#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nic h ILE 9 N 0.00 1.21 -0.78 5.18 1.08 -2.04 -2.32 117.51 119.84 1nic h ILE 9 Ca 0.00 -0.80 0.18 0.00 -0.39 0.00 0.00 64.86 63.85 1nic h ILE 9 Cb 0.00 0.83 -0.12 0.00 -3.07 0.00 0.00 36.82 34.46 1nic h ILE 9 CO 0.00 0.28 0.21 0.77 -0.69 0.00 0.00 178.15 178.72 1nic h SER 10 N 0.63 0.05 0.84 1.72 4.64 -2.06 -1.13 113.55 118.24 1nic h SER 10 Ca 0.14 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1nic h SER 10 Cb 0.32 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1nic h SER 10 CO 0.01 -0.05 0.00 0.41 -0.87 0.00 0.00 176.83 176.33 1nic n THR 11 N -5.15 0.11 -2.62 2.95 -1.04 -0.88 -4.89 114.28 102.76 1nic n THR 11 Ca 0.16 0.03 -0.32 0.00 -2.04 0.00 0.00 64.05 61.87 1nic n THR 11 Cb 0.51 -0.56 -0.05 0.00 -1.82 0.00 0.00 70.33 68.41 1nic n THR 11 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1nic s LEU 12 N -2.89 3.78 0.60 -4.42 1.43 -0.43 -5.04 118.68 111.70 1nic s LEU 12 Ca 0.17 1.60 -0.15 0.00 -1.03 0.00 0.00 54.13 54.72 1nic s LEU 12 Cb 0.18 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 1nic s LEU 12 CO 0.48 -0.47 1.04 -2.16 0.23 0.00 0.00 176.35 175.47 1nic s PRO 13 N -3.64 3.40 0.00 1.29 0.04 -1.26 -4.86 135.00 129.96 1nic s PRO 13 Ca 0.60 1.07 0.03 0.00 0.04 0.00 0.00 61.00 62.74 1nic s PRO 13 Cb -0.10 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 1nic s PRO 13 CO 0.23 -0.74 -0.10 1.03 0.04 0.00 0.00 177.00 177.47 1nic s ARG 14 N -4.34 0.78 -0.03 4.56 0.52 -1.26 -1.38 118.95 117.80 1nic s ARG 14 Ca 0.61 -0.41 0.01 0.00 -0.52 0.00 0.00 55.73 55.42 1nic s ARG 14 Cb -0.14 -0.74 0.01 0.00 0.52 0.00 0.00 34.95 34.60 1nic s ARG 14 CO 0.40 0.20 -0.05 0.54 0.02 0.00 0.00 175.30 176.41 1nic s VAL 15 N -0.36 0.52 -0.09 3.52 0.11 -0.88 -4.98 120.40 118.24 1nic s VAL 15 Ca 0.03 -0.18 -0.13 0.00 -2.93 0.00 0.00 61.98 58.77 1nic s VAL 15 Cb -0.04 -0.50 -0.05 0.00 -1.53 0.00 0.00 36.38 34.25 1nic s VAL 15 CO -0.00 0.19 0.31 -0.75 -3.33 0.00 0.00 175.10 171.52 1nic s LYS 16 N 0.50 3.97 -0.07 1.54 2.47 -1.26 -1.41 119.74 125.47 1nic s LYS 16 Ca -0.06 0.18 0.04 0.00 -1.56 0.00 0.00 55.97 54.56 1nic s LYS 16 Cb -0.10 -3.30 0.00 0.00 -1.46 0.00 0.00 37.83 32.97 1nic s LYS 16 CO 0.00 0.51 -0.19 0.54 0.16 0.00 0.00 175.35 176.37 1nic s VAL 17 N -0.40 1.63 -0.21 4.02 0.11 -0.70 -4.95 120.40 119.90 1nic s VAL 17 Ca 0.19 -0.79 -0.17 0.00 -2.93 0.00 0.00 61.98 58.28 1nic s VAL 17 Cb -0.14 -1.42 -0.03 0.00 -1.53 0.00 0.00 36.38 33.25 1nic s VAL 17 CO 0.08 0.46 0.46 -1.81 -3.33 0.00 0.00 175.10 170.96 1nic s ASP 18 N 0.33 6.47 0.63 3.54 1.01 -1.26 -4.59 116.67 122.80 1nic s ASP 18 Ca -0.13 0.56 -0.13 0.00 0.71 0.00 0.00 52.55 53.56 1nic s ASP 18 Cb -0.16 -2.26 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 1nic s ASP 18 CO 0.05 -0.15 1.05 -0.76 0.21 0.00 0.00 175.17 175.57 1nic s LEU 19 N 1.63 3.31 0.22 1.23 2.01 -1.26 -4.85 118.68 120.97 1nic s LEU 19 Ca 0.21 1.64 0.10 0.00 0.01 0.00 0.00 54.13 56.08 1nic s LEU 19 Cb -0.15 -4.50 -0.05 0.00 0.01 0.00 0.00 46.19 41.50 1nic s LEU 19 CO 0.09 -1.17 -0.18 0.68 1.01 0.00 0.00 176.35 176.77 1nic s VAL 20 N -2.85 2.08 0.26 -1.59 -7.23 -1.26 -5.00 120.40 104.81 1nic s VAL 20 Ca 0.59 -2.19 -0.29 0.00 -1.81 0.00 0.00 61.98 58.28 1nic s VAL 20 Cb -0.14 -2.09 -0.09 0.00 0.56 0.00 0.00 36.38 34.62 1nic s VAL 20 CO 0.47 -0.41 1.26 -0.54 -0.31 0.00 0.00 175.10 175.57 1nic s LYS 21 N -3.28 4.44 0.72 4.82 3.01 -1.26 -4.59 119.74 123.60 1nic s LYS 21 Ca 0.23 2.05 -0.15 0.00 -1.01 0.00 0.00 55.97 57.09 1nic s LYS 21 Cb -0.04 -3.15 0.04 0.00 -1.01 0.00 0.00 37.83 33.66 1nic s LYS 21 CO 0.10 -0.12 1.21 -2.14 0.51 0.00 0.00 175.35 174.91 1nic s PRO 22 N -1.01 2.17 0.00 -1.68 0.02 -1.26 -1.96 135.00 131.28 1nic s PRO 22 Ca 0.51 1.77 0.24 0.00 0.02 0.00 0.00 61.00 63.53 1nic s PRO 22 Cb -0.36 -1.84 1.41 0.00 0.02 0.00 0.00 34.50 33.73 1nic s PRO 22 CO 0.44 -1.81 1.83 -0.35 -0.33 0.00 0.00 177.00 176.78 1nic n PRO 23 N -2.67 0.88 -1.98 5.54 -0.04 -1.26 -5.04 135.00 130.43 1nic n PRO 23 Ca 0.13 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.28 1nic n PRO 23 Cb 0.50 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1nic n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1nic s PHE 24 N -2.00 3.59 -0.01 0.54 0.08 -0.83 -0.86 117.98 118.48 1nic s PHE 24 Ca 0.35 1.33 0.04 0.00 0.12 0.00 0.00 56.93 58.78 1nic s PHE 24 Cb 0.16 -2.74 -0.01 0.00 -0.57 0.00 0.00 43.02 39.86 1nic s PHE 24 CO 0.27 -0.63 -0.14 0.08 -0.10 0.00 0.00 175.22 174.70 1nic s VAL 25 N -3.06 1.13 0.70 -0.44 1.01 -1.26 -4.60 120.40 113.88 1nic s VAL 25 Ca 0.56 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 1nic s VAL 25 Cb -0.11 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.35 1nic s VAL 25 CO 0.49 0.32 1.23 -1.38 0.00 0.00 0.00 175.10 175.76 1nic s HIS 26 N -0.34 2.09 0.44 5.22 -3.43 -1.26 -4.94 115.29 113.06 1nic s HIS 26 Ca 0.05 1.56 -0.26 0.00 -0.80 0.00 0.00 55.06 55.62 1nic s HIS 26 Cb -0.06 -3.53 -0.09 0.00 -1.43 0.00 0.00 32.58 27.48 1nic s HIS 26 CO -0.01 -2.65 1.42 0.00 -2.00 0.00 0.00 174.74 171.51 1nic n ALA 27 N -2.41 1.99 -3.78 -1.38 0.00 -1.26 -4.98 120.51 108.68 1nic n ALA 27 Ca 0.14 0.26 -0.04 0.00 0.00 0.00 0.00 53.44 53.80 1nic n ALA 27 Cb 0.50 -2.38 -0.01 0.00 0.00 0.00 0.00 19.45 17.55 1nic n ALA 27 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1nic s HIS 28 N -1.18 -0.14 -0.11 0.00 -3.43 -1.26 -5.05 115.29 104.11 1nic s HIS 28 Ca 0.60 -0.21 -0.02 0.00 -0.80 0.00 0.00 55.06 54.63 1nic s HIS 28 Cb -0.46 0.66 -0.03 0.00 -1.43 0.00 0.00 32.58 31.32 1nic s HIS 28 CO 0.58 -0.92 -0.02 -0.51 -2.00 0.00 0.00 174.74 171.87 1nic s ASP 29 N -2.95 5.02 -0.04 7.38 1.01 -1.26 -5.03 116.67 120.79 1nic s ASP 29 Ca 0.12 0.02 -0.21 0.00 0.71 0.00 0.00 52.55 53.19 1nic s ASP 29 Cb -0.02 -1.56 -0.15 0.00 1.01 0.00 0.00 42.92 42.19 1nic s ASP 29 CO 0.03 0.29 0.92 1.56 0.21 0.00 0.00 175.17 178.18 1nic h GLN 30 N 5.81 -0.25 -5.53 8.23 4.20 -1.97 -3.42 115.11 122.19 1nic h GLN 30 Ca -0.43 0.02 -0.60 0.00 0.06 0.00 0.00 58.65 57.71 1nic h GLN 30 Cb 1.19 0.06 -0.10 0.00 0.30 0.00 0.00 27.48 28.92 1nic h GLN 30 CO 0.58 0.15 -0.12 0.08 -0.67 0.00 0.00 178.83 178.85 1nic s VAL 31 N -3.60 5.16 0.13 -0.54 1.01 -1.26 -3.54 120.40 117.76 1nic s VAL 31 Ca -0.13 0.85 -0.31 0.00 0.00 0.00 0.00 61.98 62.39 1nic s VAL 31 Cb 0.01 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 1nic s VAL 31 CO 0.47 0.24 1.63 0.00 0.00 0.00 0.00 175.10 177.44 1nic s ALA 32 N 1.31 3.75 -0.34 5.51 0.00 -0.07 -4.91 121.76 127.02 1nic s ALA 32 Ca 0.22 1.33 0.22 0.00 0.00 0.00 0.00 51.96 53.74 1nic s ALA 32 Cb -0.15 -3.66 -0.08 0.00 0.00 0.00 0.00 23.12 19.23 1nic s ALA 32 CO 0.09 -0.94 0.88 1.63 0.00 0.00 0.00 175.76 177.42 1nic n LYS 33 N 4.70 0.49 -4.69 0.00 4.01 -1.26 -4.97 118.16 116.44 1nic n LYS 33 Ca 0.15 -0.02 -0.31 0.00 -0.51 0.00 0.00 58.31 57.62 1nic n LYS 33 Cb 0.39 -1.65 -0.08 0.00 -0.51 0.00 0.00 35.03 33.19 1nic n LYS 33 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1nic s THR 34 N -3.34 0.90 0.00 -0.18 -4.23 -1.26 -5.16 115.64 102.37 1nic s THR 34 Ca -0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1nic s THR 34 Cb 0.13 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.80 1nic s THR 34 CO 0.83 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.52 1nic n GLY 35 N -1.17 0.22 3.70 3.99 0.00 -1.26 -5.01 105.19 105.67 1nic n GLY 35 Ca -0.16 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 1nic n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nic n PRO 36 N -0.97 2.12 -4.26 1.61 -0.02 -1.26 -5.01 135.00 127.20 1nic n PRO 36 Ca 0.00 0.74 -0.14 0.00 -2.02 0.00 0.00 63.50 62.08 1nic n PRO 36 Cb 0.00 -2.36 -0.10 0.00 -0.02 0.00 0.00 33.50 31.02 1nic n PRO 36 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1nic s ARG 37 N -1.96 1.30 -0.30 -0.52 0.52 -1.26 -4.52 118.95 112.20 1nic s ARG 37 Ca 0.56 -1.69 -0.12 0.00 -0.52 0.00 0.00 55.73 53.97 1nic s ARG 37 Cb -0.55 -0.04 -0.04 0.00 0.52 0.00 0.00 34.95 34.84 1nic s ARG 37 CO 0.62 -0.32 0.22 0.08 0.02 0.00 0.00 175.30 175.91 1nic s VAL 38 N -3.92 5.30 -0.29 3.52 1.01 -0.48 -1.14 120.40 124.41 1nic s VAL 38 Ca 0.37 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.30 1nic s VAL 38 Cb 0.07 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1nic s VAL 38 CO 0.12 0.15 0.14 -0.69 0.00 0.00 0.00 175.10 174.82 1nic s VAL 39 N 1.76 4.72 -0.20 2.92 1.01 0.34 -2.07 120.40 128.89 1nic s VAL 39 Ca 0.07 -0.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.74 1nic s VAL 39 Cb -0.16 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1nic s VAL 39 CO 0.11 0.18 0.14 -1.61 0.00 0.00 0.00 175.10 173.91 1nic s GLU 40 N 1.65 4.19 0.15 2.72 2.02 -0.50 -0.93 118.70 128.00 1nic s GLU 40 Ca 0.06 -0.21 0.07 0.00 0.02 0.00 0.00 54.97 54.91 1nic s GLU 40 Cb -0.16 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.60 1nic s GLU 40 CO 0.07 0.29 -0.15 -0.06 0.02 0.00 0.00 175.26 175.43 1nic s PHE 41 N 0.38 1.57 -0.06 1.61 0.08 -0.06 -1.72 117.98 119.78 1nic s PHE 41 Ca 0.08 -0.54 0.01 0.00 0.12 0.00 0.00 56.93 56.60 1nic s PHE 41 Cb -0.11 -0.79 0.02 0.00 -0.57 0.00 0.00 43.02 41.57 1nic s PHE 41 CO -0.02 0.23 -0.07 0.99 -0.10 0.00 0.00 175.22 176.26 1nic s THR 42 N -2.30 0.74 -0.03 0.64 2.01 -1.26 -0.84 115.64 114.61 1nic s THR 42 Ca 0.13 -0.22 0.04 0.00 0.31 0.00 0.00 61.69 61.95 1nic s THR 42 Cb -0.04 -0.74 -0.00 0.00 0.01 0.00 0.00 72.50 71.72 1nic s THR 42 CO 0.05 0.28 -0.14 -0.04 -0.69 0.00 0.00 174.62 174.08 1nic s MET 43 N 1.02 1.29 -0.16 4.92 -1.94 -0.26 -4.90 119.30 119.27 1nic s MET 43 Ca -0.09 -0.48 -0.02 0.00 -1.71 0.00 0.00 55.69 53.39 1nic s MET 43 Cb -0.14 -1.19 -0.02 0.00 2.01 0.00 0.00 34.83 35.49 1nic s MET 43 CO -0.00 0.23 -0.07 0.99 -0.01 0.00 0.00 175.02 176.16 1nic s THR 44 N -0.06 3.44 0.21 2.05 2.01 -1.26 -1.37 115.64 120.66 1nic s THR 44 Ca 0.00 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 1nic s THR 44 Cb -0.08 -2.50 -0.08 0.00 0.01 0.00 0.00 72.50 69.84 1nic s THR 44 CO 0.01 0.49 1.09 -0.63 -0.69 0.00 0.00 174.62 174.88 1nic s ILE 45 N 0.66 3.78 -0.20 1.82 1.01 0.12 -0.32 121.20 128.07 1nic s ILE 45 Ca -0.04 1.61 -0.04 0.00 0.00 0.00 0.00 60.65 62.18 1nic s ILE 45 Cb -0.15 -4.03 0.06 0.00 0.01 0.00 0.00 42.46 38.36 1nic s ILE 45 CO 0.02 0.31 0.06 -0.70 0.00 0.00 0.00 174.94 174.64 1nic s GLU 46 N -0.68 0.42 -0.14 2.79 2.12 -0.61 -4.50 118.70 118.09 1nic s GLU 46 Ca 0.48 -0.34 -0.24 0.00 0.36 0.00 0.00 54.97 55.23 1nic s GLU 46 Cb -0.30 -1.95 -0.02 0.00 0.26 0.00 0.00 34.13 32.12 1nic s GLU 46 CO 0.36 -0.69 0.75 -1.21 -0.54 0.00 0.00 175.26 173.93 1nic s GLU 47 N 1.96 4.32 0.12 4.30 2.02 -1.26 -1.71 118.70 128.45 1nic s GLU 47 Ca 0.01 0.89 -0.21 0.00 0.02 0.00 0.00 54.97 55.69 1nic s GLU 47 Cb -0.17 -3.54 0.05 0.00 0.10 0.00 0.00 34.13 30.58 1nic s GLU 47 CO -0.11 -0.19 0.51 -1.59 0.02 0.00 0.00 175.26 173.90 1nic s LYS 48 N 1.69 1.14 0.32 1.61 -2.85 0.01 -4.99 119.74 116.67 1nic s LYS 48 Ca 0.36 -0.48 -0.27 0.00 -1.00 0.00 0.00 55.97 54.58 1nic s LYS 48 Cb -0.17 0.52 -0.09 0.00 -2.06 0.00 0.00 37.83 36.03 1nic s LYS 48 CO 0.14 -0.46 0.99 0.15 0.10 0.00 0.00 175.35 176.27 1nic s LYS 49 N -3.40 4.55 -0.06 1.78 1.02 -1.26 0.30 119.74 122.67 1nic s LYS 49 Ca -0.00 1.47 -0.03 0.00 0.02 0.00 0.00 55.97 57.44 1nic s LYS 49 Cb 0.00 -2.88 0.04 0.00 -0.52 0.00 0.00 37.83 34.46 1nic s LYS 49 CO -0.09 0.22 0.13 -1.17 -0.92 0.00 0.00 175.35 173.51 1nic s LEU 50 N -1.94 0.84 -0.21 3.17 0.20 -0.12 -4.87 118.68 115.75 1nic s LEU 50 Ca 0.49 0.26 -0.13 0.00 0.69 0.00 0.00 54.13 55.44 1nic s LEU 50 Cb -0.23 0.31 -0.04 0.00 -0.43 0.00 0.00 46.19 45.80 1nic s LEU 50 CO 0.29 -0.14 0.29 0.68 -0.29 0.00 0.00 176.35 177.18 1nic s VAL 51 N 1.06 5.28 -1.44 1.68 -7.23 -1.26 -0.79 120.40 117.71 1nic s VAL 51 Ca -0.08 0.48 0.22 0.00 -1.81 0.00 0.00 61.98 60.78 1nic s VAL 51 Cb -0.11 -3.62 -0.12 0.00 0.56 0.00 0.00 36.38 33.09 1nic s VAL 51 CO -0.05 0.31 1.02 2.30 -0.31 0.00 0.00 175.10 178.37 1nic n ILE 52 N 4.16 0.00 -4.15 -0.62 -5.35 0.28 -4.89 119.36 108.80 1nic n ILE 52 Ca -0.12 -0.11 -0.16 0.00 -0.27 0.00 0.00 62.75 62.10 1nic n ILE 52 Cb 0.52 1.05 -0.05 0.00 -1.74 0.00 0.00 39.64 39.42 1nic n ILE 52 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1nic n ASP 53 N -0.87 -1.00 0.18 7.28 5.68 -1.26 -1.21 116.55 125.35 1nic n ASP 53 Ca 0.06 -2.93 0.03 0.00 -0.50 0.00 0.00 54.79 51.46 1nic n ASP 53 Cb 0.39 2.02 0.41 0.00 -1.14 0.00 0.00 41.12 42.80 1nic n ASP 53 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1nic h ARG 54 N 0.00 0.06 -0.01 0.11 3.08 -1.95 -2.69 114.38 112.98 1nic h ARG 54 Ca -0.24 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1nic h ARG 54 Cb 1.13 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1nic h ARG 54 CO 0.34 0.31 0.00 0.39 -1.07 0.00 0.00 179.97 179.94 1nic n GLU 55 N -4.22 1.21 -0.73 0.04 4.71 -1.26 -4.92 120.64 115.48 1nic n GLU 55 Ca -0.02 -0.31 0.00 0.00 -0.01 0.00 0.00 57.16 56.82 1nic n GLU 55 Cb 0.32 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.27 1nic n GLU 55 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1nic n GLY 56 N 1.04 0.56 3.71 0.62 0.00 -1.01 -5.02 105.19 105.10 1nic n GLY 56 Ca 0.22 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1nic n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nic s THR 57 N -2.00 2.31 -0.00 2.61 2.01 -1.26 -4.87 115.64 114.44 1nic s THR 57 Ca 0.00 0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.20 1nic s THR 57 Cb 0.00 -3.08 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 1nic s THR 57 CO 0.00 0.01 -0.22 -0.70 -0.69 0.00 0.00 174.62 173.01 1nic s GLU 58 N 1.66 2.13 0.23 4.92 2.12 -1.26 -0.55 118.70 127.95 1nic s GLU 58 Ca 0.76 -0.92 0.03 0.00 0.36 0.00 0.00 54.97 55.19 1nic s GLU 58 Cb -0.47 -2.13 -0.05 0.00 0.26 0.00 0.00 34.13 31.74 1nic s GLU 58 CO 0.33 0.56 0.02 0.96 -0.54 0.00 0.00 175.26 176.59 1nic s ILE 59 N -0.72 0.89 -0.65 -3.70 -4.36 0.03 -4.85 121.20 107.84 1nic s ILE 59 Ca 0.11 -2.01 -0.13 0.00 -0.26 0.00 0.00 60.65 58.36 1nic s ILE 59 Cb -0.10 -2.40 0.17 0.00 1.25 0.00 0.00 42.46 41.38 1nic s ILE 59 CO 0.01 -0.26 0.58 -1.00 0.24 0.00 0.00 174.94 174.51 1nic s HIS 60 N -3.52 3.49 0.37 1.37 3.76 -1.26 -0.94 115.29 118.55 1nic s HIS 60 Ca 0.30 -1.75 -0.23 0.00 -0.15 0.00 0.00 55.06 53.24 1nic s HIS 60 Cb 0.06 -3.73 -0.10 0.00 1.11 0.00 0.00 32.58 29.92 1nic s HIS 60 CO 0.09 -0.99 0.92 0.00 -0.85 0.00 0.00 174.74 173.91 1nic s ALA 61 N 0.88 3.15 -0.24 -1.40 0.00 0.15 -4.88 121.76 119.42 1nic s ALA 61 Ca 0.10 0.42 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 1nic s ALA 61 Cb -0.21 -3.13 0.03 0.00 0.00 0.00 0.00 23.12 19.81 1nic s ALA 61 CO -0.03 0.17 -0.09 -1.64 0.00 0.00 0.00 175.76 174.17 1nic s MET 62 N -2.63 2.79 0.22 0.00 -1.94 -0.55 -0.81 119.30 116.38 1nic s MET 62 Ca 0.56 -1.00 0.09 0.00 -1.71 0.00 0.00 55.69 53.63 1nic s MET 62 Cb -0.14 -2.90 -0.05 0.00 2.01 0.00 0.00 34.83 33.76 1nic s MET 62 CO 0.18 -0.39 -0.16 0.95 -0.01 0.00 0.00 175.02 175.59 1nic s THR 63 N 1.29 1.94 -0.33 2.05 -4.23 -0.69 -2.01 115.64 113.66 1nic s THR 63 Ca -0.00 -2.23 -0.10 0.00 -1.18 0.00 0.00 61.69 58.17 1nic s THR 63 Cb -0.16 -2.09 -0.00 0.00 1.34 0.00 0.00 72.50 71.59 1nic s THR 63 CO -0.06 -0.51 0.18 -0.36 -0.54 0.00 0.00 174.62 173.33 1nic s PHE 64 N -2.74 3.20 -1.22 3.99 0.08 -1.26 -1.57 117.98 118.46 1nic s PHE 64 Ca 0.24 -0.59 0.00 0.00 0.12 0.00 0.00 56.93 56.70 1nic s PHE 64 Cb -0.02 -2.39 0.00 0.00 -0.57 0.00 0.00 43.02 40.03 1nic s PHE 64 CO 0.09 -0.48 0.00 0.09 -0.10 0.00 0.00 175.22 174.82 1nic n ASN 65 N 5.01 -4.30 0.00 1.36 4.13 0.56 -3.23 115.26 118.79 1nic n ASN 65 Ca -0.13 0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.34 1nic n ASN 65 Cb 0.49 -3.06 0.00 0.00 -1.54 0.00 0.00 39.78 35.67 1nic n ASN 65 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1nic n GLY 66 N -1.35 0.78 3.36 7.41 0.00 -1.26 -5.00 105.19 109.14 1nic n GLY 66 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 1nic n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nic s SER 67 N -2.60 2.84 -0.23 1.61 1.04 -1.20 -5.02 113.70 110.14 1nic s SER 67 Ca 0.00 -0.91 0.01 0.00 0.48 0.00 0.00 55.95 55.53 1nic s SER 67 Cb 0.00 -0.18 0.06 0.00 0.10 0.00 0.00 66.02 66.00 1nic s SER 67 CO 0.00 -0.03 -0.06 -0.69 0.98 0.00 0.00 173.24 173.44 1nic s VAL 68 N -2.23 1.52 0.99 5.02 1.01 -1.26 -3.31 120.40 122.13 1nic s VAL 68 Ca 0.19 -1.18 -0.15 0.00 0.00 0.00 0.00 61.98 60.84 1nic s VAL 68 Cb -0.05 -1.77 0.19 0.00 0.00 0.00 0.00 36.38 34.75 1nic s VAL 68 CO 0.08 -0.08 1.19 -2.16 0.00 0.00 0.00 175.10 174.13 1nic s PRO 69 N 1.41 0.51 0.93 2.72 0.04 -1.26 -2.29 135.00 137.05 1nic s PRO 69 Ca -0.05 -0.01 -0.12 0.00 0.04 0.00 0.00 61.00 60.85 1nic s PRO 69 Cb -0.19 -1.79 0.15 0.00 0.04 0.00 0.00 34.50 32.71 1nic s PRO 69 CO -0.06 -2.57 1.09 0.20 0.04 0.00 0.00 177.00 175.70 1nic s GLY 70 N -4.29 1.60 0.66 0.56 0.00 0.19 -4.75 107.32 101.28 1nic s GLY 70 Ca 0.68 -0.20 -0.17 0.00 0.00 0.00 0.00 44.72 45.03 1nic s GLY 70 CO 0.54 0.33 1.23 2.56 0.00 0.00 0.00 173.10 177.76 1nic s PRO 71 N -4.97 2.55 -0.15 2.90 0.04 -1.26 -4.48 135.00 129.62 1nic s PRO 71 Ca 0.64 1.86 -0.26 0.00 0.04 0.00 0.00 61.00 63.27 1nic s PRO 71 Cb -0.18 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1nic s PRO 71 CO 0.57 -1.55 0.87 -1.17 0.04 0.00 0.00 177.00 175.77 1nic s LEU 72 N -4.57 4.19 -0.06 -3.56 2.96 -1.26 -4.25 118.68 112.13 1nic s LEU 72 Ca 0.77 1.26 -0.11 0.00 -0.22 0.00 0.00 54.13 55.84 1nic s LEU 72 Cb -0.32 -3.31 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1nic s LEU 72 CO 0.40 -0.41 0.28 -0.04 -1.32 0.00 0.00 176.35 175.26 1nic s MET 73 N 2.10 3.72 -0.12 1.98 -1.94 -0.99 -4.58 119.30 119.47 1nic s MET 73 Ca 0.41 0.15 0.00 0.00 -1.71 0.00 0.00 55.69 54.54 1nic s MET 73 Cb -0.17 -3.22 0.02 0.00 2.01 0.00 0.00 34.83 33.47 1nic s MET 73 CO 0.14 0.70 -0.11 0.08 -0.01 0.00 0.00 175.02 175.82 1nic s VAL 74 N -0.96 1.30 0.32 -6.03 1.01 -1.26 0.02 120.40 114.80 1nic s VAL 74 Ca 0.19 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1nic s VAL 74 Cb -0.14 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 1nic s VAL 74 CO 0.09 0.41 0.20 1.33 0.00 0.00 0.00 175.10 177.12 1nic n VAL 75 N 4.68 0.00 -4.39 2.92 0.24 -0.38 -4.99 118.33 116.40 1nic n VAL 75 Ca -0.16 -2.14 -0.27 0.00 -2.04 0.00 0.00 64.34 59.73 1nic n VAL 75 Cb 0.50 0.94 -0.11 0.00 -1.47 0.00 0.00 33.84 33.70 1nic n VAL 75 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1nic s HIS 76 N -3.07 2.39 -0.02 6.34 3.76 -1.26 -1.52 115.29 121.91 1nic s HIS 76 Ca 0.28 -0.32 -0.37 0.00 -0.15 0.00 0.00 55.06 54.50 1nic s HIS 76 Cb 0.01 -1.18 -0.16 0.00 1.11 0.00 0.00 32.58 32.37 1nic s HIS 76 CO 0.20 0.51 1.52 -1.91 -0.85 0.00 0.00 174.74 174.20 1nic n GLU 77 N 0.20 1.35 -1.00 1.40 2.13 -0.17 -1.73 120.64 122.83 1nic n GLU 77 Ca -0.12 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1nic n GLU 77 Cb 0.56 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 30.09 1nic n GLU 77 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1nic n ASN 78 N 3.72 -2.36 -4.88 4.31 5.03 0.17 -4.79 115.26 116.45 1nic n ASN 78 Ca 0.21 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.36 1nic n ASN 78 Cb 0.19 -0.43 0.05 0.00 -1.02 0.00 0.00 39.78 38.58 1nic n ASN 78 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1nic s ASP 79 N -2.22 5.29 -0.12 6.41 1.01 -0.70 -4.70 116.67 121.64 1nic s ASP 79 Ca 0.00 1.10 -0.02 0.00 0.71 0.00 0.00 52.55 54.34 1nic s ASP 79 Cb 0.00 -1.86 -0.03 0.00 1.01 0.00 0.00 42.92 42.04 1nic s ASP 79 CO 0.00 -1.44 -0.04 -0.31 0.21 0.00 0.00 175.17 173.59 1nic s TYR 80 N -3.37 3.02 -0.26 4.23 1.51 -0.29 -1.77 117.35 120.42 1nic s TYR 80 Ca 0.59 -0.14 -0.12 0.00 -1.01 0.00 0.00 57.07 56.39 1nic s TYR 80 Cb -0.11 -1.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.82 1nic s TYR 80 CO 0.52 0.13 0.22 0.08 -1.11 0.00 0.00 175.55 175.39 1nic s VAL 81 N -0.12 5.30 -0.24 0.71 1.01 0.13 -0.50 120.40 126.68 1nic s VAL 81 Ca 0.02 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.28 1nic s VAL 81 Cb -0.13 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.73 1nic s VAL 81 CO 0.02 0.27 -0.11 -0.70 0.00 0.00 0.00 175.10 174.59 1nic s GLU 82 N 1.52 2.60 -0.15 2.72 2.12 -0.11 -1.55 118.70 125.85 1nic s GLU 82 Ca 0.09 -1.11 -0.01 0.00 0.36 0.00 0.00 54.97 54.30 1nic s GLU 82 Cb -0.15 -2.86 -0.02 0.00 0.26 0.00 0.00 34.13 31.36 1nic s GLU 82 CO 0.08 -0.44 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.09 1nic s LEU 83 N 1.22 2.84 -0.31 2.70 2.96 -0.19 -0.88 118.68 127.02 1nic s LEU 83 Ca -0.03 -0.31 -0.12 0.00 -0.22 0.00 0.00 54.13 53.46 1nic s LEU 83 Cb -0.17 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1nic s LEU 83 CO -0.06 0.13 0.23 -0.60 -1.32 0.00 0.00 176.35 174.73 1nic s ARG 84 N 0.55 3.76 -0.22 1.98 3.52 -0.02 -1.70 118.95 126.82 1nic s ARG 84 Ca -0.07 -0.44 -0.04 0.00 -0.13 0.00 0.00 55.73 55.06 1nic s ARG 84 Cb -0.15 -3.72 -0.01 0.00 -1.56 0.00 0.00 34.95 29.50 1nic s ARG 84 CO 0.03 -0.30 -0.04 -1.17 -0.81 0.00 0.00 175.30 173.01 1nic s LEU 85 N 1.77 2.95 -0.14 -0.88 2.96 -0.04 -1.10 118.68 124.20 1nic s LEU 85 Ca 0.07 -0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 53.62 1nic s LEU 85 Cb -0.17 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 1nic s LEU 85 CO 0.11 -0.00 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.37 1nic s ILE 86 N 1.38 2.91 -0.50 6.68 1.01 -0.47 -1.57 121.20 130.64 1nic s ILE 86 Ca 0.05 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.02 1nic s ILE 86 Cb -0.14 -2.23 0.13 0.00 0.01 0.00 0.00 42.46 40.23 1nic s ILE 86 CO -0.02 0.52 0.25 0.21 0.00 0.00 0.00 174.94 175.90 1nic s ASN 87 N 0.55 4.68 0.66 3.58 2.47 -0.49 -0.71 114.94 125.69 1nic s ASN 87 Ca -0.09 -2.73 -0.17 0.00 0.42 0.00 0.00 52.86 50.29 1nic s ASN 87 Cb -0.16 -1.70 -0.01 0.00 -1.45 0.00 0.00 41.25 37.94 1nic s ASN 87 CO 0.04 -0.31 1.19 -0.81 -3.72 0.00 0.00 177.10 173.49 1nic n PRO 88 N 3.53 0.92 0.03 0.43 -0.04 -1.26 0.12 135.00 138.74 1nic n PRO 88 Ca 0.05 0.37 0.03 0.00 -0.04 0.00 0.00 63.50 63.91 1nic n PRO 88 Cb 0.36 -2.43 0.13 0.00 -0.04 0.00 0.00 33.50 31.53 1nic n PRO 88 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1nic n ASP 89 N -1.81 0.12 0.09 3.54 5.75 -1.26 -1.28 116.55 121.69 1nic n ASP 89 Ca 0.15 0.55 0.13 0.00 -0.01 0.00 0.00 54.79 55.61 1nic n ASP 89 Cb 0.48 -0.57 0.45 0.00 -1.03 0.00 0.00 41.12 40.45 1nic n ASP 89 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1nic n THR 90 N -1.66 0.53 -2.28 2.12 -2.24 -1.26 -4.80 114.28 104.69 1nic n THR 90 Ca -0.00 -0.17 -0.27 0.00 -2.27 0.00 0.00 64.05 61.34 1nic n THR 90 Cb 0.02 -0.64 0.04 0.00 -2.10 0.00 0.00 70.33 67.65 1nic n THR 90 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1nic s ASN 91 N -4.21 5.35 -0.00 3.42 0.01 -0.40 -4.98 114.94 114.12 1nic s ASN 91 Ca 0.10 0.69 0.06 0.00 -0.71 0.00 0.00 52.86 53.00 1nic s ASN 91 Cb 0.13 -1.56 -0.07 0.00 0.41 0.00 0.00 41.25 40.16 1nic s ASN 91 CO 0.56 -1.25 0.22 0.35 -1.51 0.00 0.00 177.10 175.46 1nic n THR 92 N -2.73 0.00 -4.42 1.60 -2.24 -1.26 -4.76 114.28 100.48 1nic n THR 92 Ca 0.06 -0.30 -0.23 0.00 -2.27 0.00 0.00 64.05 61.30 1nic n THR 92 Cb 0.58 0.83 -0.11 0.00 -2.10 0.00 0.00 70.33 69.54 1nic n THR 92 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1nic s LEU 93 N -2.58 2.53 0.24 3.22 1.43 -1.26 -4.91 118.68 117.35 1nic s LEU 93 Ca 0.01 -0.97 -0.30 0.00 -1.03 0.00 0.00 54.13 51.85 1nic s LEU 93 Cb 0.04 -1.00 -0.09 0.00 0.03 0.00 0.00 46.19 45.17 1nic s LEU 93 CO 0.24 0.01 1.04 -0.22 0.23 0.00 0.00 176.35 177.65 1nic s LEU 94 N -3.16 4.57 0.19 1.79 2.96 -1.26 -4.21 118.68 119.56 1nic s LEU 94 Ca 0.24 2.10 -0.00 0.00 -0.22 0.00 0.00 54.13 56.25 1nic s LEU 94 Cb -0.05 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1nic s LEU 94 CO 0.11 -0.04 0.09 -1.00 -1.32 0.00 0.00 176.35 174.19 1nic s HIS 95 N -0.96 1.14 0.01 5.38 3.76 -0.90 -4.92 115.29 118.79 1nic s HIS 95 Ca 0.44 -1.27 -0.00 0.00 -0.15 0.00 0.00 55.06 54.08 1nic s HIS 95 Cb -0.29 -0.60 0.00 0.00 1.11 0.00 0.00 32.58 32.80 1nic s HIS 95 CO 0.36 -0.51 0.01 0.27 -0.85 0.00 0.00 174.74 174.02 1nic n ASN 96 N -0.25 -0.03 -3.74 1.40 6.94 -1.26 -1.51 115.26 116.82 1nic n ASN 96 Ca -0.01 -1.02 -0.12 0.00 -0.02 0.00 0.00 54.58 53.40 1nic n ASN 96 Cb 0.65 0.05 -0.12 0.00 -2.36 0.00 0.00 39.78 38.00 1nic n ASN 96 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1nic s ILE 97 N -2.84 -0.02 -0.17 1.53 2.07 -1.26 -4.19 121.20 116.32 1nic s ILE 97 Ca 0.00 0.09 0.01 0.00 -1.41 0.00 0.00 60.65 59.34 1nic s ILE 97 Cb -0.00 -0.42 0.02 0.00 0.13 0.00 0.00 42.46 42.19 1nic s ILE 97 CO 0.00 0.04 -0.19 -0.62 -1.91 0.00 0.00 174.94 172.26 1nic s ASP 98 N 0.90 3.03 -0.28 4.50 2.15 0.55 -1.85 116.67 125.66 1nic s ASP 98 Ca -0.06 -0.61 -0.10 0.00 0.43 0.00 0.00 52.55 52.21 1nic s ASP 98 Cb -0.07 -1.41 -0.04 0.00 -0.30 0.00 0.00 42.92 41.10 1nic s ASP 98 CO -0.06 0.00 0.17 -0.36 -0.17 0.00 0.00 175.17 174.75 1nic s PHE 99 N 1.26 3.19 -0.03 -5.34 0.08 -0.07 -0.83 117.98 116.24 1nic s PHE 99 Ca 0.03 -0.11 0.30 0.00 0.12 0.00 0.00 56.93 57.28 1nic s PHE 99 Cb -0.13 -2.36 1.43 0.00 -0.57 0.00 0.00 43.02 41.39 1nic s PHE 99 CO -0.11 -0.26 1.91 0.45 -0.10 0.00 0.00 175.22 177.11 1nic h HIS 100 N 8.35 0.00 0.00 0.36 3.86 -1.49 -2.12 115.15 124.12 1nic h HIS 100 Ca -0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 1nic h HIS 100 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1nic h HIS 100 CO 0.72 0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.51 1nic h ALA 101 N 2.08 1.00 -2.10 2.45 0.00 -1.92 -3.47 119.26 117.30 1nic h ALA 101 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 1nic h ALA 101 Cb 0.24 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.05 1nic h ALA 101 CO 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 179.25 179.07 1nic s ALA 102 N -3.25 3.81 -0.19 0.00 0.00 -0.80 -4.63 121.76 116.71 1nic s ALA 102 Ca 0.07 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 1nic s ALA 102 Cb 0.08 -2.04 0.01 0.00 0.00 0.00 0.00 23.12 21.18 1nic s ALA 102 CO 0.60 -0.16 -0.16 0.99 0.00 0.00 0.00 175.76 177.02 1nic s THR 103 N -2.38 2.35 0.00 0.00 2.01 -1.26 -4.69 115.64 111.67 1nic s THR 103 Ca 0.44 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.60 1nic s THR 103 Cb -0.10 -2.01 0.00 0.00 0.01 0.00 0.00 72.50 70.40 1nic s THR 103 CO 0.36 0.51 0.00 0.61 -0.69 0.00 0.00 174.62 175.41 1nic n GLY 104 N 4.66 2.27 4.33 4.40 0.00 -1.26 -4.92 105.19 114.67 1nic n GLY 104 Ca -0.20 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.52 1nic n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nic n ALA 105 N 1.31 -1.65 -3.65 4.61 0.00 -1.26 -0.69 120.51 119.19 1nic n ALA 105 Ca 0.00 -0.27 -0.25 0.00 0.00 0.00 0.00 53.44 52.91 1nic n ALA 105 Cb 0.00 -1.82 0.07 0.00 0.00 0.00 0.00 19.45 17.70 1nic n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nic n LEU 106 N -4.37 -3.20 0.00 0.00 4.32 -1.26 -1.28 117.00 111.21 1nic n LEU 106 Ca -0.13 -0.58 0.00 0.00 -0.02 0.00 0.00 56.01 55.28 1nic n LEU 106 Cb 0.59 -2.93 0.00 0.00 -1.62 0.00 0.00 43.42 39.45 1nic n LEU 106 CO 0.88 0.61 0.00 0.61 -1.22 0.00 0.00 177.39 178.26 1nic n GLY 107 N -1.94 0.42 0.00 -0.72 0.00 0.14 -2.41 105.19 100.68 1nic n GLY 107 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1nic n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nic n GLY 108 N -1.86 0.69 0.37 -0.02 0.00 -0.40 -0.89 105.19 103.07 1nic n GLY 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nic n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nic h GLY 109 N 0.00 1.29 2.00 -0.02 0.00 -0.95 -1.63 103.07 103.77 1nic h GLY 109 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1nic h GLY 109 CO 0.00 0.42 0.00 0.00 0.00 0.00 0.00 176.54 176.96 1nic h ALA 110 N 1.46 1.00 -0.01 3.60 0.00 -1.72 -3.19 119.26 120.40 1nic h ALA 110 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1nic h ALA 110 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1nic h ALA 110 CO -0.09 0.00 -0.37 1.28 0.00 0.00 0.00 179.25 180.06 1nic n LEU 111 N -2.44 1.66 -0.21 0.00 4.32 -0.66 -4.66 117.00 115.03 1nic n LEU 111 Ca 0.03 -0.76 0.09 0.00 -0.02 0.00 0.00 56.01 55.35 1nic n LEU 111 Cb 0.30 0.00 0.16 0.00 -1.62 0.00 0.00 43.42 42.26 1nic n LEU 111 CO 0.24 0.32 0.51 0.35 -1.22 0.00 0.00 177.39 177.59 1nic n THR 112 N -0.15 1.94 -2.12 -5.08 -2.24 -0.95 -4.96 114.28 100.74 1nic n THR 112 Ca 0.07 -2.48 -0.43 0.00 -2.27 0.00 0.00 64.05 58.94 1nic n THR 112 Cb 0.36 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.33 1nic n THR 112 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1nic s GLN 113 N -2.93 3.42 -0.11 -0.78 -0.21 -1.26 -4.29 119.66 113.51 1nic s GLN 113 Ca 0.33 1.27 0.03 0.00 0.02 0.00 0.00 55.36 57.01 1nic s GLN 113 Cb 0.30 -4.14 0.01 0.00 1.00 0.00 0.00 33.01 30.18 1nic s GLN 113 CO 0.01 -1.75 -0.19 0.14 -2.12 0.00 0.00 175.29 171.38 1nic s VAL 114 N 6.37 1.74 0.61 1.09 -7.23 -0.57 -5.00 120.40 117.41 1nic s VAL 114 Ca 0.74 -0.80 -0.07 0.00 -1.81 0.00 0.00 61.98 60.04 1nic s VAL 114 Cb -0.20 -1.54 0.01 0.00 0.56 0.00 0.00 36.38 35.21 1nic s VAL 114 CO 0.33 0.49 0.93 0.20 -0.31 0.00 0.00 175.10 176.74 1nic s ASN 115 N 0.73 5.56 0.22 4.85 0.01 -1.26 -2.12 114.94 122.93 1nic s ASN 115 Ca -0.11 0.76 -0.32 0.00 -0.71 0.00 0.00 52.86 52.48 1nic s ASN 115 Cb -0.16 -1.72 -0.14 0.00 0.41 0.00 0.00 41.25 39.64 1nic s ASN 115 CO 0.02 -1.11 1.44 -2.65 -1.51 0.00 0.00 177.10 173.29 1nic n PRO 116 N -2.64 2.03 -0.24 -0.60 -0.02 -1.26 -1.58 135.00 130.69 1nic n PRO 116 Ca 0.05 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1nic n PRO 116 Cb 0.58 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1nic n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nic n GLY 117 N 2.42 0.65 3.64 -1.23 0.00 0.33 -4.66 105.19 106.35 1nic n GLY 117 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1nic n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nic s GLU 118 N -0.76 2.07 0.21 1.61 2.02 -0.61 -4.87 118.70 118.36 1nic s GLU 118 Ca 0.00 -1.83 -0.08 0.00 0.02 0.00 0.00 54.97 53.08 1nic s GLU 118 Cb 0.00 -1.88 -0.02 0.00 0.10 0.00 0.00 34.13 32.33 1nic s GLU 118 CO 0.00 0.07 0.33 -1.83 0.02 0.00 0.00 175.26 173.84 1nic s GLU 119 N -3.74 1.35 0.16 1.61 -1.05 -1.26 -1.39 118.70 114.38 1nic s GLU 119 Ca 0.36 -1.34 -0.22 0.00 -0.15 0.00 0.00 54.97 53.62 1nic s GLU 119 Cb 0.02 0.39 0.06 0.00 -0.44 0.00 0.00 34.13 34.16 1nic s GLU 119 CO 0.19 -0.51 0.58 -0.08 0.95 0.00 0.00 175.26 176.39 1nic s THR 120 N -4.05 0.01 -0.09 1.83 -1.32 -0.61 -5.00 115.64 106.41 1nic s THR 120 Ca 0.26 -0.12 -0.01 0.00 -1.21 0.00 0.00 61.69 60.61 1nic s THR 120 Cb 0.03 -1.07 0.03 0.00 -1.51 0.00 0.00 72.50 69.97 1nic s THR 120 CO 0.08 -0.04 -0.05 -0.89 -2.21 0.00 0.00 174.62 171.51 1nic s THR 121 N -3.77 0.77 -0.01 5.08 2.01 -1.26 -0.86 115.64 117.60 1nic s THR 121 Ca 0.02 -0.13 0.04 0.00 0.31 0.00 0.00 61.69 61.92 1nic s THR 121 Cb -0.01 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 1nic s THR 121 CO -0.12 0.32 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.81 1nic s LEU 122 N 1.77 2.96 -0.02 4.42 2.96 -0.69 -4.97 118.68 125.11 1nic s LEU 122 Ca 0.04 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 1nic s LEU 122 Cb -0.13 -1.68 -0.00 0.00 0.50 0.00 0.00 46.19 44.88 1nic s LEU 122 CO -0.07 0.31 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.55 1nic s ARG 123 N -1.16 1.13 0.01 1.98 3.52 -1.26 -1.02 118.95 122.16 1nic s ARG 123 Ca 0.15 -0.42 -0.09 0.00 -0.13 0.00 0.00 55.73 55.23 1nic s ARG 123 Cb -0.11 -1.05 0.01 0.00 -1.56 0.00 0.00 34.95 32.23 1nic s ARG 123 CO 0.04 0.21 0.19 -0.59 -0.81 0.00 0.00 175.30 174.34 1nic s PHE 124 N -0.06 0.00 -0.11 5.12 -0.12 -0.60 -4.98 117.98 117.24 1nic s PHE 124 Ca 0.00 -0.09 -0.21 0.00 -0.05 0.00 0.00 56.93 56.58 1nic s PHE 124 Cb -0.07 -0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 1nic s PHE 124 CO 0.00 -0.35 0.62 0.21 -0.05 0.00 0.00 175.22 175.66 1nic s LYS 125 N -1.69 4.36 -1.20 1.99 2.20 -1.26 -0.70 119.74 123.44 1nic s LYS 125 Ca -0.12 0.69 -0.16 0.00 -0.36 0.00 0.00 55.97 56.02 1nic s LYS 125 Cb -0.05 -3.47 0.12 0.00 -1.51 0.00 0.00 37.83 32.92 1nic s LYS 125 CO 0.01 0.02 1.51 0.00 -0.36 0.00 0.00 175.35 176.53 1nic s ALA 126 N 1.01 3.60 -0.36 3.13 0.00 -0.73 -4.78 121.76 123.64 1nic s ALA 126 Ca 0.32 -3.06 0.25 0.00 0.00 0.00 0.00 51.96 49.47 1nic s ALA 126 Cb -0.16 -4.33 0.56 0.00 0.00 0.00 0.00 23.12 19.19 1nic s ALA 126 CO 0.14 -3.04 1.69 1.79 0.00 0.00 0.00 175.76 176.34 1nic h THR 127 N 5.26 0.00 -3.35 0.00 1.35 -1.87 0.48 112.91 114.78 1nic h THR 127 Ca 0.34 -0.88 -0.64 0.00 -0.55 0.00 0.00 66.41 64.68 1nic h THR 127 Cb 0.90 1.87 -0.33 0.00 -1.73 0.00 0.00 68.15 68.86 1nic h THR 127 CO 1.32 0.00 -0.86 -0.54 -0.25 0.00 0.00 175.52 175.18 1nic s LYS 128 N -3.29 2.72 0.32 4.72 1.02 -1.26 -4.79 119.74 119.17 1nic s LYS 128 Ca 0.06 -0.76 -0.26 0.00 0.02 0.00 0.00 55.97 55.02 1nic s LYS 128 Cb 0.06 -2.09 -0.10 0.00 -0.52 0.00 0.00 37.83 35.18 1nic s LYS 128 CO 0.64 0.13 0.95 -1.25 -0.92 0.00 0.00 175.35 174.89 1nic s PRO 129 N 0.46 4.61 0.00 -1.68 0.04 -1.26 -4.80 135.00 132.36 1nic s PRO 129 Ca -0.17 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1nic s PRO 129 Cb -0.17 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.52 1nic s PRO 129 CO 0.07 0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.82 1nic n GLY 130 N 0.65 -0.73 3.71 0.56 0.00 0.70 -3.14 105.19 106.95 1nic n GLY 130 Ca 0.02 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 1nic n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nic s VAL 131 N -1.56 5.17 0.17 1.61 -7.23 -0.01 0.19 120.40 118.74 1nic s VAL 131 Ca 0.00 0.10 0.07 0.00 -1.81 0.00 0.00 61.98 60.34 1nic s VAL 131 Cb 0.00 -3.33 -0.04 0.00 0.56 0.00 0.00 36.38 33.56 1nic s VAL 131 CO 0.00 0.47 -0.15 -0.36 -0.31 0.00 0.00 175.10 174.76 1nic s PHE 132 N 0.16 1.59 0.22 2.82 0.40 0.45 -4.38 117.98 119.23 1nic s PHE 132 Ca 0.07 -0.57 -0.10 0.00 -0.60 0.00 0.00 56.93 55.73 1nic s PHE 132 Cb -0.12 -0.78 -0.07 0.00 0.51 0.00 0.00 43.02 42.56 1nic s PHE 132 CO -0.00 0.26 0.55 0.08 0.70 0.00 0.00 175.22 176.80 1nic s VAL 133 N -2.61 4.93 0.01 -0.44 1.01 -1.26 -0.76 120.40 121.28 1nic s VAL 133 Ca 0.17 0.50 0.04 0.00 0.00 0.00 0.00 61.98 62.68 1nic s VAL 133 Cb -0.02 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1nic s VAL 133 CO 0.05 -0.05 -0.12 -0.72 0.00 0.00 0.00 175.10 174.26 1nic s TYR 134 N -1.79 1.09 0.18 5.22 -0.85 -0.96 -1.28 117.35 118.95 1nic s TYR 134 Ca 0.47 -0.27 -0.21 0.00 -0.52 0.00 0.00 57.07 56.53 1nic s TYR 134 Cb -0.11 -0.67 0.05 0.00 0.38 0.00 0.00 41.96 41.61 1nic s TYR 134 CO 0.21 0.00 0.59 -3.38 -1.52 0.00 0.00 175.55 171.45 1nic s HIS 135 N -0.56 -0.40 0.35 -3.49 -3.43 -0.01 -1.09 115.29 106.67 1nic s HIS 135 Ca 0.03 0.12 -0.27 0.00 -0.80 0.00 0.00 55.06 54.14 1nic s HIS 135 Cb -0.06 0.53 -0.09 0.00 -1.43 0.00 0.00 32.58 31.53 1nic s HIS 135 CO 0.00 -0.91 1.11 0.00 -2.00 0.00 0.00 174.74 172.95 1nic n ALA 137 N 0.47 -0.01 -2.33 0.00 0.00 -1.26 -4.51 120.51 112.87 1nic n ALA 137 Ca 0.02 -2.13 -0.41 0.00 0.00 0.00 0.00 53.44 50.92 1nic n ALA 137 Cb 0.47 -1.15 -0.04 0.00 0.00 0.00 0.00 19.45 18.73 1nic n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1nic s PRO 138 N 0.01 4.62 -0.07 0.00 0.02 -1.26 -4.89 135.00 133.42 1nic s PRO 138 Ca 0.33 1.54 -0.39 0.00 0.02 0.00 0.00 61.00 62.51 1nic s PRO 138 Cb 0.21 -3.37 -0.17 0.00 0.02 0.00 0.00 34.50 31.19 1nic s PRO 138 CO -0.20 0.08 1.45 -1.91 -0.33 0.00 0.00 177.00 176.08 1nic n GLU 139 N 3.05 0.95 0.00 5.54 4.07 -1.26 -1.50 120.64 131.49 1nic n GLU 139 Ca 0.04 0.35 0.00 0.00 -0.06 0.00 0.00 57.16 57.48 1nic n GLU 139 Cb 0.49 -1.98 0.00 0.00 -0.06 0.00 0.00 31.44 29.89 1nic n GLU 139 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nic n GLY 140 N 2.99 3.01 1.51 8.31 0.00 -1.26 -4.78 105.19 114.97 1nic n GLY 140 Ca 0.22 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.27 1nic n GLY 140 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1nic n MET 141 N -2.00 0.46 0.32 1.61 0.00 -0.56 -4.93 117.12 112.02 1nic n MET 141 Ca 0.00 -2.37 -0.18 0.00 0.00 0.00 0.00 57.70 55.14 1nic n MET 141 Cb 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 33.22 32.70 1nic n MET 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1nic h VAL 142 N 5.92 0.02 -0.36 3.17 2.07 -1.81 -2.23 116.25 123.04 1nic h VAL 142 Ca -0.18 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1nic h VAL 142 Cb 1.70 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1nic h VAL 142 CO 0.11 0.00 0.24 1.55 0.02 0.00 0.00 177.57 179.48 1nic h PRO 143 N -1.04 0.43 -0.56 1.57 0.13 -1.92 -1.99 132.00 128.62 1nic h PRO 143 Ca -0.07 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.99 1nic h PRO 143 Cb 0.89 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 1nic h PRO 143 CO -0.03 0.28 0.16 2.35 -0.23 0.00 0.00 178.00 180.53 1nic h TRP 144 N 0.44 0.92 -0.15 1.56 7.01 -1.89 -0.30 115.95 123.54 1nic h TRP 144 Ca 0.14 -0.10 -0.19 0.00 2.11 0.00 0.00 58.89 60.85 1nic h TRP 144 Cb 0.01 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 26.81 1nic h TRP 144 CO -0.00 0.78 -0.66 0.45 -2.79 0.00 0.00 178.44 176.22 1nic h HIS 145 N 0.79 0.78 -0.10 2.65 3.86 -0.97 -2.88 115.15 119.28 1nic h HIS 145 Ca 0.18 -0.31 -0.02 0.00 -1.16 0.00 0.00 60.37 59.06 1nic h HIS 145 Cb 0.31 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 1nic h HIS 145 CO 0.02 1.09 0.00 0.28 0.86 0.00 0.00 177.93 180.18 1nic h VAL 146 N 0.43 1.25 0.00 2.45 2.07 -1.17 -2.59 116.25 118.69 1nic h VAL 146 Ca -0.02 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1nic h VAL 146 Cb 1.24 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1nic h VAL 146 CO 0.13 0.22 0.00 0.35 0.02 0.00 0.00 177.57 178.29 1nic n THR 147 N -4.82 0.00 -0.36 2.57 -2.24 -0.14 -1.90 114.28 107.38 1nic n THR 147 Ca -0.06 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.83 1nic n THR 147 Cb 0.19 -0.45 0.33 0.00 -2.10 0.00 0.00 70.33 68.30 1nic n THR 147 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1nic n SER 148 N -0.88 4.02 0.00 3.42 7.64 -1.09 -4.67 113.62 122.07 1nic n SER 148 Ca 0.15 -2.05 0.00 0.00 1.01 0.00 0.00 58.87 57.98 1nic n SER 148 Cb 0.07 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1nic n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nic n GLY 149 N 1.61 0.86 2.87 0.23 0.00 -0.80 -1.48 105.19 108.48 1nic n GLY 149 Ca 0.25 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1nic n GLY 149 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1nic n MET 150 N -2.28 3.61 -3.45 1.61 0.00 -0.85 -4.59 117.12 111.17 1nic n MET 150 Ca 0.00 -3.52 -0.13 0.00 0.00 0.00 0.00 57.70 54.04 1nic n MET 150 Cb 0.00 -2.93 -0.03 0.00 0.00 0.00 0.00 33.22 30.26 1nic n MET 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1nic s ASN 151 N 0.91 -0.58 0.00 6.12 2.20 -1.26 -1.90 114.94 120.42 1nic s ASN 151 Ca 0.40 0.19 0.00 0.00 -0.94 0.00 0.00 52.86 52.51 1nic s ASN 151 Cb 0.09 0.57 0.00 0.00 -2.00 0.00 0.00 41.25 39.92 1nic s ASN 151 CO 0.00 -0.85 0.00 0.61 -2.94 0.00 0.00 177.10 173.92 1nic n GLY 152 N -0.03 3.87 3.34 0.45 0.00 -0.25 -0.64 105.19 111.94 1nic n GLY 152 Ca -0.17 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 1nic n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nic s ALA 153 N -1.24 -1.09 -0.04 4.61 0.00 -1.26 -2.28 121.76 120.48 1nic s ALA 153 Ca 0.00 0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.21 1nic s ALA 153 Cb 0.00 0.55 0.01 0.00 0.00 0.00 0.00 23.12 23.67 1nic s ALA 153 CO 0.00 -0.57 -0.10 -1.50 0.00 0.00 0.00 175.76 173.59 1nic s ILE 154 N -3.15 0.90 -0.21 0.00 2.07 0.06 -2.35 121.20 118.52 1nic s ILE 154 Ca -0.01 -0.41 -0.06 0.00 -1.41 0.00 0.00 60.65 58.76 1nic s ILE 154 Cb 0.00 -0.81 -0.03 0.00 0.13 0.00 0.00 42.46 41.76 1nic s ILE 154 CO -0.07 0.28 0.02 -0.32 -1.91 0.00 0.00 174.94 172.94 1nic s MET 155 N 0.30 3.65 -0.51 3.50 -2.45 0.10 -0.42 119.30 123.47 1nic s MET 155 Ca -0.06 -0.50 -0.07 0.00 -1.25 0.00 0.00 55.69 53.82 1nic s MET 155 Cb -0.11 -3.16 0.13 0.00 1.25 0.00 0.00 34.83 32.95 1nic s MET 155 CO 0.01 -0.04 0.36 0.08 1.05 0.00 0.00 175.02 176.48 1nic s VAL 156 N 1.16 3.98 0.30 10.11 1.01 0.13 -1.25 120.40 135.84 1nic s VAL 156 Ca 0.03 -2.12 -0.28 0.00 0.00 0.00 0.00 61.98 59.62 1nic s VAL 156 Cb -0.14 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 1nic s VAL 156 CO 0.02 -0.79 0.98 -0.76 0.00 0.00 0.00 175.10 174.55 1nic s LEU 157 N 0.96 4.45 0.65 3.92 1.43 -0.57 -0.21 118.68 129.30 1nic s LEU 157 Ca 0.09 1.97 -0.18 0.00 -1.03 0.00 0.00 54.13 54.98 1nic s LEU 157 Cb -0.23 -3.84 -0.01 0.00 0.03 0.00 0.00 46.19 42.14 1nic s LEU 157 CO -0.03 -0.05 1.26 -2.84 0.23 0.00 0.00 176.35 174.92 1nic s PRO 158 N -1.72 2.59 0.59 1.29 0.02 -1.26 -1.00 135.00 135.52 1nic s PRO 158 Ca 0.47 1.95 0.40 0.00 0.02 0.00 0.00 61.00 63.84 1nic s PRO 158 Cb -0.24 -1.87 2.11 0.00 0.02 0.00 0.00 34.50 34.53 1nic s PRO 158 CO 0.30 -1.53 2.21 -0.09 -0.33 0.00 0.00 177.00 177.56 1nic h ARG 159 N 0.50 0.00 -0.38 5.54 2.43 -1.89 -1.74 114.38 118.84 1nic h ARG 159 Ca -0.50 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.55 1nic h ARG 159 Cb 1.32 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.80 1nic h ARG 159 CO 0.53 0.00 0.03 -0.40 -1.51 0.00 0.00 179.97 178.62 1nic n ASP 160 N -2.93 3.47 -0.41 -3.80 5.75 -1.26 -0.89 116.55 116.49 1nic n ASP 160 Ca -0.02 -3.34 0.03 0.00 -0.01 0.00 0.00 54.79 51.45 1nic n ASP 160 Cb 0.09 -0.61 -0.01 0.00 -1.03 0.00 0.00 41.12 39.56 1nic n ASP 160 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nic n GLY 161 N -0.73 -1.92 3.83 6.12 0.00 -0.65 -4.83 105.19 107.01 1nic n GLY 161 Ca 0.30 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 1nic n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nic s LEU 162 N 0.00 3.90 0.08 0.99 1.43 -1.26 -4.50 118.68 119.33 1nic s LEU 162 Ca 0.00 1.60 0.02 0.00 -1.03 0.00 0.00 54.13 54.72 1nic s LEU 162 Cb 0.00 -4.46 -0.03 0.00 0.03 0.00 0.00 46.19 41.73 1nic s LEU 162 CO 0.00 -0.38 -0.08 -0.54 0.23 0.00 0.00 176.35 175.58 1nic s LYS 163 N -3.32 0.73 0.19 1.70 -0.14 -1.26 -0.52 119.74 117.12 1nic s LYS 163 Ca 0.60 -1.10 -0.02 0.00 -1.36 0.00 0.00 55.97 54.09 1nic s LYS 163 Cb -0.09 -0.30 0.04 0.00 -1.68 0.00 0.00 37.83 35.80 1nic s LYS 163 CO 0.17 0.03 0.26 -0.40 -0.76 0.00 0.00 175.35 174.65 1nic n ASP 164 N 0.60 0.21 0.31 2.83 5.68 0.88 -4.79 116.55 122.26 1nic n ASP 164 Ca -0.17 -1.21 0.19 0.00 -0.50 0.00 0.00 54.79 53.10 1nic n ASP 164 Cb 0.58 -0.19 0.98 0.00 -1.14 0.00 0.00 41.12 41.36 1nic n ASP 164 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1nic h GLU 165 N 0.00 0.00 -0.43 0.11 9.09 -1.89 -1.34 114.58 120.12 1nic h GLU 165 Ca -0.09 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.32 1nic h GLU 165 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 1nic h GLU 165 CO 0.08 0.02 0.00 1.63 0.05 0.00 0.00 179.01 180.79 1nic n LYS 166 N -3.27 2.43 -0.95 1.06 5.02 -1.26 -4.95 118.16 116.24 1nic n LYS 166 Ca -0.02 -2.18 0.00 0.00 -2.02 0.00 0.00 58.31 54.09 1nic n LYS 166 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1nic n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nic n GLY 167 N 1.48 0.46 3.86 0.72 0.00 -0.51 -5.05 105.19 106.15 1nic n GLY 167 Ca 0.20 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 1nic n GLY 167 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nic s GLN 168 N -1.12 3.87 0.37 1.61 2.00 -1.26 -4.79 119.66 120.34 1nic s GLN 168 Ca 0.00 0.33 -0.28 0.00 -2.00 0.00 0.00 55.36 53.41 1nic s GLN 168 Cb 0.00 -2.93 -0.11 0.00 0.80 0.00 0.00 33.01 30.77 1nic s GLN 168 CO 0.00 0.50 1.44 -2.30 -0.50 0.00 0.00 175.29 174.43 1nic n PRO 169 N 0.75 2.55 -4.02 1.67 -0.02 -1.26 -0.08 135.00 134.58 1nic n PRO 169 Ca -0.06 0.89 -0.31 0.00 -2.02 0.00 0.00 63.50 62.01 1nic n PRO 169 Cb 0.52 -2.59 -0.16 0.00 -0.02 0.00 0.00 33.50 31.25 1nic n PRO 169 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nic s LEU 170 N -1.82 2.02 -0.16 2.45 1.43 0.32 -4.77 118.68 118.14 1nic s LEU 170 Ca 0.54 -0.70 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1nic s LEU 170 Cb -0.50 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 44.50 1nic s LEU 170 CO 0.64 -0.09 -0.18 -0.89 0.23 0.00 0.00 176.35 176.05 1nic s THR 171 N 1.42 2.33 0.13 5.49 2.01 -1.26 -4.01 115.64 121.75 1nic s THR 171 Ca 0.02 -0.87 -0.06 0.00 0.31 0.00 0.00 61.69 61.09 1nic s THR 171 Cb -0.14 -1.97 -0.06 0.00 0.01 0.00 0.00 72.50 70.34 1nic s THR 171 CO -0.10 0.53 0.38 -0.72 -0.69 0.00 0.00 174.62 174.02 1nic s TYR 172 N 1.03 3.49 -0.11 4.92 -0.85 -1.26 -4.83 117.35 119.74 1nic s TYR 172 Ca -0.01 0.60 0.07 0.00 -0.52 0.00 0.00 57.07 57.21 1nic s TYR 172 Cb -0.14 -2.03 -0.24 0.00 0.38 0.00 0.00 41.96 39.92 1nic s TYR 172 CO -0.05 0.44 0.40 -0.25 -1.52 0.00 0.00 175.55 174.57 1nic n ASP 173 N 0.21 1.18 -4.12 -0.18 8.00 0.82 -4.96 116.55 117.50 1nic n ASP 173 Ca -0.03 0.24 -0.15 0.00 0.71 0.00 0.00 54.79 55.56 1nic n ASP 173 Cb 0.52 -0.14 -0.11 0.00 -0.02 0.00 0.00 41.12 41.36 1nic n ASP 173 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1nic s LYS 174 N -2.56 0.69 -0.01 -1.24 1.02 -0.99 -5.02 119.74 111.63 1nic s LYS 174 Ca -0.13 -0.92 -0.00 0.00 0.02 0.00 0.00 55.97 54.94 1nic s LYS 174 Cb 0.07 -0.50 0.02 0.00 -0.52 0.00 0.00 37.83 36.90 1nic s LYS 174 CO 0.79 0.09 0.02 -1.50 -0.92 0.00 0.00 175.35 173.83 1nic s ILE 175 N -1.65 -0.03 0.06 2.17 2.07 -1.26 -1.31 121.20 121.25 1nic s ILE 175 Ca -0.04 0.13 0.05 0.00 -1.41 0.00 0.00 60.65 59.38 1nic s ILE 175 Cb -0.08 -0.05 -0.03 0.00 0.13 0.00 0.00 42.46 42.43 1nic s ILE 175 CO 0.01 0.05 -0.15 -0.31 -1.91 0.00 0.00 174.94 172.63 1nic s TYR 176 N 0.63 1.26 -0.23 3.50 2.02 -0.80 -4.52 117.35 119.20 1nic s TYR 176 Ca -0.05 -0.42 -0.02 0.00 -0.37 0.00 0.00 57.07 56.20 1nic s TYR 176 Cb -0.08 -0.72 0.01 0.00 -0.40 0.00 0.00 41.96 40.78 1nic s TYR 176 CO -0.02 0.06 -0.08 -0.47 -1.57 0.00 0.00 175.55 173.48 1nic s TYR 177 N -1.13 2.98 -0.34 2.71 5.04 -0.04 -1.49 117.35 125.07 1nic s TYR 177 Ca -0.00 -1.35 -0.06 0.00 -2.44 0.00 0.00 57.07 53.21 1nic s TYR 177 Cb -0.09 -2.05 0.04 0.00 0.35 0.00 0.00 41.96 40.21 1nic s TYR 177 CO 0.02 -0.68 0.11 0.08 -1.34 0.00 0.00 175.55 173.74 1nic s VAL 178 N 1.37 3.76 -0.28 3.14 1.01 0.46 -4.19 120.40 125.68 1nic s VAL 178 Ca 0.03 -1.17 -0.12 0.00 0.00 0.00 0.00 61.98 60.72 1nic s VAL 178 Cb -0.15 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 1nic s VAL 178 CO -0.05 -0.20 0.23 -0.83 0.00 0.00 0.00 175.10 174.25 1nic s GLY 179 N 1.44 1.92 -0.15 4.51 0.00 -1.26 -2.09 107.32 111.69 1nic s GLY 179 Ca -0.01 -1.04 -0.14 0.00 0.00 0.00 0.00 44.72 43.53 1nic s GLY 179 CO 0.03 0.73 0.30 1.85 0.00 0.00 0.00 173.10 176.00 1nic s GLU 180 N 1.83 4.21 -0.09 2.90 2.12 -0.71 -1.69 118.70 127.26 1nic s GLU 180 Ca 0.09 0.11 0.02 0.00 0.36 0.00 0.00 54.97 55.55 1nic s GLU 180 Cb -0.16 -3.40 0.01 0.00 0.26 0.00 0.00 34.13 30.84 1nic s GLU 180 CO 0.11 0.28 -0.15 -1.14 -0.54 0.00 0.00 175.26 173.82 1nic s GLN 181 N 0.32 2.12 -0.19 4.30 2.00 0.41 -4.55 119.66 124.08 1nic s GLN 181 Ca 0.17 -0.54 -0.15 0.00 -2.00 0.00 0.00 55.36 52.84 1nic s GLN 181 Cb -0.13 -1.77 -0.04 0.00 0.80 0.00 0.00 33.01 31.87 1nic s GLN 181 CO 0.04 -0.01 0.36 0.16 -0.50 0.00 0.00 175.29 175.34 1nic s ASP 182 N 0.83 6.42 0.09 6.67 -4.77 -1.26 -0.82 116.67 123.82 1nic s ASP 182 Ca -0.10 0.49 0.08 0.00 -3.30 0.00 0.00 52.55 49.71 1nic s ASP 182 Cb -0.15 -2.21 -0.04 0.00 -1.09 0.00 0.00 42.92 39.43 1nic s ASP 182 CO 0.01 -0.02 -0.17 -0.36 0.70 0.00 0.00 175.17 175.33 1nic s PHE 183 N 1.08 2.58 -0.60 2.11 0.08 0.79 -4.78 117.98 119.24 1nic s PHE 183 Ca 0.18 -0.24 0.05 0.00 0.12 0.00 0.00 56.93 57.04 1nic s PHE 183 Cb -0.14 -1.40 0.18 0.00 -0.57 0.00 0.00 43.02 41.09 1nic s PHE 183 CO 0.07 0.35 0.48 0.66 -0.10 0.00 0.00 175.22 176.68 1nic n TYR 184 N 1.04 1.90 -2.46 0.36 4.02 -1.26 -0.35 117.16 120.42 1nic n TYR 184 Ca -0.15 -3.97 -0.42 0.00 -0.01 0.00 0.00 57.90 53.35 1nic n TYR 184 Cb 0.52 -0.35 -0.03 0.00 -0.02 0.00 0.00 39.34 39.47 1nic n TYR 184 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1nic s VAL 185 N -1.14 4.26 0.49 -0.72 1.01 -1.26 -4.72 120.40 118.31 1nic s VAL 185 Ca 0.30 1.58 -0.24 0.00 0.00 0.00 0.00 61.98 63.61 1nic s VAL 185 Cb 0.02 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 1nic s VAL 185 CO -0.16 -0.01 1.39 -2.84 0.00 0.00 0.00 175.10 173.48 1nic s PRO 186 N 2.29 3.49 0.18 2.72 0.02 -1.26 -4.88 135.00 137.55 1nic s PRO 186 Ca 0.56 2.31 0.09 0.00 0.02 0.00 0.00 61.00 63.98 1nic s PRO 186 Cb -0.24 -2.50 -0.04 0.00 0.02 0.00 0.00 34.50 31.73 1nic s PRO 186 CO 0.21 -0.93 -0.20 0.15 -0.33 0.00 0.00 177.00 175.90 1nic s LYS 187 N -2.62 1.35 0.36 5.54 1.02 -1.26 -0.83 119.74 123.29 1nic s LYS 187 Ca 0.65 -1.45 -0.05 0.00 0.02 0.00 0.00 55.97 55.15 1nic s LYS 187 Cb -0.42 -1.48 0.08 0.00 -0.52 0.00 0.00 37.83 35.49 1nic s LYS 187 CO 0.52 0.31 0.48 -0.40 -0.92 0.00 0.00 175.35 175.34 1nic n ASP 188 N 0.26 0.20 -0.29 2.83 5.68 0.61 -4.89 116.55 120.95 1nic n ASP 188 Ca -0.13 -1.27 0.01 0.00 -0.50 0.00 0.00 54.79 52.90 1nic n ASP 188 Cb 0.57 -0.36 0.21 0.00 -1.14 0.00 0.00 41.12 40.41 1nic n ASP 188 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1nic h GLU 189 N 0.00 1.07 0.00 0.11 5.08 -2.01 -2.10 114.58 116.72 1nic h GLU 189 Ca -0.16 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1nic h GLU 189 Cb 0.47 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1nic h GLU 189 CO 0.13 0.71 0.00 0.00 -1.00 0.00 0.00 179.01 178.84 1nic n ALA 190 N -2.40 2.28 0.00 3.43 0.00 -1.26 -4.93 120.51 117.63 1nic n ALA 190 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1nic n ALA 190 Cb 0.09 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1nic n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nic n GLY 191 N 1.34 0.97 3.78 0.00 0.00 -0.79 -5.09 105.19 105.40 1nic n GLY 191 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1nic n GLY 191 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nic s ASN 192 N -2.03 7.33 0.28 1.61 0.01 -1.26 -4.77 114.94 116.11 1nic s ASN 192 Ca 0.00 1.62 -0.29 0.00 -0.71 0.00 0.00 52.86 53.47 1nic s ASN 192 Cb 0.00 -2.49 -0.10 0.00 0.41 0.00 0.00 41.25 39.07 1nic s ASN 192 CO 0.00 0.16 1.21 -0.31 -1.51 0.00 0.00 177.10 176.65 1nic s TYR 193 N -1.24 3.34 0.61 2.20 2.02 -1.26 -0.29 117.35 122.73 1nic s TYR 193 Ca 0.38 1.52 -0.09 0.00 -0.37 0.00 0.00 57.07 58.51 1nic s TYR 193 Cb -0.22 -3.48 -0.01 0.00 -0.40 0.00 0.00 41.96 37.85 1nic s TYR 193 CO 0.25 -1.22 0.98 0.15 -1.57 0.00 0.00 175.55 174.13 1nic s LYS 194 N -1.35 3.24 0.02 -0.62 3.01 -0.01 -4.86 119.74 119.16 1nic s LYS 194 Ca 0.48 0.41 0.05 0.00 -1.01 0.00 0.00 55.97 55.90 1nic s LYS 194 Cb -0.35 -2.16 -0.02 0.00 -1.01 0.00 0.00 37.83 34.29 1nic s LYS 194 CO 0.45 -0.66 -0.14 0.21 0.51 0.00 0.00 175.35 175.72 1nic s LYS 195 N -5.11 1.01 0.13 1.68 2.47 -1.26 -4.84 119.74 113.82 1nic s LYS 195 Ca 0.54 -0.63 0.05 0.00 -1.56 0.00 0.00 55.97 54.37 1nic s LYS 195 Cb -0.11 -1.00 -0.04 0.00 -1.46 0.00 0.00 37.83 35.22 1nic s LYS 195 CO 0.50 0.26 -0.11 0.71 0.16 0.00 0.00 175.35 176.87 1nic s TYR 196 N -0.60 1.24 -0.03 4.03 2.02 -1.26 -5.07 117.35 117.68 1nic s TYR 196 Ca 0.03 -0.70 -0.21 0.00 -0.37 0.00 0.00 57.07 55.83 1nic s TYR 196 Cb -0.07 -0.64 -0.30 0.00 -0.40 0.00 0.00 41.96 40.55 1nic s TYR 196 CO 0.00 0.07 0.95 0.93 -1.57 0.00 0.00 175.55 175.94 1nic h GLU 197 N 3.09 0.35 -4.90 -0.62 5.08 -2.01 -3.48 114.58 112.08 1nic h GLU 197 Ca -0.37 -0.54 -0.33 0.00 -1.00 0.00 0.00 59.36 57.12 1nic h GLU 197 Cb 1.19 0.19 -0.14 0.00 0.50 0.00 0.00 28.75 30.49 1nic h GLU 197 CO 0.59 1.24 -0.65 0.95 -1.00 0.00 0.00 179.01 180.14 1nic s THR 198 N -2.61 0.75 0.17 1.13 -4.23 -1.26 -5.07 115.64 104.51 1nic s THR 198 Ca -0.13 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.24 1nic s THR 198 Cb 0.02 -2.32 0.05 0.00 1.34 0.00 0.00 72.50 71.59 1nic s THR 198 CO 0.84 -0.31 1.80 -0.65 -0.54 0.00 0.00 174.62 175.77 1nic h PRO 199 N 2.55 0.53 -0.60 3.99 0.11 -1.94 -2.93 132.00 133.72 1nic h PRO 199 Ca -0.38 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.77 1nic h PRO 199 Cb 1.22 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 1nic h PRO 199 CO 0.63 0.35 0.40 0.78 -0.21 0.00 0.00 178.00 179.95 1nic h GLY 200 N 0.55 0.70 2.00 -0.55 0.00 -1.98 -0.31 103.07 103.46 1nic h GLY 200 Ca 0.19 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 1nic h GLY 200 CO -0.09 0.16 -0.18 -2.09 0.00 0.00 0.00 176.54 174.34 1nic h GLU 201 N 0.54 0.00 0.00 4.80 4.81 -1.94 -2.73 114.58 120.06 1nic h GLU 201 Ca 0.26 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.34 1nic h GLU 201 Cb 0.33 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1nic h GLU 201 CO -0.08 0.18 -0.91 0.00 -0.73 0.00 0.00 179.01 177.47 1nic h ALA 202 N 1.82 0.62 -0.53 2.92 0.00 -1.07 -3.42 119.26 119.60 1nic h ALA 202 Ca -0.00 -0.69 0.05 0.00 0.00 0.00 0.00 54.91 54.27 1nic h ALA 202 Cb 0.38 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1nic h ALA 202 CO 0.02 0.85 -0.31 0.98 0.00 0.00 0.00 179.25 180.79 1nic n TYR 203 N -3.13 -0.23 -0.20 0.00 9.36 -1.03 -1.13 117.16 120.79 1nic n TYR 203 Ca -0.03 0.67 -0.01 0.00 3.32 0.00 0.00 57.90 61.85 1nic n TYR 203 Cb 0.81 -0.52 0.10 0.00 -0.63 0.00 0.00 39.34 39.10 1nic n TYR 203 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1nic h GLU 204 N 0.00 0.39 -0.29 2.98 4.39 -1.80 -2.24 114.58 118.00 1nic h GLU 204 Ca 0.09 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.66 1nic h GLU 204 Cb 0.22 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1nic h GLU 204 CO -0.50 0.26 -0.26 -0.44 -1.16 0.00 0.00 179.01 176.91 1nic h ASP 205 N 0.41 0.59 -0.68 1.42 3.32 -1.71 -3.13 116.42 116.63 1nic h ASP 205 Ca 0.29 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1nic h ASP 205 Cb 0.35 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 1nic h ASP 205 CO -0.29 0.83 0.44 0.00 -1.72 0.00 0.00 179.24 178.50 1nic h ALA 206 N 1.21 0.87 -0.56 3.45 0.00 -0.56 -1.57 119.26 122.11 1nic h ALA 206 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1nic h ALA 206 Cb 0.71 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1nic h ALA 206 CO 0.05 0.24 0.26 0.28 0.00 0.00 0.00 179.25 180.09 1nic h VAL 207 N 0.88 1.21 -0.51 0.00 2.07 -1.40 -0.47 116.25 118.02 1nic h VAL 207 Ca 0.26 -0.59 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 1nic h VAL 207 Cb -0.05 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1nic h VAL 207 CO -0.08 0.24 0.01 0.50 0.02 0.00 0.00 177.57 178.25 1nic h LYS 208 N 0.76 0.86 -0.43 1.57 3.64 -1.47 -2.28 116.57 119.22 1nic h LYS 208 Ca 0.19 -0.24 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1nic h LYS 208 Cb 0.13 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1nic h LYS 208 CO -0.02 0.86 0.03 0.00 -2.27 0.00 0.00 179.45 178.04 1nic h ALA 209 N 1.20 0.57 -0.81 5.00 0.00 -0.88 -3.14 119.26 121.20 1nic h ALA 209 Ca 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1nic h ALA 209 Cb 0.47 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1nic h ALA 209 CO 0.02 0.34 0.37 0.52 0.00 0.00 0.00 179.25 180.50 1nic h MET 210 N 0.58 1.18 0.00 0.00 2.86 -0.89 -2.95 114.93 115.71 1nic h MET 210 Ca 0.12 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1nic h MET 210 Cb 0.45 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1nic h MET 210 CO 0.02 0.92 0.00 0.00 1.06 0.00 0.00 176.91 178.91 1nic h ARG 211 N 1.16 0.00 0.00 1.72 3.08 -1.36 -0.74 114.38 118.24 1nic h ARG 211 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1nic h ARG 211 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1nic h ARG 211 CO -0.03 0.00 0.00 1.79 -1.07 0.00 0.00 179.97 180.66 1nic h THR 212 N 0.00 0.00 -0.38 2.04 1.35 -1.60 -3.47 112.91 110.85 1nic h THR 212 Ca 0.00 -0.66 -0.17 0.00 -0.55 0.00 0.00 66.41 65.04 1nic h THR 212 Cb 0.05 1.62 -0.07 0.00 -1.73 0.00 0.00 68.15 68.02 1nic h THR 212 CO 0.00 0.00 -0.15 0.18 -0.25 0.00 0.00 175.52 175.30 1nic n LEU 213 N -2.88 -0.21 -4.05 3.87 4.32 -0.29 -4.96 117.00 112.80 1nic n LEU 213 Ca 0.03 0.20 -0.32 0.00 -0.02 0.00 0.00 56.01 55.90 1nic n LEU 213 Cb 0.40 -2.17 -0.15 0.00 -1.62 0.00 0.00 43.42 39.88 1nic n LEU 213 CO 0.29 -0.80 -0.41 -0.89 -1.22 0.00 0.00 177.39 174.36 1nic s THR 214 N -1.92 2.22 0.63 -5.08 2.01 -1.26 -5.11 115.64 107.13 1nic s THR 214 Ca 0.00 -1.89 -0.18 0.00 0.31 0.00 0.00 61.69 59.93 1nic s THR 214 Cb 0.00 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 1nic s THR 214 CO 0.00 -0.24 1.22 -2.84 -0.69 0.00 0.00 174.62 172.08 1nic s PRO 215 N 1.03 2.74 -0.01 4.92 0.02 -1.26 -4.90 135.00 137.54 1nic s PRO 215 Ca -0.02 1.86 0.17 0.00 0.02 0.00 0.00 61.00 63.03 1nic s PRO 215 Cb -0.20 -1.90 -0.19 0.00 0.02 0.00 0.00 34.50 32.24 1nic s PRO 215 CO -0.06 -1.40 0.65 0.25 -0.33 0.00 0.00 177.00 176.11 1nic n THR 216 N -1.86 1.22 -3.86 0.99 -2.24 0.53 -4.93 114.28 104.12 1nic n THR 216 Ca 0.14 -0.72 -0.12 0.00 -2.27 0.00 0.00 64.05 61.08 1nic n THR 216 Cb 0.49 -0.70 -0.12 0.00 -2.10 0.00 0.00 70.33 67.91 1nic n THR 216 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1nic s HIS 217 N -2.84 -0.03 -0.21 4.78 3.76 -1.12 -4.92 115.29 114.71 1nic s HIS 217 Ca -0.05 0.08 -0.03 0.00 -0.15 0.00 0.00 55.06 54.91 1nic s HIS 217 Cb 0.08 -0.01 0.07 0.00 1.11 0.00 0.00 32.58 33.83 1nic s HIS 217 CO 0.82 -0.14 0.07 0.42 -0.85 0.00 0.00 174.74 175.06 1nic s ILE 218 N -0.52 0.33 0.26 0.60 1.01 -0.94 -0.15 121.20 121.80 1nic s ILE 218 Ca -0.06 -0.57 0.09 0.00 0.00 0.00 0.00 60.65 60.11 1nic s ILE 218 Cb -0.04 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.41 1nic s ILE 218 CO 0.00 -0.33 -0.13 0.68 0.00 0.00 0.00 174.94 175.16 1nic s VAL 219 N 1.93 1.95 -0.14 2.92 -7.23 0.00 -0.14 120.40 119.69 1nic s VAL 219 Ca 0.02 -2.23 -0.05 0.00 -1.81 0.00 0.00 61.98 57.91 1nic s VAL 219 Cb -0.17 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1nic s VAL 219 CO -0.13 -0.42 0.03 -0.36 -0.31 0.00 0.00 175.10 173.91 1nic s PHE 220 N -2.83 3.22 -1.40 2.82 0.08 -1.26 -0.44 117.98 118.16 1nic s PHE 220 Ca 0.28 0.10 -0.10 0.00 0.12 0.00 0.00 56.93 57.32 1nic s PHE 220 Cb -0.00 -1.95 0.03 0.00 -0.57 0.00 0.00 43.02 40.53 1nic s PHE 220 CO 0.11 0.29 1.13 -1.71 -0.10 0.00 0.00 175.22 174.94 1nic n ASN 221 N 2.91 -5.89 0.00 1.36 4.05 -0.68 -3.36 115.26 113.65 1nic n ASN 221 Ca -0.18 -0.60 0.00 0.00 0.45 0.00 0.00 54.58 54.25 1nic n ASN 221 Cb 0.53 -4.74 0.00 0.00 1.23 0.00 0.00 39.78 36.80 1nic n ASN 221 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1nic n GLY 222 N -1.92 1.75 3.47 8.20 0.00 -0.97 -4.84 105.19 110.88 1nic n GLY 222 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 1nic n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nic s ALA 223 N -2.79 -1.62 0.17 4.61 0.00 -1.21 -4.68 121.76 116.23 1nic s ALA 223 Ca 0.00 0.98 -0.32 0.00 0.00 0.00 0.00 51.96 52.62 1nic s ALA 223 Cb 0.00 0.26 -0.11 0.00 0.00 0.00 0.00 23.12 23.28 1nic s ALA 223 CO 0.00 -0.48 1.68 0.08 0.00 0.00 0.00 175.76 177.04 1nic s VAL 224 N -1.97 2.41 -0.09 0.00 1.01 -0.35 -1.78 120.40 119.63 1nic s VAL 224 Ca -0.07 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1nic s VAL 224 Cb -0.01 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1nic s VAL 224 CO 0.03 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1nic n GLY 225 N 3.94 0.45 0.34 4.51 0.00 -1.26 -4.86 105.19 108.31 1nic n GLY 225 Ca 0.15 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1nic n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nic h ALA 226 N 0.00 1.77 -1.01 4.61 0.00 -1.57 -2.75 119.26 120.31 1nic h ALA 226 Ca -0.02 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 54.21 1nic h ALA 226 Cb 0.24 -0.16 -0.33 0.00 0.00 0.00 0.00 17.79 17.54 1nic h ALA 226 CO 0.02 0.14 0.35 1.28 0.00 0.00 0.00 179.25 181.04 1nic n LEU 227 N -4.47 6.68 -4.39 0.00 4.77 -1.26 -4.70 117.00 113.63 1nic n LEU 227 Ca 0.08 -4.64 -0.20 0.00 -0.03 0.00 0.00 56.01 51.22 1nic n LEU 227 Cb 0.20 -0.80 -0.10 0.00 -2.33 0.00 0.00 43.42 40.40 1nic n LEU 227 CO 0.34 1.78 -0.24 0.42 -1.33 0.00 0.00 177.39 178.36 1nic s THR 228 N -4.93 0.72 0.00 -5.08 -4.23 -1.04 -0.80 115.64 100.28 1nic s THR 228 Ca 0.57 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1nic s THR 228 Cb 0.46 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.68 1nic s THR 228 CO -0.12 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 1nic n GLY 229 N -0.62 3.94 0.00 3.99 0.00 -1.26 -0.67 105.19 110.57 1nic n GLY 229 Ca -0.01 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.14 1nic n GLY 229 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nic n ASP 230 N 6.82 0.00 -0.76 1.61 8.00 -1.26 -2.37 116.55 128.59 1nic n ASP 230 Ca 0.00 -0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.56 1nic n ASP 230 Cb 0.00 -0.26 0.20 0.00 -0.02 0.00 0.00 41.12 41.04 1nic n ASP 230 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1nic n HIS 231 N -1.26 0.67 -1.99 1.24 8.25 0.15 -5.01 115.22 117.28 1nic n HIS 231 Ca 0.08 -0.63 -0.36 0.00 -0.26 0.00 0.00 57.72 56.55 1nic n HIS 231 Cb 0.12 -0.13 0.04 0.00 1.12 0.00 0.00 29.99 31.13 1nic n HIS 231 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nic s ALA 232 N -1.65 2.54 0.48 -1.41 0.00 -1.00 -4.15 121.76 116.56 1nic s ALA 232 Ca 0.31 1.04 -0.21 0.00 0.00 0.00 0.00 51.96 53.09 1nic s ALA 232 Cb 0.20 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.78 1nic s ALA 232 CO 0.14 -1.21 1.07 -0.51 0.00 0.00 0.00 175.76 175.25 1nic s LEU 233 N -4.08 3.91 0.17 0.00 1.43 0.19 -4.84 118.68 115.46 1nic s LEU 233 Ca 0.78 2.04 0.11 0.00 -1.03 0.00 0.00 54.13 56.02 1nic s LEU 233 Cb -0.31 -4.45 -0.04 0.00 0.03 0.00 0.00 46.19 41.41 1nic s LEU 233 CO 0.34 -0.81 -0.24 0.42 0.23 0.00 0.00 176.35 176.29 1nic s THR 234 N -1.83 2.24 0.21 5.49 -4.23 -1.26 -1.00 115.64 115.27 1nic s THR 234 Ca 0.66 -1.95 -0.23 0.00 -1.18 0.00 0.00 61.69 59.00 1nic s THR 234 Cb -0.20 -2.04 0.06 0.00 1.34 0.00 0.00 72.50 71.65 1nic s THR 234 CO 0.24 -0.10 0.91 0.00 -0.54 0.00 0.00 174.62 175.13 1nic s ALA 235 N -1.58 -1.45 0.12 3.99 0.00 -1.13 -4.96 121.76 116.76 1nic s ALA 235 Ca 0.18 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.06 1nic s ALA 235 Cb -0.08 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 1nic s ALA 235 CO 0.08 -1.04 -0.15 0.00 0.00 0.00 0.00 175.76 174.66 1nic s ALA 236 N -3.10 1.54 0.16 0.00 0.00 -1.26 -1.59 121.76 117.52 1nic s ALA 236 Ca 0.14 -1.29 -0.33 0.00 0.00 0.00 0.00 51.96 50.48 1nic s ALA 236 Cb -0.03 -0.10 -0.13 0.00 0.00 0.00 0.00 23.12 22.87 1nic s ALA 236 CO 0.05 0.13 1.69 0.28 0.00 0.00 0.00 175.76 177.91 1nic n VAL 237 N 0.58 0.08 0.00 0.00 0.31 0.75 -1.65 118.33 118.40 1nic n VAL 237 Ca -0.16 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1nic n VAL 237 Cb 0.57 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 1nic n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nic n GLY 238 N 3.79 2.16 3.77 2.92 0.00 0.56 -4.99 105.19 113.41 1nic n GLY 238 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1nic n GLY 238 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nic s GLU 239 N -0.90 4.65 -0.26 1.61 2.02 -0.66 -4.82 118.70 120.34 1nic s GLU 239 Ca 0.00 1.32 -0.13 0.00 0.02 0.00 0.00 54.97 56.19 1nic s GLU 239 Cb 0.00 -3.03 -0.04 0.00 0.10 0.00 0.00 34.13 31.16 1nic s GLU 239 CO 0.00 0.41 0.27 1.03 0.02 0.00 0.00 175.26 176.99 1nic s ARG 240 N -1.64 4.01 -0.08 1.61 3.00 -1.26 -2.30 118.95 122.30 1nic s ARG 240 Ca 0.45 -0.13 0.04 0.00 0.00 0.00 0.00 55.73 56.09 1nic s ARG 240 Cb -0.22 -3.63 -0.01 0.00 0.00 0.00 0.00 34.95 31.09 1nic s ARG 240 CO 0.27 -0.17 -0.19 0.08 0.00 0.00 0.00 175.30 175.28 1nic s VAL 241 N 1.74 2.56 -0.22 3.52 1.01 -0.14 -0.13 120.40 128.74 1nic s VAL 241 Ca 0.11 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 1nic s VAL 241 Cb -0.15 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1nic s VAL 241 CO 0.09 0.56 0.05 -0.22 0.00 0.00 0.00 175.10 175.59 1nic s LEU 242 N -0.13 3.47 -0.29 3.92 2.96 -0.42 -1.61 118.68 126.59 1nic s LEU 242 Ca -0.03 -0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 53.70 1nic s LEU 242 Cb -0.14 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.67 1nic s LEU 242 CO 0.04 0.03 0.02 -0.69 -1.32 0.00 0.00 176.35 174.43 1nic s VAL 243 N 1.20 3.33 -0.10 1.68 1.01 0.51 -1.91 120.40 126.12 1nic s VAL 243 Ca 0.04 -1.04 -0.16 0.00 0.00 0.00 0.00 61.98 60.81 1nic s VAL 243 Cb -0.14 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 1nic s VAL 243 CO 0.03 0.03 0.42 -0.69 0.00 0.00 0.00 175.10 174.90 1nic s VAL 244 N 1.36 5.17 -0.04 2.92 1.01 -0.55 -1.59 120.40 128.68 1nic s VAL 244 Ca -0.01 0.85 0.02 0.00 0.00 0.00 0.00 61.98 62.84 1nic s VAL 244 Cb -0.18 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.45 1nic s VAL 244 CO -0.01 0.40 -0.10 -2.28 0.00 0.00 0.00 175.10 173.12 1nic s HIS 245 N 0.17 1.11 0.05 5.22 5.04 -0.41 -0.40 115.29 126.07 1nic s HIS 245 Ca 0.24 -0.33 0.04 0.00 -1.54 0.00 0.00 55.06 53.47 1nic s HIS 245 Cb -0.15 -0.82 -0.02 0.00 0.04 0.00 0.00 32.58 31.62 1nic s HIS 245 CO 0.10 -0.17 -0.13 -1.54 -2.34 0.00 0.00 174.74 170.66 1nic s SER 246 N 0.45 1.52 -0.22 9.88 1.04 -0.89 -0.83 113.70 124.65 1nic s SER 246 Ca -0.08 -0.51 -0.04 0.00 0.48 0.00 0.00 55.95 55.80 1nic s SER 246 Cb -0.12 -0.07 0.09 0.00 0.10 0.00 0.00 66.02 66.02 1nic s SER 246 CO 0.01 -0.03 0.16 -1.58 0.98 0.00 0.00 173.24 172.78 1nic s GLN 247 N -1.36 0.15 0.07 4.02 -0.44 -0.79 -1.73 119.66 119.59 1nic s GLN 247 Ca -0.01 -0.11 0.25 0.00 -2.50 0.00 0.00 55.36 52.99 1nic s GLN 247 Cb -0.09 -1.38 1.00 0.00 -1.64 0.00 0.00 33.01 30.90 1nic s GLN 247 CO 0.01 -0.78 1.79 0.00 0.50 0.00 0.00 175.29 176.81 1nic n ALA 248 N 5.29 2.13 0.00 1.58 0.00 -1.26 0.65 120.51 128.90 1nic n ALA 248 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1nic n ALA 248 Cb 0.47 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1nic n ALA 248 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1nic n ASN 249 N -1.74 0.43 -3.86 0.00 5.15 -1.26 -3.30 115.26 110.68 1nic n ASN 249 Ca 0.06 -0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.92 1nic n ASN 249 Cb 0.32 0.09 -0.10 0.00 -0.53 0.00 0.00 39.78 39.56 1nic n ASN 249 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1nic s ARG 250 N -0.18 0.47 0.62 1.20 3.52 -1.26 -4.69 118.95 118.62 1nic s ARG 250 Ca 0.00 -0.32 -0.18 0.00 -0.13 0.00 0.00 55.73 55.10 1nic s ARG 250 Cb 0.00 0.20 -0.02 0.00 -1.56 0.00 0.00 34.95 33.56 1nic s ARG 250 CO 0.00 -0.11 1.19 -0.51 -0.81 0.00 0.00 175.30 175.06 1nic s ASP 251 N -1.23 5.06 0.11 -2.12 1.01 -1.26 -3.46 116.67 114.78 1nic s ASP 251 Ca -0.13 2.31 -0.05 0.00 0.71 0.00 0.00 52.55 55.39 1nic s ASP 251 Cb -0.07 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.25 1nic s ASP 251 CO 0.02 -1.67 0.14 0.28 0.21 0.00 0.00 175.17 174.14 1nic s THR 252 N -1.77 0.13 -0.43 -1.27 -1.32 -0.71 -4.86 115.64 105.40 1nic s THR 252 Ca 0.75 -1.54 0.04 0.00 -1.21 0.00 0.00 61.69 59.73 1nic s THR 252 Cb -0.28 -1.69 0.17 0.00 -1.51 0.00 0.00 72.50 69.19 1nic s THR 252 CO 0.35 -0.58 0.35 0.00 -2.21 0.00 0.00 174.62 172.54 1nic s ARG 253 N -3.95 1.02 0.70 7.08 1.70 -1.26 -1.15 118.95 123.10 1nic s ARG 253 Ca 0.13 -2.19 -0.16 0.00 -0.47 0.00 0.00 55.73 53.04 1nic s ARG 253 Cb 0.06 -1.59 0.02 0.00 -0.57 0.00 0.00 34.95 32.87 1nic s ARG 253 CO -0.05 -1.37 1.26 -2.30 -1.08 0.00 0.00 175.30 171.77 1nic n PRO 254 N 2.81 0.81 -3.66 3.89 -0.02 -1.11 -0.49 135.00 137.24 1nic n PRO 254 Ca 0.28 0.34 -0.11 0.00 -2.02 0.00 0.00 63.50 61.99 1nic n PRO 254 Cb 0.46 -2.50 -0.08 0.00 -0.02 0.00 0.00 33.50 31.36 1nic n PRO 254 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1nic s HIS 255 N -1.63 -0.78 -0.45 6.00 2.46 0.41 -2.79 115.29 118.50 1nic s HIS 255 Ca 0.80 1.76 -0.13 0.00 0.47 0.00 0.00 55.06 57.96 1nic s HIS 255 Cb -0.35 0.35 0.07 0.00 -0.13 0.00 0.00 32.58 32.53 1nic s HIS 255 CO 0.44 -0.39 0.33 -1.17 -2.47 0.00 0.00 174.74 171.48 1nic s LEU 256 N 0.83 5.41 -0.21 8.88 2.96 -1.26 -0.79 118.68 134.50 1nic s LEU 256 Ca -0.04 -1.39 -0.29 0.00 -0.22 0.00 0.00 54.13 52.19 1nic s LEU 256 Cb -0.05 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 1nic s LEU 256 CO -0.07 -0.59 1.78 -0.63 -1.32 0.00 0.00 176.35 175.52 1nic s ILE 257 N 1.55 3.47 0.00 6.68 1.01 0.67 -1.57 121.20 133.01 1nic s ILE 257 Ca 0.04 0.52 0.00 0.00 0.00 0.00 0.00 60.65 61.21 1nic s ILE 257 Cb -0.24 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.73 1nic s ILE 257 CO 0.05 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.36 1nic n GLY 258 N 4.95 0.39 0.00 6.18 0.00 -1.26 -3.72 105.19 111.73 1nic n GLY 258 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1nic n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nic n GLY 259 N -1.74 5.64 3.57 -0.02 0.00 -0.61 -5.03 105.19 107.01 1nic n GLY 259 Ca 0.00 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 1nic n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nic s HIS 260 N -0.41 0.73 -0.55 1.61 0.09 -1.26 -4.73 115.29 110.78 1nic s HIS 260 Ca 0.00 -1.07 -0.08 0.00 -0.00 0.00 0.00 55.06 53.90 1nic s HIS 260 Cb 0.00 0.14 0.14 0.00 -0.00 0.00 0.00 32.58 32.86 1nic s HIS 260 CO 0.00 -1.18 0.42 0.20 -0.00 0.00 0.00 174.74 174.18 1nic s GLY 261 N -3.16 2.22 0.21 -2.22 0.00 -0.51 -4.76 107.32 99.10 1nic s GLY 261 Ca 0.26 -2.80 -0.09 0.00 0.00 0.00 0.00 44.72 42.09 1nic s GLY 261 CO 0.16 1.13 1.80 -0.55 0.00 0.00 0.00 173.10 175.64 1nic h ASP 262 N 8.04 0.54 -3.34 1.64 3.32 -1.58 -1.73 116.42 123.31 1nic h ASP 262 Ca -0.12 0.04 -0.43 0.00 0.02 0.00 0.00 57.03 56.54 1nic h ASP 262 Cb 1.04 -0.07 -0.36 0.00 0.22 0.00 0.00 39.33 40.16 1nic h ASP 262 CO 0.81 0.34 -0.77 -0.31 -1.72 0.00 0.00 179.24 177.59 1nic s TYR 263 N -6.09 0.73 -0.04 4.55 2.02 -1.00 -2.39 117.35 115.13 1nic s TYR 263 Ca -0.13 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.38 1nic s TYR 263 Cb 0.17 -0.75 0.01 0.00 -0.40 0.00 0.00 41.96 40.99 1nic s TYR 263 CO 0.76 -0.27 -0.08 0.08 -1.57 0.00 0.00 175.55 174.47 1nic s VAL 264 N 1.49 0.75 -0.70 0.71 1.01 0.16 -0.26 120.40 123.56 1nic s VAL 264 Ca -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 1nic s VAL 264 Cb -0.13 -0.70 0.17 0.00 0.00 0.00 0.00 36.38 35.72 1nic s VAL 264 CO -0.03 0.25 0.52 0.26 0.00 0.00 0.00 175.10 176.10 1nic s TRP 265 N 0.53 3.53 0.26 5.22 0.51 0.10 -0.28 118.94 128.81 1nic s TRP 265 Ca -0.08 -2.95 -0.02 0.00 -2.12 0.00 0.00 56.10 50.93 1nic s TRP 265 Cb -0.12 -3.09 0.44 0.00 -0.81 0.00 0.00 33.47 29.88 1nic s TRP 265 CO 0.01 -0.76 1.86 0.00 -0.51 0.00 0.00 176.95 177.55 1nic h ALA 266 N 6.45 1.37 -0.60 0.98 0.00 -1.89 -0.46 119.26 125.12 1nic h ALA 266 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nic h ALA 266 Cb 0.88 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1nic h ALA 266 CO 0.75 0.32 0.00 0.25 0.00 0.00 0.00 179.25 180.56 1nic n THR 267 N -4.58 1.08 -1.86 0.00 -2.24 -1.26 -4.20 114.28 101.22 1nic n THR 267 Ca 0.16 -0.89 -0.15 0.00 -2.27 0.00 0.00 64.05 60.90 1nic n THR 267 Cb 0.24 0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 1nic n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nic n GLY 268 N 1.33 0.63 3.33 3.38 0.00 -0.25 -4.76 105.19 108.85 1nic n GLY 268 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1nic n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nic s LYS 269 N -4.03 2.81 0.39 1.61 -0.14 -1.26 -0.83 119.74 118.29 1nic s LYS 269 Ca 0.00 -1.06 0.27 0.00 -1.36 0.00 0.00 55.97 53.81 1nic s LYS 269 Cb 0.00 -3.53 1.44 0.00 -1.68 0.00 0.00 37.83 34.06 1nic s LYS 269 CO 0.00 -0.62 1.81 0.74 -0.76 0.00 0.00 175.35 176.53 1nic h PHE 270 N 8.29 0.00 0.00 3.18 0.04 -1.91 -2.53 116.94 124.01 1nic h PHE 270 Ca -0.26 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.51 1nic h PHE 270 Cb 1.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.25 1nic h PHE 270 CO 0.59 0.00 0.00 0.54 -0.60 0.00 0.00 178.31 178.84 1nic n ARG 271 N -2.43 0.10 -3.74 1.51 1.74 -1.26 -4.72 116.66 107.85 1nic n ARG 271 Ca -0.02 0.09 -0.34 0.00 -0.77 0.00 0.00 57.85 56.81 1nic n ARG 271 Cb 0.05 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.93 1nic n ARG 271 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1nic s ASN 272 N -2.88 6.51 0.51 0.55 0.01 -0.96 -5.07 114.94 113.62 1nic s ASN 272 Ca 0.15 0.58 -0.20 0.00 -0.71 0.00 0.00 52.86 52.68 1nic s ASN 272 Cb 0.16 -2.10 -0.07 0.00 0.41 0.00 0.00 41.25 39.65 1nic s ASN 272 CO 0.41 0.24 1.11 -2.16 -1.51 0.00 0.00 177.10 175.19 1nic s PRO 273 N -1.82 3.53 0.68 -0.60 0.04 -1.26 -4.98 135.00 130.59 1nic s PRO 273 Ca 0.29 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 1nic s PRO 273 Cb -0.13 -2.10 -0.00 0.00 0.04 0.00 0.00 34.50 32.30 1nic s PRO 273 CO 0.17 -0.70 1.05 -1.25 0.04 0.00 0.00 177.00 176.31 1nic s PRO 274 N -3.16 3.10 0.20 0.56 0.04 -1.26 -4.97 135.00 129.51 1nic s PRO 274 Ca 0.70 0.85 -0.24 0.00 0.04 0.00 0.00 61.00 62.35 1nic s PRO 274 Cb -0.23 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.21 1nic s PRO 274 CO 0.27 -0.96 0.79 -0.51 0.04 0.00 0.00 177.00 176.62 1nic s ASP 275 N -3.94 7.31 0.06 6.66 1.01 0.62 -4.81 116.67 123.58 1nic s ASP 275 Ca 0.57 1.62 0.01 0.00 0.71 0.00 0.00 52.55 55.46 1nic s ASP 275 Cb -0.13 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1nic s ASP 275 CO 0.55 0.13 0.18 -0.76 0.21 0.00 0.00 175.17 175.48 1nic s LEU 276 N -1.45 4.25 -1.25 1.23 1.43 -1.26 -0.67 118.68 120.95 1nic s LEU 276 Ca 0.39 0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 53.65 1nic s LEU 276 Cb -0.21 -2.86 0.04 0.00 0.03 0.00 0.00 46.19 43.19 1nic s LEU 276 CO 0.25 0.17 0.36 0.47 0.23 0.00 0.00 176.35 177.83 1nic n ASP 277 N 0.33 -4.13 -4.77 2.29 8.00 -1.01 -4.93 116.55 112.33 1nic n ASP 277 Ca -0.06 -0.20 -0.40 0.00 0.71 0.00 0.00 54.79 54.84 1nic n ASP 277 Cb 0.51 -3.43 -0.01 0.00 -0.02 0.00 0.00 41.12 38.18 1nic n ASP 277 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1nic s GLN 278 N -5.67 4.07 -0.17 -1.24 -1.52 -0.66 -4.77 119.66 109.69 1nic s GLN 278 Ca 0.26 2.27 -0.08 0.00 -1.95 0.00 0.00 55.36 55.86 1nic s GLN 278 Cb -0.14 -2.87 -0.22 0.00 -0.22 0.00 0.00 33.01 29.56 1nic s GLN 278 CO 0.33 -0.45 0.18 -0.85 -0.25 0.00 0.00 175.29 174.24 1nic n GLU 279 N 0.33 0.69 -3.83 2.91 0.28 -1.26 -1.43 120.64 118.34 1nic n GLU 279 Ca 0.02 0.30 -0.12 0.00 -0.16 0.00 0.00 57.16 57.20 1nic n GLU 279 Cb 0.42 -1.67 -0.10 0.00 1.43 0.00 0.00 31.44 31.53 1nic n GLU 279 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1nic s THR 280 N -2.51 0.06 0.05 3.84 2.01 -1.26 -4.38 115.64 113.44 1nic s THR 280 Ca -0.27 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.21 1nic s THR 280 Cb 0.07 -0.46 -0.03 0.00 0.01 0.00 0.00 72.50 72.09 1nic s THR 280 CO 0.69 -0.29 -0.05 -1.66 -0.69 0.00 0.00 174.62 172.61 1nic s TRP 281 N -1.14 0.55 -0.26 4.92 -2.14 -1.12 -5.02 118.94 114.72 1nic s TRP 281 Ca -0.12 -0.67 -0.10 0.00 2.66 0.00 0.00 56.10 57.87 1nic s TRP 281 Cb -0.06 -0.35 -0.05 0.00 -3.10 0.00 0.00 33.47 29.91 1nic s TRP 281 CO 0.02 -0.18 0.16 -1.17 -2.66 0.00 0.00 176.95 173.12 1nic s LEU 282 N -1.99 4.00 -0.34 -4.66 1.98 -1.26 -2.74 118.68 113.67 1nic s LEU 282 Ca -0.06 0.03 -0.07 0.00 -2.89 0.00 0.00 54.13 51.15 1nic s LEU 282 Cb -0.05 -2.09 0.04 0.00 0.66 0.00 0.00 46.19 44.75 1nic s LEU 282 CO -0.03 0.01 0.11 -0.63 -1.89 0.00 0.00 176.35 173.93 1nic s ILE 283 N 1.37 3.86 0.48 6.68 1.01 -0.30 -4.67 121.20 129.63 1nic s ILE 283 Ca 0.07 -1.07 -0.24 0.00 0.00 0.00 0.00 60.65 59.41 1nic s ILE 283 Cb -0.15 -3.17 -0.07 0.00 0.01 0.00 0.00 42.46 39.09 1nic s ILE 283 CO 0.07 -0.16 1.31 -2.84 0.00 0.00 0.00 174.94 173.32 1nic s PRO 284 N 1.42 3.57 0.30 2.79 0.02 -1.26 -1.74 135.00 140.10 1nic s PRO 284 Ca -0.01 2.13 -0.29 0.00 0.02 0.00 0.00 61.00 62.84 1nic s PRO 284 Cb -0.19 -2.48 -0.13 0.00 0.02 0.00 0.00 34.50 31.73 1nic s PRO 284 CO 0.03 -0.81 1.37 0.41 -0.33 0.00 0.00 177.00 177.67 1nic n GLY 285 N 0.62 0.74 1.00 0.52 0.00 -1.22 -2.07 105.19 104.78 1nic n GLY 285 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1nic n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nic n GLY 286 N 1.45 0.75 3.09 -0.02 0.00 0.21 -4.76 105.19 105.91 1nic n GLY 286 Ca 0.08 -0.54 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 1nic n GLY 286 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nic s THR 287 N -2.00 0.18 -0.02 2.61 2.01 -0.88 -4.77 115.64 112.76 1nic s THR 287 Ca 0.00 -1.44 0.07 0.00 0.31 0.00 0.00 61.69 60.63 1nic s THR 287 Cb 0.00 -1.17 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 1nic s THR 287 CO 0.00 -0.80 -0.22 0.00 -0.69 0.00 0.00 174.62 172.91 1nic s ALA 288 N -3.25 1.86 0.31 7.40 0.00 -1.26 -1.88 121.76 124.95 1nic s ALA 288 Ca 0.01 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.04 1nic s ALA 288 Cb 0.03 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 1nic s ALA 288 CO -0.08 0.44 0.08 0.20 0.00 0.00 0.00 175.76 176.41 1nic s GLY 289 N -0.47 2.04 -0.06 0.00 0.00 -0.01 -3.06 107.32 105.76 1nic s GLY 289 Ca 0.07 -1.88 -0.05 0.00 0.00 0.00 0.00 44.72 42.87 1nic s GLY 289 CO -0.00 -1.74 0.14 0.00 0.00 0.00 0.00 173.10 171.50 1nic s ALA 290 N -3.44 -0.34 -0.03 3.20 0.00 -0.78 -1.29 121.76 119.07 1nic s ALA 290 Ca 0.35 0.46 0.04 0.00 0.00 0.00 0.00 51.96 52.81 1nic s ALA 290 Cb 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1nic s ALA 290 CO 0.15 -0.08 -0.16 0.00 0.00 0.00 0.00 175.76 175.66 1nic s ALA 291 N 0.29 1.41 -0.11 0.00 0.00 -0.62 -0.72 121.76 122.00 1nic s ALA 291 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1nic s ALA 291 Cb -0.03 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1nic s ALA 291 CO -0.01 0.28 -0.11 0.12 0.00 0.00 0.00 175.76 176.04 1nic s PHE 292 N -0.07 2.84 -0.05 0.00 2.19 0.65 -0.37 117.98 123.17 1nic s PHE 292 Ca -0.01 -0.39 -0.11 0.00 0.33 0.00 0.00 56.93 56.75 1nic s PHE 292 Cb -0.10 -1.80 0.02 0.00 -1.31 0.00 0.00 43.02 39.84 1nic s PHE 292 CO 0.01 -0.02 0.26 -0.47 1.83 0.00 0.00 175.22 176.83 1nic s TYR 293 N -0.04 -0.19 -0.23 10.12 5.04 -0.63 -1.56 117.35 129.86 1nic s TYR 293 Ca -0.02 0.38 -0.05 0.00 -2.44 0.00 0.00 57.07 54.94 1nic s TYR 293 Cb -0.14 0.07 -0.01 0.00 0.35 0.00 0.00 41.96 42.23 1nic s TYR 293 CO 0.04 -0.28 -0.01 0.99 -1.34 0.00 0.00 175.55 174.95 1nic s THR 294 N -0.77 3.59 0.16 4.34 2.01 -1.26 -0.97 115.64 122.74 1nic s THR 294 Ca -0.09 -0.45 -0.31 0.00 0.31 0.00 0.00 61.69 61.16 1nic s THR 294 Cb -0.04 -2.66 -0.09 0.00 0.01 0.00 0.00 72.50 69.72 1nic s THR 294 CO 0.02 0.38 1.40 -0.36 -0.69 0.00 0.00 174.62 175.37 1nic s PHE 295 N 1.51 3.19 -0.01 4.92 0.08 -0.97 -4.90 117.98 121.79 1nic s PHE 295 Ca 0.06 0.99 0.00 0.00 0.12 0.00 0.00 56.93 58.10 1nic s PHE 295 Cb -0.15 -3.71 -0.00 0.00 -0.57 0.00 0.00 43.02 38.59 1nic s PHE 295 CO -0.02 -2.43 0.01 0.54 -0.10 0.00 0.00 175.22 173.22 1nic n ARG 296 N 3.38 6.63 -4.07 0.44 1.74 -1.26 -0.33 116.66 123.19 1nic n ARG 296 Ca 0.10 -0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.04 1nic n ARG 296 Cb 0.42 -0.53 -0.13 0.00 -1.02 0.00 0.00 32.46 31.20 1nic n ARG 296 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1nic s GLN 297 N -1.06 0.40 0.66 5.56 -1.52 -1.26 -4.65 119.66 117.79 1nic s GLN 297 Ca 0.00 -0.42 -0.05 0.00 -1.95 0.00 0.00 55.36 52.94 1nic s GLN 297 Cb 0.00 -0.27 0.05 0.00 -0.22 0.00 0.00 33.01 32.57 1nic s GLN 297 CO 0.01 0.06 0.95 -1.25 -0.25 0.00 0.00 175.29 174.81 1nic s PRO 298 N -0.78 2.32 0.00 2.91 0.04 -1.26 -4.82 135.00 133.41 1nic s PRO 298 Ca -0.04 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 60.63 1nic s PRO 298 Cb -0.06 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1nic s PRO 298 CO -0.00 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.37 1nic n GLY 299 N -2.76 0.09 3.80 0.56 0.00 0.16 -4.93 105.19 102.11 1nic n GLY 299 Ca 0.08 -2.29 -0.38 0.00 0.00 0.00 0.00 46.02 43.43 1nic n GLY 299 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nic s VAL 300 N -0.07 5.04 0.01 1.61 1.01 -1.26 -1.00 120.40 125.74 1nic s VAL 300 Ca 0.00 0.90 0.07 0.00 0.00 0.00 0.00 61.98 62.95 1nic s VAL 300 Cb 0.00 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1nic s VAL 300 CO 0.00 0.50 -0.21 -0.31 0.00 0.00 0.00 175.10 175.08 1nic s TYR 301 N -0.58 1.85 -0.19 5.22 1.51 0.06 -4.98 117.35 120.23 1nic s TYR 301 Ca 0.25 -0.36 -0.08 0.00 -1.01 0.00 0.00 57.07 55.87 1nic s TYR 301 Cb -0.16 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.49 1nic s TYR 301 CO 0.13 0.02 0.08 0.00 -1.11 0.00 0.00 175.55 174.66 1nic s ALA 302 N -0.61 3.43 -0.28 3.71 0.00 -1.24 -1.02 121.76 125.75 1nic s ALA 302 Ca 0.08 -0.78 -0.09 0.00 0.00 0.00 0.00 51.96 51.17 1nic s ALA 302 Cb -0.08 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 1nic s ALA 302 CO 0.00 0.09 0.13 -0.47 0.00 0.00 0.00 175.76 175.51 1nic s TYR 303 N 0.52 3.15 0.12 0.00 5.04 -0.07 -0.24 117.35 125.87 1nic s TYR 303 Ca 0.04 -0.32 -0.00 0.00 -2.44 0.00 0.00 57.07 54.34 1nic s TYR 303 Cb -0.13 -2.31 -0.04 0.00 0.35 0.00 0.00 41.96 39.83 1nic s TYR 303 CO 0.01 -0.34 0.02 0.14 -1.34 0.00 0.00 175.55 174.04 1nic s VAL 304 N 1.65 0.27 -0.20 3.14 -7.23 0.03 -1.06 120.40 117.01 1nic s VAL 304 Ca 0.06 -1.91 -0.24 0.00 -1.81 0.00 0.00 61.98 58.08 1nic s VAL 304 Cb -0.16 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 34.83 1nic s VAL 304 CO 0.06 -0.59 0.81 0.21 -0.31 0.00 0.00 175.10 175.28 1nic s ASN 305 N -3.05 6.87 0.00 4.85 3.84 -1.14 -0.45 114.94 125.87 1nic s ASN 305 Ca 0.20 1.08 0.00 0.00 0.21 0.00 0.00 52.86 54.35 1nic s ASN 305 Cb 0.07 -2.43 0.00 0.00 -0.55 0.00 0.00 41.25 38.34 1nic s ASN 305 CO -0.00 -0.43 0.57 1.57 -2.79 0.00 0.00 177.10 176.01 1nic n HIS 306 N 5.52 0.00 -3.03 0.43 -0.00 0.36 -4.16 115.22 114.35 1nic n HIS 306 Ca 0.04 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.32 1nic n HIS 306 Cb 0.48 -0.02 -0.05 0.00 -0.00 0.00 0.00 29.99 30.40 1nic n HIS 306 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1nic s ASN 307 N -0.96 6.21 0.64 0.26 3.04 -1.26 -4.91 114.94 117.97 1nic s ASN 307 Ca 0.00 -1.02 0.37 0.00 0.04 0.00 0.00 52.86 52.25 1nic s ASN 307 Cb 0.00 -2.35 2.09 0.00 -1.54 0.00 0.00 41.25 39.45 1nic s ASN 307 CO 0.00 -1.14 2.24 -0.07 -3.04 0.00 0.00 177.10 175.09 1nic h LEU 308 N 10.37 0.00 -0.10 3.21 3.38 -1.99 -0.87 115.31 129.31 1nic h LEU 308 Ca -0.28 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 1nic h LEU 308 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1nic h LEU 308 CO 1.08 0.00 -0.32 0.40 0.09 0.00 0.00 178.44 179.69 1nic h ILE 309 N 0.00 1.39 -0.31 1.22 2.04 -1.91 0.63 117.51 120.57 1nic h ILE 309 Ca 0.01 -1.65 -0.06 0.00 1.00 0.00 0.00 64.86 64.16 1nic h ILE 309 Cb 0.18 2.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1nic h ILE 309 CO -0.00 0.48 -0.07 -0.33 0.00 0.00 0.00 178.15 178.23 1nic h GLU 310 N -0.04 0.51 0.18 2.37 5.08 -1.55 0.11 114.58 121.24 1nic h GLU 310 Ca -0.01 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1nic h GLU 310 Cb 0.94 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1nic h GLU 310 CO 0.07 0.59 -0.09 0.00 -1.00 0.00 0.00 179.01 178.58 1nic h ALA 311 N 1.45 -0.24 0.00 3.43 0.00 -1.19 -2.07 119.26 120.64 1nic h ALA 311 Ca 0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1nic h ALA 311 Cb 0.43 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1nic h ALA 311 CO 0.02 -0.26 -1.01 0.74 0.00 0.00 0.00 179.25 178.75 1nic h PHE 312 N -1.00 0.00 0.00 0.00 0.04 -0.89 -2.78 116.94 112.31 1nic h PHE 312 Ca -0.02 0.00 -0.41 0.00 2.80 0.00 0.00 57.97 60.34 1nic h PHE 312 Cb 0.39 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.47 1nic h PHE 312 CO 0.05 0.12 -2.49 0.39 -0.60 0.00 0.00 178.31 175.79 1nic n GLU 313 N -2.76 0.64 0.07 1.51 -0.58 0.27 -4.69 120.64 115.09 1nic n GLU 313 Ca -0.02 0.17 0.12 0.00 -0.42 0.00 0.00 57.16 57.01 1nic n GLU 313 Cb 0.61 -1.51 0.12 0.00 -0.57 0.00 0.00 31.44 30.08 1nic n GLU 313 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1nic h LEU 314 N -0.20 0.00 0.00 -4.62 4.07 -1.23 -3.49 115.31 109.83 1nic h LEU 314 Ca -0.60 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.17 1nic h LEU 314 Cb 1.84 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.58 1nic h LEU 314 CO -0.16 0.09 0.00 0.61 -1.08 0.00 0.00 178.44 177.90 1nic n GLY 315 N 1.30 1.10 2.52 0.83 0.00 -1.06 -2.21 105.19 107.68 1nic n GLY 315 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1nic n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nic n ALA 316 N -0.27 6.56 -3.31 4.61 0.00 0.80 -4.15 120.51 124.75 1nic n ALA 316 Ca 0.00 -3.73 -0.13 0.00 0.00 0.00 0.00 53.44 49.58 1nic n ALA 316 Cb 0.00 -3.42 -0.12 0.00 0.00 0.00 0.00 19.45 15.91 1nic n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nic s ALA 317 N 2.49 -0.67 0.28 0.00 0.00 -1.25 -2.88 121.76 119.72 1nic s ALA 317 Ca 0.58 0.86 0.03 0.00 0.00 0.00 0.00 51.96 53.43 1nic s ALA 317 Cb 0.16 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1nic s ALA 317 CO -0.07 -0.15 0.19 0.20 0.00 0.00 0.00 175.76 175.93 1nic s GLY 318 N 0.46 1.93 0.17 0.00 0.00 -0.22 -4.55 107.32 105.12 1nic s GLY 318 Ca -0.03 -1.85 0.07 0.00 0.00 0.00 0.00 44.72 42.92 1nic s GLY 318 CO -0.02 -1.48 -0.15 0.30 0.00 0.00 0.00 173.10 171.74 1nic s HIS 319 N -3.75 1.66 -0.06 1.90 3.76 0.02 -0.90 115.29 117.92 1nic s HIS 319 Ca 0.39 -0.55 0.02 0.00 -0.15 0.00 0.00 55.06 54.77 1nic s HIS 319 Cb 0.05 -0.81 0.01 0.00 1.11 0.00 0.00 32.58 32.94 1nic s HIS 319 CO 0.19 0.30 -0.11 -0.06 -0.85 0.00 0.00 174.74 174.20 1nic s PHE 320 N -2.54 1.35 -0.23 1.40 0.08 -0.19 -0.63 117.98 117.23 1nic s PHE 320 Ca 0.17 -0.48 -0.01 0.00 0.12 0.00 0.00 56.93 56.74 1nic s PHE 320 Cb -0.03 -1.00 0.02 0.00 -0.57 0.00 0.00 43.02 41.44 1nic s PHE 320 CO 0.06 -0.25 -0.10 0.15 -0.10 0.00 0.00 175.22 174.98 1nic s LYS 321 N 0.66 2.93 -0.10 0.44 1.02 -0.17 -0.76 119.74 123.76 1nic s LYS 321 Ca -0.14 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 54.96 1nic s LYS 321 Cb -0.15 -2.88 -0.02 0.00 -0.52 0.00 0.00 37.83 34.26 1nic s LYS 321 CO 0.03 -0.33 -0.12 0.08 -0.92 0.00 0.00 175.35 174.10 1nic s VAL 322 N 1.33 3.23 0.22 3.17 1.01 -0.17 -2.82 120.40 126.38 1nic s VAL 322 Ca 0.02 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1nic s VAL 322 Cb -0.16 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1nic s VAL 322 CO -0.06 0.55 0.37 0.42 0.00 0.00 0.00 175.10 176.38 1nic s THR 323 N -0.12 5.25 -4.68 3.92 -4.23 -0.62 -0.67 115.64 114.49 1nic s THR 323 Ca -0.01 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1nic s THR 323 Cb -0.13 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.90 1nic s THR 323 CO 0.03 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1nic n GLY 324 N -1.10 0.99 3.80 3.99 0.00 -1.26 -0.18 105.19 111.43 1nic n GLY 324 Ca -0.07 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 1nic n GLY 324 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nic s GLU 325 N -1.39 4.15 0.26 1.61 2.12 -1.26 -4.70 118.70 119.49 1nic s GLU 325 Ca 0.00 0.59 -0.29 0.00 0.36 0.00 0.00 54.97 55.63 1nic s GLU 325 Cb 0.00 -3.28 -0.09 0.00 0.26 0.00 0.00 34.13 31.02 1nic s GLU 325 CO 0.00 0.55 1.23 -0.46 -0.54 0.00 0.00 175.26 176.04 1nic s TRP 326 N -0.72 3.32 -0.42 5.30 -0.11 -1.26 -4.50 118.94 120.55 1nic s TRP 326 Ca 0.27 1.45 -0.09 0.00 1.22 0.00 0.00 56.10 58.95 1nic s TRP 326 Cb -0.18 -3.50 0.08 0.00 -1.50 0.00 0.00 33.47 28.37 1nic s TRP 326 CO 0.16 -1.37 0.26 1.21 -4.62 0.00 0.00 176.95 172.60 1nic s ASN 327 N -0.30 5.64 0.56 5.86 3.84 -1.26 -4.96 114.94 124.33 1nic s ASN 327 Ca 0.50 -1.53 0.35 0.00 0.21 0.00 0.00 52.86 52.39 1nic s ASN 327 Cb -0.35 -1.99 1.49 0.00 -0.55 0.00 0.00 41.25 39.84 1nic s ASN 327 CO 0.43 -0.55 2.02 0.44 -2.79 0.00 0.00 177.10 176.66 1nic h ASP 328 N 8.41 0.00 -0.44 -4.21 3.32 -1.96 -2.78 116.42 118.76 1nic h ASP 328 Ca -0.23 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.69 1nic h ASP 328 Cb 1.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1nic h ASP 328 CO 0.76 0.00 -0.25 -0.78 -1.72 0.00 0.00 179.24 177.26 1nic h ASP 329 N 0.00 0.98 -0.26 6.45 3.58 -2.02 -3.20 116.42 121.95 1nic h ASP 329 Ca 0.00 -0.41 -0.10 0.00 0.42 0.00 0.00 57.03 56.94 1nic h ASP 329 Cb 0.44 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.22 1nic h ASP 329 CO 0.00 1.18 -0.22 -0.07 -2.88 0.00 0.00 179.24 177.25 1nic h LEU 330 N 0.78 0.65 -7.08 2.28 4.07 -1.94 -3.46 115.31 110.61 1nic h LEU 330 Ca 0.09 -0.46 -0.06 0.00 0.08 0.00 0.00 57.88 57.53 1nic h LEU 330 Cb 0.83 -0.18 -0.22 0.00 1.08 0.00 0.00 40.66 42.17 1nic h LEU 330 CO 0.07 0.97 0.04 -0.32 -1.08 0.00 0.00 178.44 178.12 1nic s MET 331 N -4.40 0.77 -0.14 1.13 1.75 -1.08 -5.15 119.30 112.17 1nic s MET 331 Ca -0.13 0.82 -0.23 0.00 -1.25 0.00 0.00 55.69 54.90 1nic s MET 331 Cb 0.08 0.37 0.06 0.00 2.84 0.00 0.00 34.83 38.18 1nic s MET 331 CO 0.81 -0.11 0.58 -0.08 -0.65 0.00 0.00 175.02 175.57 1nic s THR 332 N 0.18 0.01 -0.50 10.11 -1.32 -1.26 -4.11 115.64 118.75 1nic s THR 332 Ca -0.01 -0.07 -0.24 0.00 -1.21 0.00 0.00 61.69 60.17 1nic s THR 332 Cb -0.04 -0.85 0.03 0.00 -1.51 0.00 0.00 72.50 70.13 1nic s THR 332 CO 0.02 -0.04 0.86 -0.55 -2.21 0.00 0.00 174.62 172.70 1nic s SER 333 N -0.35 6.38 0.00 8.08 0.15 -1.26 -4.91 113.70 121.79 1nic s SER 333 Ca -0.05 -0.24 -0.23 0.00 0.70 0.00 0.00 55.95 56.14 1nic s SER 333 Cb -0.03 -2.41 -0.18 0.00 -1.71 0.00 0.00 66.02 61.69 1nic s SER 333 CO 0.04 -1.07 1.25 0.58 1.20 0.00 0.00 173.24 175.24 1nic h VAL 334 N 6.01 1.40 -3.45 4.45 2.07 -2.02 -3.42 116.25 121.29 1nic h VAL 334 Ca -0.25 -1.41 -0.57 0.00 0.82 0.00 0.00 66.70 65.29 1nic h VAL 334 Cb 1.08 2.16 -0.39 0.00 -1.52 0.00 0.00 31.29 32.62 1nic h VAL 334 CO 1.02 0.40 -0.78 -0.69 0.02 0.00 0.00 177.57 177.54 1nic s VAL 335 N -4.02 1.12 0.61 2.57 1.01 -1.26 -5.12 120.40 115.31 1nic s VAL 335 Ca -0.15 -0.87 -0.19 0.00 0.00 0.00 0.00 61.98 60.77 1nic s VAL 335 Cb 0.03 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1nic s VAL 335 CO 0.73 -0.07 1.28 -0.54 0.00 0.00 0.00 175.10 176.50 1nic s LYS 336 N 1.60 2.81 -0.11 2.72 -0.14 -1.26 -4.86 119.74 120.50 1nic s LYS 336 Ca -0.03 2.04 -0.37 0.00 -1.36 0.00 0.00 55.97 56.25 1nic s LYS 336 Cb -0.17 -1.97 -0.15 0.00 -1.68 0.00 0.00 37.83 33.86 1nic s LYS 336 CO -0.07 -1.39 1.66 -2.30 -0.76 0.00 0.00 175.35 172.48 1nic n PRO 337 N -1.61 1.46 -3.73 -1.68 -0.02 -1.26 -4.95 135.00 123.21 1nic n PRO 337 Ca 0.14 0.53 -0.10 0.00 -2.02 0.00 0.00 63.50 62.05 1nic n PRO 337 Cb 0.48 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.67 1nic n PRO 337 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nic s ALA 338 N 2.64 -0.79 0.20 3.55 0.00 -1.26 -5.13 121.76 120.97 1nic s ALA 338 Ca 0.92 -0.25 -0.32 0.00 0.00 0.00 0.00 51.96 52.30 1nic s ALA 338 Cb -0.93 0.79 -0.12 0.00 0.00 0.00 0.00 23.12 22.85 1nic s ALA 338 CO 0.55 -0.71 1.70 0.43 0.00 0.00 0.00 175.76 177.73 1nic n SER 339 N -0.27 3.82 0.00 0.00 7.64 -1.26 -5.26 113.62 118.29 1nic n SER 339 Ca -0.12 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.82 1nic n SER 339 Cb 0.63 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 1nic n SER 339 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26