#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snr s THR 5 N 0.00 3.14 0.27 0.00 -4.23 -1.26 -4.87 115.64 108.68 1snr s THR 5 Ca 0.00 0.34 -0.01 0.00 -1.18 0.00 0.00 61.69 60.84 1snr s THR 5 Cb 0.00 -3.36 0.25 0.00 1.34 0.00 0.00 72.50 70.73 1snr s THR 5 CO 0.00 -0.47 1.82 0.00 -0.54 0.00 0.00 174.62 175.43 1snr h ALA 6 N -0.73 1.37 -0.57 3.99 0.00 -2.05 -1.44 119.26 119.83 1snr h ALA 6 Ca -0.45 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 1snr h ALA 6 Cb 1.27 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1snr h ALA 6 CO 0.64 0.17 -0.04 0.00 0.00 0.00 0.00 179.25 180.03 1snr h ALA 7 N 1.50 0.78 -0.50 0.00 0.00 -1.99 -1.37 119.26 117.68 1snr h ALA 7 Ca 0.46 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1snr h ALA 7 Cb 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1snr h ALA 7 CO -0.26 0.64 0.14 0.93 0.00 0.00 0.00 179.25 180.70 1snr h GLU 8 N 0.92 0.79 -0.56 0.00 5.08 -1.79 -2.29 114.58 116.74 1snr h GLU 8 Ca 0.16 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1snr h GLU 8 Cb 0.60 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1snr h GLU 8 CO 0.04 0.75 0.08 0.82 -1.00 0.00 0.00 179.01 179.70 1snr h ILE 9 N 0.69 1.26 -0.16 3.13 2.04 -1.13 -2.36 117.51 120.98 1snr h ILE 9 Ca 0.16 -0.98 0.04 0.00 1.00 0.00 0.00 64.86 65.08 1snr h ILE 9 Cb 0.30 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1snr h ILE 9 CO -0.00 0.36 0.11 0.00 0.00 0.00 0.00 178.15 178.62 1snr h ALA 10 N 0.99 2.13 0.00 1.87 0.00 -1.09 -2.18 119.26 120.98 1snr h ALA 10 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1snr h ALA 10 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1snr h ALA 10 CO 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 179.25 179.09 1snr n ALA 11 N -2.57 2.31 -1.76 0.00 0.00 -0.88 -4.90 120.51 112.73 1snr n ALA 11 Ca 0.01 -0.07 -0.35 0.00 0.00 0.00 0.00 53.44 53.03 1snr n ALA 11 Cb 0.23 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1snr n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1snr s LEU 12 N -3.66 3.73 0.54 0.00 1.43 -0.82 -4.99 118.68 114.91 1snr s LEU 12 Ca 0.13 2.14 -0.21 0.00 -1.03 0.00 0.00 54.13 55.15 1snr s LEU 12 Cb 0.16 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.75 1snr s LEU 12 CO 0.56 -1.20 1.28 -2.84 0.23 0.00 0.00 176.35 174.38 1snr s PRO 13 N -3.35 3.24 -0.07 1.29 0.02 -1.26 -4.78 135.00 130.09 1snr s PRO 13 Ca 0.72 2.04 -0.01 0.00 0.02 0.00 0.00 61.00 63.77 1snr s PRO 13 Cb -0.23 -2.22 -0.03 0.00 0.02 0.00 0.00 34.50 32.04 1snr s PRO 13 CO 0.27 -1.05 -0.01 1.03 -0.33 0.00 0.00 177.00 176.91 1snr s ARG 14 N -2.94 2.92 -0.09 5.54 3.00 -1.26 -1.08 118.95 125.03 1snr s ARG 14 Ca 0.71 -0.46 -0.01 0.00 0.00 0.00 0.00 55.73 55.97 1snr s ARG 14 Cb -0.36 -2.74 0.03 0.00 0.00 0.00 0.00 34.95 31.88 1snr s ARG 14 CO 0.42 0.69 -0.04 -1.14 0.00 0.00 0.00 175.30 175.22 1snr s GLN 15 N -0.99 1.05 -0.12 3.54 0.74 -0.52 -4.96 119.66 118.40 1snr s GLN 15 Ca 0.14 -0.07 -0.22 0.00 0.05 0.00 0.00 55.36 55.26 1snr s GLN 15 Cb -0.11 -1.26 -0.03 0.00 1.10 0.00 0.00 33.01 32.71 1snr s GLN 15 CO 0.04 -0.28 0.65 0.21 -0.55 0.00 0.00 175.29 175.36 1snr s LYS 16 N 1.80 4.34 -0.08 1.67 2.47 -1.26 -0.24 119.74 128.44 1snr s LYS 16 Ca 0.04 0.73 0.02 0.00 -1.56 0.00 0.00 55.97 55.20 1snr s LYS 16 Cb -0.12 -3.49 -0.02 0.00 -1.46 0.00 0.00 37.83 32.73 1snr s LYS 16 CO -0.06 -0.04 -0.12 0.08 0.16 0.00 0.00 175.35 175.37 1snr s VAL 17 N 1.19 3.21 -0.27 4.02 1.01 -0.38 -4.93 120.40 124.25 1snr s VAL 17 Ca 0.33 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 1snr s VAL 17 Cb -0.17 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1snr s VAL 17 CO 0.14 0.57 0.49 -1.61 0.00 0.00 0.00 175.10 174.69 1snr s GLU 18 N -0.40 4.00 0.58 2.72 8.01 -1.26 -4.64 118.70 127.72 1snr s GLU 18 Ca 0.05 0.21 -0.16 0.00 0.01 0.00 0.00 54.97 55.07 1snr s GLU 18 Cb -0.12 -3.67 -0.04 0.00 -4.31 0.00 0.00 34.13 25.98 1snr s GLU 18 CO 0.02 -0.38 1.06 -0.51 0.01 0.00 0.00 175.26 175.47 1snr s LEU 19 N 2.28 3.55 0.26 1.80 1.43 -1.26 -4.78 118.68 121.95 1snr s LEU 19 Ca 0.20 1.87 0.10 0.00 -1.03 0.00 0.00 54.13 55.26 1snr s LEU 19 Cb -0.16 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.47 1snr s LEU 19 CO 0.10 -1.15 -0.16 0.68 0.23 0.00 0.00 176.35 176.05 1snr s VAL 20 N -2.34 2.12 0.17 -1.59 -7.23 -1.26 -4.99 120.40 105.28 1snr s VAL 20 Ca 0.65 -2.29 -0.30 0.00 -1.81 0.00 0.00 61.98 58.23 1snr s VAL 20 Cb -0.17 -2.27 -0.07 0.00 0.56 0.00 0.00 36.38 34.43 1snr s VAL 20 CO 0.34 -0.43 1.05 -1.81 -0.31 0.00 0.00 175.10 173.94 1snr s ASP 21 N -3.45 7.37 0.61 4.85 -0.00 -1.26 -4.61 116.67 120.18 1snr s ASP 21 Ca 0.28 2.01 -0.18 0.00 -0.00 0.00 0.00 52.55 54.66 1snr s ASP 21 Cb -0.02 -2.60 -0.05 0.00 -0.00 0.00 0.00 42.92 40.25 1snr s ASP 21 CO 0.12 -0.13 0.95 -2.65 -0.00 0.00 0.00 175.17 173.46 1snr n PRO 22 N 2.30 0.84 -0.10 8.23 -0.02 -1.26 -1.98 135.00 143.01 1snr n PRO 22 Ca 0.02 0.33 0.08 0.00 -2.02 0.00 0.00 63.50 61.91 1snr n PRO 22 Cb 0.47 -2.16 0.29 0.00 -0.02 0.00 0.00 33.50 32.08 1snr n PRO 22 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1snr n PRO 23 N -1.06 1.63 -1.66 0.52 -0.04 -1.26 -5.05 135.00 128.08 1snr n PRO 23 Ca 0.14 -0.96 -0.30 0.00 -0.04 0.00 0.00 63.50 62.34 1snr n PRO 23 Cb 0.48 -1.31 0.07 0.00 -0.04 0.00 0.00 33.50 32.69 1snr n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1snr s PHE 24 N -1.74 3.06 -0.03 0.54 0.40 -0.84 -0.74 117.98 118.64 1snr s PHE 24 Ca 0.26 1.18 0.03 0.00 -0.60 0.00 0.00 56.93 57.81 1snr s PHE 24 Cb 0.14 -3.04 0.00 0.00 0.51 0.00 0.00 43.02 40.63 1snr s PHE 24 CO 0.20 -1.46 -0.10 0.08 0.70 0.00 0.00 175.22 174.64 1snr s VAL 25 N -3.19 0.88 0.78 -0.44 1.01 -1.26 -4.62 120.40 113.56 1snr s VAL 25 Ca 0.59 -0.43 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 1snr s VAL 25 Cb -0.13 -0.77 0.06 0.00 0.00 0.00 0.00 36.38 35.54 1snr s VAL 25 CO 0.54 0.27 1.23 0.00 0.00 0.00 0.00 175.10 177.13 1snr n HIS 26 N 3.19 1.43 -1.75 5.22 1.44 -1.26 -4.90 115.22 118.60 1snr n HIS 26 Ca -0.17 0.41 -0.42 0.00 -2.01 0.00 0.00 57.72 55.53 1snr n HIS 26 Cb 0.54 -2.14 -0.00 0.00 0.12 0.00 0.00 29.99 28.51 1snr n HIS 26 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1snr n ALA 27 N -3.02 2.13 -3.80 1.59 0.00 -1.26 -4.99 120.51 111.15 1snr n ALA 27 Ca 0.14 0.35 -0.08 0.00 0.00 0.00 0.00 53.44 53.86 1snr n ALA 27 Cb 0.50 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.54 1snr n ALA 27 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1snr s HIS 28 N -0.98 -0.21 -0.08 0.00 -3.43 -1.26 -5.06 115.29 104.26 1snr s HIS 28 Ca 0.55 -0.22 -0.01 0.00 -0.80 0.00 0.00 55.06 54.58 1snr s HIS 28 Cb -0.50 0.69 -0.03 0.00 -1.43 0.00 0.00 32.58 31.30 1snr s HIS 28 CO 0.62 -1.20 -0.03 -1.54 -2.00 0.00 0.00 174.74 170.59 1snr s SER 29 N -2.90 4.98 -0.00 7.38 1.04 -1.26 -5.03 113.70 117.90 1snr s SER 29 Ca 0.10 0.06 -0.25 0.00 0.48 0.00 0.00 55.95 56.34 1snr s SER 29 Cb -0.05 -1.37 -0.19 0.00 0.10 0.00 0.00 66.02 64.50 1snr s SER 29 CO 0.05 0.36 1.32 1.56 0.98 0.00 0.00 173.24 177.51 1snr h GLN 30 N 5.29 -0.05 -6.22 4.02 4.20 -1.97 -3.41 115.11 116.97 1snr h GLN 30 Ca -0.49 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 57.67 1snr h GLN 30 Cb 1.18 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.93 1snr h GLN 30 CO 0.54 0.35 0.10 0.08 -0.67 0.00 0.00 178.83 179.24 1snr s VAL 31 N -4.55 4.80 0.42 -0.54 1.01 -1.26 -3.43 120.40 116.85 1snr s VAL 31 Ca -0.15 1.51 -0.26 0.00 0.00 0.00 0.00 61.98 63.07 1snr s VAL 31 Cb 0.02 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 1snr s VAL 31 CO 0.65 0.38 1.46 0.00 0.00 0.00 0.00 175.10 177.59 1snr s ALA 32 N -0.06 3.39 -0.41 5.51 0.00 0.30 -4.94 121.76 125.54 1snr s ALA 32 Ca 0.36 1.52 -0.14 0.00 0.00 0.00 0.00 51.96 53.70 1snr s ALA 32 Cb -0.20 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 19.35 1snr s ALA 32 CO 0.21 -1.15 0.29 -1.21 0.00 0.00 0.00 175.76 173.91 1snr s GLU 33 N -2.30 2.95 1.43 0.00 2.02 -1.26 -4.98 118.70 116.55 1snr s GLU 33 Ca 0.57 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 54.51 1snr s GLU 33 Cb -0.45 -3.96 0.00 0.00 0.10 0.00 0.00 34.13 29.82 1snr s GLU 33 CO 0.60 -0.76 0.00 0.41 0.02 0.00 0.00 175.26 175.52 1snr n GLY 34 N 5.14 -1.81 2.30 -1.39 0.00 -1.26 -4.95 105.19 103.21 1snr n GLY 34 Ca -0.11 -1.37 -0.16 0.00 0.00 0.00 0.00 46.02 44.38 1snr n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1snr n GLY 35 N 0.00 -0.79 3.64 -0.02 0.00 -1.26 -5.01 105.19 101.76 1snr n GLY 35 Ca 0.00 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 1snr n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1snr n PRO 36 N -2.51 1.65 -4.29 1.61 -0.02 -1.26 -5.02 135.00 125.15 1snr n PRO 36 Ca 0.10 0.58 -0.16 0.00 -2.02 0.00 0.00 63.50 62.00 1snr n PRO 36 Cb 0.35 -2.11 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 1snr n PRO 36 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1snr s LYS 37 N -1.88 1.22 -0.45 -0.52 -2.85 -1.26 -4.41 119.74 109.60 1snr s LYS 37 Ca 0.59 -1.59 -0.17 0.00 -1.00 0.00 0.00 55.97 53.80 1snr s LYS 37 Cb -0.59 -0.59 0.04 0.00 -2.06 0.00 0.00 37.83 34.62 1snr s LYS 37 CO 0.59 -0.04 0.48 0.08 0.10 0.00 0.00 175.35 176.56 1snr s VAL 38 N -3.40 5.06 -0.24 1.79 1.01 -0.24 -1.16 120.40 123.20 1snr s VAL 38 Ca 0.24 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 1snr s VAL 38 Cb 0.05 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1snr s VAL 38 CO 0.05 -0.53 0.39 -0.69 0.00 0.00 0.00 175.10 174.32 1snr s VAL 39 N 2.19 5.18 -0.20 2.92 1.01 0.27 -1.43 120.40 130.33 1snr s VAL 39 Ca 0.12 0.63 -0.06 0.00 0.00 0.00 0.00 61.98 62.66 1snr s VAL 39 Cb -0.18 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1snr s VAL 39 CO 0.12 0.19 0.04 -1.61 0.00 0.00 0.00 175.10 173.84 1snr s GLU 40 N 1.79 3.79 0.13 2.72 2.02 0.66 -0.75 118.70 129.07 1snr s GLU 40 Ca 0.17 -0.43 0.09 0.00 0.02 0.00 0.00 54.97 54.81 1snr s GLU 40 Cb -0.15 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 1snr s GLU 40 CO 0.09 0.10 -0.20 -0.06 0.02 0.00 0.00 175.26 175.21 1snr s PHE 41 N 0.81 1.83 -0.04 1.61 0.40 -0.42 -1.24 117.98 120.93 1snr s PHE 41 Ca 0.02 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 55.95 1snr s PHE 41 Cb -0.14 -0.97 0.00 0.00 0.51 0.00 0.00 43.02 42.43 1snr s PHE 41 CO 0.02 0.27 -0.12 0.99 0.70 0.00 0.00 175.22 177.08 1snr s THR 42 N -1.53 1.03 -0.02 0.64 2.01 -1.26 -0.70 115.64 115.82 1snr s THR 42 Ca 0.11 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1snr s THR 42 Cb -0.08 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1snr s THR 42 CO 0.05 0.32 -0.06 -0.04 -0.69 0.00 0.00 174.62 174.20 1snr s MET 43 N 0.30 0.65 -0.16 4.92 -1.94 -0.29 -4.90 119.30 117.87 1snr s MET 43 Ca -0.06 -0.20 -0.07 0.00 -1.71 0.00 0.00 55.69 53.64 1snr s MET 43 Cb -0.11 -0.64 -0.04 0.00 2.01 0.00 0.00 34.83 36.05 1snr s MET 43 CO 0.02 0.08 0.07 0.08 -0.01 0.00 0.00 175.02 175.25 1snr s VAL 44 N 0.18 4.85 -0.02 -6.03 1.01 -1.26 -1.41 120.40 117.72 1snr s VAL 44 Ca -0.02 -0.02 -0.24 0.00 0.00 0.00 0.00 61.98 61.70 1snr s VAL 44 Cb -0.07 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1snr s VAL 44 CO -0.00 0.50 0.73 -0.63 0.00 0.00 0.00 175.10 175.69 1snr s ILE 45 N 0.05 4.91 -0.17 2.22 1.01 -0.35 -0.74 121.20 128.14 1snr s ILE 45 Ca 0.06 1.52 0.01 0.00 0.00 0.00 0.00 60.65 62.23 1snr s ILE 45 Cb -0.12 -4.07 0.03 0.00 0.01 0.00 0.00 42.46 38.31 1snr s ILE 45 CO 0.01 0.31 -0.13 -1.61 0.00 0.00 0.00 174.94 173.51 1snr s GLU 46 N 0.39 2.22 -0.23 2.79 0.41 -0.29 -4.36 118.70 119.63 1snr s GLU 46 Ca 0.38 -0.66 -0.29 0.00 -0.41 0.00 0.00 54.97 53.99 1snr s GLU 46 Cb -0.19 -2.22 0.01 0.00 -1.78 0.00 0.00 34.13 29.95 1snr s GLU 46 CO 0.20 -0.30 1.10 -1.21 -0.49 0.00 0.00 175.26 174.56 1snr s GLU 47 N 1.45 4.21 -0.09 1.61 2.02 -1.26 -1.07 118.70 125.57 1snr s GLU 47 Ca 0.03 1.37 -0.19 0.00 0.02 0.00 0.00 54.97 56.20 1snr s GLU 47 Cb -0.14 -3.69 0.04 0.00 0.10 0.00 0.00 34.13 30.44 1snr s GLU 47 CO -0.10 -0.71 0.45 -1.59 0.02 0.00 0.00 175.26 173.33 1snr s LYS 48 N 3.38 0.69 0.08 1.61 -2.85 -0.52 -4.98 119.74 117.15 1snr s LYS 48 Ca 0.47 0.24 -0.30 0.00 -1.00 0.00 0.00 55.97 55.38 1snr s LYS 48 Cb -0.16 0.32 -0.05 0.00 -2.06 0.00 0.00 37.83 35.88 1snr s LYS 48 CO 0.10 -0.16 1.08 0.15 0.10 0.00 0.00 175.35 176.62 1snr s LYS 49 N -0.66 4.54 0.15 1.78 1.02 -1.26 -0.47 119.74 124.84 1snr s LYS 49 Ca -0.08 1.62 0.08 0.00 0.02 0.00 0.00 55.97 57.61 1snr s LYS 49 Cb -0.03 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 1snr s LYS 49 CO 0.04 -0.06 -0.17 0.96 -0.92 0.00 0.00 175.35 175.19 1snr s ILE 50 N 0.61 1.69 -0.16 2.17 -4.36 -0.27 -4.92 121.20 115.96 1snr s ILE 50 Ca 0.53 -1.83 -0.06 0.00 -0.26 0.00 0.00 60.65 59.03 1snr s ILE 50 Cb -0.26 -1.74 -0.04 0.00 1.25 0.00 0.00 42.46 41.67 1snr s ILE 50 CO 0.30 -0.31 0.02 -0.69 0.24 0.00 0.00 174.94 174.50 1snr s VAL 51 N -1.98 4.42 -1.08 8.37 1.01 -1.26 -1.13 120.40 128.74 1snr s VAL 51 Ca 0.13 -0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.04 1snr s VAL 51 Cb -0.06 -2.96 0.05 0.00 0.00 0.00 0.00 36.38 33.41 1snr s VAL 51 CO 0.05 0.49 0.73 2.30 0.00 0.00 0.00 175.10 178.68 1snr n ILE 52 N 3.38 0.00 -3.95 2.22 -5.35 -0.18 -4.81 119.36 110.67 1snr n ILE 52 Ca -0.17 -0.46 -0.09 0.00 -0.27 0.00 0.00 62.75 61.75 1snr n ILE 52 Cb 0.52 1.17 -0.03 0.00 -1.74 0.00 0.00 39.64 39.56 1snr n ILE 52 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1snr s ASP 53 N -1.00 0.06 0.48 7.28 3.84 -1.26 -0.80 116.67 125.27 1snr s ASP 53 Ca 0.10 -0.99 0.30 0.00 -0.00 0.00 0.00 52.55 51.96 1snr s ASP 53 Cb 0.08 0.68 1.09 0.00 -1.38 0.00 0.00 42.92 43.39 1snr s ASP 53 CO 0.17 -1.32 1.87 0.44 -0.00 0.00 0.00 175.17 176.32 1snr h ASP 54 N 2.12 0.00 1.14 2.11 5.19 -1.96 -2.41 116.42 122.62 1snr h ASP 54 Ca -0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1snr h ASP 54 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1snr h ASP 54 CO 0.34 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.46 1snr h ALA 55 N 2.05 1.00 0.00 3.45 0.00 -2.02 -3.47 119.26 120.28 1snr h ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1snr h ALA 55 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1snr h ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1snr n GLY 56 N 0.33 0.96 3.74 0.00 0.00 -0.91 -5.06 105.19 104.25 1snr n GLY 56 Ca 0.02 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1snr n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1snr s THR 57 N -2.00 2.01 0.06 2.61 2.01 -1.26 -4.84 115.64 114.22 1snr s THR 57 Ca 0.00 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.03 1snr s THR 57 Cb 0.00 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 1snr s THR 57 CO 0.00 0.00 0.06 -1.61 -0.69 0.00 0.00 174.62 172.39 1snr s GLU 58 N 0.08 2.88 0.00 4.92 2.02 -1.26 -1.02 118.70 126.33 1snr s GLU 58 Ca 0.68 -0.65 0.05 0.00 0.02 0.00 0.00 54.97 55.06 1snr s GLU 58 Cb -0.49 -2.73 -0.01 0.00 0.10 0.00 0.00 34.13 30.99 1snr s GLU 58 CO 0.43 0.59 -0.16 0.08 0.02 0.00 0.00 175.26 176.22 1snr s VAL 59 N -1.31 1.24 -0.94 2.63 1.01 -0.29 -4.95 120.40 117.79 1snr s VAL 59 Ca 0.27 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 1snr s VAL 59 Cb -0.12 -1.06 0.09 0.00 0.00 0.00 0.00 36.38 35.29 1snr s VAL 59 CO 0.19 0.27 1.26 -1.00 0.00 0.00 0.00 175.10 175.81 1snr s HIS 60 N -0.50 2.81 0.51 5.22 3.76 -1.26 -1.12 115.29 124.72 1snr s HIS 60 Ca 0.05 -1.05 -0.18 0.00 -0.15 0.00 0.00 55.06 53.73 1snr s HIS 60 Cb -0.07 -4.47 -0.07 0.00 1.11 0.00 0.00 32.58 29.08 1snr s HIS 60 CO -0.00 -1.71 1.02 0.00 -0.85 0.00 0.00 174.74 173.20 1snr s ALA 61 N 3.86 2.89 -0.30 -1.40 0.00 0.38 -4.87 121.76 122.32 1snr s ALA 61 Ca 0.38 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.81 1snr s ALA 61 Cb -0.04 -3.21 0.08 0.00 0.00 0.00 0.00 23.12 19.95 1snr s ALA 61 CO -0.07 -0.38 -0.02 -1.64 0.00 0.00 0.00 175.76 173.64 1snr s MET 62 N -3.62 1.79 -0.21 0.00 -1.94 -0.41 -1.44 119.30 113.48 1snr s MET 62 Ca 0.64 -1.56 0.01 0.00 -1.71 0.00 0.00 55.69 53.07 1snr s MET 62 Cb -0.14 -2.99 0.05 0.00 2.01 0.00 0.00 34.83 33.76 1snr s MET 62 CO 0.26 -0.76 -0.09 0.00 -0.01 0.00 0.00 175.02 174.42 1snr s ALA 63 N 1.05 2.02 0.12 3.03 0.00 -0.23 -2.24 121.76 125.50 1snr s ALA 63 Ca 0.01 -1.27 -0.31 0.00 0.00 0.00 0.00 51.96 50.39 1snr s ALA 63 Cb -0.19 -1.33 -0.10 0.00 0.00 0.00 0.00 23.12 21.49 1snr s ALA 63 CO -0.07 -0.93 1.79 -0.06 0.00 0.00 0.00 175.76 176.49 1snr s PHE 64 N 1.38 2.26 -1.71 0.00 0.08 -1.25 -1.14 117.98 117.59 1snr s PHE 64 Ca -0.03 0.07 0.00 0.00 0.12 0.00 0.00 56.93 57.09 1snr s PHE 64 Cb -0.17 -4.14 0.00 0.00 -0.57 0.00 0.00 43.02 38.14 1snr s PHE 64 CO -0.07 -4.63 0.00 -1.71 -0.10 0.00 0.00 175.22 168.70 1snr n ASN 65 N 5.51 -5.41 0.00 1.36 5.15 0.08 -2.48 115.26 119.48 1snr n ASN 65 Ca 0.17 0.40 0.00 0.00 -0.60 0.00 0.00 54.58 54.55 1snr n ASN 65 Cb 0.38 -4.33 0.00 0.00 -0.53 0.00 0.00 39.78 35.30 1snr n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1snr n GLY 66 N -0.37 0.60 3.33 8.20 0.00 -0.90 -4.96 105.19 111.08 1snr n GLY 66 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 1snr n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1snr s THR 67 N -2.49 1.77 -0.22 2.61 -4.23 -1.03 -4.97 115.64 107.07 1snr s THR 67 Ca 0.00 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 1snr s THR 67 Cb 0.00 -1.86 0.05 0.00 1.34 0.00 0.00 72.50 72.03 1snr s THR 67 CO 0.00 -0.37 -0.12 -0.69 -0.54 0.00 0.00 174.62 172.89 1snr s VAL 68 N -2.22 1.94 0.95 2.29 1.01 -1.26 -2.89 120.40 120.22 1snr s VAL 68 Ca 0.16 -1.28 -0.12 0.00 0.00 0.00 0.00 61.98 60.74 1snr s VAL 68 Cb -0.05 -1.99 0.16 0.00 0.00 0.00 0.00 36.38 34.50 1snr s VAL 68 CO 0.06 0.14 1.12 -2.16 0.00 0.00 0.00 175.10 174.26 1snr s PRO 69 N 1.25 0.84 0.98 2.72 0.04 -1.26 -2.37 135.00 137.20 1snr s PRO 69 Ca -0.04 0.37 -0.11 0.00 0.04 0.00 0.00 61.00 61.26 1snr s PRO 69 Cb -0.17 -1.80 0.18 0.00 0.04 0.00 0.00 34.50 32.75 1snr s PRO 69 CO -0.08 -2.42 1.10 0.20 0.04 0.00 0.00 177.00 175.84 1snr s GLY 70 N -3.81 1.63 0.65 0.56 0.00 0.11 -4.74 107.32 101.73 1snr s GLY 70 Ca 0.64 0.25 -0.15 0.00 0.00 0.00 0.00 44.72 45.47 1snr s GLY 70 CO 0.55 0.77 1.10 2.56 0.00 0.00 0.00 173.10 178.08 1snr s PRO 71 N -4.65 2.86 -0.13 2.90 0.04 -1.26 -4.43 135.00 130.33 1snr s PRO 71 Ca 0.66 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.75 1snr s PRO 71 Cb -0.22 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1snr s PRO 71 CO 0.60 -1.19 1.01 -1.17 0.04 0.00 0.00 177.00 176.28 1snr s LEU 72 N -4.88 4.22 -0.13 -3.56 2.96 -1.26 -4.32 118.68 111.71 1snr s LEU 72 Ca 0.66 1.49 -0.10 0.00 -0.22 0.00 0.00 54.13 55.96 1snr s LEU 72 Cb -0.19 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 1snr s LEU 72 CO 0.42 -0.49 0.21 -0.04 -1.32 0.00 0.00 176.35 175.13 1snr s MET 73 N 2.24 3.87 -0.12 1.98 -1.94 -1.17 -4.55 119.30 119.61 1snr s MET 73 Ca 0.47 -0.02 0.02 0.00 -1.71 0.00 0.00 55.69 54.45 1snr s MET 73 Cb -0.18 -3.30 0.01 0.00 2.01 0.00 0.00 34.83 33.38 1snr s MET 73 CO 0.16 0.53 -0.19 0.08 -0.01 0.00 0.00 175.02 175.59 1snr s VAL 74 N -0.38 1.78 0.37 -6.03 1.01 -1.26 -0.42 120.40 115.47 1snr s VAL 74 Ca 0.15 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.37 1snr s VAL 74 Cb -0.13 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1snr s VAL 74 CO 0.04 0.50 0.20 0.68 0.00 0.00 0.00 175.10 176.51 1snr s VAL 75 N 0.87 0.30 0.24 2.92 -7.23 -0.46 -5.00 120.40 112.04 1snr s VAL 75 Ca -0.07 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.18 1snr s VAL 75 Cb -0.15 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 1snr s VAL 75 CO -0.01 0.00 0.04 -1.00 -0.31 0.00 0.00 175.10 173.82 1snr s HIS 76 N -3.34 2.83 0.19 2.82 3.76 -1.26 -0.80 115.29 119.50 1snr s HIS 76 Ca 0.32 -0.17 -0.33 0.00 -0.15 0.00 0.00 55.06 54.72 1snr s HIS 76 Cb 0.02 -1.29 -0.14 0.00 1.11 0.00 0.00 32.58 32.29 1snr s HIS 76 CO 0.20 0.57 1.51 0.94 -0.85 0.00 0.00 174.74 177.12 1snr n GLN 77 N -0.75 2.12 -0.94 1.40 7.27 0.11 -1.40 117.38 125.17 1snr n GLN 77 Ca -0.08 0.76 0.00 0.00 0.07 0.00 0.00 57.00 57.75 1snr n GLN 77 Cb 0.58 -2.49 0.00 0.00 2.41 0.00 0.00 30.24 30.74 1snr n GLN 77 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1snr n ASP 78 N 2.88 -1.45 -4.68 1.69 10.43 0.32 -4.72 116.55 121.03 1snr n ASP 78 Ca 0.15 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 57.21 1snr n ASP 78 Cb 0.30 -0.71 0.16 0.00 1.84 0.00 0.00 41.12 42.72 1snr n ASP 78 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1snr s ASP 79 N -2.48 2.92 -0.10 -2.24 -0.00 -0.50 -4.68 116.67 109.60 1snr s ASP 79 Ca 0.00 1.39 -0.02 0.00 -0.00 0.00 0.00 52.55 53.93 1snr s ASP 79 Cb 0.00 -2.07 -0.03 0.00 -0.00 0.00 0.00 42.92 40.82 1snr s ASP 79 CO 0.00 -2.97 -0.03 -0.31 -0.00 0.00 0.00 175.17 171.86 1snr s TYR 80 N -2.90 3.06 -0.27 4.23 1.51 -0.31 -1.04 117.35 121.63 1snr s TYR 80 Ca 0.65 0.02 -0.10 0.00 -1.01 0.00 0.00 57.07 56.63 1snr s TYR 80 Cb -0.19 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 1snr s TYR 80 CO 0.58 0.30 0.16 -1.17 -1.11 0.00 0.00 175.55 174.30 1snr s LEU 81 N -0.53 3.90 -0.32 -1.29 0.20 0.10 -0.56 118.68 120.18 1snr s LEU 81 Ca 0.08 -0.04 0.01 0.00 0.69 0.00 0.00 54.13 54.88 1snr s LEU 81 Cb -0.12 -2.07 0.08 0.00 -0.43 0.00 0.00 46.19 43.65 1snr s LEU 81 CO 0.02 -0.03 0.01 -0.70 -0.29 0.00 0.00 176.35 175.37 1snr s GLU 82 N 1.60 2.03 -0.21 1.98 2.12 0.07 -1.48 118.70 124.82 1snr s GLU 82 Ca 0.07 -1.55 -0.08 0.00 0.36 0.00 0.00 54.97 53.76 1snr s GLU 82 Cb -0.15 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 1snr s GLU 82 CO 0.08 -0.77 0.09 -1.17 -0.54 0.00 0.00 175.26 172.96 1snr s LEU 83 N 1.09 3.83 -0.33 2.70 2.96 0.14 -1.31 118.68 127.76 1snr s LEU 83 Ca 0.00 0.04 -0.19 0.00 -0.22 0.00 0.00 54.13 53.76 1snr s LEU 83 Cb -0.20 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 1snr s LEU 83 CO -0.05 0.11 0.57 -0.89 -1.32 0.00 0.00 176.35 174.78 1snr s THR 84 N 0.75 4.97 -0.16 3.68 2.01 0.12 -1.34 115.64 125.68 1snr s THR 84 Ca 0.05 0.62 -0.01 0.00 0.31 0.00 0.00 61.69 62.66 1snr s THR 84 Cb -0.13 -3.98 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 1snr s THR 84 CO 0.02 -0.17 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.45 1snr s LEU 85 N 2.51 2.76 -0.09 4.42 2.96 -0.01 -1.14 118.68 130.09 1snr s LEU 85 Ca 0.22 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 1snr s LEU 85 Cb -0.15 -1.65 -0.00 0.00 0.50 0.00 0.00 46.19 44.89 1snr s LEU 85 CO 0.13 0.11 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.39 1snr s ILE 86 N 0.70 2.07 -0.51 6.68 1.01 -0.50 -1.48 121.20 129.18 1snr s ILE 86 Ca -0.05 -1.03 -0.02 0.00 0.00 0.00 0.00 60.65 59.56 1snr s ILE 86 Cb -0.15 -1.78 0.13 0.00 0.01 0.00 0.00 42.46 40.67 1snr s ILE 86 CO 0.02 0.56 0.30 0.21 0.00 0.00 0.00 174.94 176.04 1snr s ASN 87 N 0.23 5.14 0.76 3.58 2.47 -0.28 -1.21 114.94 125.62 1snr s ASN 87 Ca -0.16 -2.49 -0.15 0.00 0.42 0.00 0.00 52.86 50.49 1snr s ASN 87 Cb -0.17 -1.81 0.05 0.00 -1.45 0.00 0.00 41.25 37.87 1snr s ASN 87 CO 0.08 -0.43 1.22 -2.84 -3.72 0.00 0.00 177.10 171.41 1snr s PRO 88 N 0.47 1.94 0.24 0.43 0.02 -1.26 -0.02 135.00 136.82 1snr s PRO 88 Ca 0.13 1.81 0.22 0.00 0.02 0.00 0.00 61.00 63.18 1snr s PRO 88 Cb -0.22 -1.80 0.96 0.00 0.02 0.00 0.00 34.50 33.46 1snr s PRO 88 CO -0.04 -2.00 1.67 -0.85 -0.33 0.00 0.00 177.00 175.46 1snr n GLU 89 N -2.89 0.17 0.22 5.54 0.28 -1.26 -1.47 120.64 121.22 1snr n GLU 89 Ca 0.14 0.44 0.15 0.00 -0.16 0.00 0.00 57.16 57.72 1snr n GLU 89 Cb 0.50 -1.85 0.50 0.00 1.43 0.00 0.00 31.44 32.02 1snr n GLU 89 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 1snr h THR 90 N 0.00 0.00 -4.40 3.84 1.35 -1.95 -3.44 112.91 108.30 1snr h THR 90 Ca 0.00 -0.56 -0.49 0.00 -0.55 0.00 0.00 66.41 64.81 1snr h THR 90 Cb 0.30 1.50 0.09 0.00 -1.73 0.00 0.00 68.15 68.32 1snr h THR 90 CO 0.00 0.00 0.38 0.20 -0.25 0.00 0.00 175.52 175.85 1snr s ASN 91 N -5.37 5.03 -0.02 5.36 0.01 -0.54 -5.01 114.94 114.40 1snr s ASN 91 Ca 0.04 1.21 0.10 0.00 -0.71 0.00 0.00 52.86 53.51 1snr s ASN 91 Cb 0.09 -1.98 -0.16 0.00 0.41 0.00 0.00 41.25 39.61 1snr s ASN 91 CO 0.55 -1.61 0.22 0.35 -1.51 0.00 0.00 177.10 175.09 1snr n THR 92 N -3.19 0.01 -4.26 1.60 -2.24 -1.26 -4.75 114.28 100.19 1snr n THR 92 Ca 0.07 -0.24 -0.28 0.00 -2.27 0.00 0.00 64.05 61.34 1snr n THR 92 Cb 0.57 0.25 -0.09 0.00 -2.10 0.00 0.00 70.33 68.95 1snr n THR 92 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1snr s LEU 93 N -3.73 3.02 0.36 3.22 1.43 -1.26 -4.88 118.68 116.84 1snr s LEU 93 Ca -0.04 -0.50 -0.27 0.00 -1.03 0.00 0.00 54.13 52.30 1snr s LEU 93 Cb 0.06 -1.74 -0.09 0.00 0.03 0.00 0.00 46.19 44.45 1snr s LEU 93 CO 0.43 0.13 1.18 -0.32 0.23 0.00 0.00 176.35 178.00 1snr s MET 94 N -2.63 4.23 0.17 1.70 -2.45 -1.26 -4.17 119.30 114.89 1snr s MET 94 Ca 0.24 1.91 0.00 0.00 -1.25 0.00 0.00 55.69 56.59 1snr s MET 94 Cb -0.10 -2.85 -0.04 0.00 1.25 0.00 0.00 34.83 33.09 1snr s MET 94 CO 0.15 -0.19 0.06 -1.01 1.05 0.00 0.00 175.02 175.07 1snr s HIS 95 N -1.31 1.11 0.00 4.11 0.09 -0.85 -4.89 115.29 113.55 1snr s HIS 95 Ca 0.53 -1.18 0.00 0.00 -0.00 0.00 0.00 55.06 54.41 1snr s HIS 95 Cb -0.33 -0.62 0.00 0.00 -0.00 0.00 0.00 32.58 31.63 1snr s HIS 95 CO 0.42 -0.41 0.00 0.27 -0.00 0.00 0.00 174.74 175.01 1snr n ASN 96 N -0.22 0.00 -3.76 1.40 6.94 -1.26 -0.99 115.26 117.37 1snr n ASN 96 Ca -0.04 -0.76 -0.13 0.00 -0.02 0.00 0.00 54.58 53.64 1snr n ASN 96 Cb 0.64 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.93 1snr n ASN 96 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1snr s ILE 97 N -2.66 -0.03 -0.28 1.53 2.07 -1.26 -4.20 121.20 116.37 1snr s ILE 97 Ca 0.00 0.11 -0.04 0.00 -1.41 0.00 0.00 60.65 59.31 1snr s ILE 97 Cb 0.00 -0.32 0.03 0.00 0.13 0.00 0.00 42.46 42.30 1snr s ILE 97 CO 0.00 0.04 0.01 -0.62 -1.91 0.00 0.00 174.94 172.47 1snr s ASP 98 N 0.85 4.79 -0.34 4.50 3.68 0.29 -1.51 116.67 128.93 1snr s ASP 98 Ca -0.06 -0.91 -0.18 0.00 2.13 0.00 0.00 52.55 53.53 1snr s ASP 98 Cb -0.08 -1.77 -0.01 0.00 -1.45 0.00 0.00 42.92 39.62 1snr s ASP 98 CO -0.05 -0.19 0.49 -0.36 0.13 0.00 0.00 175.17 175.19 1snr s PHE 99 N 1.38 3.19 0.50 -5.34 0.40 0.21 -1.21 117.98 117.11 1snr s PHE 99 Ca -0.00 0.19 0.41 0.00 -0.60 0.00 0.00 56.93 56.93 1snr s PHE 99 Cb -0.18 -2.87 2.17 0.00 0.51 0.00 0.00 43.02 42.65 1snr s PHE 99 CO -0.01 -0.50 2.25 0.45 0.70 0.00 0.00 175.22 178.11 1snr h HIS 100 N 8.42 0.00 0.00 0.36 3.86 -1.50 -1.80 115.15 124.49 1snr h HIS 100 Ca -0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1snr h HIS 100 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1snr h HIS 100 CO 0.72 0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.51 1snr h ALA 101 N 2.00 1.00 -2.01 2.45 0.00 -1.90 -3.47 119.26 117.33 1snr h ALA 101 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 1snr h ALA 101 Cb 0.07 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1snr h ALA 101 CO 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 179.25 178.97 1snr s ALA 102 N -3.26 3.98 -0.18 0.00 0.00 -0.68 -4.58 121.76 117.04 1snr s ALA 102 Ca 0.07 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.80 1snr s ALA 102 Cb 0.10 -1.86 0.03 0.00 0.00 0.00 0.00 23.12 21.39 1snr s ALA 102 CO 0.54 -0.05 -0.15 0.99 0.00 0.00 0.00 175.76 177.09 1snr s THR 103 N -2.24 1.81 0.00 0.00 2.01 -1.26 -4.71 115.64 111.25 1snr s THR 103 Ca 0.43 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.50 1snr s THR 103 Cb -0.10 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.68 1snr s THR 103 CO 0.33 0.37 0.00 0.61 -0.69 0.00 0.00 174.62 175.24 1snr n GLY 104 N 4.67 2.95 3.98 4.40 0.00 -1.26 -4.95 105.19 114.98 1snr n GLY 104 Ca -0.17 -1.92 -0.27 0.00 0.00 0.00 0.00 46.02 43.66 1snr n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1snr n ALA 105 N -0.08 -1.83 -3.75 4.61 0.00 -1.26 -0.68 120.51 117.52 1snr n ALA 105 Ca 0.00 -0.18 -0.26 0.00 0.00 0.00 0.00 53.44 53.00 1snr n ALA 105 Cb 0.00 -2.07 0.05 0.00 0.00 0.00 0.00 19.45 17.42 1snr n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1snr n LEU 106 N -4.41 -3.00 -0.05 0.00 4.77 -1.26 -1.22 117.00 111.83 1snr n LEU 106 Ca -0.22 -0.71 -0.01 0.00 -0.03 0.00 0.00 56.01 55.04 1snr n LEU 106 Cb 0.64 -2.75 -0.00 0.00 -2.33 0.00 0.00 43.42 38.98 1snr n LEU 106 CO 0.77 0.50 -0.01 0.61 -1.33 0.00 0.00 177.39 177.93 1snr n GLY 107 N -1.71 0.44 0.00 -0.72 0.00 0.14 -2.34 105.19 101.01 1snr n GLY 107 Ca -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1snr n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1snr n GLY 108 N -2.15 1.78 0.26 -0.02 0.00 -0.36 -0.62 105.19 104.08 1snr n GLY 108 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 1snr n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1snr h GLY 109 N 0.00 0.31 2.00 -0.02 0.00 -0.58 -1.72 103.07 103.06 1snr h GLY 109 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1snr h GLY 109 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 176.54 177.31 1snr n GLY 110 N -1.05 -1.38 0.38 4.60 0.00 -0.61 -3.21 105.19 103.92 1snr n GLY 110 Ca -0.00 0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.14 1snr n GLY 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1snr n LEU 111 N -2.29 1.74 -0.25 0.99 4.77 -0.67 -4.68 117.00 116.61 1snr n LEU 111 Ca 0.03 -0.95 0.06 0.00 -0.03 0.00 0.00 56.01 55.12 1snr n LEU 111 Cb 0.27 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.45 1snr n LEU 111 CO 0.22 0.34 0.44 0.35 -1.33 0.00 0.00 177.39 177.41 1snr n THR 112 N 0.41 1.13 -2.11 -5.08 -2.24 -1.05 -4.95 114.28 100.40 1snr n THR 112 Ca 0.06 -1.37 -0.43 0.00 -2.27 0.00 0.00 64.05 60.04 1snr n THR 112 Cb 0.25 0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 1snr n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1snr s GLU 113 N -1.72 3.46 -0.14 -0.78 2.02 -1.25 -4.20 118.70 116.09 1snr s GLU 113 Ca 0.19 1.32 0.02 0.00 0.02 0.00 0.00 54.97 56.52 1snr s GLU 113 Cb 0.17 -4.13 0.02 0.00 0.10 0.00 0.00 34.13 30.29 1snr s GLU 113 CO 0.02 -1.70 -0.18 0.96 0.02 0.00 0.00 175.26 174.37 1snr s ILE 114 N 6.26 1.78 0.74 -1.63 -4.36 -0.16 -4.98 121.20 118.85 1snr s ILE 114 Ca 0.74 -0.80 -0.11 0.00 -0.26 0.00 0.00 60.65 60.22 1snr s ILE 114 Cb -0.20 -1.61 0.03 0.00 1.25 0.00 0.00 42.46 41.92 1snr s ILE 114 CO 0.33 0.50 1.08 0.20 0.24 0.00 0.00 174.94 177.29 1snr s ASN 115 N 1.07 5.08 0.16 4.36 0.02 -1.26 -2.00 114.94 122.37 1snr s ASN 115 Ca -0.03 1.34 -0.34 0.00 -1.02 0.00 0.00 52.86 52.81 1snr s ASN 115 Cb -0.14 -2.15 -0.15 0.00 0.02 0.00 0.00 41.25 38.83 1snr s ASN 115 CO -0.05 -1.60 1.45 -2.65 0.02 0.00 0.00 177.10 174.28 1snr n PRO 116 N -3.20 1.82 -0.30 -0.60 -0.02 -1.26 -1.46 135.00 129.99 1snr n PRO 116 Ca 0.07 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1snr n PRO 116 Cb 0.56 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1snr n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1snr n GLY 117 N 2.83 0.71 3.53 -1.23 0.00 0.97 -4.71 105.19 107.28 1snr n GLY 117 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1snr n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1snr s GLU 118 N -0.70 1.88 0.19 1.61 2.02 -0.54 -4.90 118.70 118.27 1snr s GLU 118 Ca 0.00 -1.62 -0.00 0.00 0.02 0.00 0.00 54.97 53.36 1snr s GLU 118 Cb 0.00 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 32.27 1snr s GLU 118 CO 0.00 0.35 0.09 -1.59 0.02 0.00 0.00 175.26 174.13 1snr s LYS 119 N -3.48 1.17 0.09 1.61 -2.85 -1.26 -1.13 119.74 113.88 1snr s LYS 119 Ca 0.30 -1.60 -0.19 0.00 -1.00 0.00 0.00 55.97 53.48 1snr s LYS 119 Cb -0.06 0.11 0.04 0.00 -2.06 0.00 0.00 37.83 35.87 1snr s LYS 119 CO 0.16 -0.32 0.45 -0.08 0.10 0.00 0.00 175.35 175.66 1snr s THR 120 N -4.01 0.05 -0.13 3.79 -1.32 -0.55 -5.01 115.64 108.47 1snr s THR 120 Ca 0.34 -0.42 -0.00 0.00 -1.21 0.00 0.00 61.69 60.39 1snr s THR 120 Cb 0.07 -1.05 0.03 0.00 -1.51 0.00 0.00 72.50 70.04 1snr s THR 120 CO 0.09 -0.23 -0.08 -0.63 -2.21 0.00 0.00 174.62 171.55 1snr s ILE 121 N -3.11 1.16 -0.09 5.08 1.01 -1.26 -0.83 121.20 123.16 1snr s ILE 121 Ca -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.21 1snr s ILE 121 Cb 0.00 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 1snr s ILE 121 CO -0.07 0.33 -0.10 -0.22 0.00 0.00 0.00 174.94 174.88 1snr s LEU 122 N 1.65 2.94 -0.07 2.97 2.96 -0.45 -4.96 118.68 123.72 1snr s LEU 122 Ca 0.04 -0.17 0.05 0.00 -0.22 0.00 0.00 54.13 53.83 1snr s LEU 122 Cb -0.13 -1.65 -0.00 0.00 0.50 0.00 0.00 46.19 44.91 1snr s LEU 122 CO -0.09 0.28 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.41 1snr s ARG 123 N -0.30 2.39 0.04 1.98 3.52 -1.26 -0.69 118.95 124.63 1snr s ARG 123 Ca 0.03 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 54.86 1snr s ARG 123 Cb -0.13 -1.96 -0.03 0.00 -1.56 0.00 0.00 34.95 31.27 1snr s ARG 123 CO 0.03 0.26 -0.04 -0.59 -0.81 0.00 0.00 175.30 174.14 1snr s PHE 124 N 0.10 0.45 -0.12 5.12 -0.12 -0.55 -4.97 117.98 117.89 1snr s PHE 124 Ca -0.09 -0.69 -0.23 0.00 -0.05 0.00 0.00 56.93 55.87 1snr s PHE 124 Cb -0.14 -0.30 -0.03 0.00 -0.63 0.00 0.00 43.02 41.91 1snr s PHE 124 CO 0.05 -0.21 0.72 0.21 -0.05 0.00 0.00 175.22 175.94 1snr s LYS 125 N -2.28 4.36 -1.16 1.99 2.20 -1.26 -0.72 119.74 122.86 1snr s LYS 125 Ca -0.07 0.87 -0.16 0.00 -0.36 0.00 0.00 55.97 56.26 1snr s LYS 125 Cb -0.04 -3.51 0.15 0.00 -1.51 0.00 0.00 37.83 32.92 1snr s LYS 125 CO -0.03 -0.10 1.42 0.00 -0.36 0.00 0.00 175.35 176.28 1snr s ALA 126 N 1.38 3.75 -0.41 3.13 0.00 -0.21 -4.77 121.76 124.64 1snr s ALA 126 Ca 0.36 -3.16 0.24 0.00 0.00 0.00 0.00 51.96 49.41 1snr s ALA 126 Cb -0.17 -4.20 0.50 0.00 0.00 0.00 0.00 23.12 19.25 1snr s ALA 126 CO 0.15 -2.91 1.67 1.79 0.00 0.00 0.00 175.76 176.46 1snr h THR 127 N 5.07 0.00 -3.39 0.00 1.35 -1.85 0.94 112.91 115.02 1snr h THR 127 Ca 0.30 -0.89 -0.61 0.00 -0.55 0.00 0.00 66.41 64.66 1snr h THR 127 Cb 0.90 1.89 -0.33 0.00 -1.73 0.00 0.00 68.15 68.88 1snr h THR 127 CO 1.26 0.00 -0.85 -0.54 -0.25 0.00 0.00 175.52 175.13 1snr s LYS 128 N -3.25 2.45 0.12 4.72 1.02 -1.26 -4.74 119.74 118.79 1snr s LYS 128 Ca 0.07 -0.68 -0.27 0.00 0.02 0.00 0.00 55.97 55.11 1snr s LYS 128 Cb 0.06 -1.91 -0.07 0.00 -0.52 0.00 0.00 37.83 35.40 1snr s LYS 128 CO 0.65 0.12 0.84 -1.25 -0.92 0.00 0.00 175.35 174.79 1snr s PRO 129 N 0.46 4.61 0.00 -1.68 0.04 -1.26 -4.80 135.00 132.38 1snr s PRO 129 Ca -0.17 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1snr s PRO 129 Cb -0.17 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1snr s PRO 129 CO 0.07 0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.89 1snr n GLY 130 N 2.03 -0.11 3.86 0.56 0.00 0.27 -1.94 105.19 109.86 1snr n GLY 130 Ca -0.02 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.29 1snr n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1snr s VAL 131 N -1.92 5.25 -0.03 1.61 -7.23 0.61 -0.12 120.40 118.57 1snr s VAL 131 Ca 0.00 0.45 -0.03 0.00 -1.81 0.00 0.00 61.98 60.58 1snr s VAL 131 Cb 0.00 -3.57 0.01 0.00 0.56 0.00 0.00 36.38 33.37 1snr s VAL 131 CO 0.00 0.52 0.09 -0.36 -0.31 0.00 0.00 175.10 175.04 1snr s PHE 132 N -1.14 -0.07 0.50 2.82 0.08 -0.30 -4.44 117.98 115.41 1snr s PHE 132 Ca 0.23 0.18 -0.21 0.00 0.12 0.00 0.00 56.93 57.25 1snr s PHE 132 Cb -0.14 0.02 -0.07 0.00 -0.57 0.00 0.00 43.02 42.26 1snr s PHE 132 CO 0.11 -0.07 1.14 0.08 -0.10 0.00 0.00 175.22 176.39 1snr s VAL 133 N -0.13 3.15 0.13 -0.44 1.01 -1.26 -0.54 120.40 122.32 1snr s VAL 133 Ca -0.02 0.79 0.09 0.00 0.00 0.00 0.00 61.98 62.84 1snr s VAL 133 Cb -0.02 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1snr s VAL 133 CO 0.00 -0.08 -0.20 -0.72 0.00 0.00 0.00 175.10 174.10 1snr s TYR 134 N -1.66 1.84 0.09 5.22 -0.85 -0.72 -1.33 117.35 119.95 1snr s TYR 134 Ca 0.68 -0.44 -0.25 0.00 -0.52 0.00 0.00 57.07 56.54 1snr s TYR 134 Cb -0.26 -0.97 0.08 0.00 0.38 0.00 0.00 41.96 41.19 1snr s TYR 134 CO 0.31 0.27 0.67 -3.38 -1.52 0.00 0.00 175.55 171.90 1snr s HIS 135 N -1.53 -0.52 0.48 -3.49 -3.43 -0.35 -0.86 115.29 105.60 1snr s HIS 135 Ca 0.11 0.42 -0.21 0.00 -0.80 0.00 0.00 55.06 54.58 1snr s HIS 135 Cb -0.08 0.53 -0.08 0.00 -1.43 0.00 0.00 32.58 31.53 1snr s HIS 135 CO 0.05 -0.75 1.09 0.00 -2.00 0.00 0.00 174.74 173.14 1snr n ALA 137 N -0.83 -0.40 -2.41 0.00 0.00 -1.26 -4.53 120.51 111.08 1snr n ALA 137 Ca 0.09 -1.92 -0.42 0.00 0.00 0.00 0.00 53.44 51.18 1snr n ALA 137 Cb 0.51 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1snr n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1snr s PRO 138 N 0.18 4.34 0.09 0.00 0.02 -1.26 -4.88 135.00 133.49 1snr s PRO 138 Ca 0.32 1.74 -0.37 0.00 0.02 0.00 0.00 61.00 62.71 1snr s PRO 138 Cb 0.22 -3.55 -0.17 0.00 0.02 0.00 0.00 34.50 31.02 1snr s PRO 138 CO -0.21 -0.47 1.33 -2.30 -0.33 0.00 0.00 177.00 175.03 1snr n PRO 139 N 5.19 1.14 0.00 5.54 -0.02 -1.26 -0.99 135.00 144.59 1snr n PRO 139 Ca 0.11 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1snr n PRO 139 Cb 0.46 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1snr n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1snr n GLY 140 N 2.48 2.06 0.78 -1.23 0.00 -1.26 -4.81 105.19 103.21 1snr n GLY 140 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 1snr n GLY 140 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1snr n MET 141 N -2.00 0.32 0.43 1.61 2.81 -0.16 -4.98 117.12 115.15 1snr n MET 141 Ca 0.00 -1.75 -0.17 0.00 -1.81 0.00 0.00 57.70 53.97 1snr n MET 141 Cb 0.00 -0.57 -0.08 0.00 -0.71 0.00 0.00 33.22 31.86 1snr n MET 141 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1snr h VAL 142 N 5.52 0.00 -0.13 2.03 2.07 -1.83 -2.67 116.25 121.24 1snr h VAL 142 Ca -0.07 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1snr h VAL 142 Cb 1.47 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1snr h VAL 142 CO 0.03 0.00 -0.05 1.55 0.02 0.00 0.00 177.57 179.13 1snr h PRO 143 N -1.16 0.19 -0.59 1.57 0.13 -1.92 -2.30 132.00 127.92 1snr h PRO 143 Ca -0.11 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1snr h PRO 143 Cb 0.84 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.91 1snr h PRO 143 CO 0.18 0.25 0.37 2.35 -0.23 0.00 0.00 178.00 180.92 1snr h TRP 144 N 0.19 0.76 -0.42 1.56 7.01 -1.94 0.40 115.95 123.52 1snr h TRP 144 Ca 0.04 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 60.97 1snr h TRP 144 Cb 0.21 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 1snr h TRP 144 CO 0.00 0.51 -0.03 0.45 -2.79 0.00 0.00 178.44 176.59 1snr h HIS 145 N 0.80 0.83 -0.30 2.65 3.86 -1.11 -2.30 115.15 119.57 1snr h HIS 145 Ca 0.21 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1snr h HIS 145 Cb -0.04 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 1snr h HIS 145 CO -0.02 0.84 0.14 0.28 0.86 0.00 0.00 177.93 180.03 1snr h VAL 146 N 0.58 1.16 -0.00 2.45 2.07 -1.02 -2.22 116.25 119.26 1snr h VAL 146 Ca 0.11 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1snr h VAL 146 Cb 0.53 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1snr h VAL 146 CO 0.03 0.16 -0.00 1.33 0.02 0.00 0.00 177.57 179.11 1snr n VAL 147 N -4.77 0.00 0.72 2.57 0.24 0.10 -1.51 118.33 115.67 1snr n VAL 147 Ca -0.02 -0.02 0.07 0.00 -2.04 0.00 0.00 64.34 62.33 1snr n VAL 147 Cb 0.11 -0.40 0.19 0.00 -1.47 0.00 0.00 33.84 32.26 1snr n VAL 147 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1snr n SER 148 N -0.89 2.17 0.00 -1.34 7.64 -0.87 -4.64 113.62 115.70 1snr n SER 148 Ca 0.23 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 58.13 1snr n SER 148 Cb 0.13 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1snr n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1snr n GLY 149 N 1.15 0.82 2.84 0.23 0.00 -0.57 -1.28 105.19 108.37 1snr n GLY 149 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1snr n GLY 149 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1snr n MET 150 N -2.05 3.57 -3.46 1.61 0.00 -0.88 -4.54 117.12 111.36 1snr n MET 150 Ca 0.00 -3.43 -0.14 0.00 0.00 0.00 0.00 57.70 54.14 1snr n MET 150 Cb 0.00 -2.95 -0.03 0.00 0.00 0.00 0.00 33.22 30.23 1snr n MET 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1snr s ASN 151 N 1.06 -0.58 0.00 6.12 2.20 -1.26 -1.63 114.94 120.85 1snr s ASN 151 Ca 0.41 0.25 0.00 0.00 -0.94 0.00 0.00 52.86 52.57 1snr s ASN 151 Cb 0.10 0.55 0.00 0.00 -2.00 0.00 0.00 41.25 39.91 1snr s ASN 151 CO -0.01 -0.80 0.00 0.61 -2.94 0.00 0.00 177.10 173.96 1snr n GLY 152 N 0.09 3.44 3.41 0.45 0.00 -0.04 -0.71 105.19 111.82 1snr n GLY 152 Ca -0.17 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 1snr n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1snr s ALA 153 N -1.05 -0.58 0.27 4.61 0.00 -1.26 -1.75 121.76 122.00 1snr s ALA 153 Ca 0.00 -0.44 0.08 0.00 0.00 0.00 0.00 51.96 51.60 1snr s ALA 153 Cb 0.00 0.80 -0.05 0.00 0.00 0.00 0.00 23.12 23.87 1snr s ALA 153 CO 0.00 -0.71 -0.12 0.96 0.00 0.00 0.00 175.76 175.90 1snr s ILE 154 N -3.89 1.93 -0.12 0.00 -4.36 0.29 -3.03 121.20 112.02 1snr s ILE 154 Ca 0.10 -2.22 0.02 0.00 -0.26 0.00 0.00 60.65 58.29 1snr s ILE 154 Cb 0.01 -2.33 0.01 0.00 1.25 0.00 0.00 42.46 41.41 1snr s ILE 154 CO -0.04 -0.39 -0.17 -0.32 0.24 0.00 0.00 174.94 174.25 1snr s MET 155 N -3.64 2.49 -0.47 0.37 -2.45 0.44 -1.15 119.30 114.89 1snr s MET 155 Ca 0.28 -0.66 -0.09 0.00 -1.25 0.00 0.00 55.69 53.97 1snr s MET 155 Cb 0.00 -2.09 0.12 0.00 1.25 0.00 0.00 34.83 34.11 1snr s MET 155 CO 0.12 -0.07 0.34 0.08 1.05 0.00 0.00 175.02 176.54 1snr s VAL 156 N 0.99 4.23 0.41 10.11 1.01 0.83 -1.35 120.40 136.62 1snr s VAL 156 Ca -0.05 -1.76 -0.23 0.00 0.00 0.00 0.00 61.98 59.93 1snr s VAL 156 Cb -0.15 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.37 1snr s VAL 156 CO -0.03 -0.76 1.03 -0.76 0.00 0.00 0.00 175.10 174.58 1snr s LEU 157 N 1.37 4.08 0.67 3.92 1.43 0.02 -0.57 118.68 129.60 1snr s LEU 157 Ca 0.06 1.98 -0.17 0.00 -1.03 0.00 0.00 54.13 54.96 1snr s LEU 157 Cb -0.26 -4.27 0.00 0.00 0.03 0.00 0.00 46.19 41.69 1snr s LEU 157 CO -0.01 -0.51 1.26 -2.84 0.23 0.00 0.00 176.35 174.48 1snr s PRO 158 N -2.66 2.47 0.52 1.29 0.02 -1.26 -0.71 135.00 134.66 1snr s PRO 158 Ca 0.59 1.96 0.22 0.00 0.02 0.00 0.00 61.00 63.79 1snr s PRO 158 Cb -0.20 -1.85 1.39 0.00 0.02 0.00 0.00 34.50 33.86 1snr s PRO 158 CO 0.25 -1.63 2.12 0.00 -0.33 0.00 0.00 177.00 177.40 1snr h ARG 159 N 0.34 0.00 -0.67 5.54 3.08 -1.89 -1.33 114.38 119.46 1snr h ARG 159 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1snr h ARG 159 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1snr h ARG 159 CO 0.52 0.08 0.00 0.39 -1.07 0.00 0.00 179.97 179.89 1snr n GLU 160 N -4.07 3.89 -0.13 0.04 -0.58 -1.26 -0.54 120.64 117.98 1snr n GLU 160 Ca -0.03 -2.39 0.02 0.00 -0.42 0.00 0.00 57.16 54.34 1snr n GLU 160 Cb 0.17 -2.05 -0.00 0.00 -0.57 0.00 0.00 31.44 28.98 1snr n GLU 160 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1snr n GLY 161 N 0.54 -1.86 3.82 0.62 0.00 -0.50 -4.77 105.19 103.04 1snr n GLY 161 Ca 0.21 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 1snr n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1snr s LEU 162 N 0.00 3.89 0.08 0.99 1.43 -1.26 -4.40 118.68 119.41 1snr s LEU 162 Ca 0.00 1.69 0.01 0.00 -1.03 0.00 0.00 54.13 54.80 1snr s LEU 162 Cb 0.00 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 1snr s LEU 162 CO 0.00 -0.42 -0.05 -1.00 0.23 0.00 0.00 176.35 175.11 1snr s HIS 163 N -2.23 0.74 0.45 0.29 3.76 -1.26 -1.49 115.29 115.55 1snr s HIS 163 Ca 0.62 -0.92 -0.08 0.00 -0.15 0.00 0.00 55.06 54.54 1snr s HIS 163 Cb -0.10 -0.46 0.11 0.00 1.11 0.00 0.00 32.58 33.24 1snr s HIS 163 CO 0.16 -0.22 0.55 -0.40 -0.85 0.00 0.00 174.74 173.98 1snr n ASP 164 N 0.18 -0.32 0.00 1.40 5.68 0.52 -4.81 116.55 119.20 1snr n ASP 164 Ca -0.14 -1.11 0.04 0.00 -0.50 0.00 0.00 54.79 53.09 1snr n ASP 164 Cb 0.60 -0.44 0.21 0.00 -1.14 0.00 0.00 41.12 40.35 1snr n ASP 164 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1snr n GLY 165 N 0.78 -0.72 0.26 6.12 0.00 -1.26 -3.17 105.19 107.21 1snr n GLY 165 Ca 0.07 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.12 1snr n GLY 165 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1snr n LYS 166 N -1.41 0.89 -0.85 1.61 4.76 -1.26 -4.99 118.16 116.90 1snr n LYS 166 Ca 0.03 -2.14 0.00 0.00 -2.87 0.00 0.00 58.31 53.33 1snr n LYS 166 Cb 0.09 -1.17 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 1snr n LYS 166 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1snr n GLY 167 N -0.95 0.62 3.77 0.72 0.00 -1.19 -5.04 105.19 103.12 1snr n GLY 167 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1snr n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1snr s LYS 168 N -0.15 4.35 0.33 1.61 3.01 -1.26 -4.86 119.74 122.77 1snr s LYS 168 Ca 0.00 0.84 -0.29 0.00 -1.01 0.00 0.00 55.97 55.51 1snr s LYS 168 Cb 0.00 -3.32 -0.10 0.00 -1.01 0.00 0.00 37.83 33.40 1snr s LYS 168 CO 0.00 0.43 1.38 0.00 0.51 0.00 0.00 175.35 177.67 1snr s ALA 169 N -0.45 3.55 -0.24 5.17 0.00 -1.26 -0.35 121.76 128.18 1snr s ALA 169 Ca 0.32 1.36 0.02 0.00 0.00 0.00 0.00 51.96 53.67 1snr s ALA 169 Cb -0.19 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.45 1snr s ALA 169 CO 0.19 -0.78 -0.10 -0.51 0.00 0.00 0.00 175.76 174.57 1snr s LEU 170 N -1.57 2.93 -0.23 0.00 1.43 -0.56 -4.79 118.68 115.90 1snr s LEU 170 Ca 0.52 -1.20 -0.01 0.00 -1.03 0.00 0.00 54.13 52.42 1snr s LEU 170 Cb -0.42 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.43 1snr s LEU 170 CO 0.54 -0.18 -0.11 -0.89 0.23 0.00 0.00 176.35 175.94 1snr s THR 171 N 1.24 2.61 0.42 5.49 2.01 -1.26 -4.06 115.64 122.08 1snr s THR 171 Ca -0.06 -1.00 -0.19 0.00 0.31 0.00 0.00 61.69 60.75 1snr s THR 171 Cb -0.19 -2.27 -0.10 0.00 0.01 0.00 0.00 72.50 69.96 1snr s THR 171 CO -0.06 0.31 0.90 -0.72 -0.69 0.00 0.00 174.62 174.35 1snr s TYR 172 N 1.31 3.35 0.03 4.92 -0.85 -1.26 -4.90 117.35 119.95 1snr s TYR 172 Ca 0.01 1.48 0.01 0.00 -0.52 0.00 0.00 57.07 58.06 1snr s TYR 172 Cb -0.16 -2.76 -0.26 0.00 0.38 0.00 0.00 41.96 39.17 1snr s TYR 172 CO -0.07 -0.11 0.95 -0.44 -1.52 0.00 0.00 175.55 174.37 1snr h ASP 173 N 1.79 0.25 -5.10 -0.18 3.32 -0.92 -3.49 116.42 112.10 1snr h ASP 173 Ca -0.48 -0.33 -0.06 0.00 0.02 0.00 0.00 57.03 56.18 1snr h ASP 173 Cb 1.18 -0.08 -0.13 0.00 0.22 0.00 0.00 39.33 40.52 1snr h ASP 173 CO 0.62 1.27 -0.11 -1.59 -1.72 0.00 0.00 179.24 177.71 1snr s LYS 174 N -2.64 1.10 -0.01 3.56 -2.85 -1.04 -5.02 119.74 112.84 1snr s LYS 174 Ca -0.06 -0.80 0.02 0.00 -1.00 0.00 0.00 55.97 54.13 1snr s LYS 174 Cb 0.08 0.45 -0.00 0.00 -2.06 0.00 0.00 37.83 36.30 1snr s LYS 174 CO 0.84 -0.43 -0.08 -1.50 0.10 0.00 0.00 175.35 174.29 1snr s ILE 175 N -3.84 0.62 0.06 3.79 2.07 -1.26 -1.56 121.20 121.09 1snr s ILE 175 Ca 0.05 -0.32 0.07 0.00 -1.41 0.00 0.00 60.65 59.04 1snr s ILE 175 Cb 0.02 -0.53 -0.03 0.00 0.13 0.00 0.00 42.46 42.05 1snr s ILE 175 CO -0.09 0.18 -0.20 -0.31 -1.91 0.00 0.00 174.94 172.61 1snr s TYR 176 N -0.11 1.73 -0.27 3.50 2.02 -0.32 -4.51 117.35 119.40 1snr s TYR 176 Ca 0.02 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.31 1snr s TYR 176 Cb -0.04 -1.01 0.03 0.00 -0.40 0.00 0.00 41.96 40.55 1snr s TYR 176 CO -0.00 0.12 -0.03 -0.47 -1.57 0.00 0.00 175.55 173.59 1snr s TYR 177 N -0.92 3.13 -0.43 2.71 5.04 0.08 -0.98 117.35 125.99 1snr s TYR 177 Ca 0.06 -1.60 -0.12 0.00 -2.44 0.00 0.00 57.07 52.98 1snr s TYR 177 Cb -0.09 -2.09 0.07 0.00 0.35 0.00 0.00 41.96 40.20 1snr s TYR 177 CO 0.02 -0.74 0.29 0.08 -1.34 0.00 0.00 175.55 173.87 1snr s VAL 178 N 1.32 4.62 -0.17 3.14 1.01 0.44 -4.21 120.40 126.56 1snr s VAL 178 Ca -0.01 -1.17 -0.19 0.00 0.00 0.00 0.00 61.98 60.60 1snr s VAL 178 Cb -0.18 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1snr s VAL 178 CO -0.03 -0.47 0.52 -0.83 0.00 0.00 0.00 175.10 174.30 1snr s GLY 179 N 2.14 2.19 -0.16 4.51 0.00 -1.26 -1.88 107.32 112.85 1snr s GLY 179 Ca 0.03 -0.30 -0.06 0.00 0.00 0.00 0.00 44.72 44.39 1snr s GLY 179 CO 0.05 1.01 0.05 1.85 0.00 0.00 0.00 173.10 176.05 1snr s GLU 180 N 1.31 3.80 -0.10 2.90 2.12 -0.54 -1.93 118.70 126.26 1snr s GLU 180 Ca 0.26 -0.36 0.02 0.00 0.36 0.00 0.00 54.97 55.24 1snr s GLU 180 Cb -0.15 -3.13 0.01 0.00 0.26 0.00 0.00 34.13 31.12 1snr s GLU 180 CO 0.10 0.35 -0.15 -1.14 -0.54 0.00 0.00 175.26 173.88 1snr s GLN 181 N 0.14 2.15 -0.19 4.30 2.00 0.39 -4.51 119.66 123.93 1snr s GLN 181 Ca 0.04 -0.54 -0.20 0.00 -2.00 0.00 0.00 55.36 52.66 1snr s GLN 181 Cb -0.12 -1.81 -0.03 0.00 0.80 0.00 0.00 33.01 31.85 1snr s GLN 181 CO 0.01 -0.04 0.57 0.16 -0.50 0.00 0.00 175.29 175.49 1snr s ASP 182 N 0.91 6.63 0.13 6.67 3.84 -1.26 -1.04 116.67 132.55 1snr s ASP 182 Ca -0.08 0.76 0.08 0.00 -0.00 0.00 0.00 52.55 53.31 1snr s ASP 182 Cb -0.15 -2.32 -0.04 0.00 -1.38 0.00 0.00 42.92 39.03 1snr s ASP 182 CO -0.00 -0.22 -0.11 -0.36 -0.00 0.00 0.00 175.17 174.48 1snr s PHE 183 N 1.73 2.69 -0.55 2.11 0.08 -0.28 -4.75 117.98 119.00 1snr s PHE 183 Ca 0.27 -0.19 0.04 0.00 0.12 0.00 0.00 56.93 57.17 1snr s PHE 183 Cb -0.16 -1.38 0.16 0.00 -0.57 0.00 0.00 43.02 41.07 1snr s PHE 183 CO 0.10 0.45 0.40 0.71 -0.10 0.00 0.00 175.22 176.77 1snr s TYR 184 N -1.34 2.38 -0.23 0.36 1.51 -1.26 -0.96 117.35 117.81 1snr s TYR 184 Ca 0.22 -2.82 -0.16 0.00 -1.01 0.00 0.00 57.07 53.31 1snr s TYR 184 Cb -0.10 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 1snr s TYR 184 CO 0.14 -0.69 0.39 0.08 -1.11 0.00 0.00 175.55 174.36 1snr s VAL 185 N -0.61 5.18 0.59 0.71 1.01 -1.26 -4.76 120.40 121.26 1snr s VAL 185 Ca 0.27 0.67 -0.20 0.00 0.00 0.00 0.00 61.98 62.72 1snr s VAL 185 Cb -0.04 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1snr s VAL 185 CO -0.15 0.21 1.33 -2.84 0.00 0.00 0.00 175.10 173.65 1snr s PRO 186 N 1.61 2.89 0.16 2.72 0.02 -1.26 -4.89 135.00 136.25 1snr s PRO 186 Ca 0.18 2.15 0.11 0.00 0.02 0.00 0.00 61.00 63.46 1snr s PRO 186 Cb -0.15 -2.07 -0.04 0.00 0.02 0.00 0.00 34.50 32.25 1snr s PRO 186 CO 0.08 -1.36 -0.22 1.03 -0.33 0.00 0.00 177.00 176.20 1snr s ARG 187 N -3.12 1.59 0.47 5.54 0.52 -1.26 -0.94 118.95 121.75 1snr s ARG 187 Ca 0.76 -1.39 -0.05 0.00 -0.52 0.00 0.00 55.73 54.53 1snr s ARG 187 Cb -0.39 -1.94 0.10 0.00 0.52 0.00 0.00 34.95 33.24 1snr s ARG 187 CO 0.44 0.43 0.64 -0.40 0.02 0.00 0.00 175.30 176.43 1snr n ASP 188 N 0.50 0.38 0.28 0.23 5.68 0.23 -4.85 116.55 118.99 1snr n ASP 188 Ca -0.14 -1.43 0.17 0.00 -0.50 0.00 0.00 54.79 52.89 1snr n ASP 188 Cb 0.55 -0.46 0.69 0.00 -1.14 0.00 0.00 41.12 40.76 1snr n ASP 188 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1snr h GLU 189 N 0.00 0.00 0.00 0.11 4.39 -2.02 -1.17 114.58 115.90 1snr h GLU 189 Ca -0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1snr h GLU 189 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1snr h GLU 189 CO 0.18 0.01 0.00 0.09 -1.16 0.00 0.00 179.01 178.13 1snr n ASN 190 N -3.10 0.00 -0.06 1.42 3.02 -1.26 -4.91 115.26 110.37 1snr n ASN 190 Ca 0.01 -0.35 -0.01 0.00 -0.03 0.00 0.00 54.58 54.20 1snr n ASN 190 Cb 0.31 -0.19 -0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1snr n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1snr n GLY 191 N 0.92 0.48 3.87 7.41 0.00 -0.44 -5.04 105.19 112.39 1snr n GLY 191 Ca 0.15 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 1snr n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1snr s LYS 192 N -1.02 3.70 0.35 1.61 -0.14 -1.26 -4.81 119.74 118.18 1snr s LYS 192 Ca 0.00 0.11 -0.28 0.00 -1.36 0.00 0.00 55.97 54.44 1snr s LYS 192 Cb 0.00 -3.07 -0.10 0.00 -1.68 0.00 0.00 37.83 32.97 1snr s LYS 192 CO 0.00 0.62 1.37 0.71 -0.76 0.00 0.00 175.35 177.29 1snr s TYR 193 N -1.29 2.87 0.33 3.18 1.51 -1.26 -0.60 117.35 122.09 1snr s TYR 193 Ca 0.29 1.33 -0.14 0.00 -1.01 0.00 0.00 57.07 57.54 1snr s TYR 193 Cb -0.14 -3.80 -0.08 0.00 -0.11 0.00 0.00 41.96 37.83 1snr s TYR 193 CO 0.16 -2.27 0.73 0.15 -1.11 0.00 0.00 175.55 173.21 1snr s LYS 194 N -1.93 3.94 0.07 -0.62 1.02 -0.12 -4.81 119.74 117.30 1snr s LYS 194 Ca 0.51 0.60 0.07 0.00 0.02 0.00 0.00 55.97 57.16 1snr s LYS 194 Cb -0.42 -2.44 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 1snr s LYS 194 CO 0.56 0.13 -0.13 0.15 -0.92 0.00 0.00 175.35 175.14 1snr s LYS 195 N -3.16 2.14 -0.03 1.68 1.02 -1.26 -4.75 119.74 115.38 1snr s LYS 195 Ca 0.53 -0.98 0.04 0.00 0.02 0.00 0.00 55.97 55.58 1snr s LYS 195 Cb -0.10 -2.28 -0.00 0.00 -0.52 0.00 0.00 37.83 34.92 1snr s LYS 195 CO 0.21 0.53 -0.15 0.71 -0.92 0.00 0.00 175.35 175.73 1snr s TYR 196 N -1.10 1.41 0.16 3.18 2.02 -1.26 -5.04 117.35 116.73 1snr s TYR 196 Ca 0.19 -0.35 -0.14 0.00 -0.37 0.00 0.00 57.07 56.40 1snr s TYR 196 Cb -0.11 -0.95 0.05 0.00 -0.40 0.00 0.00 41.96 40.55 1snr s TYR 196 CO 0.10 -0.10 1.77 0.93 -1.57 0.00 0.00 175.55 176.69 1snr h GLU 197 N 6.10 0.70 -5.97 -0.62 5.08 -2.00 -3.45 114.58 114.42 1snr h GLU 197 Ca -0.34 -0.08 -0.53 0.00 -1.00 0.00 0.00 59.36 57.42 1snr h GLU 197 Cb 1.17 -0.14 -0.19 0.00 0.50 0.00 0.00 28.75 30.08 1snr h GLU 197 CO 0.48 0.54 -0.80 0.00 -1.00 0.00 0.00 179.01 178.24 1snr s ALA 198 N -5.87 1.88 0.32 3.43 0.00 -1.26 -5.05 121.76 115.21 1snr s ALA 198 Ca -0.13 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1snr s ALA 198 Cb 0.12 -0.20 0.54 0.00 0.00 0.00 0.00 23.12 23.58 1snr s ALA 198 CO 0.75 0.27 1.97 -1.35 0.00 0.00 0.00 175.76 177.41 1snr h PRO 199 N 3.60 0.97 -0.09 0.00 0.11 -1.97 -2.28 132.00 132.35 1snr h PRO 199 Ca -0.43 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1snr h PRO 199 Cb 1.20 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1snr h PRO 199 CO 0.46 0.64 -0.16 0.78 -0.21 0.00 0.00 178.00 179.52 1snr h GLY 200 N 1.00 0.16 2.00 -0.55 0.00 -1.99 -2.51 103.07 101.18 1snr h GLY 200 Ca 0.29 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 1snr h GLY 200 CO -0.07 0.09 -0.11 -0.55 0.00 0.00 0.00 176.54 175.90 1snr h ASP 201 N 0.14 0.00 0.86 0.19 3.45 -1.83 -2.72 116.42 116.51 1snr h ASP 201 Ca 0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.49 1snr h ASP 201 Cb 0.37 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.14 1snr h ASP 201 CO 0.02 0.11 -0.49 0.00 -1.57 0.00 0.00 179.24 177.31 1snr n ALA 202 N -2.32 2.94 0.25 3.45 0.00 -0.95 -4.58 120.51 119.31 1snr n ALA 202 Ca -0.02 -0.24 -0.17 0.00 0.00 0.00 0.00 53.44 53.01 1snr n ALA 202 Cb 0.21 -1.21 -0.09 0.00 0.00 0.00 0.00 19.45 18.36 1snr n ALA 202 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1snr h TYR 203 N 0.00 -1.21 -0.51 0.00 5.03 -1.54 -0.46 116.97 118.28 1snr h TYR 203 Ca 0.00 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.30 1snr h TYR 203 Cb 0.68 0.47 -0.02 0.00 1.55 0.00 0.00 36.73 39.41 1snr h TYR 203 CO 0.00 -0.60 0.25 0.93 -1.32 0.00 0.00 178.16 177.42 1snr h GLU 204 N -0.88 0.74 -0.34 1.82 4.39 -1.81 -0.18 114.58 118.32 1snr h GLU 204 Ca -0.04 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 1snr h GLU 204 Cb 0.78 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 1snr h GLU 204 CO -0.08 0.61 -0.05 -0.44 -1.16 0.00 0.00 179.01 177.90 1snr h ASP 205 N 0.68 0.53 -0.23 1.42 3.45 -1.82 -2.63 116.42 117.82 1snr h ASP 205 Ca 0.18 -0.12 -0.17 0.00 0.43 0.00 0.00 57.03 57.35 1snr h ASP 205 Cb 0.12 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 1snr h ASP 205 CO -0.02 0.63 -0.51 0.74 -1.57 0.00 0.00 179.24 178.51 1snr h THR 206 N 0.53 1.30 -0.90 0.35 2.02 -0.34 -2.89 112.91 112.97 1snr h THR 206 Ca 0.11 -1.72 0.04 0.00 0.77 0.00 0.00 66.41 65.61 1snr h THR 206 Cb 0.41 1.78 -0.05 0.00 -1.74 0.00 0.00 68.15 68.55 1snr h THR 206 CO 0.02 0.55 0.59 0.58 0.37 0.00 0.00 175.52 177.63 1snr h VAL 207 N 0.49 1.13 -0.52 3.16 2.07 -0.89 0.10 116.25 121.78 1snr h VAL 207 Ca 0.00 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1snr h VAL 207 Cb 1.12 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1snr h VAL 207 CO 0.11 0.20 0.34 0.50 0.02 0.00 0.00 177.57 178.74 1snr h LYS 208 N 1.09 0.67 -0.53 1.57 3.64 -1.34 -1.34 116.57 120.32 1snr h LYS 208 Ca 0.37 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.63 1snr h LYS 208 Cb 0.07 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1snr h LYS 208 CO -0.12 0.44 0.04 0.28 -2.27 0.00 0.00 179.45 177.82 1snr h VAL 209 N 0.69 1.26 -0.91 2.00 2.07 -1.13 -2.93 116.25 117.31 1snr h VAL 209 Ca 0.19 -1.04 0.11 0.00 0.82 0.00 0.00 66.70 66.78 1snr h VAL 209 Cb -0.07 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 30.51 1snr h VAL 209 CO -0.05 0.37 0.54 0.24 0.02 0.00 0.00 177.57 178.69 1snr h MET 210 N 0.80 0.84 0.00 1.57 2.86 -0.44 -1.81 114.93 118.74 1snr h MET 210 Ca 0.16 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1snr h MET 210 Cb 0.48 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1snr h MET 210 CO 0.02 0.55 0.00 0.00 1.06 0.00 0.00 176.91 178.54 1snr h ARG 211 N 0.86 0.00 0.00 1.72 3.08 -1.06 -0.47 114.38 118.51 1snr h ARG 211 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 1snr h ARG 211 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1snr h ARG 211 CO -0.27 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 178.88 1snr n THR 212 N -2.73 0.89 -1.94 2.04 -2.24 -0.68 -4.89 114.28 104.73 1snr n THR 212 Ca 0.01 0.25 -0.18 0.00 -2.27 0.00 0.00 64.05 61.86 1snr n THR 212 Cb 0.25 -1.13 -0.04 0.00 -2.10 0.00 0.00 70.33 67.30 1snr n THR 212 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1snr n LEU 213 N -2.04 -1.47 -3.87 3.22 4.77 -0.19 -4.94 117.00 112.48 1snr n LEU 213 Ca 0.02 0.26 -0.30 0.00 -0.03 0.00 0.00 56.01 55.96 1snr n LEU 213 Cb 0.21 -2.59 -0.15 0.00 -2.33 0.00 0.00 43.42 38.55 1snr n LEU 213 CO 0.18 -0.59 -0.34 -0.89 -1.33 0.00 0.00 177.39 174.42 1snr s THR 214 N -2.69 1.49 0.58 -5.08 2.01 -1.26 -5.11 115.64 105.58 1snr s THR 214 Ca 0.00 -1.72 -0.19 0.00 0.31 0.00 0.00 61.69 60.09 1snr s THR 214 Cb 0.00 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 1snr s THR 214 CO 0.00 -0.56 1.20 -2.16 -0.69 0.00 0.00 174.62 172.40 1snr s PRO 215 N 1.32 3.06 0.16 4.92 0.04 -1.26 -4.91 135.00 138.33 1snr s PRO 215 Ca 0.08 1.79 0.12 0.00 0.04 0.00 0.00 61.00 63.04 1snr s PRO 215 Cb -0.18 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1snr s PRO 215 CO -0.16 -1.13 1.22 1.79 0.04 0.00 0.00 177.00 178.76 1snr h THR 216 N 0.97 1.09 -3.68 1.26 1.35 -1.40 -3.46 112.91 109.04 1snr h THR 216 Ca -0.50 -2.63 -0.21 0.00 -0.55 0.00 0.00 66.41 62.51 1snr h THR 216 Cb 1.29 2.51 -0.26 0.00 -1.73 0.00 0.00 68.15 69.95 1snr h THR 216 CO 0.56 0.62 -0.67 -1.00 -0.25 0.00 0.00 175.52 174.78 1snr s HIS 217 N -2.84 0.00 -0.17 4.73 3.76 -1.14 -4.85 115.29 114.79 1snr s HIS 217 Ca 0.01 0.01 -0.02 0.00 -0.15 0.00 0.00 55.06 54.91 1snr s HIS 217 Cb 0.09 -0.02 0.05 0.00 1.11 0.00 0.00 32.58 33.81 1snr s HIS 217 CO 0.79 -0.06 0.02 0.08 -0.85 0.00 0.00 174.74 174.72 1snr s VAL 218 N -0.24 0.60 0.10 -0.90 1.01 -0.24 -1.13 120.40 119.61 1snr s VAL 218 Ca -0.03 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1snr s VAL 218 Cb -0.02 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1snr s VAL 218 CO -0.00 -0.08 -0.08 0.68 0.00 0.00 0.00 175.10 175.62 1snr s VAL 219 N 1.84 0.85 -0.09 2.92 -7.23 -0.21 -0.54 120.40 117.94 1snr s VAL 219 Ca 0.00 -1.82 -0.03 0.00 -1.81 0.00 0.00 61.98 58.33 1snr s VAL 219 Cb -0.16 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 1snr s VAL 219 CO -0.07 -0.72 0.03 -0.36 -0.31 0.00 0.00 175.10 173.66 1snr s PHE 220 N -3.07 3.24 -1.44 2.82 0.08 -1.26 -0.46 117.98 117.90 1snr s PHE 220 Ca 0.09 0.25 -0.09 0.00 0.12 0.00 0.00 56.93 57.30 1snr s PHE 220 Cb 0.01 -1.82 0.05 0.00 -0.57 0.00 0.00 43.02 40.69 1snr s PHE 220 CO -0.02 0.51 0.70 -1.71 -0.10 0.00 0.00 175.22 174.60 1snr n ASN 221 N 2.15 -4.89 0.00 1.36 4.05 -0.81 -3.12 115.26 114.00 1snr n ASN 221 Ca -0.19 -0.48 0.00 0.00 0.45 0.00 0.00 54.58 54.37 1snr n ASN 221 Cb 0.54 -3.96 0.00 0.00 1.23 0.00 0.00 39.78 37.59 1snr n ASN 221 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1snr n GLY 222 N -1.47 1.36 3.50 8.20 0.00 -1.00 -4.79 105.19 111.00 1snr n GLY 222 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1snr n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1snr s ALA 223 N -3.01 -1.75 0.21 4.61 0.00 -1.18 -4.60 121.76 116.03 1snr s ALA 223 Ca 0.00 1.11 -0.32 0.00 0.00 0.00 0.00 51.96 52.74 1snr s ALA 223 Cb 0.00 0.18 -0.13 0.00 0.00 0.00 0.00 23.12 23.16 1snr s ALA 223 CO 0.00 -0.50 1.53 0.28 0.00 0.00 0.00 175.76 177.07 1snr n VAL 224 N 0.41 0.43 -1.05 0.00 0.31 0.02 -1.99 118.33 116.47 1snr n VAL 224 Ca -0.16 -0.11 -0.02 0.00 -0.01 0.00 0.00 64.34 64.05 1snr n VAL 224 Cb 0.60 -1.60 -0.01 0.00 -0.91 0.00 0.00 33.84 31.92 1snr n VAL 224 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1snr n GLY 225 N 2.90 0.40 0.29 2.92 0.00 -1.26 -4.80 105.19 105.64 1snr n GLY 225 Ca 0.14 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.10 1snr n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1snr h ALA 226 N 0.00 1.66 -1.32 4.61 0.00 -1.60 -2.78 119.26 119.83 1snr h ALA 226 Ca -0.03 -0.08 -0.71 0.00 0.00 0.00 0.00 54.91 54.09 1snr h ALA 226 Cb 0.51 -0.13 -0.33 0.00 0.00 0.00 0.00 17.79 17.84 1snr h ALA 226 CO 0.05 0.28 0.41 1.28 0.00 0.00 0.00 179.25 181.27 1snr n LEU 227 N -4.42 6.44 -4.27 0.00 4.77 -1.26 -4.73 117.00 113.53 1snr n LEU 227 Ca 0.01 -5.13 -0.15 0.00 -0.03 0.00 0.00 56.01 50.72 1snr n LEU 227 Cb 0.12 -0.87 -0.10 0.00 -2.33 0.00 0.00 43.42 40.24 1snr n LEU 227 CO 0.36 2.00 -0.23 0.42 -1.33 0.00 0.00 177.39 178.61 1snr s THR 228 N -5.00 0.25 0.00 -5.08 -4.23 -1.05 -0.80 115.64 99.72 1snr s THR 228 Ca 0.48 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1snr s THR 228 Cb 0.37 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.66 1snr s THR 228 CO -0.28 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 1snr n GLY 229 N -0.40 2.80 0.00 3.99 0.00 -1.26 -1.43 105.19 108.88 1snr n GLY 229 Ca 0.01 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 45.82 1snr n GLY 229 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1snr n ASP 230 N 4.46 0.00 -0.98 1.61 5.68 -1.26 -1.74 116.55 124.32 1snr n ASP 230 Ca 0.00 0.20 0.08 0.00 -0.50 0.00 0.00 54.79 54.57 1snr n ASP 230 Cb 0.00 -0.35 0.24 0.00 -1.14 0.00 0.00 41.12 39.86 1snr n ASP 230 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1snr n LYS 231 N -1.35 2.98 -1.76 0.11 4.76 -0.52 -4.99 118.16 117.39 1snr n LYS 231 Ca 0.06 -2.41 -0.39 0.00 -2.87 0.00 0.00 58.31 52.70 1snr n LYS 231 Cb 0.14 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 31.86 1snr n LYS 231 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1snr s ALA 232 N -1.33 2.97 0.70 7.82 0.00 -0.71 -3.79 121.76 127.41 1snr s ALA 232 Ca 0.36 1.41 -0.13 0.00 0.00 0.00 0.00 51.96 53.60 1snr s ALA 232 Cb 0.21 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.76 1snr s ALA 232 CO 0.21 -1.35 1.10 -1.64 0.00 0.00 0.00 175.76 174.07 1snr s MET 233 N -2.76 2.64 0.09 0.00 -1.94 -0.44 -4.84 119.30 112.06 1snr s MET 233 Ca 0.68 1.26 0.05 0.00 -1.71 0.00 0.00 55.69 55.98 1snr s MET 233 Cb -0.42 -1.94 -0.03 0.00 2.01 0.00 0.00 34.83 34.44 1snr s MET 233 CO 0.52 -1.35 -0.14 0.95 -0.01 0.00 0.00 175.02 174.98 1snr s THR 234 N -2.61 1.19 0.38 2.05 -4.23 -1.26 -0.69 115.64 110.47 1snr s THR 234 Ca 0.64 -1.44 -0.13 0.00 -1.18 0.00 0.00 61.69 59.58 1snr s THR 234 Cb -0.18 -1.23 0.05 0.00 1.34 0.00 0.00 72.50 72.48 1snr s THR 234 CO 0.48 -0.28 0.74 0.00 -0.54 0.00 0.00 174.62 175.02 1snr s ALA 235 N -1.55 -0.48 0.10 3.99 0.00 -0.65 -4.93 121.76 118.23 1snr s ALA 235 Ca 0.02 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.12 1snr s ALA 235 Cb -0.08 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 1snr s ALA 235 CO 0.02 -0.95 -0.10 0.00 0.00 0.00 0.00 175.76 174.73 1snr s ALA 236 N -2.36 1.11 0.15 0.00 0.00 -1.26 -1.74 121.76 117.65 1snr s ALA 236 Ca 0.18 -1.17 -0.34 0.00 0.00 0.00 0.00 51.96 50.62 1snr s ALA 236 Cb -0.04 0.02 -0.15 0.00 0.00 0.00 0.00 23.12 22.95 1snr s ALA 236 CO 0.13 -0.03 1.47 0.28 0.00 0.00 0.00 175.76 177.61 1snr n VAL 237 N 0.60 0.17 0.00 0.00 0.31 -0.19 -1.01 118.33 118.21 1snr n VAL 237 Ca -0.16 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1snr n VAL 237 Cb 0.58 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 1snr n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1snr n GLY 238 N 2.92 2.20 3.74 2.92 0.00 0.60 -4.99 105.19 112.58 1snr n GLY 238 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1snr n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1snr s GLU 239 N -0.57 4.77 -0.30 1.61 2.12 -0.18 -4.76 118.70 121.40 1snr s GLU 239 Ca 0.00 1.51 -0.13 0.00 0.36 0.00 0.00 54.97 56.71 1snr s GLU 239 Cb 0.00 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 1snr s GLU 239 CO 0.00 0.37 0.27 0.15 -0.54 0.00 0.00 175.26 175.51 1snr s LYS 240 N -0.75 3.84 -0.08 4.30 1.02 -1.26 -1.57 119.74 125.23 1snr s LYS 240 Ca 0.44 -0.29 0.04 0.00 0.02 0.00 0.00 55.97 56.18 1snr s LYS 240 Cb -0.26 -3.70 -0.00 0.00 -0.52 0.00 0.00 37.83 33.35 1snr s LYS 240 CO 0.32 -0.30 -0.22 0.08 -0.92 0.00 0.00 175.35 174.31 1snr s VAL 241 N 1.88 1.91 -0.23 3.17 1.01 0.02 -0.13 120.40 128.04 1snr s VAL 241 Ca 0.10 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1snr s VAL 241 Cb -0.16 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1snr s VAL 241 CO 0.11 0.53 0.16 -0.22 0.00 0.00 0.00 175.10 175.68 1snr s LEU 242 N 0.26 4.14 -0.31 3.92 2.96 -0.60 -1.32 118.68 127.74 1snr s LEU 242 Ca -0.15 0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.89 1snr s LEU 242 Cb -0.17 -2.12 0.04 0.00 0.50 0.00 0.00 46.19 44.45 1snr s LEU 242 CO 0.07 0.09 0.03 -0.63 -1.32 0.00 0.00 176.35 174.59 1snr s ILE 243 N 0.89 3.28 -0.04 6.68 1.01 0.52 -1.18 121.20 132.36 1snr s ILE 243 Ca 0.08 -1.25 -0.20 0.00 0.00 0.00 0.00 60.65 59.28 1snr s ILE 243 Cb -0.13 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 1snr s ILE 243 CO 0.03 -0.10 0.58 -0.69 0.00 0.00 0.00 174.94 174.76 1snr s VAL 244 N 1.32 5.01 -0.05 2.92 1.01 -0.16 -1.30 120.40 129.15 1snr s VAL 244 Ca -0.03 1.20 0.01 0.00 0.00 0.00 0.00 61.98 63.15 1snr s VAL 244 Cb -0.19 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.29 1snr s VAL 244 CO 0.00 0.37 -0.07 -2.28 0.00 0.00 0.00 175.10 173.12 1snr s HIS 245 N 0.15 1.01 0.16 5.22 2.46 -0.24 -0.42 115.29 123.64 1snr s HIS 245 Ca 0.31 -0.33 0.08 0.00 0.47 0.00 0.00 55.06 55.58 1snr s HIS 245 Cb -0.17 -0.82 -0.04 0.00 -0.13 0.00 0.00 32.58 31.42 1snr s HIS 245 CO 0.16 -0.23 -0.17 -1.54 -2.47 0.00 0.00 174.74 170.48 1snr s SER 246 N 0.84 2.59 -0.25 9.88 1.04 -0.79 -0.71 113.70 126.30 1snr s SER 246 Ca -0.12 -0.87 -0.02 0.00 0.48 0.00 0.00 55.95 55.42 1snr s SER 246 Cb -0.15 -0.14 0.13 0.00 0.10 0.00 0.00 66.02 65.96 1snr s SER 246 CO 0.01 -0.06 0.36 -1.58 0.98 0.00 0.00 173.24 172.95 1snr s GLN 247 N -2.86 0.34 0.30 4.02 -0.44 -0.81 -1.46 119.66 118.76 1snr s GLN 247 Ca 0.15 0.43 0.26 0.00 -2.50 0.00 0.00 55.36 53.70 1snr s GLN 247 Cb -0.05 -0.55 0.76 0.00 -1.64 0.00 0.00 33.01 31.53 1snr s GLN 247 CO 0.06 -0.70 1.74 0.00 0.50 0.00 0.00 175.29 176.89 1snr h ALA 248 N 8.20 1.00 0.00 1.58 0.00 -1.81 0.14 119.26 128.37 1snr h ALA 248 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1snr h ALA 248 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1snr h ALA 248 CO 0.28 0.00 -0.52 -1.71 0.00 0.00 0.00 179.25 177.29 1snr n ASN 249 N -2.55 2.62 -3.76 0.00 5.15 -1.26 -3.06 115.26 112.41 1snr n ASN 249 Ca 0.04 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.89 1snr n ASN 249 Cb 0.42 0.48 -0.09 0.00 -0.53 0.00 0.00 39.78 40.06 1snr n ASN 249 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1snr s ARG 250 N -1.13 0.63 0.64 1.20 3.52 -1.26 -4.68 118.95 117.87 1snr s ARG 250 Ca 0.00 -0.06 -0.18 0.00 -0.13 0.00 0.00 55.73 55.36 1snr s ARG 250 Cb 0.00 0.28 -0.01 0.00 -1.56 0.00 0.00 34.95 33.66 1snr s ARG 250 CO 0.00 -0.16 1.25 -0.51 -0.81 0.00 0.00 175.30 175.06 1snr s ASP 251 N -1.05 4.73 0.13 -2.12 -0.00 -1.26 -3.48 116.67 113.62 1snr s ASP 251 Ca -0.11 2.49 -0.02 0.00 -0.00 0.00 0.00 52.55 54.90 1snr s ASP 251 Cb -0.05 -2.61 -0.03 0.00 -0.00 0.00 0.00 42.92 40.23 1snr s ASP 251 CO 0.04 -1.91 0.09 0.28 -0.00 0.00 0.00 175.17 173.66 1snr s THR 252 N -1.59 0.11 -0.42 -1.27 -1.32 -0.36 -4.83 115.64 105.96 1snr s THR 252 Ca 0.79 -1.81 0.04 0.00 -1.21 0.00 0.00 61.69 59.50 1snr s THR 252 Cb -0.33 -1.96 0.17 0.00 -1.51 0.00 0.00 72.50 68.87 1snr s THR 252 CO 0.38 -0.48 0.35 -2.11 -2.21 0.00 0.00 174.62 170.55 1snr n ARG 253 N -0.10 0.28 -1.96 7.08 1.85 -1.26 -1.37 116.66 121.19 1snr n ARG 253 Ca -0.07 -3.24 -0.36 0.00 -1.00 0.00 0.00 57.85 53.19 1snr n ARG 253 Cb 0.63 -1.68 0.04 0.00 -1.05 0.00 0.00 32.46 30.40 1snr n ARG 253 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 1snr s PRO 254 N -0.06 2.89 -0.24 2.89 0.02 -1.05 -0.55 135.00 138.90 1snr s PRO 254 Ca 0.33 1.86 -0.17 0.00 0.02 0.00 0.00 61.00 63.03 1snr s PRO 254 Cb 0.04 -1.91 0.07 0.00 0.02 0.00 0.00 34.50 32.72 1snr s PRO 254 CO -0.19 -1.28 0.62 -1.58 -0.33 0.00 0.00 177.00 174.23 1snr s HIS 255 N -1.58 -0.83 -0.42 6.54 2.46 -0.18 -1.69 115.29 119.59 1snr s HIS 255 Ca 0.78 1.80 -0.14 0.00 0.47 0.00 0.00 55.06 57.97 1snr s HIS 255 Cb -0.31 0.40 0.05 0.00 -0.13 0.00 0.00 32.58 32.58 1snr s HIS 255 CO 0.34 -0.41 0.30 -1.17 -2.47 0.00 0.00 174.74 171.34 1snr s LEU 256 N 1.04 5.19 -0.19 8.88 2.96 -1.26 -0.93 118.68 134.37 1snr s LEU 256 Ca -0.06 -1.13 -0.29 0.00 -0.22 0.00 0.00 54.13 52.43 1snr s LEU 256 Cb -0.05 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 1snr s LEU 256 CO -0.10 -0.51 1.50 -0.63 -1.32 0.00 0.00 176.35 175.29 1snr s ILE 257 N 1.61 3.87 0.00 6.68 1.01 0.11 -1.02 121.20 133.45 1snr s ILE 257 Ca 0.04 1.01 0.00 0.00 0.00 0.00 0.00 60.65 61.70 1snr s ILE 257 Cb -0.21 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1snr s ILE 257 CO 0.07 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.39 1snr n GLY 258 N 4.27 0.85 0.00 6.18 0.00 -1.26 -3.86 105.19 111.37 1snr n GLY 258 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1snr n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1snr n GLY 259 N -2.00 6.41 3.55 -0.02 0.00 -0.19 -5.00 105.19 107.94 1snr n GLY 259 Ca 0.00 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 1snr n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1snr s HIS 260 N 0.54 0.59 -0.49 1.61 0.09 -1.26 -4.73 115.29 111.64 1snr s HIS 260 Ca 0.00 -0.93 -0.13 0.00 -0.00 0.00 0.00 55.06 54.00 1snr s HIS 260 Cb 0.00 0.11 0.11 0.00 -0.00 0.00 0.00 32.58 32.80 1snr s HIS 260 CO 0.00 -1.04 0.41 0.20 -0.00 0.00 0.00 174.74 174.30 1snr s GLY 261 N -3.09 2.05 0.18 -2.22 0.00 -0.13 -4.74 107.32 99.37 1snr s GLY 261 Ca 0.25 -2.45 -0.12 0.00 0.00 0.00 0.00 44.72 42.40 1snr s GLY 261 CO 0.12 1.13 1.78 -0.55 0.00 0.00 0.00 173.10 175.58 1snr h ASP 262 N 8.66 0.78 -3.39 1.64 3.32 -1.40 0.09 116.42 126.11 1snr h ASP 262 Ca -0.26 -0.11 -0.47 0.00 0.02 0.00 0.00 57.03 56.22 1snr h ASP 262 Cb 1.09 -0.20 -0.34 0.00 0.22 0.00 0.00 39.33 40.10 1snr h ASP 262 CO 0.93 0.66 -0.79 -0.31 -1.72 0.00 0.00 179.24 178.01 1snr s TYR 263 N -5.80 1.10 -0.15 4.55 1.51 -0.94 -2.04 117.35 115.58 1snr s TYR 263 Ca -0.13 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.53 1snr s TYR 263 Cb 0.13 -0.90 0.04 0.00 -0.11 0.00 0.00 41.96 41.12 1snr s TYR 263 CO 0.78 -0.28 -0.05 0.08 -1.11 0.00 0.00 175.55 174.97 1snr s VAL 264 N 1.02 1.05 -1.14 0.71 1.01 0.61 -0.37 120.40 123.29 1snr s VAL 264 Ca -0.09 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 1snr s VAL 264 Cb -0.14 -1.20 0.11 0.00 0.00 0.00 0.00 36.38 35.15 1snr s VAL 264 CO -0.00 0.18 1.46 0.26 0.00 0.00 0.00 175.10 176.99 1snr s TRP 265 N 1.67 3.02 0.31 5.22 0.51 0.07 -0.74 118.94 129.00 1snr s TRP 265 Ca 0.02 -1.57 0.16 0.00 -2.12 0.00 0.00 56.10 52.59 1snr s TRP 265 Cb -0.15 -4.51 0.78 0.00 -0.81 0.00 0.00 33.47 28.78 1snr s TRP 265 CO -0.08 -1.64 1.81 0.00 -0.51 0.00 0.00 176.95 176.53 1snr h ALA 266 N 8.17 1.21 -0.00 0.98 0.00 -1.90 0.12 119.26 127.83 1snr h ALA 266 Ca 0.30 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1snr h ALA 266 Cb 0.93 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1snr h ALA 266 CO 1.31 0.46 -0.19 0.25 0.00 0.00 0.00 179.25 181.08 1snr n THR 267 N -3.83 0.00 -0.98 0.00 -2.24 -1.26 -4.56 114.28 101.41 1snr n THR 267 Ca -0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1snr n THR 267 Cb 0.44 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1snr n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1snr n GLY 268 N 1.43 0.88 3.35 3.38 0.00 -0.01 -4.76 105.19 109.47 1snr n GLY 268 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1snr n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1snr s LYS 269 N -0.02 3.45 0.31 1.61 -0.14 -1.26 -0.28 119.74 123.40 1snr s LYS 269 Ca 0.00 -0.60 0.26 0.00 -1.36 0.00 0.00 55.97 54.27 1snr s LYS 269 Cb 0.00 -3.00 0.90 0.00 -1.68 0.00 0.00 37.83 34.05 1snr s LYS 269 CO 0.00 -0.11 1.76 0.74 -0.76 0.00 0.00 175.35 176.99 1snr h PHE 270 N 7.83 0.00 -0.00 3.18 0.05 -1.76 -2.07 116.94 124.17 1snr h PHE 270 Ca -0.38 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.41 1snr h PHE 270 Cb 1.17 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.12 1snr h PHE 270 CO 0.58 0.00 -0.16 0.09 -0.18 0.00 0.00 178.31 178.65 1snr n ASN 271 N -2.47 0.31 -4.57 2.17 3.02 -1.26 -4.62 115.26 107.84 1snr n ASN 271 Ca 0.03 -0.16 -0.41 0.00 -0.03 0.00 0.00 54.58 54.01 1snr n ASN 271 Cb 0.35 -0.14 -0.07 0.00 -0.61 0.00 0.00 39.78 39.31 1snr n ASN 271 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1snr s THR 272 N -2.75 4.94 0.41 3.41 2.01 -0.78 -5.04 115.64 117.85 1snr s THR 272 Ca 0.21 0.58 -0.25 0.00 0.31 0.00 0.00 61.69 62.53 1snr s THR 272 Cb 0.19 -4.02 -0.10 0.00 0.01 0.00 0.00 72.50 68.58 1snr s THR 272 CO 0.54 -0.23 1.14 -2.65 -0.69 0.00 0.00 174.62 172.73 1snr n PRO 273 N 5.90 1.64 -2.45 4.92 -0.02 -1.26 -4.82 135.00 138.91 1snr n PRO 273 Ca -0.02 0.58 -0.36 0.00 -2.02 0.00 0.00 63.50 61.69 1snr n PRO 273 Cb 0.49 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 1snr n PRO 273 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1snr s PRO 274 N -2.07 3.85 0.70 0.52 0.04 -1.26 -4.92 135.00 131.85 1snr s PRO 274 Ca 0.62 1.52 -0.13 0.00 0.04 0.00 0.00 61.00 63.05 1snr s PRO 274 Cb -0.54 -2.28 0.02 0.00 0.04 0.00 0.00 34.50 31.73 1snr s PRO 274 CO 0.58 -0.42 1.09 -0.51 0.04 0.00 0.00 177.00 177.77 1snr s ASP 275 N -1.70 5.03 0.15 6.66 1.01 0.08 -4.77 116.67 123.14 1snr s ASP 275 Ca 0.64 1.84 0.07 0.00 0.71 0.00 0.00 52.55 55.82 1snr s ASP 275 Cb -0.22 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 1snr s ASP 275 CO 0.26 -1.68 -0.16 0.68 0.21 0.00 0.00 175.17 174.48 1snr s VAL 276 N -2.68 1.58 -1.54 -1.27 -7.23 -1.26 -0.28 120.40 107.71 1snr s VAL 276 Ca 0.63 -1.87 -0.04 0.00 -1.81 0.00 0.00 61.98 58.89 1snr s VAL 276 Cb -0.17 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 35.04 1snr s VAL 276 CO 0.48 -0.40 0.56 0.47 -0.31 0.00 0.00 175.10 175.90 1snr n ASP 277 N 0.31 -6.05 -4.75 4.85 10.43 -0.87 -4.92 116.55 115.54 1snr n ASP 277 Ca -0.13 -0.26 -0.40 0.00 2.57 0.00 0.00 54.79 56.56 1snr n ASP 277 Cb 0.57 -4.88 -0.05 0.00 1.84 0.00 0.00 41.12 38.61 1snr n ASP 277 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1snr s GLN 278 N -5.63 4.71 -0.19 -1.24 -1.52 0.00 -4.84 119.66 110.95 1snr s GLN 278 Ca 0.28 1.69 -0.23 0.00 -1.95 0.00 0.00 55.36 55.15 1snr s GLN 278 Cb -0.12 -3.23 -0.20 0.00 -0.22 0.00 0.00 33.01 29.23 1snr s GLN 278 CO 0.34 0.30 0.36 1.05 -0.25 0.00 0.00 175.29 177.09 1snr h GLU 279 N 4.08 0.00 -3.29 2.91 4.11 -1.91 -0.31 114.58 120.17 1snr h GLU 279 Ca -0.46 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 58.70 1snr h GLU 279 Cb 1.21 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.12 1snr h GLU 279 CO 0.68 0.96 -0.64 0.99 0.07 0.00 0.00 179.01 181.06 1snr s THR 280 N -2.31 -0.09 0.49 -1.06 2.01 -1.26 -4.36 115.64 109.06 1snr s THR 280 Ca -0.25 0.24 0.06 0.00 0.31 0.00 0.00 61.69 62.05 1snr s THR 280 Cb 0.03 -0.21 0.01 0.00 0.01 0.00 0.00 72.50 72.34 1snr s THR 280 CO 0.60 0.10 0.36 -1.66 -0.69 0.00 0.00 174.62 173.33 1snr s TRP 281 N 1.41 2.10 -0.05 4.92 -2.14 -0.68 -4.97 118.94 119.53 1snr s TRP 281 Ca -0.06 -0.70 -0.00 0.00 2.66 0.00 0.00 56.10 58.00 1snr s TRP 281 Cb -0.12 -2.00 0.03 0.00 -3.10 0.00 0.00 33.47 28.28 1snr s TRP 281 CO -0.05 -0.27 -0.01 0.12 -2.66 0.00 0.00 176.95 174.08 1snr s PHE 282 N -2.66 0.58 -0.19 1.66 5.36 -1.26 -2.52 117.98 118.96 1snr s PHE 282 Ca 0.39 -0.12 0.01 0.00 -0.96 0.00 0.00 56.93 56.25 1snr s PHE 282 Cb -0.01 -0.65 0.03 0.00 -0.34 0.00 0.00 43.02 42.05 1snr s PHE 282 CO 0.23 -0.23 -0.16 0.42 -1.46 0.00 0.00 175.22 174.03 1snr s ILE 283 N 1.40 1.89 0.51 3.12 1.01 -0.47 -4.74 121.20 123.93 1snr s ILE 283 Ca -0.04 -0.99 -0.20 0.00 0.00 0.00 0.00 60.65 59.43 1snr s ILE 283 Cb -0.13 -1.81 -0.07 0.00 0.01 0.00 0.00 42.46 40.45 1snr s ILE 283 CO -0.03 0.37 1.07 -2.16 0.00 0.00 0.00 174.94 174.20 1snr s PRO 284 N 1.32 3.60 0.17 2.79 0.04 -1.26 -1.23 135.00 140.44 1snr s PRO 284 Ca 0.02 1.44 -0.33 0.00 0.04 0.00 0.00 61.00 62.17 1snr s PRO 284 Cb -0.15 -2.06 -0.15 0.00 0.04 0.00 0.00 34.50 32.19 1snr s PRO 284 CO -0.10 -0.61 1.27 0.41 0.04 0.00 0.00 177.00 178.00 1snr n GLY 285 N -0.14 0.34 0.85 0.56 0.00 -1.23 -2.19 105.19 103.39 1snr n GLY 285 Ca 0.10 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1snr n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1snr n GLY 286 N 2.22 0.75 3.30 -0.02 0.00 0.47 -4.75 105.19 107.16 1snr n GLY 286 Ca 0.15 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 1snr n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1snr s ALA 287 N -2.00 0.03 0.17 4.61 0.00 -0.93 -4.75 121.76 118.89 1snr s ALA 287 Ca 0.00 -0.88 0.09 0.00 0.00 0.00 0.00 51.96 51.16 1snr s ALA 287 Cb 0.00 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 1snr s ALA 287 CO 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 175.76 175.06 1snr s ALA 288 N -3.96 2.97 0.26 0.00 0.00 -1.26 -1.92 121.76 117.85 1snr s ALA 288 Ca 0.16 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.69 1snr s ALA 288 Cb 0.04 -0.77 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 1snr s ALA 288 CO -0.02 0.48 0.11 0.20 0.00 0.00 0.00 175.76 176.53 1snr s GLY 289 N -2.79 1.76 -0.07 0.00 0.00 0.11 -3.07 107.32 103.27 1snr s GLY 289 Ca 0.25 -1.84 -0.06 0.00 0.00 0.00 0.00 44.72 43.08 1snr s GLY 289 CO 0.15 -1.58 0.17 0.00 0.00 0.00 0.00 173.10 171.84 1snr s ALA 290 N -3.77 -0.41 -0.03 3.20 0.00 -0.97 -1.08 121.76 118.70 1snr s ALA 290 Ca 0.38 0.51 0.04 0.00 0.00 0.00 0.00 51.96 52.89 1snr s ALA 290 Cb 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1snr s ALA 290 CO 0.14 -0.09 -0.15 0.00 0.00 0.00 0.00 175.76 175.66 1snr s ALA 291 N 0.21 1.35 -0.16 0.00 0.00 -0.42 -0.75 121.76 121.99 1snr s ALA 291 Ca -0.01 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 1snr s ALA 291 Cb -0.02 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 1snr s ALA 291 CO -0.01 0.27 -0.08 0.12 0.00 0.00 0.00 175.76 176.07 1snr s PHE 292 N -0.07 2.92 -0.02 0.00 2.19 0.50 -0.35 117.98 123.16 1snr s PHE 292 Ca -0.00 -0.55 -0.01 0.00 0.33 0.00 0.00 56.93 56.69 1snr s PHE 292 Cb -0.09 -1.94 0.01 0.00 -1.31 0.00 0.00 43.02 39.69 1snr s PHE 292 CO 0.01 -0.20 0.04 -0.47 1.83 0.00 0.00 175.22 176.43 1snr s TYR 293 N 0.56 -0.04 -0.34 10.12 5.04 -0.43 -1.09 117.35 131.16 1snr s TYR 293 Ca -0.05 0.11 -0.12 0.00 -2.44 0.00 0.00 57.07 54.57 1snr s TYR 293 Cb -0.15 -0.02 -0.01 0.00 0.35 0.00 0.00 41.96 42.13 1snr s TYR 293 CO 0.03 -0.03 0.23 0.99 -1.34 0.00 0.00 175.55 175.43 1snr s THR 294 N 0.17 5.12 0.41 4.34 2.01 -1.26 -0.80 115.64 125.63 1snr s THR 294 Ca -0.01 -0.32 -0.26 0.00 0.31 0.00 0.00 61.69 61.40 1snr s THR 294 Cb -0.02 -3.66 -0.09 0.00 0.01 0.00 0.00 72.50 68.74 1snr s THR 294 CO -0.00 -0.03 1.37 -0.36 -0.69 0.00 0.00 174.62 174.90 1snr s PHE 295 N 1.69 2.70 0.00 4.92 0.40 -0.61 -4.87 117.98 122.21 1snr s PHE 295 Ca 0.06 1.33 0.00 0.00 -0.60 0.00 0.00 56.93 57.72 1snr s PHE 295 Cb -0.18 -3.80 0.00 0.00 0.51 0.00 0.00 43.02 39.56 1snr s PHE 295 CO 0.09 -2.45 0.00 1.04 0.70 0.00 0.00 175.22 174.60 1snr n GLN 296 N 0.15 4.38 -4.26 0.44 1.13 -1.26 -0.30 117.38 117.65 1snr n GLN 296 Ca 0.03 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.92 1snr n GLN 296 Cb 0.42 -0.49 -0.14 0.00 0.11 0.00 0.00 30.24 30.15 1snr n GLN 296 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1snr s GLN 297 N -0.92 0.68 0.80 -1.09 -1.52 -1.26 -4.67 119.66 111.68 1snr s GLN 297 Ca 0.00 -0.48 -0.10 0.00 -1.95 0.00 0.00 55.36 52.83 1snr s GLN 297 Cb 0.00 -0.62 0.10 0.00 -0.22 0.00 0.00 33.01 32.26 1snr s GLN 297 CO 0.00 0.16 1.14 -1.25 -0.25 0.00 0.00 175.29 175.09 1snr s PRO 298 N -0.67 1.80 0.00 2.91 0.04 -1.26 -4.76 135.00 133.06 1snr s PRO 298 Ca 0.00 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 60.89 1snr s PRO 298 Cb -0.05 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1snr s PRO 298 CO 0.00 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 175.84 1snr n GLY 299 N -3.25 -0.07 3.78 0.56 0.00 0.37 -4.94 105.19 101.65 1snr n GLY 299 Ca 0.10 -2.25 -0.38 0.00 0.00 0.00 0.00 46.02 43.49 1snr n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1snr s ILE 300 N 0.00 5.05 0.16 -0.61 -1.09 -1.26 -1.07 121.20 122.38 1snr s ILE 300 Ca 0.00 0.95 0.10 0.00 -2.23 0.00 0.00 60.65 59.47 1snr s ILE 300 Cb 0.00 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 1snr s ILE 300 CO 0.00 0.46 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.66 1snr s TYR 301 N -0.33 2.41 -0.08 3.97 1.51 -0.16 -4.99 117.35 119.69 1snr s TYR 301 Ca 0.25 -0.32 -0.01 0.00 -1.01 0.00 0.00 57.07 55.99 1snr s TYR 301 Cb -0.16 -1.23 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1snr s TYR 301 CO 0.13 0.45 -0.03 0.00 -1.11 0.00 0.00 175.55 174.99 1snr s ALA 302 N -1.45 3.16 -0.20 3.71 0.00 -1.25 -1.01 121.76 124.72 1snr s ALA 302 Ca 0.20 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 1snr s ALA 302 Cb -0.09 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1snr s ALA 302 CO 0.10 0.58 -0.11 -0.47 0.00 0.00 0.00 175.76 175.86 1snr s TYR 303 N -0.86 2.88 0.12 0.00 5.04 0.29 0.06 117.35 124.87 1snr s TYR 303 Ca 0.13 -1.24 0.01 0.00 -2.44 0.00 0.00 57.07 53.53 1snr s TYR 303 Cb -0.11 -2.03 -0.04 0.00 0.35 0.00 0.00 41.96 40.13 1snr s TYR 303 CO 0.02 -0.66 -0.03 0.14 -1.34 0.00 0.00 175.55 173.68 1snr s VAL 304 N 1.40 0.55 -0.26 3.14 -7.23 -0.10 -0.49 120.40 117.40 1snr s VAL 304 Ca 0.05 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.01 1snr s VAL 304 Cb -0.14 -1.83 0.01 0.00 0.56 0.00 0.00 36.38 34.99 1snr s VAL 304 CO -0.07 -0.73 1.04 0.21 -0.31 0.00 0.00 175.10 175.24 1snr s ASN 305 N -3.06 7.04 -0.12 4.85 3.84 -1.00 -1.01 114.94 125.48 1snr s ASN 305 Ca 0.16 1.27 0.02 0.00 0.21 0.00 0.00 52.86 54.52 1snr s ASN 305 Cb 0.06 -2.54 0.22 0.00 -0.55 0.00 0.00 41.25 38.44 1snr s ASN 305 CO -0.02 -0.72 1.19 1.57 -2.79 0.00 0.00 177.10 176.32 1snr n HIS 306 N 6.46 0.88 -2.71 0.43 -0.00 0.29 -3.75 115.22 116.83 1snr n HIS 306 Ca 0.12 -0.75 -0.42 0.00 -0.00 0.00 0.00 57.72 56.66 1snr n HIS 306 Cb 0.46 -0.41 -0.03 0.00 -0.00 0.00 0.00 29.99 30.01 1snr n HIS 306 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1snr s ASN 307 N 0.16 6.35 0.55 0.26 3.84 -1.26 -4.92 114.94 119.92 1snr s ASN 307 Ca 0.17 -0.21 0.32 0.00 0.21 0.00 0.00 52.86 53.35 1snr s ASN 307 Cb 0.14 -2.50 1.51 0.00 -0.55 0.00 0.00 41.25 39.86 1snr s ASN 307 CO 0.04 -1.41 2.05 -0.07 -2.79 0.00 0.00 177.10 174.93 1snr h LEU 308 N 11.59 0.00 -0.14 3.21 3.38 -1.99 0.19 115.31 131.56 1snr h LEU 308 Ca -0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1snr h LEU 308 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1snr h LEU 308 CO 1.15 0.07 0.03 0.40 0.09 0.00 0.00 178.44 180.19 1snr h ILE 309 N 0.00 1.21 -0.89 1.22 2.04 -1.91 -0.50 117.51 118.69 1snr h ILE 309 Ca -0.00 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1snr h ILE 309 Cb 0.41 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 1snr h ILE 309 CO 0.01 0.20 0.58 -0.33 0.00 0.00 0.00 178.15 178.60 1snr h GLU 310 N 0.02 1.18 0.14 2.37 5.08 -1.37 0.41 114.58 122.41 1snr h GLU 310 Ca 0.04 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1snr h GLU 310 Cb 0.28 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1snr h GLU 310 CO 0.00 0.80 -0.07 0.00 -1.00 0.00 0.00 179.01 178.74 1snr h ALA 311 N 1.32 -0.19 0.00 3.43 0.00 -0.94 -1.51 119.26 121.37 1snr h ALA 311 Ca 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1snr h ALA 311 Cb -0.11 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1snr h ALA 311 CO -0.07 -0.49 -1.53 1.19 0.00 0.00 0.00 179.25 178.35 1snr n PHE 312 N -5.07 0.00 -0.09 0.00 3.01 -0.20 -2.13 117.46 112.98 1snr n PHE 312 Ca -0.09 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.19 1snr n PHE 312 Cb 0.18 -0.28 -0.13 0.00 -0.01 0.00 0.00 39.48 39.25 1snr n PHE 312 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1snr n GLU 313 N -1.91 0.68 -0.00 -1.08 -0.58 0.05 -4.72 120.64 113.07 1snr n GLU 313 Ca -0.02 0.18 0.10 0.00 -0.42 0.00 0.00 57.16 57.00 1snr n GLU 313 Cb 0.34 -1.58 -0.13 0.00 -0.57 0.00 0.00 31.44 29.51 1snr n GLU 313 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1snr n LEU 314 N -3.29 0.84 0.00 -4.62 4.77 -0.70 -5.00 117.00 109.00 1snr n LEU 314 Ca -0.41 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 1snr n LEU 314 Cb 1.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1snr n LEU 314 CO 0.32 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1snr n GLY 315 N 1.46 0.96 2.71 -0.72 0.00 -0.77 -1.08 105.19 107.76 1snr n GLY 315 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1snr n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1snr n ALA 316 N 0.00 5.96 -3.73 4.61 0.00 0.30 -4.30 120.51 123.34 1snr n ALA 316 Ca 0.00 -4.29 -0.14 0.00 0.00 0.00 0.00 53.44 49.01 1snr n ALA 316 Cb 0.00 -2.80 -0.14 0.00 0.00 0.00 0.00 19.45 16.51 1snr n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1snr s ALA 317 N -0.78 -0.33 0.35 0.00 0.00 -1.24 -2.36 121.76 117.39 1snr s ALA 317 Ca 0.44 0.75 0.09 0.00 0.00 0.00 0.00 51.96 53.24 1snr s ALA 317 Cb 0.13 -0.58 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 1snr s ALA 317 CO -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 175.76 175.47 1snr s ALA 318 N 1.42 3.14 0.11 0.00 0.00 0.35 -4.47 121.76 122.31 1snr s ALA 318 Ca -0.07 -2.06 0.10 0.00 0.00 0.00 0.00 51.96 49.93 1snr s ALA 318 Cb -0.11 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1snr s ALA 318 CO -0.07 0.03 -0.25 -1.01 0.00 0.00 0.00 175.76 174.47 1snr s HIS 319 N -2.58 2.13 -0.06 0.00 3.76 0.02 -0.55 115.29 118.01 1snr s HIS 319 Ca 0.34 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 54.89 1snr s HIS 319 Cb 0.02 -1.17 -0.02 0.00 1.11 0.00 0.00 32.58 32.52 1snr s HIS 319 CO 0.18 0.27 -0.15 -0.06 -0.85 0.00 0.00 174.74 174.14 1snr s PHE 320 N -1.06 2.70 -0.22 1.40 0.08 -0.18 -1.33 117.98 119.38 1snr s PHE 320 Ca 0.11 -0.25 -0.07 0.00 0.12 0.00 0.00 56.93 56.84 1snr s PHE 320 Cb -0.10 -1.66 -0.03 0.00 -0.57 0.00 0.00 43.02 40.66 1snr s PHE 320 CO 0.05 0.11 0.06 0.15 -0.10 0.00 0.00 175.22 175.49 1snr s LYS 321 N -0.55 3.76 -0.13 0.44 1.02 0.14 -0.99 119.74 123.43 1snr s LYS 321 Ca 0.08 -0.44 0.01 0.00 0.02 0.00 0.00 55.97 55.64 1snr s LYS 321 Cb -0.11 -3.25 0.02 0.00 -0.52 0.00 0.00 37.83 33.97 1snr s LYS 321 CO 0.01 0.01 -0.14 0.08 -0.92 0.00 0.00 175.35 174.39 1snr s VAL 322 N 1.08 1.50 0.54 3.17 1.01 -0.23 -1.64 120.40 125.83 1snr s VAL 322 Ca 0.04 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 1snr s VAL 322 Cb -0.14 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1snr s VAL 322 CO 0.03 0.45 0.91 0.42 0.00 0.00 0.00 175.10 176.90 1snr s THR 323 N 1.36 4.80 -2.18 3.92 -4.23 -0.71 -0.47 115.64 118.12 1snr s THR 323 Ca 0.02 0.58 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 1snr s THR 323 Cb -0.13 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.85 1snr s THR 323 CO -0.08 -0.97 0.00 0.61 -0.54 0.00 0.00 174.62 173.64 1snr n GLY 324 N -2.42 0.57 3.77 3.99 0.00 -1.26 -1.02 105.19 108.81 1snr n GLY 324 Ca 0.03 -2.13 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 1snr n GLY 324 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1snr s GLU 325 N -0.87 4.06 0.37 1.61 2.02 -1.26 -4.65 118.70 119.98 1snr s GLU 325 Ca 0.00 0.05 -0.27 0.00 0.02 0.00 0.00 54.97 54.77 1snr s GLU 325 Cb 0.00 -3.36 -0.10 0.00 0.10 0.00 0.00 34.13 30.78 1snr s GLU 325 CO 0.00 0.40 1.33 -0.46 0.02 0.00 0.00 175.26 176.55 1snr s TRP 326 N -0.01 2.88 -0.40 1.61 -0.11 -1.26 -4.44 118.94 117.21 1snr s TRP 326 Ca 0.16 1.38 -0.03 0.00 1.22 0.00 0.00 56.10 58.82 1snr s TRP 326 Cb -0.13 -3.73 0.10 0.00 -1.50 0.00 0.00 33.47 28.21 1snr s TRP 326 CO 0.04 -2.13 0.19 1.21 -4.62 0.00 0.00 176.95 171.64 1snr s ASN 327 N -0.55 5.24 0.38 5.86 3.84 -1.26 -4.96 114.94 123.49 1snr s ASN 327 Ca 0.53 -1.92 0.27 0.00 0.21 0.00 0.00 52.86 51.95 1snr s ASN 327 Cb -0.40 -1.83 0.91 0.00 -0.55 0.00 0.00 41.25 39.38 1snr s ASN 327 CO 0.53 -0.51 1.78 0.44 -2.79 0.00 0.00 177.10 176.55 1snr h ASP 328 N 8.06 0.00 -0.15 -4.21 5.19 -1.95 -2.38 116.42 120.98 1snr h ASP 328 Ca -0.14 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.26 1snr h ASP 328 Cb 1.05 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.55 1snr h ASP 328 CO 0.68 0.00 0.05 -0.78 -3.12 0.00 0.00 179.24 176.07 1snr h ASP 329 N 0.00 0.21 -0.47 6.45 -0.00 -2.02 -3.20 116.42 117.39 1snr h ASP 329 Ca 0.00 -0.20 -0.12 0.00 -0.00 0.00 0.00 57.03 56.71 1snr h ASP 329 Cb 0.64 -0.06 -0.02 0.00 -0.00 0.00 0.00 39.33 39.90 1snr h ASP 329 CO 0.00 0.35 -0.17 -0.07 -0.00 0.00 0.00 179.24 179.35 1snr h LEU 330 N 0.06 0.99 -7.00 2.28 3.38 -1.94 -3.45 115.31 109.62 1snr h LEU 330 Ca 0.05 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1snr h LEU 330 Cb 0.21 -0.27 -0.21 0.00 0.09 0.00 0.00 40.66 40.48 1snr h LEU 330 CO -0.00 1.13 0.07 -0.32 0.09 0.00 0.00 178.44 179.41 1snr s MET 331 N -4.74 0.76 -0.04 1.13 0.00 -0.92 -5.13 119.30 110.35 1snr s MET 331 Ca -0.11 1.13 -0.11 0.00 0.00 0.00 0.00 55.69 56.60 1snr s MET 331 Cb 0.13 0.25 0.02 0.00 0.00 0.00 0.00 34.83 35.23 1snr s MET 331 CO 0.86 -0.13 0.25 -0.08 0.00 0.00 0.00 175.02 175.93 1snr s THR 332 N 1.12 0.04 -0.68 10.11 -1.32 -1.25 -3.96 115.64 119.70 1snr s THR 332 Ca -0.06 -0.35 -0.24 0.00 -1.21 0.00 0.00 61.69 59.83 1snr s THR 332 Cb -0.05 -0.48 0.05 0.00 -1.51 0.00 0.00 72.50 70.51 1snr s THR 332 CO -0.11 -0.19 1.09 -0.55 -2.21 0.00 0.00 174.62 172.64 1snr s SER 333 N -0.77 6.18 0.18 8.08 0.15 -1.26 -4.88 113.70 121.37 1snr s SER 333 Ca -0.09 -0.74 -0.08 0.00 0.70 0.00 0.00 55.95 55.74 1snr s SER 333 Cb -0.05 -2.48 0.07 0.00 -1.71 0.00 0.00 66.02 61.86 1snr s SER 333 CO 0.02 -1.59 1.60 0.58 1.20 0.00 0.00 173.24 175.06 1snr h VAL 334 N 6.00 1.27 -3.23 4.45 2.07 -2.02 -3.40 116.25 121.39 1snr h VAL 334 Ca -0.28 -1.28 -0.43 0.00 0.82 0.00 0.00 66.70 65.53 1snr h VAL 334 Cb 1.06 1.01 -0.39 0.00 -1.52 0.00 0.00 31.29 31.45 1snr h VAL 334 CO 1.22 0.45 -0.75 -0.22 0.02 0.00 0.00 177.57 178.28 1snr s LEU 335 N -9.15 0.43 0.64 2.57 2.96 -1.26 -5.14 118.68 109.73 1snr s LEU 335 Ca -0.11 -0.23 -0.16 0.00 -0.22 0.00 0.00 54.13 53.41 1snr s LEU 335 Cb 0.13 -0.30 -0.01 0.00 0.50 0.00 0.00 46.19 46.51 1snr s LEU 335 CO 0.86 -0.26 1.15 0.00 -1.32 0.00 0.00 176.35 176.77 1snr s ALA 336 N 2.07 2.46 -0.24 5.97 0.00 -1.26 -4.87 121.76 125.90 1snr s ALA 336 Ca 0.04 0.73 -0.42 0.00 0.00 0.00 0.00 51.96 52.31 1snr s ALA 336 Cb -0.14 -3.37 -0.18 0.00 0.00 0.00 0.00 23.12 19.43 1snr s ALA 336 CO -0.06 -1.26 1.46 -2.30 0.00 0.00 0.00 175.76 173.61 1snr n PRO 337 N -2.12 0.44 -3.54 0.00 -0.02 -1.26 -4.91 135.00 123.59 1snr n PRO 337 Ca 0.12 0.16 -0.10 0.00 -2.02 0.00 0.00 63.50 61.65 1snr n PRO 337 Cb 0.51 -1.72 -0.02 0.00 -0.02 0.00 0.00 33.50 32.25 1snr n PRO 337 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1snr s SER 338 N 2.01 -0.47 0.39 2.55 1.04 -1.26 -5.15 113.70 112.80 1snr s SER 338 Ca 0.97 -0.16 -0.27 0.00 0.48 0.00 0.00 55.95 56.96 1snr s SER 338 Cb -1.26 0.62 -0.11 0.00 0.10 0.00 0.00 66.02 65.37 1snr s SER 338 CO 0.67 -1.05 1.44 0.61 0.98 0.00 0.00 173.24 175.89 1snr n GLY 339 N -0.39 1.04 0.00 7.32 0.00 -1.26 -5.25 105.19 106.64 1snr n GLY 339 Ca -0.13 0.29 0.09 0.00 0.00 0.00 0.00 46.02 46.26 1snr n GLY 339 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02