#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1juh s ILE 6 N 0.00 4.78 0.12 1.96 1.01 -1.26 -1.21 121.20 126.60 1juh s ILE 6 Ca 0.00 1.62 0.05 0.00 0.00 0.00 0.00 60.65 62.32 1juh s ILE 6 Cb 0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1juh s ILE 6 CO 0.00 0.35 -0.13 0.68 0.00 0.00 0.00 174.94 175.84 1juh s VAL 7 N 0.07 1.23 -0.17 2.92 -7.23 -0.65 -4.93 120.40 111.64 1juh s VAL 7 Ca 0.39 -1.76 0.21 0.00 -1.81 0.00 0.00 61.98 59.01 1juh s VAL 7 Cb -0.20 -1.55 -0.11 0.00 0.56 0.00 0.00 36.38 35.08 1juh s VAL 7 CO 0.22 -0.50 0.84 -0.62 -0.31 0.00 0.00 175.10 174.74 1juh n GLU 8 N 0.41 0.62 -4.04 4.82 -0.58 -1.26 -4.33 120.64 116.28 1juh n GLU 8 Ca -0.15 0.07 -0.12 0.00 -0.42 0.00 0.00 57.16 56.55 1juh n GLU 8 Cb 0.58 -1.75 -0.11 0.00 -0.57 0.00 0.00 31.44 29.58 1juh n GLU 8 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1juh s ASP 9 N -5.28 0.64 0.34 1.62 1.11 -1.26 -1.47 116.67 112.37 1juh s ASP 9 Ca -0.03 -0.50 -0.29 0.00 0.18 0.00 0.00 52.55 51.91 1juh s ASP 9 Cb 0.10 0.05 -0.12 0.00 1.07 0.00 0.00 42.92 44.02 1juh s ASP 9 CO 0.82 -0.22 1.46 0.00 1.18 0.00 0.00 175.17 178.41 1juh n ALA 10 N 1.60 2.06 -0.78 5.23 0.00 -1.26 -4.93 120.51 122.43 1juh n ALA 10 Ca -0.23 0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.25 1juh n ALA 10 Cb 0.55 -2.38 0.15 0.00 0.00 0.00 0.00 19.45 17.77 1juh n ALA 10 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1juh n PRO 11 N 0.98 -0.32 -0.45 0.00 -0.02 -1.26 -4.89 135.00 129.05 1juh n PRO 11 Ca 0.05 -0.03 0.05 0.00 -2.02 0.00 0.00 63.50 61.54 1juh n PRO 11 Cb 0.37 -2.21 0.22 0.00 -0.02 0.00 0.00 33.50 31.87 1juh n PRO 11 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1juh n ASP 12 N -3.12 3.39 -3.80 2.55 5.68 -1.26 -3.58 116.55 116.41 1juh n ASP 12 Ca 0.10 -2.41 -0.08 0.00 -0.50 0.00 0.00 54.79 51.91 1juh n ASP 12 Cb 0.52 -0.53 -0.02 0.00 -1.14 0.00 0.00 41.12 39.95 1juh n ASP 12 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 1juh s HIS 13 N -1.88 -0.23 -0.01 2.11 -3.43 -1.23 -4.73 115.29 105.89 1juh s HIS 13 Ca 0.31 -0.19 -0.30 0.00 -0.80 0.00 0.00 55.06 54.08 1juh s HIS 13 Cb 0.22 0.69 -0.04 0.00 -1.43 0.00 0.00 32.58 32.02 1juh s HIS 13 CO 0.12 -1.17 1.14 0.08 -2.00 0.00 0.00 174.74 172.91 1juh s VAL 14 N -3.87 4.34 -0.10 -5.38 1.01 -1.20 -4.41 120.40 110.79 1juh s VAL 14 Ca 0.10 1.67 -0.32 0.00 0.00 0.00 0.00 61.98 63.43 1juh s VAL 14 Cb -0.05 -4.07 0.12 0.00 0.00 0.00 0.00 36.38 32.38 1juh s VAL 14 CO 0.04 0.06 1.04 0.00 0.00 0.00 0.00 175.10 176.24 1juh s ARG 15 N 1.64 0.57 0.39 2.72 1.70 -1.26 -5.08 118.95 119.63 1juh s ARG 15 Ca 0.55 -0.19 -0.26 0.00 -0.47 0.00 0.00 55.73 55.36 1juh s ARG 15 Cb -0.25 0.26 -0.09 0.00 -0.57 0.00 0.00 34.95 34.31 1juh s ARG 15 CO 0.25 -0.25 1.27 -2.14 -1.08 0.00 0.00 175.30 173.36 1juh s PRO 16 N -2.67 4.06 0.11 3.89 0.02 -1.26 -4.65 135.00 134.50 1juh s PRO 16 Ca 0.07 2.10 -0.25 0.00 0.02 0.00 0.00 61.00 62.93 1juh s PRO 16 Cb -0.01 -2.80 0.07 0.00 0.02 0.00 0.00 34.50 31.78 1juh s PRO 16 CO -0.07 -0.40 0.83 1.52 -0.33 0.00 0.00 177.00 178.56 1juh s TYR 17 N -1.26 -0.30 -0.03 6.54 -0.85 -1.08 -4.90 117.35 115.47 1juh s TYR 17 Ca 0.55 0.05 0.02 0.00 -0.52 0.00 0.00 57.07 57.17 1juh s TYR 17 Cb -0.37 0.60 0.01 0.00 0.38 0.00 0.00 41.96 42.58 1juh s TYR 17 CO 0.48 -0.78 -0.06 0.08 -1.52 0.00 0.00 175.55 173.74 1juh s VAL 18 N -3.40 0.61 -0.11 -3.49 1.01 -0.35 -0.84 120.40 113.83 1juh s VAL 18 Ca 0.07 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1juh s VAL 18 Cb -0.02 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.80 1juh s VAL 18 CO -0.04 0.21 -0.16 -0.51 0.00 0.00 0.00 175.10 174.60 1juh s ILE 19 N 0.46 1.58 0.59 2.22 2.07 -0.19 -1.64 121.20 126.30 1juh s ILE 19 Ca -0.06 -0.69 -0.17 0.00 -1.41 0.00 0.00 60.65 58.31 1juh s ILE 19 Cb -0.10 -1.44 -0.03 0.00 0.13 0.00 0.00 42.46 41.01 1juh s ILE 19 CO 0.00 0.46 1.11 -0.13 -1.91 0.00 0.00 174.94 174.47 1juh s ARG 20 N 0.96 3.16 0.23 3.50 1.81 -1.26 -1.37 118.95 125.98 1juh s ARG 20 Ca -0.07 1.46 -0.31 0.00 -1.72 0.00 0.00 55.73 55.09 1juh s ARG 20 Cb -0.15 -1.99 -0.14 0.00 -0.45 0.00 0.00 34.95 32.22 1juh s ARG 20 CO -0.02 -0.97 1.39 1.58 -0.68 0.00 0.00 175.30 176.60 1juh n HIS 21 N -1.80 2.09 -1.27 -0.53 -0.00 -1.25 -1.75 115.22 110.71 1juh n HIS 21 Ca 0.11 0.45 -0.09 0.00 0.46 0.00 0.00 57.72 58.64 1juh n HIS 21 Cb 0.52 -2.45 -0.04 0.00 -0.12 0.00 0.00 29.99 27.90 1juh n HIS 21 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1juh n TYR 22 N 1.93 0.00 -0.93 1.57 4.01 -1.26 -4.98 117.16 117.49 1juh n TYR 22 Ca 0.12 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.56 1juh n TYR 22 Cb 0.31 -1.99 0.16 0.00 -0.31 0.00 0.00 39.34 37.50 1juh n TYR 22 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1juh s SER 23 N -2.67 3.12 0.19 7.72 0.01 -0.72 -4.82 113.70 116.53 1juh s SER 23 Ca 0.00 1.82 -0.16 0.00 1.31 0.00 0.00 55.95 58.92 1juh s SER 23 Cb 0.00 -2.41 0.16 0.00 0.21 0.00 0.00 66.02 63.98 1juh s SER 23 CO 0.00 -2.91 1.64 -0.74 0.41 0.00 0.00 173.24 171.64 1juh h HIS 24 N -1.74 -0.31 -6.72 2.43 2.76 -1.87 -3.46 115.15 106.25 1juh h HIS 24 Ca -0.48 0.05 -0.54 0.00 -2.20 0.00 0.00 60.37 57.20 1juh h HIS 24 Cb 1.27 0.21 -0.10 0.00 1.55 0.00 0.00 27.41 30.34 1juh h HIS 24 CO 0.46 -0.23 -0.92 0.00 -1.30 0.00 0.00 177.93 175.94 1juh n ALA 25 N -2.89 -2.05 -3.66 5.26 0.00 -0.54 -0.94 120.51 115.68 1juh n ALA 25 Ca 0.05 -0.34 -0.27 0.00 0.00 0.00 0.00 53.44 52.88 1juh n ALA 25 Cb 0.28 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 1juh n ALA 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1juh n ARG 26 N -4.48 -3.35 -1.57 0.00 1.74 -1.26 -0.93 116.66 106.80 1juh n ARG 26 Ca -0.31 0.42 -0.48 0.00 -0.77 0.00 0.00 57.85 56.72 1juh n ARG 26 Cb 0.68 -5.14 -0.03 0.00 -1.02 0.00 0.00 32.46 26.95 1juh n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1juh n ALA 27 N -3.83 -0.74 -2.43 7.54 0.00 -0.12 -4.77 120.51 116.16 1juh n ALA 27 Ca 0.02 0.44 -0.10 0.00 0.00 0.00 0.00 53.44 53.80 1juh n ALA 27 Cb 0.52 -2.00 -0.10 0.00 0.00 0.00 0.00 19.45 17.86 1juh n ALA 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1juh s VAL 28 N -0.47 0.50 0.07 0.00 -7.23 -0.87 -1.29 120.40 111.12 1juh s VAL 28 Ca 0.69 -1.56 0.09 0.00 -1.81 0.00 0.00 61.98 59.38 1juh s VAL 28 Cb -0.82 -1.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 1juh s VAL 28 CO 0.55 -0.72 -0.23 0.42 -0.31 0.00 0.00 175.10 174.80 1juh s THR 29 N -2.82 2.44 -0.27 5.32 -4.23 -0.37 -0.66 115.64 115.05 1juh s THR 29 Ca 0.02 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1juh s THR 29 Cb -0.00 -2.02 0.08 0.00 1.34 0.00 0.00 72.50 71.90 1juh s THR 29 CO -0.04 0.28 0.03 -0.69 -0.54 0.00 0.00 174.62 173.66 1juh s VAL 30 N -0.93 1.23 0.00 2.29 1.01 -0.07 -1.14 120.40 122.79 1juh s VAL 30 Ca 0.14 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1juh s VAL 30 Cb -0.10 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.53 1juh s VAL 30 CO 0.05 -0.40 0.00 0.47 0.00 0.00 0.00 175.10 175.22 1juh n ASP 31 N 4.74 0.00 -0.04 3.32 8.00 -1.26 -1.11 116.55 130.20 1juh n ASP 31 Ca -0.06 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.57 1juh n ASP 31 Cb 0.44 0.00 0.40 0.00 -0.02 0.00 0.00 41.12 41.94 1juh n ASP 31 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1juh n THR 32 N 0.00 0.00 -3.08 -3.53 -2.24 -1.26 -4.90 114.28 99.27 1juh n THR 32 Ca 0.00 -0.02 -0.39 0.00 -2.27 0.00 0.00 64.05 61.37 1juh n THR 32 Cb 0.00 0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.19 1juh n THR 32 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1juh s GLN 33 N -2.89 4.44 -0.17 -0.78 -0.21 -0.27 -4.53 119.66 115.25 1juh s GLN 33 Ca 0.15 1.00 0.01 0.00 0.02 0.00 0.00 55.36 56.54 1juh s GLN 33 Cb 0.18 -3.28 0.02 0.00 1.00 0.00 0.00 33.01 30.93 1juh s GLN 33 CO 0.61 0.52 -0.20 -1.17 -2.12 0.00 0.00 175.29 172.94 1juh s LEU 34 N -0.86 2.17 -0.12 2.90 0.20 -0.51 -0.89 118.68 121.57 1juh s LEU 34 Ca 0.34 -0.62 -0.04 0.00 0.69 0.00 0.00 54.13 54.50 1juh s LEU 34 Cb -0.21 -1.49 -0.04 0.00 -0.43 0.00 0.00 46.19 44.03 1juh s LEU 34 CO 0.23 0.02 0.03 -0.31 -0.29 0.00 0.00 176.35 176.03 1juh s TYR 35 N 1.18 3.23 -0.03 5.38 1.51 0.16 -1.24 117.35 127.55 1juh s TYR 35 Ca 0.02 0.17 0.05 0.00 -1.01 0.00 0.00 57.07 56.30 1juh s TYR 35 Cb -0.14 -1.89 -0.01 0.00 -0.11 0.00 0.00 41.96 39.81 1juh s TYR 35 CO -0.10 0.39 -0.19 1.03 -1.11 0.00 0.00 175.55 175.57 1juh s ARG 36 N -0.51 1.76 -0.66 -0.62 0.52 0.31 -2.04 118.95 117.71 1juh s ARG 36 Ca 0.10 -0.69 -0.04 0.00 -0.52 0.00 0.00 55.73 54.57 1juh s ARG 36 Cb -0.12 -1.61 0.17 0.00 0.52 0.00 0.00 34.95 33.91 1juh s ARG 36 CO 0.02 0.36 0.49 -0.06 0.02 0.00 0.00 175.30 176.13 1juh s PHE 37 N -0.26 3.45 0.21 -0.53 0.08 -0.10 -0.91 117.98 119.92 1juh s PHE 37 Ca 0.03 -2.64 -0.01 0.00 0.12 0.00 0.00 56.93 54.43 1juh s PHE 37 Cb -0.10 -3.28 0.19 0.00 -0.57 0.00 0.00 43.02 39.26 1juh s PHE 37 CO 0.01 -0.85 1.55 1.88 -0.10 0.00 0.00 175.22 177.70 1juh h TYR 38 N 7.07 0.60 -3.41 0.36 0.05 -1.53 -3.38 116.97 116.73 1juh h TYR 38 Ca 0.01 -0.20 -0.44 0.00 0.05 0.00 0.00 58.73 58.15 1juh h TYR 38 Cb 0.96 -0.12 -0.35 0.00 1.01 0.00 0.00 36.73 38.24 1juh h TYR 38 CO 0.76 0.89 -0.78 0.08 -1.05 0.00 0.00 178.16 178.06 1juh s VAL 39 N -4.04 0.64 0.52 -2.88 1.01 -0.56 -4.60 120.40 110.50 1juh s VAL 39 Ca -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1juh s VAL 39 Cb 0.12 -0.67 -0.00 0.00 0.00 0.00 0.00 36.38 35.83 1juh s VAL 39 CO 0.82 0.26 0.00 0.35 0.00 0.00 0.00 175.10 176.54 1juh n THR 40 N 4.20 0.00 0.10 3.92 -2.24 -1.26 -1.08 114.28 117.92 1juh n THR 40 Ca -0.22 -2.49 -0.13 0.00 -2.27 0.00 0.00 64.05 58.95 1juh n THR 40 Cb 0.51 0.51 -0.08 0.00 -2.10 0.00 0.00 70.33 69.16 1juh n THR 40 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1juh h GLY 41 N 1.27 -0.23 1.45 3.38 0.00 -1.86 -1.55 103.07 105.53 1juh h GLY 41 Ca -0.44 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1juh h GLY 41 CO 0.72 -0.08 0.32 -2.55 0.00 0.00 0.00 176.54 174.95 1juh h PRO 42 N -0.42 0.73 0.00 4.80 0.11 -1.89 0.33 132.00 135.66 1juh h PRO 42 Ca -0.02 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1juh h PRO 42 Cb 0.33 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.28 1juh h PRO 42 CO 0.04 0.52 0.00 0.66 -0.21 0.00 0.00 178.00 179.01 1juh h SER 43 N 0.75 0.00 -0.13 -2.05 4.64 -1.58 -3.17 113.55 112.00 1juh h SER 43 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1juh h SER 43 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1juh h SER 43 CO -0.04 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.38 1juh n SER 44 N -2.69 2.26 -1.87 4.97 3.41 -0.59 -4.22 113.62 114.88 1juh n SER 44 Ca 0.04 -1.89 -0.16 0.00 -0.26 0.00 0.00 58.87 56.60 1juh n SER 44 Cb 0.45 -0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1juh n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1juh n GLY 45 N -0.03 -0.27 2.45 5.00 0.00 -0.20 -2.39 105.19 109.75 1juh n GLY 45 Ca 0.05 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 1juh n GLY 45 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1juh n TYR 46 N -4.04 0.00 -0.07 1.61 4.01 1.00 -4.91 117.16 114.75 1juh n TYR 46 Ca -0.17 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.45 1juh n TYR 46 Cb 0.63 -2.08 -0.06 0.00 -0.31 0.00 0.00 39.34 37.52 1juh n TYR 46 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1juh h ALA 47 N 0.00 0.27 -2.37 -0.72 0.00 -1.73 0.18 119.26 114.89 1juh h ALA 47 Ca -0.20 -0.28 0.13 0.00 0.00 0.00 0.00 54.91 54.56 1juh h ALA 47 Cb 0.80 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.41 1juh h ALA 47 CO 0.29 0.09 0.47 -0.59 0.00 0.00 0.00 179.25 179.50 1juh s PHE 48 N -4.62 -0.26 -0.11 0.00 -0.12 -1.26 -3.06 117.98 108.54 1juh s PHE 48 Ca -0.14 0.05 0.02 0.00 -0.05 0.00 0.00 56.93 56.80 1juh s PHE 48 Cb 0.06 0.59 -0.01 0.00 -0.63 0.00 0.00 43.02 43.02 1juh s PHE 48 CO 0.75 -0.70 -0.16 0.99 -0.05 0.00 0.00 175.22 176.05 1juh s THR 49 N -3.25 2.82 -0.21 -4.49 2.01 -0.30 -4.30 115.64 107.93 1juh s THR 49 Ca 0.08 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.33 1juh s THR 49 Cb -0.01 -2.15 0.05 0.00 0.01 0.00 0.00 72.50 70.40 1juh s THR 49 CO -0.04 0.55 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.13 1juh s LEU 50 N 0.11 2.31 0.19 4.42 0.20 -0.24 -1.23 118.68 124.44 1juh s LEU 50 Ca -0.08 -0.97 0.08 0.00 0.69 0.00 0.00 54.13 53.85 1juh s LEU 50 Cb -0.15 -1.17 -0.04 0.00 -0.43 0.00 0.00 46.19 44.39 1juh s LEU 50 CO 0.05 -0.18 -0.15 0.00 -0.29 0.00 0.00 176.35 175.78 1juh s MET 51 N 1.42 1.28 -0.05 1.98 0.23 -0.30 -1.46 119.30 122.41 1juh s MET 51 Ca -0.03 -1.52 0.05 0.00 -1.03 0.00 0.00 55.69 53.17 1juh s MET 51 Cb -0.17 -1.12 -0.01 0.00 -1.53 0.00 0.00 34.83 32.00 1juh s MET 51 CO -0.07 0.20 -0.20 0.20 -2.03 0.00 0.00 175.02 173.11 1juh s GLY 52 N -3.10 1.05 -0.14 3.16 0.00 -0.09 -0.45 107.32 107.75 1juh s GLY 52 Ca 0.20 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 44.12 1juh s GLY 52 CO 0.06 -0.47 -0.20 -1.59 0.00 0.00 0.00 173.10 170.90 1juh s THR 53 N -0.06 1.93 -0.07 0.90 2.01 0.76 -0.53 115.64 120.58 1juh s THR 53 Ca -0.03 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.11 1juh s THR 53 Cb -0.12 -1.72 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 1juh s THR 53 CO 0.02 0.52 -0.16 0.20 -0.69 0.00 0.00 174.62 174.52 1juh s ASN 54 N 0.90 3.86 0.02 3.53 -0.87 -0.37 -0.68 114.94 121.33 1juh s ASN 54 Ca -0.06 -0.28 -0.28 0.00 -1.57 0.00 0.00 52.86 50.68 1juh s ASN 54 Cb -0.15 -1.01 0.09 0.00 -0.02 0.00 0.00 41.25 40.16 1juh s ASN 54 CO -0.03 0.29 0.76 0.00 -2.57 0.00 0.00 177.10 175.55 1juh s ALA 55 N -0.40 -1.75 0.78 0.60 0.00 -0.78 -1.42 121.76 118.79 1juh s ALA 55 Ca 0.04 0.99 -0.06 0.00 0.00 0.00 0.00 51.96 52.93 1juh s ALA 55 Cb -0.12 0.31 0.13 0.00 0.00 0.00 0.00 23.12 23.44 1juh s ALA 55 CO 0.02 -0.58 1.08 -1.25 0.00 0.00 0.00 175.76 175.03 1juh s PRO 56 N -2.58 1.55 0.41 0.00 0.04 -1.26 -2.95 135.00 130.21 1juh s PRO 56 Ca -0.01 -0.70 -0.26 0.00 0.04 0.00 0.00 61.00 60.07 1juh s PRO 56 Cb -0.01 -2.17 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 1juh s PRO 56 CO -0.04 -1.63 1.34 1.58 0.04 0.00 0.00 177.00 178.29 1juh n HIS 57 N -3.09 2.40 -4.19 0.56 -0.00 -1.22 -4.74 115.22 104.95 1juh n HIS 57 Ca 0.13 0.49 -0.16 0.00 -0.00 0.00 0.00 57.72 58.18 1juh n HIS 57 Cb 0.60 -2.42 -0.14 0.00 -0.00 0.00 0.00 29.99 28.03 1juh n HIS 57 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1juh s SER 58 N -0.42 0.85 0.00 0.26 0.15 -0.56 -5.00 113.70 108.99 1juh s SER 58 Ca 0.59 -0.26 0.28 0.00 0.70 0.00 0.00 55.95 57.25 1juh s SER 58 Cb -0.50 -0.05 1.01 0.00 -1.71 0.00 0.00 66.02 64.76 1juh s SER 58 CO 0.60 -0.00 1.72 0.47 1.20 0.00 0.00 173.24 177.23 1juh n ASP 59 N 2.44 1.40 -4.55 5.45 8.00 -1.26 -4.63 116.55 123.40 1juh n ASP 59 Ca -0.16 -1.38 -0.24 0.00 0.71 0.00 0.00 54.79 53.72 1juh n ASP 59 Cb 0.57 0.02 -0.09 0.00 -0.02 0.00 0.00 41.12 41.60 1juh n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1juh s ALA 60 N -2.09 2.94 0.61 2.24 0.00 -1.26 -5.11 121.76 119.09 1juh s ALA 60 Ca 0.36 -1.82 -0.19 0.00 0.00 0.00 0.00 51.96 50.30 1juh s ALA 60 Cb 0.21 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 1juh s ALA 60 CO 0.37 0.25 1.30 -0.51 0.00 0.00 0.00 175.76 177.17 1juh s LEU 61 N -3.59 3.67 0.16 0.00 1.43 -1.26 -4.59 118.68 114.50 1juh s LEU 61 Ca 0.31 2.64 0.26 0.00 -1.03 0.00 0.00 54.13 56.31 1juh s LEU 61 Cb -0.05 -4.51 0.68 0.00 0.03 0.00 0.00 46.19 42.34 1juh s LEU 61 CO 0.17 -1.83 1.63 0.61 0.23 0.00 0.00 176.35 177.16 1juh n GLY 62 N 0.81 -1.58 3.52 -3.19 0.00 0.59 -4.88 105.19 100.44 1juh n GLY 62 Ca 0.14 -0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 1juh n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1juh s VAL 63 N -3.11 0.00 0.45 1.61 0.11 -1.26 -5.00 120.40 113.21 1juh s VAL 63 Ca 0.09 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.92 1juh s VAL 63 Cb 0.13 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.91 1juh s VAL 63 CO 0.64 0.00 1.15 -0.76 -3.33 0.00 0.00 175.10 172.79 1juh s LEU 64 N -1.30 4.02 0.30 2.54 1.43 -1.26 -4.58 118.68 119.84 1juh s LEU 64 Ca -0.10 2.26 -0.29 0.00 -1.03 0.00 0.00 54.13 54.97 1juh s LEU 64 Cb -0.00 -4.25 -0.13 0.00 0.03 0.00 0.00 46.19 41.85 1juh s LEU 64 CO 0.08 -0.87 1.33 -2.65 0.23 0.00 0.00 176.35 174.47 1juh n PRO 65 N -0.46 2.07 -3.83 1.29 -0.02 -1.26 -4.83 135.00 127.96 1juh n PRO 65 Ca 0.07 0.73 -0.07 0.00 -2.02 0.00 0.00 63.50 62.21 1juh n PRO 65 Cb 0.48 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1juh n PRO 65 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1juh s HIS 66 N -0.67 -0.03 0.11 6.00 -3.43 -0.85 -1.36 115.29 115.06 1juh s HIS 66 Ca 0.61 -0.49 0.05 0.00 -0.80 0.00 0.00 55.06 54.43 1juh s HIS 66 Cb -0.60 0.75 -0.04 0.00 -1.43 0.00 0.00 32.58 31.26 1juh s HIS 66 CO 0.57 -1.28 -0.13 0.42 -2.00 0.00 0.00 174.74 172.32 1juh s ILE 67 N -3.01 1.22 -0.15 -5.38 1.01 -0.16 -1.11 121.20 113.61 1juh s ILE 67 Ca 0.14 -1.63 0.02 0.00 0.00 0.00 0.00 60.65 59.18 1juh s ILE 67 Cb -0.05 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 41.02 1juh s ILE 67 CO 0.08 -0.41 -0.21 -1.00 0.00 0.00 0.00 174.94 173.40 1juh s HIS 68 N -2.04 2.69 -0.28 3.97 3.76 -1.26 -0.98 115.29 121.15 1juh s HIS 68 Ca 0.06 -1.44 0.21 0.00 -0.15 0.00 0.00 55.06 53.74 1juh s HIS 68 Cb -0.05 -1.84 0.11 0.00 1.11 0.00 0.00 32.58 31.90 1juh s HIS 68 CO 0.02 -0.68 1.27 1.96 -0.85 0.00 0.00 174.74 176.47 1juh h GLN 69 N 7.53 0.00 0.00 1.40 4.20 -1.95 0.49 115.11 126.77 1juh h GLN 69 Ca -0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.34 1juh h GLN 69 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1juh h GLN 69 CO 0.58 0.12 0.00 1.63 -0.67 0.00 0.00 178.83 180.49 1juh n LYS 70 N -2.94 1.68 -4.56 1.46 5.02 -1.26 -4.64 118.16 112.92 1juh n LYS 70 Ca 0.00 -1.09 -0.22 0.00 -2.02 0.00 0.00 58.31 54.98 1juh n LYS 70 Cb 0.61 -0.90 -0.15 0.00 -0.02 0.00 0.00 35.03 34.58 1juh n LYS 70 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1juh s HIS 71 N -0.62 1.24 -0.26 2.13 3.76 -1.26 -4.38 115.29 115.90 1juh s HIS 71 Ca 0.00 -0.27 -0.10 0.00 -0.15 0.00 0.00 55.06 54.55 1juh s HIS 71 Cb 0.00 -0.78 -0.04 0.00 1.11 0.00 0.00 32.58 32.86 1juh s HIS 71 CO 0.00 -0.00 0.15 -0.47 -0.85 0.00 0.00 174.74 173.56 1juh s TYR 72 N -0.47 3.21 -0.02 1.40 6.14 0.08 -3.93 117.35 123.77 1juh s TYR 72 Ca 0.04 0.01 -0.02 0.00 0.64 0.00 0.00 57.07 57.74 1juh s TYR 72 Cb -0.06 -2.30 -0.04 0.00 0.42 0.00 0.00 41.96 39.98 1juh s TYR 72 CO -0.00 -0.14 0.11 -2.00 0.64 0.00 0.00 175.55 174.17 1juh s GLU 73 N 1.47 3.21 -0.05 4.97 2.12 -0.38 -1.74 118.70 128.30 1juh s GLU 73 Ca 0.07 -0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.00 1juh s GLU 73 Cb -0.15 -2.96 0.02 0.00 0.26 0.00 0.00 34.13 31.31 1juh s GLU 73 CO 0.07 0.67 -0.02 -0.80 -0.54 0.00 0.00 175.26 174.64 1juh s ASN 74 N -1.69 1.01 -0.20 -1.70 0.01 -0.70 -0.86 114.94 110.80 1juh s ASN 74 Ca 0.23 -0.10 -0.04 0.00 -0.71 0.00 0.00 52.86 52.24 1juh s ASN 74 Cb -0.12 -0.41 -0.02 0.00 0.41 0.00 0.00 41.25 41.12 1juh s ASN 74 CO 0.14 -0.10 -0.03 -0.36 -1.51 0.00 0.00 177.10 175.24 1juh s PHE 75 N 1.20 2.98 -0.08 2.20 0.40 0.00 -1.86 117.98 122.82 1juh s PHE 75 Ca -0.07 -0.72 0.02 0.00 -0.60 0.00 0.00 56.93 55.57 1juh s PHE 75 Cb -0.14 -2.08 0.01 0.00 0.51 0.00 0.00 43.02 41.33 1juh s PHE 75 CO -0.02 -0.40 -0.15 -0.47 0.70 0.00 0.00 175.22 174.89 1juh s TYR 76 N 1.20 1.77 -0.41 0.36 5.04 -0.30 -0.53 117.35 124.47 1juh s TYR 76 Ca 0.03 -0.71 -0.19 0.00 -2.44 0.00 0.00 57.07 53.75 1juh s TYR 76 Cb -0.14 -1.26 0.02 0.00 0.35 0.00 0.00 41.96 40.92 1juh s TYR 76 CO -0.00 -0.35 0.55 0.00 -1.34 0.00 0.00 175.55 174.41 1juh h ASN 78 N 8.74 0.92 -5.06 0.00 4.21 -1.52 0.38 115.58 123.26 1juh h ASN 78 Ca -0.26 -0.73 0.09 0.00 1.21 0.00 0.00 56.30 56.61 1juh h ASN 78 Cb 1.11 -0.28 -0.08 0.00 -1.12 0.00 0.00 38.32 37.94 1juh h ASN 78 CO 0.84 1.53 0.34 -1.59 -1.29 0.00 0.00 177.43 177.25 1juh s LYS 79 N -3.36 1.40 4.42 0.81 -2.85 -1.20 -4.45 119.74 114.50 1juh s LYS 79 Ca -0.10 -0.71 0.00 0.00 -1.00 0.00 0.00 55.97 54.16 1juh s LYS 79 Cb 0.07 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.36 1juh s LYS 79 CO 0.92 -0.63 0.00 0.41 0.10 0.00 0.00 175.35 176.15 1juh n GLY 80 N -0.42 1.03 3.59 0.59 0.00 -1.18 -1.26 105.19 107.53 1juh n GLY 80 Ca -0.08 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 1juh n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1juh s SER 81 N -4.00 -0.35 -0.02 1.61 0.15 -1.26 -3.57 113.70 106.26 1juh s SER 81 Ca 0.00 0.45 -0.14 0.00 0.70 0.00 0.00 55.95 56.95 1juh s SER 81 Cb 0.00 0.38 0.02 0.00 -1.71 0.00 0.00 66.02 64.71 1juh s SER 81 CO 0.00 -0.28 0.30 0.72 1.20 0.00 0.00 173.24 175.19 1juh s PHE 82 N -0.84 -0.18 0.06 3.44 -0.12 -0.79 -0.81 117.98 118.75 1juh s PHE 82 Ca 0.00 0.27 -0.11 0.00 -0.05 0.00 0.00 56.93 57.04 1juh s PHE 82 Cb -0.01 0.09 -0.06 0.00 -0.63 0.00 0.00 43.02 42.41 1juh s PHE 82 CO -0.01 -0.38 0.41 -1.14 -0.05 0.00 0.00 175.22 174.05 1juh s GLN 83 N -1.29 3.80 -0.06 1.99 0.74 0.25 -0.62 119.66 124.48 1juh s GLN 83 Ca -0.13 0.23 0.03 0.00 0.05 0.00 0.00 55.36 55.55 1juh s GLN 83 Cb -0.05 -3.04 0.00 0.00 1.10 0.00 0.00 33.01 31.02 1juh s GLN 83 CO 0.04 0.58 -0.16 -1.17 -0.55 0.00 0.00 175.29 174.04 1juh s LEU 84 N -1.74 1.83 -0.06 3.68 2.96 -0.03 -1.28 118.68 124.05 1juh s LEU 84 Ca 0.31 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.92 1juh s LEU 84 Cb -0.14 -0.94 -0.02 0.00 0.50 0.00 0.00 46.19 45.58 1juh s LEU 84 CO 0.17 0.11 -0.18 0.26 -1.32 0.00 0.00 176.35 175.39 1juh s TRP 85 N 0.30 2.61 -0.11 5.38 0.51 -0.47 -1.70 118.94 125.45 1juh s TRP 85 Ca -0.09 -0.35 -0.15 0.00 -2.12 0.00 0.00 56.10 53.39 1juh s TRP 85 Cb -0.14 -1.63 0.04 0.00 -0.81 0.00 0.00 33.47 30.93 1juh s TRP 85 CO 0.03 0.04 0.40 0.00 -0.51 0.00 0.00 176.95 176.91 1juh s ALA 86 N -0.50 -0.99 -0.15 0.98 0.00 0.27 -2.47 121.76 118.90 1juh s ALA 86 Ca 0.06 0.96 -0.09 0.00 0.00 0.00 0.00 51.96 52.90 1juh s ALA 86 Cb -0.12 -0.46 0.05 0.00 0.00 0.00 0.00 23.12 22.60 1juh s ALA 86 CO 0.01 -0.22 0.37 -1.14 0.00 0.00 0.00 175.76 174.78 1juh s GLN 87 N -0.22 0.36 -0.23 0.00 0.74 -0.31 -1.12 119.66 118.89 1juh s GLN 87 Ca -0.04 0.68 -0.08 0.00 0.05 0.00 0.00 55.36 55.97 1juh s GLN 87 Cb -0.03 -0.00 -0.04 0.00 1.10 0.00 0.00 33.01 34.04 1juh s GLN 87 CO 0.02 -0.14 0.08 0.45 -0.55 0.00 0.00 175.29 175.15 1juh s SER 88 N 1.15 5.44 0.45 6.67 0.15 -1.26 -1.35 113.70 124.94 1juh s SER 88 Ca -0.08 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1juh s SER 88 Cb -0.08 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1juh s SER 88 CO -0.09 0.04 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1juh n GLY 89 N 4.45 2.68 1.50 9.45 0.00 -1.26 -0.84 105.19 121.17 1juh n GLY 89 Ca -0.16 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1juh n GLY 89 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1juh n ASN 90 N 2.93 4.42 -4.77 1.61 0.23 -1.26 -4.96 115.26 113.48 1juh n ASN 90 Ca 0.00 -2.27 -0.33 0.00 -0.53 0.00 0.00 54.58 51.45 1juh n ASN 90 Cb 0.00 -0.55 0.05 0.00 -2.08 0.00 0.00 39.78 37.21 1juh n ASN 90 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1juh s GLU 91 N -1.53 2.71 0.29 -3.83 2.02 -0.02 -4.92 118.70 113.42 1juh s GLU 91 Ca 0.50 1.40 -0.30 0.00 0.02 0.00 0.00 54.97 56.60 1juh s GLU 91 Cb 0.30 -1.94 -0.12 0.00 0.10 0.00 0.00 34.13 32.47 1juh s GLU 91 CO 0.28 -1.33 1.51 2.41 0.02 0.00 0.00 175.26 178.15 1juh n THR 92 N -2.52 1.17 -2.11 3.63 -1.04 -1.26 -4.60 114.28 107.54 1juh n THR 92 Ca 0.10 -0.29 -0.41 0.00 -2.04 0.00 0.00 64.05 61.41 1juh n THR 92 Cb 0.52 -1.79 -0.03 0.00 -1.82 0.00 0.00 70.33 67.21 1juh n THR 92 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1juh s GLN 93 N -0.73 4.32 0.12 -2.82 0.74 -1.26 -4.79 119.66 115.24 1juh s GLN 93 Ca 0.64 2.17 0.09 0.00 0.05 0.00 0.00 55.36 58.30 1juh s GLN 93 Cb -0.54 -3.17 -0.04 0.00 1.10 0.00 0.00 33.01 30.36 1juh s GLN 93 CO 0.51 -0.36 -0.16 -0.65 -0.55 0.00 0.00 175.29 174.08 1juh s GLN 94 N 0.02 1.84 -0.15 1.67 -1.52 -0.27 -4.32 119.66 116.94 1juh s GLN 94 Ca 0.60 -1.16 -0.14 0.00 -1.95 0.00 0.00 55.36 52.71 1juh s GLN 94 Cb -0.39 -2.15 0.04 0.00 -0.22 0.00 0.00 33.01 30.29 1juh s GLN 94 CO 0.39 0.48 0.40 -0.08 -0.25 0.00 0.00 175.29 176.23 1juh s THR 95 N -1.17 0.00 0.03 -0.19 -1.32 -0.57 -0.57 115.64 111.85 1juh s THR 95 Ca 0.19 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 1juh s THR 95 Cb -0.11 -0.56 -0.02 0.00 -1.51 0.00 0.00 72.50 70.30 1juh s THR 95 CO 0.11 -0.00 -0.03 -0.13 -2.21 0.00 0.00 174.62 172.35 1juh s ARG 96 N 0.19 0.39 -0.37 7.08 1.81 -0.69 -2.04 118.95 125.31 1juh s ARG 96 Ca -0.00 -0.74 -0.13 0.00 -1.72 0.00 0.00 55.73 53.14 1juh s ARG 96 Cb -0.03 0.09 0.00 0.00 -0.45 0.00 0.00 34.95 34.56 1juh s ARG 96 CO 0.01 -0.05 0.25 0.08 -0.68 0.00 0.00 175.30 174.91 1juh s VAL 97 N -1.91 5.12 -0.04 3.52 1.01 0.25 -0.85 120.40 127.51 1juh s VAL 97 Ca -0.11 -0.50 -0.23 0.00 0.00 0.00 0.00 61.98 61.14 1juh s VAL 97 Cb -0.07 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1juh s VAL 97 CO -0.02 -0.15 0.67 -0.76 0.00 0.00 0.00 175.10 174.83 1juh s LEU 98 N 1.67 4.36 0.00 3.92 1.02 0.21 -4.93 118.68 124.93 1juh s LEU 98 Ca 0.05 1.20 0.01 0.00 0.02 0.00 0.00 54.13 55.41 1juh s LEU 98 Cb -0.18 -3.04 0.01 0.00 0.02 0.00 0.00 46.19 42.99 1juh s LEU 98 CO 0.09 -0.03 0.05 -1.54 0.02 0.00 0.00 176.35 174.94 1juh n SER 99 N 3.35 2.23 -4.69 2.29 3.41 -1.26 -1.89 113.62 117.07 1juh n SER 99 Ca -0.03 -1.79 -0.58 0.00 -0.26 0.00 0.00 58.87 56.21 1juh n SER 99 Cb 0.51 0.08 -0.07 0.00 -0.26 0.00 0.00 64.21 64.47 1juh n SER 99 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1juh n SER 100 N -1.39 1.99 0.00 4.04 7.64 -1.23 -1.08 113.62 123.58 1juh n SER 100 Ca -0.06 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1juh n SER 100 Cb 0.24 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1juh n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1juh n GLY 101 N 3.75 1.17 3.86 0.23 0.00 0.13 -4.76 105.19 109.57 1juh n GLY 101 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 1juh n GLY 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1juh s ASP 102 N -3.10 6.49 0.01 1.61 1.01 -0.24 -3.79 116.67 118.66 1juh s ASP 102 Ca 0.00 1.38 0.02 0.00 0.71 0.00 0.00 52.55 54.66 1juh s ASP 102 Cb 0.00 -2.44 -0.01 0.00 1.01 0.00 0.00 42.92 41.49 1juh s ASP 102 CO 0.00 -0.59 -0.06 -0.47 0.21 0.00 0.00 175.17 174.26 1juh s TYR 103 N -2.68 0.50 -0.07 4.23 5.04 -0.36 -1.46 117.35 122.56 1juh s TYR 103 Ca 0.55 -0.18 0.01 0.00 -2.44 0.00 0.00 57.07 55.02 1juh s TYR 103 Cb -0.10 -0.32 0.02 0.00 0.35 0.00 0.00 41.96 41.91 1juh s TYR 103 CO 0.37 -0.02 -0.08 0.20 -1.34 0.00 0.00 175.55 174.67 1juh s GLY 104 N -0.44 0.67 -0.19 8.97 0.00 0.31 -0.75 107.32 115.89 1juh s GLY 104 Ca -0.01 -0.30 -0.07 0.00 0.00 0.00 0.00 44.72 44.34 1juh s GLY 104 CO -0.00 0.42 0.06 -0.45 0.00 0.00 0.00 173.10 173.13 1juh s SER 105 N 1.03 5.51 -0.49 1.64 0.15 0.41 -0.82 113.70 121.14 1juh s SER 105 Ca -0.08 0.03 0.03 0.00 0.70 0.00 0.00 55.95 56.62 1juh s SER 105 Cb -0.14 -1.95 0.14 0.00 -1.71 0.00 0.00 66.02 62.36 1juh s SER 105 CO -0.00 0.14 0.29 -0.69 1.20 0.00 0.00 173.24 174.18 1juh s VAL 106 N 0.54 1.72 1.19 4.45 1.01 -0.04 -2.75 120.40 126.53 1juh s VAL 106 Ca 0.03 -2.93 -0.13 0.00 0.00 0.00 0.00 61.98 58.94 1juh s VAL 106 Cb -0.13 -2.19 0.30 0.00 0.00 0.00 0.00 36.38 34.36 1juh s VAL 106 CO 0.01 -0.92 1.02 -2.84 0.00 0.00 0.00 175.10 172.37 1juh s PRO 107 N -0.03 -1.16 0.62 2.72 0.02 -1.26 -1.25 135.00 134.66 1juh s PRO 107 Ca 0.20 0.76 -0.18 0.00 0.02 0.00 0.00 61.00 61.79 1juh s PRO 107 Cb -0.19 -1.53 -0.03 0.00 0.02 0.00 0.00 34.50 32.76 1juh s PRO 107 CO -0.04 -3.86 1.12 0.54 -0.33 0.00 0.00 177.00 174.43 1juh n ARG 108 N -5.01 1.02 -2.51 5.54 1.74 -1.25 -2.99 116.66 113.20 1juh n ARG 108 Ca 0.03 0.40 -0.19 0.00 -0.77 0.00 0.00 57.85 57.32 1juh n ARG 108 Cb 0.55 -2.34 0.00 0.00 -1.02 0.00 0.00 32.46 29.65 1juh n ARG 108 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1juh n ASN 109 N -1.29 -5.39 -4.24 0.55 3.02 0.16 -4.90 115.26 103.17 1juh n ASN 109 Ca 0.15 -0.09 -0.34 0.00 -0.03 0.00 0.00 54.58 54.27 1juh n ASN 109 Cb 0.48 -4.39 -0.15 0.00 -0.61 0.00 0.00 39.78 35.11 1juh n ASN 109 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1juh s VAL 110 N -2.97 2.75 0.27 2.41 1.01 -1.16 -4.57 120.40 118.15 1juh s VAL 110 Ca 0.08 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 1juh s VAL 110 Cb -0.03 -2.20 -0.09 0.00 0.00 0.00 0.00 36.38 34.06 1juh s VAL 110 CO 0.10 0.49 1.18 -0.89 0.00 0.00 0.00 175.10 175.98 1juh s THR 111 N 1.18 3.28 0.21 3.92 2.01 -0.46 -4.48 115.64 121.30 1juh s THR 111 Ca 0.02 1.23 -0.20 0.00 0.31 0.00 0.00 61.69 63.05 1juh s THR 111 Cb -0.14 -3.79 0.04 0.00 0.01 0.00 0.00 72.50 68.62 1juh s THR 111 CO -0.05 0.27 0.60 -1.38 -0.69 0.00 0.00 174.62 173.37 1juh s HIS 112 N -0.89 -0.25 0.18 4.92 -3.43 -0.27 -1.16 115.29 114.40 1juh s HIS 112 Ca 0.48 -0.08 -0.24 0.00 -0.80 0.00 0.00 55.06 54.41 1juh s HIS 112 Cb -0.34 0.53 0.05 0.00 -1.43 0.00 0.00 32.58 31.39 1juh s HIS 112 CO 0.43 -0.99 0.91 -0.08 -2.00 0.00 0.00 174.74 173.01 1juh s THR 113 N -3.85 0.00 0.18 -5.38 -1.32 -1.03 -2.00 115.64 102.23 1juh s THR 113 Ca 0.08 -0.74 -0.09 0.00 -1.21 0.00 0.00 61.69 59.73 1juh s THR 113 Cb -0.02 -2.00 -0.01 0.00 -1.51 0.00 0.00 72.50 68.96 1juh s THR 113 CO -0.03 0.00 0.30 0.72 -2.21 0.00 0.00 174.62 173.40 1juh s PHE 114 N -3.43 0.45 -0.08 9.09 -0.12 -1.26 -1.37 117.98 121.26 1juh s PHE 114 Ca 0.12 -0.80 -0.04 0.00 -0.05 0.00 0.00 56.93 56.16 1juh s PHE 114 Cb -0.02 -0.06 0.04 0.00 -0.63 0.00 0.00 43.02 42.35 1juh s PHE 114 CO 0.03 -0.75 0.18 -1.14 -0.05 0.00 0.00 175.22 173.49 1juh s GLN 115 N -3.99 0.13 -0.05 1.99 0.74 -0.41 -0.30 119.66 117.77 1juh s GLN 115 Ca 0.19 0.42 -0.30 0.00 0.05 0.00 0.00 55.36 55.73 1juh s GLN 115 Cb 0.03 -0.16 -0.03 0.00 1.10 0.00 0.00 33.01 33.95 1juh s GLN 115 CO 0.02 -0.17 1.06 0.42 -0.55 0.00 0.00 175.29 176.08 1juh s ILE 116 N 1.22 4.61 -0.26 -2.34 -1.09 -1.26 -0.58 121.20 121.50 1juh s ILE 116 Ca -0.09 1.89 -0.13 0.00 -2.23 0.00 0.00 60.65 60.08 1juh s ILE 116 Cb -0.11 -4.21 -0.11 0.00 -1.58 0.00 0.00 42.46 36.45 1juh s ILE 116 CO -0.07 0.05 -0.34 1.67 -1.23 0.00 0.00 174.94 175.03 1juh n GLN 117 N 4.65 0.55 -3.41 2.79 7.27 0.01 -1.50 117.38 127.73 1juh n GLN 117 Ca 0.09 0.24 -0.29 0.00 0.07 0.00 0.00 57.00 57.11 1juh n GLN 117 Cb 0.49 -1.42 -0.03 0.00 2.41 0.00 0.00 30.24 31.68 1juh n GLN 117 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1juh s ASP 118 N -7.33 6.45 0.27 1.69 1.01 -0.97 -4.39 116.67 113.39 1juh s ASP 118 Ca -0.36 0.67 -0.02 0.00 0.71 0.00 0.00 52.55 53.54 1juh s ASP 118 Cb 0.14 -2.12 0.42 0.00 1.01 0.00 0.00 42.92 42.37 1juh s ASP 118 CO 0.46 -0.15 1.87 -0.65 0.21 0.00 0.00 175.17 176.90 1juh h PRO 119 N 1.82 1.10 -2.37 8.23 0.11 -1.90 -3.18 132.00 135.82 1juh h PRO 119 Ca -0.48 -0.07 -0.71 0.00 0.11 0.00 0.00 66.00 64.86 1juh h PRO 119 Cb 1.19 -0.25 -0.34 0.00 0.11 0.00 0.00 31.00 31.71 1juh h PRO 119 CO 0.67 0.72 0.20 -3.47 -0.21 0.00 0.00 178.00 175.91 1juh n ASP 120 N -4.53 5.72 -4.79 -2.05 2.03 -1.26 -4.14 116.55 107.53 1juh n ASP 120 Ca 0.16 -3.61 -0.38 0.00 0.52 0.00 0.00 54.79 51.48 1juh n ASP 120 Cb 0.21 -0.91 -0.06 0.00 -0.72 0.00 0.00 41.12 39.64 1juh n ASP 120 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1juh s THR 121 N -3.83 5.13 -0.06 5.18 2.01 -1.15 -3.09 115.64 119.83 1juh s THR 121 Ca 0.41 0.80 0.01 0.00 0.31 0.00 0.00 61.69 63.22 1juh s THR 121 Cb 0.19 -3.72 0.02 0.00 0.01 0.00 0.00 72.50 69.00 1juh s THR 121 CO -0.07 0.48 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.58 1juh s GLU 122 N -0.38 1.03 -0.16 4.92 2.12 -0.39 -1.87 118.70 123.98 1juh s GLU 122 Ca 0.23 -0.15 0.02 0.00 0.36 0.00 0.00 54.97 55.42 1juh s GLU 122 Cb -0.16 -1.03 0.01 0.00 0.26 0.00 0.00 34.13 33.22 1juh s GLU 122 CO 0.11 -0.10 -0.21 1.41 -0.54 0.00 0.00 175.26 175.93 1juh s MET 123 N 1.06 3.03 -0.21 4.30 -2.45 0.15 -1.31 119.30 123.87 1juh s MET 123 Ca -0.08 -0.84 -0.08 0.00 -1.25 0.00 0.00 55.69 53.44 1juh s MET 123 Cb -0.14 -2.50 -0.04 0.00 1.25 0.00 0.00 34.83 33.39 1juh s MET 123 CO -0.01 -0.08 0.09 0.99 1.05 0.00 0.00 175.02 177.06 1juh s THR 124 N 0.99 4.91 -0.10 10.11 2.01 0.84 -0.17 115.64 134.24 1juh s THR 124 Ca -0.02 0.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 1juh s THR 124 Cb -0.15 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 1juh s THR 124 CO -0.06 0.41 -0.06 -0.83 -0.69 0.00 0.00 174.62 173.39 1juh s GLY 125 N 0.72 1.70 -0.22 4.40 0.00 0.40 -1.15 107.32 113.17 1juh s GLY 125 Ca 0.05 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 43.92 1juh s GLY 125 CO 0.02 -0.44 -0.14 0.14 0.00 0.00 0.00 173.10 172.68 1juh s VAL 126 N -0.36 1.99 -0.07 1.40 1.01 -0.78 -1.15 120.40 122.44 1juh s VAL 126 Ca 0.05 -1.24 0.05 0.00 0.00 0.00 0.00 61.98 60.83 1juh s VAL 126 Cb -0.12 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 1juh s VAL 126 CO 0.02 0.21 -0.22 -0.63 0.00 0.00 0.00 175.10 174.48 1juh s ILE 127 N 1.24 2.33 -0.07 2.22 1.09 -0.36 -1.72 121.20 125.93 1juh s ILE 127 Ca -0.02 -0.96 0.03 0.00 -1.10 0.00 0.00 60.65 58.60 1juh s ILE 127 Cb -0.17 -1.88 0.01 0.00 -1.06 0.00 0.00 42.46 39.36 1juh s ILE 127 CO -0.08 0.56 -0.15 -0.69 -0.10 0.00 0.00 174.94 174.48 1juh s VAL 128 N -0.08 1.33 1.04 2.92 1.01 -0.71 -1.15 120.40 124.76 1juh s VAL 128 Ca -0.05 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 1juh s VAL 128 Cb -0.14 -1.18 0.23 0.00 0.00 0.00 0.00 36.38 35.28 1juh s VAL 128 CO 0.04 0.40 1.27 -2.16 0.00 0.00 0.00 175.10 174.65 1juh s PRO 129 N 0.47 0.06 0.87 2.72 0.04 -1.26 -0.74 135.00 137.16 1juh s PRO 129 Ca -0.13 -0.35 -0.13 0.00 0.04 0.00 0.00 61.00 60.43 1juh s PRO 129 Cb -0.15 -1.77 0.12 0.00 0.04 0.00 0.00 34.50 32.74 1juh s PRO 129 CO 0.04 -2.81 1.22 0.20 0.04 0.00 0.00 177.00 175.69 1juh s GLY 130 N -4.64 1.65 0.00 0.56 0.00 0.05 -4.40 107.32 100.54 1juh s GLY 130 Ca 0.74 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.64 1juh s GLY 130 CO 0.54 -0.23 0.00 0.61 0.00 0.00 0.00 173.10 174.02 1juh n GLY 131 N -3.37 0.34 0.29 0.20 0.00 -1.26 -4.77 105.19 96.62 1juh n GLY 131 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.26 1juh n GLY 131 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1juh h PHE 132 N 0.00 0.00 -0.01 1.61 3.57 -1.93 -2.85 116.94 117.32 1juh h PHE 132 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1juh h PHE 132 Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1juh h PHE 132 CO 0.00 0.01 0.03 1.05 -2.23 0.00 0.00 178.31 177.17 1juh h GLU 133 N 0.00 0.00 -0.71 1.11 9.09 -1.94 -2.63 114.58 119.50 1juh h GLU 133 Ca -0.00 0.00 0.13 0.00 0.05 0.00 0.00 59.36 59.54 1juh h GLU 133 Cb 0.03 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.09 1juh h GLU 133 CO 0.00 0.00 0.48 -0.44 0.05 0.00 0.00 179.01 179.10 1juh h ASP 134 N 0.00 0.39 -0.62 3.06 3.32 -1.94 -0.21 116.42 120.42 1juh h ASP 134 Ca 0.01 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.13 1juh h ASP 134 Cb 0.06 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1juh h ASP 134 CO -0.00 0.21 0.34 0.25 -1.72 0.00 0.00 179.24 178.32 1juh h LEU 135 N 0.42 0.51 -0.78 1.55 5.85 -1.73 -2.49 115.31 118.64 1juh h LEU 135 Ca 0.34 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 59.01 1juh h LEU 135 Cb 0.76 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1juh h LEU 135 CO -0.11 0.33 -0.37 -0.26 -0.34 0.00 0.00 178.44 177.69 1juh h PHE 136 N 0.64 0.00 -0.37 1.25 0.04 -1.23 -1.51 116.94 115.76 1juh h PHE 136 Ca 0.27 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.96 1juh h PHE 136 Cb 0.15 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 1juh h PHE 136 CO -0.08 0.37 -0.13 1.88 -0.60 0.00 0.00 178.31 179.75 1juh h TYR 137 N 0.00 0.71 0.17 -0.55 0.05 -1.04 0.39 116.97 116.70 1juh h TYR 137 Ca -0.00 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.64 1juh h TYR 137 Cb 0.97 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.53 1juh h TYR 137 CO 0.00 0.75 -0.08 -0.92 -1.05 0.00 0.00 178.16 176.86 1juh h TYR 138 N 0.59 -0.21 -0.06 4.88 3.20 -1.14 -3.30 116.97 120.93 1juh h TYR 138 Ca 0.10 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.87 1juh h TYR 138 Cb 0.57 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1juh h TYR 138 CO 0.02 0.21 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.29 1juh h LEU 139 N -0.76 0.13-10.49 2.82 3.38 -1.25 -3.46 115.31 105.68 1juh h LEU 139 Ca -0.02 -0.05 -0.44 0.00 0.09 0.00 0.00 57.88 57.46 1juh h LEU 139 Cb 0.52 -0.04 0.04 0.00 0.09 0.00 0.00 40.66 41.28 1juh h LEU 139 CO 0.04 0.53 -0.05 -0.83 0.09 0.00 0.00 178.44 178.22 1juh s GLY 140 N -4.26 1.83 -0.15 0.83 0.00 0.14 -4.84 107.32 100.87 1juh s GLY 140 Ca -0.04 -1.34 0.01 0.00 0.00 0.00 0.00 44.72 43.35 1juh s GLY 140 CO 0.75 -1.07 -0.16 -1.59 0.00 0.00 0.00 173.10 171.03 1juh s THR 141 N -2.73 2.60 0.35 0.90 2.01 -0.29 -4.84 115.64 113.64 1juh s THR 141 Ca 0.57 -0.80 -0.26 0.00 0.31 0.00 0.00 61.69 61.51 1juh s THR 141 Cb -0.10 -2.09 -0.12 0.00 0.01 0.00 0.00 72.50 70.20 1juh s THR 141 CO 0.38 0.52 1.01 0.59 -0.69 0.00 0.00 174.62 176.44 1juh n ASN 142 N 3.98 1.32 -4.04 3.53 3.02 -1.26 -1.23 115.26 120.58 1juh n ASN 142 Ca -0.19 1.11 -0.28 0.00 -0.03 0.00 0.00 54.58 55.19 1juh n ASN 142 Cb 0.52 -1.33 -0.17 0.00 -0.61 0.00 0.00 39.78 38.20 1juh n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1juh s ALA 143 N -1.17 1.62 0.11 5.41 0.00 -0.41 -4.79 121.76 122.53 1juh s ALA 143 Ca 0.60 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 1juh s ALA 143 Cb -0.62 -0.82 -0.14 0.00 0.00 0.00 0.00 23.12 21.54 1juh s ALA 143 CO 0.59 -0.09 1.30 1.79 0.00 0.00 0.00 175.76 179.35 1juh h THR 144 N 5.98 1.29 -6.86 0.00 1.35 -1.94 -3.41 112.91 109.32 1juh h THR 144 Ca -0.31 -2.05 -0.51 0.00 -0.55 0.00 0.00 66.41 62.99 1juh h THR 144 Cb 1.17 2.08 -0.01 0.00 -1.73 0.00 0.00 68.15 69.66 1juh h THR 144 CO 0.48 0.64 -0.94 -0.67 -0.25 0.00 0.00 175.52 174.79 1juh n ASP 145 N -3.90 -3.87 -0.34 5.36 -0.08 -1.26 -4.84 116.55 107.62 1juh n ASP 145 Ca -0.08 -1.07 0.13 0.00 -1.51 0.00 0.00 54.79 52.26 1juh n ASP 145 Cb 0.77 -1.41 0.34 0.00 2.34 0.00 0.00 41.12 43.16 1juh n ASP 145 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1juh h THR 146 N -1.35 0.75 -0.00 5.18 2.02 -1.99 -1.22 112.91 116.29 1juh h THR 146 Ca -0.62 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1juh h THR 146 Cb 1.26 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1juh h THR 146 CO 0.41 0.14 -0.10 0.35 0.37 0.00 0.00 175.52 176.70 1juh n THR 147 N -4.69 0.00 -2.65 3.16 -2.24 -1.26 -4.92 114.28 101.68 1juh n THR 147 Ca 0.22 -0.07 -0.19 0.00 -2.27 0.00 0.00 64.05 61.74 1juh n THR 147 Cb 0.55 -0.06 0.01 0.00 -2.10 0.00 0.00 70.33 68.73 1juh n THR 147 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1juh n HIS 148 N -0.84 -1.31 -2.11 4.78 8.25 -0.46 -4.97 115.22 118.56 1juh n HIS 148 Ca 0.16 0.24 -0.40 0.00 -0.26 0.00 0.00 57.72 57.46 1juh n HIS 148 Cb 0.27 -3.82 -0.01 0.00 1.12 0.00 0.00 29.99 27.55 1juh n HIS 148 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1juh s THR 149 N -3.00 2.71 0.21 1.59 -1.32 -1.26 -4.91 115.64 109.65 1juh s THR 149 Ca 0.14 0.68 -0.15 0.00 -1.21 0.00 0.00 61.69 61.15 1juh s THR 149 Cb -0.06 -3.42 0.22 0.00 -1.51 0.00 0.00 72.50 67.73 1juh s THR 149 CO 0.17 0.13 1.62 -0.65 -2.21 0.00 0.00 174.62 173.68 1juh h PRO 150 N 3.06 -0.04 -3.97 7.08 0.11 -1.95 -3.43 132.00 132.86 1juh h PRO 150 Ca -0.49 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 1juh h PRO 150 Cb 1.23 0.01 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 1juh h PRO 150 CO 0.64 -0.03 -0.48 1.52 -0.21 0.00 0.00 178.00 179.44 1juh s TYR 151 N -6.19 0.30 -0.22 0.65 -0.85 -1.26 -4.65 117.35 105.14 1juh s TYR 151 Ca -0.14 -0.77 -0.29 0.00 -0.52 0.00 0.00 57.07 55.35 1juh s TYR 151 Cb 0.19 -0.18 -0.00 0.00 0.38 0.00 0.00 41.96 42.34 1juh s TYR 151 CO 0.73 -0.49 1.21 0.42 -1.52 0.00 0.00 175.55 175.89 1juh s ILE 152 N -3.89 4.35 0.69 -3.49 -1.09 -1.26 -5.02 121.20 111.50 1juh s ILE 152 Ca 0.06 1.61 -0.14 0.00 -2.23 0.00 0.00 60.65 59.96 1juh s ILE 152 Cb 0.06 -4.13 0.01 0.00 -1.58 0.00 0.00 42.46 36.83 1juh s ILE 152 CO -0.10 -0.24 1.11 -2.16 -1.23 0.00 0.00 174.94 172.32 1juh s PRO 153 N 3.58 2.64 0.00 2.79 0.04 -1.26 -5.02 135.00 137.77 1juh s PRO 153 Ca 0.52 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1juh s PRO 153 Cb -0.19 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1juh s PRO 153 CO 0.14 -1.38 0.00 -1.13 0.04 0.00 0.00 177.00 174.68 1juh n SER 154 N -2.66 0.00 0.00 6.66 3.41 -1.26 -5.21 113.62 114.57 1juh n SER 154 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1juh n SER 154 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1juh n SER 154 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1juh n SER 167 N 0.00 0.00 -0.28 4.04 7.64 -1.26 -5.26 113.62 118.50 1juh n SER 167 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1juh n SER 167 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1juh n SER 167 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1juh h THR 168 N 0.00 1.26 -0.53 0.44 2.02 -2.05 0.43 112.91 114.48 1juh h THR 168 Ca 0.00 -0.85 -0.06 0.00 0.77 0.00 0.00 66.41 66.27 1juh h THR 168 Cb 0.00 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 1juh h THR 168 CO 0.00 0.34 0.07 0.40 0.37 0.00 0.00 175.52 176.71 1juh h ILE 169 N 1.12 1.24 -0.22 3.11 2.04 -1.99 0.17 117.51 122.98 1juh h ILE 169 Ca 0.25 -0.92 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 1juh h ILE 169 Cb 0.25 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1juh h ILE 169 CO -0.02 0.33 -0.06 -1.28 0.00 0.00 0.00 178.15 177.13 1juh h SER 170 N 0.80 0.43 -0.68 1.72 0.87 -1.76 -2.68 113.55 112.25 1juh h SER 170 Ca 0.17 -0.37 0.03 0.00 -1.23 0.00 0.00 61.79 60.39 1juh h SER 170 Cb 0.37 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 1juh h SER 170 CO 0.01 0.70 0.42 0.74 -0.53 0.00 0.00 176.83 178.16 1juh h THR 171 N 0.15 1.07 -0.26 2.23 2.02 0.31 -1.94 112.91 116.49 1juh h THR 171 Ca 0.05 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1juh h THR 171 Cb 0.51 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1juh h THR 171 CO 0.02 0.15 0.10 -0.07 0.37 0.00 0.00 175.52 176.09 1juh h LEU 172 N 0.81 0.31 -1.73 2.58 3.38 -0.58 -2.46 115.31 117.62 1juh h LEU 172 Ca 0.28 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1juh h LEU 172 Cb 0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1juh h LEU 172 CO -0.12 0.29 0.17 1.56 0.09 0.00 0.00 178.44 180.43 1juh h GLN 173 N 0.36 0.35 0.00 1.13 4.20 -1.00 0.35 115.11 120.50 1juh h GLN 173 Ca 0.09 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1juh h GLN 173 Cb 0.08 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1juh h GLN 173 CO -0.01 0.23 0.00 0.43 -0.67 0.00 0.00 178.83 178.81 1juh n SER 174 N -4.49 0.30 -1.36 1.46 7.64 -0.93 -1.04 113.62 115.20 1juh n SER 174 Ca 0.01 0.57 0.08 0.00 1.01 0.00 0.00 58.87 60.55 1juh n SER 174 Cb 0.07 -0.64 0.32 0.00 -1.01 0.00 0.00 64.21 62.95 1juh n SER 174 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1juh n PHE 175 N -1.83 1.35 -3.56 1.43 3.72 0.03 -4.94 117.46 113.66 1juh n PHE 175 Ca 0.03 -0.69 -0.23 0.00 -0.05 0.00 0.00 57.45 56.51 1juh n PHE 175 Cb 0.19 -0.29 0.08 0.00 -0.94 0.00 0.00 39.48 38.52 1juh n PHE 175 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1juh n ASP 176 N 0.54 -5.98 -4.02 4.37 2.03 -0.20 -4.94 116.55 108.35 1juh n ASP 176 Ca 0.23 -0.53 -0.31 0.00 0.52 0.00 0.00 54.79 54.70 1juh n ASP 176 Cb 0.90 -4.91 -0.15 0.00 -0.72 0.00 0.00 41.12 36.23 1juh n ASP 176 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1juh s VAL 177 N -3.31 1.94 -0.34 5.18 1.01 -0.67 -4.25 120.40 119.95 1juh s VAL 177 Ca 0.53 -1.52 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 1juh s VAL 177 Cb -0.23 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.06 1juh s VAL 177 CO 0.71 -0.09 0.13 -0.31 0.00 0.00 0.00 175.10 175.54 1juh s TYR 178 N 1.20 3.24 0.36 5.22 1.51 -0.15 -2.61 117.35 126.12 1juh s TYR 178 Ca -0.07 -1.28 -0.28 0.00 -1.01 0.00 0.00 57.07 54.43 1juh s TYR 178 Cb -0.20 -2.31 -0.11 0.00 -0.11 0.00 0.00 41.96 39.24 1juh s TYR 178 CO -0.06 -0.70 1.42 0.00 -1.11 0.00 0.00 175.55 175.11 1juh s ALA 179 N 1.44 3.55 -0.73 3.71 0.00 -1.26 -0.99 121.76 127.48 1juh s ALA 179 Ca -0.00 1.46 0.04 0.00 0.00 0.00 0.00 51.96 53.46 1juh s ALA 179 Cb -0.19 -3.56 0.19 0.00 0.00 0.00 0.00 23.12 19.56 1juh s ALA 179 CO 0.04 -0.90 0.59 0.39 0.00 0.00 0.00 175.76 175.87 1juh n GLU 180 N 0.64 2.09 0.30 0.00 -0.58 -0.46 -4.89 120.64 117.74 1juh n GLU 180 Ca 0.01 -4.52 0.20 0.00 -0.42 0.00 0.00 57.16 52.42 1juh n GLU 180 Cb 0.40 -2.31 0.97 0.00 -0.57 0.00 0.00 31.44 29.94 1juh n GLU 180 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1juh h LEU 181 N 5.28 0.00 -0.04 -4.62 3.38 -1.93 -2.60 115.31 114.78 1juh h LEU 181 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1juh h LEU 181 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1juh h LEU 181 CO 0.76 0.00 -0.65 -1.54 0.09 0.00 0.00 178.44 177.10 1juh n SER 182 N -2.99 0.71 -4.70 -0.43 3.41 -1.26 -4.92 113.62 103.44 1juh n SER 182 Ca -0.01 -0.55 -0.42 0.00 -0.26 0.00 0.00 58.87 57.63 1juh n SER 182 Cb 0.16 0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 64.57 1juh n SER 182 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1juh s PHE 183 N -2.97 2.56 -0.28 7.33 5.36 -0.98 -4.99 117.98 124.01 1juh s PHE 183 Ca 0.11 0.39 -0.01 0.00 -0.96 0.00 0.00 56.93 56.46 1juh s PHE 183 Cb 0.17 -3.95 0.05 0.00 -0.34 0.00 0.00 43.02 38.95 1juh s PHE 183 CO 0.75 -3.75 -0.04 0.99 -1.46 0.00 0.00 175.22 171.71 1juh s THR 184 N 2.31 2.76 0.13 0.12 2.01 -1.26 -4.95 115.64 116.77 1juh s THR 184 Ca 0.73 -1.42 -0.34 0.00 0.31 0.00 0.00 61.69 60.97 1juh s THR 184 Cb -0.41 -2.58 -0.13 0.00 0.01 0.00 0.00 72.50 69.39 1juh s THR 184 CO 0.32 -0.06 1.63 -2.65 -0.69 0.00 0.00 174.62 173.17 1juh n PRO 185 N 4.58 2.23 -1.82 4.92 -0.02 -1.26 -4.90 135.00 138.72 1juh n PRO 185 Ca -0.14 0.80 -0.37 0.00 -2.02 0.00 0.00 63.50 61.77 1juh n PRO 185 Cb 0.43 -2.59 0.05 0.00 -0.02 0.00 0.00 33.50 31.37 1juh n PRO 185 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1juh s ARG 186 N 1.36 2.91 -0.17 -0.52 1.70 -1.26 -4.95 118.95 118.02 1juh s ARG 186 Ca 0.80 2.09 0.14 0.00 -0.47 0.00 0.00 55.73 58.29 1juh s ARG 186 Cb -0.66 -2.05 0.40 0.00 -0.57 0.00 0.00 34.95 32.07 1juh s ARG 186 CO 0.39 -1.32 1.20 0.25 -1.08 0.00 0.00 175.30 174.74 1juh n THR 187 N -1.43 1.84 -1.69 4.99 -2.24 -1.26 -4.71 114.28 109.78 1juh n THR 187 Ca 0.13 -2.79 -0.19 0.00 -2.27 0.00 0.00 64.05 58.93 1juh n THR 187 Cb 0.47 -0.06 0.10 0.00 -2.10 0.00 0.00 70.33 68.74 1juh n THR 187 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1juh n ASP 188 N -0.91 4.62 -4.75 3.42 5.75 -1.26 -5.03 116.55 118.39 1juh n ASP 188 Ca 0.17 -3.78 -0.41 0.00 -0.01 0.00 0.00 54.79 50.76 1juh n ASP 188 Cb 0.75 -0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 40.23 1juh n ASP 188 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1juh s THR 189 N -4.18 3.09 -0.04 2.12 2.01 -1.26 -4.75 115.64 112.63 1juh s THR 189 Ca 0.52 0.99 -0.02 0.00 0.31 0.00 0.00 61.69 63.49 1juh s THR 189 Cb 0.43 -3.63 0.03 0.00 0.01 0.00 0.00 72.50 69.33 1juh s THR 189 CO 0.01 0.19 0.10 -0.69 -0.69 0.00 0.00 174.62 173.54 1juh s VAL 190 N -0.53 -0.04 -1.52 3.82 1.01 -0.73 -4.87 120.40 117.54 1juh s VAL 190 Ca 0.52 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.51 1juh s VAL 190 Cb -0.37 -0.17 0.08 0.00 0.00 0.00 0.00 36.38 35.93 1juh s VAL 190 CO 0.44 0.06 0.93 0.59 0.00 0.00 0.00 175.10 177.12 1juh n ASN 191 N 3.92 -4.83 -0.31 3.32 3.02 -1.26 -2.19 115.26 116.93 1juh n ASN 191 Ca -0.23 -0.73 -0.04 0.00 -0.03 0.00 0.00 54.58 53.55 1juh n ASN 191 Cb 0.53 -3.86 -0.02 0.00 -0.61 0.00 0.00 39.78 35.82 1juh n ASN 191 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1juh n GLY 192 N -1.65 0.68 3.40 7.41 0.00 -1.26 -4.97 105.19 108.80 1juh n GLY 192 Ca 0.04 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 1juh n GLY 192 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1juh s THR 193 N -2.02 0.03 -0.16 2.61 -1.32 -0.93 -0.58 115.64 113.26 1juh s THR 193 Ca 0.00 -0.21 -0.28 0.00 -1.21 0.00 0.00 61.69 59.99 1juh s THR 193 Cb 0.00 -1.01 0.08 0.00 -1.51 0.00 0.00 72.50 70.06 1juh s THR 193 CO 0.00 -0.12 0.74 0.00 -2.21 0.00 0.00 174.62 173.03 1juh s ALA 194 N -2.82 -1.80 1.11 11.08 0.00 -0.87 -1.77 121.76 126.70 1juh s ALA 194 Ca -0.03 1.67 -0.17 0.00 0.00 0.00 0.00 51.96 53.43 1juh s ALA 194 Cb -0.00 -0.63 0.24 0.00 0.00 0.00 0.00 23.12 22.73 1juh s ALA 194 CO -0.05 -0.35 1.12 -0.35 0.00 0.00 0.00 175.76 176.14 1juh n PRO 195 N 1.73 -2.03 -1.46 0.00 -0.04 -1.26 -1.51 135.00 130.42 1juh n PRO 195 Ca -0.16 -1.75 -0.33 0.00 -0.04 0.00 0.00 63.50 61.22 1juh n PRO 195 Cb 0.56 -1.37 0.08 0.00 -0.04 0.00 0.00 33.50 32.73 1juh n PRO 195 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1juh s ALA 196 N -3.52 2.22 0.00 0.55 0.00 -1.26 -3.33 121.76 116.42 1juh s ALA 196 Ca 0.67 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1juh s ALA 196 Cb -0.04 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1juh s ALA 196 CO 0.49 -1.70 0.00 0.27 0.00 0.00 0.00 175.76 174.82 1juh n ASN 197 N -2.91 -2.46 -4.95 0.00 2.04 -1.26 -5.03 115.26 100.70 1juh n ASN 197 Ca 0.11 0.00 -0.23 0.00 -0.44 0.00 0.00 54.58 54.02 1juh n ASN 197 Cb 0.52 -0.41 0.00 0.00 -2.53 0.00 0.00 39.78 37.36 1juh n ASN 197 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1juh s THR 198 N -2.25 4.50 -0.26 5.53 -4.23 -1.21 -5.08 115.64 112.64 1juh s THR 198 Ca 0.00 -0.47 -0.05 0.00 -1.18 0.00 0.00 61.69 59.99 1juh s THR 198 Cb 0.00 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 70.19 1juh s THR 198 CO 0.00 -0.44 0.01 -0.69 -0.54 0.00 0.00 174.62 172.96 1juh s VAL 199 N -2.45 3.55 -0.24 2.29 1.01 -1.26 -5.05 120.40 118.24 1juh s VAL 199 Ca 0.45 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1juh s VAL 199 Cb -0.10 -2.76 0.10 0.00 0.00 0.00 0.00 36.38 33.62 1juh s VAL 199 CO 0.37 0.22 0.18 0.86 0.00 0.00 0.00 175.10 176.73 1juh s TRP 200 N 1.46 -0.01 -1.01 5.22 -0.00 -1.26 -4.82 118.94 118.51 1juh s TRP 200 Ca 0.03 -0.36 0.00 0.00 -0.00 0.00 0.00 56.10 55.78 1juh s TRP 200 Cb -0.16 -0.64 0.00 0.00 -0.00 0.00 0.00 33.47 32.67 1juh s TRP 200 CO -0.01 -0.73 0.00 0.72 -0.00 0.00 0.00 176.95 176.93 1juh n HIS 201 N 5.29 0.00 -0.60 5.86 8.25 -1.26 -4.83 115.22 127.92 1juh n HIS 201 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1juh n HIS 201 Cb 0.46 -1.94 0.00 0.00 1.12 0.00 0.00 29.99 29.63 1juh n HIS 201 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1juh n THR 202 N -2.65 0.27 0.00 1.59 -2.24 -1.26 -5.11 114.28 104.87 1juh n THR 202 Ca -0.10 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1juh n THR 202 Cb 0.35 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 1juh n THR 202 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1juh n GLY 203 N -0.13 -0.26 3.76 3.38 0.00 -1.26 -5.11 105.19 105.58 1juh n GLY 203 Ca 0.00 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 1juh n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1juh s ALA 204 N -2.00 3.16 -0.06 4.61 0.00 -1.26 -4.79 121.76 121.42 1juh s ALA 204 Ca 0.00 1.30 0.04 0.00 0.00 0.00 0.00 51.96 53.30 1juh s ALA 204 Cb 0.00 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 1juh s ALA 204 CO 0.00 -1.01 -0.18 -0.80 0.00 0.00 0.00 175.76 173.77 1juh s ASN 205 N -0.75 3.64 0.16 0.00 0.02 -0.22 -4.97 114.94 112.81 1juh s ASN 205 Ca 0.61 -0.34 0.06 0.00 -1.02 0.00 0.00 52.86 52.17 1juh s ASN 205 Cb -0.39 -0.93 -0.04 0.00 0.02 0.00 0.00 41.25 39.91 1juh s ASN 205 CO 0.50 0.28 0.04 0.00 0.02 0.00 0.00 177.10 177.94 1juh s ALA 206 N -0.36 3.34 0.49 0.60 0.00 -1.26 -4.02 121.76 120.55 1juh s ALA 206 Ca 0.03 -1.28 -0.20 0.00 0.00 0.00 0.00 51.96 50.51 1juh s ALA 206 Cb -0.12 -1.15 -0.08 0.00 0.00 0.00 0.00 23.12 21.77 1juh s ALA 206 CO 0.02 0.52 1.04 -0.51 0.00 0.00 0.00 175.76 176.83 1juh s LEU 207 N -2.90 3.81 0.21 0.00 1.02 -1.26 -4.78 118.68 114.79 1juh s LEU 207 Ca 0.28 1.91 -0.32 0.00 0.02 0.00 0.00 54.13 56.03 1juh s LEU 207 Cb -0.10 -4.56 -0.12 0.00 0.02 0.00 0.00 46.19 41.43 1juh s LEU 207 CO 0.20 -0.81 1.71 0.00 0.02 0.00 0.00 176.35 177.47 1juh n ALA 208 N -1.06 2.74 0.63 4.21 0.00 -1.26 -4.88 120.51 120.89 1juh n ALA 208 Ca 0.09 0.40 0.13 0.00 0.00 0.00 0.00 53.44 54.06 1juh n ALA 208 Cb 0.53 -2.51 0.38 0.00 0.00 0.00 0.00 19.45 17.84 1juh n ALA 208 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1juh n SER 209 N 3.87 0.79 -4.43 0.00 3.41 -1.26 -4.74 113.62 111.25 1juh n SER 209 Ca 0.16 0.51 -0.34 0.00 -0.26 0.00 0.00 58.87 58.94 1juh n SER 209 Cb 0.35 -0.67 -0.13 0.00 -0.26 0.00 0.00 64.21 63.50 1juh n SER 209 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1juh s THR 210 N -3.11 3.77 0.37 6.66 2.01 -1.26 -4.98 115.64 119.10 1juh s THR 210 Ca 0.10 -0.38 -0.28 0.00 0.31 0.00 0.00 61.69 61.44 1juh s THR 210 Cb 0.13 -2.68 -0.11 0.00 0.01 0.00 0.00 72.50 69.84 1juh s THR 210 CO 0.61 0.45 1.51 0.00 -0.69 0.00 0.00 174.62 176.51 1juh s ALA 211 N 0.86 3.60 0.00 7.40 0.00 -1.26 -2.70 121.76 129.66 1juh s ALA 211 Ca -0.00 1.60 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1juh s ALA 211 Cb -0.14 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1juh s ALA 211 CO 0.02 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.11 1juh n GLY 212 N 0.68 1.90 3.81 0.00 0.00 -1.26 -5.06 105.19 105.24 1juh n GLY 212 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1juh n GLY 212 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1juh s ASP 213 N -1.57 6.80 0.70 1.61 1.01 -1.10 -4.73 116.67 119.39 1juh s ASP 213 Ca 0.00 0.95 -0.11 0.00 0.71 0.00 0.00 52.55 54.10 1juh s ASP 213 Cb 0.00 -2.27 0.01 0.00 1.01 0.00 0.00 42.92 41.67 1juh s ASP 213 CO 0.00 0.25 1.07 -2.16 0.21 0.00 0.00 175.17 174.53 1juh s PRO 214 N -0.68 2.90 0.18 8.23 0.04 -1.26 -4.69 135.00 139.72 1juh s PRO 214 Ca 0.24 0.78 -0.20 0.00 0.04 0.00 0.00 61.00 61.86 1juh s PRO 214 Cb -0.17 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.42 1juh s PRO 214 CO 0.13 -1.08 0.56 1.52 0.04 0.00 0.00 177.00 178.17 1juh s TYR 215 N -3.14 -0.30 0.01 0.56 1.13 -1.11 -4.86 117.35 109.65 1juh s TYR 215 Ca 0.58 -0.00 0.02 0.00 -1.41 0.00 0.00 57.07 56.26 1juh s TYR 215 Cb -0.13 0.48 -0.01 0.00 -1.10 0.00 0.00 41.96 41.20 1juh s TYR 215 CO 0.54 -0.91 -0.07 -0.06 -2.51 0.00 0.00 175.55 172.55 1juh s PHE 216 N -3.82 0.60 -0.15 -3.49 0.40 -1.26 -0.44 117.98 109.81 1juh s PHE 216 Ca 0.05 -0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 56.14 1juh s PHE 216 Cb -0.01 -0.37 0.04 0.00 0.51 0.00 0.00 43.02 43.18 1juh s PHE 216 CO -0.07 -0.03 -0.07 0.42 0.70 0.00 0.00 175.22 176.18 1juh s ILE 217 N -0.57 1.15 0.40 0.64 -1.09 0.07 -4.75 121.20 117.05 1juh s ILE 217 Ca -0.02 -0.57 -0.23 0.00 -2.23 0.00 0.00 60.65 57.60 1juh s ILE 217 Cb -0.05 -1.27 -0.09 0.00 -1.58 0.00 0.00 42.46 39.47 1juh s ILE 217 CO 0.00 0.20 1.02 0.00 -1.23 0.00 0.00 174.94 174.94 1juh s ALA 218 N 1.63 3.07 -0.35 9.38 0.00 -1.26 -1.22 121.76 133.00 1juh s ALA 218 Ca 0.02 0.64 -0.39 0.00 0.00 0.00 0.00 51.96 52.23 1juh s ALA 218 Cb -0.15 -3.25 -0.14 0.00 0.00 0.00 0.00 23.12 19.58 1juh s ALA 218 CO -0.08 -0.14 2.01 -1.71 0.00 0.00 0.00 175.76 175.84 1juh n ASN 219 N -0.16 1.96 0.00 0.00 5.15 -1.25 -0.95 115.26 120.02 1juh n ASN 219 Ca 0.05 0.71 0.00 0.00 -0.60 0.00 0.00 54.58 54.75 1juh n ASN 219 Cb 0.50 -1.15 0.00 0.00 -0.53 0.00 0.00 39.78 38.61 1juh n ASN 219 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1juh n GLY 220 N 5.85 1.21 0.65 8.20 0.00 -1.26 -4.92 105.19 114.91 1juh n GLY 220 Ca 0.38 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.52 1juh n GLY 220 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1juh n TRP 221 N -2.00 0.00 -2.55 1.61 7.02 -0.12 -4.87 117.44 116.53 1juh n TRP 221 Ca 0.00 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.27 1juh n TRP 221 Cb 0.00 -0.01 0.11 0.00 -2.42 0.00 0.00 31.31 28.99 1juh n TRP 221 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1juh n GLY 222 N 1.37 0.58 3.76 6.99 0.00 -1.26 -1.06 105.19 115.57 1juh n GLY 222 Ca 0.12 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 1juh n GLY 222 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1juh s PRO 223 N -4.86 3.60 0.08 1.61 0.04 -1.26 -4.91 135.00 129.31 1juh s PRO 223 Ca 0.60 1.91 0.02 0.00 0.04 0.00 0.00 61.00 63.56 1juh s PRO 223 Cb -0.03 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1juh s PRO 223 CO 0.40 -0.72 -0.07 0.15 0.04 0.00 0.00 177.00 176.80 1juh s LYS 224 N -2.73 0.75 -0.01 4.56 1.02 -1.25 -3.77 119.74 118.30 1juh s LYS 224 Ca 0.65 -1.18 0.01 0.00 0.02 0.00 0.00 55.97 55.47 1juh s LYS 224 Cb -0.32 -0.21 0.01 0.00 -0.52 0.00 0.00 37.83 36.79 1juh s LYS 224 CO 0.39 -0.01 -0.03 0.71 -0.92 0.00 0.00 175.35 175.49 1juh s TYR 225 N -3.07 0.35 -0.20 3.18 1.51 -0.24 -1.51 117.35 117.36 1juh s TYR 225 Ca 0.06 -0.05 -0.08 0.00 -1.01 0.00 0.00 57.07 55.98 1juh s TYR 225 Cb 0.02 -0.29 -0.04 0.00 -0.11 0.00 0.00 41.96 41.54 1juh s TYR 225 CO -0.04 -0.05 0.09 -1.17 -1.11 0.00 0.00 175.55 173.27 1juh s LEU 226 N 0.25 3.87 -0.15 -1.29 2.96 0.53 -0.70 118.68 124.15 1juh s LEU 226 Ca -0.02 0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 53.94 1juh s LEU 226 Cb -0.05 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 1juh s LEU 226 CO -0.01 0.13 -0.09 0.21 -1.32 0.00 0.00 176.35 175.27 1juh s ASN 227 N 0.66 4.23 -0.13 3.68 3.84 0.54 -1.01 114.94 126.75 1juh s ASN 227 Ca 0.05 -0.30 0.16 0.00 0.21 0.00 0.00 52.86 52.97 1juh s ASN 227 Cb -0.13 -1.67 0.36 0.00 -0.55 0.00 0.00 41.25 39.26 1juh s ASN 227 CO 0.01 0.13 1.25 -1.54 -2.79 0.00 0.00 177.10 174.16 1juh n SER 228 N 3.80 2.95 0.07 -4.21 3.41 -1.26 -1.25 113.62 117.13 1juh n SER 228 Ca -0.18 -2.89 -0.06 0.00 -0.26 0.00 0.00 58.87 55.47 1juh n SER 228 Cb 0.52 -0.42 0.10 0.00 -0.26 0.00 0.00 64.21 64.15 1juh n SER 228 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1juh h GLN 229 N 0.83 0.30 -0.73 4.33 4.20 -1.95 -3.36 115.11 118.74 1juh h GLN 229 Ca 0.00 -0.21 -0.38 0.00 0.06 0.00 0.00 58.65 58.12 1juh h GLN 229 Cb 1.11 0.03 -0.41 0.00 0.30 0.00 0.00 27.48 28.51 1juh h GLN 229 CO 0.09 0.83 -1.02 0.66 -0.67 0.00 0.00 178.83 178.71 1juh n TYR 230 N -3.87 1.83 0.00 2.96 4.01 -1.26 -4.99 117.16 115.83 1juh n TYR 230 Ca -0.03 -2.39 0.00 0.00 -0.16 0.00 0.00 57.90 55.32 1juh n TYR 230 Cb 0.63 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 1juh n TYR 230 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1juh n GLY 231 N -0.51 -1.05 3.54 2.72 0.00 -1.26 -4.78 105.19 103.86 1juh n GLY 231 Ca 0.20 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.72 1juh n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1juh s TYR 232 N 0.00 3.17 -0.05 1.61 2.02 -1.26 -4.06 117.35 118.78 1juh s TYR 232 Ca 0.00 -0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.59 1juh s TYR 232 Cb 0.00 -2.21 0.01 0.00 -0.40 0.00 0.00 41.96 39.36 1juh s TYR 232 CO 0.00 -0.13 -0.11 -0.65 -1.57 0.00 0.00 175.55 173.10 1juh s GLN 233 N 1.18 1.36 -0.23 -0.62 -0.21 -0.38 -1.00 119.66 119.75 1juh s GLN 233 Ca 0.05 -0.35 -0.05 0.00 0.02 0.00 0.00 55.36 55.03 1juh s GLN 233 Cb -0.14 -1.18 -0.01 0.00 1.00 0.00 0.00 33.01 32.67 1juh s GLN 233 CO 0.04 0.06 -0.00 0.42 -2.12 0.00 0.00 175.29 173.69 1juh s ILE 234 N 0.50 3.68 -0.21 1.08 1.01 0.73 -0.34 121.20 127.65 1juh s ILE 234 Ca -0.10 -0.41 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 1juh s ILE 234 Cb -0.13 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.59 1juh s ILE 234 CO 0.02 0.38 0.12 -0.69 0.00 0.00 0.00 174.94 174.77 1juh s VAL 235 N 1.52 5.21 -0.53 2.92 1.01 0.13 -0.35 120.40 130.32 1juh s VAL 235 Ca 0.06 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 1juh s VAL 235 Cb -0.15 -3.39 0.14 0.00 0.00 0.00 0.00 36.38 32.98 1juh s VAL 235 CO -0.01 0.41 0.32 0.00 0.00 0.00 0.00 175.10 175.82 1juh s ALA 236 N 0.61 3.37 0.43 5.51 0.00 -0.21 -1.08 121.76 130.40 1juh s ALA 236 Ca 0.07 -2.98 -0.26 0.00 0.00 0.00 0.00 51.96 48.78 1juh s ALA 236 Cb -0.12 -2.49 -0.09 0.00 0.00 0.00 0.00 23.12 20.42 1juh s ALA 236 CO 0.01 -1.97 1.46 -2.14 0.00 0.00 0.00 175.76 173.11 1juh s PRO 237 N 0.37 3.80 -0.05 0.00 0.02 -1.25 -1.98 135.00 135.91 1juh s PRO 237 Ca 0.14 2.49 -0.01 0.00 0.02 0.00 0.00 61.00 63.64 1juh s PRO 237 Cb -0.22 -2.75 -0.03 0.00 0.02 0.00 0.00 34.50 31.52 1juh s PRO 237 CO -0.04 -0.75 -0.05 1.19 -0.33 0.00 0.00 177.00 177.02 1juh n PHE 238 N -0.01 0.00 -4.03 6.54 3.72 0.47 -4.78 117.46 119.37 1juh n PHE 238 Ca 0.04 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.26 1juh n PHE 238 Cb 0.41 -0.20 -0.16 0.00 -0.94 0.00 0.00 39.48 38.59 1juh n PHE 238 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1juh s VAL 239 N -2.10 0.31 0.46 -4.37 1.01 -0.27 -4.95 120.40 110.48 1juh s VAL 239 Ca -0.07 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1juh s VAL 239 Cb 0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 1juh s VAL 239 CO 0.11 0.16 0.10 0.42 0.00 0.00 0.00 175.10 175.89 1juh s THR 240 N 0.82 0.67 0.34 3.92 -4.23 -1.26 -2.12 115.64 113.78 1juh s THR 240 Ca -0.09 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.50 1juh s THR 240 Cb -0.12 -2.18 0.32 0.00 1.34 0.00 0.00 72.50 71.85 1juh s THR 240 CO -0.01 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 175.92 1juh h ALA 241 N 1.56 1.81 -0.73 3.99 0.00 -1.91 0.73 119.26 124.71 1juh h ALA 241 Ca -0.37 0.03 0.13 0.00 0.00 0.00 0.00 54.91 54.70 1juh h ALA 241 Cb 1.29 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 1juh h ALA 241 CO 0.60 -0.08 0.30 1.15 0.00 0.00 0.00 179.25 181.22 1juh h THR 242 N 0.71 0.69 0.07 0.00 2.02 -1.96 -0.78 112.91 113.67 1juh h THR 242 Ca 0.48 -0.16 -0.33 0.00 0.77 0.00 0.00 66.41 67.17 1juh h THR 242 Cb 0.78 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1juh h THR 242 CO -0.24 0.08 -1.86 0.00 0.37 0.00 0.00 175.52 173.87 1juh n GLN 243 N -4.98 0.70 -0.12 6.66 3.00 -0.51 -4.33 117.38 117.80 1juh n GLN 243 Ca 0.13 0.28 -0.11 0.00 -0.01 0.00 0.00 57.00 57.30 1juh n GLN 243 Cb 0.38 -1.75 0.02 0.00 0.00 0.00 0.00 30.24 28.89 1juh n GLN 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1juh h ALA 244 N 0.49 0.71 -0.65 -1.58 0.00 -0.75 -3.43 119.26 114.05 1juh h ALA 244 Ca -0.36 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1juh h ALA 244 Cb 2.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1juh h ALA 244 CO 0.09 0.66 0.00 1.04 0.00 0.00 0.00 179.25 181.04 1juh n GLN 245 N -4.09 0.00 0.00 0.00 1.13 -0.31 -1.40 117.38 112.72 1juh n GLN 245 Ca -0.01 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 55.12 1juh n GLN 245 Cb 0.49 0.00 0.31 0.00 0.11 0.00 0.00 30.24 31.15 1juh n GLN 245 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1juh n ASP 246 N 1.95 0.00 0.13 1.08 5.75 -1.26 -1.76 116.55 122.43 1juh n ASP 246 Ca 0.00 0.20 0.12 0.00 -0.01 0.00 0.00 54.79 55.10 1juh n ASP 246 Cb 0.00 -0.34 0.49 0.00 -1.03 0.00 0.00 41.12 40.24 1juh n ASP 246 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1juh n THR 247 N -1.34 0.84 -3.58 2.12 -2.24 -0.49 -4.92 114.28 104.67 1juh n THR 247 Ca 0.05 0.24 -0.17 0.00 -2.27 0.00 0.00 64.05 61.90 1juh n THR 247 Cb 0.11 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 1juh n THR 247 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1juh n ASN 248 N -2.22 -5.71 -3.63 3.42 5.15 -0.72 -4.89 115.26 106.65 1juh n ASN 248 Ca 0.02 -0.70 -0.07 0.00 -0.60 0.00 0.00 54.58 53.23 1juh n ASN 248 Cb 0.22 -2.74 -0.01 0.00 -0.53 0.00 0.00 39.78 36.73 1juh n ASN 248 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1juh s TYR 249 N -2.98 -0.11 0.08 1.20 1.13 -1.22 -0.94 117.35 114.51 1juh s TYR 249 Ca 0.00 -0.40 0.03 0.00 -1.41 0.00 0.00 57.07 55.29 1juh s TYR 249 Cb -0.00 0.74 -0.03 0.00 -1.10 0.00 0.00 41.96 41.57 1juh s TYR 249 CO 0.85 -1.32 -0.09 0.95 -2.51 0.00 0.00 175.55 173.44 1juh s THR 250 N -3.52 0.76 -0.08 -3.49 -4.23 -0.30 -4.55 115.64 100.24 1juh s THR 250 Ca 0.12 -1.56 -0.10 0.00 -1.18 0.00 0.00 61.69 58.98 1juh s THR 250 Cb -0.06 -1.23 0.02 0.00 1.34 0.00 0.00 72.50 72.57 1juh s THR 250 CO 0.08 -0.59 0.25 -0.22 -0.54 0.00 0.00 174.62 173.60 1juh s LEU 251 N -2.35 1.04 0.03 4.79 2.96 -0.90 -1.35 118.68 122.90 1juh s LEU 251 Ca 0.03 0.40 -0.27 0.00 -0.22 0.00 0.00 54.13 54.07 1juh s LEU 251 Cb -0.03 0.92 0.09 0.00 0.50 0.00 0.00 46.19 47.67 1juh s LEU 251 CO -0.01 -0.16 1.23 -0.94 -1.32 0.00 0.00 176.35 175.15 1juh s SER 252 N -0.19 0.00 0.10 3.68 1.04 -0.49 -0.40 113.70 117.45 1juh s SER 252 Ca -0.03 -0.31 0.07 0.00 0.48 0.00 0.00 55.95 56.16 1juh s SER 252 Cb -0.03 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 1juh s SER 252 CO 0.01 -0.45 -0.08 0.42 0.98 0.00 0.00 173.24 174.12 1juh s THR 253 N -2.06 3.49 -0.14 2.02 -4.23 -0.84 0.03 115.64 113.92 1juh s THR 253 Ca 0.27 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1juh s THR 253 Cb -0.01 -2.63 0.02 0.00 1.34 0.00 0.00 72.50 71.22 1juh s THR 253 CO 0.01 0.13 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.46 1juh s ILE 254 N -1.22 1.43 -0.07 2.99 1.01 -0.30 -1.04 121.20 124.01 1juh s ILE 254 Ca 0.22 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 60.28 1juh s ILE 254 Cb -0.11 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1juh s ILE 254 CO 0.14 0.44 0.14 -0.44 0.00 0.00 0.00 174.94 175.21 1juh s SER 255 N 1.53 6.21 0.00 3.58 0.01 0.53 -1.09 113.70 124.47 1juh s SER 255 Ca 0.05 0.37 0.02 0.00 1.31 0.00 0.00 55.95 57.70 1juh s SER 255 Cb -0.13 -1.95 -0.01 0.00 0.21 0.00 0.00 66.02 64.14 1juh s SER 255 CO -0.10 0.35 -0.07 -0.04 0.41 0.00 0.00 173.24 173.79 1juh s MET 256 N -1.38 0.55 0.74 12.44 1.00 0.80 -0.19 119.30 133.26 1juh s MET 256 Ca 0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 55.69 55.55 1juh s MET 256 Cb -0.12 -0.51 0.14 0.00 0.00 0.00 0.00 34.83 34.34 1juh s MET 256 CO 0.10 0.13 1.02 -1.54 0.00 0.00 0.00 175.02 174.73 1juh s SER 257 N -0.39 4.23 0.89 3.03 1.04 -0.17 -1.89 113.70 120.44 1juh s SER 257 Ca 0.01 -0.45 -0.12 0.00 0.48 0.00 0.00 55.95 55.87 1juh s SER 257 Cb -0.04 0.14 0.13 0.00 0.10 0.00 0.00 66.02 66.35 1juh s SER 257 CO -0.00 -1.95 1.13 0.42 0.98 0.00 0.00 173.24 173.81 1juh s THR 258 N -3.18 2.22 -0.26 2.02 -4.23 -1.25 -4.34 115.64 106.62 1juh s THR 258 Ca 0.67 0.07 -0.17 0.00 -1.18 0.00 0.00 61.69 61.09 1juh s THR 258 Cb -0.04 -2.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.97 1juh s THR 258 CO 0.45 -0.10 0.48 -0.89 -0.54 0.00 0.00 174.62 174.02 1juh s THR 259 N -3.23 5.10 0.72 3.99 2.01 -1.26 -4.51 115.64 118.46 1juh s THR 259 Ca 0.63 0.81 -0.15 0.00 0.31 0.00 0.00 61.69 63.29 1juh s THR 259 Cb -0.15 -3.80 0.04 0.00 0.01 0.00 0.00 72.50 68.60 1juh s THR 259 CO 0.54 0.11 1.19 -2.16 -0.69 0.00 0.00 174.62 173.60 1juh s PRO 260 N 2.23 2.22 0.61 4.92 0.04 -1.26 -4.89 135.00 138.87 1juh s PRO 260 Ca 0.20 1.68 0.32 0.00 0.04 0.00 0.00 61.00 63.23 1juh s PRO 260 Cb -0.16 -1.85 1.82 0.00 0.04 0.00 0.00 34.50 34.35 1juh s PRO 260 CO 0.09 -1.76 2.16 0.66 0.04 0.00 0.00 177.00 178.19 1juh h SER 261 N -0.30 0.00 0.25 6.66 4.64 -2.03 -1.31 113.55 121.47 1juh h SER 261 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1juh h SER 261 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1juh h SER 261 CO 0.50 0.00 -0.04 0.35 -0.87 0.00 0.00 176.83 176.78 1juh n THR 262 N -3.60 0.00 -4.87 2.95 -2.24 -1.26 -4.83 114.28 100.43 1juh n THR 262 Ca -0.00 -0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 61.40 1juh n THR 262 Cb 0.24 -0.27 -0.13 0.00 -2.10 0.00 0.00 70.33 68.06 1juh n THR 262 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1juh s VAL 263 N -2.29 3.09 -0.17 2.28 1.01 -0.49 -5.10 120.40 118.72 1juh s VAL 263 Ca 0.36 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 61.46 1juh s VAL 263 Cb 0.21 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1juh s VAL 263 CO 0.42 0.59 0.45 -0.89 0.00 0.00 0.00 175.10 175.66 1juh s THR 264 N -0.63 5.18 0.09 3.92 2.01 -1.26 -4.82 115.64 120.12 1juh s THR 264 Ca 0.09 0.84 -0.31 0.00 0.31 0.00 0.00 61.69 62.63 1juh s THR 264 Cb -0.11 -3.78 -0.10 0.00 0.01 0.00 0.00 72.50 68.52 1juh s THR 264 CO 0.01 0.27 1.89 -0.69 -0.69 0.00 0.00 174.62 175.41 1juh s VAL 265 N 1.08 2.74 0.68 3.82 1.01 -1.26 -4.94 120.40 123.53 1juh s VAL 265 Ca 0.22 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.11 1juh s VAL 265 Cb -0.15 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1juh s VAL 265 CO 0.09 -0.00 1.08 -2.16 0.00 0.00 0.00 175.10 174.10 1juh s PRO 266 N 3.47 2.85 -0.17 2.72 0.04 -1.26 -5.03 135.00 137.62 1juh s PRO 266 Ca 0.84 1.15 -0.04 0.00 0.04 0.00 0.00 61.00 62.99 1juh s PRO 266 Cb -0.45 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 1juh s PRO 266 CO 0.39 -1.18 -0.03 0.99 0.04 0.00 0.00 177.00 177.20 1juh s THR 267 N -2.73 3.87 0.23 1.26 2.01 -1.26 -4.53 115.64 114.50 1juh s THR 267 Ca 0.62 -0.36 0.09 0.00 0.31 0.00 0.00 61.69 62.34 1juh s THR 267 Cb -0.16 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1juh s THR 267 CO 0.48 0.48 0.02 0.26 -0.69 0.00 0.00 174.62 175.17 1juh s TRP 268 N 0.52 2.80 -0.29 4.92 0.52 0.69 -4.92 118.94 123.19 1juh s TRP 268 Ca -0.03 -0.18 -0.15 0.00 0.02 0.00 0.00 56.10 55.76 1juh s TRP 268 Cb -0.14 -1.28 0.10 0.00 -1.15 0.00 0.00 33.47 31.00 1juh s TRP 268 CO 0.03 0.57 0.75 0.45 0.02 0.00 0.00 176.95 178.76 1juh s SER 269 N -3.46 -0.89 0.08 2.95 0.15 -1.26 -0.80 113.70 110.47 1juh s SER 269 Ca 0.30 1.38 0.04 0.00 0.70 0.00 0.00 55.95 58.37 1juh s SER 269 Cb -0.08 1.51 -0.03 0.00 -1.71 0.00 0.00 66.02 65.72 1juh s SER 269 CO 0.20 -0.21 -0.11 -0.36 1.20 0.00 0.00 173.24 173.96 1juh s PHE 270 N 1.82 1.05 0.30 3.44 0.08 -1.26 -4.98 117.98 118.43 1juh s PHE 270 Ca -0.09 -0.57 0.02 0.00 0.12 0.00 0.00 56.93 56.41 1juh s PHE 270 Cb -0.06 -0.58 0.47 0.00 -0.57 0.00 0.00 43.02 42.28 1juh s PHE 270 CO -0.19 0.01 1.81 -1.00 -0.10 0.00 0.00 175.22 175.74 1juh h PRO 271 N 3.92 0.60 -6.21 0.24 0.13 -1.93 0.41 132.00 129.17 1juh h PRO 271 Ca -0.38 -0.16 -0.55 0.00 -0.87 0.00 0.00 66.00 64.04 1juh h PRO 271 Cb 1.19 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1juh h PRO 271 CO 0.47 0.66 -0.32 0.20 -0.23 0.00 0.00 178.00 178.78 1juh s GLY 272 N -3.84 1.93 0.69 1.56 0.00 -1.25 -4.03 107.32 102.38 1juh s GLY 272 Ca -0.08 -0.74 -0.15 0.00 0.00 0.00 0.00 44.72 43.74 1juh s GLY 272 CO 0.78 -0.68 1.17 0.00 0.00 0.00 0.00 173.10 174.37 1juh s ALA 273 N -1.81 2.30 0.19 3.20 0.00 -1.26 -4.04 121.76 120.34 1juh s ALA 273 Ca 0.39 0.77 -0.09 0.00 0.00 0.00 0.00 51.96 53.03 1juh s ALA 273 Cb -0.11 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 1juh s ALA 273 CO 0.28 -1.55 0.33 0.00 0.00 0.00 0.00 175.76 174.81 1juh s ALA 275 N -4.00 -1.58 0.01 0.00 0.00 -0.44 -0.73 121.76 115.02 1juh s ALA 275 Ca 0.21 0.43 -0.14 0.00 0.00 0.00 0.00 51.96 52.46 1juh s ALA 275 Cb 0.03 0.80 0.02 0.00 0.00 0.00 0.00 23.12 23.97 1juh s ALA 275 CO 0.04 -0.81 0.29 -0.59 0.00 0.00 0.00 175.76 174.68 1juh s PHE 276 N -3.66 -0.12 -0.14 0.00 -0.12 -0.73 -1.27 117.98 111.94 1juh s PHE 276 Ca 0.04 0.08 0.02 0.00 -0.05 0.00 0.00 56.93 57.02 1juh s PHE 276 Cb -0.02 0.08 0.00 0.00 -0.63 0.00 0.00 43.02 42.45 1juh s PHE 276 CO -0.09 -0.43 -0.21 -1.14 -0.05 0.00 0.00 175.22 173.31 1juh s GLN 277 N -1.90 3.08 0.15 1.99 0.74 -0.05 -1.04 119.66 122.63 1juh s GLN 277 Ca -0.10 -0.83 -0.31 0.00 0.05 0.00 0.00 55.36 54.17 1juh s GLN 277 Cb -0.03 -2.46 -0.09 0.00 1.10 0.00 0.00 33.01 31.53 1juh s GLN 277 CO 0.01 0.04 1.42 0.08 -0.55 0.00 0.00 175.29 176.28 1juh s VAL 278 N 0.71 3.10 -0.24 1.34 1.01 -0.42 -0.97 120.40 124.92 1juh s VAL 278 Ca -0.09 0.81 -0.05 0.00 0.00 0.00 0.00 61.98 62.64 1juh s VAL 278 Cb -0.16 -3.52 -0.13 0.00 0.00 0.00 0.00 36.38 32.57 1juh s VAL 278 CO 0.01 0.07 -0.26 0.00 0.00 0.00 0.00 175.10 174.92 1juh n GLN 279 N 3.67 0.56 -3.93 2.72 1.13 0.42 0.08 117.38 122.03 1juh n GLN 279 Ca 0.11 0.18 -0.11 0.00 -1.94 0.00 0.00 57.00 55.24 1juh n GLN 279 Cb 0.41 -1.43 -0.13 0.00 0.11 0.00 0.00 30.24 29.21 1juh n GLN 279 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1juh s GLU 280 N -2.46 0.16 0.35 -1.09 2.12 -0.80 -4.67 118.70 112.31 1juh s GLU 280 Ca -0.33 -0.27 0.00 0.00 0.36 0.00 0.00 54.97 54.72 1juh s GLU 280 Cb 0.11 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.51 1juh s GLU 280 CO 0.49 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.61 1juh n GLY 281 N 2.44 -1.81 2.67 -1.50 0.00 -1.26 -0.64 105.19 105.09 1juh n GLY 281 Ca -0.17 -1.88 -0.20 0.00 0.00 0.00 0.00 46.02 43.76 1juh n GLY 281 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1juh s ARG 282 N 0.00 -0.06 -0.10 1.61 0.52 -1.26 -4.29 118.95 115.38 1juh s ARG 282 Ca 0.00 0.37 0.03 0.00 -0.52 0.00 0.00 55.73 55.61 1juh s ARG 282 Cb 0.00 -0.52 0.01 0.00 0.52 0.00 0.00 34.95 34.96 1juh s ARG 282 CO 0.00 -0.33 -0.18 0.08 0.02 0.00 0.00 175.30 174.89 1juh s VAL 283 N 2.16 1.64 -0.10 3.52 1.01 -0.75 -0.63 120.40 127.25 1juh s VAL 283 Ca 0.05 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 1juh s VAL 283 Cb -0.12 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1juh s VAL 283 CO -0.03 0.47 0.34 -0.69 0.00 0.00 0.00 175.10 175.18 1juh s VAL 284 N 0.66 5.23 -0.01 2.92 1.01 0.25 -0.13 120.40 130.33 1juh s VAL 284 Ca -0.13 0.65 0.05 0.00 0.00 0.00 0.00 61.98 62.55 1juh s VAL 284 Cb -0.16 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1juh s VAL 284 CO 0.04 0.47 -0.17 0.54 0.00 0.00 0.00 175.10 175.98 1juh s VAL 285 N -0.17 1.32 -0.16 2.92 0.11 -0.06 -1.73 120.40 122.63 1juh s VAL 285 Ca 0.20 -0.74 -0.00 0.00 -2.93 0.00 0.00 61.98 58.50 1juh s VAL 285 Cb -0.14 -1.10 0.04 0.00 -1.53 0.00 0.00 36.38 33.64 1juh s VAL 285 CO 0.08 0.35 -0.06 -1.58 -3.33 0.00 0.00 175.10 170.56 1juh s GLN 286 N -0.46 1.45 -0.12 1.54 0.74 0.57 -1.53 119.66 121.86 1juh s GLN 286 Ca 0.06 -0.48 0.02 0.00 0.05 0.00 0.00 55.36 55.00 1juh s GLN 286 Cb -0.07 -1.95 0.02 0.00 1.10 0.00 0.00 33.01 32.11 1juh s GLN 286 CO -0.00 -0.41 -0.16 0.42 -0.55 0.00 0.00 175.29 174.58 1juh s ILE 287 N 1.64 1.60 0.00 -2.34 1.01 -1.26 -0.80 121.20 121.05 1juh s ILE 287 Ca 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1juh s ILE 287 Cb -0.15 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.86 1juh s ILE 287 CO -0.08 0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.93 1juh n GLY 288 N 4.27 2.53 2.63 6.18 0.00 -0.28 -2.67 105.19 117.86 1juh n GLY 288 Ca -0.19 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 1juh n GLY 288 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1juh n ASP 289 N 0.15 6.90 -4.33 1.61 2.03 -1.26 -4.92 116.55 116.73 1juh n ASP 289 Ca 0.00 -3.45 -0.23 0.00 0.52 0.00 0.00 54.79 51.62 1juh n ASP 289 Cb 0.00 -1.16 -0.12 0.00 -0.72 0.00 0.00 41.12 39.12 1juh n ASP 289 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1juh s TYR 290 N -2.65 1.90 0.51 -0.67 1.51 -1.09 -5.10 117.35 111.76 1juh s TYR 290 Ca 0.56 -0.43 -0.21 0.00 -1.01 0.00 0.00 57.07 55.97 1juh s TYR 290 Cb 0.40 -0.98 -0.06 0.00 -0.11 0.00 0.00 41.96 41.22 1juh s TYR 290 CO -0.29 0.32 1.19 0.00 -1.11 0.00 0.00 175.55 175.66 1juh s ALA 291 N -1.70 2.84 0.55 3.71 0.00 -1.26 -4.47 121.76 121.43 1juh s ALA 291 Ca 0.14 0.98 -0.21 0.00 0.00 0.00 0.00 51.96 52.86 1juh s ALA 291 Cb -0.07 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1juh s ALA 291 CO 0.06 -0.85 1.34 0.00 0.00 0.00 0.00 175.76 176.31 1juh s ALA 292 N -1.56 2.78 0.01 0.00 0.00 -1.26 -4.80 121.76 116.93 1juh s ALA 292 Ca 0.68 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.94 1juh s ALA 292 Cb -0.30 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.26 1juh s ALA 292 CO 0.35 -1.36 -0.02 0.99 0.00 0.00 0.00 175.76 175.72 1juh s THR 293 N -1.33 0.07 -0.20 0.00 2.01 -0.58 -4.96 115.64 110.65 1juh s THR 293 Ca 0.72 -0.46 -0.10 0.00 0.31 0.00 0.00 61.69 62.17 1juh s THR 293 Cb -0.39 -0.15 -0.05 0.00 0.01 0.00 0.00 72.50 71.92 1juh s THR 293 CO 0.46 -0.24 0.12 -0.70 -0.69 0.00 0.00 174.62 173.57 1juh s GLU 294 N -0.72 4.16 -0.00 4.92 2.12 -1.26 -0.88 118.70 127.04 1juh s GLU 294 Ca -0.08 -0.24 -0.00 0.00 0.36 0.00 0.00 54.97 55.01 1juh s GLU 294 Cb -0.05 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 1juh s GLU 294 CO -0.00 0.29 0.08 -0.51 -0.54 0.00 0.00 175.26 174.58 1juh s LEU 295 N 0.37 3.91 0.00 2.70 1.02 0.82 -4.93 118.68 122.57 1juh s LEU 295 Ca 0.07 0.15 0.00 0.00 0.02 0.00 0.00 54.13 54.38 1juh s LEU 295 Cb -0.11 -2.28 0.00 0.00 0.02 0.00 0.00 46.19 43.82 1juh s LEU 295 CO -0.02 0.27 0.00 0.61 0.02 0.00 0.00 176.35 177.24 1juh n GLY 296 N 1.18 5.41 3.69 -3.19 0.00 -1.26 -1.81 105.19 109.20 1juh n GLY 296 Ca -0.13 -2.12 -0.62 0.00 0.00 0.00 0.00 46.02 43.15 1juh n GLY 296 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1juh n SER 297 N -0.72 1.44 0.00 1.61 3.41 -1.26 -1.68 113.62 116.43 1juh n SER 297 Ca 0.00 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 1juh n SER 297 Cb 0.00 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 1juh n SER 297 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1juh n GLY 298 N 3.57 1.40 3.77 5.00 0.00 0.11 -4.53 105.19 114.51 1juh n GLY 298 Ca 0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 1juh n GLY 298 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1juh s ASP 299 N -3.05 6.44 -0.07 1.61 1.01 -0.67 -3.81 116.67 118.13 1juh s ASP 299 Ca 0.00 2.24 0.05 0.00 0.71 0.00 0.00 52.55 55.55 1juh s ASP 299 Cb 0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 1juh s ASP 299 CO 0.00 -0.72 -0.23 -0.69 0.21 0.00 0.00 175.17 173.74 1juh s VAL 300 N -1.54 2.21 -0.09 -1.27 1.01 -0.47 -1.30 120.40 118.95 1juh s VAL 300 Ca 0.60 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1juh s VAL 300 Cb -0.27 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 1juh s VAL 300 CO 0.34 0.57 -0.12 0.00 0.00 0.00 0.00 175.10 175.88 1juh s ALA 301 N -0.09 2.71 -0.11 5.51 0.00 -0.21 -1.02 121.76 128.54 1juh s ALA 301 Ca -0.05 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.02 1juh s ALA 301 Cb -0.14 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.85 1juh s ALA 301 CO 0.04 0.42 -0.23 0.12 0.00 0.00 0.00 175.76 176.12 1juh s PHE 302 N -0.27 2.54 -0.23 0.00 5.36 -0.02 -1.78 117.98 123.58 1juh s PHE 302 Ca 0.02 -1.12 0.01 0.00 -0.96 0.00 0.00 56.93 54.88 1juh s PHE 302 Cb -0.13 -1.71 0.04 0.00 -0.34 0.00 0.00 43.02 40.88 1juh s PHE 302 CO 0.03 -0.48 -0.13 0.42 -1.46 0.00 0.00 175.22 173.60 1juh s ILE 303 N 0.52 2.29 0.55 3.12 1.09 0.09 -2.62 121.20 126.24 1juh s ILE 303 Ca -0.15 -1.26 -0.21 0.00 -1.10 0.00 0.00 60.65 57.93 1juh s ILE 303 Cb -0.17 -2.18 -0.04 0.00 -1.06 0.00 0.00 42.46 39.01 1juh s ILE 303 CO 0.05 0.22 1.28 -2.84 -0.10 0.00 0.00 174.94 173.55 1juh s PRO 304 N 1.22 3.13 0.39 2.79 0.02 -1.26 -1.33 135.00 139.95 1juh s PRO 304 Ca -0.02 2.04 -0.27 0.00 0.02 0.00 0.00 61.00 62.77 1juh s PRO 304 Cb -0.17 -2.16 -0.11 0.00 0.02 0.00 0.00 34.50 32.09 1juh s PRO 304 CO -0.08 -1.14 1.44 0.41 -0.33 0.00 0.00 177.00 177.31 1juh n GLY 305 N 0.65 1.04 2.26 0.52 0.00 -1.26 -2.05 105.19 106.36 1juh n GLY 305 Ca 0.11 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1juh n GLY 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1juh n GLY 306 N 0.54 1.36 3.78 -0.02 0.00 0.15 -4.88 105.19 106.11 1juh n GLY 306 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1juh n GLY 306 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1juh s VAL 307 N -3.24 5.39 0.36 1.61 1.01 -0.87 -4.91 120.40 119.75 1juh s VAL 307 Ca 0.00 0.32 -0.26 0.00 0.00 0.00 0.00 61.98 62.04 1juh s VAL 307 Cb 0.00 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 1juh s VAL 307 CO 0.00 0.48 1.09 -1.61 0.00 0.00 0.00 175.10 175.06 1juh s GLU 308 N -0.08 4.31 0.11 2.72 2.02 -1.26 -4.55 118.70 121.97 1juh s GLU 308 Ca 0.13 1.67 -0.13 0.00 0.02 0.00 0.00 54.97 56.65 1juh s GLU 308 Cb -0.12 -2.79 0.02 0.00 0.10 0.00 0.00 34.13 31.34 1juh s GLU 308 CO 0.02 -0.05 0.32 -0.59 0.02 0.00 0.00 175.26 174.98 1juh s PHE 309 N -1.44 -0.08 0.03 1.61 -0.71 0.02 -1.12 117.98 116.29 1juh s PHE 309 Ca 0.53 -0.28 0.01 0.00 -1.04 0.00 0.00 56.93 56.16 1juh s PHE 309 Cb -0.27 0.14 -0.02 0.00 -1.21 0.00 0.00 43.02 41.66 1juh s PHE 309 CO 0.34 -0.64 -0.06 0.15 -1.34 0.00 0.00 175.22 173.67 1juh s LYS 310 N -3.79 0.43 0.04 1.99 1.02 0.02 -0.22 119.74 119.22 1juh s LYS 310 Ca 0.03 -0.65 -0.16 0.00 0.02 0.00 0.00 55.97 55.22 1juh s LYS 310 Cb 0.03 -0.14 0.03 0.00 -0.52 0.00 0.00 37.83 37.22 1juh s LYS 310 CO -0.11 0.02 0.36 1.52 -0.92 0.00 0.00 175.35 176.21 1juh s TYR 311 N -1.29 -0.19 0.10 3.18 1.13 -1.26 -0.31 117.35 118.70 1juh s TYR 311 Ca -0.11 0.12 -0.23 0.00 -1.41 0.00 0.00 57.07 55.45 1juh s TYR 311 Cb -0.09 0.16 0.06 0.00 -1.10 0.00 0.00 41.96 40.98 1juh s TYR 311 CO -0.00 -0.53 0.56 1.52 -2.51 0.00 0.00 175.55 174.58 1juh s TYR 312 N -2.41 -0.47 -0.17 -3.49 -0.85 -0.71 -4.88 117.35 104.38 1juh s TYR 312 Ca -0.06 0.40 -0.18 0.00 -0.52 0.00 0.00 57.07 56.71 1juh s TYR 312 Cb -0.01 0.43 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 1juh s TYR 312 CO -0.02 -0.74 0.50 0.45 -1.52 0.00 0.00 175.55 174.22 1juh s SER 313 N -2.34 6.61 0.02 -0.18 0.15 -1.26 -0.58 113.70 116.12 1juh s SER 313 Ca -0.02 0.73 0.07 0.00 0.70 0.00 0.00 55.95 57.44 1juh s SER 313 Cb -0.00 -2.29 -0.23 0.00 -1.71 0.00 0.00 66.02 61.78 1juh s SER 313 CO -0.07 -0.11 0.90 -0.08 1.20 0.00 0.00 173.24 175.09 1juh h GLU 314 N 7.16 0.05 -7.27 5.44 4.57 -1.23 -3.40 114.58 119.89 1juh h GLU 314 Ca -0.37 -0.09 -0.50 0.00 -1.18 0.00 0.00 59.36 57.23 1juh h GLU 314 Cb 1.16 0.03 0.06 0.00 -0.16 0.00 0.00 28.75 29.85 1juh h GLU 314 CO 0.75 0.80 0.38 0.00 -1.18 0.00 0.00 179.01 179.76 1juh s ALA 315 N -2.64 2.86 0.36 2.92 0.00 -1.06 -4.94 121.76 119.26 1juh s ALA 315 Ca -0.04 0.15 0.30 0.00 0.00 0.00 0.00 51.96 52.37 1juh s ALA 315 Cb 0.08 -3.16 1.48 0.00 0.00 0.00 0.00 23.12 21.53 1juh s ALA 315 CO 0.83 -0.80 2.06 1.88 0.00 0.00 0.00 175.76 179.72 1juh h TYR 316 N 0.01 0.00 -2.76 0.00 0.05 -1.90 -3.39 116.97 108.98 1juh h TYR 316 Ca -0.45 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.17 1juh h TYR 316 Cb 1.20 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 38.65 1juh h TYR 316 CO 0.62 0.10 -0.42 0.12 -1.05 0.00 0.00 178.16 177.54 1juh s PHE 317 N -4.04 -0.54 0.09 4.88 2.19 -1.26 -3.97 117.98 115.34 1juh s PHE 317 Ca -0.02 1.15 0.05 0.00 0.33 0.00 0.00 56.93 58.44 1juh s PHE 317 Cb 0.12 0.15 -0.03 0.00 -1.31 0.00 0.00 43.02 41.94 1juh s PHE 317 CO 0.56 -0.35 -0.14 -1.12 1.83 0.00 0.00 175.22 176.00 1juh s SER 318 N 1.92 1.81 -0.04 6.13 0.01 -0.79 -4.28 113.70 118.45 1juh s SER 318 Ca -0.05 -0.71 0.01 0.00 1.31 0.00 0.00 55.95 56.50 1juh s SER 318 Cb -0.11 -0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.09 1juh s SER 318 CO -0.11 -0.12 -0.02 -0.75 0.41 0.00 0.00 173.24 172.65 1juh s LYS 319 N -2.21 0.61 0.15 12.44 2.20 0.19 -0.14 119.74 132.98 1juh s LYS 319 Ca 0.03 -0.02 0.08 0.00 -0.36 0.00 0.00 55.97 55.71 1juh s LYS 319 Cb -0.07 -0.72 -0.04 0.00 -1.51 0.00 0.00 37.83 35.48 1juh s LYS 319 CO 0.02 -0.12 -0.18 0.14 -0.36 0.00 0.00 175.35 174.85 1juh s VAL 320 N 1.06 1.77 -0.23 4.02 -7.23 -0.25 -0.44 120.40 119.10 1juh s VAL 320 Ca -0.09 -1.86 -0.15 0.00 -1.81 0.00 0.00 61.98 58.08 1juh s VAL 320 Cb -0.14 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 1juh s VAL 320 CO -0.01 -0.29 0.35 -0.22 -0.31 0.00 0.00 175.10 174.62 1juh s LEU 321 N -2.56 4.11 -0.05 1.32 2.96 -0.15 -1.15 118.68 123.17 1juh s LEU 321 Ca 0.14 0.37 0.06 0.00 -0.22 0.00 0.00 54.13 54.49 1juh s LEU 321 Cb -0.06 -2.42 -0.01 0.00 0.50 0.00 0.00 46.19 44.20 1juh s LEU 321 CO 0.06 -0.09 -0.25 0.12 -1.32 0.00 0.00 176.35 174.87 1juh s PHE 322 N 1.53 2.42 0.00 5.38 5.36 0.10 -0.87 117.98 131.91 1juh s PHE 322 Ca 0.16 -0.66 0.03 0.00 -0.96 0.00 0.00 56.93 55.50 1juh s PHE 322 Cb -0.15 -1.58 -0.01 0.00 -0.34 0.00 0.00 43.02 40.94 1juh s PHE 322 CO 0.08 -0.18 -0.10 0.54 -1.46 0.00 0.00 175.22 174.10 1juh s VAL 323 N -0.27 0.81 -0.03 3.12 0.11 -0.40 -1.39 120.40 122.36 1juh s VAL 323 Ca -0.01 -0.57 -0.02 0.00 -2.93 0.00 0.00 61.98 58.46 1juh s VAL 323 Cb -0.13 -0.71 0.02 0.00 -1.53 0.00 0.00 36.38 34.03 1juh s VAL 323 CO 0.03 0.14 0.07 -0.55 -3.33 0.00 0.00 175.10 171.46 1juh s SER 324 N -0.49 -0.05 -0.01 3.54 0.15 -0.45 -1.33 113.70 115.07 1juh s SER 324 Ca 0.02 0.15 -0.27 0.00 0.70 0.00 0.00 55.95 56.55 1juh s SER 324 Cb -0.05 0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 1juh s SER 324 CO -0.00 -0.07 0.83 -0.55 1.20 0.00 0.00 173.24 174.65 1juh s SER 325 N 0.50 7.21 0.00 5.45 0.15 -0.04 -1.15 113.70 125.81 1juh s SER 325 Ca -0.04 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.07 1juh s SER 325 Cb -0.05 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1juh s SER 325 CO -0.02 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1juh n GLY 326 N 2.83 2.00 0.07 9.45 0.00 -0.12 -3.90 105.19 115.52 1juh n GLY 326 Ca 0.01 -2.12 0.11 0.00 0.00 0.00 0.00 46.02 44.03 1juh n GLY 326 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1juh n SER 327 N 0.00 0.59 -2.65 1.61 3.41 -1.26 -3.38 113.62 111.94 1juh n SER 327 Ca 0.00 0.09 -0.19 0.00 -0.26 0.00 0.00 58.87 58.51 1juh n SER 327 Cb 0.00 0.87 0.01 0.00 -0.26 0.00 0.00 64.21 64.82 1juh n SER 327 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1juh n ASP 328 N -2.34 3.07 -2.54 4.04 9.92 -1.26 -4.87 116.55 122.56 1juh n ASP 328 Ca -0.00 -3.25 0.00 0.00 -0.53 0.00 0.00 54.79 51.00 1juh n ASP 328 Cb 0.51 -0.51 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 1juh n ASP 328 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1juh n GLY 329 N -0.23 -1.01 0.23 0.44 0.00 -1.26 -4.62 105.19 98.74 1juh n GLY 329 Ca 0.25 -1.64 -0.07 0.00 0.00 0.00 0.00 46.02 44.56 1juh n GLY 329 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1juh h LEU 330 N 0.00 -0.59 -0.49 0.99 5.85 -1.97 -0.95 115.31 118.14 1juh h LEU 330 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1juh h LEU 330 Cb 0.00 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1juh h LEU 330 CO 0.00 -0.22 0.31 -2.24 -0.34 0.00 0.00 178.44 175.95 1juh h ASP 331 N -0.16 0.58 -0.50 1.25 2.03 -1.98 -0.39 116.42 117.26 1juh h ASP 331 Ca 0.15 -0.04 -0.06 0.00 -0.73 0.00 0.00 57.03 56.35 1juh h ASP 331 Cb 0.38 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 38.71 1juh h ASP 331 CO -0.36 0.45 0.12 -0.61 -1.03 0.00 0.00 179.24 177.80 1juh h GLN 332 N 0.66 0.86 -0.32 4.15 5.75 -1.82 -1.33 115.11 123.07 1juh h GLN 332 Ca 0.18 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1juh h GLN 332 Cb -0.04 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.38 1juh h GLN 332 CO -0.04 0.79 0.17 -0.97 -2.65 0.00 0.00 178.83 176.13 1juh h ASN 333 N 0.82 0.40 -0.41 -0.69 -0.73 -0.60 -0.49 115.58 113.88 1juh h ASN 333 Ca 0.18 -0.09 -0.08 0.00 1.87 0.00 0.00 56.30 58.18 1juh h ASN 333 Cb 0.33 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.80 1juh h ASN 333 CO 0.00 0.37 -0.04 -0.07 -0.37 0.00 0.00 177.43 177.33 1juh h LEU 334 N 0.39 0.81 -0.17 0.34 3.38 -0.76 -1.84 115.31 117.45 1juh h LEU 334 Ca 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1juh h LEU 334 Cb 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1juh h LEU 334 CO -0.02 0.89 0.06 0.58 0.09 0.00 0.00 178.44 180.05 1juh h VAL 335 N 0.77 1.16 -0.51 1.22 2.07 -0.96 -2.04 116.25 117.97 1juh h VAL 335 Ca 0.14 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1juh h VAL 335 Cb 0.51 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1juh h VAL 335 CO 0.03 0.16 0.28 0.78 0.02 0.00 0.00 177.57 178.84 1juh h ASN 336 N 0.11 0.61 -0.24 0.57 2.35 -0.92 -1.68 115.58 116.38 1juh h ASN 336 Ca 0.06 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1juh h ASN 336 Cb 0.19 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1juh h ASN 336 CO -0.00 0.49 0.00 0.61 -1.65 0.00 0.00 177.43 176.88 1juh n GLY 337 N -1.32 0.39 0.00 2.83 0.00 -0.71 -4.92 105.19 101.47 1juh n GLY 337 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1juh n GLY 337 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1juh n GLY 338 N 1.08 6.39 3.09 -0.02 0.00 -0.63 -4.70 105.19 110.39 1juh n GLY 338 Ca 0.14 -1.91 -0.07 0.00 0.00 0.00 0.00 46.02 44.17 1juh n GLY 338 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1juh s GLU 339 N 1.52 0.60 0.48 1.61 -1.05 -0.18 -4.96 118.70 116.73 1juh s GLU 339 Ca 0.00 -1.18 -0.24 0.00 -0.15 0.00 0.00 54.97 53.40 1juh s GLU 339 Cb 0.00 0.17 -0.07 0.00 -0.44 0.00 0.00 34.13 33.79 1juh s GLU 339 CO 0.00 -0.10 1.40 0.39 0.95 0.00 0.00 175.26 177.90 1juh n GLU 340 N 0.21 2.06 -3.85 -4.83 1.02 -1.26 -0.35 120.64 113.64 1juh n GLU 340 Ca -0.15 0.74 -0.12 0.00 -0.02 0.00 0.00 57.16 57.62 1juh n GLU 340 Cb 0.61 -2.60 -0.12 0.00 -0.02 0.00 0.00 31.44 29.31 1juh n GLU 340 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1juh s TRP 341 N -1.22 -0.06 -0.20 -0.32 -0.11 -0.57 -4.64 118.94 111.81 1juh s TRP 341 Ca 0.64 0.15 0.15 0.00 1.22 0.00 0.00 56.10 58.26 1juh s TRP 341 Cb -0.44 0.00 0.47 0.00 -1.50 0.00 0.00 33.47 32.00 1juh s TRP 341 CO 0.55 -0.12 1.37 -1.13 -4.62 0.00 0.00 176.95 173.01 1juh n SER 342 N 2.59 3.09 -4.07 5.86 3.41 -1.26 -3.88 113.62 119.36 1juh n SER 342 Ca -0.15 -3.29 -0.11 0.00 -0.26 0.00 0.00 58.87 55.06 1juh n SER 342 Cb 0.58 -0.55 -0.11 0.00 -0.26 0.00 0.00 64.21 63.87 1juh n SER 342 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1juh s SER 343 N -2.35 0.76 0.02 4.04 0.15 -1.26 -5.02 113.70 110.04 1juh s SER 343 Ca 0.41 -0.66 0.28 0.00 0.70 0.00 0.00 55.95 56.68 1juh s SER 343 Cb 0.35 0.07 1.02 0.00 -1.71 0.00 0.00 66.02 65.75 1juh s SER 343 CO 0.04 -0.30 1.79 1.33 1.20 0.00 0.00 173.24 177.30 1juh n VAL 344 N 1.11 0.05 -4.08 4.45 0.24 -1.26 -4.80 118.33 114.03 1juh n VAL 344 Ca -0.20 -0.02 -0.32 0.00 -2.04 0.00 0.00 64.34 61.75 1juh n VAL 344 Cb 0.56 -0.32 -0.07 0.00 -1.47 0.00 0.00 33.84 32.54 1juh n VAL 344 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1juh s SER 345 N -3.12 5.68 0.60 -1.34 0.01 -1.26 -5.03 113.70 109.24 1juh s SER 345 Ca 0.13 0.11 -0.00 0.00 1.31 0.00 0.00 55.95 57.50 1juh s SER 345 Cb 0.18 -1.61 0.05 0.00 0.21 0.00 0.00 66.02 64.86 1juh s SER 345 CO 0.58 0.24 0.85 0.72 0.41 0.00 0.00 173.24 176.04 1juh s PHE 346 N -1.26 2.62 0.62 2.43 -0.12 -1.26 -5.04 117.98 115.97 1juh s PHE 346 Ca 0.25 -0.01 -0.18 0.00 -0.05 0.00 0.00 56.93 56.94 1juh s PHE 346 Cb -0.12 -2.85 -0.04 0.00 -0.63 0.00 0.00 43.02 39.38 1juh s PHE 346 CO 0.17 -1.10 1.04 -2.30 -0.05 0.00 0.00 175.22 172.98 1juh n PRO 347 N -2.51 0.91 0.10 1.99 -0.02 -1.26 -4.91 135.00 129.31 1juh n PRO 347 Ca 0.09 0.36 0.13 0.00 -2.02 0.00 0.00 63.50 62.06 1juh n PRO 347 Cb 0.60 -2.26 0.44 0.00 -0.02 0.00 0.00 33.50 32.26 1juh n PRO 347 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1juh n ALA 348 N -1.85 2.12 -2.51 3.55 0.00 -1.26 -4.80 120.51 115.77 1juh n ALA 348 Ca 0.15 -0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.35 1juh n ALA 348 Cb 0.48 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.36 1juh n ALA 348 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1juh s ASP 349 N -4.36 2.63 0.00 0.00 1.01 -1.26 -5.30 116.67 109.40 1juh s ASP 349 Ca 0.09 -0.74 0.30 0.00 0.71 0.00 0.00 52.55 52.90 1juh s ASP 349 Cb 0.12 -0.15 1.76 0.00 1.01 0.00 0.00 42.92 45.66 1juh s ASP 349 CO 0.54 0.04 2.09 0.79 0.21 0.00 0.00 175.17 178.84