#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1thm s THR 2 N 0.00 5.33 0.74 -3.48 2.01 -1.26 -4.69 115.64 114.30 1thm s THR 2 Ca 0.00 0.21 -0.09 0.00 0.31 0.00 0.00 61.69 62.12 1thm s THR 2 Cb 0.00 -3.52 0.06 0.00 0.01 0.00 0.00 72.50 69.05 1thm s THR 2 CO 0.00 0.31 1.09 -2.16 -0.69 0.00 0.00 174.62 173.17 1thm s PRO 3 N 1.29 2.20 0.00 4.92 0.04 -1.26 -5.01 135.00 137.19 1thm s PRO 3 Ca 0.08 -0.01 0.25 0.00 0.04 0.00 0.00 61.00 61.37 1thm s PRO 3 Cb -0.14 -2.06 0.99 0.00 0.04 0.00 0.00 34.50 33.33 1thm s PRO 3 CO 0.07 -1.34 1.70 0.27 0.04 0.00 0.00 177.00 177.73 1thm n ASN 4 N -3.08 1.41 -4.66 6.66 0.23 -1.26 -4.95 115.26 109.60 1thm n ASN 4 Ca 0.08 -1.54 -0.46 0.00 -0.53 0.00 0.00 54.58 52.12 1thm n ASN 4 Cb 0.60 -0.04 -0.04 0.00 -2.08 0.00 0.00 39.78 38.22 1thm n ASN 4 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1thm n ASP 5 N 0.12 2.82 0.24 0.53 9.92 -1.26 -4.41 116.55 124.51 1thm n ASP 5 Ca 0.18 1.10 0.09 0.00 -0.53 0.00 0.00 54.79 55.63 1thm n ASP 5 Cb 0.32 -1.40 0.61 0.00 -0.64 0.00 0.00 41.12 40.01 1thm n ASP 5 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1thm h PRO 6 N 5.27 0.00 -0.02 -0.24 0.13 -1.80 -2.75 132.00 132.60 1thm h PRO 6 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1thm h PRO 6 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1thm h PRO 6 CO 0.84 0.16 -0.10 0.66 -0.23 0.00 0.00 178.00 179.33 1thm n TYR 7 N -3.98 0.00 0.32 1.56 4.01 -0.80 -4.53 117.16 113.74 1thm n TYR 7 Ca -0.02 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.54 1thm n TYR 7 Cb 0.25 -0.02 -0.09 0.00 -0.31 0.00 0.00 39.34 39.17 1thm n TYR 7 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 1thm h PHE 8 N 3.01 -1.29 0.03 -0.72 3.57 -1.68 0.30 116.94 120.17 1thm h PHE 8 Ca 0.00 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.28 1thm h PHE 8 Cb 0.71 0.49 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 1thm h PHE 8 CO 0.00 -0.66 -1.08 0.77 -2.23 0.00 0.00 178.31 175.11 1thm h SER 9 N -1.01 0.09 0.79 0.41 0.02 -1.80 -3.00 113.55 109.05 1thm h SER 9 Ca -0.07 -0.10 -0.20 0.00 -0.84 0.00 0.00 61.79 60.58 1thm h SER 9 Cb 0.86 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 1thm h SER 9 CO -0.02 1.08 -1.32 0.77 -1.14 0.00 0.00 176.83 176.20 1thm h SER 10 N 0.02 0.00 0.00 3.07 4.64 -1.79 -3.42 113.55 116.07 1thm h SER 10 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1thm h SER 10 Cb 1.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 1thm h SER 10 CO 0.14 0.76 -0.42 0.54 -0.87 0.00 0.00 176.83 176.99 1thm n ARG 11 N -3.05 2.98 -3.99 4.77 1.74 0.02 -5.07 116.66 114.06 1thm n ARG 11 Ca -0.09 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.72 1thm n ARG 11 Cb 0.91 -0.65 -0.04 0.00 -1.02 0.00 0.00 32.46 31.66 1thm n ARG 11 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1thm s GLN 12 N -1.09 3.24 0.00 5.56 -0.21 -0.75 -4.57 119.66 121.85 1thm s GLN 12 Ca 0.00 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 54.72 1thm s GLN 12 Cb 0.00 -2.87 0.00 0.00 1.00 0.00 0.00 33.01 31.14 1thm s GLN 12 CO 0.00 0.53 0.00 2.48 -2.12 0.00 0.00 175.29 176.18 1thm n TYR 13 N -0.29 0.00 0.32 0.91 0.18 -1.26 -4.70 117.16 112.32 1thm n TYR 13 Ca -0.07 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.52 1thm n TYR 13 Cb 0.54 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.40 1thm n TYR 13 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 1thm h GLY 14 N 0.00 -1.22 0.52 -7.48 0.00 -1.95 -0.38 103.07 92.55 1thm h GLY 14 Ca 0.00 0.56 0.09 0.00 0.00 0.00 0.00 47.33 47.97 1thm h GLY 14 CO 0.00 -0.38 0.36 -2.55 0.00 0.00 0.00 176.54 173.96 1thm h PRO 15 N -1.03 0.60 -0.67 4.80 0.11 -1.94 -2.32 132.00 131.56 1thm h PRO 15 Ca -0.07 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 1thm h PRO 15 Cb 0.87 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 1thm h PRO 15 CO -0.02 0.40 0.32 1.96 -0.21 0.00 0.00 178.00 180.45 1thm h GLN 16 N 0.62 0.96 -0.69 1.05 7.50 -1.88 -0.75 115.11 121.93 1thm h GLN 16 Ca 0.34 -0.14 -0.02 0.00 0.50 0.00 0.00 58.65 59.33 1thm h GLN 16 Cb 0.33 -0.17 -0.03 0.00 0.05 0.00 0.00 27.48 27.65 1thm h GLN 16 CO -0.25 0.76 0.35 -0.22 -1.50 0.00 0.00 178.83 177.98 1thm h LYS 17 N 0.93 0.96 -0.50 1.46 1.63 -0.55 -2.07 116.57 118.42 1thm h LYS 17 Ca 0.23 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1thm h LYS 17 Cb 0.12 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1thm h LYS 17 CO -0.03 0.72 0.00 0.44 -3.45 0.00 0.00 179.45 177.14 1thm n ILE 18 N -4.35 0.69 -2.97 2.00 -5.35 -0.93 -4.94 119.36 103.51 1thm n ILE 18 Ca 0.07 -0.67 -0.22 0.00 -0.27 0.00 0.00 62.75 61.66 1thm n ILE 18 Cb 0.12 0.31 0.03 0.00 -1.74 0.00 0.00 39.64 38.35 1thm n ILE 18 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1thm n GLN 19 N 0.93 -4.47 -0.23 6.28 6.02 -0.78 -0.16 117.38 124.96 1thm n GLN 19 Ca 0.16 0.90 -0.05 0.00 -0.01 0.00 0.00 57.00 58.00 1thm n GLN 19 Cb 0.43 -5.74 0.05 0.00 1.02 0.00 0.00 30.24 26.00 1thm n GLN 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1thm h ALA 20 N 1.01 0.83 -0.78 -1.58 0.00 -1.39 -2.64 119.26 114.71 1thm h ALA 20 Ca -0.52 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.46 1thm h ALA 20 Cb 1.36 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 1thm h ALA 20 CO 0.57 0.25 0.40 -1.35 0.00 0.00 0.00 179.25 179.12 1thm h PRO 21 N 0.88 0.61 -0.51 0.00 0.11 -1.84 0.06 132.00 131.31 1thm h PRO 21 Ca 0.24 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.23 1thm h PRO 21 Cb -0.09 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 30.86 1thm h PRO 21 CO -0.06 0.40 -0.02 1.96 -0.21 0.00 0.00 178.00 180.08 1thm h GLN 22 N 0.63 0.87 -0.14 1.05 4.20 -1.81 0.98 115.11 120.89 1thm h GLN 22 Ca 0.40 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 1thm h GLN 22 Cb 0.49 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1thm h GLN 22 CO -0.31 0.88 -0.17 0.00 -0.67 0.00 0.00 178.83 178.56 1thm h ALA 23 N 1.17 1.46 0.00 3.87 0.00 -0.68 -2.82 119.26 122.26 1thm h ALA 23 Ca 0.15 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1thm h ALA 23 Cb 0.51 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1thm h ALA 23 CO 0.03 0.38 -0.02 -1.49 0.00 0.00 0.00 179.25 178.15 1thm h TRP 24 N 0.22 0.00 0.00 0.00 6.55 -0.77 0.60 115.95 122.55 1thm h TRP 24 Ca 0.04 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.88 1thm h TRP 24 Cb 0.43 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.73 1thm h TRP 24 CO 0.01 0.02 -0.03 -0.44 -1.05 0.00 0.00 178.44 176.94 1thm h ASP 25 N 0.00 0.00 0.00 -3.49 3.32 -1.58 -3.30 116.42 111.38 1thm h ASP 25 Ca -0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 1thm h ASP 25 Cb 0.05 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1thm h ASP 25 CO 0.00 0.03 -2.13 -0.38 -1.72 0.00 0.00 179.24 175.04 1thm n ILE 26 N -3.16 1.12 -3.82 0.35 5.41 0.02 -5.05 119.36 114.22 1thm n ILE 26 Ca -0.01 -0.31 -0.12 0.00 1.00 0.00 0.00 62.75 63.31 1thm n ILE 26 Cb 0.25 -1.65 -0.11 0.00 -0.71 0.00 0.00 39.64 37.42 1thm n ILE 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1thm s ALA 27 N -2.38 -0.46 0.00 -1.39 0.00 -0.16 -5.06 121.76 112.31 1thm s ALA 27 Ca -0.28 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1thm s ALA 27 Cb 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1thm s ALA 27 CO 0.38 -0.14 0.53 0.39 0.00 0.00 0.00 175.76 176.91 1thm n GLU 28 N 2.38 0.08 -0.33 0.00 1.02 -1.26 -3.70 120.64 118.82 1thm n GLU 28 Ca -0.16 -0.63 0.00 0.00 -0.02 0.00 0.00 57.16 56.34 1thm n GLU 28 Cb 0.57 -0.89 0.00 0.00 -0.02 0.00 0.00 31.44 31.10 1thm n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1thm n GLY 29 N -0.11 0.76 3.68 0.62 0.00 -1.26 -0.71 105.19 108.18 1thm n GLY 29 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1thm n GLY 29 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1thm n SER 30 N 0.00 3.61 0.00 1.61 2.88 -1.26 -1.58 113.62 118.88 1thm n SER 30 Ca 0.00 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 1thm n SER 30 Cb 0.00 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 61.99 1thm n SER 30 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1thm n GLY 31 N 3.98 1.31 3.76 0.46 0.00 -1.26 -4.67 105.19 108.77 1thm n GLY 31 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1thm n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1thm s ALA 32 N -3.07 3.57 -0.24 4.61 0.00 -0.61 -4.98 121.76 121.05 1thm s ALA 32 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 51.96 51.63 1thm s ALA 32 Cb 0.00 -2.50 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 1thm s ALA 32 CO 0.00 0.17 0.03 0.21 0.00 0.00 0.00 175.76 176.17 1thm s LYS 33 N 0.07 3.56 -0.24 0.00 2.20 -1.26 -0.99 119.74 123.08 1thm s LYS 33 Ca 0.23 -0.53 -0.07 0.00 -0.36 0.00 0.00 55.97 55.23 1thm s LYS 33 Cb -0.15 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 32.93 1thm s LYS 33 CO 0.09 -0.18 0.07 0.42 -0.36 0.00 0.00 175.35 175.40 1thm s ILE 34 N 1.54 4.43 -0.20 5.43 1.01 0.09 -1.88 121.20 131.62 1thm s ILE 34 Ca 0.06 -0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.37 1thm s ILE 34 Cb -0.15 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 1thm s ILE 34 CO 0.01 0.35 0.64 0.00 0.00 0.00 0.00 174.94 175.94 1thm s ALA 35 N 1.43 3.54 -0.52 9.38 0.00 0.19 -1.15 121.76 134.64 1thm s ALA 35 Ca 0.06 -0.26 -0.15 0.00 0.00 0.00 0.00 51.96 51.60 1thm s ALA 35 Cb -0.15 -2.98 0.12 0.00 0.00 0.00 0.00 23.12 20.11 1thm s ALA 35 CO 0.04 -0.55 0.47 0.42 0.00 0.00 0.00 175.76 176.13 1thm s ILE 36 N 1.91 5.12 -0.58 0.00 -1.09 -0.40 -0.78 121.20 125.37 1thm s ILE 36 Ca 0.29 -1.46 -0.18 0.00 -2.23 0.00 0.00 60.65 57.07 1thm s ILE 36 Cb -0.16 -4.25 0.11 0.00 -1.58 0.00 0.00 42.46 36.58 1thm s ILE 36 CO 0.10 -0.82 0.66 -0.69 -1.23 0.00 0.00 174.94 172.96 1thm s VAL 37 N 1.58 4.93 0.00 2.92 1.01 -0.97 -1.92 120.40 127.95 1thm s VAL 37 Ca 0.03 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1thm s VAL 37 Cb -0.29 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 31.64 1thm s VAL 37 CO 0.03 -1.06 0.00 -0.67 0.00 0.00 0.00 175.10 173.40 1thm n ASP 38 N 6.02 3.49 -0.10 3.32 -0.08 -0.48 -4.43 116.55 124.30 1thm n ASP 38 Ca -0.10 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.33 1thm n ASP 38 Cb 0.42 0.00 0.82 0.00 2.34 0.00 0.00 41.12 44.70 1thm n ASP 38 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1thm n THR 39 N 0.00 0.00 0.00 5.18 -2.24 -1.26 -0.42 114.28 115.54 1thm n THR 39 Ca 0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1thm n THR 39 Cb 0.00 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1thm n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1thm n GLY 40 N 1.09 0.73 2.94 3.38 0.00 -1.26 -3.78 105.19 108.29 1thm n GLY 40 Ca 0.21 -2.26 -0.13 0.00 0.00 0.00 0.00 46.02 43.85 1thm n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1thm s VAL 41 N -1.00 -0.01 -0.99 1.61 1.01 -0.57 -3.16 120.40 117.28 1thm s VAL 41 Ca 0.00 0.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.79 1thm s VAL 41 Cb 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 36.38 36.27 1thm s VAL 41 CO 0.00 0.02 1.52 -1.58 0.00 0.00 0.00 175.10 175.06 1thm s GLN 42 N 0.30 3.41 0.59 2.72 0.74 -1.26 -4.03 119.66 122.13 1thm s GLN 42 Ca -0.02 -0.95 0.34 0.00 0.05 0.00 0.00 55.36 54.78 1thm s GLN 42 Cb -0.03 -5.27 1.84 0.00 1.10 0.00 0.00 33.01 30.65 1thm s GLN 42 CO -0.01 -2.39 2.20 0.66 -0.55 0.00 0.00 175.29 175.20 1thm h SER 43 N 10.07 0.00 -0.62 6.67 4.64 -1.95 -2.25 113.55 130.10 1thm h SER 43 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1thm h SER 43 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1thm h SER 43 CO 1.39 0.04 0.00 -0.46 -0.87 0.00 0.00 176.83 176.93 1thm n ASN 44 N -3.46 3.57 -4.77 4.97 6.94 -1.26 -3.91 115.26 117.34 1thm n ASN 44 Ca -0.02 -2.09 -0.41 0.00 -0.02 0.00 0.00 54.58 52.04 1thm n ASN 44 Cb 0.15 -0.45 -0.01 0.00 -2.36 0.00 0.00 39.78 37.12 1thm n ASN 44 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1thm s HIS 45 N -1.30 2.72 0.56 -2.53 2.46 -0.85 -4.79 115.29 111.56 1thm s HIS 45 Ca 0.43 1.04 0.27 0.00 0.47 0.00 0.00 55.06 57.27 1thm s HIS 45 Cb 0.23 -3.99 1.47 0.00 -0.13 0.00 0.00 32.58 30.16 1thm s HIS 45 CO 0.27 -3.09 1.98 -1.35 -2.47 0.00 0.00 174.74 170.09 1thm h PRO 46 N 3.86 0.00 -0.73 2.88 0.11 -1.91 0.12 132.00 136.33 1thm h PRO 46 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1thm h PRO 46 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1thm h PRO 46 CO 0.71 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 175.03 1thm n ASP 47 N -4.09 3.95 0.00 -2.05 2.03 -1.26 -4.22 116.55 110.91 1thm n ASP 47 Ca 0.08 -2.03 0.00 0.00 0.52 0.00 0.00 54.79 53.37 1thm n ASP 47 Cb 0.59 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 1thm n ASP 47 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1thm n LEU 48 N 1.60 0.00 -4.65 -2.67 4.77 -0.15 -0.83 117.00 115.07 1thm n LEU 48 Ca 0.24 -0.18 -0.50 0.00 -0.03 0.00 0.00 56.01 55.55 1thm n LEU 48 Cb 0.63 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.67 1thm n LEU 48 CO 0.17 0.00 1.17 0.00 -1.33 0.00 0.00 177.39 177.40 1thm n ALA 49 N -0.80 0.37 0.00 -1.18 0.00 -0.18 -1.12 120.51 117.60 1thm n ALA 49 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1thm n ALA 49 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.17 1thm n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1thm n GLY 50 N 3.42 1.68 0.08 0.00 0.00 -1.26 -4.92 105.19 104.18 1thm n GLY 50 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 1thm n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1thm h LYS 51 N 3.12 0.03 -6.34 1.61 1.79 -1.46 -3.44 116.57 111.88 1thm h LYS 51 Ca 0.00 -0.05 -0.58 0.00 -2.18 0.00 0.00 60.65 57.84 1thm h LYS 51 Cb 0.00 0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 30.59 1thm h LYS 51 CO 0.00 0.79 0.76 0.08 -1.08 0.00 0.00 179.45 180.00 1thm s VAL 52 N -2.65 4.44 -2.29 0.50 1.01 -1.26 -0.29 120.40 119.85 1thm s VAL 52 Ca -0.03 1.28 0.21 0.00 0.00 0.00 0.00 61.98 63.44 1thm s VAL 52 Cb 0.09 -4.45 0.09 0.00 0.00 0.00 0.00 36.38 32.11 1thm s VAL 52 CO 0.83 -0.71 1.10 1.33 0.00 0.00 0.00 175.10 177.65 1thm n VAL 53 N 6.27 0.00 0.00 2.92 0.24 -0.50 -4.96 118.33 122.31 1thm n VAL 53 Ca 0.10 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 1thm n VAL 53 Cb 0.48 1.35 0.00 0.00 -1.47 0.00 0.00 33.84 34.20 1thm n VAL 53 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1thm n GLY 54 N 1.25 -1.00 0.00 7.63 0.00 -1.26 -5.06 105.19 106.75 1thm n GLY 54 Ca 0.11 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1thm n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1thm n GLY 55 N -0.53 0.69 3.22 -0.02 0.00 -1.26 -1.39 105.19 105.91 1thm n GLY 55 Ca 0.00 -1.38 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 1thm n GLY 55 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1thm s TRP 56 N -1.86 -0.04 -0.34 1.61 -0.11 -0.98 -4.83 118.94 112.38 1thm s TRP 56 Ca 0.00 -0.12 -0.03 0.00 1.22 0.00 0.00 56.10 57.17 1thm s TRP 56 Cb 0.00 0.05 0.07 0.00 -1.50 0.00 0.00 33.47 32.08 1thm s TRP 56 CO 0.00 -0.47 0.08 0.34 -4.62 0.00 0.00 176.95 172.27 1thm s ASP 57 N -2.05 5.06 0.00 5.86 -1.08 0.03 -1.44 116.67 123.05 1thm s ASP 57 Ca -0.05 -1.49 0.29 0.00 -0.52 0.00 0.00 52.55 50.78 1thm s ASP 57 Cb -0.01 -1.77 1.20 0.00 -1.46 0.00 0.00 42.92 40.88 1thm s ASP 57 CO -0.03 -0.36 1.84 0.49 0.52 0.00 0.00 175.17 177.63 1thm n PHE 58 N 4.64 0.00 -0.08 -5.34 3.72 0.03 -0.01 117.46 120.42 1thm n PHE 58 Ca -0.10 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.16 1thm n PHE 58 Cb 0.43 -0.16 -0.09 0.00 -0.94 0.00 0.00 39.48 38.72 1thm n PHE 58 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1thm h VAL 59 N 0.70 0.85 -0.00 -4.37 2.07 -1.87 -3.40 116.25 110.23 1thm h VAL 59 Ca 0.00 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.65 1thm h VAL 59 Cb 0.36 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1thm h VAL 59 CO 0.00 0.29 -0.72 0.47 0.02 0.00 0.00 177.57 177.63 1thm n ASP 60 N -4.55 1.02 -3.24 0.57 8.00 -1.25 -5.01 116.55 112.10 1thm n ASP 60 Ca -0.19 -0.87 -0.11 0.00 0.71 0.00 0.00 54.79 54.34 1thm n ASP 60 Cb 0.48 0.64 0.04 0.00 -0.02 0.00 0.00 41.12 42.26 1thm n ASP 60 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1thm n ASN 61 N -1.20 -6.92 -3.62 -2.24 5.15 0.99 -5.04 115.26 102.37 1thm n ASN 61 Ca 0.06 -0.50 -0.12 0.00 -0.60 0.00 0.00 54.58 53.43 1thm n ASN 61 Cb 0.35 -4.94 -0.05 0.00 -0.53 0.00 0.00 39.78 34.62 1thm n ASN 61 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1thm s ASP 62 N -3.23 0.34 -0.01 1.20 1.47 -0.76 -5.00 116.67 110.70 1thm s ASP 62 Ca 0.26 -1.20 0.10 0.00 1.18 0.00 0.00 52.55 52.88 1thm s ASP 62 Cb -0.04 0.62 0.29 0.00 -0.34 0.00 0.00 42.92 43.45 1thm s ASP 62 CO 0.76 -1.23 1.23 -1.54 0.68 0.00 0.00 175.17 175.07 1thm n SER 63 N -0.87 1.81 -3.94 2.11 3.41 -1.26 -0.79 113.62 114.10 1thm n SER 63 Ca -0.01 -2.02 -0.30 0.00 -0.26 0.00 0.00 58.87 56.27 1thm n SER 63 Cb 0.62 -0.24 -0.14 0.00 -0.26 0.00 0.00 64.21 64.19 1thm n SER 63 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1thm s THR 64 N -1.58 2.20 -1.49 6.66 2.01 -1.26 -4.76 115.64 117.43 1thm s THR 64 Ca 0.22 -2.69 -0.10 0.00 0.31 0.00 0.00 61.69 59.44 1thm s THR 64 Cb 0.12 -2.58 0.01 0.00 0.01 0.00 0.00 72.50 70.06 1thm s THR 64 CO 0.14 -0.72 2.56 -0.81 -0.69 0.00 0.00 174.62 175.11 1thm n PRO 65 N 3.77 3.71 -1.78 4.92 -0.04 -1.26 -4.76 135.00 139.56 1thm n PRO 65 Ca 0.04 -2.72 -0.35 0.00 -0.04 0.00 0.00 63.50 60.44 1thm n PRO 65 Cb 0.37 -2.88 0.06 0.00 -0.04 0.00 0.00 33.50 31.01 1thm n PRO 65 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1thm s GLN 66 N 1.45 2.64 -0.47 0.54 0.00 -1.26 -1.52 119.66 121.05 1thm s GLN 66 Ca 0.58 1.81 -0.17 0.00 -0.00 0.00 0.00 55.36 57.58 1thm s GLN 66 Cb 0.16 -1.89 0.05 0.00 0.00 0.00 0.00 33.01 31.34 1thm s GLN 66 CO -0.07 -1.46 0.47 1.21 0.00 0.00 0.00 175.29 175.45 1thm s ASN 67 N -1.78 6.18 0.00 12.60 3.04 -1.26 -4.37 114.94 129.36 1thm s ASN 67 Ca 0.76 -1.02 0.18 0.00 0.04 0.00 0.00 52.86 52.83 1thm s ASN 67 Cb -0.30 -2.23 0.51 0.00 -1.54 0.00 0.00 41.25 37.70 1thm s ASN 67 CO 0.38 -0.70 1.42 0.61 -3.04 0.00 0.00 177.10 175.77 1thm n GLY 68 N 5.17 1.24 0.92 1.21 0.00 -1.25 -4.48 105.19 108.00 1thm n GLY 68 Ca -0.09 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1thm n GLY 68 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1thm n ASN 69 N 0.96 0.78 0.00 1.61 2.85 -1.26 -4.70 115.26 115.50 1thm n ASN 69 Ca 0.17 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.64 1thm n ASN 69 Cb 0.45 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.47 1thm n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1thm n GLY 70 N 2.73 0.92 0.11 8.20 0.00 -1.26 -4.99 105.19 110.90 1thm n GLY 70 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1thm n GLY 70 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1thm h HIS 71 N 0.00 -0.04 -0.71 1.61 6.17 -1.95 -1.95 115.15 118.27 1thm h HIS 71 Ca 0.00 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.12 1thm h HIS 71 Cb 0.00 0.05 -0.04 0.00 2.52 0.00 0.00 27.41 29.94 1thm h HIS 71 CO 0.00 -0.05 0.46 0.78 0.71 0.00 0.00 177.93 179.83 1thm h GLY 72 N 0.05 1.02 1.00 5.26 0.00 -1.90 -1.54 103.07 106.96 1thm h GLY 72 Ca 0.11 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1thm h GLY 72 CO -0.19 0.32 0.32 -0.84 0.00 0.00 0.00 176.54 176.14 1thm h THR 73 N 0.91 1.21 -0.17 4.70 2.02 -1.46 -0.45 112.91 119.67 1thm h THR 73 Ca 0.28 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.89 1thm h THR 73 Cb -0.03 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1thm h THR 73 CO -0.09 0.24 0.05 -0.74 0.37 0.00 0.00 175.52 175.36 1thm h HIS 74 N 0.87 0.09 -0.87 3.16 6.17 -0.96 -1.83 115.15 121.79 1thm h HIS 74 Ca 0.22 0.01 -0.03 0.00 0.71 0.00 0.00 60.37 61.28 1thm h HIS 74 Cb 0.09 -0.02 -0.04 0.00 2.52 0.00 0.00 27.41 29.97 1thm h HIS 74 CO -0.00 0.04 0.44 0.00 0.71 0.00 0.00 177.93 179.12 1thm h ALA 76 N 1.24 0.92 -0.54 0.00 0.00 -0.87 -2.05 119.26 117.96 1thm h ALA 76 Ca 0.30 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1thm h ALA 76 Cb 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1thm h ALA 76 CO -0.04 0.46 0.14 0.78 0.00 0.00 0.00 179.25 180.59 1thm h GLY 77 N 0.99 0.93 0.99 0.00 0.00 -1.00 -0.04 103.07 104.94 1thm h GLY 77 Ca 0.25 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1thm h GLY 77 CO -0.04 0.53 0.24 -2.22 0.00 0.00 0.00 176.54 175.06 1thm h ILE 78 N 0.76 1.11 -0.31 2.60 2.04 -1.15 -1.60 117.51 120.97 1thm h ILE 78 Ca 0.17 -0.23 -0.17 0.00 1.00 0.00 0.00 64.86 65.63 1thm h ILE 78 Cb 0.32 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1thm h ILE 78 CO -0.00 0.11 -0.48 0.00 0.00 0.00 0.00 178.15 177.78 1thm h ALA 79 N 1.12 0.57 -0.05 1.87 0.00 -1.21 -0.84 119.26 120.73 1thm h ALA 79 Ca 0.14 -0.49 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 1thm h ALA 79 Cb -0.03 -0.10 -0.18 0.00 0.00 0.00 0.00 17.79 17.49 1thm h ALA 79 CO -0.03 0.68 -0.37 0.00 0.00 0.00 0.00 179.25 179.54 1thm n ALA 80 N -2.55 2.72 -1.42 0.00 0.00 -0.04 -0.81 120.51 118.41 1thm n ALA 80 Ca -0.03 -1.21 -0.35 0.00 0.00 0.00 0.00 53.44 51.84 1thm n ALA 80 Cb 0.59 -0.84 0.10 0.00 0.00 0.00 0.00 19.45 19.29 1thm n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1thm n ALA 81 N -1.36 0.55 -1.78 0.00 0.00 -0.61 -4.85 120.51 112.46 1thm n ALA 81 Ca -0.14 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 1thm n ALA 81 Cb 0.87 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.01 1thm n ALA 81 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1thm s VAL 82 N -1.75 2.16 0.15 0.00 1.01 -0.01 -3.30 120.40 118.66 1thm s VAL 82 Ca 0.78 0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.97 1thm s VAL 82 Cb -0.34 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1thm s VAL 82 CO 0.45 0.01 -0.13 -0.89 0.00 0.00 0.00 175.10 174.54 1thm s THR 83 N 1.11 3.03 -1.32 3.92 2.01 -1.26 -4.63 115.64 118.49 1thm s THR 83 Ca 0.73 -1.60 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 1thm s THR 83 Cb -0.48 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 69.58 1thm s THR 83 CO 0.33 -0.02 0.52 0.59 -0.69 0.00 0.00 174.62 175.34 1thm n ASN 84 N 0.36 -5.44 -0.37 3.53 3.02 -1.26 -4.91 115.26 110.19 1thm n ASN 84 Ca -0.13 -0.24 0.06 0.00 -0.03 0.00 0.00 54.58 54.24 1thm n ASN 84 Cb 0.54 -4.28 0.13 0.00 -0.61 0.00 0.00 39.78 35.56 1thm n ASN 84 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1thm n ASN 85 N -1.85 2.72 -2.05 6.41 6.94 -1.26 -4.85 115.26 121.32 1thm n ASN 85 Ca -0.10 -2.49 -0.18 0.00 -0.02 0.00 0.00 54.58 51.80 1thm n ASN 85 Cb 0.60 -0.28 -0.04 0.00 -2.36 0.00 0.00 39.78 37.71 1thm n ASN 85 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1thm n SER 86 N -0.49 -4.94 -3.95 0.53 2.88 -1.26 -4.95 113.62 101.44 1thm n SER 86 Ca 0.11 0.21 -0.12 0.00 -1.33 0.00 0.00 58.87 57.75 1thm n SER 86 Cb 0.53 -4.26 -0.13 0.00 -0.75 0.00 0.00 64.21 59.60 1thm n SER 86 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1thm s THR 87 N -2.72 0.21 0.00 2.46 2.01 -1.26 -4.60 115.64 111.73 1thm s THR 87 Ca 0.00 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.50 1thm s THR 87 Cb 0.00 -0.26 0.00 0.00 0.01 0.00 0.00 72.50 72.25 1thm s THR 87 CO 0.00 -0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.35 1thm n GLY 88 N 2.33 3.14 3.87 4.40 0.00 -1.26 -4.57 105.19 113.10 1thm n GLY 88 Ca -0.18 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 1thm n GLY 88 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1thm s ILE 89 N 0.00 1.83 -0.07 -0.61 -4.36 -1.26 -1.91 121.20 114.82 1thm s ILE 89 Ca 0.00 -1.54 -0.04 0.00 -0.26 0.00 0.00 60.65 58.81 1thm s ILE 89 Cb 0.00 -2.37 -0.04 0.00 1.25 0.00 0.00 42.46 41.30 1thm s ILE 89 CO 0.00 0.00 0.10 0.00 0.24 0.00 0.00 174.94 175.28 1thm s ALA 90 N -2.72 3.67 0.50 2.27 0.00 -1.26 -4.60 121.76 119.62 1thm s ALA 90 Ca 0.34 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.50 1thm s ALA 90 Cb -0.01 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 1thm s ALA 90 CO 0.21 0.65 0.80 0.20 0.00 0.00 0.00 175.76 177.61 1thm s GLY 91 N -1.28 1.52 0.22 0.00 0.00 -1.21 -4.79 107.32 101.77 1thm s GLY 91 Ca 0.18 -0.56 -0.02 0.00 0.00 0.00 0.00 44.72 44.32 1thm s GLY 91 CO 0.08 -0.38 1.59 -0.84 0.00 0.00 0.00 173.10 173.55 1thm h THR 92 N 0.17 1.30 -3.37 0.90 2.02 -0.94 -3.33 112.91 109.65 1thm h THR 92 Ca -0.47 -1.55 -0.65 0.00 0.77 0.00 0.00 66.41 64.52 1thm h THR 92 Cb 1.22 1.52 -0.40 0.00 -1.74 0.00 0.00 68.15 68.75 1thm h THR 92 CO 0.61 0.49 -0.57 0.00 0.37 0.00 0.00 175.52 176.42 1thm s ALA 93 N -4.27 3.44 0.41 6.16 0.00 0.01 -4.79 121.76 122.72 1thm s ALA 93 Ca -0.08 -3.36 0.15 0.00 0.00 0.00 0.00 51.96 48.67 1thm s ALA 93 Cb 0.12 -2.25 1.03 0.00 0.00 0.00 0.00 23.12 22.02 1thm s ALA 93 CO 0.83 -2.05 1.87 -1.35 0.00 0.00 0.00 175.76 175.06 1thm h PRO 94 N 6.42 0.45 -0.28 0.00 0.11 -1.63 -2.60 132.00 134.47 1thm h PRO 94 Ca -0.04 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1thm h PRO 94 Cb 0.88 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1thm h PRO 94 CO 0.70 0.30 0.00 1.63 -0.21 0.00 0.00 178.00 180.42 1thm n LYS 95 N -4.52 2.11 -1.84 1.05 5.02 0.11 -4.48 118.16 115.61 1thm n LYS 95 Ca 0.18 -1.95 -0.32 0.00 -2.02 0.00 0.00 58.31 54.19 1thm n LYS 95 Cb 0.61 -1.38 0.03 0.00 -0.02 0.00 0.00 35.03 34.27 1thm n LYS 95 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1thm s ALA 96 N -1.23 2.65 0.31 7.82 0.00 -0.98 -4.04 121.76 126.28 1thm s ALA 96 Ca 0.28 0.35 0.06 0.00 0.00 0.00 0.00 51.96 52.66 1thm s ALA 96 Cb 0.17 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 1thm s ALA 96 CO 0.23 -1.04 0.40 -1.12 0.00 0.00 0.00 175.76 174.23 1thm s SER 97 N -2.99 5.91 -0.02 0.00 0.01 -0.16 -4.94 113.70 111.50 1thm s SER 97 Ca 0.63 -0.19 0.08 0.00 1.31 0.00 0.00 55.95 57.78 1thm s SER 97 Cb -0.16 -1.33 -0.02 0.00 0.21 0.00 0.00 66.02 64.72 1thm s SER 97 CO 0.43 -0.32 -0.25 -0.63 0.41 0.00 0.00 173.24 172.87 1thm s ILE 98 N -2.15 2.10 -0.28 1.44 1.01 0.60 -0.74 121.20 123.18 1thm s ILE 98 Ca 0.41 -1.09 -0.07 0.00 0.00 0.00 0.00 60.65 59.91 1thm s ILE 98 Cb -0.09 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.66 1thm s ILE 98 CO 0.30 0.58 0.07 -0.22 0.00 0.00 0.00 174.94 175.67 1thm s LEU 99 N -0.60 3.71 -0.40 2.97 2.96 -0.30 -1.41 118.68 125.61 1thm s LEU 99 Ca 0.10 -0.59 -0.21 0.00 -0.22 0.00 0.00 54.13 53.20 1thm s LEU 99 Cb -0.10 -1.88 0.01 0.00 0.50 0.00 0.00 46.19 44.72 1thm s LEU 99 CO -0.01 -0.15 0.69 0.00 -1.32 0.00 0.00 176.35 175.56 1thm s ALA 100 N 1.52 3.38 -0.30 5.97 0.00 -0.49 -1.27 121.76 130.58 1thm s ALA 100 Ca 0.04 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.04 1thm s ALA 100 Cb -0.17 -3.30 0.07 0.00 0.00 0.00 0.00 23.12 19.72 1thm s ALA 100 CO 0.02 -1.62 -0.03 0.08 0.00 0.00 0.00 175.76 174.22 1thm s VAL 101 N 2.91 2.51 -0.33 0.00 1.01 -0.81 -2.32 120.40 123.37 1thm s VAL 101 Ca 0.26 -1.72 -0.23 0.00 0.00 0.00 0.00 61.98 60.28 1thm s VAL 101 Cb -0.14 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1thm s VAL 101 CO 0.18 -0.20 0.76 -0.60 0.00 0.00 0.00 175.10 175.24 1thm s ARG 102 N 1.11 3.86 0.00 2.72 3.52 -0.52 -1.38 118.95 128.25 1thm s ARG 102 Ca -0.03 0.42 0.00 0.00 -0.13 0.00 0.00 55.73 55.99 1thm s ARG 102 Cb -0.20 -3.76 0.00 0.00 -1.56 0.00 0.00 34.95 29.43 1thm s ARG 102 CO -0.04 -0.74 0.00 1.33 -0.81 0.00 0.00 175.30 175.04 1thm n VAL 103 N 5.63 0.00 -4.66 7.11 0.24 0.44 -0.79 118.33 126.30 1thm n VAL 103 Ca 0.03 -0.37 -0.32 0.00 -2.04 0.00 0.00 64.34 61.63 1thm n VAL 103 Cb 0.48 0.98 -0.12 0.00 -1.47 0.00 0.00 33.84 33.72 1thm n VAL 103 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1thm s LEU 104 N -1.56 2.90 0.00 1.34 1.43 -0.72 -4.46 118.68 117.62 1thm s LEU 104 Ca 0.00 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1thm s LEU 104 Cb 0.00 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.58 1thm s LEU 104 CO 0.00 0.31 0.08 -0.90 0.23 0.00 0.00 176.35 176.06 1thm n ASP 105 N 1.87 -0.02 0.30 2.29 5.68 0.24 -4.38 116.55 122.53 1thm n ASP 105 Ca -0.16 -1.02 0.17 0.00 -0.50 0.00 0.00 54.79 53.28 1thm n ASP 105 Cb 0.52 -0.06 0.94 0.00 -1.14 0.00 0.00 41.12 41.38 1thm n ASP 105 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1thm h ASN 106 N -0.12 0.00 0.94 -1.12 2.35 -1.86 -1.57 115.58 114.20 1thm h ASN 106 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1thm h ASN 106 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1thm h ASN 106 CO 0.02 0.03 -0.13 -1.54 -1.65 0.00 0.00 177.43 174.16 1thm n SER 107 N -3.53 0.23 0.00 5.81 3.41 -1.26 -4.37 113.62 113.91 1thm n SER 107 Ca -0.02 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1thm n SER 107 Cb 0.13 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1thm n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1thm n GLY 108 N 1.47 0.76 3.58 5.00 0.00 -0.59 -5.06 105.19 110.36 1thm n GLY 108 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1thm n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1thm s SER 109 N -2.11 3.33 0.00 1.61 0.15 -1.26 -4.85 113.70 110.57 1thm s SER 109 Ca 0.00 -1.47 0.00 0.00 0.70 0.00 0.00 55.95 55.18 1thm s SER 109 Cb 0.00 -0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1thm s SER 109 CO 0.00 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.41 1thm n GLY 110 N -0.93 1.54 3.80 9.45 0.00 -1.26 -0.60 105.19 117.18 1thm n GLY 110 Ca -0.07 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 1thm n GLY 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1thm s THR 111 N -2.46 4.51 0.40 2.61 -4.23 -1.26 -5.01 115.64 110.20 1thm s THR 111 Ca 0.00 -1.02 0.14 0.00 -1.18 0.00 0.00 61.69 59.63 1thm s THR 111 Cb 0.00 -3.28 0.14 0.00 1.34 0.00 0.00 72.50 70.70 1thm s THR 111 CO 0.00 -0.07 1.90 -0.50 -0.54 0.00 0.00 174.62 175.41 1thm h TRP 112 N 2.56 0.00 -0.41 3.99 -0.00 -1.99 -2.36 115.95 117.74 1thm h TRP 112 Ca -0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 58.41 1thm h TRP 112 Cb 1.19 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 30.33 1thm h TRP 112 CO 0.58 0.29 0.25 1.15 -0.00 0.00 0.00 178.44 180.71 1thm h THR 113 N 0.00 1.14 -0.40 1.49 2.02 -1.99 0.38 112.91 115.55 1thm h THR 113 Ca -0.00 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1thm h THR 113 Cb 0.52 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1thm h THR 113 CO 0.04 0.14 0.20 0.00 0.37 0.00 0.00 175.52 176.26 1thm h ALA 114 N 1.11 0.52 -0.04 6.16 0.00 -1.81 -0.84 119.26 124.37 1thm h ALA 114 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1thm h ALA 114 Cb 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1thm h ALA 114 CO -0.03 0.08 0.02 0.28 0.00 0.00 0.00 179.25 179.60 1thm h VAL 115 N 0.51 1.01 -0.74 0.00 2.07 -1.17 -0.15 116.25 117.78 1thm h VAL 115 Ca 0.14 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.68 1thm h VAL 115 Cb 0.11 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 1thm h VAL 115 CO -0.02 0.01 0.45 0.00 0.02 0.00 0.00 177.57 178.03 1thm h ALA 116 N 1.01 0.98 -0.64 1.67 0.00 -0.75 -1.23 119.26 120.30 1thm h ALA 116 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1thm h ALA 116 Cb -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1thm h ALA 116 CO -0.00 0.21 0.38 -0.91 0.00 0.00 0.00 179.25 178.92 1thm h ASN 117 N 0.86 0.78 -0.67 0.00 2.35 -0.85 -1.51 115.58 116.53 1thm h ASN 117 Ca 0.31 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1thm h ASN 117 Cb 0.08 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 1thm h ASN 117 CO -0.14 0.62 0.33 1.23 -1.65 0.00 0.00 177.43 177.82 1thm h GLY 118 N 0.87 1.03 0.91 2.83 0.00 -0.32 -0.06 103.07 108.33 1thm h GLY 118 Ca 0.23 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1thm h GLY 118 CO -0.04 0.48 -0.01 -2.22 0.00 0.00 0.00 176.54 174.75 1thm h ILE 119 N 0.93 1.26 -0.35 2.60 2.04 -1.00 -0.95 117.51 122.04 1thm h ILE 119 Ca 0.23 -0.99 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 1thm h ILE 119 Cb 0.11 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1thm h ILE 119 CO -0.03 0.32 0.21 0.74 0.00 0.00 0.00 178.15 179.40 1thm h THR 120 N 0.40 1.12 -0.26 -0.27 2.02 -1.14 -1.97 112.91 112.81 1thm h THR 120 Ca 0.09 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 67.04 1thm h THR 120 Cb 0.47 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1thm h THR 120 CO 0.02 0.11 0.08 0.22 0.37 0.00 0.00 175.52 176.33 1thm h TYR 121 N 0.46 0.15 -0.65 3.16 3.20 -0.94 -0.65 116.97 121.70 1thm h TYR 121 Ca 0.13 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.02 1thm h TYR 121 Cb -0.00 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 1thm h TYR 121 CO -0.04 0.07 0.43 0.00 -1.64 0.00 0.00 178.16 176.97 1thm h ALA 122 N 1.17 0.82 -0.73 1.82 0.00 -0.94 -0.15 119.26 121.24 1thm h ALA 122 Ca 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1thm h ALA 122 Cb 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1thm h ALA 122 CO -0.12 0.25 0.29 0.00 0.00 0.00 0.00 179.25 179.67 1thm h ALA 123 N 1.24 0.95 0.00 0.00 0.00 -1.05 -1.86 119.26 118.54 1thm h ALA 123 Ca 0.24 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1thm h ALA 123 Cb -0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1thm h ALA 123 CO -0.05 0.58 -0.26 -0.44 0.00 0.00 0.00 179.25 179.07 1thm h ASP 124 N 1.05 0.00 -0.05 0.00 3.32 -0.53 -1.81 116.42 118.40 1thm h ASP 124 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1thm h ASP 124 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1thm h ASP 124 CO -0.02 0.26 0.00 0.00 -1.72 0.00 0.00 179.24 177.76 1thm n GLN 125 N -4.14 1.39 -1.46 3.56 1.13 -0.12 -4.93 117.38 112.81 1thm n GLN 125 Ca -0.02 -0.58 -0.01 0.00 -1.94 0.00 0.00 57.00 54.44 1thm n GLN 125 Cb 0.32 -1.43 -0.00 0.00 0.11 0.00 0.00 30.24 29.24 1thm n GLN 125 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1thm n GLY 126 N 1.05 0.42 3.69 1.08 0.00 -0.68 -5.02 105.19 105.72 1thm n GLY 126 Ca 0.18 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 1thm n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1thm s ALA 127 N -2.06 3.59 -0.55 4.61 0.00 -0.73 -4.76 121.76 121.86 1thm s ALA 127 Ca 0.00 0.90 0.24 0.00 0.00 0.00 0.00 51.96 53.11 1thm s ALA 127 Cb 0.00 -3.61 0.54 0.00 0.00 0.00 0.00 23.12 20.06 1thm s ALA 127 CO 0.00 -0.95 1.68 0.87 0.00 0.00 0.00 175.76 177.36 1thm h LYS 128 N 7.93 0.00 -4.19 0.00 1.57 -1.71 -3.43 116.57 116.73 1thm h LYS 128 Ca -0.38 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.02 1thm h LYS 128 Cb 1.18 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.17 1thm h LYS 128 CO 0.91 0.00 -0.77 0.08 -0.57 0.00 0.00 179.45 179.10 1thm s VAL 129 N -3.17 0.50 -0.20 0.50 1.01 -1.19 -1.16 120.40 116.69 1thm s VAL 129 Ca 0.08 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1thm s VAL 129 Cb 0.08 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 36.00 1thm s VAL 129 CO 0.64 0.18 -0.17 -0.63 0.00 0.00 0.00 175.10 175.12 1thm s ILE 130 N 0.45 2.13 -0.23 2.22 1.01 0.82 -0.64 121.20 126.96 1thm s ILE 130 Ca -0.06 -1.10 -0.06 0.00 0.00 0.00 0.00 60.65 59.43 1thm s ILE 130 Cb -0.09 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 1thm s ILE 130 CO -0.00 0.39 0.03 -0.55 0.00 0.00 0.00 174.94 174.81 1thm s SER 131 N 1.25 4.90 -0.58 3.58 0.15 0.04 -1.14 113.70 121.89 1thm s SER 131 Ca 0.02 -0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.44 1thm s SER 131 Cb -0.15 -1.87 0.15 0.00 -1.71 0.00 0.00 66.02 62.44 1thm s SER 131 CO -0.11 -0.01 0.35 -0.76 1.20 0.00 0.00 173.24 173.91 1thm s LEU 132 N 1.47 4.66 -1.39 3.45 1.43 -0.04 -2.30 118.68 125.96 1thm s LEU 132 Ca 0.05 -3.09 -0.09 0.00 -1.03 0.00 0.00 54.13 49.98 1thm s LEU 132 Cb -0.15 -1.71 0.08 0.00 0.03 0.00 0.00 46.19 44.45 1thm s LEU 132 CO 0.02 -0.25 2.32 -1.20 0.23 0.00 0.00 176.35 177.47 1thm n SER 133 N 3.06 6.71 -3.58 2.29 7.64 -1.26 -1.72 113.62 126.76 1thm n SER 133 Ca 0.08 -2.98 -0.09 0.00 1.01 0.00 0.00 58.87 56.89 1thm n SER 133 Cb 0.34 -1.48 -0.02 0.00 -1.01 0.00 0.00 64.21 62.05 1thm n SER 133 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1thm s LEU 134 N -0.48 -0.41 0.00 -3.43 0.05 -1.26 -4.85 118.68 108.29 1thm s LEU 134 Ca 0.52 -0.19 0.00 0.00 0.05 0.00 0.00 54.13 54.51 1thm s LEU 134 Cb 0.15 2.47 0.00 0.00 -2.05 0.00 0.00 46.19 46.76 1thm s LEU 134 CO -0.06 -0.99 0.00 0.61 -0.55 0.00 0.00 176.35 175.37 1thm n GLY 135 N -0.38 0.84 3.33 -3.48 0.00 -1.26 -4.30 105.19 99.93 1thm n GLY 135 Ca -0.11 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.12 1thm n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1thm s GLY 136 N 0.00 1.55 0.10 -0.02 0.00 -0.25 -4.89 107.32 103.81 1thm s GLY 136 Ca 0.00 -1.77 0.26 0.00 0.00 0.00 0.00 44.72 43.21 1thm s GLY 136 CO 0.00 -1.66 1.80 -1.30 0.00 0.00 0.00 173.10 171.94 1thm n THR 137 N -0.41 0.41 -4.21 0.90 -2.24 -1.26 -0.61 114.28 106.86 1thm n THR 137 Ca -0.05 -0.04 -0.16 0.00 -2.27 0.00 0.00 64.05 61.53 1thm n THR 137 Cb 0.64 -0.66 -0.14 0.00 -2.10 0.00 0.00 70.33 68.07 1thm n THR 137 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1thm s VAL 138 N -3.07 0.60 1.08 2.28 -7.23 -1.26 -4.85 120.40 107.95 1thm s VAL 138 Ca 0.11 -0.57 -0.17 0.00 -1.81 0.00 0.00 61.98 59.54 1thm s VAL 138 Cb 0.15 -0.55 0.23 0.00 0.56 0.00 0.00 36.38 36.77 1thm s VAL 138 CO 0.50 -0.00 1.18 -0.83 -0.31 0.00 0.00 175.10 175.65 1thm s GLY 139 N -0.63 1.64 -0.21 2.32 0.00 -1.26 -4.79 107.32 104.40 1thm s GLY 139 Ca -0.01 -0.95 -0.12 0.00 0.00 0.00 0.00 44.72 43.64 1thm s GLY 139 CO 0.00 -0.16 0.52 0.21 0.00 0.00 0.00 173.10 173.68 1thm s ASN 140 N -4.22 -0.68 0.39 1.64 3.84 -1.26 -5.06 114.94 109.59 1thm s ASN 140 Ca 0.71 1.14 0.07 0.00 0.21 0.00 0.00 52.86 54.98 1thm s ASN 140 Cb -0.09 1.02 0.80 0.00 -0.55 0.00 0.00 41.25 42.44 1thm s ASN 140 CO 0.55 -0.21 2.00 0.77 -2.79 0.00 0.00 177.10 177.42 1thm h SER 141 N 6.93 0.43 -0.53 -4.21 4.64 -1.99 -1.04 113.55 117.77 1thm h SER 141 Ca -0.34 -0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 60.85 1thm h SER 141 Cb 1.20 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 1thm h SER 141 CO 0.24 0.39 -0.05 1.23 -0.87 0.00 0.00 176.83 177.77 1thm h GLY 142 N 0.62 1.05 0.86 -0.77 0.00 -1.97 -0.54 103.07 102.34 1thm h GLY 142 Ca 0.12 -0.81 -0.02 0.00 0.00 0.00 0.00 47.33 46.62 1thm h GLY 142 CO -0.01 0.74 0.06 -2.00 0.00 0.00 0.00 176.54 175.33 1thm h LEU 143 N 0.85 0.33 -0.56 3.11 5.85 -1.70 -1.37 115.31 121.82 1thm h LEU 143 Ca 0.15 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1thm h LEU 143 Cb 0.60 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1thm h LEU 143 CO 0.04 0.47 0.37 -0.61 -0.34 0.00 0.00 178.44 178.37 1thm h GLN 144 N 0.18 0.75 -0.61 1.25 4.15 -1.11 -0.90 115.11 118.82 1thm h GLN 144 Ca 0.07 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.45 1thm h GLN 144 Cb 0.27 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 1thm h GLN 144 CO 0.00 0.50 0.39 0.37 -1.93 0.00 0.00 178.83 178.17 1thm h GLN 145 N 0.76 0.77 -0.55 1.69 4.15 -0.96 -1.06 115.11 119.91 1thm h GLN 145 Ca 0.21 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.54 1thm h GLN 145 Cb -0.07 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.42 1thm h GLN 145 CO -0.04 0.51 0.18 0.00 -1.93 0.00 0.00 178.83 177.54 1thm h ALA 146 N 1.24 0.71 -0.26 3.38 0.00 -0.72 0.09 119.26 123.69 1thm h ALA 146 Ca 0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1thm h ALA 146 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1thm h ALA 146 CO -0.07 0.37 0.16 0.28 0.00 0.00 0.00 179.25 179.99 1thm h VAL 147 N 0.76 1.09 -0.72 0.00 2.07 -0.77 -1.51 116.25 117.17 1thm h VAL 147 Ca 0.18 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1thm h VAL 147 Cb 0.27 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1thm h VAL 147 CO -0.01 0.09 0.27 0.78 0.02 0.00 0.00 177.57 178.72 1thm h ASN 148 N 0.34 1.00 -0.18 0.57 2.35 -1.02 -1.67 115.58 116.97 1thm h ASN 148 Ca 0.10 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1thm h ASN 148 Cb 0.01 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1thm h ASN 148 CO -0.02 0.90 0.11 0.22 -1.65 0.00 0.00 177.43 176.99 1thm h TYR 149 N 1.05 0.23 -0.03 1.19 3.20 -0.76 -0.68 116.97 121.18 1thm h TYR 149 Ca 0.24 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.11 1thm h TYR 149 Cb 0.23 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 1thm h TYR 149 CO 0.02 0.18 0.01 0.00 -1.64 0.00 0.00 178.16 176.74 1thm h ALA 150 N 1.03 0.03 -0.11 1.82 0.00 -1.01 -1.75 119.26 119.27 1thm h ALA 150 Ca 0.06 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1thm h ALA 150 Cb 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1thm h ALA 150 CO -0.01 -0.43 -0.08 2.35 0.00 0.00 0.00 179.25 181.08 1thm h TRP 151 N -0.03 -0.19 0.00 0.00 2.91 -1.23 -0.10 115.95 117.31 1thm h TRP 151 Ca 0.01 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.04 1thm h TRP 151 Cb 0.07 0.10 0.00 0.00 -0.51 0.00 0.00 29.16 28.82 1thm h TRP 151 CO -0.05 -0.12 0.00 -0.91 -1.03 0.00 0.00 178.44 176.32 1thm h ASN 152 N -0.09 0.00 0.05 2.65 2.35 -0.95 -0.83 115.58 118.77 1thm h ASN 152 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1thm h ASN 152 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1thm h ASN 152 CO -0.16 0.00 -0.12 0.29 -1.65 0.00 0.00 177.43 175.79 1thm n LYS 153 N -2.73 1.49 0.00 0.81 5.02 -0.67 -4.95 118.16 117.13 1thm n LYS 153 Ca -0.00 -0.98 0.00 0.00 -2.02 0.00 0.00 58.31 55.30 1thm n LYS 153 Cb 0.17 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1thm n LYS 153 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1thm n GLY 154 N 1.27 1.01 3.71 0.72 0.00 -0.32 -5.08 105.19 106.51 1thm n GLY 154 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1thm n GLY 154 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1thm s SER 155 N -2.00 5.47 -0.02 1.61 0.01 -0.10 -4.51 113.70 114.17 1thm s SER 155 Ca 0.00 0.20 -0.25 0.00 1.31 0.00 0.00 55.95 57.20 1thm s SER 155 Cb 0.00 -1.62 -0.04 0.00 0.21 0.00 0.00 66.02 64.56 1thm s SER 155 CO 0.00 0.37 0.78 -0.69 0.41 0.00 0.00 173.24 174.11 1thm s VAL 156 N -0.81 4.91 -0.19 3.43 1.01 -0.31 -3.61 120.40 124.83 1thm s VAL 156 Ca 0.13 1.64 -0.04 0.00 0.00 0.00 0.00 61.98 63.70 1thm s VAL 156 Cb -0.12 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 1thm s VAL 156 CO 0.02 0.27 -0.03 -0.69 0.00 0.00 0.00 175.10 174.68 1thm s VAL 157 N 0.58 3.78 -0.06 2.92 1.01 -1.26 -0.13 120.40 127.24 1thm s VAL 157 Ca 0.41 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.06 1thm s VAL 157 Cb -0.19 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1thm s VAL 157 CO 0.22 0.45 -0.22 -0.69 0.00 0.00 0.00 175.10 174.86 1thm s VAL 158 N 0.86 1.84 0.01 2.92 1.01 -0.29 -1.06 120.40 125.69 1thm s VAL 158 Ca -0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 1thm s VAL 158 Cb -0.14 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 1thm s VAL 158 CO 0.02 0.51 0.04 0.00 0.00 0.00 0.00 175.10 175.67 1thm s ALA 159 N 0.03 -0.06 0.20 5.51 0.00 0.03 -0.86 121.76 126.62 1thm s ALA 159 Ca -0.07 -0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 1thm s ALA 159 Cb -0.14 0.12 -0.08 0.00 0.00 0.00 0.00 23.12 23.01 1thm s ALA 159 CO 0.04 -0.17 1.18 0.00 0.00 0.00 0.00 175.76 176.82 1thm s ALA 160 N -1.31 3.43 0.21 0.00 0.00 -0.70 -1.17 121.76 122.22 1thm s ALA 160 Ca -0.14 0.94 0.18 0.00 0.00 0.00 0.00 51.96 52.95 1thm s ALA 160 Cb -0.08 -3.40 0.72 0.00 0.00 0.00 0.00 23.12 20.36 1thm s ALA 160 CO 0.00 -0.34 1.76 0.00 0.00 0.00 0.00 175.76 177.18 1thm h ALA 161 N 4.95 1.04 0.00 0.00 0.00 -1.23 -3.41 119.26 120.61 1thm h ALA 161 Ca -0.45 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1thm h ALA 161 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1thm h ALA 161 CO 0.73 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.85 1thm n GLY 162 N 0.11 2.99 2.11 0.00 0.00 -1.26 -4.34 105.19 104.80 1thm n GLY 162 Ca -0.01 -2.03 -0.23 0.00 0.00 0.00 0.00 46.02 43.76 1thm n GLY 162 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1thm n ASN 163 N 0.00 4.68 -0.27 1.61 3.02 -1.26 -0.93 115.26 122.11 1thm n ASN 163 Ca 0.00 -3.63 0.11 0.00 -0.03 0.00 0.00 54.58 51.03 1thm n ASN 163 Cb 0.00 -0.36 0.10 0.00 -0.61 0.00 0.00 39.78 38.91 1thm n ASN 163 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1thm n ALA 164 N -0.68 3.71 -2.46 5.41 0.00 -1.04 -4.75 120.51 120.69 1thm n ALA 164 Ca 0.41 -0.54 -0.20 0.00 0.00 0.00 0.00 53.44 53.11 1thm n ALA 164 Cb 0.94 -0.91 -0.00 0.00 0.00 0.00 0.00 19.45 19.47 1thm n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1thm n GLY 165 N 1.43 -0.44 0.98 0.00 0.00 -0.41 -4.91 105.19 101.83 1thm n GLY 165 Ca 0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 1thm n GLY 165 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1thm n ASN 166 N -1.83 -0.30 -1.26 1.61 0.23 -1.26 -4.93 115.26 107.52 1thm n ASN 166 Ca -0.21 -1.62 0.12 0.00 -0.53 0.00 0.00 54.58 52.34 1thm n ASN 166 Cb 0.67 0.62 0.27 0.00 -2.08 0.00 0.00 39.78 39.26 1thm n ASN 166 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1thm n THR 167 N -0.18 0.78 -1.98 5.53 -2.24 -1.25 -1.64 114.28 113.29 1thm n THR 167 Ca 0.01 -0.89 -0.41 0.00 -2.27 0.00 0.00 64.05 60.49 1thm n THR 167 Cb 0.18 0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 69.11 1thm n THR 167 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1thm s ALA 168 N -1.22 3.62 0.55 6.98 0.00 -1.26 -4.87 121.76 125.56 1thm s ALA 168 Ca 0.44 1.37 -0.21 0.00 0.00 0.00 0.00 51.96 53.56 1thm s ALA 168 Cb 0.24 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 1thm s ALA 168 CO 0.32 -0.79 1.27 -2.14 0.00 0.00 0.00 175.76 174.43 1thm s PRO 169 N -0.71 3.17 0.02 0.00 0.02 -1.26 -4.92 135.00 131.32 1thm s PRO 169 Ca 0.58 2.02 0.07 0.00 0.02 0.00 0.00 61.00 63.69 1thm s PRO 169 Cb -0.43 -2.17 -0.02 0.00 0.02 0.00 0.00 34.50 31.90 1thm s PRO 169 CO 0.47 -1.10 -0.20 -0.80 -0.33 0.00 0.00 177.00 175.04 1thm s ASN 170 N -1.24 2.36 -0.01 2.53 -0.87 -1.26 -4.61 114.94 111.84 1thm s ASN 170 Ca 0.72 -0.44 0.05 0.00 -1.57 0.00 0.00 52.86 51.62 1thm s ASN 170 Cb -0.35 -0.23 -0.03 0.00 -0.02 0.00 0.00 41.25 40.62 1thm s ASN 170 CO 0.41 0.19 -0.15 -0.31 -2.57 0.00 0.00 177.10 174.67 1thm s TYR 171 N -0.64 2.67 -1.96 2.20 1.51 0.22 -0.58 117.35 120.78 1thm s TYR 171 Ca 0.07 -0.18 0.32 0.00 -1.01 0.00 0.00 57.07 56.27 1thm s TYR 171 Cb -0.08 -1.57 1.83 0.00 -0.11 0.00 0.00 41.96 42.03 1thm s TYR 171 CO 0.01 0.23 2.19 -0.35 -1.11 0.00 0.00 175.55 176.51 1thm n PRO 172 N 1.98 0.97 -0.23 -1.71 -0.04 -1.26 -1.08 135.00 133.62 1thm n PRO 172 Ca -0.17 -0.04 0.16 0.00 -0.04 0.00 0.00 63.50 63.42 1thm n PRO 172 Cb 0.52 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.96 1thm n PRO 172 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1thm h ALA 173 N 3.96 2.09 0.00 0.55 0.00 -1.76 -1.69 119.26 122.41 1thm h ALA 173 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1thm h ALA 173 Cb 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1thm h ALA 173 CO 0.00 -0.35 -0.02 -0.92 0.00 0.00 0.00 179.25 177.97 1thm h TYR 174 N 0.47 0.00 -4.00 0.00 3.20 -1.20 -3.37 116.97 112.07 1thm h TYR 174 Ca 0.44 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.78 1thm h TYR 174 Cb 0.98 0.00 0.09 0.00 1.54 0.00 0.00 36.73 39.34 1thm h TYR 174 CO -0.00 0.02 0.56 0.71 -1.64 0.00 0.00 178.16 177.81 1thm s TYR 175 N -3.77 2.69 0.31 -3.82 2.02 -0.64 -4.92 117.35 109.23 1thm s TYR 175 Ca -0.00 1.45 0.02 0.00 -0.37 0.00 0.00 57.07 58.17 1thm s TYR 175 Cb 0.10 -3.59 0.57 0.00 -0.40 0.00 0.00 41.96 38.64 1thm s TYR 175 CO 0.53 -2.09 1.92 0.77 -1.57 0.00 0.00 175.55 175.11 1thm h SER 176 N 2.09 0.86 -0.09 2.29 0.02 -1.89 -2.19 113.55 114.64 1thm h SER 176 Ca -0.50 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1thm h SER 176 Cb 1.26 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1thm h SER 176 CO 0.60 0.55 0.00 0.59 -1.14 0.00 0.00 176.83 177.43 1thm n ASN 177 N -4.49 0.72 -4.72 3.07 3.02 -1.26 -4.80 115.26 106.81 1thm n ASN 177 Ca 0.13 -1.69 -0.28 0.00 -0.03 0.00 0.00 54.58 52.71 1thm n ASN 177 Cb 0.21 -0.06 -0.07 0.00 -0.61 0.00 0.00 39.78 39.24 1thm n ASN 177 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1thm s ALA 178 N -1.88 3.36 -0.35 5.41 0.00 -0.82 -4.45 121.76 123.03 1thm s ALA 178 Ca 0.23 -1.19 -0.16 0.00 0.00 0.00 0.00 51.96 50.85 1thm s ALA 178 Cb 0.12 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 1thm s ALA 178 CO 0.18 0.61 0.39 0.42 0.00 0.00 0.00 175.76 177.36 1thm s ILE 179 N -1.52 5.14 -0.01 0.00 1.01 -0.22 -4.86 121.20 120.74 1thm s ILE 179 Ca 0.28 0.07 -0.22 0.00 0.00 0.00 0.00 60.65 60.77 1thm s ILE 179 Cb -0.11 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 1thm s ILE 179 CO 0.20 -0.14 0.66 0.00 0.00 0.00 0.00 174.94 175.66 1thm s ALA 180 N 2.09 3.41 -0.13 9.38 0.00 -1.26 -0.79 121.76 134.47 1thm s ALA 180 Ca 0.13 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.23 1thm s ALA 180 Cb -0.16 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.10 1thm s ALA 180 CO 0.12 0.06 -0.21 0.08 0.00 0.00 0.00 175.76 175.81 1thm s VAL 181 N 0.16 1.93 0.47 0.00 1.01 -0.32 -2.00 120.40 121.65 1thm s VAL 181 Ca 0.34 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1thm s VAL 181 Cb -0.18 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.50 1thm s VAL 181 CO 0.19 0.52 0.66 0.00 0.00 0.00 0.00 175.10 176.47 1thm s ALA 182 N 0.82 4.07 -0.10 5.51 0.00 -0.23 -0.74 121.76 131.09 1thm s ALA 182 Ca -0.08 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.50 1thm s ALA 182 Cb -0.16 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 1thm s ALA 182 CO -0.01 -0.46 -0.05 0.45 0.00 0.00 0.00 175.76 175.69 1thm s SER 183 N -4.33 4.74 0.40 0.00 0.15 -1.26 -1.58 113.70 111.82 1thm s SER 183 Ca 0.53 -0.05 0.07 0.00 0.70 0.00 0.00 55.95 57.21 1thm s SER 183 Cb -0.10 -1.41 -0.08 0.00 -1.71 0.00 0.00 66.02 62.72 1thm s SER 183 CO 0.36 0.30 0.00 0.42 1.20 0.00 0.00 173.24 175.52 1thm s THR 184 N -0.41 2.03 0.16 6.45 -4.23 -0.46 -0.95 115.64 118.23 1thm s THR 184 Ca 0.06 -2.01 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 1thm s THR 184 Cb -0.12 -2.97 0.02 0.00 1.34 0.00 0.00 72.50 70.77 1thm s THR 184 CO 0.02 -0.02 0.12 -0.90 -0.54 0.00 0.00 174.62 173.31 1thm n ASP 185 N -0.96 1.45 0.32 3.99 5.68 -0.19 -0.92 116.55 125.92 1thm n ASP 185 Ca -0.05 -1.54 0.20 0.00 -0.50 0.00 0.00 54.79 52.89 1thm n ASP 185 Cb 0.67 -0.02 1.08 0.00 -1.14 0.00 0.00 41.12 41.70 1thm n ASP 185 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1thm h GLN 186 N 0.00 0.00 -0.58 0.11 4.15 -1.89 -1.34 115.11 115.57 1thm h GLN 186 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1thm h GLN 186 Cb 0.37 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1thm h GLN 186 CO 0.16 0.00 0.00 0.09 -1.93 0.00 0.00 178.83 177.15 1thm n ASN 187 N -3.38 4.13 -1.74 -0.69 3.02 -1.26 -4.94 115.26 110.39 1thm n ASN 187 Ca -0.03 -2.30 -0.16 0.00 -0.03 0.00 0.00 54.58 52.06 1thm n ASN 187 Cb 0.10 -0.49 -0.01 0.00 -0.61 0.00 0.00 39.78 38.78 1thm n ASN 187 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1thm n ASP 188 N 0.98 -4.75 -4.91 6.41 8.00 -0.50 -5.01 116.55 116.76 1thm n ASP 188 Ca 0.22 0.03 -0.31 0.00 0.71 0.00 0.00 54.79 55.44 1thm n ASP 188 Cb 0.73 -3.85 -0.04 0.00 -0.02 0.00 0.00 41.12 37.94 1thm n ASP 188 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1thm s ASN 189 N -2.34 6.42 0.26 -2.24 0.01 -1.26 -4.79 114.94 110.99 1thm s ASN 189 Ca 0.00 0.43 -0.30 0.00 -0.71 0.00 0.00 52.86 52.27 1thm s ASN 189 Cb 0.00 -2.02 -0.11 0.00 0.41 0.00 0.00 41.25 39.53 1thm s ASN 189 CO 0.00 0.09 1.56 -0.75 -1.51 0.00 0.00 177.10 176.50 1thm s LYS 190 N -2.66 4.17 0.42 -0.60 2.20 -1.26 -1.03 119.74 120.98 1thm s LYS 190 Ca 0.38 2.48 -0.25 0.00 -0.36 0.00 0.00 55.97 58.22 1thm s LYS 190 Cb -0.12 -3.07 -0.08 0.00 -1.51 0.00 0.00 37.83 33.05 1thm s LYS 190 CO 0.27 -0.59 1.30 -1.12 -0.36 0.00 0.00 175.35 174.85 1thm s SER 191 N 0.60 6.21 0.38 1.43 0.01 -0.12 -4.81 113.70 117.40 1thm s SER 191 Ca 0.64 2.64 0.10 0.00 1.31 0.00 0.00 55.95 60.64 1thm s SER 191 Cb -0.46 -2.64 0.87 0.00 0.21 0.00 0.00 66.02 64.01 1thm s SER 191 CO 0.43 -0.92 1.92 0.77 0.41 0.00 0.00 173.24 175.85 1thm h SER 192 N 2.52 0.56 1.21 2.44 4.64 -1.92 -2.03 113.55 120.98 1thm h SER 192 Ca -0.50 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1thm h SER 192 Cb 1.25 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1thm h SER 192 CO 0.62 0.32 -0.21 2.22 -0.87 0.00 0.00 176.83 178.91 1thm n PHE 193 N -4.50 0.71 -1.83 4.77 1.16 -1.26 -4.62 117.46 111.88 1thm n PHE 193 Ca 0.13 0.21 -0.41 0.00 -1.87 0.00 0.00 57.45 55.50 1thm n PHE 193 Cb 0.39 -0.79 -0.02 0.00 -1.61 0.00 0.00 39.48 37.45 1thm n PHE 193 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1thm s SER 194 N -4.25 6.44 0.63 5.98 0.15 -0.77 -1.29 113.70 120.59 1thm s SER 194 Ca 0.10 2.89 -0.16 0.00 0.70 0.00 0.00 55.95 59.47 1thm s SER 194 Cb 0.13 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.80 1thm s SER 194 CO 0.63 -0.87 1.10 -0.89 1.20 0.00 0.00 173.24 174.42 1thm s THR 195 N -0.01 3.33 0.27 6.45 2.01 -0.11 -3.50 115.64 124.09 1thm s THR 195 Ca 0.62 0.65 -0.16 0.00 0.31 0.00 0.00 61.69 63.11 1thm s THR 195 Cb -0.46 -3.18 0.01 0.00 0.01 0.00 0.00 72.50 68.88 1thm s THR 195 CO 0.47 -0.35 0.60 -0.72 -0.69 0.00 0.00 174.62 173.93 1thm s TYR 196 N -2.26 0.13 0.00 4.92 1.13 -0.65 -4.70 117.35 115.91 1thm s TYR 196 Ca 0.67 -0.55 0.00 0.00 -1.41 0.00 0.00 57.07 55.78 1thm s TYR 196 Cb -0.20 0.45 0.00 0.00 -1.10 0.00 0.00 41.96 41.11 1thm s TYR 196 CO 0.38 -1.14 0.00 0.41 -2.51 0.00 0.00 175.55 172.69 1thm n GLY 197 N -0.43 2.66 0.28 5.49 0.00 -0.17 -3.91 105.19 109.11 1thm n GLY 197 Ca -0.03 -1.40 0.13 0.00 0.00 0.00 0.00 46.02 44.72 1thm n GLY 197 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1thm h SER 198 N 0.00 0.00 1.26 1.61 0.02 -1.84 -1.80 113.55 112.81 1thm h SER 198 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1thm h SER 198 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1thm h SER 198 CO 0.00 0.04 0.00 -2.67 -1.14 0.00 0.00 176.83 173.06 1thm n TRP 199 N -3.94 0.86 -2.75 3.45 4.27 -1.26 -4.28 117.44 113.80 1thm n TRP 199 Ca -0.03 0.27 -0.42 0.00 -3.89 0.00 0.00 57.50 53.44 1thm n TRP 199 Cb 0.12 -0.94 -0.04 0.00 -1.36 0.00 0.00 31.31 29.10 1thm n TRP 199 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1thm s VAL 200 N -3.15 4.78 -0.12 -1.67 1.01 -0.68 -4.80 120.40 115.77 1thm s VAL 200 Ca 0.09 2.01 -0.15 0.00 0.00 0.00 0.00 61.98 63.92 1thm s VAL 200 Cb 0.12 -4.29 -0.14 0.00 0.00 0.00 0.00 36.38 32.07 1thm s VAL 200 CO 0.54 0.22 0.43 0.44 0.00 0.00 0.00 175.10 176.73 1thm h ASP 201 N 6.43 -0.01 -5.52 3.32 3.32 -1.70 0.26 116.42 122.53 1thm h ASP 201 Ca -0.42 -0.51 -0.27 0.00 0.02 0.00 0.00 57.03 55.85 1thm h ASP 201 Cb 1.22 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.62 1thm h ASP 201 CO 0.74 0.74 -0.61 0.68 -1.72 0.00 0.00 179.24 179.07 1thm s VAL 202 N -1.99 0.05 0.21 -1.35 -7.23 -0.91 -1.07 120.40 108.12 1thm s VAL 202 Ca -0.10 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.17 1thm s VAL 202 Cb -0.01 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.37 1thm s VAL 202 CO 0.37 0.00 -0.20 0.00 -0.31 0.00 0.00 175.10 174.95 1thm s ALA 203 N -4.05 2.40 0.12 1.32 0.00 -0.32 -1.07 121.76 120.16 1thm s ALA 203 Ca 0.39 -1.68 -0.18 0.00 0.00 0.00 0.00 51.96 50.49 1thm s ALA 203 Cb 0.07 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.99 1thm s ALA 203 CO 0.14 0.29 0.45 0.00 0.00 0.00 0.00 175.76 176.63 1thm s ALA 204 N -2.18 -1.09 0.14 0.00 0.00 -0.62 -1.31 121.76 116.72 1thm s ALA 204 Ca 0.22 0.12 -0.32 0.00 0.00 0.00 0.00 51.96 51.99 1thm s ALA 204 Cb -0.06 0.68 -0.12 0.00 0.00 0.00 0.00 23.12 23.62 1thm s ALA 204 CO 0.10 -0.64 1.77 -2.30 0.00 0.00 0.00 175.76 174.69 1thm n PRO 205 N -0.14 2.65 0.00 0.00 -0.02 -1.26 -1.36 135.00 134.87 1thm n PRO 205 Ca -0.17 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1thm n PRO 205 Cb 0.63 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1thm n PRO 205 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1thm n GLY 206 N 4.04 0.75 3.72 -1.23 0.00 -0.10 -3.38 105.19 109.00 1thm n GLY 206 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1thm n GLY 206 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1thm s SER 207 N -0.05 6.57 -1.26 1.61 0.01 -1.15 -0.66 113.70 118.77 1thm s SER 207 Ca 0.00 0.68 -0.12 0.00 1.31 0.00 0.00 55.95 57.82 1thm s SER 207 Cb 0.00 -2.25 -0.00 0.00 0.21 0.00 0.00 66.02 63.98 1thm s SER 207 CO 0.00 0.01 0.63 -1.20 0.41 0.00 0.00 173.24 173.09 1thm n SER 208 N 3.78 -2.98 -4.64 2.44 7.64 -1.21 -4.80 113.62 113.86 1thm n SER 208 Ca -0.09 -1.02 -0.39 0.00 1.01 0.00 0.00 58.87 58.38 1thm n SER 208 Cb 0.52 -3.16 -0.07 0.00 -1.01 0.00 0.00 64.21 60.48 1thm n SER 208 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1thm s ILE 209 N -3.68 5.10 -0.15 0.44 -1.09 -0.35 -4.83 121.20 116.64 1thm s ILE 209 Ca 0.26 0.88 -0.19 0.00 -2.23 0.00 0.00 60.65 59.37 1thm s ILE 209 Cb -0.10 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 1thm s ILE 209 CO 0.88 0.15 0.55 -0.47 -1.23 0.00 0.00 174.94 174.81 1thm s TYR 210 N 1.88 3.46 0.28 3.97 5.04 -1.26 -1.76 117.35 128.96 1thm s TYR 210 Ca 0.22 0.92 -0.06 0.00 -2.44 0.00 0.00 57.07 55.70 1thm s TYR 210 Cb -0.15 -2.66 0.02 0.00 0.35 0.00 0.00 41.96 39.52 1thm s TYR 210 CO 0.09 0.03 0.48 0.45 -1.34 0.00 0.00 175.55 175.25 1thm n SER 211 N 4.22 -1.36 -4.76 4.32 2.88 -0.35 -4.94 113.62 113.63 1thm n SER 211 Ca -0.05 -2.31 -0.37 0.00 -1.33 0.00 0.00 58.87 54.81 1thm n SER 211 Cb 0.51 2.37 0.02 0.00 -0.75 0.00 0.00 64.21 66.36 1thm n SER 211 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1thm s THR 212 N -2.53 2.61 -0.11 2.46 -4.23 -1.26 -1.21 115.64 111.37 1thm s THR 212 Ca 0.17 0.45 -0.19 0.00 -1.18 0.00 0.00 61.69 60.94 1thm s THR 212 Cb -0.02 -3.22 0.04 0.00 1.34 0.00 0.00 72.50 70.64 1thm s THR 212 CO 0.12 -0.01 0.47 -0.47 -0.54 0.00 0.00 174.62 174.18 1thm s TYR 213 N -1.45 -0.45 0.44 3.99 5.04 -0.23 -2.60 117.35 122.10 1thm s TYR 213 Ca 0.69 0.96 -0.22 0.00 -2.44 0.00 0.00 57.07 56.05 1thm s TYR 213 Cb -0.34 0.20 -0.09 0.00 0.35 0.00 0.00 41.96 42.08 1thm s TYR 213 CO 0.40 -0.36 1.03 -1.25 -1.34 0.00 0.00 175.55 174.03 1thm s PRO 214 N -0.48 4.01 -0.30 4.97 0.05 -1.26 -0.92 135.00 141.06 1thm s PRO 214 Ca -0.06 1.38 -0.11 0.00 0.05 0.00 0.00 61.00 62.26 1thm s PRO 214 Cb -0.03 -2.29 -0.03 0.00 0.05 0.00 0.00 34.50 32.20 1thm s PRO 214 CO 0.03 -0.25 0.18 0.99 0.05 0.00 0.00 177.00 178.01 1thm s THR 215 N -1.88 5.01 -1.52 1.26 2.01 -1.26 -4.73 115.64 114.53 1thm s THR 215 Ca 0.63 -0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.35 1thm s THR 215 Cb -0.17 -3.49 0.08 0.00 0.01 0.00 0.00 72.50 68.93 1thm s THR 215 CO 0.22 0.12 0.97 -1.20 -0.69 0.00 0.00 174.62 174.04 1thm n SER 216 N 5.04 -4.62 -0.64 3.53 7.64 -1.21 -4.96 113.62 118.41 1thm n SER 216 Ca -0.14 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 58.96 1thm n SER 216 Cb 0.50 -3.88 0.00 0.00 -1.01 0.00 0.00 64.21 59.82 1thm n SER 216 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1thm n THR 217 N -4.67 0.00 -3.98 0.44 5.66 -0.10 -4.92 114.28 106.72 1thm n THR 217 Ca 0.02 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.94 1thm n THR 217 Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.22 1thm n THR 217 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1thm s TYR 218 N -1.00 0.29 0.12 1.09 1.51 -1.26 -1.07 117.35 117.03 1thm s TYR 218 Ca 0.00 -0.65 -0.24 0.00 -1.01 0.00 0.00 57.07 55.17 1thm s TYR 218 Cb 0.00 -0.21 0.07 0.00 -0.11 0.00 0.00 41.96 41.71 1thm s TYR 218 CO 0.00 -0.34 0.60 0.00 -1.11 0.00 0.00 175.55 174.70 1thm s ALA 219 N -2.74 -1.57 -0.16 3.71 0.00 -0.35 -4.83 121.76 115.82 1thm s ALA 219 Ca -0.04 0.60 -0.12 0.00 0.00 0.00 0.00 51.96 52.39 1thm s ALA 219 Cb -0.00 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 1thm s ALA 219 CO -0.05 -0.68 0.24 0.45 0.00 0.00 0.00 175.76 175.72 1thm s SER 220 N -2.46 6.38 0.11 0.00 0.15 -1.26 -1.22 113.70 115.41 1thm s SER 220 Ca -0.01 0.44 0.04 0.00 0.70 0.00 0.00 55.95 57.12 1thm s SER 220 Cb -0.01 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 62.11 1thm s SER 220 CO -0.09 0.14 -0.10 -0.76 1.20 0.00 0.00 173.24 173.64 1thm s LEU 221 N 0.32 2.44 0.02 3.45 1.43 -0.72 -4.89 118.68 120.73 1thm s LEU 221 Ca 0.14 -0.88 0.06 0.00 -1.03 0.00 0.00 54.13 52.43 1thm s LEU 221 Cb -0.12 -0.30 -0.02 0.00 0.03 0.00 0.00 46.19 45.78 1thm s LEU 221 CO 0.03 -0.30 -0.18 -0.44 0.23 0.00 0.00 176.35 175.69 1thm s SER 222 N -2.67 2.14 0.00 2.29 0.01 -1.26 -1.21 113.70 113.00 1thm s SER 222 Ca 0.09 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1thm s SER 222 Cb -0.01 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.03 1thm s SER 222 CO -0.00 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.42 1thm n GLY 223 N 2.21 2.71 0.30 3.44 0.00 0.17 -4.88 105.19 109.15 1thm n GLY 223 Ca -0.16 -1.12 0.19 0.00 0.00 0.00 0.00 46.02 44.92 1thm n GLY 223 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1thm h THR 224 N 1.00 0.15 0.00 2.61 1.35 -1.84 -0.53 112.91 115.65 1thm h THR 224 Ca 0.00 -0.25 -0.02 0.00 -0.55 0.00 0.00 66.41 65.59 1thm h THR 224 Cb 0.00 1.21 -0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1thm h THR 224 CO 0.00 0.02 -0.09 0.28 -0.25 0.00 0.00 175.52 175.48 1thm h SER 225 N 0.00 0.00 0.60 5.36 0.02 -1.89 -1.65 113.55 115.99 1thm h SER 225 Ca -0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 1thm h SER 225 Cb 0.21 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 1thm h SER 225 CO 0.00 0.09 -1.50 0.24 -1.14 0.00 0.00 176.83 174.52 1thm h MET 226 N 0.00 0.05 -0.38 3.45 2.86 -1.39 -3.35 114.93 116.16 1thm h MET 226 Ca -0.00 -0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.46 1thm h MET 226 Cb 0.18 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1thm h MET 226 CO 0.01 0.77 -0.10 0.00 1.06 0.00 0.00 176.91 178.65 1thm h ALA 227 N 0.87 0.53 -0.22 6.32 0.00 -1.19 -3.34 119.26 122.22 1thm h ALA 227 Ca -0.21 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.43 1thm h ALA 227 Cb 1.95 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.53 1thm h ALA 227 CO 0.11 0.40 -0.43 1.15 0.00 0.00 0.00 179.25 180.47 1thm h THR 228 N 0.55 0.12 0.00 0.00 2.02 -1.44 -2.00 112.91 112.16 1thm h THR 228 Ca 0.10 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 1thm h THR 228 Cb 0.62 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1thm h THR 228 CO 0.04 0.00 -0.01 1.55 0.37 0.00 0.00 175.52 177.47 1thm h PRO 229 N -0.44 0.00 -0.33 6.66 0.13 -1.73 -0.51 132.00 135.78 1thm h PRO 229 Ca 0.09 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.19 1thm h PRO 229 Cb 0.62 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1thm h PRO 229 CO -0.46 0.01 0.09 0.45 -0.23 0.00 0.00 178.00 177.86 1thm h HIS 230 N 0.00 0.54 -0.42 1.56 3.86 -1.49 0.46 115.15 119.66 1thm h HIS 230 Ca -0.00 -0.06 -0.10 0.00 -1.16 0.00 0.00 60.37 59.05 1thm h HIS 230 Cb 0.05 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1thm h HIS 230 CO 0.00 0.56 -0.13 0.28 0.86 0.00 0.00 177.93 179.49 1thm h VAL 231 N 0.37 1.28 -0.91 2.45 2.07 -1.10 -1.71 116.25 118.69 1thm h VAL 231 Ca 0.10 -1.25 0.05 0.00 0.82 0.00 0.00 66.70 66.42 1thm h VAL 231 Cb 0.28 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 1thm h VAL 231 CO -0.00 0.42 0.60 0.00 0.02 0.00 0.00 177.57 178.61 1thm h ALA 232 N 0.84 1.45 -0.59 1.67 0.00 -1.08 -0.42 119.26 121.13 1thm h ALA 232 Ca 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1thm h ALA 232 Cb 0.67 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1thm h ALA 232 CO 0.05 0.45 0.26 0.78 0.00 0.00 0.00 179.25 180.78 1thm h GLY 233 N 1.11 0.92 0.99 0.00 0.00 -0.48 -0.54 103.07 105.07 1thm h GLY 233 Ca 0.37 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1thm h GLY 233 CO -0.12 0.45 0.28 -2.08 0.00 0.00 0.00 176.54 175.07 1thm h VAL 234 N 0.80 1.20 -0.50 4.60 2.07 -0.86 -1.39 116.25 122.19 1thm h VAL 234 Ca 0.20 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1thm h VAL 234 Cb 0.15 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1thm h VAL 234 CO -0.02 0.23 0.33 0.00 0.02 0.00 0.00 177.57 178.13 1thm h ALA 235 N 1.12 1.65 -0.38 1.67 0.00 -0.61 -1.42 119.26 121.28 1thm h ALA 235 Ca 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1thm h ALA 235 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1thm h ALA 235 CO -0.03 0.33 0.08 0.78 0.00 0.00 0.00 179.25 180.41 1thm h GLY 236 N 0.67 0.66 0.70 0.00 0.00 -0.15 -0.04 103.07 104.93 1thm h GLY 236 Ca 0.18 -0.43 0.04 0.00 0.00 0.00 0.00 47.33 47.12 1thm h GLY 236 CO -0.04 0.40 0.12 1.41 0.00 0.00 0.00 176.54 178.43 1thm h LEU 237 N 0.47 0.13 -0.64 3.11 3.38 -0.58 -1.98 115.31 119.20 1thm h LEU 237 Ca 0.12 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1thm h LEU 237 Cb 0.33 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1thm h LEU 237 CO 0.00 0.11 0.30 -0.07 0.09 0.00 0.00 178.44 178.88 1thm h LEU 238 N 0.27 0.85 -1.40 1.67 3.38 -1.09 -2.53 115.31 116.45 1thm h LEU 238 Ca 0.16 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1thm h LEU 238 Cb 0.13 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1thm h LEU 238 CO -0.16 0.74 0.26 0.00 0.09 0.00 0.00 178.44 179.37 1thm h ALA 239 N 1.13 1.55 0.00 1.53 0.00 -0.80 -1.44 119.26 121.23 1thm h ALA 239 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1thm h ALA 239 Cb 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1thm h ALA 239 CO -0.03 0.38 0.00 -1.13 0.00 0.00 0.00 179.25 178.47 1thm n SER 240 N -4.41 0.27 -0.40 0.00 3.41 -0.76 -1.27 113.62 110.46 1thm n SER 240 Ca 0.04 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.36 1thm n SER 240 Cb 0.10 -0.63 0.43 0.00 -0.26 0.00 0.00 64.21 63.85 1thm n SER 240 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1thm n GLN 241 N -1.81 1.33 -0.62 4.33 6.02 -0.54 -4.87 117.38 121.21 1thm n GLN 241 Ca 0.02 -0.81 0.00 0.00 -0.01 0.00 0.00 57.00 56.21 1thm n GLN 241 Cb 0.17 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.94 1thm n GLN 241 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1thm n GLY 242 N 1.26 0.65 3.79 1.08 0.00 -0.40 -5.05 105.19 106.52 1thm n GLY 242 Ca 0.16 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1thm n GLY 242 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1thm s ARG 243 N -0.84 4.01 0.83 1.61 0.52 -1.23 -5.05 118.95 118.81 1thm s ARG 243 Ca 0.00 1.38 -0.12 0.00 -0.52 0.00 0.00 55.73 56.47 1thm s ARG 243 Cb 0.00 -2.28 0.09 0.00 0.52 0.00 0.00 34.95 33.27 1thm s ARG 243 CO 0.00 -0.25 1.11 -1.54 0.02 0.00 0.00 175.30 174.64 1thm s SER 244 N -1.85 4.21 0.22 0.23 1.04 -1.26 -4.74 113.70 111.54 1thm s SER 244 Ca 0.63 1.18 -0.09 0.00 0.48 0.00 0.00 55.95 58.15 1thm s SER 244 Cb -0.17 -1.86 0.23 0.00 0.10 0.00 0.00 66.02 64.32 1thm s SER 244 CO 0.22 -2.14 1.84 0.00 0.98 0.00 0.00 173.24 174.15 1thm h ALA 245 N -1.21 0.98 -0.48 5.32 0.00 -1.96 0.76 119.26 122.67 1thm h ALA 245 Ca -0.48 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 1thm h ALA 245 Cb 1.29 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1thm h ALA 245 CO 0.60 0.21 -0.07 0.66 0.00 0.00 0.00 179.25 180.65 1thm h SER 246 N 0.87 0.84 -0.39 0.00 4.64 -1.94 -1.83 113.55 115.74 1thm h SER 246 Ca 0.31 -0.25 -0.14 0.00 -0.47 0.00 0.00 61.79 61.24 1thm h SER 246 Cb 0.08 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1thm h SER 246 CO -0.14 0.95 -0.31 -1.13 -0.87 0.00 0.00 176.83 175.34 1thm h ASN 247 N 0.78 0.97 -0.44 4.97 -0.73 -1.77 -2.04 115.58 117.33 1thm h ASN 247 Ca 0.14 -0.41 -0.01 0.00 1.87 0.00 0.00 56.30 57.89 1thm h ASN 247 Cb 0.57 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.87 1thm h ASN 247 CO 0.04 1.19 0.25 0.40 -0.37 0.00 0.00 177.43 178.94 1thm h ILE 248 N 0.78 1.15 -0.45 2.57 2.04 -0.65 0.19 117.51 123.14 1thm h ILE 248 Ca 0.08 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1thm h ILE 248 Cb 0.89 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1thm h ILE 248 CO 0.08 0.16 0.28 -0.09 0.00 0.00 0.00 178.15 178.58 1thm h ARG 249 N 0.57 0.61 -0.86 2.37 2.43 -1.23 -1.93 114.38 116.33 1thm h ARG 249 Ca 0.15 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1thm h ARG 249 Cb 0.03 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 1thm h ARG 249 CO -0.03 0.43 0.47 0.00 -1.51 0.00 0.00 179.97 179.34 1thm h ALA 250 N 1.14 1.11 -0.61 2.80 0.00 -1.15 -1.29 119.26 121.26 1thm h ALA 250 Ca 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1thm h ALA 250 Cb -0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 1thm h ALA 250 CO -0.03 0.62 0.28 0.00 0.00 0.00 0.00 179.25 180.12 1thm h ALA 251 N 1.25 0.79 -0.03 0.00 0.00 -0.51 0.16 119.26 120.93 1thm h ALA 251 Ca 0.30 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1thm h ALA 251 Cb 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1thm h ALA 251 CO -0.05 0.37 0.01 0.82 0.00 0.00 0.00 179.25 180.40 1thm h ILE 252 N 0.84 1.17 -0.13 0.00 2.04 -1.05 -3.09 117.51 117.29 1thm h ILE 252 Ca 0.21 -0.51 -0.21 0.00 1.00 0.00 0.00 64.86 65.35 1thm h ILE 252 Cb 0.14 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1thm h ILE 252 CO -0.02 0.14 -0.75 -0.33 0.00 0.00 0.00 178.15 177.18 1thm h GLU 253 N -0.15 0.65 0.00 2.37 5.08 -1.08 -3.22 114.58 118.24 1thm h GLU 253 Ca 0.01 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1thm h GLU 253 Cb 0.21 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1thm h GLU 253 CO -0.00 1.15 -0.02 0.09 -1.00 0.00 0.00 179.01 179.22 1thm n ASN 254 N -3.90 0.08 -0.34 1.42 3.02 0.56 -3.56 115.26 112.54 1thm n ASN 254 Ca -0.06 0.47 0.03 0.00 -0.03 0.00 0.00 54.58 55.00 1thm n ASN 254 Cb 0.73 -0.49 0.06 0.00 -0.61 0.00 0.00 39.78 39.47 1thm n ASN 254 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1thm n THR 255 N -1.56 0.49 -1.90 3.41 -2.24 -1.17 -5.05 114.28 106.26 1thm n THR 255 Ca 0.07 -0.75 -0.39 0.00 -2.27 0.00 0.00 64.05 60.72 1thm n THR 255 Cb 0.35 0.83 0.02 0.00 -2.10 0.00 0.00 70.33 69.42 1thm n THR 255 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1thm s ALA 256 N -0.79 3.00 0.18 6.98 0.00 -1.22 -4.54 121.76 125.38 1thm s ALA 256 Ca 0.11 1.29 -0.30 0.00 0.00 0.00 0.00 51.96 53.06 1thm s ALA 256 Cb 0.07 -3.53 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 1thm s ALA 256 CO 0.09 -1.14 1.17 -0.51 0.00 0.00 0.00 175.76 175.38 1thm s ASP 257 N -0.88 7.13 -1.37 0.00 1.01 0.32 -4.72 116.67 118.16 1thm s ASP 257 Ca 0.66 2.19 -0.11 0.00 0.71 0.00 0.00 52.55 56.00 1thm s ASP 257 Cb -0.39 -2.61 0.10 0.00 1.01 0.00 0.00 42.92 41.04 1thm s ASP 257 CO 0.48 -0.33 2.08 0.29 0.21 0.00 0.00 175.17 177.89 1thm n LYS 258 N 2.47 3.34 -1.56 8.23 4.76 -1.26 -0.91 118.16 133.24 1thm n LYS 258 Ca 0.04 -3.09 -0.31 0.00 -2.87 0.00 0.00 58.31 52.07 1thm n LYS 258 Cb 0.45 -3.06 0.05 0.00 -1.84 0.00 0.00 35.03 30.63 1thm n LYS 258 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1thm s ILE 259 N 1.54 3.88 0.30 -0.18 -4.36 -1.26 -4.92 121.20 116.20 1thm s ILE 259 Ca 0.44 0.64 -0.30 0.00 -0.26 0.00 0.00 60.65 61.17 1thm s ILE 259 Cb 0.12 -3.31 -0.12 0.00 1.25 0.00 0.00 42.46 40.40 1thm s ILE 259 CO -0.04 -0.77 1.40 -0.24 0.24 0.00 0.00 174.94 175.53 1thm n SER 260 N -3.09 3.03 0.00 4.36 2.88 -1.26 -1.55 113.62 117.99 1thm n SER 260 Ca 0.08 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1thm n SER 260 Cb 0.53 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1thm n SER 260 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1thm n GLY 261 N 1.49 2.77 3.74 0.46 0.00 -1.26 -4.89 105.19 107.50 1thm n GLY 261 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1thm n GLY 261 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1thm s THR 262 N -2.50 2.33 0.00 2.61 2.01 -0.59 -0.13 115.64 119.36 1thm s THR 262 Ca 0.00 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1thm s THR 262 Cb 0.00 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.34 1thm s THR 262 CO 0.00 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 1thm n GLY 263 N 2.53 2.73 1.07 4.40 0.00 0.70 -4.81 105.19 111.81 1thm n GLY 263 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1thm n GLY 263 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1thm n THR 264 N -2.00 0.18 0.09 2.61 -1.04 -0.51 -4.84 114.28 108.77 1thm n THR 264 Ca 0.00 0.06 0.02 0.00 -2.04 0.00 0.00 64.05 62.09 1thm n THR 264 Cb 0.00 -1.45 -0.02 0.00 -1.82 0.00 0.00 70.33 67.03 1thm n THR 264 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1thm h TYR 265 N 0.00 0.00 -2.55 -1.42 0.05 -0.78 -3.29 116.97 108.98 1thm h TYR 265 Ca 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1thm h TYR 265 Cb 0.79 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 38.38 1thm h TYR 265 CO 0.00 0.48 0.22 1.67 -1.05 0.00 0.00 178.16 179.48 1thm s TRP 266 N -2.98 -0.58 0.02 4.88 -2.14 -1.23 -1.00 118.94 115.92 1thm s TRP 266 Ca 0.00 0.65 -0.18 0.00 2.66 0.00 0.00 56.10 59.23 1thm s TRP 266 Cb 0.08 0.50 -0.24 0.00 -3.10 0.00 0.00 33.47 30.71 1thm s TRP 266 CO 0.78 -0.73 1.11 0.00 -2.66 0.00 0.00 176.95 175.44 1thm h ALA 267 N 2.41 0.07 0.00 2.67 0.00 -0.42 0.20 119.26 124.19 1thm h ALA 267 Ca -0.30 -0.61 -0.32 0.00 0.00 0.00 0.00 54.91 53.67 1thm h ALA 267 Cb 1.24 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 1thm h ALA 267 CO 0.38 0.44 -2.22 1.63 0.00 0.00 0.00 179.25 179.48 1thm n LYS 268 N -4.11 0.70 0.00 0.00 4.76 -0.23 -4.09 118.16 115.18 1thm n LYS 268 Ca -0.11 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1thm n LYS 268 Cb 0.74 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.50 1thm n LYS 268 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1thm n GLY 269 N 2.35 0.97 3.67 0.72 0.00 -1.26 -4.69 105.19 106.96 1thm n GLY 269 Ca -0.36 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.38 1thm n GLY 269 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1thm s ARG 270 N -1.93 4.12 0.45 1.61 3.00 -0.08 -1.17 118.95 124.94 1thm s ARG 270 Ca 0.00 -0.14 -0.23 0.00 -1.00 0.00 0.00 55.73 54.36 1thm s ARG 270 Cb 0.00 -3.52 -0.10 0.00 0.00 0.00 0.00 34.95 31.33 1thm s ARG 270 CO 0.00 0.07 0.98 0.28 0.00 0.00 0.00 175.30 176.64 1thm n VAL 271 N 4.19 2.57 -3.73 7.11 0.31 -0.42 -0.52 118.33 127.84 1thm n VAL 271 Ca -0.13 -0.50 -0.28 0.00 -0.01 0.00 0.00 64.34 63.41 1thm n VAL 271 Cb 0.52 -1.14 -0.16 0.00 -0.91 0.00 0.00 33.84 32.15 1thm n VAL 271 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1thm s ASN 272 N -0.81 3.27 0.21 4.52 3.84 -1.26 -4.63 114.94 120.08 1thm s ASN 272 Ca 0.65 -1.07 -0.08 0.00 0.21 0.00 0.00 52.86 52.57 1thm s ASN 272 Cb -0.53 -0.66 0.15 0.00 -0.55 0.00 0.00 41.25 39.65 1thm s ASN 272 CO 0.56 -0.34 1.75 0.00 -2.79 0.00 0.00 177.10 176.27 1thm h ALA 273 N 8.21 1.00 -0.30 1.71 0.00 -0.82 -1.61 119.26 127.45 1thm h ALA 273 Ca -0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1thm h ALA 273 Cb 1.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1thm h ALA 273 CO 0.38 0.67 0.06 -0.92 0.00 0.00 0.00 179.25 179.43 1thm h TYR 274 N 1.11 0.53 -0.53 0.00 3.20 -1.66 -1.77 116.97 117.84 1thm h TYR 274 Ca 0.24 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 1thm h TYR 274 Cb 0.31 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1thm h TYR 274 CO 0.03 0.58 -0.03 0.87 -1.64 0.00 0.00 178.16 177.96 1thm h LYS 275 N 0.32 0.93 -0.43 1.82 1.57 -1.89 -3.13 116.57 115.77 1thm h LYS 275 Ca 0.09 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1thm h LYS 275 Cb 0.33 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1thm h LYS 275 CO 0.00 0.94 0.26 0.00 -0.57 0.00 0.00 179.45 180.09 1thm h ALA 276 N 1.11 0.55 0.00 3.86 0.00 -1.08 -2.15 119.26 121.55 1thm h ALA 276 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1thm h ALA 276 Cb 0.54 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1thm h ALA 276 CO 0.03 0.03 0.00 1.33 0.00 0.00 0.00 179.25 180.64 1thm n VAL 277 N -4.75 0.88 1.05 0.00 0.24 -0.68 -1.89 118.33 113.17 1thm n VAL 277 Ca 0.01 0.23 0.11 0.00 -2.04 0.00 0.00 64.34 62.65 1thm n VAL 277 Cb 0.05 -1.09 0.13 0.00 -1.47 0.00 0.00 33.84 31.46 1thm n VAL 277 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1thm n GLN 278 N -1.98 0.40 0.00 7.34 6.02 -0.84 -5.04 117.38 123.28 1thm n GLN 278 Ca 0.03 -0.28 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 1thm n GLN 278 Cb 0.21 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.98 1thm n GLN 278 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03