#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nie h ILE 9 N 0.00 1.20 -0.80 5.18 1.08 -2.04 -2.15 117.51 119.99 1nie h ILE 9 Ca 0.00 -0.78 0.18 0.00 -0.39 0.00 0.00 64.86 63.87 1nie h ILE 9 Cb 0.00 0.86 -0.11 0.00 -3.07 0.00 0.00 36.82 34.50 1nie h ILE 9 CO 0.00 0.27 0.26 0.77 -0.69 0.00 0.00 178.15 178.77 1nie h SER 10 N 0.59 0.14 0.94 1.72 4.64 -2.06 -1.06 113.55 118.46 1nie h SER 10 Ca 0.13 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1nie h SER 10 Cb 0.31 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1nie h SER 10 CO 0.01 -0.01 0.00 0.41 -0.87 0.00 0.00 176.83 176.37 1nie n THR 11 N -5.10 0.16 -2.72 2.95 -1.04 -0.82 -4.89 114.28 102.82 1nie n THR 11 Ca 0.17 0.03 -0.33 0.00 -2.04 0.00 0.00 64.05 61.88 1nie n THR 11 Cb 0.52 -0.58 -0.06 0.00 -1.82 0.00 0.00 70.33 68.39 1nie n THR 11 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1nie s LEU 12 N -3.05 3.88 0.63 -4.42 1.43 -0.40 -5.04 118.68 111.71 1nie s LEU 12 Ca 0.13 1.70 -0.14 0.00 -1.03 0.00 0.00 54.13 54.79 1nie s LEU 12 Cb 0.17 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.84 1nie s LEU 12 CO 0.49 -0.45 1.06 -2.16 0.23 0.00 0.00 176.35 175.53 1nie s PRO 13 N -3.32 3.15 0.01 1.29 0.04 -1.26 -4.85 135.00 130.06 1nie s PRO 13 Ca 0.62 1.14 0.03 0.00 0.04 0.00 0.00 61.00 62.84 1nie s PRO 13 Cb -0.10 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1nie s PRO 13 CO 0.16 -0.94 -0.10 1.03 0.04 0.00 0.00 177.00 177.19 1nie s ARG 14 N -4.37 0.76 -0.03 4.56 0.52 -1.26 -1.44 118.95 117.69 1nie s ARG 14 Ca 0.62 -0.45 0.01 0.00 -0.52 0.00 0.00 55.73 55.39 1nie s ARG 14 Cb -0.16 -0.72 0.01 0.00 0.52 0.00 0.00 34.95 34.60 1nie s ARG 14 CO 0.43 0.19 -0.05 0.54 0.02 0.00 0.00 175.30 176.43 1nie s VAL 15 N -0.45 0.48 -0.08 3.52 0.11 -0.88 -4.98 120.40 118.12 1nie s VAL 15 Ca 0.02 -0.16 -0.13 0.00 -2.93 0.00 0.00 61.98 58.78 1nie s VAL 15 Cb -0.05 -0.47 -0.05 0.00 -1.53 0.00 0.00 36.38 34.28 1nie s VAL 15 CO 0.00 0.18 0.32 -0.75 -3.33 0.00 0.00 175.10 171.52 1nie s LYS 16 N 0.47 3.94 -0.07 1.54 2.47 -1.26 -1.41 119.74 125.43 1nie s LYS 16 Ca -0.06 0.21 0.04 0.00 -1.56 0.00 0.00 55.97 54.59 1nie s LYS 16 Cb -0.09 -3.29 0.00 0.00 -1.46 0.00 0.00 37.83 32.99 1nie s LYS 16 CO -0.00 0.54 -0.18 0.54 0.16 0.00 0.00 175.35 176.41 1nie s VAL 17 N -0.50 1.55 -0.22 4.02 0.11 -0.69 -4.95 120.40 119.72 1nie s VAL 17 Ca 0.20 -0.74 -0.16 0.00 -2.93 0.00 0.00 61.98 58.35 1nie s VAL 17 Cb -0.14 -1.36 -0.04 0.00 -1.53 0.00 0.00 36.38 33.31 1nie s VAL 17 CO 0.08 0.45 0.40 -1.81 -3.33 0.00 0.00 175.10 170.89 1nie s ASP 18 N 0.35 6.40 0.63 3.54 1.01 -1.26 -4.58 116.67 122.75 1nie s ASP 18 Ca -0.12 0.47 -0.13 0.00 0.71 0.00 0.00 52.55 53.47 1nie s ASP 18 Cb -0.15 -2.23 -0.03 0.00 1.01 0.00 0.00 42.92 41.52 1nie s ASP 18 CO 0.05 -0.12 1.04 -0.76 0.21 0.00 0.00 175.17 175.59 1nie s LEU 19 N 1.55 3.33 0.24 1.23 2.01 -1.26 -4.85 118.68 120.93 1nie s LEU 19 Ca 0.18 1.63 0.10 0.00 0.01 0.00 0.00 54.13 56.06 1nie s LEU 19 Cb -0.15 -4.50 -0.05 0.00 0.01 0.00 0.00 46.19 41.50 1nie s LEU 19 CO 0.08 -1.13 -0.18 0.68 1.01 0.00 0.00 176.35 176.81 1nie s VAL 20 N -2.84 2.18 0.27 -1.59 -7.23 -1.26 -5.00 120.40 104.92 1nie s VAL 20 Ca 0.59 -2.27 -0.29 0.00 -1.81 0.00 0.00 61.98 58.20 1nie s VAL 20 Cb -0.13 -2.16 -0.10 0.00 0.56 0.00 0.00 36.38 34.55 1nie s VAL 20 CO 0.46 -0.43 1.26 -0.54 -0.31 0.00 0.00 175.10 175.55 1nie s LYS 21 N -3.41 4.43 0.74 4.82 3.01 -1.26 -4.60 119.74 123.47 1nie s LYS 21 Ca 0.25 2.06 -0.15 0.00 -1.01 0.00 0.00 55.97 57.13 1nie s LYS 21 Cb -0.04 -3.14 0.04 0.00 -1.01 0.00 0.00 37.83 33.68 1nie s LYS 21 CO 0.11 -0.13 1.21 -2.14 0.51 0.00 0.00 175.35 174.91 1nie s PRO 22 N -1.06 2.08 0.00 -1.68 0.02 -1.26 -2.02 135.00 131.08 1nie s PRO 22 Ca 0.51 1.76 0.27 0.00 0.02 0.00 0.00 61.00 63.55 1nie s PRO 22 Cb -0.37 -1.83 1.59 0.00 0.02 0.00 0.00 34.50 33.91 1nie s PRO 22 CO 0.45 -1.88 1.98 -0.35 -0.33 0.00 0.00 177.00 176.87 1nie n PRO 23 N -2.79 0.93 -2.03 5.54 -0.04 -1.26 -5.04 135.00 130.30 1nie n PRO 23 Ca 0.13 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.28 1nie n PRO 23 Cb 0.50 -1.45 -0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1nie n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1nie s PHE 24 N -2.00 3.58 -0.01 0.54 0.08 -0.86 -0.82 117.98 118.49 1nie s PHE 24 Ca 0.40 1.34 0.05 0.00 0.12 0.00 0.00 56.93 58.84 1nie s PHE 24 Cb 0.18 -2.74 -0.01 0.00 -0.57 0.00 0.00 43.02 39.88 1nie s PHE 24 CO 0.31 -0.59 -0.16 0.08 -0.10 0.00 0.00 175.22 174.76 1nie s VAL 25 N -3.01 1.24 0.65 -0.44 1.01 -1.26 -4.57 120.40 114.02 1nie s VAL 25 Ca 0.56 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 1nie s VAL 25 Cb -0.11 -1.04 -0.00 0.00 0.00 0.00 0.00 36.38 35.23 1nie s VAL 25 CO 0.47 0.33 1.23 -1.38 0.00 0.00 0.00 175.10 175.75 1nie s HIS 26 N -0.40 2.20 0.42 5.22 -3.43 -1.26 -4.94 115.29 113.09 1nie s HIS 26 Ca 0.06 1.53 -0.26 0.00 -0.80 0.00 0.00 55.06 55.59 1nie s HIS 26 Cb -0.06 -3.53 -0.10 0.00 -1.43 0.00 0.00 32.58 27.46 1nie s HIS 26 CO -0.00 -2.53 1.37 0.00 -2.00 0.00 0.00 174.74 171.57 1nie n ALA 27 N -2.06 1.75 -3.76 -1.38 0.00 -1.26 -4.98 120.51 108.81 1nie n ALA 27 Ca 0.14 0.28 -0.05 0.00 0.00 0.00 0.00 53.44 53.82 1nie n ALA 27 Cb 0.49 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 17.59 1nie n ALA 27 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1nie s HIS 28 N -1.17 -0.16 -0.12 0.00 -3.43 -1.26 -5.05 115.29 104.09 1nie s HIS 28 Ca 0.59 -0.17 -0.03 0.00 -0.80 0.00 0.00 55.06 54.65 1nie s HIS 28 Cb -0.49 0.65 -0.03 0.00 -1.43 0.00 0.00 32.58 31.28 1nie s HIS 28 CO 0.59 -0.92 0.01 -0.51 -2.00 0.00 0.00 174.74 171.91 1nie s ASP 29 N -2.91 5.24 -0.05 7.38 1.01 -1.26 -5.03 116.67 121.05 1nie s ASP 29 Ca 0.11 0.09 -0.21 0.00 0.71 0.00 0.00 52.55 53.25 1nie s ASP 29 Cb -0.03 -1.63 -0.16 0.00 1.01 0.00 0.00 42.92 42.12 1nie s ASP 29 CO 0.03 0.31 0.91 1.56 0.21 0.00 0.00 175.17 178.18 1nie h GLN 30 N 5.70 -0.21 -5.56 8.23 4.20 -1.97 -3.42 115.11 122.08 1nie h GLN 30 Ca -0.45 0.01 -0.59 0.00 0.06 0.00 0.00 58.65 57.69 1nie h GLN 30 Cb 1.19 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 28.92 1nie h GLN 30 CO 0.59 0.21 -0.19 0.08 -0.67 0.00 0.00 178.83 178.85 1nie s VAL 31 N -3.51 5.21 0.12 -0.54 1.01 -1.26 -3.55 120.40 117.87 1nie s VAL 31 Ca -0.13 0.79 -0.31 0.00 0.00 0.00 0.00 61.98 62.33 1nie s VAL 31 Cb 0.01 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 1nie s VAL 31 CO 0.49 0.30 1.50 0.00 0.00 0.00 0.00 175.10 177.38 1nie s ALA 32 N 0.94 3.68 -0.29 5.51 0.00 -0.02 -4.91 121.76 126.68 1nie s ALA 32 Ca 0.22 1.22 0.22 0.00 0.00 0.00 0.00 51.96 53.62 1nie s ALA 32 Cb -0.15 -3.60 -0.11 0.00 0.00 0.00 0.00 23.12 19.27 1nie s ALA 32 CO 0.08 -0.77 0.85 1.63 0.00 0.00 0.00 175.76 177.55 1nie n LYS 33 N 4.27 0.52 -4.73 0.00 4.01 -1.26 -4.97 118.16 116.01 1nie n LYS 33 Ca 0.13 -0.02 -0.32 0.00 -0.51 0.00 0.00 58.31 57.58 1nie n LYS 33 Cb 0.40 -1.65 -0.07 0.00 -0.51 0.00 0.00 35.03 33.20 1nie n LYS 33 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1nie s THR 34 N -3.36 0.88 0.02 -0.18 -4.23 -1.26 -5.16 115.64 102.34 1nie s THR 34 Ca -0.02 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1nie s THR 34 Cb 0.13 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.91 1nie s THR 34 CO 0.84 0.00 0.02 0.61 -0.54 0.00 0.00 174.62 175.55 1nie n GLY 35 N -1.24 0.29 3.72 3.99 0.00 -1.26 -5.01 105.19 105.67 1nie n GLY 35 Ca -0.18 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 1nie n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nie n PRO 36 N -1.04 2.23 -4.27 1.61 -0.02 -1.26 -5.02 135.00 127.24 1nie n PRO 36 Ca 0.00 0.78 -0.15 0.00 -2.02 0.00 0.00 63.50 62.12 1nie n PRO 36 Cb 0.01 -2.41 -0.10 0.00 -0.02 0.00 0.00 33.50 30.98 1nie n PRO 36 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1nie s ARG 37 N -1.97 1.31 -0.32 -0.52 0.52 -1.26 -4.54 118.95 112.17 1nie s ARG 37 Ca 0.56 -1.70 -0.13 0.00 -0.52 0.00 0.00 55.73 53.94 1nie s ARG 37 Cb -0.54 -0.07 -0.03 0.00 0.52 0.00 0.00 34.95 34.83 1nie s ARG 37 CO 0.62 -0.32 0.25 0.08 0.02 0.00 0.00 175.30 175.95 1nie s VAL 38 N -3.89 5.27 -0.27 3.52 1.01 -0.52 -1.20 120.40 124.31 1nie s VAL 38 Ca 0.37 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.20 1nie s VAL 38 Cb 0.07 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 1nie s VAL 38 CO 0.12 0.05 0.16 -0.69 0.00 0.00 0.00 175.10 174.75 1nie s VAL 39 N 1.79 5.08 -0.19 2.92 1.01 0.36 -2.08 120.40 129.29 1nie s VAL 39 Ca 0.07 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 1nie s VAL 39 Cb -0.17 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1nie s VAL 39 CO 0.11 0.27 0.09 -1.61 0.00 0.00 0.00 175.10 173.96 1nie s GLU 40 N 1.71 4.06 0.15 2.72 2.02 -0.50 -0.79 118.70 128.08 1nie s GLU 40 Ca 0.07 -0.30 0.07 0.00 0.02 0.00 0.00 54.97 54.83 1nie s GLU 40 Cb -0.16 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 1nie s GLU 40 CO 0.09 0.29 -0.15 -0.06 0.02 0.00 0.00 175.26 175.45 1nie s PHE 41 N 0.35 1.56 -0.06 1.61 0.08 -0.17 -1.71 117.98 119.64 1nie s PHE 41 Ca 0.05 -0.56 0.01 0.00 0.12 0.00 0.00 56.93 56.55 1nie s PHE 41 Cb -0.12 -0.78 0.02 0.00 -0.57 0.00 0.00 43.02 41.57 1nie s PHE 41 CO -0.01 0.23 -0.05 0.99 -0.10 0.00 0.00 175.22 176.28 1nie s THR 42 N -2.41 0.66 -0.03 0.64 2.01 -1.26 -0.99 115.64 114.27 1nie s THR 42 Ca 0.14 -0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.02 1nie s THR 42 Cb -0.03 -0.68 -0.00 0.00 0.01 0.00 0.00 72.50 71.79 1nie s THR 42 CO 0.04 0.26 -0.15 -0.04 -0.69 0.00 0.00 174.62 174.05 1nie s MET 43 N 1.08 1.39 -0.16 4.92 -1.94 -0.33 -4.90 119.30 119.35 1nie s MET 43 Ca -0.08 -0.51 -0.03 0.00 -1.71 0.00 0.00 55.69 53.36 1nie s MET 43 Cb -0.14 -1.27 -0.02 0.00 2.01 0.00 0.00 34.83 35.41 1nie s MET 43 CO -0.01 0.24 -0.06 0.99 -0.01 0.00 0.00 175.02 176.17 1nie s THR 44 N -0.07 3.53 0.20 2.05 2.01 -1.26 -1.57 115.64 120.54 1nie s THR 44 Ca -0.00 -0.48 -0.30 0.00 0.31 0.00 0.00 61.69 61.22 1nie s THR 44 Cb -0.09 -2.54 -0.08 0.00 0.01 0.00 0.00 72.50 69.80 1nie s THR 44 CO 0.01 0.48 1.08 -0.63 -0.69 0.00 0.00 174.62 174.87 1nie s ILE 45 N 0.63 3.82 -0.17 1.82 1.01 -0.11 -0.33 121.20 127.86 1nie s ILE 45 Ca -0.04 1.64 -0.04 0.00 0.00 0.00 0.00 60.65 62.21 1nie s ILE 45 Cb -0.15 -4.05 0.06 0.00 0.01 0.00 0.00 42.46 38.33 1nie s ILE 45 CO 0.03 0.32 0.06 -0.70 0.00 0.00 0.00 174.94 174.64 1nie s GLU 46 N -0.67 0.34 -0.12 2.79 2.12 -0.63 -4.49 118.70 118.04 1nie s GLU 46 Ca 0.47 -0.22 -0.23 0.00 0.36 0.00 0.00 54.97 55.36 1nie s GLU 46 Cb -0.29 -1.90 -0.03 0.00 0.26 0.00 0.00 34.13 32.16 1nie s GLU 46 CO 0.36 -0.64 0.70 -1.21 -0.54 0.00 0.00 175.26 173.93 1nie s GLU 47 N 2.01 4.35 0.13 4.30 2.02 -1.26 -1.50 118.70 128.75 1nie s GLU 47 Ca 0.01 0.82 -0.21 0.00 0.02 0.00 0.00 54.97 55.60 1nie s GLU 47 Cb -0.16 -3.50 0.06 0.00 0.10 0.00 0.00 34.13 30.62 1nie s GLU 47 CO -0.08 -0.08 0.53 -1.59 0.02 0.00 0.00 175.26 174.05 1nie s LYS 48 N 1.34 1.18 0.32 1.61 -2.85 -0.08 -4.99 119.74 116.27 1nie s LYS 48 Ca 0.35 -0.49 -0.26 0.00 -1.00 0.00 0.00 55.97 54.57 1nie s LYS 48 Cb -0.17 0.54 -0.10 0.00 -2.06 0.00 0.00 37.83 36.04 1nie s LYS 48 CO 0.15 -0.48 0.97 0.15 0.10 0.00 0.00 175.35 176.24 1nie s LYS 49 N -3.51 4.54 -0.05 1.78 1.02 -1.26 0.32 119.74 122.58 1nie s LYS 49 Ca 0.00 1.41 -0.02 0.00 0.02 0.00 0.00 55.97 57.39 1nie s LYS 49 Cb -0.00 -2.83 0.03 0.00 -0.52 0.00 0.00 37.83 34.51 1nie s LYS 49 CO -0.10 0.23 0.11 -1.17 -0.92 0.00 0.00 175.35 173.49 1nie s LEU 50 N -2.02 0.96 -0.20 3.17 0.20 0.02 -4.86 118.68 115.95 1nie s LEU 50 Ca 0.50 0.23 -0.13 0.00 0.69 0.00 0.00 54.13 55.42 1nie s LEU 50 Cb -0.21 0.27 -0.05 0.00 -0.43 0.00 0.00 46.19 45.77 1nie s LEU 50 CO 0.27 -0.12 0.25 0.68 -0.29 0.00 0.00 176.35 177.13 1nie s VAL 51 N 0.94 5.32 -1.45 1.68 -7.23 -1.26 -0.87 120.40 117.53 1nie s VAL 51 Ca -0.07 0.41 0.20 0.00 -1.81 0.00 0.00 61.98 60.71 1nie s VAL 51 Cb -0.10 -3.58 -0.11 0.00 0.56 0.00 0.00 36.38 33.15 1nie s VAL 51 CO -0.04 0.36 0.94 2.30 -0.31 0.00 0.00 175.10 178.35 1nie n ILE 52 N 3.92 0.00 -4.15 -0.62 -5.35 0.24 -4.89 119.36 108.52 1nie n ILE 52 Ca -0.13 -0.16 -0.16 0.00 -0.27 0.00 0.00 62.75 62.03 1nie n ILE 52 Cb 0.52 1.13 -0.05 0.00 -1.74 0.00 0.00 39.64 39.49 1nie n ILE 52 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1nie s ASP 53 N -2.59 1.10 0.42 7.28 1.47 -1.26 -1.31 116.67 121.79 1nie s ASP 53 Ca 0.13 -1.56 0.11 0.00 1.18 0.00 0.00 52.55 52.41 1nie s ASP 53 Cb 0.16 0.62 0.89 0.00 -0.34 0.00 0.00 42.92 44.26 1nie s ASP 53 CO 0.66 -1.22 1.98 0.03 0.68 0.00 0.00 175.17 177.31 1nie h ARG 54 N 2.14 0.21 -0.00 2.11 3.08 -1.95 -2.45 114.38 117.50 1nie h ARG 54 Ca -0.28 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1nie h ARG 54 Cb 1.24 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1nie h ARG 54 CO 0.38 0.29 0.00 0.39 -1.07 0.00 0.00 179.97 179.97 1nie n GLU 55 N -4.34 1.11 -0.74 0.04 4.71 -1.26 -4.91 120.64 115.24 1nie n GLU 55 Ca -0.01 -0.16 0.00 0.00 -0.01 0.00 0.00 57.16 56.99 1nie n GLU 55 Cb 0.21 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.16 1nie n GLU 55 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1nie n GLY 56 N 1.02 0.56 3.71 0.62 0.00 -0.92 -5.01 105.19 105.16 1nie n GLY 56 Ca 0.23 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1nie n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nie s THR 57 N -2.00 2.23 -0.01 2.61 2.01 -1.26 -4.86 115.64 114.36 1nie s THR 57 Ca 0.00 0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.15 1nie s THR 57 Cb 0.00 -3.05 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 1nie s THR 57 CO 0.00 0.00 -0.23 -0.70 -0.69 0.00 0.00 174.62 173.00 1nie s GLU 58 N 1.59 2.15 0.20 4.92 2.12 -1.26 -0.59 118.70 127.83 1nie s GLU 58 Ca 0.76 -0.91 0.03 0.00 0.36 0.00 0.00 54.97 55.21 1nie s GLU 58 Cb -0.48 -2.11 -0.05 0.00 0.26 0.00 0.00 34.13 31.75 1nie s GLU 58 CO 0.33 0.57 -0.01 0.96 -0.54 0.00 0.00 175.26 176.57 1nie s ILE 59 N -0.68 0.90 -0.70 -3.70 -4.36 -0.05 -4.84 121.20 107.76 1nie s ILE 59 Ca 0.11 -2.02 -0.15 0.00 -0.26 0.00 0.00 60.65 58.33 1nie s ILE 59 Cb -0.10 -2.23 0.18 0.00 1.25 0.00 0.00 42.46 41.56 1nie s ILE 59 CO 0.00 -0.41 0.65 -1.00 0.24 0.00 0.00 174.94 174.43 1nie s HIS 60 N -3.51 3.53 0.41 1.37 3.76 -1.26 -0.80 115.29 118.79 1nie s HIS 60 Ca 0.26 -1.67 -0.22 0.00 -0.15 0.00 0.00 55.06 53.27 1nie s HIS 60 Cb 0.06 -3.82 -0.10 0.00 1.11 0.00 0.00 32.58 29.83 1nie s HIS 60 CO 0.06 -1.01 0.97 0.00 -0.85 0.00 0.00 174.74 173.92 1nie s ALA 61 N 0.83 3.06 -0.24 -1.40 0.00 0.15 -4.87 121.76 119.28 1nie s ALA 61 Ca 0.12 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1nie s ALA 61 Cb -0.19 -3.19 0.04 0.00 0.00 0.00 0.00 23.12 19.78 1nie s ALA 61 CO -0.04 0.03 -0.10 -1.64 0.00 0.00 0.00 175.76 174.02 1nie s MET 62 N -2.87 2.68 0.24 0.00 -1.94 -0.57 -0.90 119.30 115.96 1nie s MET 62 Ca 0.60 -1.07 0.09 0.00 -1.71 0.00 0.00 55.69 53.60 1nie s MET 62 Cb -0.14 -2.89 -0.05 0.00 2.01 0.00 0.00 34.83 33.76 1nie s MET 62 CO 0.18 -0.42 -0.15 0.95 -0.01 0.00 0.00 175.02 175.58 1nie s THR 63 N 1.25 1.96 -0.32 2.05 -4.23 -0.56 -1.94 115.64 113.85 1nie s THR 63 Ca -0.02 -2.26 -0.09 0.00 -1.18 0.00 0.00 61.69 58.14 1nie s THR 63 Cb -0.17 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1nie s THR 63 CO -0.06 -0.48 0.15 -0.36 -0.54 0.00 0.00 174.62 173.33 1nie s PHE 64 N -2.83 3.19 -1.23 3.99 0.08 -1.26 -1.61 117.98 118.33 1nie s PHE 64 Ca 0.26 -0.75 0.00 0.00 0.12 0.00 0.00 56.93 56.56 1nie s PHE 64 Cb -0.01 -2.35 0.00 0.00 -0.57 0.00 0.00 43.02 40.08 1nie s PHE 64 CO 0.10 -0.53 0.00 0.09 -0.10 0.00 0.00 175.22 174.79 1nie n ASN 65 N 4.96 -4.32 0.00 1.36 4.13 0.55 -3.33 115.26 118.61 1nie n ASN 65 Ca -0.13 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.36 1nie n ASN 65 Cb 0.48 -3.02 0.00 0.00 -1.54 0.00 0.00 39.78 35.70 1nie n ASN 65 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1nie n GLY 66 N -1.40 0.82 3.34 7.41 0.00 -1.26 -5.00 105.19 109.10 1nie n GLY 66 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1nie n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nie s SER 67 N -2.66 2.68 -0.22 1.61 1.04 -1.21 -5.02 113.70 109.91 1nie s SER 67 Ca 0.00 -0.89 0.01 0.00 0.48 0.00 0.00 55.95 55.55 1nie s SER 67 Cb 0.00 -0.16 0.06 0.00 0.10 0.00 0.00 66.02 66.02 1nie s SER 67 CO 0.00 -0.06 -0.06 -0.69 0.98 0.00 0.00 173.24 173.41 1nie s VAL 68 N -2.21 1.53 1.01 5.02 1.01 -1.26 -3.43 120.40 122.07 1nie s VAL 68 Ca 0.17 -1.15 -0.15 0.00 0.00 0.00 0.00 61.98 60.85 1nie s VAL 68 Cb -0.05 -1.75 0.20 0.00 0.00 0.00 0.00 36.38 34.78 1nie s VAL 68 CO 0.07 -0.03 1.18 -2.16 0.00 0.00 0.00 175.10 174.16 1nie s PRO 69 N 1.41 0.33 0.92 2.72 0.04 -1.26 -2.20 135.00 136.94 1nie s PRO 69 Ca -0.05 -0.01 -0.12 0.00 0.04 0.00 0.00 61.00 60.86 1nie s PRO 69 Cb -0.18 -1.77 0.14 0.00 0.04 0.00 0.00 34.50 32.73 1nie s PRO 69 CO -0.07 -2.69 1.09 0.20 0.04 0.00 0.00 177.00 175.58 1nie s GLY 70 N -4.24 1.60 0.66 0.56 0.00 0.19 -4.76 107.32 101.33 1nie s GLY 70 Ca 0.69 -0.18 -0.17 0.00 0.00 0.00 0.00 44.72 45.06 1nie s GLY 70 CO 0.54 0.34 1.20 2.56 0.00 0.00 0.00 173.10 177.74 1nie s PRO 71 N -4.98 2.59 -0.12 2.90 0.04 -1.26 -4.47 135.00 129.70 1nie s PRO 71 Ca 0.64 1.77 -0.26 0.00 0.04 0.00 0.00 61.00 63.19 1nie s PRO 71 Cb -0.18 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 1nie s PRO 71 CO 0.57 -1.49 0.85 -1.17 0.04 0.00 0.00 177.00 175.79 1nie s LEU 72 N -4.61 4.24 -0.10 -3.56 2.96 -1.26 -4.22 118.68 112.14 1nie s LEU 72 Ca 0.76 1.29 -0.10 0.00 -0.22 0.00 0.00 54.13 55.86 1nie s LEU 72 Cb -0.29 -3.29 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 1nie s LEU 72 CO 0.39 -0.33 0.22 -0.04 -1.32 0.00 0.00 176.35 175.28 1nie s MET 73 N 1.69 3.67 -0.13 1.98 -1.94 -0.99 -4.59 119.30 118.98 1nie s MET 73 Ca 0.41 0.03 -0.00 0.00 -1.71 0.00 0.00 55.69 54.42 1nie s MET 73 Cb -0.18 -3.23 0.02 0.00 2.01 0.00 0.00 34.83 33.46 1nie s MET 73 CO 0.16 0.69 -0.11 0.08 -0.01 0.00 0.00 175.02 175.83 1nie s VAL 74 N -0.86 1.32 0.35 -6.03 1.01 -1.26 0.22 120.40 115.15 1nie s VAL 74 Ca 0.17 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.73 1nie s VAL 74 Cb -0.13 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1nie s VAL 74 CO 0.06 0.42 0.20 1.33 0.00 0.00 0.00 175.10 177.10 1nie n VAL 75 N 4.85 0.00 -4.37 2.92 0.24 -0.29 -4.99 118.33 116.68 1nie n VAL 75 Ca -0.15 -2.26 -0.26 0.00 -2.04 0.00 0.00 64.34 59.63 1nie n VAL 75 Cb 0.50 0.96 -0.10 0.00 -1.47 0.00 0.00 33.84 33.73 1nie n VAL 75 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1nie s HIS 76 N -3.12 2.44 0.02 6.34 3.76 -1.26 -1.32 115.29 122.14 1nie s HIS 76 Ca 0.28 -0.30 -0.36 0.00 -0.15 0.00 0.00 55.06 54.53 1nie s HIS 76 Cb 0.01 -1.18 -0.15 0.00 1.11 0.00 0.00 32.58 32.38 1nie s HIS 76 CO 0.20 0.54 1.57 -1.91 -0.85 0.00 0.00 174.74 174.29 1nie n GLU 77 N -0.00 1.63 -0.95 1.40 2.13 -0.07 -1.80 120.64 122.99 1nie n GLU 77 Ca -0.11 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.31 1nie n GLU 77 Cb 0.56 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.96 1nie n GLU 77 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1nie n ASN 78 N 3.95 -2.14 -4.89 4.31 5.03 0.11 -4.78 115.26 116.84 1nie n ASN 78 Ca 0.20 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.36 1nie n ASN 78 Cb 0.23 -0.36 0.06 0.00 -1.02 0.00 0.00 39.78 38.69 1nie n ASN 78 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1nie s ASP 79 N -2.25 5.12 -0.12 6.41 1.01 -0.74 -4.69 116.67 121.41 1nie s ASP 79 Ca 0.00 0.97 -0.02 0.00 0.71 0.00 0.00 52.55 54.21 1nie s ASP 79 Cb 0.00 -1.67 -0.03 0.00 1.01 0.00 0.00 42.92 42.23 1nie s ASP 79 CO 0.00 -1.53 -0.04 -0.31 0.21 0.00 0.00 175.17 173.50 1nie s TYR 80 N -3.41 3.02 -0.25 4.23 1.51 -0.34 -1.81 117.35 120.29 1nie s TYR 80 Ca 0.59 -0.13 -0.11 0.00 -1.01 0.00 0.00 57.07 56.42 1nie s TYR 80 Cb -0.11 -1.85 -0.05 0.00 -0.11 0.00 0.00 41.96 39.84 1nie s TYR 80 CO 0.50 0.15 0.19 0.08 -1.11 0.00 0.00 175.55 175.37 1nie s VAL 81 N -0.19 5.33 -0.24 0.71 1.01 0.22 -0.49 120.40 126.75 1nie s VAL 81 Ca 0.03 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1nie s VAL 81 Cb -0.13 -3.53 0.05 0.00 0.00 0.00 0.00 36.38 32.77 1nie s VAL 81 CO 0.02 0.31 -0.12 -0.70 0.00 0.00 0.00 175.10 174.61 1nie s GLU 82 N 1.31 2.51 -0.15 2.72 2.12 0.03 -1.46 118.70 125.79 1nie s GLU 82 Ca 0.08 -1.17 -0.01 0.00 0.36 0.00 0.00 54.97 54.23 1nie s GLU 82 Cb -0.14 -2.83 -0.02 0.00 0.26 0.00 0.00 34.13 31.40 1nie s GLU 82 CO 0.07 -0.46 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.06 1nie s LEU 83 N 1.18 2.86 -0.30 2.70 2.96 -0.04 -1.00 118.68 127.05 1nie s LEU 83 Ca -0.04 -0.29 -0.12 0.00 -0.22 0.00 0.00 54.13 53.46 1nie s LEU 83 Cb -0.18 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1nie s LEU 83 CO -0.07 0.15 0.22 -0.60 -1.32 0.00 0.00 176.35 174.73 1nie s ARG 84 N 0.47 3.82 -0.20 1.98 3.52 -0.16 -1.61 118.95 126.77 1nie s ARG 84 Ca -0.07 -0.38 -0.03 0.00 -0.13 0.00 0.00 55.73 55.11 1nie s ARG 84 Cb -0.15 -3.70 -0.01 0.00 -1.56 0.00 0.00 34.95 29.53 1nie s ARG 84 CO 0.04 -0.27 -0.07 -1.17 -0.81 0.00 0.00 175.30 173.02 1nie s LEU 85 N 1.78 2.80 -0.13 -0.88 2.96 0.01 -1.19 118.68 124.03 1nie s LEU 85 Ca 0.08 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1nie s LEU 85 Cb -0.16 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 1nie s LEU 85 CO 0.11 0.01 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.36 1nie s ILE 86 N 1.31 2.77 -0.52 6.68 1.01 -0.61 -1.42 121.20 130.42 1nie s ILE 86 Ca 0.04 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1nie s ILE 86 Cb -0.14 -2.15 0.14 0.00 0.01 0.00 0.00 42.46 40.31 1nie s ILE 86 CO -0.03 0.53 0.29 0.21 0.00 0.00 0.00 174.94 175.94 1nie s ASN 87 N 0.49 4.82 0.73 3.58 2.47 -0.31 -0.93 114.94 125.79 1nie s ASN 87 Ca -0.11 -2.74 -0.16 0.00 0.42 0.00 0.00 52.86 50.28 1nie s ASN 87 Cb -0.16 -1.74 0.02 0.00 -1.45 0.00 0.00 41.25 37.92 1nie s ASN 87 CO 0.05 -0.34 1.10 -0.81 -3.72 0.00 0.00 177.10 173.39 1nie n PRO 88 N 3.56 0.56 0.00 0.43 -0.04 -1.26 0.88 135.00 139.12 1nie n PRO 88 Ca 0.05 0.25 0.02 0.00 -0.04 0.00 0.00 63.50 63.78 1nie n PRO 88 Cb 0.36 -2.35 0.10 0.00 -0.04 0.00 0.00 33.50 31.57 1nie n PRO 88 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1nie n ASP 89 N -2.16 0.00 0.08 3.54 5.75 -1.26 -1.55 116.55 120.95 1nie n ASP 89 Ca 0.14 0.49 0.13 0.00 -0.01 0.00 0.00 54.79 55.53 1nie n ASP 89 Cb 0.49 -0.49 0.46 0.00 -1.03 0.00 0.00 41.12 40.56 1nie n ASP 89 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1nie n THR 90 N -1.49 0.48 -2.31 2.12 -2.24 -1.26 -4.81 114.28 104.77 1nie n THR 90 Ca 0.01 -0.16 -0.27 0.00 -2.27 0.00 0.00 64.05 61.37 1nie n THR 90 Cb 0.05 -0.62 0.04 0.00 -2.10 0.00 0.00 70.33 67.70 1nie n THR 90 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1nie s ASN 91 N -4.08 5.45 -0.00 3.42 0.01 -0.59 -4.99 114.94 114.16 1nie s ASN 91 Ca 0.11 0.71 0.07 0.00 -0.71 0.00 0.00 52.86 53.04 1nie s ASN 91 Cb 0.14 -1.63 -0.08 0.00 0.41 0.00 0.00 41.25 40.09 1nie s ASN 91 CO 0.55 -1.18 0.23 0.35 -1.51 0.00 0.00 177.10 175.54 1nie n THR 92 N -2.68 0.00 -4.44 1.60 -2.24 -1.26 -4.74 114.28 100.52 1nie n THR 92 Ca 0.05 -0.27 -0.24 0.00 -2.27 0.00 0.00 64.05 61.32 1nie n THR 92 Cb 0.58 0.76 -0.11 0.00 -2.10 0.00 0.00 70.33 69.46 1nie n THR 92 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1nie s LEU 93 N -2.74 2.54 0.25 3.22 1.43 -1.26 -4.90 118.68 117.22 1nie s LEU 93 Ca 0.01 -0.98 -0.30 0.00 -1.03 0.00 0.00 54.13 51.83 1nie s LEU 93 Cb 0.05 -1.06 -0.09 0.00 0.03 0.00 0.00 46.19 45.12 1nie s LEU 93 CO 0.27 0.04 1.02 -0.22 0.23 0.00 0.00 176.35 177.69 1nie s LEU 94 N -3.22 4.59 0.19 1.79 2.96 -1.26 -4.22 118.68 119.51 1nie s LEU 94 Ca 0.26 2.10 -0.01 0.00 -0.22 0.00 0.00 54.13 56.27 1nie s LEU 94 Cb -0.05 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1nie s LEU 94 CO 0.12 -0.01 0.10 -1.00 -1.32 0.00 0.00 176.35 174.25 1nie s HIS 95 N -1.09 1.13 0.03 5.38 3.76 -0.90 -4.92 115.29 118.69 1nie s HIS 95 Ca 0.43 -1.31 -0.01 0.00 -0.15 0.00 0.00 55.06 54.03 1nie s HIS 95 Cb -0.29 -0.59 0.00 0.00 1.11 0.00 0.00 32.58 32.82 1nie s HIS 95 CO 0.36 -0.56 0.06 0.27 -0.85 0.00 0.00 174.74 174.03 1nie n ASN 96 N -0.25 -0.19 -3.77 1.40 6.94 -1.26 -1.48 115.26 116.66 1nie n ASN 96 Ca -0.00 -1.14 -0.13 0.00 -0.02 0.00 0.00 54.58 53.29 1nie n ASN 96 Cb 0.65 0.32 -0.12 0.00 -2.36 0.00 0.00 39.78 38.27 1nie n ASN 96 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1nie s ILE 97 N -2.86 -0.02 -0.18 1.53 2.07 -1.26 -4.20 121.20 116.28 1nie s ILE 97 Ca 0.02 0.06 0.01 0.00 -1.41 0.00 0.00 60.65 59.32 1nie s ILE 97 Cb -0.00 -0.33 0.03 0.00 0.13 0.00 0.00 42.46 42.28 1nie s ILE 97 CO 0.01 0.02 -0.16 -0.62 -1.91 0.00 0.00 174.94 172.28 1nie s ASP 98 N 0.56 3.13 -0.29 4.50 2.15 0.61 -1.71 116.67 125.61 1nie s ASP 98 Ca -0.04 -0.69 -0.11 0.00 0.43 0.00 0.00 52.55 52.14 1nie s ASP 98 Cb -0.05 -1.36 -0.04 0.00 -0.30 0.00 0.00 42.92 41.17 1nie s ASP 98 CO -0.03 -0.05 0.19 -0.36 -0.17 0.00 0.00 175.17 174.75 1nie s PHE 99 N 1.35 3.21 -0.11 -5.34 0.08 -0.15 -0.80 117.98 116.22 1nie s PHE 99 Ca 0.03 -0.02 0.29 0.00 0.12 0.00 0.00 56.93 57.34 1nie s PHE 99 Cb -0.14 -2.40 1.33 0.00 -0.57 0.00 0.00 43.02 41.24 1nie s PHE 99 CO -0.11 -0.23 1.87 0.45 -0.10 0.00 0.00 175.22 177.09 1nie h HIS 100 N 8.39 0.00 0.00 0.36 3.86 -1.51 -2.22 115.15 124.03 1nie h HIS 100 Ca -0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 1nie h HIS 100 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1nie h HIS 100 CO 0.73 0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.52 1nie h ALA 101 N 2.10 1.00 -2.09 2.45 0.00 -1.92 -3.47 119.26 117.33 1nie h ALA 101 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 1nie h ALA 101 Cb 0.28 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.08 1nie h ALA 101 CO 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 179.25 179.06 1nie s ALA 102 N -3.22 3.83 -0.18 0.00 0.00 -0.84 -4.63 121.76 116.73 1nie s ALA 102 Ca 0.08 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1nie s ALA 102 Cb 0.10 -2.02 0.02 0.00 0.00 0.00 0.00 23.12 21.21 1nie s ALA 102 CO 0.58 -0.16 -0.18 0.99 0.00 0.00 0.00 175.76 176.99 1nie s THR 103 N -2.37 2.25 0.00 0.00 2.01 -1.26 -4.70 115.64 111.56 1nie s THR 103 Ca 0.44 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1nie s THR 103 Cb -0.10 -1.95 0.00 0.00 0.01 0.00 0.00 72.50 70.46 1nie s THR 103 CO 0.35 0.52 0.00 0.61 -0.69 0.00 0.00 174.62 175.42 1nie n GLY 104 N 4.61 2.28 4.34 4.40 0.00 -1.26 -4.92 105.19 114.63 1nie n GLY 104 Ca -0.21 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.51 1nie n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nie n ALA 105 N 1.25 -1.56 -3.64 4.61 0.00 -1.26 -0.68 120.51 119.23 1nie n ALA 105 Ca 0.00 -0.24 -0.25 0.00 0.00 0.00 0.00 53.44 52.95 1nie n ALA 105 Cb 0.00 -2.06 0.07 0.00 0.00 0.00 0.00 19.45 17.46 1nie n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nie n LEU 106 N -4.33 -3.29 0.00 0.00 4.32 -1.26 -1.37 117.00 111.07 1nie n LEU 106 Ca -0.08 -0.57 0.00 0.00 -0.02 0.00 0.00 56.01 55.34 1nie n LEU 106 Cb 0.56 -2.97 0.00 0.00 -1.62 0.00 0.00 43.42 39.39 1nie n LEU 106 CO 0.88 0.63 0.00 0.61 -1.22 0.00 0.00 177.39 178.30 1nie n GLY 107 N -1.97 0.37 0.00 -0.72 0.00 0.15 -2.33 105.19 100.68 1nie n GLY 107 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1nie n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nie n GLY 108 N -1.73 0.79 0.37 -0.02 0.00 -0.47 -0.98 105.19 103.14 1nie n GLY 108 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1nie n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nie h GLY 109 N 0.00 1.43 2.00 -0.02 0.00 -0.89 -1.15 103.07 104.44 1nie h GLY 109 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1nie h GLY 109 CO 0.00 0.28 0.00 0.00 0.00 0.00 0.00 176.54 176.82 1nie n ALA 110 N -2.38 1.88 0.71 3.60 0.00 -0.96 -3.31 120.51 120.05 1nie n ALA 110 Ca 0.15 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.71 1nie n ALA 110 Cb 0.23 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.25 1nie n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nie n LEU 111 N -2.22 1.50 -0.32 0.00 4.32 -0.48 -4.66 117.00 115.15 1nie n LEU 111 Ca 0.03 -0.73 0.08 0.00 -0.02 0.00 0.00 56.01 55.37 1nie n LEU 111 Cb 0.30 0.00 0.17 0.00 -1.62 0.00 0.00 43.42 42.27 1nie n LEU 111 CO 0.23 0.29 0.50 0.35 -1.22 0.00 0.00 177.39 177.54 1nie n THR 112 N -0.29 2.04 -2.23 -5.08 -2.24 -0.92 -4.96 114.28 100.60 1nie n THR 112 Ca 0.06 -2.64 -0.43 0.00 -2.27 0.00 0.00 64.05 58.77 1nie n THR 112 Cb 0.32 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 1nie n THR 112 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1nie s GLN 113 N -3.02 3.68 -0.09 -0.78 -0.21 -1.26 -4.26 119.66 113.71 1nie s GLN 113 Ca 0.35 1.31 0.02 0.00 0.02 0.00 0.00 55.36 57.06 1nie s GLN 113 Cb 0.32 -4.03 0.01 0.00 1.00 0.00 0.00 33.01 30.31 1nie s GLN 113 CO -0.01 -1.44 -0.17 0.14 -2.12 0.00 0.00 175.29 171.70 1nie s VAL 114 N 5.38 1.53 0.63 1.09 -7.23 -0.55 -5.00 120.40 116.25 1nie s VAL 114 Ca 0.67 -0.69 -0.05 0.00 -1.81 0.00 0.00 61.98 60.09 1nie s VAL 114 Cb -0.19 -1.37 0.03 0.00 0.56 0.00 0.00 36.38 35.41 1nie s VAL 114 CO 0.30 0.44 0.93 0.20 -0.31 0.00 0.00 175.10 176.66 1nie s ASN 115 N 0.72 5.26 0.25 4.85 0.01 -1.26 -2.11 114.94 122.66 1nie s ASN 115 Ca -0.12 0.54 -0.31 0.00 -0.71 0.00 0.00 52.86 52.25 1nie s ASN 115 Cb -0.16 -1.39 -0.13 0.00 0.41 0.00 0.00 41.25 39.98 1nie s ASN 115 CO 0.03 -1.27 1.50 -2.65 -1.51 0.00 0.00 177.10 173.19 1nie n PRO 116 N -2.68 2.28 -0.22 -0.60 -0.02 -1.26 -1.72 135.00 130.78 1nie n PRO 116 Ca 0.06 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1nie n PRO 116 Cb 0.59 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1nie n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nie n GLY 117 N 2.37 0.66 3.59 -1.23 0.00 0.25 -4.68 105.19 106.15 1nie n GLY 117 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1nie n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nie s GLU 118 N -0.78 1.96 0.19 1.61 2.02 -0.70 -4.88 118.70 118.12 1nie s GLU 118 Ca 0.00 -1.81 -0.07 0.00 0.02 0.00 0.00 54.97 53.11 1nie s GLU 118 Cb 0.00 -1.84 -0.02 0.00 0.10 0.00 0.00 34.13 32.37 1nie s GLU 118 CO 0.00 0.16 0.27 -1.83 0.02 0.00 0.00 175.26 173.88 1nie s GLU 119 N -3.66 1.25 0.16 1.61 -1.05 -1.26 -1.16 118.70 114.58 1nie s GLU 119 Ca 0.33 -1.34 -0.21 0.00 -0.15 0.00 0.00 54.97 53.60 1nie s GLU 119 Cb 0.00 0.36 0.06 0.00 -0.44 0.00 0.00 34.13 34.11 1nie s GLU 119 CO 0.18 -0.45 0.55 -0.08 0.95 0.00 0.00 175.26 176.41 1nie s THR 120 N -4.04 0.02 -0.11 1.83 -1.32 -0.51 -4.99 115.64 106.52 1nie s THR 120 Ca 0.25 -0.21 -0.01 0.00 -1.21 0.00 0.00 61.69 60.51 1nie s THR 120 Cb 0.04 -1.10 0.03 0.00 -1.51 0.00 0.00 72.50 69.95 1nie s THR 120 CO 0.06 -0.08 -0.04 -0.89 -2.21 0.00 0.00 174.62 171.45 1nie s THR 121 N -3.77 0.80 -0.00 5.08 2.01 -1.26 -0.81 115.64 117.69 1nie s THR 121 Ca 0.02 -0.20 0.04 0.00 0.31 0.00 0.00 61.69 61.86 1nie s THR 121 Cb -0.01 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 1nie s THR 121 CO -0.12 0.29 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.79 1nie s LEU 122 N 1.79 3.05 -0.02 4.42 2.96 -0.63 -4.97 118.68 125.28 1nie s LEU 122 Ca 0.04 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.81 1nie s LEU 122 Cb -0.13 -1.74 -0.00 0.00 0.50 0.00 0.00 46.19 44.82 1nie s LEU 122 CO -0.07 0.29 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.53 1nie s ARG 123 N -1.30 1.12 0.01 1.98 3.52 -1.26 -0.86 118.95 122.16 1nie s ARG 123 Ca 0.16 -0.43 -0.10 0.00 -0.13 0.00 0.00 55.73 55.23 1nie s ARG 123 Cb -0.11 -1.05 0.01 0.00 -1.56 0.00 0.00 34.95 32.24 1nie s ARG 123 CO 0.06 0.22 0.20 -0.59 -0.81 0.00 0.00 175.30 174.38 1nie s PHE 124 N -0.09 -0.02 -0.13 5.12 -0.12 -0.53 -4.98 117.98 117.23 1nie s PHE 124 Ca 0.01 -0.05 -0.21 0.00 -0.05 0.00 0.00 56.93 56.63 1nie s PHE 124 Cb -0.07 -0.00 -0.03 0.00 -0.63 0.00 0.00 43.02 42.28 1nie s PHE 124 CO 0.00 -0.35 0.61 0.21 -0.05 0.00 0.00 175.22 175.64 1nie s LYS 125 N -1.62 4.33 -1.24 1.99 2.20 -1.26 -0.61 119.74 123.53 1nie s LYS 125 Ca -0.12 0.66 -0.16 0.00 -0.36 0.00 0.00 55.97 55.98 1nie s LYS 125 Cb -0.06 -3.49 0.12 0.00 -1.51 0.00 0.00 37.83 32.89 1nie s LYS 125 CO 0.01 -0.02 1.57 0.00 -0.36 0.00 0.00 175.35 176.55 1nie s ALA 126 N 1.16 3.64 -0.27 3.13 0.00 -0.75 -4.77 121.76 123.89 1nie s ALA 126 Ca 0.31 -3.11 0.26 0.00 0.00 0.00 0.00 51.96 49.41 1nie s ALA 126 Cb -0.16 -4.38 0.64 0.00 0.00 0.00 0.00 23.12 19.22 1nie s ALA 126 CO 0.13 -3.05 1.72 1.79 0.00 0.00 0.00 175.76 176.35 1nie h THR 127 N 5.17 0.03 -3.45 0.00 1.35 -1.87 0.30 112.91 114.44 1nie h THR 127 Ca 0.37 -0.90 -0.65 0.00 -0.55 0.00 0.00 66.41 64.68 1nie h THR 127 Cb 0.88 1.87 -0.33 0.00 -1.73 0.00 0.00 68.15 68.84 1nie h THR 127 CO 1.35 0.02 -0.87 -0.54 -0.25 0.00 0.00 175.52 175.22 1nie s LYS 128 N -3.34 2.74 0.30 4.72 1.02 -1.26 -4.79 119.74 119.13 1nie s LYS 128 Ca 0.05 -0.80 -0.24 0.00 0.02 0.00 0.00 55.97 55.00 1nie s LYS 128 Cb 0.06 -2.12 -0.09 0.00 -0.52 0.00 0.00 37.83 35.16 1nie s LYS 128 CO 0.64 0.18 0.89 -1.25 -0.92 0.00 0.00 175.35 174.88 1nie s PRO 129 N 0.32 4.48 0.00 -1.68 0.04 -1.26 -4.80 135.00 132.10 1nie s PRO 129 Ca -0.16 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1nie s PRO 129 Cb -0.17 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1nie s PRO 129 CO 0.07 0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.82 1nie n GLY 130 N 0.55 -0.56 3.76 0.56 0.00 0.47 -3.14 105.19 106.82 1nie n GLY 130 Ca 0.01 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 43.98 1nie n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nie s VAL 131 N -1.44 5.30 0.16 1.61 -7.23 -0.11 0.05 120.40 118.73 1nie s VAL 131 Ca 0.00 0.14 0.06 0.00 -1.81 0.00 0.00 61.98 60.38 1nie s VAL 131 Cb 0.00 -3.37 -0.04 0.00 0.56 0.00 0.00 36.38 33.53 1nie s VAL 131 CO 0.00 0.51 -0.13 -0.36 -0.31 0.00 0.00 175.10 174.80 1nie s PHE 132 N -0.14 1.50 0.18 2.82 0.40 0.24 -4.42 117.98 118.56 1nie s PHE 132 Ca 0.10 -0.61 -0.10 0.00 -0.60 0.00 0.00 56.93 55.71 1nie s PHE 132 Cb -0.12 -0.74 -0.07 0.00 0.51 0.00 0.00 43.02 42.61 1nie s PHE 132 CO 0.00 0.21 0.51 0.08 0.70 0.00 0.00 175.22 176.73 1nie s VAL 133 N -2.74 4.96 0.02 -0.44 1.01 -1.26 -0.82 120.40 121.13 1nie s VAL 133 Ca 0.16 0.52 0.05 0.00 0.00 0.00 0.00 61.98 62.71 1nie s VAL 133 Cb -0.02 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1nie s VAL 133 CO 0.04 0.07 -0.16 -0.72 0.00 0.00 0.00 175.10 174.33 1nie s TYR 134 N -1.65 1.37 0.17 5.22 -0.85 -0.95 -1.33 117.35 119.33 1nie s TYR 134 Ca 0.42 -0.32 -0.23 0.00 -0.52 0.00 0.00 57.07 56.42 1nie s TYR 134 Cb -0.13 -0.83 0.06 0.00 0.38 0.00 0.00 41.96 41.45 1nie s TYR 134 CO 0.21 0.03 0.62 -3.38 -1.52 0.00 0.00 175.55 171.50 1nie s HIS 135 N -0.68 -0.49 0.38 -3.49 -3.43 0.02 -1.16 115.29 106.44 1nie s HIS 135 Ca 0.04 0.25 -0.25 0.00 -0.80 0.00 0.00 55.06 54.30 1nie s HIS 135 Cb -0.07 0.58 -0.09 0.00 -1.43 0.00 0.00 32.58 31.57 1nie s HIS 135 CO 0.01 -0.90 1.11 0.00 -2.00 0.00 0.00 174.74 172.95 1nie n ALA 137 N 0.16 -0.14 -2.12 0.00 0.00 -1.26 -4.52 120.51 112.62 1nie n ALA 137 Ca 0.04 -2.06 -0.41 0.00 0.00 0.00 0.00 53.44 51.01 1nie n ALA 137 Cb 0.48 -1.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 1nie n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1nie s PRO 138 N 0.06 4.68 -0.10 0.00 0.02 -1.26 -4.89 135.00 133.50 1nie s PRO 138 Ca 0.33 1.56 -0.38 0.00 0.02 0.00 0.00 61.00 62.52 1nie s PRO 138 Cb 0.21 -3.33 -0.16 0.00 0.02 0.00 0.00 34.50 31.25 1nie s PRO 138 CO -0.20 0.20 1.56 -1.91 -0.33 0.00 0.00 177.00 176.32 1nie n GLU 139 N 2.47 1.19 0.00 5.54 4.07 -1.26 -1.66 120.64 130.99 1nie n GLU 139 Ca 0.02 0.43 0.00 0.00 -0.06 0.00 0.00 57.16 57.55 1nie n GLU 139 Cb 0.48 -2.10 0.00 0.00 -0.06 0.00 0.00 31.44 29.76 1nie n GLU 139 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nie n GLY 140 N 3.41 3.20 1.69 8.31 0.00 -1.26 -4.80 105.19 115.74 1nie n GLY 140 Ca 0.22 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.26 1nie n GLY 140 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1nie n MET 141 N -2.00 0.78 0.36 1.61 0.00 -0.66 -4.94 117.12 112.27 1nie n MET 141 Ca 0.00 -2.62 -0.19 0.00 0.00 0.00 0.00 57.70 54.89 1nie n MET 141 Cb 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 33.22 32.43 1nie n MET 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1nie h VAL 142 N 5.63 0.00 -0.57 3.17 2.07 -1.82 -2.38 116.25 122.35 1nie h VAL 142 Ca -0.15 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.43 1nie h VAL 142 Cb 1.62 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1nie h VAL 142 CO 0.14 0.00 0.38 1.55 0.02 0.00 0.00 177.57 179.66 1nie h PRO 143 N -1.11 0.54 -0.54 1.57 0.13 -1.92 -1.85 132.00 128.83 1nie h PRO 143 Ca -0.08 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.97 1nie h PRO 143 Cb 0.93 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 1nie h PRO 143 CO 0.01 0.36 0.18 2.35 -0.23 0.00 0.00 178.00 180.67 1nie h TRP 144 N 0.56 0.86 -0.23 1.56 7.01 -1.90 0.08 115.95 123.89 1nie h TRP 144 Ca 0.24 -0.08 -0.18 0.00 2.11 0.00 0.00 58.89 60.98 1nie h TRP 144 Cb 0.25 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 27.06 1nie h TRP 144 CO -0.00 0.72 -0.59 0.45 -2.79 0.00 0.00 178.44 176.23 1nie h HIS 145 N 0.74 0.94 -0.10 2.65 3.86 -0.93 -2.76 115.15 119.55 1nie h HIS 145 Ca 0.18 -0.35 -0.01 0.00 -1.16 0.00 0.00 60.37 59.02 1nie h HIS 145 Cb 0.26 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.55 1nie h HIS 145 CO 0.01 1.15 0.01 0.28 0.86 0.00 0.00 177.93 180.24 1nie h VAL 146 N 0.55 1.23 0.00 2.45 2.07 -1.14 -2.60 116.25 118.80 1nie h VAL 146 Ca 0.00 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1nie h VAL 146 Cb 1.18 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1nie h VAL 146 CO 0.12 0.20 0.00 0.35 0.02 0.00 0.00 177.57 178.27 1nie n THR 147 N -4.84 0.00 -0.44 2.57 -2.24 -0.00 -1.83 114.28 107.50 1nie n THR 147 Ca -0.06 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.83 1nie n THR 147 Cb 0.18 -0.39 0.32 0.00 -2.10 0.00 0.00 70.33 68.34 1nie n THR 147 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1nie n SER 148 N -0.82 4.13 0.00 3.42 7.64 -1.04 -4.68 113.62 122.27 1nie n SER 148 Ca 0.13 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 57.88 1nie n SER 148 Cb 0.06 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1nie n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nie n GLY 149 N 1.42 0.83 2.96 0.23 0.00 -0.76 -1.51 105.19 108.36 1nie n GLY 149 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1nie n GLY 149 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1nie n MET 150 N -2.26 3.56 -3.45 1.61 0.00 -0.82 -4.58 117.12 111.18 1nie n MET 150 Ca 0.00 -3.55 -0.13 0.00 0.00 0.00 0.00 57.70 54.02 1nie n MET 150 Cb 0.00 -2.96 -0.03 0.00 0.00 0.00 0.00 33.22 30.23 1nie n MET 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1nie s ASN 151 N 1.26 -0.56 0.00 6.12 2.20 -1.26 -1.89 114.94 120.81 1nie s ASN 151 Ca 0.40 0.16 0.00 0.00 -0.94 0.00 0.00 52.86 52.49 1nie s ASN 151 Cb 0.08 0.56 0.00 0.00 -2.00 0.00 0.00 41.25 39.88 1nie s ASN 151 CO 0.00 -0.84 0.00 0.61 -2.94 0.00 0.00 177.10 173.93 1nie n GLY 152 N -0.06 3.58 3.33 0.45 0.00 -0.31 -0.63 105.19 111.54 1nie n GLY 152 Ca -0.16 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 1nie n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nie s ALA 153 N -1.11 -1.03 -0.04 4.61 0.00 -1.26 -2.25 121.76 120.69 1nie s ALA 153 Ca 0.00 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.13 1nie s ALA 153 Cb 0.00 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1nie s ALA 153 CO 0.00 -0.58 -0.11 -1.50 0.00 0.00 0.00 175.76 173.56 1nie s ILE 154 N -3.29 1.00 -0.22 0.00 2.07 -0.00 -2.36 121.20 118.41 1nie s ILE 154 Ca -0.00 -0.46 -0.06 0.00 -1.41 0.00 0.00 60.65 58.71 1nie s ILE 154 Cb 0.01 -0.89 -0.03 0.00 0.13 0.00 0.00 42.46 41.68 1nie s ILE 154 CO -0.08 0.31 0.03 -0.32 -1.91 0.00 0.00 174.94 172.97 1nie s MET 155 N 0.25 3.68 -0.55 3.50 -2.45 0.13 -0.59 119.30 123.28 1nie s MET 155 Ca -0.05 -0.48 -0.06 0.00 -1.25 0.00 0.00 55.69 53.85 1nie s MET 155 Cb -0.11 -3.19 0.14 0.00 1.25 0.00 0.00 34.83 32.93 1nie s MET 155 CO 0.01 -0.02 0.39 0.08 1.05 0.00 0.00 175.02 176.53 1nie s VAL 156 N 1.13 3.99 0.30 10.11 1.01 0.11 -1.14 120.40 135.90 1nie s VAL 156 Ca 0.03 -2.31 -0.28 0.00 0.00 0.00 0.00 61.98 59.43 1nie s VAL 156 Cb -0.14 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 1nie s VAL 156 CO 0.02 -0.82 1.00 -0.76 0.00 0.00 0.00 175.10 174.55 1nie s LEU 157 N 0.71 4.45 0.67 3.92 1.43 -0.44 -0.40 118.68 129.04 1nie s LEU 157 Ca 0.11 2.02 -0.17 0.00 -1.03 0.00 0.00 54.13 55.07 1nie s LEU 157 Cb -0.22 -3.82 0.01 0.00 0.03 0.00 0.00 46.19 42.19 1nie s LEU 157 CO -0.03 -0.10 1.25 -2.84 0.23 0.00 0.00 176.35 174.87 1nie s PRO 158 N -1.71 2.43 0.64 1.29 0.02 -1.26 -0.89 135.00 135.52 1nie s PRO 158 Ca 0.47 1.93 0.42 0.00 0.02 0.00 0.00 61.00 63.85 1nie s PRO 158 Cb -0.25 -1.85 2.21 0.00 0.02 0.00 0.00 34.50 34.64 1nie s PRO 158 CO 0.32 -1.65 2.29 -0.09 -0.33 0.00 0.00 177.00 177.53 1nie h ARG 159 N 0.27 0.00 -0.39 5.54 2.43 -1.89 -1.84 114.38 118.50 1nie h ARG 159 Ca -0.50 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.55 1nie h ARG 159 Cb 1.32 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.80 1nie h ARG 159 CO 0.52 0.00 0.04 -0.40 -1.51 0.00 0.00 179.97 178.62 1nie n ASP 160 N -3.05 3.51 -0.33 -3.80 5.75 -1.26 -0.84 116.55 116.53 1nie n ASP 160 Ca -0.02 -3.35 0.02 0.00 -0.01 0.00 0.00 54.79 51.44 1nie n ASP 160 Cb 0.11 -0.62 -0.01 0.00 -1.03 0.00 0.00 41.12 39.57 1nie n ASP 160 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nie n GLY 161 N -0.72 -1.96 3.84 6.12 0.00 -0.69 -4.83 105.19 106.95 1nie n GLY 161 Ca 0.30 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 1nie n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nie s LEU 162 N 0.00 3.88 0.08 0.99 1.43 -1.26 -4.50 118.68 119.31 1nie s LEU 162 Ca 0.00 1.53 0.02 0.00 -1.03 0.00 0.00 54.13 54.65 1nie s LEU 162 Cb 0.00 -4.39 -0.03 0.00 0.03 0.00 0.00 46.19 41.80 1nie s LEU 162 CO 0.00 -0.38 -0.07 -0.54 0.23 0.00 0.00 176.35 175.58 1nie s LYS 163 N -3.41 0.72 0.05 1.70 -0.14 -1.26 -0.69 119.74 116.71 1nie s LYS 163 Ca 0.59 -1.10 -0.00 0.00 -1.36 0.00 0.00 55.97 54.09 1nie s LYS 163 Cb -0.10 -0.27 0.01 0.00 -1.68 0.00 0.00 37.83 35.79 1nie s LYS 163 CO 0.20 0.02 0.07 -0.40 -0.76 0.00 0.00 175.35 174.47 1nie n ASP 164 N 0.59 0.05 0.30 2.83 5.68 0.77 -4.79 116.55 121.97 1nie n ASP 164 Ca -0.17 -1.05 0.18 0.00 -0.50 0.00 0.00 54.79 53.25 1nie n ASP 164 Cb 0.58 -0.05 0.91 0.00 -1.14 0.00 0.00 41.12 41.42 1nie n ASP 164 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1nie h GLU 165 N 0.00 0.00 -0.44 0.11 9.09 -1.89 -1.74 114.58 119.70 1nie h GLU 165 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.39 1nie h GLU 165 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 1nie h GLU 165 CO 0.02 0.04 0.00 1.63 0.05 0.00 0.00 179.01 180.75 1nie n LYS 166 N -3.31 2.42 -0.96 1.06 5.02 -1.26 -4.95 118.16 116.18 1nie n LYS 166 Ca -0.02 -2.17 0.00 0.00 -2.02 0.00 0.00 58.31 54.11 1nie n LYS 166 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1nie n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nie n GLY 167 N 1.48 0.46 3.86 0.72 0.00 -0.65 -5.05 105.19 106.00 1nie n GLY 167 Ca 0.20 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 1nie n GLY 167 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nie s GLN 168 N -1.07 3.88 0.40 1.61 2.00 -1.26 -4.79 119.66 120.43 1nie s GLN 168 Ca 0.00 0.36 -0.27 0.00 -2.00 0.00 0.00 55.36 53.44 1nie s GLN 168 Cb 0.00 -2.87 -0.10 0.00 0.80 0.00 0.00 33.01 30.83 1nie s GLN 168 CO 0.00 0.46 1.49 -2.14 -0.50 0.00 0.00 175.29 174.59 1nie s PRO 169 N -2.18 4.00 -0.17 1.67 0.02 -1.26 -0.16 135.00 136.92 1nie s PRO 169 Ca 0.39 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.98 1nie s PRO 169 Cb -0.14 -2.89 0.03 0.00 0.02 0.00 0.00 34.50 31.52 1nie s PRO 169 CO 0.20 -0.62 -0.12 -0.51 -0.33 0.00 0.00 177.00 175.61 1nie s LEU 170 N -2.26 1.91 -0.16 -5.54 1.43 0.13 -4.77 118.68 109.42 1nie s LEU 170 Ca 0.55 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1nie s LEU 170 Cb -0.46 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 44.58 1nie s LEU 170 CO 0.63 -0.10 -0.19 -0.89 0.23 0.00 0.00 176.35 176.03 1nie s THR 171 N 1.46 2.29 0.12 5.49 2.01 -1.26 -4.02 115.64 121.73 1nie s THR 171 Ca 0.02 -0.89 -0.06 0.00 0.31 0.00 0.00 61.69 61.08 1nie s THR 171 Cb -0.14 -1.95 -0.06 0.00 0.01 0.00 0.00 72.50 70.36 1nie s THR 171 CO -0.10 0.53 0.37 -0.72 -0.69 0.00 0.00 174.62 174.02 1nie s TYR 172 N 0.99 3.50 -0.11 4.92 -0.85 -1.26 -4.83 117.35 119.72 1nie s TYR 172 Ca -0.02 0.61 0.08 0.00 -0.52 0.00 0.00 57.07 57.21 1nie s TYR 172 Cb -0.15 -2.04 -0.24 0.00 0.38 0.00 0.00 41.96 39.92 1nie s TYR 172 CO -0.05 0.46 0.42 -0.25 -1.52 0.00 0.00 175.55 174.61 1nie n ASP 173 N 0.33 1.12 -4.12 -0.18 8.00 0.82 -4.96 116.55 117.56 1nie n ASP 173 Ca -0.04 0.25 -0.15 0.00 0.71 0.00 0.00 54.79 55.56 1nie n ASP 173 Cb 0.52 -0.10 -0.11 0.00 -0.02 0.00 0.00 41.12 41.40 1nie n ASP 173 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1nie s LYS 174 N -2.56 0.69 -0.01 -1.24 1.02 -0.99 -5.02 119.74 111.63 1nie s LYS 174 Ca -0.12 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 54.96 1nie s LYS 174 Cb 0.07 -0.51 0.01 0.00 -0.52 0.00 0.00 37.83 36.89 1nie s LYS 174 CO 0.79 0.10 0.01 -1.50 -0.92 0.00 0.00 175.35 173.83 1nie s ILE 175 N -1.60 0.02 0.06 2.17 2.07 -1.26 -1.30 121.20 121.36 1nie s ILE 175 Ca -0.04 0.07 0.04 0.00 -1.41 0.00 0.00 60.65 59.31 1nie s ILE 175 Cb -0.08 -0.07 -0.03 0.00 0.13 0.00 0.00 42.46 42.41 1nie s ILE 175 CO 0.01 0.05 -0.12 -0.31 -1.91 0.00 0.00 174.94 172.65 1nie s TYR 176 N 0.43 1.06 -0.23 3.50 2.02 -0.73 -4.55 117.35 118.84 1nie s TYR 176 Ca -0.04 -0.45 -0.01 0.00 -0.37 0.00 0.00 57.07 56.20 1nie s TYR 176 Cb -0.06 -0.61 0.02 0.00 -0.40 0.00 0.00 41.96 40.92 1nie s TYR 176 CO -0.01 0.02 -0.09 -0.47 -1.57 0.00 0.00 175.55 173.43 1nie s TYR 177 N -1.23 3.01 -0.34 2.71 5.04 -0.01 -1.57 117.35 124.97 1nie s TYR 177 Ca -0.04 -1.53 -0.08 0.00 -2.44 0.00 0.00 57.07 52.99 1nie s TYR 177 Cb -0.10 -2.03 0.03 0.00 0.35 0.00 0.00 41.96 40.21 1nie s TYR 177 CO 0.02 -0.73 0.12 0.08 -1.34 0.00 0.00 175.55 173.70 1nie s VAL 178 N 1.33 4.04 -0.28 3.14 1.01 0.23 -4.21 120.40 125.65 1nie s VAL 178 Ca 0.01 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 1nie s VAL 178 Cb -0.16 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 1nie s VAL 178 CO -0.06 -0.12 0.19 -0.83 0.00 0.00 0.00 175.10 174.28 1nie s GLY 179 N 1.47 1.93 -0.16 4.51 0.00 -1.26 -2.09 107.32 111.72 1nie s GLY 179 Ca 0.00 -1.08 -0.13 0.00 0.00 0.00 0.00 44.72 43.51 1nie s GLY 179 CO 0.04 0.64 0.26 1.85 0.00 0.00 0.00 173.10 175.89 1nie s GLU 180 N 1.74 4.18 -0.10 2.90 2.12 -0.65 -1.89 118.70 127.00 1nie s GLU 180 Ca 0.07 0.03 0.02 0.00 0.36 0.00 0.00 54.97 55.46 1nie s GLU 180 Cb -0.16 -3.40 0.01 0.00 0.26 0.00 0.00 34.13 30.84 1nie s GLU 180 CO 0.11 0.30 -0.16 -1.14 -0.54 0.00 0.00 175.26 173.83 1nie s GLN 181 N 0.29 2.28 -0.21 4.30 2.00 0.25 -4.53 119.66 124.04 1nie s GLN 181 Ca 0.15 -0.60 -0.14 0.00 -2.00 0.00 0.00 55.36 52.77 1nie s GLN 181 Cb -0.13 -1.87 -0.04 0.00 0.80 0.00 0.00 33.01 31.77 1nie s GLN 181 CO 0.03 0.01 0.32 0.16 -0.50 0.00 0.00 175.29 175.30 1nie s ASP 182 N 0.78 6.33 0.09 6.67 -4.77 -1.26 -0.90 116.67 123.62 1nie s ASP 182 Ca -0.11 0.38 0.07 0.00 -3.30 0.00 0.00 52.55 49.60 1nie s ASP 182 Cb -0.16 -2.19 -0.04 0.00 -1.09 0.00 0.00 42.92 39.45 1nie s ASP 182 CO 0.02 -0.03 -0.13 -0.36 0.70 0.00 0.00 175.17 175.37 1nie s PHE 183 N 1.21 2.66 -0.58 2.11 0.08 0.84 -4.78 117.98 119.52 1nie s PHE 183 Ca 0.15 -0.20 0.05 0.00 0.12 0.00 0.00 56.93 57.05 1nie s PHE 183 Cb -0.14 -1.42 0.18 0.00 -0.57 0.00 0.00 43.02 41.06 1nie s PHE 183 CO 0.07 0.38 0.46 0.66 -0.10 0.00 0.00 175.22 176.69 1nie n TYR 184 N 0.93 1.54 -2.50 0.36 4.02 -1.26 -0.19 117.16 120.06 1nie n TYR 184 Ca -0.15 -3.89 -0.42 0.00 -0.01 0.00 0.00 57.90 53.43 1nie n TYR 184 Cb 0.52 -0.28 -0.03 0.00 -0.02 0.00 0.00 39.34 39.54 1nie n TYR 184 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1nie s VAL 185 N -0.97 4.35 0.47 -0.72 1.01 -1.26 -4.71 120.40 118.57 1nie s VAL 185 Ca 0.30 1.66 -0.24 0.00 0.00 0.00 0.00 61.98 63.70 1nie s VAL 185 Cb 0.02 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 1nie s VAL 185 CO -0.17 -0.01 1.42 -2.84 0.00 0.00 0.00 175.10 173.50 1nie s PRO 186 N 2.28 3.55 0.18 2.72 0.02 -1.26 -4.87 135.00 137.62 1nie s PRO 186 Ca 0.54 2.40 0.09 0.00 0.02 0.00 0.00 61.00 64.06 1nie s PRO 186 Cb -0.23 -2.57 -0.04 0.00 0.02 0.00 0.00 34.50 31.68 1nie s PRO 186 CO 0.20 -0.92 -0.20 0.15 -0.33 0.00 0.00 177.00 175.91 1nie s LYS 187 N -2.56 1.36 0.23 5.54 1.02 -1.26 -0.82 119.74 123.25 1nie s LYS 187 Ca 0.63 -1.46 -0.03 0.00 0.02 0.00 0.00 55.97 55.14 1nie s LYS 187 Cb -0.43 -1.50 0.05 0.00 -0.52 0.00 0.00 37.83 35.43 1nie s LYS 187 CO 0.55 0.31 0.32 -0.40 -0.92 0.00 0.00 175.35 175.21 1nie n ASP 188 N 0.25 0.15 -0.21 2.83 5.68 0.58 -4.88 116.55 120.94 1nie n ASP 188 Ca -0.13 -1.19 0.01 0.00 -0.50 0.00 0.00 54.79 52.98 1nie n ASP 188 Cb 0.57 -0.23 0.26 0.00 -1.14 0.00 0.00 41.12 40.57 1nie n ASP 188 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1nie h GLU 189 N 0.00 0.96 0.00 0.11 5.08 -2.02 -2.15 114.58 116.57 1nie h GLU 189 Ca -0.10 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1nie h GLU 189 Cb 0.32 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1nie h GLU 189 CO 0.08 0.64 -0.11 0.00 -1.00 0.00 0.00 179.01 178.62 1nie n ALA 190 N -2.42 2.56 0.00 3.43 0.00 -1.26 -4.93 120.51 117.88 1nie n ALA 190 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1nie n ALA 190 Cb 0.05 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1nie n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nie n GLY 191 N 1.46 0.91 3.79 0.00 0.00 -0.81 -5.09 105.19 105.47 1nie n GLY 191 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1nie n GLY 191 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nie s ASN 192 N -2.12 7.25 0.29 1.61 0.01 -1.26 -4.77 114.94 115.94 1nie s ASN 192 Ca 0.00 1.57 -0.29 0.00 -0.71 0.00 0.00 52.86 53.43 1nie s ASN 192 Cb 0.00 -2.47 -0.10 0.00 0.41 0.00 0.00 41.25 39.09 1nie s ASN 192 CO 0.00 0.12 1.18 -0.31 -1.51 0.00 0.00 177.10 176.57 1nie s TYR 193 N -1.33 3.39 0.55 2.20 2.02 -1.26 -0.31 117.35 122.61 1nie s TYR 193 Ca 0.40 1.58 -0.09 0.00 -0.37 0.00 0.00 57.07 58.59 1nie s TYR 193 Cb -0.20 -3.43 -0.04 0.00 -0.40 0.00 0.00 41.96 37.89 1nie s TYR 193 CO 0.24 -1.03 0.92 0.15 -1.57 0.00 0.00 175.55 174.25 1nie s LYS 194 N -1.45 3.59 0.02 -0.62 3.01 -0.00 -4.86 119.74 119.42 1nie s LYS 194 Ca 0.47 0.51 0.05 0.00 -1.01 0.00 0.00 55.97 56.00 1nie s LYS 194 Cb -0.35 -2.21 -0.02 0.00 -1.01 0.00 0.00 37.83 34.24 1nie s LYS 194 CO 0.45 -0.39 -0.17 0.21 0.51 0.00 0.00 175.35 175.95 1nie s LYS 195 N -4.93 1.22 0.12 1.68 2.47 -1.26 -4.84 119.74 114.19 1nie s LYS 195 Ca 0.52 -0.71 0.05 0.00 -1.56 0.00 0.00 55.97 54.26 1nie s LYS 195 Cb -0.11 -1.23 -0.04 0.00 -1.46 0.00 0.00 37.83 34.99 1nie s LYS 195 CO 0.49 0.32 -0.11 0.71 0.16 0.00 0.00 175.35 176.92 1nie s TYR 196 N -0.61 1.22 -0.02 4.03 2.02 -1.26 -5.07 117.35 117.66 1nie s TYR 196 Ca 0.05 -0.65 -0.21 0.00 -0.37 0.00 0.00 57.07 55.89 1nie s TYR 196 Cb -0.07 -0.64 -0.28 0.00 -0.40 0.00 0.00 41.96 40.57 1nie s TYR 196 CO 0.00 0.07 0.99 1.49 -1.57 0.00 0.00 175.55 176.54 1nie h GLU 197 N 3.33 0.36 -4.92 -0.62 4.81 -2.01 -3.48 114.58 112.04 1nie h GLU 197 Ca -0.38 -0.49 -0.34 0.00 -0.13 0.00 0.00 59.36 58.03 1nie h GLU 197 Cb 1.19 0.16 -0.14 0.00 0.63 0.00 0.00 28.75 30.59 1nie h GLU 197 CO 0.55 1.18 -0.65 0.95 -0.73 0.00 0.00 179.01 180.31 1nie s THR 198 N -2.80 0.77 0.18 0.32 -4.23 -1.26 -5.06 115.64 103.55 1nie s THR 198 Ca -0.13 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.24 1nie s THR 198 Cb 0.02 -2.33 0.07 0.00 1.34 0.00 0.00 72.50 71.60 1nie s THR 198 CO 0.83 -0.30 1.82 -0.65 -0.54 0.00 0.00 174.62 175.78 1nie h PRO 199 N 2.53 0.61 -0.56 3.99 0.11 -1.94 -2.85 132.00 133.90 1nie h PRO 199 Ca -0.38 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.77 1nie h PRO 199 Cb 1.22 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1nie h PRO 199 CO 0.63 0.41 0.38 0.78 -0.21 0.00 0.00 178.00 179.98 1nie h GLY 200 N 0.63 0.62 2.00 -0.55 0.00 -1.99 -0.21 103.07 103.58 1nie h GLY 200 Ca 0.21 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 1nie h GLY 200 CO -0.09 0.14 -0.23 -2.09 0.00 0.00 0.00 176.54 174.27 1nie h GLU 201 N 0.49 0.00 0.00 4.80 4.81 -1.92 -2.88 114.58 119.87 1nie h GLU 201 Ca 0.25 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.34 1nie h GLU 201 Cb 0.35 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1nie h GLU 201 CO -0.07 0.23 -0.81 0.00 -0.73 0.00 0.00 179.01 177.63 1nie h ALA 202 N 1.77 0.62 -0.61 2.92 0.00 -1.05 -3.42 119.26 119.49 1nie h ALA 202 Ca -0.00 -0.64 0.06 0.00 0.00 0.00 0.00 54.91 54.33 1nie h ALA 202 Cb 0.45 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1nie h ALA 202 CO 0.03 0.81 -0.36 0.98 0.00 0.00 0.00 179.25 180.71 1nie n TYR 203 N -3.17 -0.27 -0.17 0.00 9.36 -1.02 -1.03 117.16 120.87 1nie n TYR 203 Ca -0.01 0.76 -0.03 0.00 3.32 0.00 0.00 57.90 61.94 1nie n TYR 203 Cb 0.80 -0.53 0.07 0.00 -0.63 0.00 0.00 39.34 39.04 1nie n TYR 203 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1nie h GLU 204 N 0.00 0.36 -0.34 2.98 4.39 -1.80 -2.36 114.58 117.80 1nie h GLU 204 Ca 0.10 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.68 1nie h GLU 204 Cb 0.25 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1nie h GLU 204 CO -0.57 0.24 -0.19 -0.44 -1.16 0.00 0.00 179.01 176.88 1nie h ASP 205 N 0.37 0.63 -0.63 1.42 3.32 -1.72 -3.08 116.42 116.73 1nie h ASP 205 Ca 0.25 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 57.12 1nie h ASP 205 Cb 0.26 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1nie h ASP 205 CO -0.25 0.83 0.39 0.00 -1.72 0.00 0.00 179.24 178.49 1nie h ALA 206 N 1.23 0.82 -0.63 3.45 0.00 -0.58 -1.24 119.26 122.30 1nie h ALA 206 Ca 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1nie h ALA 206 Cb 0.64 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1nie h ALA 206 CO 0.05 0.13 0.31 0.28 0.00 0.00 0.00 179.25 180.02 1nie h VAL 207 N 0.76 1.21 -0.48 0.00 2.07 -1.37 -0.04 116.25 118.41 1nie h VAL 207 Ca 0.25 -0.59 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 1nie h VAL 207 Cb 0.02 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1nie h VAL 207 CO -0.10 0.25 -0.05 0.50 0.02 0.00 0.00 177.57 178.18 1nie h LYS 208 N 0.87 0.83 -0.45 1.57 3.64 -1.43 -2.38 116.57 119.22 1nie h LYS 208 Ca 0.22 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1nie h LYS 208 Cb 0.10 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1nie h LYS 208 CO -0.03 0.86 0.04 0.00 -2.27 0.00 0.00 179.45 178.05 1nie h ALA 209 N 1.18 0.60 -0.81 5.00 0.00 -0.66 -3.11 119.26 121.46 1nie h ALA 209 Ca 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1nie h ALA 209 Cb 0.53 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1nie h ALA 209 CO 0.03 0.36 0.39 0.52 0.00 0.00 0.00 179.25 180.55 1nie h MET 210 N 0.62 1.17 0.00 0.00 2.86 -0.83 -2.96 114.93 115.79 1nie h MET 210 Ca 0.13 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1nie h MET 210 Cb 0.44 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1nie h MET 210 CO 0.02 0.89 0.00 0.00 1.06 0.00 0.00 176.91 178.88 1nie h ARG 211 N 1.16 0.00 0.00 1.72 3.08 -1.36 -0.60 114.38 118.38 1nie h ARG 211 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1nie h ARG 211 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1nie h ARG 211 CO -0.04 0.00 0.00 1.79 -1.07 0.00 0.00 179.97 180.65 1nie h THR 212 N 0.00 0.00 -0.35 2.04 1.35 -1.60 -3.46 112.91 110.89 1nie h THR 212 Ca 0.00 -0.61 -0.15 0.00 -0.55 0.00 0.00 66.41 65.10 1nie h THR 212 Cb 0.04 1.57 -0.06 0.00 -1.73 0.00 0.00 68.15 67.97 1nie h THR 212 CO 0.00 0.00 -0.14 0.18 -0.25 0.00 0.00 175.52 175.31 1nie n LEU 213 N -2.92 -0.12 -4.07 3.87 4.32 -0.23 -4.96 117.00 112.89 1nie n LEU 213 Ca 0.02 0.18 -0.32 0.00 -0.02 0.00 0.00 56.01 55.87 1nie n LEU 213 Cb 0.37 -2.19 -0.15 0.00 -1.62 0.00 0.00 43.42 39.83 1nie n LEU 213 CO 0.28 -0.81 -0.40 -0.89 -1.22 0.00 0.00 177.39 174.35 1nie s THR 214 N -1.85 2.32 0.64 -5.08 2.01 -1.26 -5.11 115.64 107.31 1nie s THR 214 Ca 0.00 -1.86 -0.17 0.00 0.31 0.00 0.00 61.69 59.97 1nie s THR 214 Cb 0.00 -2.49 -0.01 0.00 0.01 0.00 0.00 72.50 70.01 1nie s THR 214 CO 0.00 -0.24 1.22 -2.84 -0.69 0.00 0.00 174.62 172.07 1nie s PRO 215 N 1.05 2.67 -0.01 4.92 0.02 -1.26 -4.90 135.00 137.49 1nie s PRO 215 Ca -0.02 1.83 0.17 0.00 0.02 0.00 0.00 61.00 63.01 1nie s PRO 215 Cb -0.20 -1.89 -0.19 0.00 0.02 0.00 0.00 34.50 32.24 1nie s PRO 215 CO -0.06 -1.44 0.61 0.25 -0.33 0.00 0.00 177.00 176.03 1nie n THR 216 N -1.98 1.13 -3.86 0.99 -2.24 0.74 -4.94 114.28 104.12 1nie n THR 216 Ca 0.14 -0.71 -0.11 0.00 -2.27 0.00 0.00 64.05 61.09 1nie n THR 216 Cb 0.50 -0.63 -0.11 0.00 -2.10 0.00 0.00 70.33 67.99 1nie n THR 216 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1nie s HIS 217 N -2.87 -0.02 -0.18 4.78 3.76 -1.13 -4.92 115.29 114.71 1nie s HIS 217 Ca -0.05 0.04 -0.04 0.00 -0.15 0.00 0.00 55.06 54.86 1nie s HIS 217 Cb 0.09 -0.02 0.06 0.00 1.11 0.00 0.00 32.58 33.82 1nie s HIS 217 CO 0.83 -0.17 0.07 0.42 -0.85 0.00 0.00 174.74 175.03 1nie s ILE 218 N -0.72 0.18 0.24 0.60 1.01 -0.93 -0.11 121.20 121.46 1nie s ILE 218 Ca -0.08 -0.32 0.07 0.00 0.00 0.00 0.00 60.65 60.32 1nie s ILE 218 Cb -0.05 -0.76 -0.05 0.00 0.01 0.00 0.00 42.46 41.61 1nie s ILE 218 CO 0.01 -0.24 -0.11 0.68 0.00 0.00 0.00 174.94 175.27 1nie s VAL 219 N 2.02 1.71 -0.13 2.92 -7.23 -0.07 -0.45 120.40 119.16 1nie s VAL 219 Ca 0.01 -2.18 -0.05 0.00 -1.81 0.00 0.00 61.98 57.95 1nie s VAL 219 Cb -0.16 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 1nie s VAL 219 CO -0.08 -0.47 0.03 -0.36 -0.31 0.00 0.00 175.10 173.91 1nie s PHE 220 N -2.98 3.23 -1.43 2.82 0.08 -1.26 -0.58 117.98 117.86 1nie s PHE 220 Ca 0.26 0.13 -0.11 0.00 0.12 0.00 0.00 56.93 57.33 1nie s PHE 220 Cb 0.01 -1.93 0.04 0.00 -0.57 0.00 0.00 43.02 40.57 1nie s PHE 220 CO 0.09 0.33 1.09 -1.71 -0.10 0.00 0.00 175.22 174.93 1nie n ASN 221 N 2.77 -5.83 0.00 1.36 4.05 -0.79 -3.32 115.26 113.49 1nie n ASN 221 Ca -0.18 -0.61 0.00 0.00 0.45 0.00 0.00 54.58 54.24 1nie n ASN 221 Cb 0.53 -4.61 0.00 0.00 1.23 0.00 0.00 39.78 36.93 1nie n ASN 221 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1nie n GLY 222 N -1.88 2.13 3.48 8.20 0.00 -0.94 -4.83 105.19 111.36 1nie n GLY 222 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 1nie n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nie s ALA 223 N -2.88 -1.70 0.17 4.61 0.00 -1.21 -4.69 121.76 116.06 1nie s ALA 223 Ca 0.00 1.05 -0.32 0.00 0.00 0.00 0.00 51.96 52.70 1nie s ALA 223 Cb 0.00 0.27 -0.11 0.00 0.00 0.00 0.00 23.12 23.28 1nie s ALA 223 CO 0.00 -0.49 1.70 0.08 0.00 0.00 0.00 175.76 177.05 1nie s VAL 224 N -1.96 2.33 -0.07 0.00 1.01 -0.42 -1.71 120.40 119.58 1nie s VAL 224 Ca -0.07 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1nie s VAL 224 Cb -0.00 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1nie s VAL 224 CO 0.03 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1nie n GLY 225 N 3.97 0.44 0.35 4.51 0.00 -1.26 -4.86 105.19 108.34 1nie n GLY 225 Ca 0.16 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.11 1nie n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nie h ALA 226 N 0.00 1.70 -1.00 4.61 0.00 -1.55 -2.77 119.26 120.26 1nie h ALA 226 Ca -0.01 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 54.21 1nie h ALA 226 Cb 0.22 -0.19 -0.33 0.00 0.00 0.00 0.00 17.79 17.49 1nie h ALA 226 CO 0.02 0.19 0.35 1.28 0.00 0.00 0.00 179.25 181.09 1nie n LEU 227 N -4.47 6.70 -4.41 0.00 4.77 -1.26 -4.71 117.00 113.61 1nie n LEU 227 Ca 0.10 -4.62 -0.21 0.00 -0.03 0.00 0.00 56.01 51.25 1nie n LEU 227 Cb 0.20 -0.79 -0.10 0.00 -2.33 0.00 0.00 43.42 40.41 1nie n LEU 227 CO 0.34 1.77 -0.23 0.42 -1.33 0.00 0.00 177.39 178.35 1nie s THR 228 N -4.91 0.73 0.00 -5.08 -4.23 -1.05 -0.84 115.64 100.26 1nie s THR 228 Ca 0.57 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1nie s THR 228 Cb 0.46 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.70 1nie s THR 228 CO -0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1nie n GLY 229 N -0.67 3.84 0.00 3.99 0.00 -1.26 -0.70 105.19 110.39 1nie n GLY 229 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1nie n GLY 229 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nie n ASP 230 N 6.22 0.00 -0.77 1.61 8.00 -1.26 -2.34 116.55 128.01 1nie n ASP 230 Ca 0.00 0.02 0.07 0.00 0.71 0.00 0.00 54.79 55.59 1nie n ASP 230 Cb 0.00 -0.26 0.20 0.00 -0.02 0.00 0.00 41.12 41.04 1nie n ASP 230 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1nie n HIS 231 N -1.26 0.68 -1.70 1.24 8.25 0.12 -5.01 115.22 117.53 1nie n HIS 231 Ca 0.08 -0.64 -0.35 0.00 -0.26 0.00 0.00 57.72 56.54 1nie n HIS 231 Cb 0.11 -0.14 0.06 0.00 1.12 0.00 0.00 29.99 31.15 1nie n HIS 231 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nie s ALA 232 N -1.70 2.33 0.44 -1.41 0.00 -0.99 -4.16 121.76 116.27 1nie s ALA 232 Ca 0.31 0.91 -0.22 0.00 0.00 0.00 0.00 51.96 52.96 1nie s ALA 232 Cb 0.21 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 1nie s ALA 232 CO 0.14 -1.53 1.03 -0.51 0.00 0.00 0.00 175.76 174.89 1nie s LEU 233 N -4.67 4.01 0.20 0.00 1.43 0.18 -4.86 118.68 114.97 1nie s LEU 233 Ca 0.75 1.96 0.11 0.00 -1.03 0.00 0.00 54.13 55.92 1nie s LEU 233 Cb -0.29 -4.37 -0.04 0.00 0.03 0.00 0.00 46.19 41.52 1nie s LEU 233 CO 0.40 -0.59 -0.23 0.42 0.23 0.00 0.00 176.35 176.58 1nie s THR 234 N -1.83 2.31 0.20 5.49 -4.23 -1.26 -0.92 115.64 115.40 1nie s THR 234 Ca 0.62 -2.06 -0.23 0.00 -1.18 0.00 0.00 61.69 58.85 1nie s THR 234 Cb -0.18 -2.11 0.06 0.00 1.34 0.00 0.00 72.50 71.61 1nie s THR 234 CO 0.23 -0.16 0.95 0.00 -0.54 0.00 0.00 174.62 175.10 1nie s ALA 235 N -1.78 -1.49 0.12 3.99 0.00 -1.12 -4.95 121.76 116.53 1nie s ALA 235 Ca 0.21 -0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.06 1nie s ALA 235 Cb -0.07 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1nie s ALA 235 CO 0.10 -1.04 -0.13 0.00 0.00 0.00 0.00 175.76 174.68 1nie s ALA 236 N -2.85 1.47 0.20 0.00 0.00 -1.26 -1.72 121.76 117.59 1nie s ALA 236 Ca 0.16 -1.30 -0.32 0.00 0.00 0.00 0.00 51.96 50.49 1nie s ALA 236 Cb -0.03 -0.06 -0.12 0.00 0.00 0.00 0.00 23.12 22.91 1nie s ALA 236 CO 0.05 0.08 1.68 0.28 0.00 0.00 0.00 175.76 177.84 1nie n VAL 237 N 0.47 0.07 0.00 0.00 0.31 0.39 -1.78 118.33 117.79 1nie n VAL 237 Ca -0.15 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1nie n VAL 237 Cb 0.57 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1nie n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nie n GLY 238 N 3.71 2.62 3.77 2.92 0.00 0.53 -4.99 105.19 113.75 1nie n GLY 238 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1nie n GLY 238 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nie s GLU 239 N -0.94 4.70 -0.25 1.61 2.02 -0.73 -4.82 118.70 120.29 1nie s GLU 239 Ca 0.00 1.37 -0.13 0.00 0.02 0.00 0.00 54.97 56.23 1nie s GLU 239 Cb 0.00 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 1nie s GLU 239 CO 0.00 0.44 0.28 1.03 0.02 0.00 0.00 175.26 177.03 1nie s ARG 240 N -1.50 4.05 -0.08 1.61 3.00 -1.26 -2.40 118.95 122.37 1nie s ARG 240 Ca 0.43 -0.09 0.04 0.00 0.00 0.00 0.00 55.73 56.11 1nie s ARG 240 Cb -0.23 -3.60 -0.01 0.00 0.00 0.00 0.00 34.95 31.11 1nie s ARG 240 CO 0.28 -0.12 -0.20 0.08 0.00 0.00 0.00 175.30 175.34 1nie s VAL 241 N 1.58 2.48 -0.22 3.52 1.01 -0.06 -0.12 120.40 128.59 1nie s VAL 241 Ca 0.12 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 1nie s VAL 241 Cb -0.15 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1nie s VAL 241 CO 0.08 0.56 0.04 -0.22 0.00 0.00 0.00 175.10 175.57 1nie s LEU 242 N -0.10 3.44 -0.27 3.92 2.96 -0.42 -1.55 118.68 126.65 1nie s LEU 242 Ca -0.04 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.68 1nie s LEU 242 Cb -0.14 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.68 1nie s LEU 242 CO 0.04 0.04 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.40 1nie s VAL 243 N 1.18 3.22 -0.09 1.68 1.01 0.42 -1.78 120.40 126.04 1nie s VAL 243 Ca 0.04 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 60.91 1nie s VAL 243 Cb -0.14 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 1nie s VAL 243 CO 0.03 0.13 0.38 -0.69 0.00 0.00 0.00 175.10 174.95 1nie s VAL 244 N 1.37 5.19 -0.04 2.92 1.01 -0.61 -1.36 120.40 128.87 1nie s VAL 244 Ca 0.00 0.75 0.02 0.00 0.00 0.00 0.00 61.98 62.75 1nie s VAL 244 Cb -0.17 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.52 1nie s VAL 244 CO -0.02 0.45 -0.07 -2.28 0.00 0.00 0.00 175.10 173.18 1nie s HIS 245 N -0.10 0.91 0.07 5.22 5.04 -0.28 -0.60 115.29 125.54 1nie s HIS 245 Ca 0.22 -0.26 0.06 0.00 -1.54 0.00 0.00 55.06 53.53 1nie s HIS 245 Cb -0.15 -0.72 -0.03 0.00 0.04 0.00 0.00 32.58 31.72 1nie s HIS 245 CO 0.09 -0.17 -0.16 -1.54 -2.34 0.00 0.00 174.74 170.61 1nie s SER 246 N 0.65 1.93 -0.23 9.88 1.04 -0.89 -0.68 113.70 125.40 1nie s SER 246 Ca -0.10 -0.61 -0.03 0.00 0.48 0.00 0.00 55.95 55.69 1nie s SER 246 Cb -0.13 -0.09 0.10 0.00 0.10 0.00 0.00 66.02 66.01 1nie s SER 246 CO 0.01 -0.02 0.22 -1.58 0.98 0.00 0.00 173.24 172.85 1nie s GLN 247 N -1.68 0.22 0.06 4.02 -0.44 -0.87 -1.64 119.66 119.32 1nie s GLN 247 Ca 0.01 0.01 0.25 0.00 -2.50 0.00 0.00 55.36 53.13 1nie s GLN 247 Cb -0.10 -1.11 1.01 0.00 -1.64 0.00 0.00 33.01 31.18 1nie s GLN 247 CO 0.03 -0.79 1.79 0.00 0.50 0.00 0.00 175.29 176.81 1nie n ALA 248 N 5.31 2.14 0.00 1.58 0.00 -1.26 0.58 120.51 128.85 1nie n ALA 248 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1nie n ALA 248 Cb 0.48 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1nie n ALA 248 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1nie n ASN 249 N -1.72 0.25 -3.84 0.00 5.15 -1.26 -3.24 115.26 110.61 1nie n ASN 249 Ca 0.06 -0.01 -0.12 0.00 -0.60 0.00 0.00 54.58 53.91 1nie n ASN 249 Cb 0.32 0.07 -0.10 0.00 -0.53 0.00 0.00 39.78 39.54 1nie n ASN 249 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1nie s ARG 250 N -0.12 0.51 0.59 1.20 3.52 -1.26 -4.70 118.95 118.68 1nie s ARG 250 Ca 0.00 -0.29 -0.19 0.00 -0.13 0.00 0.00 55.73 55.13 1nie s ARG 250 Cb 0.00 0.22 -0.04 0.00 -1.56 0.00 0.00 34.95 33.57 1nie s ARG 250 CO 0.00 -0.12 1.19 -0.51 -0.81 0.00 0.00 175.30 175.05 1nie s ASP 251 N -1.23 5.24 0.12 -2.12 1.01 -1.26 -3.48 116.67 114.94 1nie s ASP 251 Ca -0.13 2.33 -0.05 0.00 0.71 0.00 0.00 52.55 55.42 1nie s ASP 251 Cb -0.06 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.25 1nie s ASP 251 CO 0.02 -1.56 0.14 0.28 0.21 0.00 0.00 175.17 174.26 1nie s THR 252 N -1.67 0.11 -0.42 -1.27 -1.32 -0.71 -4.86 115.64 105.50 1nie s THR 252 Ca 0.76 -1.62 0.04 0.00 -1.21 0.00 0.00 61.69 59.66 1nie s THR 252 Cb -0.29 -1.79 0.17 0.00 -1.51 0.00 0.00 72.50 69.07 1nie s THR 252 CO 0.33 -0.52 0.34 0.00 -2.21 0.00 0.00 174.62 172.55 1nie s ARG 253 N -3.97 0.97 0.67 7.08 1.70 -1.26 -1.30 118.95 122.83 1nie s ARG 253 Ca 0.16 -2.11 -0.17 0.00 -0.47 0.00 0.00 55.73 53.14 1nie s ARG 253 Cb 0.06 -1.53 0.00 0.00 -0.57 0.00 0.00 34.95 32.91 1nie s ARG 253 CO -0.02 -1.36 1.28 -2.14 -1.08 0.00 0.00 175.30 171.97 1nie s PRO 254 N 0.07 2.40 -0.24 3.89 0.02 -1.14 -0.28 135.00 139.73 1nie s PRO 254 Ca 0.31 2.02 -0.18 0.00 0.02 0.00 0.00 61.00 63.17 1nie s PRO 254 Cb 0.01 -1.83 0.07 0.00 0.02 0.00 0.00 34.50 32.76 1nie s PRO 254 CO -0.18 -1.70 0.60 -1.58 -0.33 0.00 0.00 177.00 173.82 1nie s HIS 255 N -1.51 -0.77 -0.44 6.54 2.46 0.33 -2.94 115.29 118.96 1nie s HIS 255 Ca 0.81 1.73 -0.13 0.00 0.47 0.00 0.00 55.06 57.94 1nie s HIS 255 Cb -0.36 0.35 0.06 0.00 -0.13 0.00 0.00 32.58 32.50 1nie s HIS 255 CO 0.41 -0.38 0.32 -1.17 -2.47 0.00 0.00 174.74 171.45 1nie s LEU 256 N 0.84 5.32 -0.16 8.88 2.96 -1.26 -0.85 118.68 134.42 1nie s LEU 256 Ca -0.04 -1.29 -0.29 0.00 -0.22 0.00 0.00 54.13 52.29 1nie s LEU 256 Cb -0.05 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1nie s LEU 256 CO -0.07 -0.56 1.74 -0.63 -1.32 0.00 0.00 176.35 175.51 1nie s ILE 257 N 1.57 3.50 0.00 6.68 1.01 0.65 -1.61 121.20 133.01 1nie s ILE 257 Ca 0.04 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.26 1nie s ILE 257 Cb -0.23 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.76 1nie s ILE 257 CO 0.06 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.43 1nie n GLY 258 N 4.68 0.31 0.00 6.18 0.00 -1.26 -3.79 105.19 111.32 1nie n GLY 258 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1nie n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nie n GLY 259 N -1.99 5.56 3.53 -0.02 0.00 -0.63 -5.03 105.19 106.61 1nie n GLY 259 Ca 0.00 -1.54 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 1nie n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nie s HIS 260 N -0.72 0.90 -0.52 1.61 0.09 -1.26 -4.72 115.29 110.67 1nie s HIS 260 Ca 0.00 -1.19 -0.06 0.00 -0.00 0.00 0.00 55.06 53.81 1nie s HIS 260 Cb 0.00 0.04 0.14 0.00 -0.00 0.00 0.00 32.58 32.75 1nie s HIS 260 CO 0.00 -1.17 0.36 0.20 -0.00 0.00 0.00 174.74 174.13 1nie s GLY 261 N -3.20 2.20 0.21 -2.22 0.00 -0.47 -4.77 107.32 99.08 1nie s GLY 261 Ca 0.28 -2.80 -0.09 0.00 0.00 0.00 0.00 44.72 42.11 1nie s GLY 261 CO 0.18 1.09 1.80 -0.55 0.00 0.00 0.00 173.10 175.63 1nie h ASP 262 N 7.88 0.53 -3.31 1.64 3.32 -1.61 -1.62 116.42 123.24 1nie h ASP 262 Ca -0.11 0.03 -0.43 0.00 0.02 0.00 0.00 57.03 56.54 1nie h ASP 262 Cb 1.03 -0.07 -0.37 0.00 0.22 0.00 0.00 39.33 40.14 1nie h ASP 262 CO 0.76 0.34 -0.77 -0.31 -1.72 0.00 0.00 179.24 177.54 1nie s TYR 263 N -6.09 0.75 -0.04 4.55 2.02 -1.01 -2.35 117.35 115.17 1nie s TYR 263 Ca -0.13 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.37 1nie s TYR 263 Cb 0.16 -0.79 0.01 0.00 -0.40 0.00 0.00 41.96 40.95 1nie s TYR 263 CO 0.76 -0.30 -0.08 0.08 -1.57 0.00 0.00 175.55 174.44 1nie s VAL 264 N 1.62 0.79 -0.66 0.71 1.01 0.16 -0.31 120.40 123.72 1nie s VAL 264 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 1nie s VAL 264 Cb -0.13 -0.74 0.17 0.00 0.00 0.00 0.00 36.38 35.68 1nie s VAL 264 CO -0.04 0.27 0.48 0.26 0.00 0.00 0.00 175.10 176.07 1nie s TRP 265 N 0.58 3.45 0.27 5.22 0.51 -0.07 -0.25 118.94 128.65 1nie s TRP 265 Ca -0.10 -2.83 -0.04 0.00 -2.12 0.00 0.00 56.10 51.02 1nie s TRP 265 Cb -0.13 -3.15 0.36 0.00 -0.81 0.00 0.00 33.47 29.74 1nie s TRP 265 CO 0.01 -0.80 1.92 0.00 -0.51 0.00 0.00 176.95 177.57 1nie h ALA 266 N 6.76 1.36 -0.60 0.98 0.00 -1.89 -1.13 119.26 124.74 1nie h ALA 266 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1nie h ALA 266 Cb 0.92 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1nie h ALA 266 CO 0.73 0.56 0.00 0.25 0.00 0.00 0.00 179.25 180.78 1nie n THR 267 N -4.43 1.16 -1.99 0.00 -2.24 -1.26 -4.22 114.28 101.29 1nie n THR 267 Ca 0.13 -0.91 -0.16 0.00 -2.27 0.00 0.00 64.05 60.84 1nie n THR 267 Cb 0.08 0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 1nie n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nie n GLY 268 N 1.29 0.40 3.29 3.38 0.00 -0.50 -4.76 105.19 108.28 1nie n GLY 268 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1nie n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nie s LYS 269 N -4.28 2.78 0.42 1.61 -0.14 -1.26 -0.94 119.74 117.94 1nie s LYS 269 Ca 0.00 -1.06 0.29 0.00 -1.36 0.00 0.00 55.97 53.84 1nie s LYS 269 Cb 0.00 -3.40 1.52 0.00 -1.68 0.00 0.00 37.83 34.27 1nie s LYS 269 CO 0.00 -0.58 1.88 0.74 -0.76 0.00 0.00 175.35 176.64 1nie h PHE 270 N 8.21 0.00 0.00 3.18 0.04 -1.91 -2.67 116.94 123.79 1nie h PHE 270 Ca -0.26 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.51 1nie h PHE 270 Cb 1.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.25 1nie h PHE 270 CO 0.60 0.00 0.00 0.54 -0.60 0.00 0.00 178.31 178.85 1nie n ARG 271 N -2.53 0.25 -3.88 1.51 1.74 -1.26 -4.71 116.66 107.77 1nie n ARG 271 Ca -0.01 0.08 -0.34 0.00 -0.77 0.00 0.00 57.85 56.80 1nie n ARG 271 Cb 0.08 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.97 1nie n ARG 271 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1nie s ASN 272 N -2.68 6.39 0.52 0.55 0.01 -1.01 -5.08 114.94 113.64 1nie s ASN 272 Ca 0.19 0.39 -0.20 0.00 -0.71 0.00 0.00 52.86 52.53 1nie s ASN 272 Cb 0.16 -2.02 -0.06 0.00 0.41 0.00 0.00 41.25 39.73 1nie s ASN 272 CO 0.37 0.28 1.14 -2.16 -1.51 0.00 0.00 177.10 175.22 1nie s PRO 273 N -1.78 3.48 0.69 -0.60 0.04 -1.26 -4.98 135.00 130.59 1nie s PRO 273 Ca 0.25 1.65 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 1nie s PRO 273 Cb -0.13 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1nie s PRO 273 CO 0.16 -0.76 1.06 -1.25 0.04 0.00 0.00 177.00 176.25 1nie s PRO 274 N -3.12 2.98 0.20 0.56 0.04 -1.26 -4.97 135.00 129.44 1nie s PRO 274 Ca 0.70 0.82 -0.23 0.00 0.04 0.00 0.00 61.00 62.33 1nie s PRO 274 Cb -0.25 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 1nie s PRO 274 CO 0.29 -1.03 0.76 -0.51 0.04 0.00 0.00 177.00 176.55 1nie s ASP 275 N -3.96 7.23 0.11 6.66 1.01 0.65 -4.81 116.67 123.57 1nie s ASP 275 Ca 0.58 1.55 0.02 0.00 0.71 0.00 0.00 52.55 55.41 1nie s ASP 275 Cb -0.13 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1nie s ASP 275 CO 0.54 0.11 0.21 -0.76 0.21 0.00 0.00 175.17 175.48 1nie s LEU 276 N -1.60 4.18 -1.13 1.23 1.43 -1.26 -0.66 118.68 120.87 1nie s LEU 276 Ca 0.40 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.59 1nie s LEU 276 Cb -0.20 -2.79 0.03 0.00 0.03 0.00 0.00 46.19 43.27 1nie s LEU 276 CO 0.23 0.11 0.25 0.47 0.23 0.00 0.00 176.35 177.65 1nie n ASP 277 N -0.09 -3.77 -4.77 2.29 8.00 -0.99 -4.93 116.55 112.29 1nie n ASP 277 Ca -0.07 -0.08 -0.40 0.00 0.71 0.00 0.00 54.79 54.95 1nie n ASP 277 Cb 0.53 -3.16 -0.01 0.00 -0.02 0.00 0.00 41.12 38.46 1nie n ASP 277 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1nie s GLN 278 N -5.51 4.20 -0.17 -1.24 -1.52 -0.62 -4.77 119.66 110.04 1nie s GLN 278 Ca 0.20 2.30 -0.10 0.00 -1.95 0.00 0.00 55.36 55.81 1nie s GLN 278 Cb -0.10 -2.97 -0.23 0.00 -0.22 0.00 0.00 33.01 29.49 1nie s GLN 278 CO 0.24 -0.35 0.22 -0.85 -0.25 0.00 0.00 175.29 174.30 1nie n GLU 279 N 0.56 0.69 -3.85 2.91 0.28 -1.26 -1.37 120.64 118.60 1nie n GLU 279 Ca 0.01 0.34 -0.12 0.00 -0.16 0.00 0.00 57.16 57.23 1nie n GLU 279 Cb 0.41 -1.69 -0.10 0.00 1.43 0.00 0.00 31.44 31.50 1nie n GLU 279 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1nie s THR 280 N -2.50 0.07 0.03 3.84 2.01 -1.26 -4.40 115.64 113.44 1nie s THR 280 Ca -0.26 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.15 1nie s THR 280 Cb 0.07 -0.45 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 1nie s THR 280 CO 0.69 -0.33 -0.04 -1.66 -0.69 0.00 0.00 174.62 172.59 1nie s TRP 281 N -1.25 0.43 -0.25 4.92 -2.14 -1.15 -5.03 118.94 114.47 1nie s TRP 281 Ca -0.13 -0.62 -0.11 0.00 2.66 0.00 0.00 56.10 57.90 1nie s TRP 281 Cb -0.07 -0.29 -0.05 0.00 -3.10 0.00 0.00 33.47 29.97 1nie s TRP 281 CO 0.02 -0.19 0.18 -1.17 -2.66 0.00 0.00 176.95 173.13 1nie s LEU 282 N -1.77 4.08 -0.32 -4.66 1.98 -1.26 -2.88 118.68 113.85 1nie s LEU 282 Ca -0.10 0.08 -0.07 0.00 -2.89 0.00 0.00 54.13 51.16 1nie s LEU 282 Cb -0.07 -2.13 0.03 0.00 0.66 0.00 0.00 46.19 44.68 1nie s LEU 282 CO -0.02 0.01 0.10 -0.63 -1.89 0.00 0.00 176.35 173.92 1nie s ILE 283 N 1.34 3.85 0.47 6.68 1.01 -0.42 -4.67 121.20 129.45 1nie s ILE 283 Ca 0.08 -0.97 -0.24 0.00 0.00 0.00 0.00 60.65 59.52 1nie s ILE 283 Cb -0.14 -3.11 -0.07 0.00 0.01 0.00 0.00 42.46 39.15 1nie s ILE 283 CO 0.07 -0.08 1.28 -2.84 0.00 0.00 0.00 174.94 173.37 1nie s PRO 284 N 1.44 3.65 0.28 2.79 0.02 -1.26 -1.75 135.00 140.17 1nie s PRO 284 Ca -0.00 2.06 -0.30 0.00 0.02 0.00 0.00 61.00 62.78 1nie s PRO 284 Cb -0.19 -2.49 -0.13 0.00 0.02 0.00 0.00 34.50 31.71 1nie s PRO 284 CO 0.03 -0.72 1.40 0.41 -0.33 0.00 0.00 177.00 177.79 1nie n GLY 285 N 0.61 0.81 0.97 0.52 0.00 -1.23 -2.06 105.19 104.81 1nie n GLY 285 Ca 0.07 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1nie n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nie n GLY 286 N 1.77 0.81 3.11 -0.02 0.00 0.20 -4.76 105.19 106.29 1nie n GLY 286 Ca 0.09 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 1nie n GLY 286 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nie s THR 287 N -2.00 0.17 -0.01 2.61 2.01 -0.88 -4.77 115.64 112.76 1nie s THR 287 Ca 0.00 -1.38 0.07 0.00 0.31 0.00 0.00 61.69 60.70 1nie s THR 287 Cb 0.00 -1.16 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 1nie s THR 287 CO 0.00 -0.76 -0.23 0.00 -0.69 0.00 0.00 174.62 172.94 1nie s ALA 288 N -3.24 1.93 0.31 7.40 0.00 -1.26 -2.06 121.76 124.84 1nie s ALA 288 Ca 0.01 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 50.98 1nie s ALA 288 Cb 0.03 -0.48 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 1nie s ALA 288 CO -0.08 0.47 0.09 0.20 0.00 0.00 0.00 175.76 176.44 1nie s GLY 289 N -0.60 2.04 -0.04 0.00 0.00 0.14 -3.11 107.32 105.76 1nie s GLY 289 Ca 0.09 -1.86 -0.04 0.00 0.00 0.00 0.00 44.72 42.91 1nie s GLY 289 CO -0.01 -1.74 0.11 0.00 0.00 0.00 0.00 173.10 171.47 1nie s ALA 290 N -3.45 -0.26 -0.03 3.20 0.00 -0.78 -1.13 121.76 119.32 1nie s ALA 290 Ca 0.35 0.34 0.04 0.00 0.00 0.00 0.00 51.96 52.69 1nie s ALA 290 Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1nie s ALA 290 CO 0.15 -0.06 -0.15 0.00 0.00 0.00 0.00 175.76 175.70 1nie s ALA 291 N 0.17 1.33 -0.11 0.00 0.00 -0.47 -0.89 121.76 121.80 1nie s ALA 291 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1nie s ALA 291 Cb -0.02 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 1nie s ALA 291 CO -0.00 0.27 -0.11 0.12 0.00 0.00 0.00 175.76 176.03 1nie s PHE 292 N -0.09 2.83 -0.05 0.00 2.19 0.58 -0.44 117.98 123.00 1nie s PHE 292 Ca 0.00 -0.42 -0.10 0.00 0.33 0.00 0.00 56.93 56.74 1nie s PHE 292 Cb -0.09 -1.80 0.02 0.00 -1.31 0.00 0.00 43.02 39.84 1nie s PHE 292 CO 0.01 -0.04 0.25 -0.47 1.83 0.00 0.00 175.22 176.79 1nie s TYR 293 N -0.01 -0.18 -0.23 10.12 5.04 -0.60 -1.66 117.35 129.84 1nie s TYR 293 Ca -0.03 0.37 -0.05 0.00 -2.44 0.00 0.00 57.07 54.92 1nie s TYR 293 Cb -0.14 0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.22 1nie s TYR 293 CO 0.04 -0.25 -0.02 0.99 -1.34 0.00 0.00 175.55 174.96 1nie s THR 294 N -0.69 3.58 0.18 4.34 2.01 -1.26 -0.88 115.64 122.92 1nie s THR 294 Ca -0.08 -0.42 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 1nie s THR 294 Cb -0.04 -2.64 -0.09 0.00 0.01 0.00 0.00 72.50 69.74 1nie s THR 294 CO 0.02 0.41 1.37 -0.36 -0.69 0.00 0.00 174.62 175.37 1nie s PHE 295 N 1.49 3.20 0.00 4.92 0.08 -1.01 -4.91 117.98 121.76 1nie s PHE 295 Ca 0.06 1.07 0.00 0.00 0.12 0.00 0.00 56.93 58.18 1nie s PHE 295 Cb -0.14 -3.68 0.00 0.00 -0.57 0.00 0.00 43.02 38.62 1nie s PHE 295 CO -0.02 -2.26 0.00 0.54 -0.10 0.00 0.00 175.22 173.39 1nie n ARG 296 N 3.07 6.17 -4.09 0.44 1.74 -1.26 -0.35 116.66 122.38 1nie n ARG 296 Ca 0.08 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.02 1nie n ARG 296 Cb 0.42 -0.49 -0.13 0.00 -1.02 0.00 0.00 32.46 31.24 1nie n ARG 296 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1nie s GLN 297 N -0.98 0.46 0.65 5.56 -1.52 -1.26 -4.66 119.66 117.91 1nie s GLN 297 Ca 0.00 -0.51 -0.04 0.00 -1.95 0.00 0.00 55.36 52.86 1nie s GLN 297 Cb 0.00 -0.31 0.05 0.00 -0.22 0.00 0.00 33.01 32.53 1nie s GLN 297 CO 0.00 0.07 0.93 -1.25 -0.25 0.00 0.00 175.29 174.79 1nie s PRO 298 N -0.96 2.35 0.00 2.91 0.04 -1.26 -4.81 135.00 133.27 1nie s PRO 298 Ca -0.05 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 60.58 1nie s PRO 298 Cb -0.07 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1nie s PRO 298 CO 0.00 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.41 1nie n GLY 299 N -2.72 0.30 3.80 0.56 0.00 0.04 -4.93 105.19 102.24 1nie n GLY 299 Ca 0.08 -2.31 -0.38 0.00 0.00 0.00 0.00 46.02 43.41 1nie n GLY 299 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nie s VAL 300 N -0.13 5.10 0.02 1.61 1.01 -1.26 -0.94 120.40 125.80 1nie s VAL 300 Ca 0.00 0.82 0.07 0.00 0.00 0.00 0.00 61.98 62.87 1nie s VAL 300 Cb 0.00 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1nie s VAL 300 CO 0.00 0.51 -0.21 -0.31 0.00 0.00 0.00 175.10 175.09 1nie s TYR 301 N -0.56 1.85 -0.19 5.22 1.51 0.11 -4.98 117.35 120.31 1nie s TYR 301 Ca 0.23 -0.37 -0.07 0.00 -1.01 0.00 0.00 57.07 55.86 1nie s TYR 301 Cb -0.16 -1.14 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 1nie s TYR 301 CO 0.12 0.04 0.06 0.00 -1.11 0.00 0.00 175.55 174.65 1nie s ALA 302 N -0.66 3.35 -0.28 3.71 0.00 -1.25 -1.00 121.76 125.64 1nie s ALA 302 Ca 0.08 -0.79 -0.09 0.00 0.00 0.00 0.00 51.96 51.15 1nie s ALA 302 Cb -0.08 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 1nie s ALA 302 CO 0.01 0.10 0.13 -0.47 0.00 0.00 0.00 175.76 175.53 1nie s TYR 303 N 0.51 3.15 0.11 0.00 5.04 0.03 -0.25 117.35 125.94 1nie s TYR 303 Ca 0.03 -0.33 -0.00 0.00 -2.44 0.00 0.00 57.07 54.32 1nie s TYR 303 Cb -0.13 -2.31 -0.04 0.00 0.35 0.00 0.00 41.96 39.83 1nie s TYR 303 CO 0.01 -0.34 0.01 0.14 -1.34 0.00 0.00 175.55 174.03 1nie s VAL 304 N 1.65 0.28 -0.20 3.14 -7.23 -0.03 -0.99 120.40 117.03 1nie s VAL 304 Ca 0.06 -1.90 -0.25 0.00 -1.81 0.00 0.00 61.98 58.09 1nie s VAL 304 Cb -0.16 -1.88 -0.01 0.00 0.56 0.00 0.00 36.38 34.89 1nie s VAL 304 CO 0.06 -0.65 0.82 0.21 -0.31 0.00 0.00 175.10 175.23 1nie s ASN 305 N -3.03 6.89 0.00 4.85 3.84 -1.12 -0.51 114.94 125.86 1nie s ASN 305 Ca 0.18 1.10 0.00 0.00 0.21 0.00 0.00 52.86 54.35 1nie s ASN 305 Cb 0.07 -2.44 0.00 0.00 -0.55 0.00 0.00 41.25 38.33 1nie s ASN 305 CO -0.02 -0.43 0.55 1.57 -2.79 0.00 0.00 177.10 175.98 1nie n HIS 306 N 5.51 0.00 -3.05 0.43 -0.00 0.62 -4.14 115.22 114.58 1nie n HIS 306 Ca 0.04 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.33 1nie n HIS 306 Cb 0.48 -0.04 -0.05 0.00 -0.00 0.00 0.00 29.99 30.39 1nie n HIS 306 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1nie s ASN 307 N -0.73 6.21 0.65 0.26 3.04 -1.26 -4.91 114.94 118.19 1nie s ASN 307 Ca 0.00 -1.07 0.40 0.00 0.04 0.00 0.00 52.86 52.23 1nie s ASN 307 Cb 0.00 -2.33 2.23 0.00 -1.54 0.00 0.00 41.25 39.60 1nie s ASN 307 CO 0.00 -1.12 2.31 -0.07 -3.04 0.00 0.00 177.10 175.18 1nie h LEU 308 N 10.26 0.00 -0.09 3.21 3.38 -1.99 -0.72 115.31 129.35 1nie h LEU 308 Ca -0.28 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 1nie h LEU 308 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1nie h LEU 308 CO 1.07 0.00 -0.31 0.40 0.09 0.00 0.00 178.44 179.69 1nie h ILE 309 N 0.00 1.40 -0.43 1.22 2.04 -1.91 0.29 117.51 120.13 1nie h ILE 309 Ca 0.00 -1.65 -0.05 0.00 1.00 0.00 0.00 64.86 64.16 1nie h ILE 309 Cb 0.08 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1nie h ILE 309 CO -0.00 0.48 0.04 -0.33 0.00 0.00 0.00 178.15 178.34 1nie h GLU 310 N -0.08 0.67 0.22 2.37 5.08 -1.52 0.13 114.58 121.44 1nie h GLU 310 Ca -0.01 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1nie h GLU 310 Cb 0.93 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1nie h GLU 310 CO 0.07 0.66 -0.11 0.00 -1.00 0.00 0.00 179.01 178.63 1nie h ALA 311 N 1.40 -0.30 0.00 3.43 0.00 -1.17 -2.20 119.26 120.43 1nie h ALA 311 Ca 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1nie h ALA 311 Cb 0.35 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1nie h ALA 311 CO 0.01 -0.33 -1.05 0.74 0.00 0.00 0.00 179.25 178.61 1nie h PHE 312 N -0.96 0.00 0.01 0.00 0.04 -0.94 -2.79 116.94 112.29 1nie h PHE 312 Ca -0.03 0.00 -0.40 0.00 2.80 0.00 0.00 57.97 60.34 1nie h PHE 312 Cb 0.46 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.54 1nie h PHE 312 CO 0.06 0.15 -2.46 0.39 -0.60 0.00 0.00 178.31 175.85 1nie n GLU 313 N -2.76 0.65 0.07 1.51 -0.58 0.36 -4.69 120.64 115.20 1nie n GLU 313 Ca -0.02 0.18 0.12 0.00 -0.42 0.00 0.00 57.16 57.01 1nie n GLU 313 Cb 0.62 -1.53 0.07 0.00 -0.57 0.00 0.00 31.44 30.04 1nie n GLU 313 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1nie n LEU 314 N -3.43 0.74 0.00 -4.62 4.32 -0.71 -5.00 117.00 108.31 1nie n LEU 314 Ca -0.47 0.23 0.00 0.00 -0.02 0.00 0.00 56.01 55.75 1nie n LEU 314 Cb 0.98 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.66 1nie n LEU 314 CO 0.23 -0.09 0.00 0.61 -1.22 0.00 0.00 177.39 176.92 1nie n GLY 315 N 1.28 1.10 2.56 -0.72 0.00 -1.04 -2.19 105.19 106.18 1nie n GLY 315 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1nie n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nie n ALA 316 N -0.18 6.41 -3.30 4.61 0.00 0.40 -4.15 120.51 124.31 1nie n ALA 316 Ca 0.00 -3.81 -0.13 0.00 0.00 0.00 0.00 53.44 49.50 1nie n ALA 316 Cb 0.00 -3.35 -0.12 0.00 0.00 0.00 0.00 19.45 15.98 1nie n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nie s ALA 317 N 2.12 -0.70 0.26 0.00 0.00 -1.25 -2.77 121.76 119.41 1nie s ALA 317 Ca 0.55 0.88 0.02 0.00 0.00 0.00 0.00 51.96 53.42 1nie s ALA 317 Cb 0.15 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1nie s ALA 317 CO -0.07 -0.15 0.18 0.20 0.00 0.00 0.00 175.76 175.91 1nie s GLY 318 N 0.41 1.84 0.17 0.00 0.00 -0.16 -4.56 107.32 105.02 1nie s GLY 318 Ca -0.02 -1.82 0.08 0.00 0.00 0.00 0.00 44.72 42.95 1nie s GLY 318 CO -0.02 -1.47 -0.16 0.30 0.00 0.00 0.00 173.10 171.75 1nie s HIS 319 N -3.82 1.71 -0.06 1.90 3.76 -0.02 -0.79 115.29 117.96 1nie s HIS 319 Ca 0.39 -0.52 0.02 0.00 -0.15 0.00 0.00 55.06 54.80 1nie s HIS 319 Cb 0.05 -0.84 0.01 0.00 1.11 0.00 0.00 32.58 32.92 1nie s HIS 319 CO 0.18 0.31 -0.12 -0.06 -0.85 0.00 0.00 174.74 174.19 1nie s PHE 320 N -2.39 1.43 -0.22 1.40 0.08 -0.17 -0.65 117.98 117.47 1nie s PHE 320 Ca 0.17 -0.50 -0.01 0.00 0.12 0.00 0.00 56.93 56.71 1nie s PHE 320 Cb -0.04 -1.04 0.02 0.00 -0.57 0.00 0.00 43.02 41.39 1nie s PHE 320 CO 0.06 -0.25 -0.11 0.15 -0.10 0.00 0.00 175.22 174.97 1nie s LYS 321 N 0.57 2.94 -0.09 0.44 1.02 -0.10 -0.71 119.74 123.82 1nie s LYS 321 Ca -0.13 -0.89 0.01 0.00 0.02 0.00 0.00 55.97 54.99 1nie s LYS 321 Cb -0.15 -2.84 -0.02 0.00 -0.52 0.00 0.00 37.83 34.30 1nie s LYS 321 CO 0.03 -0.31 -0.12 0.08 -0.92 0.00 0.00 175.35 174.11 1nie s VAL 322 N 1.33 3.19 0.19 3.17 1.01 -0.11 -2.78 120.40 126.39 1nie s VAL 322 Ca 0.02 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1nie s VAL 322 Cb -0.15 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1nie s VAL 322 CO -0.07 0.56 0.32 0.42 0.00 0.00 0.00 175.10 176.33 1nie s THR 323 N -0.21 5.29 -5.00 3.92 -4.23 -0.70 -0.78 115.64 113.92 1nie s THR 323 Ca 0.01 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 1nie s THR 323 Cb -0.13 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.92 1nie s THR 323 CO 0.03 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 1nie n GLY 324 N -0.91 0.94 3.82 3.99 0.00 -1.26 -0.46 105.19 111.30 1nie n GLY 324 Ca -0.08 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 1nie n GLY 324 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nie s GLU 325 N -1.52 4.04 0.26 1.61 2.12 -1.26 -4.70 118.70 119.24 1nie s GLU 325 Ca 0.00 0.50 -0.29 0.00 0.36 0.00 0.00 54.97 55.54 1nie s GLU 325 Cb 0.00 -3.25 -0.09 0.00 0.26 0.00 0.00 34.13 31.05 1nie s GLU 325 CO 0.00 0.61 1.20 -0.46 -0.54 0.00 0.00 175.26 176.08 1nie s TRP 326 N -0.88 3.37 -0.41 5.30 -0.11 -1.26 -4.49 118.94 120.46 1nie s TRP 326 Ca 0.25 1.50 -0.10 0.00 1.22 0.00 0.00 56.10 58.98 1nie s TRP 326 Cb -0.17 -3.46 0.06 0.00 -1.50 0.00 0.00 33.47 28.41 1nie s TRP 326 CO 0.14 -1.20 0.24 1.21 -4.62 0.00 0.00 176.95 172.73 1nie s ASN 327 N -0.36 5.66 0.44 5.86 3.84 -1.26 -4.96 114.94 124.15 1nie s ASN 327 Ca 0.49 -1.36 0.30 0.00 0.21 0.00 0.00 52.86 52.50 1nie s ASN 327 Cb -0.35 -2.00 1.18 0.00 -0.55 0.00 0.00 41.25 39.54 1nie s ASN 327 CO 0.42 -0.50 1.87 0.44 -2.79 0.00 0.00 177.10 176.55 1nie h ASP 328 N 8.41 0.00 -0.24 -4.21 3.32 -1.96 -2.85 116.42 118.89 1nie h ASP 328 Ca -0.24 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.65 1nie h ASP 328 Cb 1.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1nie h ASP 328 CO 0.73 0.00 -0.46 -0.78 -1.72 0.00 0.00 179.24 177.02 1nie h ASP 329 N 0.00 0.88 -0.22 6.45 3.58 -2.02 -3.22 116.42 121.87 1nie h ASP 329 Ca 0.00 -0.43 -0.14 0.00 0.42 0.00 0.00 57.03 56.88 1nie h ASP 329 Cb 0.49 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1nie h ASP 329 CO 0.00 1.20 -0.40 -0.07 -2.88 0.00 0.00 179.24 177.08 1nie h LEU 330 N 0.65 0.73 -7.06 2.28 4.07 -1.95 -3.46 115.31 110.58 1nie h LEU 330 Ca 0.04 -0.54 -0.06 0.00 0.08 0.00 0.00 57.88 57.40 1nie h LEU 330 Cb 1.03 -0.21 -0.21 0.00 1.08 0.00 0.00 40.66 42.35 1nie h LEU 330 CO 0.10 1.13 0.08 -0.32 -1.08 0.00 0.00 178.44 178.35 1nie s MET 331 N -4.09 0.81 -0.14 1.13 1.75 -1.11 -5.15 119.30 112.50 1nie s MET 331 Ca -0.12 0.84 -0.25 0.00 -1.25 0.00 0.00 55.69 54.91 1nie s MET 331 Cb 0.08 0.39 0.06 0.00 2.84 0.00 0.00 34.83 38.20 1nie s MET 331 CO 0.84 -0.12 0.61 -0.08 -0.65 0.00 0.00 175.02 175.62 1nie s THR 332 N 0.16 0.01 -0.50 10.11 -1.32 -1.26 -4.14 115.64 118.70 1nie s THR 332 Ca -0.01 -0.06 -0.23 0.00 -1.21 0.00 0.00 61.69 60.17 1nie s THR 332 Cb -0.04 -0.89 0.04 0.00 -1.51 0.00 0.00 72.50 70.09 1nie s THR 332 CO 0.02 -0.03 0.84 -0.55 -2.21 0.00 0.00 174.62 172.69 1nie s SER 333 N -0.46 6.37 -0.02 8.08 0.15 -1.26 -4.92 113.70 121.64 1nie s SER 333 Ca -0.06 -0.27 -0.25 0.00 0.70 0.00 0.00 55.95 56.08 1nie s SER 333 Cb -0.03 -2.40 -0.20 0.00 -1.71 0.00 0.00 66.02 61.68 1nie s SER 333 CO 0.05 -1.05 1.22 0.58 1.20 0.00 0.00 173.24 175.24 1nie h VAL 334 N 5.99 1.43 -3.43 4.45 2.07 -2.02 -3.42 116.25 121.32 1nie h VAL 334 Ca -0.25 -1.37 -0.57 0.00 0.82 0.00 0.00 66.70 65.33 1nie h VAL 334 Cb 1.08 2.25 -0.38 0.00 -1.52 0.00 0.00 31.29 32.72 1nie h VAL 334 CO 1.02 0.37 -0.79 -0.69 0.02 0.00 0.00 177.57 177.50 1nie s VAL 335 N -3.99 1.20 0.59 2.57 1.01 -1.26 -5.12 120.40 115.39 1nie s VAL 335 Ca -0.16 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 60.79 1nie s VAL 335 Cb 0.02 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1nie s VAL 335 CO 0.70 0.01 1.26 -0.54 0.00 0.00 0.00 175.10 176.53 1nie s LYS 336 N 1.57 2.94 -0.09 2.72 -0.14 -1.26 -4.87 119.74 120.60 1nie s LYS 336 Ca -0.02 1.98 -0.38 0.00 -1.36 0.00 0.00 55.97 56.19 1nie s LYS 336 Cb -0.17 -2.00 -0.16 0.00 -1.68 0.00 0.00 37.83 33.82 1nie s LYS 336 CO -0.07 -1.27 1.60 -2.30 -0.76 0.00 0.00 175.35 172.54 1nie n PRO 337 N -1.49 1.32 -3.71 -1.68 -0.02 -1.26 -4.95 135.00 123.21 1nie n PRO 337 Ca 0.13 0.48 -0.10 0.00 -2.02 0.00 0.00 63.50 61.99 1nie n PRO 337 Cb 0.48 -2.17 -0.04 0.00 -0.02 0.00 0.00 33.50 31.75 1nie n PRO 337 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nie s ALA 338 N 2.28 -0.89 0.21 3.55 0.00 -1.26 -5.14 121.76 120.51 1nie s ALA 338 Ca 0.91 -0.18 -0.32 0.00 0.00 0.00 0.00 51.96 52.37 1nie s ALA 338 Cb -0.96 0.81 -0.12 0.00 0.00 0.00 0.00 23.12 22.84 1nie s ALA 338 CO 0.55 -0.74 1.70 0.43 0.00 0.00 0.00 175.76 177.71 1nie n SER 339 N -0.30 3.90 0.00 0.00 7.64 -1.26 -5.26 113.62 118.34 1nie n SER 339 Ca -0.12 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.83 1nie n SER 339 Cb 0.63 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1nie n SER 339 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26