.46 0.00 0.00 175.22 173.26 3grh s TRP 174 N 1.34 1.30 -0.07 10.12 -0.00 -0.19 -0.46 118.94 130.99 3grh s TRP 174 Ca 0.03 -0.68 0.04 0.00 -0.00 0.00 0.00 56.10 55.49 3grh s TRP 174 Cb -0.15 -1.13 -0.02 0.00 -0.00 0.00 0.00 33.47 32.17 3grh s TRP 174 CO -0.07 -0.50 -0.19 0.45 -0.00 0.00 0.00 176.95 176.64 3grh s SER 175 N 1.77 3.59 0.00 5.86 0.15 -0.33 -0.71 113.70 124.02 3grh s SER 175 Ca 0.04 -0.37 0.10 0.00 0.70 0.00 0.00 55.95 56.41 3grh s SER 175 Cb -0.13 -1.01 0.26 0.00 -1.71 0.00 0.00 66.02 63.42 3grh s SER 175 CO -0.07 0.26 1.20 0.00 1.20 0.00 0.00 173.24 175.82 3grh n GLN 176 N 2.87 2.71 -2.48 5.44 6.02 0.34 -0.75 117.38 131.54 3grh n GLN 176 Ca -0.17 -1.93 -0.43 0.00 -0.01 0.00 0.00 57.00 54.46 3grh n GLN 176 Cb 0.52 -1.24 -0.02 0.00 1.02 0.00 0.00 30.24 30.52 3grh n GLN 176 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3grh s ASN 177 N -0.99 7.03 0.26 1.08 3.84 -1.21 -3.83 114.94 121.12 3grh s ASN 177 Ca 0.20 1.70 -0.30 0.00 0.21 0.00 0.00 52.86 54.68 3grh s ASN 177 Cb 0.11 -2.55 -0.10 0.00 -0.55 0.00 0.00 41.25 38.16 3grh s ASN 177 CO 0.14 -0.65 1.30 0.20 -2.79 0.00 0.00 177.10 175.29 3grh s ASN 178 N 1.62 6.87 0.00 -4.21 0.01 -1.26 -2.72 114.94 115.25 3grh s ASN 178 Ca 0.54 2.52 0.00 0.00 -0.71 0.00 0.00 52.86 55.20 3grh s ASN 178 Cb -0.22 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 38.81 3grh s ASN 178 CO 0.17 -0.50 0.00 0.61 -1.51 0.00 0.00 177.10 175.87 3grh n GLY 179 N 1.66 0.79 3.66 0.66 0.00 0.25 -4.25 105.19 107.96 3grh n GLY 179 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 3grh n GLY 179 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3grh n LEU 180 N 0.00 2.91 -4.07 0.99 7.94 -1.10 -4.25 117.00 119.42 3grh n LEU 180 Ca 0.00 1.16 -0.27 0.00 -1.11 0.00 0.00 56.01 55.79 3grh n LEU 180 Cb 0.00 -1.41 -0.17 0.00 0.53 0.00 0.00 43.42 42.38 3grh n LEU 180 CO 0.00 -0.65 -0.49 -1.10 -1.11 0.00 0.00 177.39 174.04 3grh s GLN 181 N -0.78 2.03 -0.07 1.96 -0.21 -0.50 -1.29 119.66 120.80 3grh s GLN 181 Ca 0.65 -0.53 0.04 0.00 0.02 0.00 0.00 55.36 55.55 3grh s GLN 181 Cb -0.66 -1.64 -0.00 0.00 1.00 0.00 0.00 33.01 31.71 3grh s GLN 181 CO 0.53 0.05 -0.20 -0.51 -2.12 0.00 0.00 175.29 173.05 3grh s LEU 182 N 0.62 1.95 -0.08 2.90 1.43 -0.36 -1.19 118.68 123.94 3grh s LEU 182 Ca -0.15 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.44 3grh s LEU 182 Cb -0.16 -1.15 0.02 0.00 0.03 0.00 0.00 46.19 44.93 3grh s LEU 182 CO 0.05 0.15 0.22 -1.58 0.23 0.00 0.00 176.35 175.42 3grh s GLN 183 N 0.19 0.25 -1.14 1.70 0.74 -0.92 -0.84 119.66 119.65 3grh s GLN 183 Ca -0.10 0.31 -0.01 0.00 0.05 0.00 0.00 55.36 55.61 3grh s GLN 183 Cb -0.15 0.11 0.00 0.00 1.10 0.00 0.00 33.01 34.08 3grh s GLN 183 CO 0.05 -0.04 0.95 -1.71 -0.55 0.00 0.00 175.29 173.99 3grh n ASN 184 N 3.02 -2.45 -3.76 6.67 5.15 -0.14 -1.32 115.26 122.43 3grh n ASN 184 Ca -0.13 -0.57 -0.09 0.00 -0.60 0.00 0.00 54.58 53.19 3grh n ASN 184 Cb 0.58 -4.81 -0.03 0.00 -0.53 0.00 0.00 39.78 34.98 3grh n ASN 184 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 3grh s LEU 185 N -6.15 0.21 -0.06 1.20 0.05 -1.24 -2.88 118.68 109.81 3grh s LEU 185 Ca 0.06 -0.94 0.05 0.00 0.05 0.00 0.00 54.13 53.35 3grh s LEU 185 Cb -0.02 2.09 -0.00 0.00 -2.05 0.00 0.00 46.19 46.21 3grh s LEU 185 CO 0.68 -1.27 -0.21 -0.89 -0.55 0.00 0.00 176.35 174.11 3grh s THR 186 N -3.70 1.79 -0.11 5.48 2.01 0.04 -1.57 115.64 119.58 3grh s THR 186 Ca 0.20 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.31 3grh s THR 186 Cb -0.02 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 70.97 3grh s THR 186 CO 0.10 0.50 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.75 3grh s ILE 187 N 0.07 1.55 -0.03 1.82 1.01 -0.04 -1.01 121.20 124.57 3grh s ILE 187 Ca -0.08 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.91 3grh s ILE 187 Cb -0.14 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 40.93 3grh s ILE 187 CO 0.04 0.45 -0.03 -0.70 0.00 0.00 0.00 174.94 174.70 3grh s GLU 188 N 1.02 0.53 -0.47 2.79 2.12 -0.15 -1.08 118.70 123.46 3grh s GLU 188 Ca -0.06 -0.07 -0.22 0.00 0.36 0.00 0.00 54.97 54.99 3grh s GLU 188 Cb -0.15 -0.59 0.03 0.00 0.26 0.00 0.00 34.13 33.69 3grh s GLU 188 CO -0.02 -0.04 0.73 1.21 -0.54 0.00 0.00 175.26 176.60 3grh s ASN 189 N 0.65 6.34 0.00 -1.70 3.84 -0.88 -3.12 114.94 120.07 3grh s ASN 189 Ca -0.08 -0.36 0.05 0.00 0.21 0.00 0.00 52.86 52.68 3grh s ASN 189 Cb -0.11 -2.36 0.16 0.00 -0.55 0.00 0.00 41.25 38.40 3grh s ASN 189 CO -0.01 -0.92 1.13 0.35 -2.79 0.00 0.00 177.10 174.87 3grh n THR 190 N 5.97 0.18 -0.31 -5.21 -2.24 -0.45 -3.84 114.28 108.38 3grh n THR 190 Ca -0.01 -0.18 0.04 0.00 -2.27 0.00 0.00 64.05 61.64 3grh n THR 190 Cb 0.47 0.09 0.19 0.00 -2.10 0.00 0.00 70.33 68.98 3grh n THR 190 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3grh h LEU 191 N 0.81 0.70 0.00 3.22 5.85 -1.89 -3.44 115.31 120.56 3grh h LEU 191 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3grh h LEU 191 Cb 0.18 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3grh h LEU 191 CO 0.00 0.38 0.00 0.61 -0.34 0.00 0.00 178.44 179.09 3grh n GLY 192 N -1.33 3.00 1.73 3.75 0.00 -1.25 -1.52 105.19 109.57 3grh n GLY 192 Ca 0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 3grh n GLY 192 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3grh n ASP 193 N 2.67 4.29 -0.00 1.61 8.00 -1.26 -4.19 116.55 127.68 3grh n ASP 193 Ca 0.00 -2.92 0.14 0.00 0.71 0.00 0.00 54.79 52.72 3grh n ASP 193 Cb 0.00 -0.69 0.60 0.00 -0.02 0.00 0.00 41.12 41.01 3grh n ASP 193 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3grh n SER 194 N 0.02 0.04 -4.46 -2.24 3.41 -0.58 -4.82 113.62 104.98 3grh n SER 194 Ca 0.31 0.39 -0.23 0.00 -0.26 0.00 0.00 58.87 59.08 3grh n SER 194 Cb 1.15 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 64.57 3grh n SER 194 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3grh s VAL 195 N -2.96 1.92 0.48 -3.33 -7.23 -1.26 -5.16 120.40 102.85 3grh s VAL 195 Ca 0.15 -2.18 -0.08 0.00 -1.81 0.00 0.00 61.98 58.06 3grh s VAL 195 Cb 0.19 -2.48 0.11 0.00 0.56 0.00 0.00 36.38 34.76 3grh s VAL 195 CO 0.54 -0.29 0.62 -0.90 -0.31 0.00 0.00 175.10 174.75 3grh n ASP 196 N -0.64 -0.15 0.00 4.85 5.68 -1.26 -4.95 116.55 120.07 3grh n ASP 196 Ca -0.05 -1.17 0.12 0.00 -0.50 0.00 0.00 54.79 53.18 3grh n ASP 196 Cb 0.63 -0.48 0.69 0.00 -1.14 0.00 0.00 41.12 40.81 3grh n ASP 196 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3grh n ALA 197 N -3.47 2.34 -1.13 2.12 0.00 -1.25 -4.86 120.51 114.26 3grh n ALA 197 Ca -0.10 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3grh n ALA 197 Cb 0.27 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3grh n ALA 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3grh n GLY 198 N 0.60 -0.60 3.63 0.00 0.00 -1.26 -4.89 105.19 102.66 3grh n GLY 198 Ca 0.16 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 3grh n GLY 198 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3grh s ASN 199 N -1.00 6.51 -0.42 1.61 2.47 -1.26 -4.91 114.94 117.94 3grh s ASN 199 Ca 0.00 1.34 0.07 0.00 0.42 0.00 0.00 52.86 54.69 3grh s ASN 199 Cb 0.00 -2.54 0.23 0.00 -1.45 0.00 0.00 41.25 37.50 3grh s ASN 199 CO 0.00 -1.19 0.58 1.41 -3.72 0.00 0.00 177.10 174.17 3grh n HIS 200 N 8.10 -1.21 -1.74 0.43 8.25 -1.26 -4.88 115.22 122.92 3grh n HIS 200 Ca 0.17 -3.06 -0.42 0.00 -0.26 0.00 0.00 57.72 54.14 3grh n HIS 200 Cb 0.46 0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.75 3grh n HIS 200 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3grh s PRO 201 N -0.53 4.12 -0.42 -0.41 0.02 -1.26 -4.48 135.00 132.03 3grh s PRO 201 Ca 0.34 2.60 0.05 0.00 0.02 0.00 0.00 61.00 64.01 3grh s PRO 201 Cb 0.16 -3.06 0.17 0.00 0.02 0.00 0.00 34.50 31.78 3grh s PRO 201 CO -0.15 -0.73 0.50 0.00 -0.33 0.00 0.00 177.00 176.30 3grh s ALA 202 N 0.91 -0.89 0.20 -1.55 0.00 -0.77 -0.48 121.76 119.18 3grh s ALA 202 Ca 0.72 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 51.50 3grh s ALA 202 Cb -0.49 -2.27 -0.08 0.00 0.00 0.00 0.00 23.12 20.28 3grh s ALA 202 CO 0.36 -2.16 1.21 0.08 0.00 0.00 0.00 175.76 175.25 3grh s VAL 203 N 1.13 3.48 -0.12 0.00 1.01 -1.23 -4.44 120.40 120.23 3grh s VAL 203 Ca 0.23 1.26 -0.04 0.00 0.00 0.00 0.00 61.98 63.43 3grh s VAL 203 Cb -0.06 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 3grh s VAL 203 CO -0.07 0.21 -0.08 0.00 0.00 0.00 0.00 175.10 175.16 3grh h ALA 204 N 5.12 0.00 -3.30 5.51 0.00 -1.10 -2.44 119.26 123.05 3grh h ALA 204 Ca -0.45 -0.23 -0.59 0.00 0.00 0.00 0.00 54.91 53.63 3grh h ALA 204 Cb 1.21 0.23 -0.34 0.00 0.00 0.00 0.00 17.79 18.90 3grh h ALA 204 CO 0.74 0.23 -0.84 -1.17 0.00 0.00 0.00 179.25 178.21 3grh s LEU 205 N -8.34 1.79 -0.11 0.00 2.96 -0.93 -1.76 118.68 112.29 3grh s LEU 205 Ca -0.07 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 3grh s LEU 205 Cb 0.01 -1.12 -0.01 0.00 0.50 0.00 0.00 46.19 45.57 3grh s LEU 205 CO 0.10 0.05 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.38 3grh s ARG 206 N 0.82 3.16 -0.05 1.98 3.52 0.40 -1.55 118.95 127.22 3grh s ARG 206 Ca -0.10 -0.80 0.02 0.00 -0.13 0.00 0.00 55.73 54.73 3grh s ARG 206 Cb -0.16 -2.43 0.01 0.00 -1.56 0.00 0.00 34.95 30.81 3grh s ARG 206 CO 0.01 0.21 -0.10 -0.08 -0.81 0.00 0.00 175.30 174.54 3grh s THR 207 N 0.30 0.92 -0.20 4.11 -1.32 -0.72 -1.19 115.64 117.54 3grh s THR 207 Ca -0.14 -0.36 0.03 0.00 -1.21 0.00 0.00 61.69 60.00 3grh s THR 207 Cb -0.17 -0.86 -0.01 0.00 -1.51 0.00 0.00 72.50 69.95 3grh s THR 207 CO 0.07 0.31 0.25 0.47 -2.21 0.00 0.00 174.62 173.51 3grh n ASP 208 N 3.81 0.44 -4.84 8.08 8.00 0.07 -2.06 116.55 130.06 3grh n ASP 208 Ca -0.23 -0.72 -0.31 0.00 0.71 0.00 0.00 54.79 54.24 3grh n ASP 208 Cb 0.52 0.72 0.03 0.00 -0.02 0.00 0.00 41.12 42.37 3grh n ASP 208 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3grh s GLY 209 N -0.98 1.72 0.28 0.44 0.00 -1.26 -4.70 107.32 102.82 3grh s GLY 209 Ca 0.02 0.05 -0.05 0.00 0.00 0.00 0.00 44.72 44.74 3grh s GLY 209 CO 0.09 0.34 0.55 -0.35 0.00 0.00 0.00 173.10 173.73 3grh s ASP 210 N -3.82 6.45 -1.11 1.64 2.15 -1.26 -4.36 116.67 116.36 3grh s ASP 210 Ca 0.57 0.72 -0.03 0.00 0.43 0.00 0.00 52.55 54.24 3grh s ASP 210 Cb -0.13 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 3grh s ASP 210 CO 0.52 -0.19 0.94 0.00 -0.17 0.00 0.00 175.17 176.28 3grh n GLN 211 N -0.89 -6.29 -3.70 4.34 6.02 0.11 -0.58 117.38 116.40 3grh n GLN 211 Ca -0.02 0.74 -0.37 0.00 -0.01 0.00 0.00 57.00 57.35 3grh n GLN 211 Cb 0.54 -5.48 -0.06 0.00 1.02 0.00 0.00 30.24 26.25 3grh n GLN 211 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3grh s VAL 212 N -3.31 5.34 -0.11 5.09 1.01 -0.94 -3.21 120.40 124.27 3grh s VAL 212 Ca 0.19 0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.62 3grh s VAL 212 Cb -0.08 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.78 3grh s VAL 212 CO 0.64 0.54 -0.17 -1.10 0.00 0.00 0.00 175.10 175.02 3grh s GLN 213 N -0.55 2.40 -0.18 2.72 -0.21 -0.41 -0.90 119.66 122.54 3grh s GLN 213 Ca 0.17 -0.63 0.01 0.00 0.02 0.00 0.00 55.36 54.92 3grh s GLN 213 Cb -0.13 -2.01 0.03 0.00 1.00 0.00 0.00 33.01 31.90 3grh s GLN 213 CO 0.06 -0.05 -0.12 0.42 -2.12 0.00 0.00 175.29 173.48 3grh s ILE 214 N 0.93 1.63 -0.06 1.08 1.01 -0.18 -1.23 121.20 124.39 3grh s ILE 214 Ca -0.07 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.75 3grh s ILE 214 Cb -0.15 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.72 3grh s ILE 214 CO -0.01 0.31 -0.09 0.21 0.00 0.00 0.00 174.94 175.36 3grh s ASN 215 N 1.43 1.48 -1.25 3.58 3.84 -0.02 -0.70 114.94 123.30 3grh s ASN 215 Ca 0.02 -0.23 -0.04 0.00 0.21 0.00 0.00 52.86 52.82 3grh s ASN 215 Cb -0.15 -0.68 -0.01 0.00 -0.55 0.00 0.00 41.25 39.87 3grh s ASN 215 CO -0.09 -0.01 0.75 -3.20 -2.79 0.00 0.00 177.10 171.75 3grh n ASN 216 N 3.99 -2.34 -4.43 -4.21 5.15 -0.56 -2.79 115.26 110.06 3grh n ASN 216 Ca -0.23 -0.83 -0.30 0.00 -0.60 0.00 0.00 54.58 52.63 3grh n ASN 216 Cb 0.51 -4.14 -0.13 0.00 -0.53 0.00 0.00 39.78 35.49 3grh n ASN 216 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3grh s VAL 217 N -3.60 2.57 -0.20 3.44 1.01 -1.26 -0.97 120.40 121.39 3grh s VAL 217 Ca 0.11 -1.40 -0.07 0.00 0.00 0.00 0.00 61.98 60.62 3grh s VAL 217 Cb -0.03 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3grh s VAL 217 CO 0.81 0.25 0.06 0.20 0.00 0.00 0.00 175.10 176.42 3grh s ASN 218 N -1.66 5.45 -0.27 3.32 0.01 -0.61 -1.60 114.94 119.58 3grh s ASN 218 Ca 0.15 -0.01 0.01 0.00 -0.71 0.00 0.00 52.86 52.29 3grh s ASN 218 Cb -0.10 -1.95 0.05 0.00 0.41 0.00 0.00 41.25 39.66 3grh s ASN 218 CO 0.06 0.11 -0.08 -0.63 -1.51 0.00 0.00 177.10 175.05 3grh s ILE 219 N 0.76 2.51 -0.13 0.60 1.01 -0.16 -0.86 121.20 124.92 3grh s ILE 219 Ca 0.03 -1.43 0.02 0.00 0.00 0.00 0.00 60.65 59.27 3grh s ILE 219 Cb -0.13 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 39.92 3grh s ILE 219 CO 0.02 0.02 -0.20 -0.76 0.00 0.00 0.00 174.94 174.02 3grh s LEU 220 N 1.19 2.26 0.00 2.97 1.43 -0.24 -1.48 118.68 124.81 3grh s LEU 220 Ca -0.06 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 3grh s LEU 220 Cb -0.19 -1.49 0.00 0.00 0.03 0.00 0.00 46.19 44.54 3grh s LEU 220 CO -0.04 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.25 3grh n GLY 221 N 3.90 2.64 0.00 -3.19 0.00 -0.83 -2.08 105.19 105.62 3grh n GLY 221 Ca -0.19 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3grh n GLY 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3grh n ARG 222 N 0.00 0.00 -3.31 1.61 5.12 -1.26 -3.72 116.66 115.10 3grh n ARG 222 Ca 0.00 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.53 3grh n ARG 222 Cb 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.23 3grh n ARG 222 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3grh s GLN 223 N 0.00 4.21 -0.96 5.56 0.74 -1.26 -0.50 119.66 127.45 3grh s GLN 223 Ca 0.00 0.34 -0.03 0.00 0.05 0.00 0.00 55.36 55.72 3grh s GLN 223 Cb 0.00 -3.53 0.00 0.00 1.10 0.00 0.00 33.01 30.58 3grh s GLN 223 CO 0.00 -0.05 0.82 0.09 -0.55 0.00 0.00 175.29 175.60 3grh n ASN 224 N 4.46 -3.46 -0.14 6.67 4.13 -0.65 -1.84 115.26 124.43 3grh n ASN 224 Ca -0.06 -0.44 -0.04 0.00 1.68 0.00 0.00 54.58 55.72 3grh n ASN 224 Cb 0.51 -3.97 0.03 0.00 -1.54 0.00 0.00 39.78 34.81 3grh n ASN 224 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 3grh h THR 225 N -1.71 0.56 -3.21 3.41 2.02 -1.68 -3.33 112.91 108.98 3grh h THR 225 Ca -0.44 -0.01 -0.65 0.00 0.77 0.00 0.00 66.41 66.08 3grh h THR 225 Cb 1.27 0.54 -0.34 0.00 -1.74 0.00 0.00 68.15 67.88 3grh h THR 225 CO 0.40 0.00 -0.86 0.12 0.37 0.00 0.00 175.52 175.55 3grh s PHE 226 N -6.21 2.50 -0.11 3.16 5.36 -0.31 -0.74 117.98 121.63 3grh s PHE 226 Ca -0.14 -1.26 0.00 0.00 -0.96 0.00 0.00 56.93 54.58 3grh s PHE 226 Cb 0.15 -1.72 0.02 0.00 -0.34 0.00 0.00 43.02 41.13 3grh s PHE 226 CO 0.72 -0.59 -0.10 0.12 -1.46 0.00 0.00 175.22 173.90 3grh s PHE 227 N 0.88 1.63 -0.03 10.12 5.36 -0.59 -1.18 117.98 134.16 3grh s PHE 227 Ca -0.06 -0.79 0.00 0.00 -0.96 0.00 0.00 56.93 55.12 3grh s PHE 227 Cb -0.15 -1.27 -0.03 0.00 -0.34 0.00 0.00 43.02 41.22 3grh s PHE 227 CO -0.02 -0.49 -0.00 0.14 -1.46 0.00 0.00 175.22 173.39 3grh s VAL 228 N 1.39 4.18 0.21 3.12 -7.23 -0.05 -1.76 120.40 120.27 3grh s VAL 228 Ca -0.00 -0.48 -0.00 0.00 -1.81 0.00 0.00 61.98 59.69 3grh s VAL 228 Cb -0.13 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 3grh s VAL 228 CO -0.06 0.47 0.12 0.42 -0.31 0.00 0.00 175.10 175.74 3grh s THR 229 N -1.00 0.14 -0.20 5.32 -4.23 -0.87 -1.05 115.64 113.75 3grh s THR 229 Ca 0.17 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.83 3grh s THR 229 Cb -0.11 -2.53 0.50 0.00 1.34 0.00 0.00 72.50 71.70 3grh s THR 229 CO 0.07 -0.00 1.41 -0.46 -0.54 0.00 0.00 174.62 175.09 3grh n ASN 230 N -0.32 3.42 -4.75 3.99 6.94 -1.20 -4.25 115.26 119.10 3grh n ASN 230 Ca 0.01 -3.20 -0.37 0.00 -0.02 0.00 0.00 54.58 51.01 3grh n ASN 230 Cb 0.66 -0.56 0.04 0.00 -2.36 0.00 0.00 39.78 37.57 3grh n ASN 230 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3grh s SER 231 N -2.16 5.10 0.00 0.53 0.15 -1.26 -4.41 113.70 111.65 3grh s SER 231 Ca 0.42 2.55 0.00 0.00 0.70 0.00 0.00 55.95 59.62 3grh s SER 231 Cb 0.35 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 3grh s SER 231 CO 0.06 -1.66 0.00 0.61 1.20 0.00 0.00 173.24 173.45 3grh n GLY 232 N 0.68 2.21 0.10 9.45 0.00 -1.26 -4.91 105.19 111.46 3grh n GLY 232 Ca 0.13 -1.88 0.11 0.00 0.00 0.00 0.00 46.02 44.38 3grh n GLY 232 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3grh n VAL 233 N 0.00 0.84 1.15 1.61 0.24 -1.26 -2.83 118.33 118.08 3grh n VAL 233 Ca 0.00 0.20 0.11 0.00 -2.04 0.00 0.00 64.34 62.61 3grh n VAL 233 Cb 0.00 -1.08 0.59 0.00 -1.47 0.00 0.00 33.84 31.88 3grh n VAL 233 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3grh n GLN 234 N -2.06 0.41 -3.54 7.34 6.02 -1.26 -4.91 117.38 119.37 3grh n GLN 234 Ca 0.03 0.06 -0.25 0.00 -0.01 0.00 0.00 57.00 56.83 3grh n GLN 234 Cb 0.23 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.03 3grh n GLN 234 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3grh n ASN 235 N -1.22 -5.83 -3.48 1.08 5.15 -1.13 -5.02 115.26 104.81 3grh n ASN 235 Ca 0.12 -0.85 -0.12 0.00 -0.60 0.00 0.00 54.58 53.13 3grh n ASN 235 Cb 0.16 -3.79 -0.03 0.00 -0.53 0.00 0.00 39.78 35.58 3grh n ASN 235 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3grh s ARG 236 N -5.28 1.02 0.46 1.20 1.70 -1.26 -5.08 118.95 111.71 3grh s ARG 236 Ca 0.38 -0.18 -0.24 0.00 -0.47 0.00 0.00 55.73 55.22 3grh s ARG 236 Cb -0.12 0.47 -0.07 0.00 -0.57 0.00 0.00 34.95 34.66 3grh s ARG 236 CO 0.83 -0.41 1.29 -0.51 -1.08 0.00 0.00 175.30 175.42 3grh s LEU 237 N -2.13 4.07 0.41 -1.89 1.43 -1.26 -3.99 118.68 115.33 3grh s LEU 237 Ca -0.01 2.60 0.07 0.00 -1.03 0.00 0.00 54.13 55.76 3grh s LEU 237 Cb -0.01 -4.08 -0.07 0.00 0.03 0.00 0.00 46.19 42.07 3grh s LEU 237 CO -0.05 -1.06 0.08 -1.61 0.23 0.00 0.00 176.35 173.94 3grh s GLU 238 N -2.53 2.07 0.00 1.70 2.02 -1.26 -4.96 118.70 115.75 3grh s GLU 238 Ca 0.62 -2.01 0.11 0.00 0.02 0.00 0.00 54.97 53.71 3grh s GLU 238 Cb -0.36 -1.77 0.05 0.00 0.10 0.00 0.00 34.13 32.14 3grh s GLU 238 CO 0.45 -0.09 0.78 0.25 0.02 0.00 0.00 175.26 176.67 3grh n THR 239 N -1.09 0.00 -3.09 3.63 -2.24 -1.26 -4.78 114.28 105.45 3grh n THR 239 Ca -0.04 -0.45 -0.16 0.00 -2.27 0.00 0.00 64.05 61.13 3grh n THR 239 Cb 0.66 1.19 -0.01 0.00 -2.10 0.00 0.00 70.33 70.08 3grh n THR 239 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3grh n ASN 240 N 0.28 0.14 -3.64 3.42 2.85 -1.26 -5.07 115.26 111.98 3grh n ASN 240 Ca 0.06 -3.14 -0.08 0.00 -0.11 0.00 0.00 54.58 51.31 3grh n ASN 240 Cb 0.26 -0.09 -0.07 0.00 1.24 0.00 0.00 39.78 41.12 3grh n ASN 240 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 3grh s ARG 241 N -1.81 0.72 -0.58 1.20 3.52 -1.26 -5.12 118.95 115.62 3grh s ARG 241 Ca 0.36 1.14 0.05 0.00 -0.13 0.00 0.00 55.73 57.15 3grh s ARG 241 Cb 0.33 0.20 0.18 0.00 -1.56 0.00 0.00 34.95 34.10 3grh s ARG 241 CO -0.08 -0.13 0.46 0.94 -0.81 0.00 0.00 175.30 175.68 3grh n GLN 242 N 3.86 1.22 -2.14 5.12 -0.06 -1.26 -4.87 117.38 119.25 3grh n GLN 242 Ca -0.18 -3.96 -0.40 0.00 -2.00 0.00 0.00 57.00 50.45 3grh n GLN 242 Cb 0.58 -2.01 -0.02 0.00 -4.06 0.00 0.00 30.24 24.73 3grh n GLN 242 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 3grh s PRO 243 N -0.96 4.31 -0.12 3.69 0.04 -1.26 -4.78 135.00 135.91 3grh s PRO 243 Ca 0.29 2.16 -0.01 0.00 0.04 0.00 0.00 61.00 63.48 3grh s PRO 243 Cb 0.01 -3.02 -0.02 0.00 0.04 0.00 0.00 34.50 31.51 3grh s PRO 243 CO -0.17 -0.21 -0.08 1.03 0.04 0.00 0.00 177.00 177.62 3grh s ARG 244 N -1.86 3.32 -0.01 4.56 0.52 -1.26 -1.36 118.95 122.86 3grh s ARG 244 Ca 0.50 -0.58 0.04 0.00 -0.52 0.00 0.00 55.73 55.17 3grh s ARG 244 Cb -0.38 -2.73 -0.01 0.00 0.52 0.00 0.00 34.95 32.35 3grh s ARG 244 CO 0.51 0.35 -0.13 0.99 0.02 0.00 0.00 175.30 177.04 3grh s THR 245 N 0.03 1.04 -0.17 0.02 2.01 -0.10 -0.71 115.64 117.76 3grh s THR 245 Ca -0.02 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.43 3grh s THR 245 Cb -0.14 -0.87 0.01 0.00 0.01 0.00 0.00 72.50 71.51 3grh s THR 245 CO 0.03 0.30 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.87 3grh s LEU 246 N -0.28 2.31 -0.22 4.42 2.96 -0.08 -1.27 118.68 126.53 3grh s LEU 246 Ca 0.05 -0.56 -0.01 0.00 -0.22 0.00 0.00 54.13 53.39 3grh s LEU 246 Cb -0.05 -1.53 0.02 0.00 0.50 0.00 0.00 46.19 45.13 3grh s LEU 246 CO -0.00 0.03 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.26 3grh s VAL 247 N 1.10 2.64 0.04 1.68 1.01 0.24 -1.01 120.40 126.11 3grh s VAL 247 Ca 0.00 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.15 3grh s VAL 247 Cb -0.14 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 3grh s VAL 247 CO -0.06 0.37 -0.21 0.42 0.00 0.00 0.00 175.10 175.62 3grh s THR 248 N 1.33 1.67 -1.67 3.92 -4.23 0.12 -0.70 115.64 116.09 3grh s THR 248 Ca 0.03 -1.18 -0.02 0.00 -1.18 0.00 0.00 61.69 59.34 3grh s THR 248 Cb -0.15 -1.44 0.00 0.00 1.34 0.00 0.00 72.50 72.25 3grh s THR 248 CO -0.07 0.22 0.20 0.59 -0.54 0.00 0.00 174.62 175.02 3grh n ASN 249 N 1.89 -5.89 -4.74 3.99 5.03 -0.64 -1.50 115.26 113.40 3grh n ASN 249 Ca -0.17 -0.11 -0.27 0.00 0.87 0.00 0.00 54.58 54.90 3grh n ASN 249 Cb 0.53 -4.83 -0.07 0.00 -1.02 0.00 0.00 39.78 34.39 3grh n ASN 249 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3grh s SER 250 N -2.30 4.29 -0.07 6.41 0.01 -1.23 -3.03 113.70 117.79 3grh s SER 250 Ca 0.10 -1.28 0.01 0.00 1.31 0.00 0.00 55.95 56.09 3grh s SER 250 Cb -0.04 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.07 3grh s SER 250 CO 0.12 -0.67 -0.07 -0.47 0.41 0.00 0.00 173.24 172.57 3grh s TYR 251 N -2.70 1.11 -0.08 2.43 5.04 -0.63 -1.20 117.35 121.32 3grh s TYR 251 Ca 0.32 -0.42 0.01 0.00 -2.44 0.00 0.00 57.07 54.54 3grh s TYR 251 Cb 0.04 -0.92 0.02 0.00 0.35 0.00 0.00 41.96 41.44 3grh s TYR 251 CO 0.18 -0.30 -0.09 0.42 -1.34 0.00 0.00 175.55 174.42 3grh s ILE 252 N 1.13 0.95 -0.00 3.14 1.01 -0.01 -0.99 121.20 126.43 3grh s ILE 252 Ca -0.07 -0.31 0.07 0.00 0.00 0.00 0.00 60.65 60.34 3grh s ILE 252 Cb -0.14 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 3grh s ILE 252 CO -0.01 0.33 -0.22 -0.70 0.00 0.00 0.00 174.94 174.34 3grh s GLU 253 N 1.16 1.70 0.00 2.79 2.12 -0.55 -1.16 118.70 124.76 3grh s GLU 253 Ca -0.06 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.45 3grh s GLU 253 Cb -0.14 -1.68 0.00 0.00 0.26 0.00 0.00 34.13 32.57 3grh s GLU 253 CO -0.02 0.45 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 3grh n GLY 254 N 2.39 0.77 1.37 -1.50 0.00 -0.77 -1.97 105.19 105.47 3grh n GLY 254 Ca -0.16 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3grh n GLY 254 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3grh n ASP 255 N -0.02 0.17 -4.53 1.61 5.68 0.35 -1.17 116.55 118.63 3grh n ASP 255 Ca 0.00 0.07 -0.38 0.00 -0.50 0.00 0.00 54.79 53.98 3grh n ASP 255 Cb 0.00 -0.02 -0.11 0.00 -1.14 0.00 0.00 41.12 39.85 3grh n ASP 255 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3grh s VAL 256 N -1.25 4.98 -1.08 2.12 1.01 -1.23 -1.05 120.40 123.90 3grh s VAL 256 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 3grh s VAL 256 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3grh s VAL 256 CO 0.00 0.24 0.85 0.47 0.00 0.00 0.00 175.10 176.66 3grh n ASP 257 N 5.02 -6.04 -0.22 3.32 8.00 -0.15 -1.63 116.55 124.85 3grh n ASP 257 Ca -0.14 -0.84 -0.08 0.00 0.71 0.00 0.00 54.79 54.44 3grh n ASP 257 Cb 0.51 -4.26 0.03 0.00 -0.02 0.00 0.00 41.12 37.38 3grh n ASP 257 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3grh h ILE 258 N -1.41 1.24 -3.58 0.53 2.04 -1.02 -2.92 117.51 112.39 3grh h ILE 258 Ca -0.61 -0.79 -0.66 0.00 1.00 0.00 0.00 64.86 63.80 3grh h ILE 258 Cb 1.32 0.61 -0.36 0.00 -0.74 0.00 0.00 36.82 37.65 3grh h ILE 258 CO 0.45 0.30 -0.82 -0.69 0.00 0.00 0.00 178.15 177.40 3grh s VAL 259 N -5.46 2.05 0.11 1.67 1.01 -0.04 -1.16 120.40 118.58 3grh s VAL 259 Ca -0.13 -1.35 0.06 0.00 0.00 0.00 0.00 61.98 60.57 3grh s VAL 259 Cb 0.13 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3grh s VAL 259 CO 0.81 0.15 -0.16 -0.44 0.00 0.00 0.00 175.10 175.46 3grh s SER 260 N 1.20 2.11 0.00 3.32 0.01 -0.33 -0.12 113.70 119.89 3grh s SER 260 Ca -0.04 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.47 3grh s SER 260 Cb -0.18 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 65.97 3grh s SER 260 CO -0.08 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.10 3grh n GLY 261 N 0.76 0.53 3.19 3.44 0.00 -0.77 -0.87 105.19 111.47 3grh n GLY 261 Ca -0.17 -2.22 -0.33 0.00 0.00 0.00 0.00 46.02 43.30 3grh n GLY 261 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3grh s ARG 262 N -0.38 3.08 0.00 1.61 3.52 -0.21 -0.68 118.95 125.89 3grh s ARG 262 Ca 0.00 -0.82 0.00 0.00 -0.13 0.00 0.00 55.73 54.78 3grh s ARG 262 Cb 0.00 -2.52 0.00 0.00 -1.56 0.00 0.00 34.95 30.87 3grh s ARG 262 CO 0.00 -0.04 0.00 0.41 -0.81 0.00 0.00 175.30 174.86 3grh n GLY 263 N 4.18 3.41 3.56 8.12 0.00 -1.26 -3.25 105.19 119.95 3grh n GLY 263 Ca -0.20 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 3grh n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3grh s ALA 264 N -2.00 3.51 -0.06 4.61 0.00 -0.47 -4.49 121.76 122.86 3grh s ALA 264 Ca 0.00 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 50.94 3grh s ALA 264 Cb 0.00 -2.87 0.01 0.00 0.00 0.00 0.00 23.12 20.26 3grh s ALA 264 CO 0.00 -1.03 -0.12 0.08 0.00 0.00 0.00 175.76 174.70 3grh s VAL 265 N 2.17 1.09 -0.19 0.00 1.01 -0.60 -0.93 120.40 122.96 3grh s VAL 265 Ca 0.15 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 3grh s VAL 265 Cb -0.16 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 3grh s VAL 265 CO 0.12 0.34 -0.04 -0.69 0.00 0.00 0.00 175.10 174.83 3grh s VAL 266 N 0.59 3.62 -0.25 2.92 1.01 -0.39 -0.76 120.40 127.14 3grh s VAL 266 Ca -0.13 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 3grh s VAL 266 Cb -0.15 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 3grh s VAL 266 CO 0.03 0.46 0.02 -0.36 0.00 0.00 0.00 175.10 175.24 3grh s PHE 267 N 0.90 3.04 -0.08 5.22 0.08 0.39 -0.59 117.98 126.95 3grh s PHE 267 Ca -0.00 -0.82 0.04 0.00 0.12 0.00 0.00 56.93 56.27 3grh s PHE 267 Cb -0.15 -2.17 -0.00 0.00 -0.57 0.00 0.00 43.02 40.13 3grh s PHE 267 CO 0.01 -0.50 -0.22 0.34 -0.10 0.00 0.00 175.22 174.74 3grh s ASP 268 N 1.52 2.85 -1.53 1.36 3.68 0.13 -0.98 116.67 123.70 3grh s ASP 268 Ca 0.05 -0.50 -0.07 0.00 2.13 0.00 0.00 52.55 54.16 3grh s ASP 268 Cb -0.15 -1.11 0.06 0.00 -1.45 0.00 0.00 42.92 40.27 3grh s ASP 268 CO -0.00 0.17 0.54 0.59 0.13 0.00 0.00 175.17 176.60 3grh n ASN 269 N 3.35 -1.45 -4.65 -0.34 3.02 -1.01 -1.63 115.26 112.56 3grh n ASN 269 Ca -0.19 -1.02 -0.33 0.00 -0.03 0.00 0.00 54.58 53.01 3grh n ASN 269 Cb 0.53 -2.87 -0.10 0.00 -0.61 0.00 0.00 39.78 36.73 3grh n ASN 269 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3grh s THR 270 N -3.73 4.04 -0.20 3.41 2.01 -1.26 -2.35 115.64 117.56 3grh s THR 270 Ca 0.29 -0.50 -0.09 0.00 0.31 0.00 0.00 61.69 61.71 3grh s THR 270 Cb -0.16 -2.73 -0.05 0.00 0.01 0.00 0.00 72.50 69.57 3grh s THR 270 CO 0.91 0.49 0.11 -0.70 -0.69 0.00 0.00 174.62 174.74 3grh s GLU 271 N -1.18 4.09 -0.19 4.92 2.12 -0.34 -1.67 118.70 126.45 3grh s GLU 271 Ca 0.16 -0.27 -0.04 0.00 0.36 0.00 0.00 54.97 55.18 3grh s GLU 271 Cb -0.11 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.90 3grh s GLU 271 CO 0.06 0.26 -0.04 -0.06 -0.54 0.00 0.00 175.26 174.93 3grh s PHE 272 N 0.46 2.97 -0.14 5.30 0.08 0.11 -0.83 117.98 125.94 3grh s PHE 272 Ca 0.06 -0.64 0.02 0.00 0.12 0.00 0.00 56.93 56.49 3grh s PHE 272 Cb -0.12 -2.04 0.01 0.00 -0.57 0.00 0.00 43.02 40.31 3grh s PHE 272 CO -0.00 -0.32 -0.20 0.50 -0.10 0.00 0.00 175.22 175.09 3grh s ARG 273 N 0.99 2.84 -0.14 0.44 6.06 -0.30 -1.22 118.95 127.62 3grh s ARG 273 Ca 0.00 -0.79 -0.19 0.00 -2.50 0.00 0.00 55.73 52.25 3grh s ARG 273 Cb -0.15 -2.34 -0.04 0.00 0.06 0.00 0.00 34.95 32.49 3grh s ARG 273 CO 0.01 -0.06 0.54 0.08 -2.50 0.00 0.00 175.30 173.37 3grh s VAL 274 N 0.94 5.13 0.10 7.11 1.01 -0.09 -1.85 120.40 132.73 3grh s VAL 274 Ca -0.05 1.06 0.04 0.00 0.00 0.00 0.00 61.98 63.03 3grh s VAL 274 Cb -0.15 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 3grh s VAL 274 CO -0.04 0.25 0.06 0.68 0.00 0.00 0.00 175.10 176.05 3grh s VAL 275 N 1.05 4.34 -0.17 2.92 -7.23 -0.32 -3.25 120.40 117.75 3grh s VAL 275 Ca 0.28 -0.89 0.14 0.00 -1.81 0.00 0.00 61.98 59.69 3grh s VAL 275 Cb -0.16 -3.10 0.39 0.00 0.56 0.00 0.00 36.38 34.07 3grh s VAL 275 CO 0.11 0.09 1.20 -0.46 -0.31 0.00 0.00 175.10 175.73 3grh n ASN 276 N 0.38 1.69 0.13 4.85 6.94 -1.26 -4.58 115.26 123.41 3grh n ASN 276 Ca -0.09 -3.52 0.01 0.00 -0.02 0.00 0.00 54.58 50.96 3grh n ASN 276 Cb 0.52 -0.48 0.03 0.00 -2.36 0.00 0.00 39.78 37.49 3grh n ASN 276 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 3grh h SER 277 N 0.82 0.00 0.01 0.53 4.64 -1.98 -3.35 113.55 114.22 3grh h SER 277 Ca -0.03 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.90 3grh h SER 277 Cb 1.11 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.14 3grh h SER 277 CO 0.01 0.60 -2.44 -1.14 -0.87 0.00 0.00 176.83 172.99 3grh n ARG 278 N -3.29 0.65 -4.08 4.77 0.63 -1.26 -4.97 116.66 109.10 3grh n ARG 278 Ca 0.01 0.18 -0.16 0.00 -0.92 0.00 0.00 57.85 56.96 3grh n ARG 278 Cb 0.76 -1.53 -0.15 0.00 0.45 0.00 0.00 32.46 31.99 3grh n ARG 278 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3grh s THR 279 N -2.52 0.32 -1.53 5.15 -1.32 -1.26 -3.89 115.64 110.60 3grh s THR 279 Ca -0.35 -0.13 0.12 0.00 -1.21 0.00 0.00 61.69 60.13 3grh s THR 279 Cb 0.10 -0.30 0.10 0.00 -1.51 0.00 0.00 72.50 70.88 3grh s THR 279 CO 0.60 0.11 0.89 0.00 -2.21 0.00 0.00 174.62 174.01 3grh n GLN 280 N 3.25 0.72 0.05 7.08 6.02 -1.26 -4.38 117.38 128.85 3grh n GLN 280 Ca -0.16 -1.24 0.11 0.00 -0.01 0.00 0.00 57.00 55.70 3grh n GLN 280 Cb 0.57 -1.24 -0.08 0.00 1.02 0.00 0.00 30.24 30.51 3grh n GLN 280 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3grh n GLN 281 N 0.69 0.63 -3.51 -1.09 10.64 -1.26 -4.99 117.38 118.50 3grh n GLN 281 Ca 0.07 -0.03 -0.13 0.00 -1.83 0.00 0.00 57.00 55.09 3grh n GLN 281 Cb 0.31 -1.68 -0.04 0.00 -0.86 0.00 0.00 30.24 27.97 3grh n GLN 281 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.06 173.40 3grh s GLU 282 N -3.42 0.95 -0.26 2.61 -1.05 -1.26 -5.00 118.70 111.26 3grh s GLU 282 Ca -0.04 -0.07 -0.26 0.00 -0.15 0.00 0.00 54.97 54.45 3grh s GLU 282 Cb 0.12 0.44 0.11 0.00 -0.44 0.00 0.00 34.13 34.36 3grh s GLU 282 CO 0.85 -0.36 0.96 0.00 0.95 0.00 0.00 175.26 177.66 3grh s ALA 283 N -2.24 -1.92 -0.11 -0.84 0.00 -1.26 -4.69 121.76 110.70 3grh s ALA 283 Ca -0.02 1.86 -0.04 0.00 0.00 0.00 0.00 51.96 53.76 3grh s ALA 283 Cb -0.01 -1.27 0.06 0.00 0.00 0.00 0.00 23.12 21.90 3grh s ALA 283 CO -0.02 -0.27 0.21 0.71 0.00 0.00 0.00 175.76 176.40 3grh s TYR 284 N 0.09 -0.31 -0.05 0.00 2.02 -0.21 -1.03 117.35 117.85 3grh s TYR 284 Ca 0.02 0.80 -0.22 0.00 -0.37 0.00 0.00 57.07 57.30 3grh s TYR 284 Cb -0.04 -0.13 -0.16 0.00 -0.40 0.00 0.00 41.96 41.22 3grh s TYR 284 CO -0.04 -0.31 0.90 0.28 -1.57 0.00 0.00 175.55 174.82 3grh h VAL 285 N 6.30 0.92 -3.44 0.71 2.07 -1.31 -0.29 116.25 121.20 3grh h VAL 285 Ca -0.15 -1.16 -0.66 0.00 0.82 0.00 0.00 66.70 65.55 3grh h VAL 285 Cb 1.12 1.53 -0.23 0.00 -1.52 0.00 0.00 31.29 32.19 3grh h VAL 285 CO 0.15 0.24 -0.72 -0.36 0.02 0.00 0.00 177.57 176.90 3grh s PHE 286 N -3.45 2.90 -0.47 1.57 0.08 -0.03 -0.86 117.98 117.70 3grh s PHE 286 Ca -0.13 -0.36 0.07 0.00 0.12 0.00 0.00 56.93 56.63 3grh s PHE 286 Cb 0.00 -1.84 0.24 0.00 -0.57 0.00 0.00 43.02 40.85 3grh s PHE 286 CO 0.50 -0.01 0.56 0.00 -0.10 0.00 0.00 175.22 176.16 3grh n ALA 287 N 3.17 2.97 -1.77 5.36 0.00 0.83 -0.95 120.51 130.11 3grh n ALA 287 Ca -0.18 -3.79 -0.38 0.00 0.00 0.00 0.00 53.44 49.10 3grh n ALA 287 Cb 0.53 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 3grh n ALA 287 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3grh s PRO 288 N -1.39 3.96 -0.22 0.00 0.04 -1.25 -1.85 135.00 134.29 3grh s PRO 288 Ca 0.36 1.83 0.12 0.00 0.04 0.00 0.00 61.00 63.35 3grh s PRO 288 Cb 0.14 -2.59 0.44 0.00 0.04 0.00 0.00 34.50 32.52 3grh s PRO 288 CO -0.10 -0.40 1.31 0.00 0.04 0.00 0.00 177.00 177.85 3grh n ALA 289 N -0.10 3.60 -1.72 8.56 0.00 0.15 -0.83 120.51 130.17 3grh n ALA 289 Ca 0.05 -3.07 -0.42 0.00 0.00 0.00 0.00 53.44 50.00 3grh n ALA 289 Cb 0.47 -0.51 -0.01 0.00 0.00 0.00 0.00 19.45 19.39 3grh n ALA 289 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3grh n THR 290 N -1.12 1.40 -2.20 0.00 -1.04 -1.26 -4.66 114.28 105.40 3grh n THR 290 Ca 0.23 -0.35 -0.37 0.00 -2.04 0.00 0.00 64.05 61.52 3grh n THR 290 Cb 0.81 -1.76 -0.00 0.00 -1.82 0.00 0.00 70.33 67.56 3grh n THR 290 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3grh s LEU 291 N -0.75 4.01 0.54 -4.42 1.43 -1.26 -0.65 118.68 117.58 3grh s LEU 291 Ca 0.61 2.37 0.32 0.00 -1.03 0.00 0.00 54.13 56.41 3grh s LEU 291 Cb -0.54 -4.22 1.34 0.00 0.03 0.00 0.00 46.19 42.79 3grh s LEU 291 CO 0.55 -0.97 1.98 0.28 0.23 0.00 0.00 176.35 178.41 3grh h SER 292 N 2.04 0.00 0.53 2.29 0.02 -1.16 -1.83 113.55 115.44 3grh h SER 292 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3grh h SER 292 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3grh h SER 292 CO 0.60 0.04 -0.17 -0.46 -1.14 0.00 0.00 176.83 175.69 3grh n ASN 293 N -3.15 0.39 -4.70 3.07 6.94 -1.26 -4.84 115.26 111.71 3grh n ASN 293 Ca 0.00 -0.28 -0.35 0.00 -0.02 0.00 0.00 54.58 53.94 3grh n ASN 293 Cb 0.31 -0.09 -0.09 0.00 -2.36 0.00 0.00 39.78 37.56 3grh n ASN 293 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3grh s ILE 294 N -2.71 4.94 -0.63 1.53 -1.09 -0.69 -5.02 121.20 117.54 3grh s ILE 294 Ca 0.22 0.01 0.24 0.00 -2.23 0.00 0.00 60.65 58.88 3grh s ILE 294 Cb 0.19 -3.20 -0.00 0.00 -1.58 0.00 0.00 42.46 37.87 3grh s ILE 294 CO 0.54 0.51 1.23 -1.22 -1.23 0.00 0.00 174.94 174.76 3grh n TYR 295 N 3.05 0.47 -3.96 3.97 4.01 -1.26 -4.71 117.16 118.73 3grh n TYR 295 Ca -0.17 0.14 -0.29 0.00 -0.16 0.00 0.00 57.90 57.42 3grh n TYR 295 Cb 0.53 -0.59 -0.17 0.00 -0.31 0.00 0.00 39.34 38.80 3grh n TYR 295 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3grh s TYR 296 N -3.18 1.87 0.00 -0.72 2.02 -1.26 -5.00 117.35 111.09 3grh s TYR 296 Ca 0.05 -1.05 0.00 0.00 -0.37 0.00 0.00 57.07 55.70 3grh s TYR 296 Cb 0.14 -1.43 0.00 0.00 -0.40 0.00 0.00 41.96 40.27 3grh s TYR 296 CO 0.75 -0.61 0.00 0.41 -1.57 0.00 0.00 175.55 174.52 3grh n GLY 297 N 4.84 0.45 3.67 0.71 0.00 -1.26 -4.41 105.19 109.19 3grh n GLY 297 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 3grh n GLY 297 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3grh s PHE 298 N 1.12 3.15 -0.10 1.61 0.08 -0.25 -1.56 117.98 122.03 3grh s PHE 298 Ca 0.00 0.16 0.01 0.00 0.12 0.00 0.00 56.93 57.22 3grh s PHE 298 Cb 0.00 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.66 3grh s PHE 298 CO 0.00 0.43 -0.11 -1.17 -0.10 0.00 0.00 175.22 174.26 3grh s LEU 299 N -0.77 1.49 -0.21 -0.37 2.96 0.06 -1.32 118.68 120.52 3grh s LEU 299 Ca 0.12 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.66 3grh s LEU 299 Cb -0.11 -0.90 -0.01 0.00 0.50 0.00 0.00 46.19 45.67 3grh s LEU 299 CO 0.02 -0.03 -0.05 0.00 -1.32 0.00 0.00 176.35 174.97 3grh s ALA 300 N 1.17 2.80 -0.05 5.97 0.00 -0.13 -0.46 121.76 131.05 3grh s ALA 300 Ca -0.04 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.81 3grh s ALA 300 Cb -0.14 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.32 3grh s ALA 300 CO -0.03 -0.37 -0.14 0.54 0.00 0.00 0.00 175.76 175.76 3grh s VAL 301 N 1.37 1.26 -1.40 0.00 0.11 -0.15 -0.58 120.40 121.01 3grh s VAL 301 Ca 0.04 -0.59 -0.10 0.00 -2.93 0.00 0.00 61.98 58.41 3grh s VAL 301 Cb -0.14 -1.12 0.03 0.00 -1.53 0.00 0.00 36.38 33.62 3grh s VAL 301 CO -0.03 0.38 1.12 0.59 -3.33 0.00 0.00 175.10 173.83 3grh n ASN 302 N 3.47 -5.77 -4.75 3.54 5.03 -1.05 -2.54 115.26 113.20 3grh n ASN 302 Ca -0.20 -0.61 -0.27 0.00 0.87 0.00 0.00 54.58 54.37 3grh n ASN 302 Cb 0.53 -4.73 -0.07 0.00 -1.02 0.00 0.00 39.78 34.49 3grh n ASN 302 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3grh s SER 303 N -3.37 4.33 -0.05 6.41 0.01 -1.26 -2.39 113.70 117.38 3grh s SER 303 Ca 0.58 -1.24 0.02 0.00 1.31 0.00 0.00 55.95 56.62 3grh s SER 303 Cb -0.27 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 65.81 3grh s SER 303 CO 0.76 -0.67 -0.11 -0.13 0.41 0.00 0.00 173.24 173.50 3grh s ARG 304 N -3.93 1.44 -0.13 12.44 0.52 -0.67 -1.15 118.95 127.47 3grh s ARG 304 Ca 0.33 -0.37 0.01 0.00 -0.52 0.00 0.00 55.73 55.18 3grh s ARG 304 Cb 0.03 -1.24 0.02 0.00 0.52 0.00 0.00 34.95 34.28 3grh s ARG 304 CO 0.18 0.05 -0.14 -0.06 0.02 0.00 0.00 175.30 175.36 3grh s PHE 305 N 0.53 2.07 -0.04 -0.53 0.08 -0.20 -0.72 117.98 119.17 3grh s PHE 305 Ca -0.11 -1.09 0.03 0.00 0.12 0.00 0.00 56.93 55.88 3grh s PHE 305 Cb -0.14 -1.52 0.01 0.00 -0.57 0.00 0.00 43.02 40.80 3grh s PHE 305 CO 0.02 -0.59 -0.12 -0.80 -0.10 0.00 0.00 175.22 173.64 3grh s ASN 306 N 1.30 1.59 0.02 1.36 0.01 -0.36 -1.53 114.94 117.32 3grh s ASN 306 Ca 0.00 -0.26 0.02 0.00 -0.71 0.00 0.00 52.86 51.92 3grh s ASN 306 Cb -0.14 -0.54 -0.01 0.00 0.41 0.00 0.00 41.25 40.97 3grh s ASN 306 CO -0.07 0.07 -0.08 0.00 -1.51 0.00 0.00 177.10 175.51 3grh s ALA 307 N 0.33 0.61 0.00 0.60 0.00 -0.97 -0.91 121.76 121.41 3grh s ALA 307 Ca -0.07 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.38 3grh s ALA 307 Cb -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.93 3grh s ALA 307 CO 0.02 0.09 0.13 1.19 0.00 0.00 0.00 175.76 177.18 3grh n PHE 308 N 2.29 0.00 -0.10 0.00 3.01 -1.20 -3.94 117.46 117.52 3grh n PHE 308 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 3grh n PHE 308 Cb 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 3grh n PHE 308 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3grh n GLY 309 N 1.11 0.00 3.22 1.37 0.00 -1.26 -4.65 105.19 104.97 3grh n GLY 309 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3grh n GLY 309 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3grh n ASP 310 N 0.41 5.43 -1.09 1.61 8.00 -1.26 -4.47 116.55 125.18 3grh n ASP 310 Ca 0.00 -3.13 -0.11 0.00 0.71 0.00 0.00 54.79 52.26 3grh n ASP 310 Cb 0.00 -1.29 -0.02 0.00 -0.02 0.00 0.00 41.12 39.79 3grh n ASP 310 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3grh n GLY 311 N 2.32 0.40 0.12 0.44 0.00 -1.21 -4.91 105.19 102.35 3grh n GLY 311 Ca 0.24 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 3grh n GLY 311 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3grh h VAL 312 N 0.00 0.95 -3.98 1.61 2.07 -1.83 -3.26 116.25 111.80 3grh h VAL 312 Ca -0.25 -2.34 -0.54 0.00 0.82 0.00 0.00 66.70 64.39 3grh h VAL 312 Cb 1.01 2.59 0.11 0.00 -1.52 0.00 0.00 31.29 33.48 3grh h VAL 312 CO 0.31 0.66 0.69 0.00 0.02 0.00 0.00 177.57 179.25 3grh s ALA 313 N -2.46 3.26 0.21 1.67 0.00 -1.22 -4.55 121.76 118.67 3grh s ALA 313 Ca -0.22 1.42 0.09 0.00 0.00 0.00 0.00 51.96 53.25 3grh s ALA 313 Cb 0.05 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 3grh s ALA 313 CO 0.73 -1.11 -0.18 -0.65 0.00 0.00 0.00 175.76 174.56 3grh s GLN 314 N -2.39 1.43 0.37 0.00 -0.21 -0.20 -0.63 119.66 118.03 3grh s GLN 314 Ca 0.60 -1.58 0.19 0.00 0.02 0.00 0.00 55.36 54.59 3grh s GLN 314 Cb -0.43 -1.42 0.55 0.00 1.00 0.00 0.00 33.01 32.71 3grh s GLN 314 CO 0.55 0.27 1.67 -0.07 -2.12 0.00 0.00 175.29 175.58 3grh h LEU 315 N 2.72 0.00 0.00 2.90 3.38 -0.67 -2.40 115.31 121.24 3grh h LEU 315 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3grh h LEU 315 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3grh h LEU 315 CO 0.57 0.36 0.00 0.61 0.09 0.00 0.00 178.44 180.07 3grh n GLY 316 N 0.55 -1.68 3.53 0.83 0.00 -1.21 -0.85 105.19 106.36 3grh n GLY 316 Ca 0.01 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 3grh n GLY 316 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3grh s ARG 317 N -1.63 0.87 0.28 1.61 1.70 -0.12 -1.13 118.95 120.53 3grh s ARG 317 Ca 0.00 0.07 -0.28 0.00 -0.47 0.00 0.00 55.73 55.05 3grh s ARG 317 Cb 0.00 0.41 -0.09 0.00 -0.57 0.00 0.00 34.95 34.69 3grh s ARG 317 CO 0.00 -0.30 0.99 0.45 -1.08 0.00 0.00 175.30 175.36 3grh s SER 318 N -1.48 7.41 -0.84 -2.89 0.15 -1.26 -3.88 113.70 110.91 3grh s SER 318 Ca -0.04 2.01 -0.15 0.00 0.70 0.00 0.00 55.95 58.47 3grh s SER 318 Cb -0.00 -2.60 0.20 0.00 -1.71 0.00 0.00 66.02 61.90 3grh s SER 318 CO 0.02 -0.02 0.83 -0.22 1.20 0.00 0.00 173.24 175.05 3grh s LEU 319 N -1.57 6.41 -1.31 3.45 2.96 -0.01 -1.40 118.68 127.20 3grh s LEU 319 Ca 0.45 -2.53 -0.12 0.00 -0.22 0.00 0.00 54.13 51.71 3grh s LEU 319 Cb -0.25 -2.25 0.13 0.00 0.50 0.00 0.00 46.19 44.32 3grh s LEU 319 CO 0.32 -0.68 1.86 0.47 -1.32 0.00 0.00 176.35 177.00 3grh n ASP 320 N 4.52 4.84 0.21 3.68 9.92 -1.05 -4.33 116.55 134.34 3grh n ASP 320 Ca 0.15 -3.01 0.09 0.00 -0.53 0.00 0.00 54.79 51.48 3grh n ASP 320 Cb 0.47 -1.56 0.36 0.00 -0.64 0.00 0.00 41.12 39.75 3grh n ASP 320 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 3grh h VAL 321 N 4.13 0.59 -3.41 2.53 -1.51 -1.93 -3.39 116.25 113.26 3grh h VAL 321 Ca 0.42 -1.33 -0.02 0.00 -1.23 0.00 0.00 66.70 64.54 3grh h VAL 321 Cb 0.70 1.91 -0.07 0.00 -2.13 0.00 0.00 31.29 31.69 3grh h VAL 321 CO 1.60 0.26 0.02 1.51 -1.23 0.00 0.00 177.57 179.73 3grh s ASP 322 N -6.25 -0.09 0.50 4.19 1.47 -1.26 -5.06 116.67 110.18 3grh s ASP 322 Ca 0.02 -0.87 0.28 0.00 1.18 0.00 0.00 52.55 53.16 3grh s ASP 322 Cb 0.09 0.66 1.26 0.00 -0.34 0.00 0.00 42.92 44.59 3grh s ASP 322 CO 0.66 -1.26 1.97 0.00 0.68 0.00 0.00 175.17 177.22 3grh h ALA 323 N 2.14 1.10 -0.99 2.11 0.00 -2.01 -2.83 119.26 118.78 3grh h ALA 323 Ca -0.24 -0.13 -0.62 0.00 0.00 0.00 0.00 54.91 53.92 3grh h ALA 323 Cb 1.25 -0.02 -0.30 0.00 0.00 0.00 0.00 17.79 18.72 3grh h ALA 323 CO 0.32 0.17 0.77 -1.71 0.00 0.00 0.00 179.25 178.80 3grh n ASN 324 N -3.41 6.25 -4.49 0.00 5.15 -1.26 -4.89 115.26 112.62 3grh n ASN 324 Ca -0.01 -3.73 -0.32 0.00 -0.60 0.00 0.00 54.58 49.92 3grh n ASN 324 Cb 0.32 -0.92 -0.13 0.00 -0.53 0.00 0.00 39.78 38.53 3grh n ASN 324 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3grh s THR 325 N -4.28 3.10 -0.42 -0.44 2.01 -1.07 -0.62 115.64 113.92 3grh s THR 325 Ca 0.62 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.84 3grh s THR 325 Cb 0.50 -2.26 0.17 0.00 0.01 0.00 0.00 72.50 70.92 3grh s THR 325 CO 0.03 0.50 0.52 0.21 -0.69 0.00 0.00 174.62 175.19 3grh s ASN 326 N -1.01 -0.10 0.38 3.53 2.47 0.18 -4.75 114.94 115.64 3grh s ASN 326 Ca 0.13 -1.63 -0.26 0.00 0.42 0.00 0.00 52.86 51.51 3grh s ASN 326 Cb -0.11 1.09 -0.11 0.00 -1.45 0.00 0.00 41.25 40.68 3grh s ASN 326 CO 0.03 -0.17 1.25 0.61 -3.72 0.00 0.00 177.10 175.09 3grh n GLY 327 N 3.78 0.48 3.27 1.21 0.00 -1.25 -4.55 105.19 108.12 3grh n GLY 327 Ca 0.15 0.25 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 3grh n GLY 327 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3grh s GLN 328 N -2.03 3.11 -0.16 1.61 -0.44 -1.26 -3.88 119.66 116.60 3grh s GLN 328 Ca 0.59 -0.82 -0.13 0.00 -2.50 0.00 0.00 55.36 52.50 3grh s GLN 328 Cb -0.54 -2.39 0.05 0.00 -1.64 0.00 0.00 33.01 28.48 3grh s GLN 328 CO 0.60 0.21 0.42 0.54 0.50 0.00 0.00 175.29 177.56 3grh s VAL 329 N 0.29 -0.01 -0.11 1.34 0.11 -0.50 -1.09 120.40 120.44 3grh s VAL 329 Ca -0.15 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 58.96 3grh s VAL 329 Cb -0.17 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 3grh s VAL 329 CO 0.07 0.01 -0.22 -0.69 -3.33 0.00 0.00 175.10 170.95 3grh s VAL 330 N 0.60 1.92 -0.26 2.04 1.01 -0.44 -1.00 120.40 124.27 3grh s VAL 330 Ca -0.03 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 3grh s VAL 330 Cb -0.05 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.67 3grh s VAL 330 CO -0.04 0.53 0.01 -0.63 0.00 0.00 0.00 175.10 174.97 3grh s ILE 331 N 0.53 3.46 0.06 2.22 1.01 -0.48 -0.96 121.20 127.03 3grh s ILE 331 Ca -0.15 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 59.78 3grh s ILE 331 Cb -0.17 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 3grh s ILE 331 CO 0.05 0.19 -0.13 0.00 0.00 0.00 0.00 174.94 175.05 3grh s ARG 332 N 1.43 0.81 -1.35 2.79 1.70 0.25 -1.60 118.95 122.99 3grh s ARG 332 Ca 0.02 -0.86 -0.05 0.00 -0.47 0.00 0.00 55.73 54.38 3grh s ARG 332 Cb -0.16 -0.80 0.03 0.00 -0.57 0.00 0.00 34.95 33.45 3grh s ARG 332 CO -0.01 0.18 0.35 -0.25 -1.08 0.00 0.00 175.30 174.49 3grh n ASP 333 N 1.51 -4.68 -4.45 -2.89 8.00 -0.55 -2.52 116.55 110.97 3grh n ASP 333 Ca -0.20 -0.17 -0.26 0.00 0.71 0.00 0.00 54.79 54.86 3grh n ASP 333 Cb 0.54 -3.86 -0.11 0.00 -0.02 0.00 0.00 41.12 37.67 3grh n ASP 333 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3grh s SER 334 N -2.47 3.54 -0.22 -2.24 0.01 -1.26 -2.82 113.70 108.24 3grh s SER 334 Ca 0.23 -0.88 -0.14 0.00 1.31 0.00 0.00 55.95 56.46 3grh s SER 334 Cb -0.11 -0.31 -0.04 0.00 0.21 0.00 0.00 66.02 65.77 3grh s SER 334 CO 0.28 0.10 0.32 0.00 0.41 0.00 0.00 173.24 174.35 3grh s ALA 335 N -1.89 3.57 -0.25 1.44 0.00 -0.30 -0.97 121.76 123.37 3grh s ALA 335 Ca 0.23 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 3grh s ALA 335 Cb -0.07 -2.55 0.02 0.00 0.00 0.00 0.00 23.12 20.53 3grh s ALA 335 CO 0.12 -0.30 -0.06 0.42 0.00 0.00 0.00 175.76 175.94 3grh s ILE 336 N 1.30 2.92 0.00 0.00 1.01 0.48 -1.03 121.20 125.88 3grh s ILE 336 Ca 0.15 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.80 3grh s ILE 336 Cb -0.14 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.84 3grh s ILE 336 CO 0.07 0.20 0.00 0.59 0.00 0.00 0.00 174.94 175.80 3grh n ASN 337 N 4.68 0.27 -4.78 3.58 3.02 -0.58 -0.50 115.26 120.93 3grh n ASN 337 Ca -0.16 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.07 3grh n ASN 337 Cb 0.47 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.71 3grh n ASN 337 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3grh s GLU 338 N 2.96 2.60 0.00 3.52 2.56 -1.26 -3.14 118.70 125.93 3grh s GLU 338 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 54.97 56.12 3grh s GLU 338 Cb 0.00 -1.94 0.00 0.00 2.00 0.00 0.00 34.13 34.19 3grh s GLU 338 CO 0.00 -1.38 0.00 0.41 -0.56 0.00 0.00 175.26 173.73 3grh n GLY 339 N -1.29 0.58 3.92 -1.50 0.00 -1.25 -2.30 105.19 103.35 3grh n GLY 339 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 3grh n GLY 339 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3grh s PHE 340 N -2.00 3.49 -0.68 1.61 0.08 -1.26 -3.33 117.98 115.89 3grh s PHE 340 Ca 0.00 0.51 -0.27 0.00 0.12 0.00 0.00 56.93 57.28 3grh s PHE 340 Cb 0.00 -2.01 0.03 0.00 -0.57 0.00 0.00 43.02 40.47 3grh s PHE 340 CO 0.00 0.15 1.29 1.21 -0.10 0.00 0.00 175.22 177.77 3grh s ASN 341 N -3.55 6.19 0.28 1.36 3.84 0.20 -4.50 114.94 118.76 3grh s ASN 341 Ca 0.42 -0.23 0.16 0.00 0.21 0.00 0.00 52.86 53.42 3grh s ASN 341 Cb -0.10 -2.56 0.08 0.00 -0.55 0.00 0.00 41.25 38.12 3grh s ASN 341 CO 0.33 -1.77 1.42 0.71 -2.79 0.00 0.00 177.10 175.01 3grh h THR 342 N 6.12 0.75 -0.02 -5.21 1.35 -1.87 -2.85 112.91 111.18 3grh h THR 342 Ca -0.27 -2.08 -0.20 0.00 -0.55 0.00 0.00 66.41 63.31 3grh h THR 342 Cb 1.06 2.35 -0.01 0.00 -1.73 0.00 0.00 68.15 69.83 3grh h THR 342 CO 1.25 0.43 -0.84 0.00 -0.25 0.00 0.00 175.52 176.11 3grh h ALA 343 N 1.55 0.53 -2.23 6.62 0.00 -1.89 -3.39 119.26 120.44 3grh h ALA 343 Ca -0.01 -0.68 -0.58 0.00 0.00 0.00 0.00 54.91 53.64 3grh h ALA 343 Cb 1.36 -0.06 -0.39 0.00 0.00 0.00 0.00 17.79 18.70 3grh h ALA 343 CO 0.06 0.85 -1.00 1.63 0.00 0.00 0.00 179.25 180.79 3grh n LYS 344 N -3.73 0.60 0.17 0.00 5.02 -1.23 -4.79 118.16 114.20 3grh n LYS 344 Ca -0.04 -3.33 0.13 0.00 -2.02 0.00 0.00 58.31 53.06 3grh n LYS 344 Cb 0.78 -1.53 0.53 0.00 -0.02 0.00 0.00 35.03 34.78 3grh n LYS 344 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3grh h PRO 345 N 4.85 0.00 -5.28 1.97 0.13 -1.69 -3.43 132.00 128.56 3grh h PRO 345 Ca 0.18 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.63 3grh h PRO 345 Cb 0.88 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.69 3grh h PRO 345 CO 0.45 0.00 -0.85 -1.58 -0.23 0.00 0.00 178.00 175.79 3grh s TRP 346 N -3.39 2.65 0.53 1.56 0.52 -1.26 0.05 118.94 119.61 3grh s TRP 346 Ca 0.04 -1.07 -0.01 0.00 0.02 0.00 0.00 56.10 55.08 3grh s TRP 346 Cb 0.09 -1.78 0.02 0.00 -1.15 0.00 0.00 33.47 30.65 3grh s TRP 346 CO 0.46 -0.45 0.77 0.00 0.02 0.00 0.00 176.95 177.75 3grh s ALA 347 N 0.53 3.67 0.88 0.98 0.00 -0.28 -4.86 121.76 122.68 3grh s ALA 347 Ca -0.13 -1.07 -0.10 0.00 0.00 0.00 0.00 51.96 50.66 3grh s ALA 347 Cb -0.17 -2.24 0.12 0.00 0.00 0.00 0.00 23.12 20.84 3grh s ALA 347 CO 0.04 -0.65 1.13 -0.51 0.00 0.00 0.00 175.76 175.77 3grh s ASP 348 N -4.33 3.37 0.44 0.00 1.01 -1.26 -4.48 116.67 111.43 3grh s ASP 348 Ca 0.53 2.04 -0.23 0.00 0.71 0.00 0.00 52.55 55.60 3grh s ASP 348 Cb -0.10 -2.54 -0.08 0.00 1.01 0.00 0.00 42.92 41.21 3grh s ASP 348 CO 0.40 -2.79 1.15 0.00 0.21 0.00 0.00 175.17 174.13 3grh s ALA 349 N -2.73 3.02 0.38 5.23 0.00 0.03 -4.60 121.76 123.08 3grh s ALA 349 Ca 0.65 0.90 -0.19 0.00 0.00 0.00 0.00 51.96 53.32 3grh s ALA 349 Cb -0.21 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.44 3grh s ALA 349 CO 0.57 -0.57 0.87 0.54 0.00 0.00 0.00 175.76 177.18 3grh s VAL 350 N -1.55 4.47 0.00 0.00 0.11 -0.49 -1.73 120.40 121.21 3grh s VAL 350 Ca 0.62 1.34 0.00 0.00 -2.93 0.00 0.00 61.98 61.01 3grh s VAL 350 Cb -0.28 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 30.93 3grh s VAL 350 CO 0.34 -0.22 0.00 -0.38 -3.33 0.00 0.00 175.10 171.51 3grh n ILE 351 N -0.41 0.00 0.39 7.04 5.41 -1.26 -2.52 119.36 128.02 3grh n ILE 351 Ca 0.05 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.92 3grh n ILE 351 Cb 0.53 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 39.50 3grh n ILE 351 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3grh n SER 352 N 3.32 0.66 -2.25 4.38 3.41 -1.26 -4.96 113.62 116.92 3grh n SER 352 Ca 0.00 0.04 -0.16 0.00 -0.26 0.00 0.00 58.87 58.49 3grh n SER 352 Cb 0.00 0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 3grh n SER 352 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3grh n ASN 353 N -2.23 -4.76 -4.67 4.04 3.02 -0.71 -4.92 115.26 105.04 3grh n ASN 353 Ca 0.01 0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.29 3grh n ASN 353 Cb 0.48 -4.05 -0.03 0.00 -0.61 0.00 0.00 39.78 35.57 3grh n ASN 353 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3grh s ARG 354 N -4.74 4.17 0.47 3.52 3.52 -1.25 -4.61 118.95 120.03 3grh s ARG 354 Ca 0.00 2.35 -0.25 0.00 -0.13 0.00 0.00 55.73 57.71 3grh s ARG 354 Cb 0.00 -3.96 -0.08 0.00 -1.56 0.00 0.00 34.95 29.36 3grh s ARG 354 CO 0.00 -0.86 1.42 -2.14 -0.81 0.00 0.00 175.30 172.91 3grh s PRO 355 N 3.88 3.57 0.27 5.12 0.02 -1.26 -0.79 135.00 145.81 3grh s PRO 355 Ca 0.78 2.39 -0.30 0.00 0.02 0.00 0.00 61.00 63.90 3grh s PRO 355 Cb -0.38 -2.58 -0.10 0.00 0.02 0.00 0.00 34.50 31.47 3grh s PRO 355 CO 0.34 -0.90 1.42 0.12 -0.33 0.00 0.00 177.00 177.65 3grh s PHE 356 N -1.22 3.00 -0.20 6.54 5.36 -1.26 -4.82 117.98 125.39 3grh s PHE 356 Ca 0.63 1.11 -0.05 0.00 -0.96 0.00 0.00 56.93 57.67 3grh s PHE 356 Cb -0.43 -3.80 0.07 0.00 -0.34 0.00 0.00 43.02 38.52 3grh s PHE 356 CO 0.55 -2.52 0.12 0.00 -1.46 0.00 0.00 175.22 171.91 3grh s ALA 357 N -0.28 0.32 -0.02 11.12 0.00 -1.26 -5.00 121.76 126.63 3grh s ALA 357 Ca 0.57 -0.34 -0.14 0.00 0.00 0.00 0.00 51.96 52.05 3grh s ALA 357 Cb -0.42 -1.15 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 3grh s ALA 357 CO 0.46 -1.26 0.38 0.20 0.00 0.00 0.00 175.76 175.54 3grh s GLY 358 N 2.17 2.44 -0.37 0.00 0.00 -0.62 -0.68 107.32 110.26 3grh s GLY 358 Ca 0.04 -0.27 -0.16 0.00 0.00 0.00 0.00 44.72 44.33 3grh s GLY 358 CO -0.14 0.14 0.42 0.21 0.00 0.00 0.00 173.10 173.72 3grh s ASN 359 N -0.93 6.21 0.00 1.64 3.84 -1.26 -4.55 114.94 119.89 3grh s ASN 359 Ca 0.23 -0.34 0.25 0.00 0.21 0.00 0.00 52.86 53.21 3grh s ASN 359 Cb -0.16 -2.22 0.40 0.00 -0.55 0.00 0.00 41.25 38.72 3grh s ASN 359 CO 0.12 -0.45 1.36 0.35 -2.79 0.00 0.00 177.10 175.70 3grh n THR 360 N 5.34 0.00 -4.66 -5.21 -2.24 -1.26 -4.90 114.28 101.35 3grh n THR 360 Ca -0.08 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3grh n THR 360 Cb 0.49 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 3grh n THR 360 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3grh n GLY 361 N 1.33 0.23 3.29 3.38 0.00 -1.26 -4.80 105.19 107.36 3grh n GLY 361 Ca 0.14 -0.94 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 3grh n GLY 361 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3grh s SER 362 N -4.00 1.67 -0.04 1.61 1.04 -0.44 -4.97 113.70 108.57 3grh s SER 362 Ca 0.00 -1.75 0.05 0.00 0.48 0.00 0.00 55.95 54.73 3grh s SER 362 Cb 0.00 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 3grh s SER 362 CO 0.00 -1.05 -0.18 0.68 0.98 0.00 0.00 173.24 173.67 3grh s VAL 363 N -3.46 2.78 0.00 5.02 -7.23 -1.26 0.45 120.40 116.70 3grh s VAL 363 Ca 0.40 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 3grh s VAL 363 Cb 0.02 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.90 3grh s VAL 363 CO 0.27 0.57 0.00 -0.67 -0.31 0.00 0.00 175.10 174.96 3grh n ASP 364 N 2.29 1.32 -4.36 4.85 -0.08 -1.01 -4.91 116.55 114.65 3grh n ASP 364 Ca -0.17 -0.19 -0.59 0.00 -1.51 0.00 0.00 54.79 52.34 3grh n ASP 364 Cb 0.52 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.90 3grh n ASP 364 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3grh n ASP 365 N -0.32 0.35 -3.79 1.67 8.00 -1.26 -0.16 116.55 121.04 3grh n ASP 365 Ca 0.00 1.11 -0.29 0.00 0.71 0.00 0.00 54.79 56.33 3grh n ASP 365 Cb 0.00 -0.86 0.03 0.00 -0.02 0.00 0.00 41.12 40.26 3grh n ASP 365 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3grh n ASN 366 N 2.17 -4.95 -2.66 -2.24 4.13 -1.26 -4.30 115.26 106.14 3grh n ASN 366 Ca 0.22 -0.70 -0.12 0.00 1.68 0.00 0.00 54.58 55.67 3grh n ASN 366 Cb 0.03 -3.96 0.06 0.00 -1.54 0.00 0.00 39.78 34.38 3grh n ASN 366 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3grh n ASP 367 N -2.78 -2.11 -4.34 6.41 8.00 0.77 -5.01 116.55 117.49 3grh n ASP 367 Ca 0.03 -0.43 -0.32 0.00 0.71 0.00 0.00 54.79 54.78 3grh n ASP 367 Cb 0.53 -3.67 -0.15 0.00 -0.02 0.00 0.00 41.12 37.81 3grh n ASP 367 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3grh s GLU 368 N -4.90 2.95 0.22 -1.24 2.02 -1.17 -4.93 118.70 111.65 3grh s GLU 368 Ca 0.01 -0.78 -0.30 0.00 0.02 0.00 0.00 54.97 53.92 3grh s GLU 368 Cb -0.00 -2.41 -0.10 0.00 0.10 0.00 0.00 34.13 31.73 3grh s GLU 368 CO 0.50 0.33 1.44 0.42 0.02 0.00 0.00 175.26 177.97 3grh s ILE 369 N 0.02 2.76 -0.12 -1.63 1.01 -1.26 -2.40 121.20 119.57 3grh s ILE 369 Ca -0.06 0.61 0.01 0.00 0.00 0.00 0.00 60.65 61.21 3grh s ILE 369 Cb -0.15 -3.39 0.02 0.00 0.01 0.00 0.00 42.46 38.95 3grh s ILE 369 CO 0.05 0.09 -0.15 -1.10 0.00 0.00 0.00 174.94 173.82 3grh s GLN 370 N -0.03 2.29 -0.04 2.79 -0.21 0.17 -4.95 119.66 119.68 3grh s GLN 370 Ca 0.61 -0.58 -0.30 0.00 0.02 0.00 0.00 55.36 55.11 3grh s GLN 370 Cb -0.41 -1.97 0.07 0.00 1.00 0.00 0.00 33.01 31.70 3grh s GLN 370 CO 0.40 -0.09 0.66 -0.98 -2.12 0.00 0.00 175.29 173.16 3grh s ARG 371 N 1.07 1.06 -0.44 2.91 1.70 -1.26 -1.33 118.95 122.65 3grh s ARG 371 Ca -0.04 0.19 -0.27 0.00 -0.47 0.00 0.00 55.73 55.13 3grh s ARG 371 Cb -0.15 0.50 0.03 0.00 -0.57 0.00 0.00 34.95 34.76 3grh s ARG 371 CO -0.03 -0.34 1.04 1.21 -1.08 0.00 0.00 175.30 176.10 3grh s ASN 372 N -1.29 6.63 0.00 -2.89 3.84 -1.26 -4.90 114.94 115.06 3grh s ASN 372 Ca -0.10 0.44 0.14 0.00 0.21 0.00 0.00 52.86 53.55 3grh s ASN 372 Cb -0.00 -2.51 0.69 0.00 -0.55 0.00 0.00 41.25 38.88 3grh s ASN 372 CO 0.08 -1.10 1.41 0.18 -2.79 0.00 0.00 177.10 174.88 3grh n LEU 373 N 7.40 0.00 -0.45 3.21 4.77 -1.26 -2.32 117.00 128.35 3grh n LEU 373 Ca 0.10 0.35 0.08 0.00 -0.03 0.00 0.00 56.01 56.51 3grh n LEU 373 Cb 0.49 -0.35 0.18 0.00 -2.33 0.00 0.00 43.42 41.41 3grh n LEU 373 CO 0.66 -0.18 0.63 0.59 -1.33 0.00 0.00 177.39 177.76 3grh n ASN 374 N -1.35 3.01 -4.69 -1.43 4.13 -1.26 -4.85 115.26 108.82 3grh n ASN 374 Ca 0.06 -2.92 -0.42 0.00 1.68 0.00 0.00 54.58 52.98 3grh n ASN 374 Cb 0.13 -0.44 -0.03 0.00 -1.54 0.00 0.00 39.78 37.91 3grh n ASN 374 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3grh s ASP 375 N -2.24 6.65 0.00 6.41 -1.08 -0.98 -4.87 116.67 120.55 3grh s ASP 375 Ca 0.34 2.41 0.24 0.00 -0.52 0.00 0.00 52.55 55.01 3grh s ASP 375 Cb 0.28 -2.56 1.05 0.00 -1.46 0.00 0.00 42.92 40.23 3grh s ASP 375 CO 0.06 -0.87 1.78 0.35 0.52 0.00 0.00 175.17 177.01 3grh n THR 376 N 4.79 0.33 0.84 1.71 -2.24 -1.26 -2.75 114.28 115.70 3grh n THR 376 Ca 0.16 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 62.14 3grh n THR 376 Cb 0.41 -0.67 0.52 0.00 -2.10 0.00 0.00 70.33 68.50 3grh n THR 376 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3grh n ASN 377 N -1.47 0.04 -4.34 3.42 5.03 -1.26 -4.85 115.26 111.82 3grh n ASN 377 Ca 0.07 0.51 -0.17 0.00 0.87 0.00 0.00 54.58 55.85 3grh n ASN 377 Cb 0.27 -0.52 -0.10 0.00 -1.02 0.00 0.00 39.78 38.41 3grh n ASN 377 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3grh s TYR 378 N -3.01 1.60 0.85 3.10 2.02 -1.11 -4.95 117.35 115.85 3grh s TYR 378 Ca 0.12 -0.99 -0.12 0.00 -0.37 0.00 0.00 57.07 55.71 3grh s TYR 378 Cb 0.16 -0.95 0.10 0.00 -0.40 0.00 0.00 41.96 40.87 3grh s TYR 378 CO 0.46 -0.10 1.16 -0.80 -1.57 0.00 0.00 175.55 174.70 3grh s ASN 379 N -3.33 4.08 -0.38 2.29 0.01 0.14 -4.82 114.94 112.94 3grh s ASN 379 Ca 0.31 0.85 0.11 0.00 -0.71 0.00 0.00 52.86 53.42 3grh s ASN 379 Cb 0.07 -1.36 0.44 0.00 0.41 0.00 0.00 41.25 40.81 3grh s ASN 379 CO 0.11 -2.18 1.06 0.54 -1.51 0.00 0.00 177.10 175.12 3grh n ARG 380 N -3.51 2.57 -4.01 -0.60 1.74 -1.25 -4.66 116.66 106.95 3grh n ARG 380 Ca 0.08 -3.99 -0.34 0.00 -0.77 0.00 0.00 57.85 52.82 3grh n ARG 380 Cb 0.60 -1.87 -0.15 0.00 -1.02 0.00 0.00 32.46 30.02 3grh n ARG 380 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3grh s MET 381 N -3.42 2.90 0.07 5.56 -1.94 -1.26 -1.40 119.30 119.81 3grh s MET 381 Ca 0.40 -0.92 0.03 0.00 -1.71 0.00 0.00 55.69 53.48 3grh s MET 381 Cb 0.42 -2.86 -0.03 0.00 2.01 0.00 0.00 34.83 34.37 3grh s MET 381 CO -0.08 -0.33 -0.08 -1.58 -0.01 0.00 0.00 175.02 172.93 3grh s TRP 382 N 1.31 0.87 0.11 -0.03 0.52 -0.17 -4.58 118.94 116.97 3grh s TRP 382 Ca 0.01 -0.66 0.07 0.00 0.02 0.00 0.00 56.10 55.55 3grh s TRP 382 Cb -0.16 -0.50 -0.04 0.00 -1.15 0.00 0.00 33.47 31.63 3grh s TRP 382 CO -0.07 -0.07 -0.18 -1.21 0.02 0.00 0.00 176.95 175.44 3grh s GLU 383 N -2.57 1.08 -0.15 4.98 2.02 -1.05 -1.39 118.70 121.61 3grh s GLU 383 Ca 0.01 -1.19 -0.06 0.00 0.02 0.00 0.00 54.97 53.75 3grh s GLU 383 Cb -0.04 -1.18 0.07 0.00 0.10 0.00 0.00 34.13 33.09 3grh s GLU 383 CO -0.01 0.26 0.32 -0.47 0.02 0.00 0.00 175.26 175.38 3grh s TYR 384 N -1.55 -0.54 -1.34 1.61 5.04 -0.63 -1.17 117.35 118.78 3grh s TYR 384 Ca 0.07 1.14 -0.08 0.00 -2.44 0.00 0.00 57.07 55.76 3grh s TYR 384 Cb -0.08 0.10 0.01 0.00 0.35 0.00 0.00 41.96 42.34 3grh s TYR 384 CO 0.04 -0.37 1.17 -1.71 -1.34 0.00 0.00 175.55 173.34 3grh n ASN 385 N 5.09 -6.00 -4.94 4.32 5.15 -1.26 -1.49 115.26 116.12 3grh n ASN 385 Ca -0.11 -0.55 -0.24 0.00 -0.60 0.00 0.00 54.58 53.08 3grh n ASN 385 Cb 0.51 -5.03 0.00 0.00 -0.53 0.00 0.00 39.78 34.73 3grh n ASN 385 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3grh s ASN 386 N -3.41 6.03 0.32 1.20 0.02 -1.26 -3.05 114.94 114.78 3grh s ASN 386 Ca 0.54 0.50 0.05 0.00 -1.02 0.00 0.00 52.86 52.93 3grh s ASN 386 Cb -0.24 -1.84 -0.03 0.00 0.02 0.00 0.00 41.25 39.16 3grh s ASN 386 CO 0.73 -0.59 0.21 0.00 0.02 0.00 0.00 177.10 177.47 3grh s ARG 387 N -4.56 1.67 0.00 -0.60 1.70 -0.14 -4.40 118.95 112.61 3grh s ARG 387 Ca 0.46 -1.96 0.00 0.00 -0.47 0.00 0.00 55.73 53.76 3grh s ARG 387 Cb -0.10 0.11 0.00 0.00 -0.57 0.00 0.00 34.95 34.39 3grh s ARG 387 CO 0.39 -0.55 0.00 0.41 -1.08 0.00 0.00 175.30 174.47 3grh n GLY 388 N -0.60 2.06 0.34 3.88 0.00 -1.26 -0.38 105.19 109.23 3grh n GLY 388 Ca 0.04 -1.87 0.11 0.00 0.00 0.00 0.00 46.02 44.30 3grh n GLY 388 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3grh h VAL 389 N 0.00 0.92 0.00 1.61 2.07 -1.78 -1.08 116.25 117.99 3grh h VAL 389 Ca 0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3grh h VAL 389 Cb 0.00 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3grh h VAL 389 CO 0.00 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.27 3grh n GLY 390 N -1.52 -0.98 0.02 2.17 0.00 0.34 -3.23 105.19 102.00 3grh n GLY 390 Ca 0.08 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.03 3grh n GLY 390 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3grh n SER 391 N -1.01 0.59 -0.77 1.61 3.41 -0.41 -4.82 113.62 112.22 3grh n SER 391 Ca 0.23 -0.18 0.13 0.00 -0.26 0.00 0.00 58.87 58.79 3grh n SER 391 Cb 0.11 0.35 0.27 0.00 -0.26 0.00 0.00 64.21 64.68 3grh n SER 391 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17