#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4c s ARG 2 N 0.00 3.90 -0.29 3.17 0.52 -1.26 -1.68 118.95 123.31 3i4c s ARG 2 Ca 0.00 0.85 -0.16 0.00 -0.52 0.00 0.00 55.73 55.90 3i4c s ARG 2 Cb 0.00 -2.18 0.15 0.00 0.52 0.00 0.00 34.95 33.44 3i4c s ARG 2 CO 0.00 -0.25 0.96 0.00 0.02 0.00 0.00 175.30 176.04 3i4c s ALA 3 N -2.61 -2.32 -0.39 2.13 0.00 -0.95 -2.73 121.76 114.89 3i4c s ALA 3 Ca 0.57 2.19 -0.17 0.00 0.00 0.00 0.00 51.96 54.55 3i4c s ALA 3 Cb -0.10 -1.75 0.01 0.00 0.00 0.00 0.00 23.12 21.28 3i4c s ALA 3 CO 0.33 -0.44 0.47 0.08 0.00 0.00 0.00 175.76 176.20 3i4c s VAL 4 N 1.52 5.05 0.43 0.00 1.01 0.21 -0.43 120.40 128.19 3i4c s VAL 4 Ca -0.08 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 61.91 3i4c s VAL 4 Cb -0.04 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 3i4c s VAL 4 CO -0.15 -0.33 0.09 -0.13 0.00 0.00 0.00 175.10 174.58 3i4c s ARG 5 N 2.26 2.11 -0.40 2.72 0.52 0.10 -3.43 118.95 122.84 3i4c s ARG 5 Ca 0.15 -2.04 -0.20 0.00 -0.52 0.00 0.00 55.73 53.12 3i4c s ARG 5 Cb -0.16 -1.78 0.01 0.00 0.52 0.00 0.00 34.95 33.54 3i4c s ARG 5 CO 0.14 -0.14 0.58 -1.17 0.02 0.00 0.00 175.30 174.73 3i4c s LEU 6 N -3.83 4.46 0.15 2.53 2.96 0.36 -0.87 118.68 124.43 3i4c s LEU 6 Ca 0.33 -0.20 0.11 0.00 -0.22 0.00 0.00 54.13 54.15 3i4c s LEU 6 Cb 0.06 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 3i4c s LEU 6 CO 0.18 -0.64 -0.24 -0.76 -1.32 0.00 0.00 176.35 173.56 3i4c s LEU 13 N 2.60 2.42 -0.04 -0.68 1.43 -1.26 -3.27 118.68 119.88 3i4c s LEU 13 Ca 0.21 -0.75 0.06 0.00 -1.03 0.00 0.00 54.13 52.62 3i4c s LEU 13 Cb -0.15 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 3i4c s LEU 13 CO 0.16 0.16 -0.24 -0.55 0.23 0.00 0.00 176.35 176.11 3i4c s SER 14 N -2.26 3.21 -0.40 2.29 0.15 -0.05 -4.95 113.70 111.69 3i4c s SER 14 Ca 0.17 -0.45 -0.23 0.00 0.70 0.00 0.00 55.95 56.13 3i4c s SER 14 Cb -0.09 -0.66 0.02 0.00 -1.71 0.00 0.00 66.02 63.57 3i4c s SER 14 CO 0.08 0.29 0.80 -0.22 1.20 0.00 0.00 173.24 175.38 3i4c s LEU 15 N -0.40 4.15 0.50 3.45 2.96 -1.26 -0.72 118.68 127.35 3i4c s LEU 15 Ca 0.04 0.21 0.06 0.00 -0.22 0.00 0.00 54.13 54.22 3i4c s LEU 15 Cb -0.12 -3.03 0.01 0.00 0.50 0.00 0.00 46.19 43.56 3i4c s LEU 15 CO 0.01 -0.81 0.36 -1.10 -1.32 0.00 0.00 176.35 173.49 3i4c s GLN 16 N 3.22 2.30 -0.57 1.98 -0.21 0.43 -4.95 119.66 121.88 3i4c s GLN 16 Ca 0.32 -1.90 0.04 0.00 0.02 0.00 0.00 55.36 53.83 3i4c s GLN 16 Cb -0.13 -2.13 0.16 0.00 1.00 0.00 0.00 33.01 31.92 3i4c s GLN 16 CO 0.19 -0.46 0.40 -2.00 -2.12 0.00 0.00 175.29 171.30 3i4c s GLU 17 N -4.19 1.78 0.53 2.91 2.56 -1.26 -2.25 118.70 118.77 3i4c s GLU 17 Ca 0.38 -2.73 0.05 0.00 0.00 0.00 0.00 54.97 52.67 3i4c s GLU 17 Cb -0.01 -2.62 0.05 0.00 2.00 0.00 0.00 34.13 33.54 3i4c s GLU 17 CO 0.22 -1.29 0.73 0.96 -0.56 0.00 0.00 175.26 175.32 3i4c s ILE 18 N -0.66 2.63 0.57 -3.70 -4.36 -0.68 -4.77 121.20 110.23 3i4c s ILE 18 Ca 0.26 -0.85 -0.09 0.00 -0.26 0.00 0.00 60.65 59.71 3i4c s ILE 18 Cb -0.06 -2.78 -0.04 0.00 1.25 0.00 0.00 42.46 40.83 3i4c s ILE 18 CO -0.14 0.00 0.94 -0.83 0.24 0.00 0.00 174.94 175.15 3i4c s GLY 19 N -4.48 1.61 -0.40 6.27 0.00 -1.26 0.11 107.32 109.18 3i4c s GLY 19 Ca 0.58 -0.23 -0.24 0.00 0.00 0.00 0.00 44.72 44.84 3i4c s GLY 19 CO 0.37 0.00 0.81 0.14 0.00 0.00 0.00 173.10 174.42 3i4c s VAL 20 N -3.01 4.67 0.81 1.40 1.01 -1.26 -4.70 120.40 119.33 3i4c s VAL 20 Ca 0.52 0.76 -0.14 0.00 0.00 0.00 0.00 61.98 63.13 3i4c s VAL 20 Cb -0.11 -4.27 0.03 0.00 0.00 0.00 0.00 36.38 32.04 3i4c s VAL 20 CO 0.50 -0.56 0.82 -2.65 0.00 0.00 0.00 175.10 173.22 3i4c n PRO 21 N 6.60 0.13 -3.83 2.72 -0.02 -1.26 -4.99 135.00 134.34 3i4c n PRO 21 Ca 0.03 0.10 -0.36 0.00 -2.02 0.00 0.00 63.50 61.26 3i4c n PRO 21 Cb 0.48 -2.12 -0.13 0.00 -0.02 0.00 0.00 33.50 31.70 3i4c n PRO 21 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3i4c s LYS 22 N -3.58 3.37 0.10 -0.52 0.00 -1.26 -5.02 119.74 112.83 3i4c s LYS 22 Ca 0.68 -0.65 -0.31 0.00 0.00 0.00 0.00 55.97 55.69 3i4c s LYS 22 Cb -0.29 -3.17 -0.09 0.00 0.00 0.00 0.00 37.83 34.28 3i4c s LYS 22 CO 0.56 -0.26 1.59 -1.25 0.00 0.00 0.00 175.35 176.00 3i4c s PRO 23 N 1.51 4.22 0.01 1.78 0.04 -1.26 -5.02 135.00 136.28 3i4c s PRO 23 Ca 0.05 2.30 0.06 0.00 0.04 0.00 0.00 61.00 63.45 3i4c s PRO 23 Cb -0.15 -3.44 -0.02 0.00 0.04 0.00 0.00 34.50 30.93 3i4c s PRO 23 CO -0.00 -0.66 -0.18 -1.59 0.04 0.00 0.00 177.00 174.61 3i4c s LYS 24 N 2.06 1.31 7.73 4.56 0.00 -1.26 -4.20 119.74 129.94 3i4c s LYS 24 Ca 0.71 -0.74 0.00 0.00 0.00 0.00 0.00 55.97 55.94 3i4c s LYS 24 Cb -0.40 -1.32 0.00 0.00 0.00 0.00 0.00 37.83 36.10 3i4c s LYS 24 CO 0.31 0.35 0.00 0.41 0.00 0.00 0.00 175.35 176.42 3i4c n GLY 25 N 2.27 3.12 0.35 0.59 0.00 -1.26 -2.44 105.19 107.83 3i4c n GLY 25 Ca -0.16 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 45.82 3i4c n GLY 25 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i4c n PRO 26 N 13.21 1.48 -1.25 1.61 -0.04 -1.26 -1.23 135.00 147.51 3i4c n PRO 26 Ca 0.00 -0.70 -0.31 0.00 -0.04 0.00 0.00 63.50 62.44 3i4c n PRO 26 Cb 0.00 -1.44 0.10 0.00 -0.04 0.00 0.00 33.50 32.11 3i4c n PRO 26 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3i4c s GLN 27 N -1.95 2.15 -0.02 0.54 -0.21 -1.02 -1.63 119.66 117.51 3i4c s GLN 27 Ca 0.38 1.27 0.01 0.00 0.02 0.00 0.00 55.36 57.03 3i4c s GLN 27 Cb 0.19 -1.88 0.02 0.00 1.00 0.00 0.00 33.01 32.34 3i4c s GLN 27 CO 0.31 -1.74 -0.01 0.08 -2.12 0.00 0.00 175.29 171.81 3i4c s VAL 28 N -2.77 0.20 -0.27 1.09 1.01 -0.58 -0.76 120.40 118.32 3i4c s VAL 28 Ca 0.63 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 3i4c s VAL 28 Cb -0.19 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.90 3i4c s VAL 28 CO 0.54 0.12 0.19 -0.22 0.00 0.00 0.00 175.10 175.73 3i4c s LEU 29 N 0.63 4.04 -0.09 3.92 2.96 0.11 -0.51 118.68 129.75 3i4c s LEU 29 Ca -0.06 0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.87 3i4c s LEU 29 Cb -0.09 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 3i4c s LEU 29 CO -0.01 -0.03 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.33 3i4c s ILE 30 N 1.60 4.05 -0.58 6.68 1.01 0.47 -0.05 121.20 134.38 3i4c s ILE 30 Ca 0.07 -0.34 -0.20 0.00 0.00 0.00 0.00 60.65 60.18 3i4c s ILE 30 Cb -0.15 -2.69 0.09 0.00 0.01 0.00 0.00 42.46 39.71 3i4c s ILE 30 CO 0.09 0.59 0.73 -0.75 0.00 0.00 0.00 174.94 175.61 3i4c s LYS 31 N -0.73 3.08 -0.06 2.79 2.20 0.13 -1.14 119.74 126.00 3i4c s LYS 31 Ca 0.11 -1.12 -0.34 0.00 -0.36 0.00 0.00 55.97 54.25 3i4c s LYS 31 Cb -0.11 -4.22 -0.12 0.00 -1.51 0.00 0.00 37.83 31.86 3i4c s LYS 31 CO 0.02 -1.51 1.82 0.28 -0.36 0.00 0.00 175.35 175.60 3i4c n VAL 32 N 5.64 0.47 0.37 4.02 0.31 -0.82 -1.91 118.33 126.40 3i4c n VAL 32 Ca -0.08 -0.08 0.05 0.00 -0.01 0.00 0.00 64.34 64.22 3i4c n VAL 32 Cb 0.44 -1.78 -0.06 0.00 -0.91 0.00 0.00 33.84 31.52 3i4c n VAL 32 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i4c n GLU 33 N 6.03 2.97 -3.64 5.55 1.02 -0.61 -4.46 120.64 127.50 3i4c n GLU 33 Ca 0.22 -0.02 -0.06 0.00 -0.02 0.00 0.00 57.16 57.28 3i4c n GLU 33 Cb 0.29 -1.03 -0.06 0.00 -0.02 0.00 0.00 31.44 30.61 3i4c n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i4c s ALA 34 N -2.11 -1.90 -0.31 0.62 0.00 -0.80 -4.68 121.76 112.59 3i4c s ALA 34 Ca 0.02 2.39 0.01 0.00 0.00 0.00 0.00 51.96 54.38 3i4c s ALA 34 Cb 0.07 -1.51 0.09 0.00 0.00 0.00 0.00 23.12 21.78 3i4c s ALA 34 CO 0.41 -0.52 0.06 0.00 0.00 0.00 0.00 175.76 175.71 3i4c s ALA 35 N 1.95 2.04 0.65 0.00 0.00 0.41 -2.67 121.76 124.14 3i4c s ALA 35 Ca -0.09 -1.88 -0.16 0.00 0.00 0.00 0.00 51.96 49.83 3i4c s ALA 35 Cb -0.07 -1.70 -0.00 0.00 0.00 0.00 0.00 23.12 21.35 3i4c s ALA 35 CO -0.20 -1.59 1.13 0.20 0.00 0.00 0.00 175.76 175.31 3i4c s GLY 36 N 1.35 2.29 -0.04 0.00 0.00 -0.41 0.01 107.32 110.52 3i4c s GLY 36 Ca 0.08 0.67 0.03 0.00 0.00 0.00 0.00 44.72 45.50 3i4c s GLY 36 CO -0.16 1.03 -0.14 0.14 0.00 0.00 0.00 173.10 173.97 3i4c s VAL 37 N -2.15 1.18 0.24 1.40 1.01 0.24 -4.37 120.40 117.95 3i4c s VAL 37 Ca 0.70 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 3i4c s VAL 37 Cb -0.23 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 3i4c s VAL 37 CO 0.39 0.35 0.22 0.00 0.00 0.00 0.00 175.10 176.07 3i4c h HIS 39 N 2.45 0.00 -0.01 0.00 2.76 -1.98 0.14 115.15 118.51 3i4c h HIS 39 Ca -0.32 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 3i4c h HIS 39 Cb 1.25 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.20 3i4c h HIS 39 CO 0.72 0.00 0.01 0.77 -1.30 0.00 0.00 177.93 178.13 3i4c h SER 40 N 0.00 0.00 1.54 3.26 0.02 -2.01 0.87 113.55 117.23 3i4c h SER 40 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3i4c h SER 40 Cb 1.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.97 3i4c h SER 40 CO -0.00 0.00 0.00 0.44 -1.14 0.00 0.00 176.83 176.13 3i4c h ASP 41 N 0.00 0.00 -0.49 3.07 3.32 -1.12 -1.86 116.42 119.33 3i4c h ASP 41 Ca 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 3i4c h ASP 41 Cb 0.02 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3i4c h ASP 41 CO -0.00 0.00 -0.04 0.58 -1.72 0.00 0.00 179.24 178.06 3i4c h VAL 42 N 0.00 1.27 -0.25 -1.35 2.07 -0.93 -2.19 116.25 114.86 3i4c h VAL 42 Ca 0.00 -1.15 -0.18 0.00 0.82 0.00 0.00 66.70 66.19 3i4c h VAL 42 Cb 0.77 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3i4c h VAL 42 CO 0.00 0.40 -0.54 0.45 0.02 0.00 0.00 177.57 177.90 3i4c h HIS 43 N 0.76 1.04 -0.30 1.57 3.86 -1.45 -3.18 115.15 117.45 3i4c h HIS 43 Ca 0.13 -0.38 0.06 0.00 -1.16 0.00 0.00 60.37 59.02 3i4c h HIS 43 Cb 0.57 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.80 3i4c h HIS 43 CO 0.04 1.20 -0.08 0.52 0.86 0.00 0.00 177.93 180.47 3i4c h MET 44 N 0.58 -0.01 -2.29 2.45 2.07 -1.22 -3.51 114.93 113.00 3i4c h MET 44 Ca 0.00 0.00 -0.15 0.00 -2.07 0.00 0.00 59.70 57.49 3i4c h MET 44 Cb 1.16 0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 30.84 3i4c h MET 44 CO 0.12 -0.01 -0.07 -2.13 1.07 0.00 0.00 176.91 175.90 3i4c n ARG 45 N -5.26 1.50 0.00 1.72 0.63 -0.83 -5.10 116.66 109.31 3i4c n ARG 45 Ca 0.00 -0.76 0.00 0.00 -0.92 0.00 0.00 57.85 56.17 3i4c n ARG 45 Cb 0.18 -1.88 0.00 0.00 0.45 0.00 0.00 32.46 31.20 3i4c n ARG 45 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 3i4c n ILE 54 N 2.67 0.00 -0.06 5.15 -5.35 -1.26 -5.04 119.36 115.47 3i4c n ILE 54 Ca 0.32 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.74 3i4c n ILE 54 Cb 0.66 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.51 3i4c n ILE 54 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3i4c h VAL 55 N 0.00 0.54 0.00 7.28 2.07 -1.93 -2.30 116.25 121.90 3i4c h VAL 55 Ca 0.00 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.06 3i4c h VAL 55 Cb 0.00 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3i4c h VAL 55 CO 0.00 0.18 -0.08 -0.33 0.02 0.00 0.00 177.57 177.36 3i4c h GLU 56 N -1.00 0.00 0.00 1.57 3.07 -1.96 -2.07 114.58 114.19 3i4c h GLU 56 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3i4c h GLU 56 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 3i4c h GLU 56 CO -0.02 0.08 0.00 -0.25 -1.40 0.00 0.00 179.01 177.42 3i4c n ASP 57 N -4.00 0.00 0.00 1.42 8.00 -1.26 -4.55 116.55 116.16 3i4c n ASP 57 Ca -0.03 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.48 3i4c n ASP 57 Cb 0.17 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.31 3i4c n ASP 57 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3i4c n LEU 58 N -0.12 0.00 -3.58 0.64 4.32 -1.02 -4.79 117.00 112.46 3i4c n LEU 58 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.77 3i4c n LEU 58 Cb 0.00 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 41.87 3i4c n LEU 58 CO 0.00 0.00 0.15 0.61 -1.22 0.00 0.00 177.39 176.93 3i4c n GLY 59 N -0.71 -0.45 3.68 -0.72 0.00 -0.78 -4.93 105.19 101.28 3i4c n GLY 59 Ca 0.01 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3i4c n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i4c s VAL 60 N -3.37 4.17 -0.50 1.61 1.01 -0.90 -4.98 120.40 117.45 3i4c s VAL 60 Ca 0.32 1.47 -0.14 0.00 0.00 0.00 0.00 61.98 63.64 3i4c s VAL 60 Cb -0.14 -3.95 0.11 0.00 0.00 0.00 0.00 36.38 32.40 3i4c s VAL 60 CO 0.75 -0.05 0.42 -0.75 0.00 0.00 0.00 175.10 175.47 3i4c s LYS 61 N 2.72 2.82 0.48 2.72 2.47 -1.26 -4.55 119.74 125.13 3i4c s LYS 61 Ca 0.57 -1.63 -0.21 0.00 -1.56 0.00 0.00 55.97 53.14 3i4c s LYS 61 Cb -0.25 -4.12 -0.08 0.00 -1.46 0.00 0.00 37.83 31.92 3i4c s LYS 61 CO 0.20 -1.20 1.09 -0.51 0.16 0.00 0.00 175.35 175.10 3i4c s LEU 62 N 1.53 3.90 0.80 5.43 1.02 -1.26 -4.30 118.68 125.80 3i4c s LEU 62 Ca 0.04 2.10 -0.12 0.00 0.02 0.00 0.00 54.13 56.17 3i4c s LEU 62 Cb -0.27 -4.44 0.07 0.00 0.02 0.00 0.00 46.19 41.57 3i4c s LEU 62 CO 0.03 -0.88 1.14 -2.16 0.02 0.00 0.00 176.35 174.49 3i4c s PRO 63 N -3.01 2.09 -0.17 1.29 0.04 -1.26 -5.18 135.00 128.79 3i4c s PRO 63 Ca 0.66 0.29 -0.13 0.00 0.04 0.00 0.00 61.00 61.87 3i4c s PRO 63 Cb -0.22 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.42 3i4c s PRO 63 CO 0.26 -1.54 0.44 0.54 0.04 0.00 0.00 177.00 176.74 3i4c s VAL 64 N -3.42 -0.01 -0.16 -0.36 0.11 -1.20 -4.94 120.40 110.42 3i4c s VAL 64 Ca 0.61 0.03 -0.29 0.00 -2.93 0.00 0.00 61.98 59.40 3i4c s VAL 64 Cb -0.12 -0.64 -0.00 0.00 -1.53 0.00 0.00 36.38 34.09 3i4c s VAL 64 CO 0.51 0.01 1.04 -0.89 -3.33 0.00 0.00 175.10 172.44 3i4c s THR 65 N 0.73 4.70 1.03 5.04 2.01 -1.26 -0.48 115.64 127.40 3i4c s THR 65 Ca -0.04 2.00 -0.17 0.00 0.31 0.00 0.00 61.69 63.79 3i4c s THR 65 Cb -0.05 -4.29 0.25 0.00 0.01 0.00 0.00 72.50 68.42 3i4c s THR 65 CO -0.05 -0.08 1.21 0.18 -0.69 0.00 0.00 174.62 175.18 3i4c n LEU 66 N 5.63 0.00 0.00 4.42 4.32 -1.22 0.18 117.00 130.33 3i4c n LEU 66 Ca 0.10 -1.31 0.00 0.00 -0.02 0.00 0.00 56.01 54.79 3i4c n LEU 66 Cb 0.47 -0.98 0.00 0.00 -1.62 0.00 0.00 43.42 41.29 3i4c n LEU 66 CO 0.52 -1.67 0.00 0.61 -1.22 0.00 0.00 177.39 175.63 3i4c n GLY 67 N -3.80 0.55 1.13 -0.72 0.00 -1.25 -0.68 105.19 100.42 3i4c n GLY 67 Ca 0.16 -0.68 0.11 0.00 0.00 0.00 0.00 46.02 45.61 3i4c n GLY 67 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i4c n HIS 68 N 0.00 0.53 -3.82 1.61 1.44 -1.25 -0.54 115.22 113.19 3i4c n HIS 68 Ca 0.00 -0.28 -0.34 0.00 -2.01 0.00 0.00 57.72 55.09 3i4c n HIS 68 Cb 0.00 -0.00 -0.12 0.00 0.12 0.00 0.00 29.99 29.99 3i4c n HIS 68 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3i4c s GLU 69 N -1.39 2.25 -0.11 -1.40 2.02 -1.26 -4.58 118.70 114.24 3i4c s GLU 69 Ca 0.38 -2.44 -0.02 0.00 0.02 0.00 0.00 54.97 52.91 3i4c s GLU 69 Cb 0.22 -3.55 -0.03 0.00 0.10 0.00 0.00 34.13 30.87 3i4c s GLU 69 CO 0.30 -1.13 -0.04 0.42 0.02 0.00 0.00 175.26 174.84 3i4c s ILE 70 N 0.05 3.94 -0.24 -1.63 1.01 -1.26 -1.29 121.20 121.78 3i4c s ILE 70 Ca 0.16 -0.37 -0.21 0.00 0.00 0.00 0.00 60.65 60.22 3i4c s ILE 70 Cb -0.22 -2.67 0.06 0.00 0.01 0.00 0.00 42.46 39.64 3i4c s ILE 70 CO -0.03 0.56 0.63 0.00 0.00 0.00 0.00 174.94 176.10 3i4c s ALA 71 N -0.38 -1.56 0.00 9.38 0.00 -1.09 -1.32 121.76 126.79 3i4c s ALA 71 Ca 0.06 1.80 0.00 0.00 0.00 0.00 0.00 51.96 53.82 3i4c s ALA 71 Cb -0.12 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.95 3i4c s ALA 71 CO 0.02 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3i4c n GLY 72 N 2.85 -1.28 3.86 0.00 0.00 -0.30 -1.57 105.19 108.76 3i4c n GLY 72 Ca -0.14 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.59 3i4c n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4c s LYS 73 N -0.52 3.57 -0.04 1.61 1.02 -0.80 -0.76 119.74 123.82 3i4c s LYS 73 Ca 0.00 -0.02 -0.30 0.00 0.02 0.00 0.00 55.97 55.67 3i4c s LYS 73 Cb 0.00 -3.21 -0.06 0.00 -0.52 0.00 0.00 37.83 34.05 3i4c s LYS 73 CO 0.00 0.74 1.61 0.42 -0.92 0.00 0.00 175.35 177.20 3i4c s ILE 74 N -0.97 3.57 -0.12 2.17 1.01 0.25 0.17 121.20 127.28 3i4c s ILE 74 Ca 0.17 0.76 -0.14 0.00 0.00 0.00 0.00 60.65 61.44 3i4c s ILE 74 Cb -0.13 -3.49 -0.26 0.00 0.01 0.00 0.00 42.46 38.59 3i4c s ILE 74 CO 0.06 -0.05 0.46 -0.08 0.00 0.00 0.00 174.94 175.32 3i4c h GLU 75 N 9.16 0.22 -2.17 2.79 4.57 -0.78 0.16 114.58 128.54 3i4c h GLU 75 Ca -0.39 -0.37 -0.06 0.00 -1.18 0.00 0.00 59.36 57.35 3i4c h GLU 75 Cb 1.18 0.14 -0.20 0.00 -0.16 0.00 0.00 28.75 29.70 3i4c h GLU 75 CO 0.95 1.18 0.09 -2.00 -1.18 0.00 0.00 179.01 178.04 3i4c s GLU 76 N -2.49 0.89 0.01 1.92 2.12 -1.01 -4.83 118.70 115.32 3i4c s GLU 76 Ca -0.22 0.52 0.05 0.00 0.36 0.00 0.00 54.97 55.68 3i4c s GLU 76 Cb 0.05 0.42 -0.03 0.00 0.26 0.00 0.00 34.13 34.83 3i4c s GLU 76 CO 0.74 -0.21 -0.12 0.14 -0.54 0.00 0.00 175.26 175.27 3i4c s VAL 77 N -0.50 3.21 0.00 3.70 -7.23 -1.26 0.07 120.40 118.39 3i4c s VAL 77 Ca -0.06 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 3i4c s VAL 77 Cb -0.03 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.55 3i4c s VAL 77 CO 0.05 0.39 0.00 0.61 -0.31 0.00 0.00 175.10 175.84 3i4c n GLY 78 N 1.63 1.46 2.33 2.32 0.00 0.06 -4.92 105.19 108.08 3i4c n GLY 78 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3i4c n GLY 78 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i4c n GLU 80 N 0.00 0.00 -1.67 1.61 1.02 -0.37 -4.60 120.64 116.64 3i4c n GLU 80 Ca 0.00 0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.69 3i4c n GLU 80 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 3i4c n GLU 80 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3i4c n VAL 81 N 0.00 1.03 -4.34 2.62 0.31 -1.10 -4.80 118.33 112.05 3i4c n VAL 81 Ca 0.00 -0.26 -0.18 0.00 -0.01 0.00 0.00 64.34 63.89 3i4c n VAL 81 Cb 0.00 -1.43 -0.15 0.00 -0.91 0.00 0.00 33.84 31.35 3i4c n VAL 81 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3i4c s VAL 82 N -0.15 0.67 0.00 2.52 1.01 -1.26 -4.82 120.40 118.36 3i4c s VAL 82 Ca 0.67 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.30 3i4c s VAL 82 Cb -0.66 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.16 3i4c s VAL 82 CO 0.51 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.41 3i4c n GLY 83 N 2.92 1.00 3.08 4.51 0.00 -1.26 -5.02 105.19 110.41 3i4c n GLY 83 Ca -0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 3i4c n GLY 83 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i4c s TYR 84 N -3.31 0.79 0.11 1.61 1.51 -1.26 -5.12 117.35 111.69 3i4c s TYR 84 Ca 0.00 -0.43 0.03 0.00 -1.01 0.00 0.00 57.07 55.66 3i4c s TYR 84 Cb 0.00 -0.47 -0.04 0.00 -0.11 0.00 0.00 41.96 41.34 3i4c s TYR 84 CO 0.00 -0.04 -0.08 -1.12 -1.11 0.00 0.00 175.55 173.21 3i4c s SER 85 N -1.38 1.34 0.41 2.29 0.01 -1.26 -5.01 113.70 110.09 3i4c s SER 85 Ca -0.06 -1.01 -0.26 0.00 1.31 0.00 0.00 55.95 55.93 3i4c s SER 85 Cb -0.09 0.06 -0.10 0.00 0.21 0.00 0.00 66.02 66.11 3i4c s SER 85 CO 0.01 -0.43 1.29 1.17 0.41 0.00 0.00 173.24 175.69 3i4c n LYS 86 N -0.09 2.01 0.00 12.44 4.81 -1.26 -2.01 118.16 134.06 3i4c n LYS 86 Ca -0.11 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 3i4c n LYS 86 Cb 0.61 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.26 3i4c n LYS 86 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i4c n GLY 87 N 0.78 3.39 3.77 3.14 0.00 0.57 -4.94 105.19 111.90 3i4c n GLY 87 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3i4c n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i4c s ASP 88 N -1.02 6.33 -0.16 1.61 1.01 -0.85 -4.61 116.67 118.99 3i4c s ASP 88 Ca 0.00 2.68 -0.15 0.00 0.71 0.00 0.00 52.55 55.79 3i4c s ASP 88 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 3i4c s ASP 88 CO 0.00 -0.84 0.35 -0.22 0.21 0.00 0.00 175.17 174.68 3i4c s LEU 89 N -2.37 4.23 0.08 1.23 2.96 -1.26 -0.58 118.68 122.97 3i4c s LEU 89 Ca 0.56 0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 55.00 3i4c s LEU 89 Cb -0.39 -2.47 -0.02 0.00 0.50 0.00 0.00 46.19 43.81 3i4c s LEU 89 CO 0.50 0.04 0.10 0.68 -1.32 0.00 0.00 176.35 176.35 3i4c s VAL 90 N 0.68 0.16 0.26 1.68 -7.23 0.07 -0.37 120.40 115.64 3i4c s VAL 90 Ca 0.19 -1.52 0.10 0.00 -1.81 0.00 0.00 61.98 58.94 3i4c s VAL 90 Cb -0.14 -1.53 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 3i4c s VAL 90 CO 0.06 -0.74 -0.10 0.00 -0.31 0.00 0.00 175.10 174.01 3i4c s ALA 91 N -3.91 2.96 -0.02 1.32 0.00 -0.64 -1.15 121.76 120.32 3i4c s ALA 91 Ca 0.09 -1.72 0.04 0.00 0.00 0.00 0.00 51.96 50.37 3i4c s ALA 91 Cb 0.06 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 3i4c s ALA 91 CO -0.08 0.30 -0.14 0.08 0.00 0.00 0.00 175.76 175.92 3i4c s VAL 92 N -2.30 1.12 -0.49 0.00 1.01 -0.43 -1.52 120.40 117.79 3i4c s VAL 92 Ca 0.30 -0.59 -0.23 0.00 0.00 0.00 0.00 61.98 61.45 3i4c s VAL 92 Cb -0.06 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.41 3i4c s VAL 92 CO 0.17 0.32 0.83 0.21 0.00 0.00 0.00 175.10 176.63 3i4c s ASN 93 N -0.21 6.37 0.33 3.32 3.84 0.45 -4.53 114.94 124.51 3i4c s ASN 93 Ca 0.03 -0.26 0.26 0.00 0.21 0.00 0.00 52.86 53.10 3i4c s ASN 93 Cb -0.07 -2.40 0.87 0.00 -0.55 0.00 0.00 41.25 39.11 3i4c s ASN 93 CO -0.00 -1.03 1.76 1.55 -2.79 0.00 0.00 177.10 176.60 3i4c h PRO 94 N 9.10 0.00 -4.79 0.43 0.13 -1.85 -3.44 132.00 131.59 3i4c h PRO 94 Ca -0.25 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.18 3i4c h PRO 94 Cb 1.08 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.02 3i4c h PRO 94 CO 1.01 0.00 -0.18 -1.17 -0.23 0.00 0.00 178.00 177.43 3i4c s LEU 95 N -5.11 5.02 -0.13 1.56 2.96 -1.26 -1.25 118.68 120.47 3i4c s LEU 95 Ca 0.06 -0.84 0.00 0.00 -0.22 0.00 0.00 54.13 53.14 3i4c s LEU 95 Cb 0.09 -2.36 0.02 0.00 0.50 0.00 0.00 46.19 44.44 3i4c s LEU 95 CO 0.54 -0.65 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.70 3i4c s GLN 96 N 2.15 1.97 0.54 1.98 -0.21 -0.05 -4.77 119.66 121.28 3i4c s GLN 96 Ca 0.11 -0.44 -0.17 0.00 0.02 0.00 0.00 55.36 54.89 3i4c s GLN 96 Cb -0.19 -1.85 -0.06 0.00 1.00 0.00 0.00 33.01 31.91 3i4c s GLN 96 CO 0.12 -0.22 1.02 0.20 -2.12 0.00 0.00 175.29 174.30 3i4c s GLY 97 N 1.47 2.14 0.48 3.09 0.00 -1.26 -0.12 107.32 113.14 3i4c s GLY 97 Ca 0.03 0.32 0.30 0.00 0.00 0.00 0.00 44.72 45.37 3i4c s GLY 97 CO -0.08 0.62 1.87 1.05 0.00 0.00 0.00 173.10 176.56 3i4c h GLU 98 N 0.80 0.00 0.00 2.90 -0.00 -1.91 -3.46 114.58 112.91 3i4c h GLU 98 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.89 3i4c h GLU 98 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 3i4c h GLU 98 CO 0.59 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 180.01 3i4c n GLY 99 N 0.32 3.02 0.07 1.06 0.00 -1.26 -4.91 105.19 103.49 3i4c n GLY 99 Ca 0.02 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 3i4c n GLY 99 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3i4c h ASN 100 N 0.00 0.00 -3.85 1.61 -1.24 -1.95 -3.36 115.58 106.79 3i4c h ASN 100 Ca 0.00 0.00 -0.46 0.00 0.71 0.00 0.00 56.30 56.55 3i4c h ASN 100 Cb 0.00 0.00 0.17 0.00 0.73 0.00 0.00 38.32 39.22 3i4c h ASN 100 CO 0.00 0.96 0.18 0.00 -1.29 0.00 0.00 177.43 177.28 3i4c h TYR 102 N -1.92 -0.08 -0.46 0.00 3.20 -1.98 -1.34 116.97 114.39 3i4c h TYR 102 Ca -0.53 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.31 3i4c h TYR 102 Cb 1.31 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.65 3i4c h TYR 102 CO 0.35 -0.10 0.07 1.88 -1.64 0.00 0.00 178.16 178.71 3i4c h TYR 103 N 0.07 0.74 -0.31 -3.82 0.05 -1.87 -1.36 116.97 110.47 3i4c h TYR 103 Ca 0.18 -0.07 -0.10 0.00 0.05 0.00 0.00 58.73 58.79 3i4c h TYR 103 Cb 0.27 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 3i4c h TYR 103 CO -0.29 0.66 -0.21 0.00 -1.05 0.00 0.00 178.16 177.27 3i4c h ARG 105 N 0.46 1.08 -0.11 0.00 3.08 -0.76 -2.36 114.38 115.76 3i4c h ARG 105 Ca 0.06 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3i4c h ARG 105 Cb 0.76 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3i4c h ARG 105 CO 0.06 0.78 0.00 0.44 -1.07 0.00 0.00 179.97 180.18 3i4c n ILE 106 N -4.36 0.14 -0.57 2.04 -5.35 -0.56 -4.91 119.36 105.79 3i4c n ILE 106 Ca 0.08 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 3i4c n ILE 106 Cb 0.09 0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.12 3i4c n ILE 106 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i4c n GLY 107 N 1.00 0.65 2.65 3.28 0.00 -0.89 -4.99 105.19 106.89 3i4c n GLY 107 Ca 0.15 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 3i4c n GLY 107 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i4c n GLU 108 N -2.57 3.38 0.34 1.61 -0.58 0.81 -4.90 120.64 118.73 3i4c n GLU 108 Ca 0.00 -4.62 0.21 0.00 -0.42 0.00 0.00 57.16 52.33 3i4c n GLU 108 Cb 0.00 -2.25 1.12 0.00 -0.57 0.00 0.00 31.44 29.74 3i4c n GLU 108 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 3i4c h GLU 109 N 2.74 0.00 0.00 3.49 4.11 -1.82 -0.09 114.58 123.00 3i4c h GLU 109 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.68 3i4c h GLU 109 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3i4c h GLU 109 CO 0.85 0.00 0.00 1.12 0.07 0.00 0.00 179.01 181.05 3i4c h HIS 110 N 0.00 0.00 -0.54 2.06 2.07 -1.86 -1.18 115.15 115.69 3i4c h HIS 110 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3i4c h HIS 110 Cb 0.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.16 3i4c h HIS 110 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3i4c n LEU 111 N -2.73 5.06 -4.56 6.12 4.77 -0.05 -4.96 117.00 120.66 3i4c n LEU 111 Ca 0.01 -2.76 -0.41 0.00 -0.03 0.00 0.00 56.01 52.82 3i4c n LEU 111 Cb 0.25 -0.62 0.02 0.00 -2.33 0.00 0.00 43.42 40.74 3i4c n LEU 111 CO 0.23 0.70 0.40 0.00 -1.33 0.00 0.00 177.39 177.39 3i4c h ASP 113 N 1.13 0.00 -1.90 0.00 3.32 -1.95 -3.36 116.42 113.66 3i4c h ASP 113 Ca -0.44 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.09 3i4c h ASP 113 Cb 1.36 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.55 3i4c h ASP 113 CO 0.54 0.41 -1.01 -1.20 -1.72 0.00 0.00 179.24 176.27 3i4c n SER 114 N -3.93 -0.38 -4.83 6.45 7.64 -1.26 -5.09 113.62 112.23 3i4c n SER 114 Ca -0.01 -2.66 -0.31 0.00 1.01 0.00 0.00 58.87 56.90 3i4c n SER 114 Cb 0.46 -0.34 0.05 0.00 -1.01 0.00 0.00 64.21 63.37 3i4c n SER 114 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3i4c s PRO 115 N -0.63 2.84 -0.35 1.43 0.04 -1.26 -4.12 135.00 132.95 3i4c s PRO 115 Ca 0.34 0.80 -0.07 0.00 0.04 0.00 0.00 61.00 62.10 3i4c s PRO 115 Cb 0.13 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.72 3i4c s PRO 115 CO -0.14 -1.13 0.13 0.50 0.04 0.00 0.00 177.00 176.40 3i4c s ARG 116 N -5.13 2.66 -0.33 4.56 6.06 0.84 -4.97 118.95 122.64 3i4c s ARG 116 Ca 0.58 -1.16 0.01 0.00 -2.50 0.00 0.00 55.73 52.67 3i4c s ARG 116 Cb -0.13 -3.52 0.09 0.00 0.06 0.00 0.00 34.95 31.44 3i4c s ARG 116 CO 0.54 -0.67 0.04 -0.46 -2.50 0.00 0.00 175.30 172.25 3i4c s TRP 117 N 1.44 3.54 0.19 5.12 -0.11 -1.26 -0.87 118.94 126.99 3i4c s TRP 117 Ca -0.01 -2.54 -0.32 0.00 1.22 0.00 0.00 56.10 54.45 3i4c s TRP 117 Cb -0.19 -2.65 -0.12 0.00 -1.50 0.00 0.00 33.47 29.01 3i4c s TRP 117 CO 0.04 -0.92 1.75 1.28 -4.62 0.00 0.00 176.95 174.48 3i4c n LEU 118 N 4.43 4.00 0.00 5.86 4.77 -0.38 -1.09 117.00 134.59 3i4c n LEU 118 Ca -0.04 1.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 3i4c n LEU 118 Cb 0.42 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 39.94 3i4c n LEU 118 CO 0.25 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3i4c n GLY 119 N 4.02 1.24 0.96 -0.72 0.00 0.16 -3.90 105.19 106.96 3i4c n GLY 119 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.18 3i4c n GLY 119 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i4c n ILE 120 N -2.00 0.89 -0.71 -0.61 2.08 -0.25 -3.86 119.36 114.90 3i4c n ILE 120 Ca 0.00 0.29 0.04 0.00 0.56 0.00 0.00 62.75 63.64 3i4c n ILE 120 Cb 0.00 -1.47 0.06 0.00 -0.75 0.00 0.00 39.64 37.48 3i4c n ILE 120 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 3i4c n ASN 121 N -3.26 1.79 -3.80 4.38 0.23 -0.48 -4.92 115.26 109.21 3i4c n ASN 121 Ca -0.01 -2.37 -0.12 0.00 -0.53 0.00 0.00 54.58 51.55 3i4c n ASN 121 Cb 0.03 -0.20 -0.09 0.00 -2.08 0.00 0.00 39.78 37.44 3i4c n ASN 121 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 3i4c s PHE 122 N -1.60 -0.12 0.16 -2.53 5.36 -1.08 -4.76 117.98 113.41 3i4c s PHE 122 Ca 0.13 0.20 -0.34 0.00 -0.96 0.00 0.00 56.93 55.96 3i4c s PHE 122 Cb 0.12 0.05 -0.14 0.00 -0.34 0.00 0.00 43.02 42.70 3i4c s PHE 122 CO 0.01 -0.32 1.53 -0.25 -1.46 0.00 0.00 175.22 174.73 3i4c n ASP 123 N 1.56 2.89 0.00 6.13 8.00 -1.26 0.38 116.55 134.25 3i4c n ASP 123 Ca -0.21 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.39 3i4c n ASP 123 Cb 0.56 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 3i4c n ASP 123 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i4c n GLY 124 N 3.14 2.23 0.55 0.44 0.00 0.49 -4.01 105.19 108.04 3i4c n GLY 124 Ca 0.16 -1.95 0.11 0.00 0.00 0.00 0.00 46.02 44.34 3i4c n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4c n ALA 125 N -3.00 2.52 -0.98 4.61 0.00 0.30 -4.48 120.51 119.48 3i4c n ALA 125 Ca 0.00 -0.52 -0.19 0.00 0.00 0.00 0.00 53.44 52.73 3i4c n ALA 125 Cb 0.00 -1.09 -0.11 0.00 0.00 0.00 0.00 19.45 18.26 3i4c n ALA 125 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i4c n TYR 126 N 0.32 0.77 -3.83 0.00 4.02 0.14 -4.71 117.16 113.87 3i4c n TYR 126 Ca 0.16 -1.85 -0.07 0.00 -0.01 0.00 0.00 57.90 56.13 3i4c n TYR 126 Cb 0.33 -1.75 0.01 0.00 -0.02 0.00 0.00 39.34 37.90 3i4c n TYR 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i4c s ALA 127 N 1.69 -1.08 0.03 -0.72 0.00 -1.26 -0.62 121.76 119.80 3i4c s ALA 127 Ca 0.60 -0.48 0.16 0.00 0.00 0.00 0.00 51.96 52.24 3i4c s ALA 127 Cb 0.24 0.73 0.35 0.00 0.00 0.00 0.00 23.12 24.44 3i4c s ALA 127 CO -0.02 -1.02 1.58 0.93 0.00 0.00 0.00 175.76 177.23 3i4c h GLU 128 N 2.00 0.00 -4.16 0.00 5.08 -1.80 -3.42 114.58 112.28 3i4c h GLU 128 Ca -0.27 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.92 3i4c h GLU 128 Cb 1.24 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.31 3i4c h GLU 128 CO 0.33 0.48 -0.70 0.71 -1.00 0.00 0.00 179.01 178.83 3i4c s TYR 129 N -3.26 0.42 -0.09 4.33 2.02 -1.26 -1.94 117.35 117.57 3i4c s TYR 129 Ca 0.02 -0.72 -0.13 0.00 -0.37 0.00 0.00 57.07 55.87 3i4c s TYR 129 Cb 0.09 -0.29 0.03 0.00 -0.40 0.00 0.00 41.96 41.39 3i4c s TYR 129 CO 0.72 -0.24 0.33 0.54 -1.57 0.00 0.00 175.55 175.33 3i4c s VAL 130 N -2.34 0.02 -0.13 0.71 0.11 -0.29 -4.90 120.40 113.57 3i4c s VAL 130 Ca -0.07 -0.15 -0.14 0.00 -2.93 0.00 0.00 61.98 58.69 3i4c s VAL 130 Cb -0.04 -0.52 -0.05 0.00 -1.53 0.00 0.00 36.38 34.25 3i4c s VAL 130 CO -0.04 -0.08 0.32 -0.63 -3.33 0.00 0.00 175.10 171.34 3i4c s ILE 131 N -0.30 5.26 -0.31 7.04 -1.09 -1.26 -0.39 121.20 130.15 3i4c s ILE 131 Ca -0.04 0.61 -0.09 0.00 -2.23 0.00 0.00 60.65 58.90 3i4c s ILE 131 Cb -0.03 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 3i4c s ILE 131 CO 0.02 0.43 0.13 -0.69 -1.23 0.00 0.00 174.94 173.60 3i4c s VAL 132 N 0.11 4.37 0.25 2.92 1.01 0.33 -4.96 120.40 124.43 3i4c s VAL 132 Ca 0.19 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 3i4c s VAL 132 Cb -0.14 -3.25 0.28 0.00 0.00 0.00 0.00 36.38 33.28 3i4c s VAL 132 CO 0.06 0.06 1.64 -0.65 0.00 0.00 0.00 175.10 176.21 3i4c h PRO 133 N 8.31 0.11 -3.99 2.72 0.11 -1.90 -1.54 132.00 135.81 3i4c h PRO 133 Ca -0.32 -0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.45 3i4c h PRO 133 Cb 1.14 -0.02 -0.31 0.00 0.11 0.00 0.00 31.00 31.91 3i4c h PRO 133 CO 0.61 0.07 -0.75 -1.58 -0.21 0.00 0.00 178.00 176.14 3i4c s HIS 134 N -6.10 0.42 0.09 0.65 2.46 -1.26 -3.12 115.29 108.44 3i4c s HIS 134 Ca -0.13 -0.07 0.30 0.00 0.47 0.00 0.00 55.06 55.63 3i4c s HIS 134 Cb 0.23 -0.38 1.60 0.00 -0.13 0.00 0.00 32.58 33.90 3i4c s HIS 134 CO 0.76 -0.08 1.92 0.10 -2.47 0.00 0.00 174.74 174.96 3i4c h TYR 135 N 6.70 0.00 0.00 3.88 -0.00 -1.55 -2.65 116.97 123.35 3i4c h TYR 135 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.38 3i4c h TYR 135 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.89 3i4c h TYR 135 CO 0.46 0.00 0.00 1.57 -0.00 0.00 0.00 178.16 180.19 3i4c h LYS 136 N 0.00 0.00 -0.20 0.10 2.10 -1.95 -2.72 116.57 113.89 3i4c h LYS 136 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i4c h LYS 136 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 3i4c h LYS 136 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 3i4c n TYR 137 N -2.44 0.26 -3.31 0.07 4.01 -1.00 -4.88 117.16 109.88 3i4c n TYR 137 Ca 0.01 -0.13 -0.18 0.00 -0.16 0.00 0.00 57.90 57.44 3i4c n TYR 137 Cb 0.22 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.24 3i4c n TYR 137 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 3i4c s MET 138 N -1.74 2.95 -0.09 -0.72 -1.94 -1.03 -0.41 119.30 116.33 3i4c s MET 138 Ca 0.24 -1.15 -0.03 0.00 -1.71 0.00 0.00 55.69 53.03 3i4c s MET 138 Cb 0.12 -2.75 0.05 0.00 2.01 0.00 0.00 34.83 34.26 3i4c s MET 138 CO 0.18 -0.08 0.15 -0.47 -0.01 0.00 0.00 175.02 174.78 3i4c s TYR 139 N -2.27 -0.14 0.08 -0.03 6.14 -0.58 -4.95 117.35 115.61 3i4c s TYR 139 Ca 0.49 0.52 -0.31 0.00 0.64 0.00 0.00 57.07 58.41 3i4c s TYR 139 Cb -0.09 -0.31 -0.07 0.00 0.42 0.00 0.00 41.96 41.90 3i4c s TYR 139 CO 0.31 -0.28 1.44 0.15 0.64 0.00 0.00 175.55 177.81 3i4c s LYS 140 N 2.27 4.28 0.03 4.97 1.02 -1.26 -1.62 119.74 129.43 3i4c s LYS 140 Ca 0.04 2.10 -0.19 0.00 0.02 0.00 0.00 55.97 57.93 3i4c s LYS 140 Cb -0.12 -3.38 -0.06 0.00 -0.52 0.00 0.00 37.83 33.75 3i4c s LYS 140 CO -0.06 -0.53 0.56 -0.51 -0.92 0.00 0.00 175.35 173.89 3i4c s LEU 141 N 1.68 4.47 0.00 3.17 1.43 0.50 -4.94 118.68 124.99 3i4c s LEU 141 Ca 0.66 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 3i4c s LEU 141 Cb -0.36 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 42.99 3i4c s LEU 141 CO 0.30 0.19 0.00 -1.14 0.23 0.00 0.00 176.35 175.93 3i4c n ARG 142 N 2.24 0.00 -0.07 1.70 3.00 -1.26 -4.66 116.66 117.61 3i4c n ARG 142 Ca -0.09 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.56 3i4c n ARG 142 Cb 0.51 -0.62 -0.13 0.00 0.00 0.00 0.00 32.46 32.23 3i4c n ARG 142 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3i4c n ARG 143 N -2.70 0.69 -3.20 -0.14 0.63 -1.26 -4.99 116.66 105.70 3i4c n ARG 143 Ca 0.00 0.21 -0.31 0.00 -0.92 0.00 0.00 57.85 56.83 3i4c n ARG 143 Cb 0.43 -1.60 -0.05 0.00 0.45 0.00 0.00 32.46 31.68 3i4c n ARG 143 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3i4c s LEU 144 N -6.80 4.05 0.51 6.15 1.43 -1.26 -5.09 118.68 117.66 3i4c s LEU 144 Ca -0.30 1.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.89 3i4c s LEU 144 Cb 0.08 -3.85 0.03 0.00 0.03 0.00 0.00 46.19 42.48 3i4c s LEU 144 CO 0.67 -0.20 0.71 0.54 0.23 0.00 0.00 176.35 178.29 3i4c s ASN 145 N -2.63 5.37 0.25 2.29 2.20 -1.26 -4.86 114.94 116.31 3i4c s ASN 145 Ca 0.50 -0.21 -0.03 0.00 -0.94 0.00 0.00 52.86 52.18 3i4c s ASN 145 Cb -0.11 -0.72 0.46 0.00 -2.00 0.00 0.00 41.25 38.89 3i4c s ASN 145 CO 0.24 -1.04 1.77 0.00 -2.94 0.00 0.00 177.10 175.13 3i4c h ALA 146 N 0.26 1.18 -0.63 3.54 0.00 -1.92 -2.03 119.26 119.66 3i4c h ALA 146 Ca -0.41 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 3i4c h ALA 146 Cb 1.29 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3i4c h ALA 146 CO 0.49 -0.06 0.13 0.28 0.00 0.00 0.00 179.25 180.08 3i4c h VAL 147 N 0.63 1.26 -0.10 0.00 2.07 -1.92 -1.59 116.25 116.59 3i4c h VAL 147 Ca 0.43 -0.97 -0.12 0.00 0.82 0.00 0.00 66.70 66.85 3i4c h VAL 147 Cb 0.55 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3i4c h VAL 147 CO -0.33 0.36 -0.46 -0.33 0.02 0.00 0.00 177.57 176.83 3i4c h GLU 148 N 0.94 0.25 0.16 1.57 5.08 -1.84 -3.32 114.58 117.42 3i4c h GLU 148 Ca 0.19 -0.13 -0.30 0.00 -1.00 0.00 0.00 59.36 58.12 3i4c h GLU 148 Cb 0.40 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.66 3i4c h GLU 148 CO 0.01 0.66 -1.39 0.00 -1.00 0.00 0.00 179.01 177.29 3i4c h ALA 149 N 1.32 0.06 -0.56 3.43 0.00 -1.19 -3.40 119.26 118.92 3i4c h ALA 149 Ca 0.01 -0.94 0.11 0.00 0.00 0.00 0.00 54.91 54.09 3i4c h ALA 149 Cb 0.90 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 3i4c h ALA 149 CO 0.07 0.94 -0.26 0.00 0.00 0.00 0.00 179.25 180.00 3i4c h ALA 150 N 0.43 0.13 0.00 0.00 0.00 -1.39 -0.33 119.26 118.10 3i4c h ALA 150 Ca -0.20 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3i4c h ALA 150 Cb 2.04 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 20.46 3i4c h ALA 150 CO 0.21 -0.58 -0.03 -1.35 0.00 0.00 0.00 179.25 177.50 3i4c h PRO 151 N -0.11 0.00 0.00 0.00 0.11 -1.77 -1.92 132.00 128.30 3i4c h PRO 151 Ca 0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.35 3i4c h PRO 151 Cb 0.51 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 3i4c h PRO 151 CO -0.64 0.03 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.05 3i4c h LEU 152 N 0.00 0.00 -0.25 2.35 4.07 -1.27 -0.98 115.31 119.24 3i4c h LEU 152 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3i4c h LEU 152 Cb 0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 3i4c h LEU 152 CO 0.00 0.07 0.00 0.35 -1.08 0.00 0.00 178.44 177.79 3i4c n THR 153 N -3.66 0.79 0.00 0.22 -2.24 -0.72 -1.67 114.28 107.00 3i4c n THR 153 Ca -0.02 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 3i4c n THR 153 Cb 0.18 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 3i4c n THR 153 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i4c h SER 155 N 0.00 0.24 0.29 0.00 0.02 -1.42 -1.33 113.55 111.34 3i4c h SER 155 Ca 0.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3i4c h SER 155 Cb 0.00 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3i4c h SER 155 CO 0.00 0.41 -0.14 1.23 -1.14 0.00 0.00 176.83 177.19 3i4c h GLY 156 N 0.78 -0.40 0.66 -3.77 0.00 -1.42 -0.82 103.07 98.10 3i4c h GLY 156 Ca 0.05 0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.56 3i4c h GLY 156 CO 0.02 -0.15 -0.08 -2.22 0.00 0.00 0.00 176.54 174.12 3i4c h ILE 157 N -0.65 0.77 -0.06 2.60 2.04 -1.23 -0.47 117.51 120.51 3i4c h ILE 157 Ca -0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.85 3i4c h ILE 157 Cb 0.46 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3i4c h ILE 157 CO 0.06 0.00 -0.13 0.74 0.00 0.00 0.00 178.15 178.83 3i4c h THR 158 N -0.08 0.67 -0.24 -0.27 2.02 -1.25 -1.72 112.91 112.04 3i4c h THR 158 Ca 0.07 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.15 3i4c h THR 158 Cb 0.18 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3i4c h THR 158 CO -0.16 0.00 -0.29 0.74 0.37 0.00 0.00 175.52 176.18 3i4c h THR 159 N -0.18 1.27 -0.66 3.16 2.02 -1.02 -1.59 112.91 115.91 3i4c h THR 159 Ca 0.07 -1.33 -0.05 0.00 0.77 0.00 0.00 66.41 65.86 3i4c h THR 159 Cb 0.27 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 3i4c h THR 159 CO -0.17 0.42 0.21 0.22 0.37 0.00 0.00 175.52 176.57 3i4c h TYR 160 N 0.41 1.07 -0.27 3.16 5.03 -0.84 -1.27 116.97 124.26 3i4c h TYR 160 Ca 0.06 -0.11 -0.14 0.00 2.58 0.00 0.00 58.73 61.12 3i4c h TYR 160 Cb 0.71 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 38.67 3i4c h TYR 160 CO 0.02 0.86 -0.39 -0.09 -1.32 0.00 0.00 178.16 177.24 3i4c h ARG 161 N 0.97 0.63 -0.72 1.82 2.43 -1.12 -2.21 114.38 116.16 3i4c h ARG 161 Ca 0.21 -0.32 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 3i4c h ARG 161 Cb 0.29 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 3i4c h ARG 161 CO -0.01 0.91 0.35 0.00 -1.51 0.00 0.00 179.97 179.72 3i4c h ALA 162 N 1.05 0.93 -0.45 2.80 0.00 -0.87 -0.17 119.26 122.56 3i4c h ALA 162 Ca 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3i4c h ALA 162 Cb 0.91 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3i4c h ALA 162 CO 0.08 0.49 0.12 0.28 0.00 0.00 0.00 179.25 180.22 3i4c h VAL 163 N 1.01 1.23 -0.90 0.00 2.07 -1.12 -2.36 116.25 116.19 3i4c h VAL 163 Ca 0.25 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 67.01 3i4c h VAL 163 Cb 0.11 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 3i4c h VAL 163 CO -0.03 0.28 0.59 0.03 0.02 0.00 0.00 177.57 178.45 3i4c h ARG 164 N 0.59 1.12 0.00 1.57 3.08 -0.92 -1.62 114.38 118.20 3i4c h ARG 164 Ca 0.14 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3i4c h ARG 164 Cb 0.30 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3i4c h ARG 164 CO -0.00 0.74 0.00 0.87 -1.07 0.00 0.00 179.97 180.51 3i4c h LYS 165 N 1.15 0.00 0.00 0.04 1.57 -0.59 -2.09 116.57 116.64 3i4c h LYS 165 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3i4c h LYS 165 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3i4c h LYS 165 CO -0.11 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.77 3i4c n ALA 166 N -2.08 1.80 -3.80 3.86 0.00 -0.61 -4.92 120.51 114.77 3i4c n ALA 166 Ca -0.01 0.01 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 3i4c n ALA 166 Cb 0.20 -1.35 0.02 0.00 0.00 0.00 0.00 19.45 18.32 3i4c n ALA 166 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i4c n SER 167 N -1.90 -2.80 -4.86 0.00 7.64 -0.79 -4.80 113.62 106.12 3i4c n SER 167 Ca 0.03 -1.00 -0.31 0.00 1.01 0.00 0.00 58.87 58.60 3i4c n SER 167 Cb 0.24 -3.29 -0.03 0.00 -1.01 0.00 0.00 64.21 60.12 3i4c n SER 167 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3i4c s LEU 168 N -6.71 3.65 0.27 -3.43 1.43 -1.26 -5.06 118.68 107.56 3i4c s LEU 168 Ca 0.23 1.42 -0.20 0.00 -1.03 0.00 0.00 54.13 54.55 3i4c s LEU 168 Cb -0.08 -4.35 0.02 0.00 0.03 0.00 0.00 46.19 41.81 3i4c s LEU 168 CO 0.87 -0.56 0.68 1.51 0.23 0.00 0.00 176.35 179.08 3i4c s ASP 169 N -3.22 -0.26 0.48 2.29 1.47 -1.26 -4.97 116.67 111.20 3i4c s ASP 169 Ca 0.56 -0.60 0.30 0.00 1.18 0.00 0.00 52.55 53.98 3i4c s ASP 169 Cb -0.10 0.70 1.61 0.00 -0.34 0.00 0.00 42.92 44.79 3i4c s ASP 169 CO 0.34 -1.30 1.89 -0.65 0.68 0.00 0.00 175.17 176.13 3i4c h PRO 170 N 2.03 0.00 -0.01 2.11 0.11 -1.73 -1.25 132.00 133.26 3i4c h PRO 170 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3i4c h PRO 170 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3i4c h PRO 170 CO 0.26 0.00 -0.19 0.25 -0.21 0.00 0.00 178.00 178.11 3i4c n THR 171 N -2.59 0.00 -3.82 -1.15 -2.24 -1.26 -4.76 114.28 98.46 3i4c n THR 171 Ca -0.02 -0.17 -0.22 0.00 -2.27 0.00 0.00 64.05 61.37 3i4c n THR 171 Cb 0.12 0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 68.79 3i4c n THR 171 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i4c s LYS 172 N -2.35 2.59 -0.03 -0.78 1.02 -0.47 -5.03 119.74 114.68 3i4c s LYS 172 Ca 0.28 -1.42 0.04 0.00 0.02 0.00 0.00 55.97 54.88 3i4c s LYS 172 Cb 0.20 -2.37 -0.00 0.00 -0.52 0.00 0.00 37.83 35.13 3i4c s LYS 172 CO 0.47 0.02 -0.13 0.99 -0.92 0.00 0.00 175.35 175.78 3i4c s THR 173 N -2.38 1.11 -0.01 2.17 2.01 -1.26 -1.50 115.64 115.77 3i4c s THR 173 Ca 0.42 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.91 3i4c s THR 173 Cb -0.04 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 3i4c s THR 173 CO 0.26 0.33 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.17 3i4c s LEU 174 N 0.01 2.85 -0.14 4.42 2.96 0.55 -0.96 118.68 128.37 3i4c s LEU 174 Ca -0.01 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3i4c s LEU 174 Cb -0.09 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 3i4c s LEU 174 CO 0.01 0.31 -0.12 -0.22 -1.32 0.00 0.00 176.35 175.01 3i4c s LEU 175 N -1.11 2.76 -0.24 -0.68 2.96 -0.30 -0.26 118.68 121.81 3i4c s LEU 175 Ca 0.14 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.68 3i4c s LEU 175 Cb -0.11 -1.63 -0.00 0.00 0.50 0.00 0.00 46.19 44.95 3i4c s LEU 175 CO 0.04 0.15 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.50 3i4c s VAL 176 N 0.47 3.47 0.25 1.68 1.01 -0.14 -1.32 120.40 125.81 3i4c s VAL 176 Ca -0.09 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.07 3i4c s VAL 176 Cb -0.16 -2.63 -0.09 0.00 0.00 0.00 0.00 36.38 33.50 3i4c s VAL 176 CO 0.04 0.34 0.89 -0.69 0.00 0.00 0.00 175.10 175.68 3i4c s VAL 177 N 1.48 4.22 -1.40 2.92 1.01 -0.92 -1.44 120.40 126.27 3i4c s VAL 177 Ca 0.05 1.85 -0.09 0.00 0.00 0.00 0.00 61.98 63.78 3i4c s VAL 177 Cb -0.15 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.12 3i4c s VAL 177 CO -0.02 0.36 1.10 0.61 0.00 0.00 0.00 175.10 177.15 3i4c n GLY 178 N 1.14 -0.51 0.09 4.51 0.00 -0.21 -4.57 105.19 105.63 3i4c n GLY 178 Ca -0.02 0.22 0.06 0.00 0.00 0.00 0.00 46.02 46.29 3i4c n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4c n ALA 179 N -4.83 1.07 1.08 4.61 0.00 -0.60 -1.79 120.51 120.05 3i4c n ALA 179 Ca -0.01 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.65 3i4c n ALA 179 Cb 0.56 -1.19 0.13 0.00 0.00 0.00 0.00 19.45 18.95 3i4c n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4c n GLY 180 N -1.28 -0.54 3.26 0.00 0.00 -1.26 -2.55 105.19 102.82 3i4c n GLY 180 Ca -0.01 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 3i4c n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4c n GLY 181 N 1.42 -1.12 0.23 -0.02 0.00 -0.74 -4.73 105.19 100.23 3i4c n GLY 181 Ca 0.09 -1.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.21 3i4c n GLY 181 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i4c h GLY 182 N -1.32 -0.45 1.05 -0.02 0.00 -1.93 -0.85 103.07 99.54 3i4c h GLY 182 Ca -0.35 0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 3i4c h GLY 182 CO 0.26 -0.19 -0.13 1.41 0.00 0.00 0.00 176.54 177.89 3i4c h LEU 183 N -0.45 0.93 -0.19 3.11 4.07 -1.94 -2.90 115.31 117.94 3i4c h LEU 183 Ca -0.02 -0.37 0.02 0.00 0.08 0.00 0.00 57.88 57.59 3i4c h LEU 183 Cb 0.39 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 3i4c h LEU 183 CO 0.01 1.08 0.07 1.23 -1.08 0.00 0.00 178.44 179.75 3i4c h GLY 184 N 0.76 0.23 1.73 0.83 0.00 -1.65 -0.15 103.07 104.83 3i4c h GLY 184 Ca 0.12 -0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 3i4c h GLY 184 CO 0.05 0.03 -0.17 -0.91 0.00 0.00 0.00 176.54 175.54 3i4c h THR 185 N 0.16 1.22 -0.14 4.70 1.35 -0.87 -0.86 112.91 118.47 3i4c h THR 185 Ca 0.08 -0.98 -0.00 0.00 -0.55 0.00 0.00 66.41 64.96 3i4c h THR 185 Cb 0.05 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 3i4c h THR 185 CO -0.08 0.31 0.07 -0.03 -0.25 0.00 0.00 175.52 175.53 3i4c h MET 186 N 0.30 0.20 -0.57 4.72 -1.53 -1.23 0.00 114.93 116.82 3i4c h MET 186 Ca 0.06 -0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 56.28 3i4c h MET 186 Cb 0.48 -0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.47 3i4c h MET 186 CO 0.03 0.23 0.33 0.00 0.14 0.00 0.00 176.91 177.64 3i4c h ALA 187 N 0.95 0.73 -0.09 0.39 0.00 -0.61 -0.11 119.26 120.53 3i4c h ALA 187 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i4c h ALA 187 Cb 0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3i4c h ALA 187 CO -0.01 0.24 0.06 0.28 0.00 0.00 0.00 179.25 179.82 3i4c h VAL 188 N 0.77 1.02 -0.65 0.00 2.07 -0.95 -0.70 116.25 117.81 3i4c h VAL 188 Ca 0.20 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 3i4c h VAL 188 Cb 0.02 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3i4c h VAL 188 CO -0.03 0.02 0.36 1.56 0.02 0.00 0.00 177.57 179.49 3i4c h GLN 189 N 0.12 0.91 -0.12 1.57 4.20 -0.69 -0.31 115.11 120.79 3i4c h GLN 189 Ca 0.03 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 3i4c h GLN 189 Cb -0.01 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.58 3i4c h GLN 189 CO -0.01 0.69 0.01 0.82 -0.67 0.00 0.00 178.83 179.68 3i4c h ILE 190 N 0.89 1.23 -1.00 2.54 2.04 -0.91 -1.09 117.51 121.21 3i4c h ILE 190 Ca 0.23 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.39 3i4c h ILE 190 Cb 0.05 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 3i4c h ILE 190 CO -0.04 0.21 0.66 0.00 0.00 0.00 0.00 178.15 178.98 3i4c h ALA 191 N 0.78 1.28 -0.39 1.87 0.00 -0.99 0.98 119.26 122.80 3i4c h ALA 191 Ca 0.03 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3i4c h ALA 191 Cb 0.31 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3i4c h ALA 191 CO 0.00 0.63 -0.23 -0.22 0.00 0.00 0.00 179.25 179.44 3i4c h LYS 192 N 1.34 0.77 0.00 0.00 3.64 -0.93 -2.39 116.57 119.00 3i4c h LYS 192 Ca 0.37 -0.31 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 3i4c h LYS 192 Cb -0.12 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3i4c h LYS 192 CO -0.09 0.93 -0.34 0.00 -2.27 0.00 0.00 179.45 177.68 3i4c h ALA 193 N 1.07 0.80 -0.00 5.00 0.00 -0.50 -3.40 119.26 122.24 3i4c h ALA 193 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3i4c h ALA 193 Cb 0.74 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3i4c h ALA 193 CO 0.06 0.35 -0.11 1.33 0.00 0.00 0.00 179.25 180.88 3i4c n VAL 194 N -3.14 0.00 0.00 0.00 0.24 0.28 -4.92 118.33 110.79 3i4c n VAL 194 Ca 0.02 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 3i4c n VAL 194 Cb 0.65 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 34.09 3i4c n VAL 194 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3i4c n SER 195 N -0.30 2.75 0.00 -1.34 3.41 -0.90 -5.02 113.62 112.21 3i4c n SER 195 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3i4c n SER 195 Cb 0.12 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 3i4c n SER 195 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i4c n GLY 196 N 2.06 0.82 3.82 5.00 0.00 -1.26 -3.63 105.19 112.01 3i4c n GLY 196 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3i4c n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4c s ALA 197 N -3.18 2.83 0.19 4.61 0.00 -1.25 -4.23 121.76 120.73 3i4c s ALA 197 Ca 0.00 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.94 3i4c s ALA 197 Cb 0.00 -3.19 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 3i4c s ALA 197 CO 0.00 -0.72 1.03 0.99 0.00 0.00 0.00 175.76 177.06 3i4c s THR 198 N -2.61 3.99 -0.15 0.00 2.01 -0.56 -4.91 115.64 113.42 3i4c s THR 198 Ca 0.61 1.81 0.01 0.00 0.31 0.00 0.00 61.69 64.43 3i4c s THR 198 Cb -0.14 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.22 3i4c s THR 198 CO 0.39 0.35 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.87 3i4c s ILE 199 N -0.56 2.49 -0.18 1.82 1.01 -1.26 -0.33 121.20 124.19 3i4c s ILE 199 Ca 0.46 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 3i4c s ILE 199 Cb -0.28 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 3i4c s ILE 199 CO 0.34 0.53 -0.08 -0.63 0.00 0.00 0.00 174.94 175.10 3i4c s ILE 200 N 0.78 3.27 -0.11 2.92 1.01 0.64 -0.60 121.20 129.11 3i4c s ILE 200 Ca -0.07 -0.55 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 3i4c s ILE 200 Cb -0.15 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 3i4c s ILE 200 CO 0.00 0.48 -0.04 -0.83 0.00 0.00 0.00 174.94 174.55 3i4c s GLY 201 N 0.89 1.74 -0.01 6.18 0.00 0.41 -0.97 107.32 115.56 3i4c s GLY 201 Ca -0.02 -0.84 0.07 0.00 0.00 0.00 0.00 44.72 43.93 3i4c s GLY 201 CO 0.01 -0.36 -0.22 0.54 0.00 0.00 0.00 173.10 173.06 3i4c s VAL 202 N -0.27 1.72 0.24 1.40 0.11 -0.52 -0.87 120.40 122.21 3i4c s VAL 202 Ca 0.05 -0.96 -0.03 0.00 -2.93 0.00 0.00 61.98 58.10 3i4c s VAL 202 Cb -0.13 -1.44 0.01 0.00 -1.53 0.00 0.00 36.38 33.30 3i4c s VAL 202 CO 0.02 0.46 0.37 -0.67 -3.33 0.00 0.00 175.10 171.95 3i4c n ASP 203 N 2.46 -1.06 -0.19 3.54 -0.08 -0.59 -1.05 116.55 119.59 3i4c n ASP 203 Ca -0.16 -2.21 0.02 0.00 -1.51 0.00 0.00 54.79 50.93 3i4c n ASP 203 Cb 0.53 1.90 0.04 0.00 2.34 0.00 0.00 41.12 45.92 3i4c n ASP 203 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 3i4c n VAL 204 N -0.38 0.79 -3.98 5.18 0.24 -1.26 -1.02 118.33 117.90 3i4c n VAL 204 Ca -0.01 -0.89 -0.09 0.00 -2.04 0.00 0.00 64.34 61.30 3i4c n VAL 204 Cb 0.39 0.62 -0.11 0.00 -1.47 0.00 0.00 33.84 33.27 3i4c n VAL 204 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3i4c s ARG 205 N -0.85 0.34 0.20 7.34 0.52 -1.26 -4.44 118.95 120.80 3i4c s ARG 205 Ca 0.07 -0.64 -0.11 0.00 -0.52 0.00 0.00 55.73 54.53 3i4c s ARG 205 Cb 0.04 0.12 0.25 0.00 0.52 0.00 0.00 34.95 35.88 3i4c s ARG 205 CO 0.05 -0.06 1.73 0.93 0.02 0.00 0.00 175.30 177.97 3i4c h GLU 206 N 4.52 0.31 -0.47 3.54 5.08 -1.99 -0.22 114.58 125.36 3i4c h GLU 206 Ca -0.32 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 57.98 3i4c h GLU 206 Cb 1.20 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3i4c h GLU 206 CO 0.43 0.21 0.13 0.93 -1.00 0.00 0.00 179.01 179.70 3i4c h GLU 207 N 0.32 0.74 -0.33 2.33 5.08 -1.99 -1.25 114.58 119.49 3i4c h GLU 207 Ca 0.29 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3i4c h GLU 207 Cb 0.38 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3i4c h GLU 207 CO -0.33 0.71 0.16 0.00 -1.00 0.00 0.00 179.01 178.55 3i4c h ALA 208 N 0.99 0.42 -0.75 3.43 0.00 -1.80 -0.47 119.26 121.08 3i4c h ALA 208 Ca 0.15 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3i4c h ALA 208 Cb 0.30 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3i4c h ALA 208 CO -0.00 -0.01 0.49 0.28 0.00 0.00 0.00 179.25 180.01 3i4c h VAL 209 N 0.40 0.97 -0.40 0.00 2.07 -0.87 -0.95 116.25 117.47 3i4c h VAL 209 Ca 0.11 -0.24 -0.13 0.00 0.82 0.00 0.00 66.70 67.26 3i4c h VAL 209 Cb 0.12 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3i4c h VAL 209 CO -0.01 0.13 -0.26 -0.08 0.02 0.00 0.00 177.57 177.36 3i4c h GLU 210 N 0.71 0.88 -0.83 1.57 4.57 -0.45 -2.50 114.58 118.53 3i4c h GLU 210 Ca 0.34 -0.41 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 3i4c h GLU 210 Cb 0.39 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.94 3i4c h GLU 210 CO -0.12 1.06 0.46 0.00 -1.18 0.00 0.00 179.01 179.23 3i4c h ALA 211 N 0.80 1.25 -0.48 2.92 0.00 0.13 -1.47 119.26 122.41 3i4c h ALA 211 Ca 0.08 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3i4c h ALA 211 Cb 0.84 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3i4c h ALA 211 CO 0.07 0.61 0.04 0.00 0.00 0.00 0.00 179.25 179.98 3i4c h ALA 212 N 1.35 1.19 -0.18 0.00 0.00 -1.09 -0.89 119.26 119.63 3i4c h ALA 212 Ca 0.29 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3i4c h ALA 212 Cb 0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3i4c h ALA 212 CO -0.05 0.54 -0.08 -0.22 0.00 0.00 0.00 179.25 179.44 3i4c h LYS 213 N 0.72 0.38 0.00 0.00 1.63 -0.92 -2.36 116.57 116.02 3i4c h LYS 213 Ca 0.15 -0.16 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 3i4c h LYS 213 Cb 0.38 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.99 3i4c h LYS 213 CO 0.01 0.67 -0.12 0.00 -3.45 0.00 0.00 179.45 176.57 3i4c h ARG 214 N 0.07 0.00 0.00 1.90 3.08 -1.04 -1.32 114.38 117.08 3i4c h ARG 214 Ca 0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 3i4c h ARG 214 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3i4c h ARG 214 CO 0.03 0.12 -0.20 0.00 -1.07 0.00 0.00 179.97 178.85 3i4c h ALA 215 N 1.88 1.06 0.00 0.04 0.00 -0.88 -3.46 119.26 117.90 3i4c h ALA 215 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i4c h ALA 215 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3i4c h ALA 215 CO 0.02 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.92 3i4c n GLY 216 N -0.01 0.34 3.75 0.00 0.00 -0.50 -3.94 105.19 104.83 3i4c n GLY 216 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i4c n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4c n ALA 217 N 0.00 2.42 0.10 4.61 0.00 -0.91 -4.89 120.51 121.84 3i4c n ALA 217 Ca 0.00 0.36 -0.04 0.00 0.00 0.00 0.00 53.44 53.76 3i4c n ALA 217 Cb 0.00 -2.44 0.05 0.00 0.00 0.00 0.00 19.45 17.06 3i4c n ALA 217 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3i4c h ASP 218 N 4.20 0.04 -4.48 0.00 3.32 -1.21 -3.45 116.42 114.85 3i4c h ASP 218 Ca -0.48 -0.03 -0.18 0.00 0.02 0.00 0.00 57.03 56.36 3i4c h ASP 218 Cb 1.23 -0.01 -0.23 0.00 0.22 0.00 0.00 39.33 40.54 3i4c h ASP 218 CO 0.75 0.80 -0.62 -0.31 -1.72 0.00 0.00 179.24 178.14 3i4c s TYR 219 N -3.26 0.06 0.08 4.55 2.02 -0.75 -5.02 117.35 115.03 3i4c s TYR 219 Ca -0.01 -0.13 0.06 0.00 -0.37 0.00 0.00 57.07 56.62 3i4c s TYR 219 Cb 0.11 -0.06 -0.03 0.00 -0.40 0.00 0.00 41.96 41.58 3i4c s TYR 219 CO 0.79 -0.15 -0.16 0.14 -1.57 0.00 0.00 175.55 174.60 3i4c s VAL 220 N -0.83 1.27 -0.05 0.71 -7.23 -1.26 -0.44 120.40 112.56 3i4c s VAL 220 Ca -0.09 -1.35 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 3i4c s VAL 220 Cb -0.06 -1.19 0.02 0.00 0.56 0.00 0.00 36.38 35.71 3i4c s VAL 220 CO 0.00 -0.16 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.92 3i4c s ILE 221 N -1.21 0.78 -0.56 -0.62 1.01 -0.05 -4.93 121.20 115.61 3i4c s ILE 221 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 60.65 60.22 3i4c s ILE 221 Cb -0.10 -0.76 0.13 0.00 0.01 0.00 0.00 42.46 41.74 3i4c s ILE 221 CO 0.03 0.28 0.56 0.21 0.00 0.00 0.00 174.94 176.02 3i4c s ASN 222 N 0.83 6.21 0.00 3.58 3.84 -1.26 -1.54 114.94 126.60 3i4c s ASN 222 Ca -0.12 -1.73 0.06 0.00 0.21 0.00 0.00 52.86 51.27 3i4c s ASN 222 Cb -0.15 -2.23 0.26 0.00 -0.55 0.00 0.00 41.25 38.58 3i4c s ASN 222 CO 0.01 -0.91 1.16 0.00 -2.79 0.00 0.00 177.10 174.57 3i4c n ALA 223 N 5.48 1.30 0.13 1.71 0.00 -0.19 -1.41 120.51 127.54 3i4c n ALA 223 Ca -0.12 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.39 3i4c n ALA 223 Cb 0.41 -1.09 0.04 0.00 0.00 0.00 0.00 19.45 18.81 3i4c n ALA 223 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3i4c h SER 224 N 0.00 0.00 0.00 0.00 0.02 -1.78 -3.39 113.55 108.40 3i4c h SER 224 Ca 0.00 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.56 3i4c h SER 224 Cb 0.09 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.57 3i4c h SER 224 CO 0.00 0.13 -2.33 0.23 -1.14 0.00 0.00 176.83 173.72 3i4c n MET 225 N -2.90 0.53 -4.29 3.45 2.81 -0.52 -5.02 117.12 111.18 3i4c n MET 225 Ca 0.00 0.20 -0.28 0.00 -1.81 0.00 0.00 57.70 55.81 3i4c n MET 225 Cb 0.60 -1.38 -0.10 0.00 -0.71 0.00 0.00 33.22 31.63 3i4c n MET 225 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3i4c s GLN 226 N -2.44 1.98 -0.12 0.03 1.11 -0.50 -5.07 119.66 114.64 3i4c s GLN 226 Ca -0.33 -1.22 -0.29 0.00 0.01 0.00 0.00 55.36 53.53 3i4c s GLN 226 Cb 0.12 -2.16 -0.04 0.00 -1.01 0.00 0.00 33.01 29.92 3i4c s GLN 226 CO 0.45 0.46 1.63 0.34 0.01 0.00 0.00 175.29 178.18 3i4c s ASP 227 N -2.56 6.57 0.21 5.90 2.15 -1.26 -4.20 116.67 123.48 3i4c s ASP 227 Ca 0.22 2.00 -0.09 0.00 0.43 0.00 0.00 52.55 55.12 3i4c s ASP 227 Cb -0.10 -2.53 0.16 0.00 -0.30 0.00 0.00 42.92 40.15 3i4c s ASP 227 CO 0.13 -1.04 1.80 1.55 -0.17 0.00 0.00 175.17 177.44 3i4c h PRO 228 N 9.96 1.14 -0.47 4.34 0.13 -1.89 -2.13 132.00 143.07 3i4c h PRO 228 Ca -0.37 -0.17 -0.05 0.00 -0.87 0.00 0.00 66.00 64.54 3i4c h PRO 228 Cb 1.17 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 32.07 3i4c h PRO 228 CO 0.97 0.88 0.09 -0.07 -0.23 0.00 0.00 178.00 179.64 3i4c h LEU 229 N 1.11 0.66 -0.20 1.56 3.38 -1.97 0.15 115.31 120.00 3i4c h LEU 229 Ca 0.27 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3i4c h LEU 229 Cb 0.13 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3i4c h LEU 229 CO -0.03 0.68 -0.11 0.00 0.09 0.00 0.00 178.44 179.06 3i4c h ALA 230 N 1.41 0.29 -0.70 1.53 0.00 -1.91 -1.43 119.26 118.45 3i4c h ALA 230 Ca 0.15 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3i4c h ALA 230 Cb 0.29 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3i4c h ALA 230 CO 0.00 0.13 0.26 0.93 0.00 0.00 0.00 179.25 180.57 3i4c h GLU 231 N 0.13 1.05 -0.84 0.00 4.39 -1.12 -0.81 114.58 117.38 3i4c h GLU 231 Ca 0.04 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 3i4c h GLU 231 Cb 0.61 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 3i4c h GLU 231 CO 0.03 0.89 0.52 0.82 -1.16 0.00 0.00 179.01 180.11 3i4c h ILE 232 N 1.00 1.23 -0.62 3.13 2.04 -0.90 -0.15 117.51 123.24 3i4c h ILE 232 Ca 0.23 -0.48 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 3i4c h ILE 232 Cb 0.24 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 3i4c h ILE 232 CO -0.01 0.24 0.04 0.03 0.00 0.00 0.00 178.15 178.44 3i4c h ARG 233 N 1.15 1.06 0.10 2.37 2.47 -0.82 -1.08 114.38 119.64 3i4c h ARG 233 Ca 0.30 -0.31 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 3i4c h ARG 233 Cb -0.07 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.14 3i4c h ARG 233 CO -0.06 1.02 -0.05 -0.09 0.56 0.00 0.00 179.97 181.35 3i4c h ARG 234 N 0.98 -0.14 -0.70 0.04 2.43 -0.46 0.90 114.38 117.44 3i4c h ARG 234 Ca 0.18 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.41 3i4c h ARG 234 Cb 0.51 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.04 3i4c h ARG 234 CO 0.02 -0.01 0.42 0.82 -1.51 0.00 0.00 179.97 179.71 3i4c h ILE 235 N -0.23 1.03 -0.33 1.20 2.04 -0.93 -2.07 117.51 118.22 3i4c h ILE 235 Ca -0.01 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3i4c h ILE 235 Cb 0.19 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 3i4c h ILE 235 CO 0.02 0.14 0.00 0.35 0.00 0.00 0.00 178.15 178.67 3i4c n THR 236 N -4.72 0.61 -3.78 -0.27 -2.24 -0.42 -4.91 114.28 98.55 3i4c n THR 236 Ca 0.08 -0.50 -0.25 0.00 -2.27 0.00 0.00 64.05 61.12 3i4c n THR 236 Cb 0.14 0.12 0.03 0.00 -2.10 0.00 0.00 70.33 68.52 3i4c n THR 236 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i4c n GLU 237 N 0.48 -5.15 -0.77 -0.78 1.02 -0.20 -1.75 120.64 113.50 3i4c n GLU 237 Ca 0.12 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 3i4c n GLU 237 Cb 0.36 -5.28 0.00 0.00 -0.02 0.00 0.00 31.44 26.50 3i4c n GLU 237 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3i4c n SER 238 N -2.98 0.00 0.08 1.62 7.64 0.30 -4.87 113.62 115.41 3i4c n SER 238 Ca -0.18 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.57 3i4c n SER 238 Cb 0.62 -0.99 -0.07 0.00 -1.01 0.00 0.00 64.21 62.76 3i4c n SER 238 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3i4c h LYS 239 N 1.77 0.32 0.00 1.43 3.64 -1.57 -3.49 116.57 118.66 3i4c h LYS 239 Ca 0.00 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3i4c h LYS 239 Cb 0.00 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3i4c h LYS 239 CO 0.00 1.12 0.00 0.41 -2.27 0.00 0.00 179.45 178.71 3i4c n GLY 240 N 1.14 0.38 3.89 5.01 0.00 -1.26 -3.93 105.19 110.42 3i4c n GLY 240 Ca -0.07 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 43.66 3i4c n GLY 240 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i4c s VAL 241 N -1.37 5.12 -0.95 1.61 -7.23 0.26 -4.45 120.40 113.38 3i4c s VAL 241 Ca 0.00 0.11 0.28 0.00 -1.81 0.00 0.00 61.98 60.56 3i4c s VAL 241 Cb 0.00 -3.63 0.22 0.00 0.56 0.00 0.00 36.38 33.53 3i4c s VAL 241 CO 0.00 -0.00 1.85 0.47 -0.31 0.00 0.00 175.10 177.11 3i4c n ASP 242 N -0.02 0.18 -3.55 4.85 8.00 -0.13 0.01 116.55 125.88 3i4c n ASP 242 Ca -0.02 0.44 -0.15 0.00 0.71 0.00 0.00 54.79 55.78 3i4c n ASP 242 Cb 0.52 -0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 41.09 3i4c n ASP 242 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i4c s ALA 243 N -3.02 -1.84 -0.05 2.24 0.00 -1.19 -1.50 121.76 116.40 3i4c s ALA 243 Ca 0.13 1.49 0.03 0.00 0.00 0.00 0.00 51.96 53.61 3i4c s ALA 243 Cb 0.18 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.91 3i4c s ALA 243 CO 0.56 -0.34 -0.12 0.08 0.00 0.00 0.00 175.76 175.93 3i4c s VAL 244 N -1.00 1.10 -0.27 0.00 1.01 -0.17 -1.15 120.40 119.93 3i4c s VAL 244 Ca -0.06 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 3i4c s VAL 244 Cb -0.01 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.42 3i4c s VAL 244 CO 0.06 0.34 -0.03 -0.63 0.00 0.00 0.00 175.10 174.84 3i4c s ILE 245 N 0.39 3.05 -0.58 2.22 1.01 -0.44 0.31 121.20 127.17 3i4c s ILE 245 Ca -0.09 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.49 3i4c s ILE 245 Cb -0.13 -2.60 0.15 0.00 0.01 0.00 0.00 42.46 39.90 3i4c s ILE 245 CO 0.02 0.12 0.38 -0.62 0.00 0.00 0.00 174.94 174.84 3i4c s ASP 246 N 1.33 5.05 -0.12 3.58 -1.08 0.38 -2.17 116.67 123.65 3i4c s ASP 246 Ca -0.01 -2.80 -0.25 0.00 -0.52 0.00 0.00 52.55 48.98 3i4c s ASP 246 Cb -0.17 -1.81 -0.03 0.00 -1.46 0.00 0.00 42.92 39.46 3i4c s ASP 246 CO -0.03 -0.36 0.78 -0.76 0.52 0.00 0.00 175.17 175.32 3i4c s LEU 247 N 0.01 4.24 -1.03 -1.34 1.43 -1.26 -1.40 118.68 119.34 3i4c s LEU 247 Ca 0.16 1.19 -0.05 0.00 -1.03 0.00 0.00 54.13 54.40 3i4c s LEU 247 Cb -0.21 -3.17 -0.06 0.00 0.03 0.00 0.00 46.19 42.77 3i4c s LEU 247 CO -0.03 -0.27 0.89 -3.20 0.23 0.00 0.00 176.35 173.98 3i4c n ASN 248 N 4.55 -6.06 -4.58 2.29 2.85 0.26 -4.96 115.26 109.62 3i4c n ASN 248 Ca 0.02 -0.68 -0.30 0.00 -0.11 0.00 0.00 54.58 53.52 3i4c n ASN 248 Cb 0.50 -5.04 0.21 0.00 1.24 0.00 0.00 39.78 36.69 3i4c n ASN 248 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 3i4c s TYR 249 N -3.37 1.52 0.29 1.20 -0.85 -1.20 -5.04 117.35 109.89 3i4c s TYR 249 Ca 0.40 1.47 0.02 0.00 -0.52 0.00 0.00 57.07 58.44 3i4c s TYR 249 Cb -0.05 -3.21 -0.02 0.00 0.38 0.00 0.00 41.96 39.05 3i4c s TYR 249 CO 0.71 -3.32 0.29 -1.54 -1.52 0.00 0.00 175.55 170.17 3i4c s SER 250 N -2.63 0.97 0.35 -0.18 1.04 -1.26 -4.67 113.70 107.32 3i4c s SER 250 Ca 0.67 -1.54 0.04 0.00 0.48 0.00 0.00 55.95 55.60 3i4c s SER 250 Cb -0.24 0.53 0.67 0.00 0.10 0.00 0.00 66.02 67.09 3i4c s SER 250 CO 0.61 -1.06 1.96 -0.08 0.98 0.00 0.00 173.24 175.66 3i4c h GLU 251 N 2.27 0.81 -0.05 4.02 4.81 -1.94 -2.58 114.58 121.93 3i4c h GLU 251 Ca -0.29 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.86 3i4c h GLU 251 Cb 1.24 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 3i4c h GLU 251 CO 0.41 0.54 -0.08 0.87 -0.73 0.00 0.00 179.01 180.02 3i4c h LYS 252 N 0.84 0.15 -0.55 1.92 1.79 -1.99 -2.87 116.57 115.86 3i4c h LYS 252 Ca 0.30 -0.09 0.03 0.00 -2.18 0.00 0.00 60.65 58.71 3i4c h LYS 252 Cb 0.15 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 3i4c h LYS 252 CO -0.10 0.65 0.32 1.79 -1.08 0.00 0.00 179.45 181.04 3i4c h THR 253 N -0.34 1.04 0.00 -0.16 1.35 -1.92 -1.80 112.91 111.08 3i4c h THR 253 Ca 0.00 -0.22 -0.03 0.00 -0.55 0.00 0.00 66.41 65.61 3i4c h THR 253 Cb 0.64 0.35 -0.00 0.00 -1.73 0.00 0.00 68.15 67.41 3i4c h THR 253 CO 0.02 0.12 -0.16 -0.07 -0.25 0.00 0.00 175.52 175.18 3i4c h LEU 254 N 0.63 0.00 0.00 3.87 3.38 -1.54 -1.30 115.31 120.35 3i4c h LEU 254 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3i4c h LEU 254 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3i4c h LEU 254 CO -0.11 0.16 -0.55 0.77 0.09 0.00 0.00 178.44 178.80 3i4c h SER 255 N 0.00 0.00 0.00 -0.43 4.64 -1.13 -3.40 113.55 113.23 3i4c h SER 255 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3i4c h SER 255 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3i4c h SER 255 CO 0.02 0.01 -0.71 0.52 -0.87 0.00 0.00 176.83 175.80 3i4c n VAL 256 N -2.75 1.33 0.30 0.95 0.31 -0.75 -4.78 118.33 112.93 3i4c n VAL 256 Ca 0.02 0.22 0.15 0.00 -0.01 0.00 0.00 64.34 64.72 3i4c n VAL 256 Cb 0.53 -2.11 0.91 0.00 -0.91 0.00 0.00 33.84 32.25 3i4c n VAL 256 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3i4c h TYR 257 N -0.71 0.00 0.00 3.52 -1.99 -1.51 -1.84 116.97 114.45 3i4c h TYR 257 Ca 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 3i4c h TYR 257 Cb 0.71 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.44 3i4c h TYR 257 CO -0.31 0.01 -0.01 -1.35 -0.00 0.00 0.00 178.16 176.50 3i4c h PRO 258 N 0.00 0.00 0.00 4.88 0.11 -1.78 0.35 132.00 135.56 3i4c h PRO 258 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3i4c h PRO 258 Cb 0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3i4c h PRO 258 CO 0.00 0.01 0.00 1.63 -0.21 0.00 0.00 178.00 179.43 3i4c n LYS 259 N -3.16 0.16 0.00 1.05 5.02 -0.69 -2.22 118.16 118.32 3i4c n LYS 259 Ca -0.02 0.41 0.13 0.00 -2.02 0.00 0.00 58.31 56.80 3i4c n LYS 259 Cb 0.14 -1.82 0.38 0.00 -0.02 0.00 0.00 35.03 33.71 3i4c n LYS 259 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i4c n ALA 260 N -1.73 3.18 -1.88 7.82 0.00 0.11 -4.93 120.51 123.07 3i4c n ALA 260 Ca 0.02 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 3i4c n ALA 260 Cb 0.21 -1.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 3i4c n ALA 260 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i4c s LEU 261 N -2.77 4.41 0.81 0.00 1.43 -0.94 -0.58 118.68 121.04 3i4c s LEU 261 Ca 0.18 2.60 -0.10 0.00 -1.03 0.00 0.00 54.13 55.77 3i4c s LEU 261 Cb 0.19 -3.63 0.11 0.00 0.03 0.00 0.00 46.19 42.89 3i4c s LEU 261 CO 0.59 -0.60 1.15 0.00 0.23 0.00 0.00 176.35 177.72 3i4c s ALA 262 N -0.29 2.80 0.42 4.21 0.00 0.10 -4.67 121.76 124.33 3i4c s ALA 262 Ca 0.56 -1.01 -0.26 0.00 0.00 0.00 0.00 51.96 51.24 3i4c s ALA 262 Cb -0.40 -2.69 -0.09 0.00 0.00 0.00 0.00 23.12 19.94 3i4c s ALA 262 CO 0.44 -1.76 1.40 0.15 0.00 0.00 0.00 175.76 176.00 3i4c s LYS 263 N -5.52 3.86 0.00 0.00 1.02 -1.26 -0.98 119.74 116.85 3i4c s LYS 263 Ca 0.65 2.37 0.00 0.00 0.02 0.00 0.00 55.97 59.02 3i4c s LYS 263 Cb -0.08 -2.76 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 3i4c s LYS 263 CO 0.48 -0.66 0.00 1.04 -0.92 0.00 0.00 175.35 175.29 3i4c n GLN 264 N 0.05 -1.14 -2.04 1.68 6.02 0.23 -4.96 117.38 117.21 3i4c n GLN 264 Ca 0.04 0.28 -0.37 0.00 -0.01 0.00 0.00 57.00 56.94 3i4c n GLN 264 Cb 0.42 -4.14 0.02 0.00 1.02 0.00 0.00 30.24 27.56 3i4c n GLN 264 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3i4c s GLY 265 N -2.00 2.78 -0.21 1.08 0.00 -0.16 -4.75 107.32 104.07 3i4c s GLY 265 Ca 0.00 1.05 -0.03 0.00 0.00 0.00 0.00 44.72 45.74 3i4c s GLY 265 CO 0.00 1.49 -0.06 0.54 0.00 0.00 0.00 173.10 175.07 3i4c s LYS 266 N -3.05 3.37 -0.50 2.90 1.02 -0.57 -1.12 119.74 121.79 3i4c s LYS 266 Ca 0.72 -0.63 -0.16 0.00 0.02 0.00 0.00 55.97 55.91 3i4c s LYS 266 Cb -0.32 -2.96 0.09 0.00 -0.52 0.00 0.00 37.83 34.12 3i4c s LYS 266 CO 0.36 -0.15 0.47 -0.47 -0.92 0.00 0.00 175.35 174.65 3i4c s TYR 267 N 1.33 3.20 -0.45 3.18 6.14 0.14 -1.00 117.35 129.90 3i4c s TYR 267 Ca 0.04 -0.96 -0.21 0.00 0.64 0.00 0.00 57.07 56.58 3i4c s TYR 267 Cb -0.14 -3.42 0.03 0.00 0.42 0.00 0.00 41.96 38.84 3i4c s TYR 267 CO -0.03 -0.91 0.65 0.08 0.64 0.00 0.00 175.55 175.98 3i4c s VAL 268 N 1.83 4.82 -0.16 3.14 1.01 0.15 -0.78 120.40 130.41 3i4c s VAL 268 Ca 0.06 0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 3i4c s VAL 268 Cb -0.25 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 3i4c s VAL 268 CO 0.06 -0.65 0.14 -0.04 0.00 0.00 0.00 175.10 174.62 3i4c s MET 269 N 2.83 3.87 -0.03 2.72 1.00 -0.13 -0.47 119.30 129.08 3i4c s MET 269 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 55.69 55.75 3i4c s MET 269 Cb -0.15 -3.32 0.03 0.00 0.00 0.00 0.00 34.83 31.39 3i4c s MET 269 CO 0.18 0.51 -0.01 0.08 0.00 0.00 0.00 175.02 175.78 3i4c s VAL 270 N -0.25 0.24 -5.00 -6.03 1.01 -0.49 -1.92 120.40 107.95 3i4c s VAL 270 Ca 0.11 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.16 3i4c s VAL 270 Cb -0.12 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 35.93 3i4c s VAL 270 CO 0.01 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.89 3i4c n GLY 271 N 4.21 0.33 0.30 4.51 0.00 -1.26 0.93 105.19 114.21 3i4c n GLY 271 Ca -0.24 -1.78 0.01 0.00 0.00 0.00 0.00 46.02 44.00 3i4c n GLY 271 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i4c n LEU 272 N 0.00 0.30 -4.77 0.99 4.77 -1.26 -4.99 117.00 112.04 3i4c n LEU 272 Ca 0.00 -0.95 -0.39 0.00 -0.03 0.00 0.00 56.01 54.64 3i4c n LEU 272 Cb 0.00 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3i4c n LEU 272 CO 0.00 0.23 0.97 0.12 -1.33 0.00 0.00 177.39 177.38 3i4c s PHE 273 N -0.30 2.80 -1.13 -1.77 5.36 -1.26 -4.88 117.98 116.80 3i4c s PHE 273 Ca 0.03 1.40 -0.22 0.00 -0.96 0.00 0.00 56.93 57.18 3i4c s PHE 273 Cb 0.03 -3.68 -0.02 0.00 -0.34 0.00 0.00 43.02 39.00 3i4c s PHE 273 CO 0.00 -2.13 1.83 0.20 -1.46 0.00 0.00 175.22 173.66 3i4c s GLY 274 N -0.72 0.67 0.05 13.12 0.00 -1.26 -4.87 107.32 114.30 3i4c s GLY 274 Ca 0.57 -2.21 -0.04 0.00 0.00 0.00 0.00 44.72 43.04 3i4c s GLY 274 CO 0.49 3.23 0.05 0.00 0.00 0.00 0.00 173.10 176.87 3i4c s ALA 275 N 8.41 0.18 0.09 3.20 0.00 -1.26 -4.96 121.76 127.41 3i4c s ALA 275 Ca 0.62 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.78 3i4c s ALA 275 Cb -0.01 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 3i4c s ALA 275 CO 0.06 -0.37 -0.09 -0.51 0.00 0.00 0.00 175.76 174.85 3i4c s ASP 276 N -2.60 4.46 -0.09 0.00 1.01 -1.26 -5.07 116.67 113.12 3i4c s ASP 276 Ca 0.02 -0.34 -0.22 0.00 0.71 0.00 0.00 52.55 52.72 3i4c s ASP 276 Cb 0.04 -0.89 -0.04 0.00 1.01 0.00 0.00 42.92 43.04 3i4c s ASP 276 CO -0.08 0.19 0.65 -0.22 0.21 0.00 0.00 175.17 175.92 3i4c s LEU 277 N -2.11 4.29 -0.15 1.23 2.96 -1.26 -4.98 118.68 118.66 3i4c s LEU 277 Ca 0.21 1.08 -0.01 0.00 -0.22 0.00 0.00 54.13 55.19 3i4c s LEU 277 Cb -0.11 -2.99 0.04 0.00 0.50 0.00 0.00 46.19 43.63 3i4c s LEU 277 CO 0.13 -0.11 -0.03 -2.28 -1.32 0.00 0.00 176.35 172.74 3i4c s HIS 278 N 0.87 1.44 -0.13 5.38 5.65 -1.26 -5.12 115.29 122.11 3i4c s HIS 278 Ca 0.34 -0.91 -0.14 0.00 0.25 0.00 0.00 55.06 54.60 3i4c s HIS 278 Cb -0.17 -1.19 0.04 0.00 -1.18 0.00 0.00 32.58 30.07 3i4c s HIS 278 CO 0.16 -0.57 0.39 -0.47 -0.65 0.00 0.00 174.74 173.60 3i4c s TYR 279 N 1.72 -0.41 -0.18 3.88 5.04 -1.26 -4.93 117.35 121.20 3i4c s TYR 279 Ca 0.01 0.98 -0.29 0.00 -2.44 0.00 0.00 57.07 55.34 3i4c s TYR 279 Cb -0.15 0.15 -0.04 0.00 0.35 0.00 0.00 41.96 42.27 3i4c s TYR 279 CO -0.07 -0.24 1.68 -1.58 -1.34 0.00 0.00 175.55 173.99 3i4c s HIS 280 N 0.02 1.99 0.21 4.97 5.04 -1.26 -4.92 115.29 121.33 3i4c s HIS 280 Ca -0.02 0.44 -0.13 0.00 -1.54 0.00 0.00 55.06 53.81 3i4c s HIS 280 Cb -0.03 -3.98 0.24 0.00 0.04 0.00 0.00 32.58 28.85 3i4c s HIS 280 CO 0.01 -3.27 1.63 0.00 -2.34 0.00 0.00 174.74 170.77 3i4c h ALA 281 N 10.79 0.43 -0.84 1.58 0.00 -2.00 -0.99 119.26 128.23 3i4c h ALA 281 Ca -0.36 0.24 0.20 0.00 0.00 0.00 0.00 54.91 54.99 3i4c h ALA 281 Cb 1.17 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 19.36 3i4c h ALA 281 CO 0.99 -0.42 0.57 -1.35 0.00 0.00 0.00 179.25 179.03 3i4c h PRO 282 N 0.01 0.27 -0.50 0.00 0.11 -2.00 0.12 132.00 130.01 3i4c h PRO 282 Ca 0.30 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.31 3i4c h PRO 282 Cb 0.46 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 3i4c h PRO 282 CO -0.63 0.18 -0.03 -0.07 -0.21 0.00 0.00 178.00 177.24 3i4c h LEU 283 N 0.28 0.84 -0.14 2.35 3.38 -1.57 -0.77 115.31 119.67 3i4c h LEU 283 Ca 0.42 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3i4c h LEU 283 Cb 1.21 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 3i4c h LEU 283 CO -0.12 0.92 -0.08 0.40 0.09 0.00 0.00 178.44 179.66 3i4c h ILE 284 N 0.79 1.32 -0.29 1.22 2.04 -0.74 -2.69 117.51 119.16 3i4c h ILE 284 Ca 0.15 -1.13 -0.12 0.00 1.00 0.00 0.00 64.86 64.75 3i4c h ILE 284 Cb 0.52 1.75 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3i4c h ILE 284 CO 0.03 0.33 -0.30 0.71 0.00 0.00 0.00 178.15 178.91 3i4c h THR 285 N -0.03 1.30 -0.25 -0.27 1.35 -1.27 0.10 112.91 113.84 3i4c h THR 285 Ca 0.03 -1.48 -0.05 0.00 -0.55 0.00 0.00 66.41 64.37 3i4c h THR 285 Cb 0.55 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 3i4c h THR 285 CO 0.02 0.47 -0.05 -0.07 -0.25 0.00 0.00 175.52 175.65 3i4c h LEU 286 N 0.47 0.35 -1.29 3.87 3.38 -1.22 -3.12 115.31 117.75 3i4c h LEU 286 Ca 0.04 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3i4c h LEU 286 Cb 0.88 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3i4c h LEU 286 CO 0.08 0.46 -0.17 -1.20 0.09 0.00 0.00 178.44 177.69 3i4c n SER 287 N -4.29 2.06 -3.14 -0.43 7.64 -1.02 -4.98 113.62 109.46 3i4c n SER 287 Ca 0.00 -1.53 -0.22 0.00 1.01 0.00 0.00 58.87 58.13 3i4c n SER 287 Cb 0.24 0.23 0.02 0.00 -1.01 0.00 0.00 64.21 63.69 3i4c n SER 287 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i4c n GLU 288 N 0.44 -4.09 -1.69 1.43 1.02 0.32 0.73 120.64 118.81 3i4c n GLU 288 Ca 0.09 0.70 -0.30 0.00 -0.02 0.00 0.00 57.16 57.63 3i4c n GLU 288 Cb 0.39 -5.48 0.07 0.00 -0.02 0.00 0.00 31.44 26.40 3i4c n GLU 288 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3i4c s ILE 289 N -3.04 3.25 -0.01 -3.67 -4.36 -0.96 -3.65 121.20 108.76 3i4c s ILE 289 Ca 0.33 0.41 0.01 0.00 -0.26 0.00 0.00 60.65 61.14 3i4c s ILE 289 Cb -0.16 -3.25 0.01 0.00 1.25 0.00 0.00 42.46 40.30 3i4c s ILE 289 CO 0.41 -0.53 -0.04 -1.10 0.24 0.00 0.00 174.94 173.92 3i4c s GLN 290 N -5.24 0.42 -0.22 0.37 -0.21 -0.28 -4.90 119.66 109.61 3i4c s GLN 290 Ca 0.60 -0.11 -0.05 0.00 0.02 0.00 0.00 55.36 55.81 3i4c s GLN 290 Cb -0.13 -0.44 -0.02 0.00 1.00 0.00 0.00 33.01 33.42 3i4c s GLN 290 CO 0.53 0.03 0.01 -0.06 -2.12 0.00 0.00 175.29 173.69 3i4c s PHE 291 N 0.23 3.03 -0.05 0.91 0.08 -1.26 0.28 117.98 121.20 3i4c s PHE 291 Ca -0.02 -0.57 0.03 0.00 0.12 0.00 0.00 56.93 56.49 3i4c s PHE 291 Cb -0.06 -2.14 0.01 0.00 -0.57 0.00 0.00 43.02 40.27 3i4c s PHE 291 CO -0.00 -0.35 -0.12 0.14 -0.10 0.00 0.00 175.22 174.79 3i4c s VAL 292 N 1.31 1.05 0.25 -0.44 -7.23 0.04 -4.94 120.40 110.44 3i4c s VAL 292 Ca 0.04 -0.46 0.01 0.00 -1.81 0.00 0.00 61.98 59.76 3i4c s VAL 292 Cb -0.15 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 3i4c s VAL 292 CO 0.01 0.33 0.42 -0.83 -0.31 0.00 0.00 175.10 174.72 3i4c s GLY 293 N 0.46 1.50 0.05 2.32 0.00 -1.26 -0.95 107.32 109.44 3i4c s GLY 293 Ca -0.10 -0.97 -0.27 0.00 0.00 0.00 0.00 44.72 43.38 3i4c s GLY 293 CO 0.02 -0.94 0.68 -0.45 0.00 0.00 0.00 173.10 172.41 3i4c s SER 294 N -3.65 -0.57 0.00 1.64 0.15 -0.81 -4.91 113.70 105.56 3i4c s SER 294 Ca 0.37 0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.29 3i4c s SER 294 Cb -0.10 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 3i4c s SER 294 CO 0.31 -0.77 0.00 -0.11 1.20 0.00 0.00 173.24 173.87 3i4c n LEU 295 N 0.14 0.00 0.00 3.45 7.94 -1.26 -4.00 117.00 123.27 3i4c n LEU 295 Ca -0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 3i4c n LEU 295 Cb 0.62 0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.68 3i4c n LEU 295 CO 0.16 -0.33 0.00 1.33 -1.11 0.00 0.00 177.39 177.44 3i4c n VAL 296 N -2.17 0.00 -3.57 1.96 0.24 -1.26 -4.64 118.33 108.89 3i4c n VAL 296 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.33 3i4c n VAL 296 Cb 0.00 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3i4c n VAL 296 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3i4c s GLY 297 N 0.00 -0.45 0.00 7.63 0.00 -1.26 -4.26 107.32 108.97 3i4c s GLY 297 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 44.72 45.79 3i4c s GLY 297 CO 0.00 0.24 0.00 1.16 0.00 0.00 0.00 173.10 174.50 3i4c n ASN 298 N -0.43 0.37 -0.17 1.64 0.23 -1.26 -4.61 115.26 111.03 3i4c n ASN 298 Ca -0.08 -0.86 0.03 0.00 -0.53 0.00 0.00 54.58 53.15 3i4c n ASN 298 Cb 0.63 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.64 3i4c n ASN 298 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3i4c h GLN 299 N 0.00 0.83 -0.61 -3.83 1.08 -1.93 -1.06 115.11 109.59 3i4c h GLN 299 Ca 0.00 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.08 3i4c h GLN 299 Cb 0.00 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.22 3i4c h GLN 299 CO 0.00 0.55 0.09 1.03 -0.95 0.00 0.00 178.83 179.55 3i4c h SER 300 N 0.85 0.97 -0.60 1.46 0.87 -1.95 0.23 113.55 115.38 3i4c h SER 300 Ca 0.27 -0.26 -0.07 0.00 -1.23 0.00 0.00 61.79 60.50 3i4c h SER 300 Cb 0.03 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 3i4c h SER 300 CO -0.07 0.98 0.10 0.44 -0.53 0.00 0.00 176.83 177.75 3i4c h ASP 301 N 0.91 0.95 -0.39 6.23 3.32 -1.68 -1.05 116.42 124.72 3i4c h ASP 301 Ca 0.18 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 3i4c h ASP 301 Cb 0.43 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3i4c h ASP 301 CO 0.01 0.97 0.07 0.15 -1.72 0.00 0.00 179.24 178.73 3i4c h PHE 302 N 0.90 0.68 -0.70 4.55 3.57 -1.00 -1.63 116.94 123.31 3i4c h PHE 302 Ca 0.18 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3i4c h PHE 302 Cb 0.42 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 3i4c h PHE 302 CO 0.03 0.67 0.41 1.25 -2.23 0.00 0.00 178.31 178.45 3i4c h LEU 303 N 0.49 0.84 -0.05 0.59 5.85 -0.77 -1.51 115.31 120.75 3i4c h LEU 303 Ca 0.12 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3i4c h LEU 303 Cb 0.35 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 3i4c h LEU 303 CO 0.01 0.66 0.01 1.23 -0.34 0.00 0.00 178.44 180.01 3i4c h GLY 304 N 0.95 0.08 1.38 3.75 0.00 -0.95 -1.10 103.07 107.18 3i4c h GLY 304 Ca 0.25 -0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.43 3i4c h GLY 304 CO -0.05 0.05 -0.19 1.19 0.00 0.00 0.00 176.54 177.54 3i4c h ILE 305 N -0.15 1.26 -0.25 2.60 6.09 -1.24 -2.06 117.51 123.76 3i4c h ILE 305 Ca 0.01 -1.26 -0.14 0.00 -1.37 0.00 0.00 64.86 62.10 3i4c h ILE 305 Cb 0.25 1.18 -0.01 0.00 0.47 0.00 0.00 36.82 38.71 3i4c h ILE 305 CO 0.00 0.42 -0.42 0.24 -3.07 0.00 0.00 178.15 175.32 3i4c h MET 306 N 0.64 0.61 -0.62 2.19 2.86 -1.25 -0.34 114.93 119.02 3i4c h MET 306 Ca 0.10 -0.32 -0.04 0.00 -2.06 0.00 0.00 59.70 57.37 3i4c h MET 306 Cb 0.67 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 3i4c h MET 306 CO 0.05 0.92 0.22 0.00 1.06 0.00 0.00 176.91 179.16 3i4c h ARG 307 N 0.50 0.94 -0.12 1.72 3.08 -0.99 0.64 114.38 120.15 3i4c h ARG 307 Ca 0.04 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 3i4c h ARG 307 Cb 0.94 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.84 3i4c h ARG 307 CO 0.08 0.81 0.03 -0.07 -1.07 0.00 0.00 179.97 179.76 3i4c h LEU 308 N 0.87 0.17 -0.45 3.04 3.38 -1.15 -2.31 115.31 118.86 3i4c h LEU 308 Ca 0.20 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3i4c h LEU 308 Cb 0.24 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3i4c h LEU 308 CO -0.01 0.33 0.17 0.00 0.09 0.00 0.00 178.44 179.02 3i4c h ALA 309 N 0.84 0.59 0.00 1.53 0.00 -0.94 -0.06 119.26 121.22 3i4c h ALA 309 Ca 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3i4c h ALA 309 Cb 0.23 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i4c h ALA 309 CO -0.00 0.21 -0.03 0.93 0.00 0.00 0.00 179.25 180.36 3i4c h GLU 310 N 0.59 0.00 -0.02 0.00 4.39 -0.84 -0.78 114.58 117.92 3i4c h GLU 310 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 3i4c h GLU 310 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3i4c h GLU 310 CO -0.01 0.03 -0.16 0.00 -1.16 0.00 0.00 179.01 177.71 3i4c n ALA 311 N -2.13 2.85 -0.99 3.43 0.00 -0.87 -4.66 120.51 118.15 3i4c n ALA 311 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3i4c n ALA 311 Cb 0.20 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3i4c n ALA 311 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4c n GLY 312 N 1.32 0.49 0.20 0.00 0.00 -0.30 -4.88 105.19 102.01 3i4c n GLY 312 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 3i4c n GLY 312 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i4c h LYS 313 N 1.10 0.00 -3.60 1.61 1.57 -1.25 -3.41 116.57 112.59 3i4c h LYS 313 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 3i4c h LYS 313 Cb 0.13 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 32.08 3i4c h LYS 313 CO 0.00 0.00 -0.75 0.08 -0.57 0.00 0.00 179.45 178.21 3i4c s VAL 314 N -3.38 0.14 0.46 0.50 1.01 -1.20 -4.81 120.40 113.12 3i4c s VAL 314 Ca 0.05 0.19 -0.16 0.00 0.00 0.00 0.00 61.98 62.06 3i4c s VAL 314 Cb 0.09 -0.29 -0.08 0.00 0.00 0.00 0.00 36.38 36.09 3i4c s VAL 314 CO 0.55 0.18 0.91 -0.54 0.00 0.00 0.00 175.10 176.19 3i4c s LYS 315 N 1.55 3.97 0.89 2.72 -0.14 -1.26 -4.30 119.74 123.17 3i4c s LYS 315 Ca -0.02 0.86 -0.11 0.00 -1.36 0.00 0.00 55.97 55.33 3i4c s LYS 315 Cb -0.13 -2.22 0.13 0.00 -1.68 0.00 0.00 37.83 33.92 3i4c s LYS 315 CO -0.03 -0.14 1.10 -2.14 -0.76 0.00 0.00 175.35 173.38 3i4c s PRO 316 N -3.76 1.27 0.55 -1.68 0.02 -1.26 -4.99 135.00 125.14 3i4c s PRO 316 Ca 0.57 1.16 -0.17 0.00 0.02 0.00 0.00 61.00 62.59 3i4c s PRO 316 Cb -0.10 -1.78 -0.06 0.00 0.02 0.00 0.00 34.50 32.58 3i4c s PRO 316 CO 0.27 -2.33 1.03 -1.64 -0.33 0.00 0.00 177.00 174.00 3i4c s MET 317 N -4.79 3.57 0.06 5.54 -1.94 -1.26 -4.97 119.30 115.52 3i4c s MET 317 Ca 0.64 1.16 -0.31 0.00 -1.71 0.00 0.00 55.69 55.47 3i4c s MET 317 Cb -0.20 -2.07 -0.07 0.00 2.01 0.00 0.00 34.83 34.49 3i4c s MET 317 CO 0.58 -0.60 1.54 0.42 -0.01 0.00 0.00 175.02 176.95 3i4c s ILE 318 N -2.43 3.24 0.15 2.53 -1.09 -1.26 -4.95 121.20 117.40 3i4c s ILE 318 Ca 0.63 0.72 0.09 0.00 -2.23 0.00 0.00 60.65 59.85 3i4c s ILE 318 Cb -0.14 -3.46 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 3i4c s ILE 318 CO 0.32 0.01 -0.19 -0.89 -1.23 0.00 0.00 174.94 172.96 3i4c s THR 319 N 2.31 1.82 -0.20 2.92 2.01 -1.26 -1.88 115.64 121.37 3i4c s THR 319 Ca 0.70 -1.84 0.01 0.00 0.31 0.00 0.00 61.69 60.87 3i4c s THR 319 Cb -0.37 -1.79 0.05 0.00 0.01 0.00 0.00 72.50 70.39 3i4c s THR 319 CO 0.30 -0.24 -0.08 -0.75 -0.69 0.00 0.00 174.62 173.15 3i4c s LYS 320 N -2.58 1.84 0.23 4.92 2.47 -0.47 -4.91 119.74 121.25 3i4c s LYS 320 Ca 0.14 -0.84 -0.23 0.00 -1.56 0.00 0.00 55.97 53.48 3i4c s LYS 320 Cb -0.07 -2.41 -0.09 0.00 -1.46 0.00 0.00 37.83 33.81 3i4c s LYS 320 CO 0.06 -0.47 0.79 0.95 0.16 0.00 0.00 175.35 176.84 3i4c s THR 321 N 1.42 4.43 0.30 3.43 -4.23 -1.26 -1.63 115.64 118.09 3i4c s THR 321 Ca -0.02 1.53 0.04 0.00 -1.18 0.00 0.00 61.69 62.05 3i4c s THR 321 Cb -0.17 -3.97 -0.03 0.00 1.34 0.00 0.00 72.50 69.67 3i4c s THR 321 CO -0.08 0.27 0.26 -0.04 -0.54 0.00 0.00 174.62 174.49 3i4c s MET 322 N -1.79 1.62 0.39 3.99 -1.94 -0.29 -4.92 119.30 116.36 3i4c s MET 322 Ca 0.43 -1.88 -0.09 0.00 -1.71 0.00 0.00 55.69 52.44 3i4c s MET 322 Cb -0.19 0.32 -0.06 0.00 2.01 0.00 0.00 34.83 36.92 3i4c s MET 322 CO 0.23 -0.59 0.73 0.15 -0.01 0.00 0.00 175.02 175.53 3i4c s LYS 323 N -3.61 3.73 0.30 2.03 1.02 -1.26 -0.30 119.74 121.65 3i4c s LYS 323 Ca 0.39 0.36 -0.00 0.00 0.02 0.00 0.00 55.97 56.74 3i4c s LYS 323 Cb 0.03 -2.44 0.51 0.00 -0.52 0.00 0.00 37.83 35.41 3i4c s LYS 323 CO 0.23 -0.00 1.94 1.25 -0.92 0.00 0.00 175.35 177.84 3i4c h LEU 324 N 1.26 0.91 -1.39 3.17 5.85 -1.88 -0.99 115.31 122.24 3i4c h LEU 324 Ca -0.47 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3i4c h LEU 324 Cb 1.19 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3i4c h LEU 324 CO 0.64 0.61 0.00 -0.33 -0.34 0.00 0.00 178.44 179.02 3i4c h GLU 325 N 1.05 0.00 -0.52 1.25 3.07 -1.94 -2.24 114.58 115.25 3i4c h GLU 325 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3i4c h GLU 325 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3i4c h GLU 325 CO -0.11 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.89 3i4c n GLU 326 N -2.56 2.20 -0.04 2.33 1.02 -0.37 -4.44 120.64 118.79 3i4c n GLU 326 Ca 0.00 -1.34 -0.09 0.00 -0.02 0.00 0.00 57.16 55.71 3i4c n GLU 326 Cb 0.17 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.07 3i4c n GLU 326 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i4c h ALA 327 N 3.37 -0.20 -0.95 0.62 0.00 -1.51 0.11 119.26 120.70 3i4c h ALA 327 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3i4c h ALA 327 Cb 0.75 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 3i4c h ALA 327 CO 0.09 -0.71 0.63 -0.91 0.00 0.00 0.00 179.25 178.35 3i4c h ASN 328 N -0.29 1.09 -0.21 0.00 2.35 -1.86 -1.27 115.58 115.37 3i4c h ASN 328 Ca 0.13 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3i4c h ASN 328 Cb 0.49 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3i4c h ASN 328 CO -0.38 0.78 0.09 -0.08 -1.65 0.00 0.00 177.43 176.19 3i4c h GLU 329 N 1.28 0.32 -0.67 0.81 4.81 -1.63 0.14 114.58 119.64 3i4c h GLU 329 Ca 0.35 -0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.62 3i4c h GLU 329 Cb -0.13 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.13 3i4c h GLU 329 CO -0.08 0.36 0.32 0.00 -0.73 0.00 0.00 179.01 178.88 3i4c h ALA 330 N 0.94 0.90 -0.30 2.92 0.00 -0.26 0.24 119.26 123.70 3i4c h ALA 330 Ca 0.07 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3i4c h ALA 330 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3i4c h ALA 330 CO -0.01 -0.08 -0.30 0.82 0.00 0.00 0.00 179.25 179.69 3i4c h ILE 331 N 0.55 1.28 -0.27 0.00 2.04 -0.95 -2.73 117.51 117.44 3i4c h ILE 331 Ca 0.33 -1.40 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 3i4c h ILE 331 Cb 0.34 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3i4c h ILE 331 CO -0.26 0.45 0.16 0.44 0.00 0.00 0.00 178.15 178.93 3i4c h ASP 332 N 0.54 0.32 -1.00 1.72 3.32 0.91 -1.87 116.42 120.35 3i4c h ASP 332 Ca 0.07 -0.06 0.17 0.00 0.02 0.00 0.00 57.03 57.23 3i4c h ASP 332 Cb 0.78 -0.08 -0.10 0.00 0.22 0.00 0.00 39.33 40.15 3i4c h ASP 332 CO 0.06 0.29 0.62 0.78 -1.72 0.00 0.00 179.24 179.27 3i4c h ASN 333 N 0.33 0.82 -0.35 6.45 2.35 -0.34 0.04 115.58 124.88 3i4c h ASN 333 Ca 0.10 0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.84 3i4c h ASN 333 Cb 0.03 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3i4c h ASN 333 CO -0.02 0.33 -0.13 -0.07 -1.65 0.00 0.00 177.43 175.89 3i4c h LEU 334 N 0.82 0.72 -2.08 1.61 3.38 -1.13 -2.77 115.31 115.86 3i4c h LEU 334 Ca 0.56 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 58.17 3i4c h LEU 334 Cb 0.80 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3i4c h LEU 334 CO -0.35 0.95 0.09 -0.33 0.09 0.00 0.00 178.44 178.89 3i4c h GLU 335 N 0.49 0.00 0.06 1.13 5.08 -0.24 -3.50 114.58 117.60 3i4c h GLU 335 Ca 0.08 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.07 3i4c h GLU 335 Cb 0.66 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 3i4c h GLU 335 CO 0.04 0.00 -2.22 0.09 -1.00 0.00 0.00 179.01 175.93 3i4c n ASN 336 N -4.35 2.05 -4.55 1.42 3.02 -0.58 -5.11 115.26 107.16 3i4c n ASN 336 Ca -0.00 0.06 -0.41 0.00 -0.03 0.00 0.00 54.58 54.19 3i4c n ASN 336 Cb 0.21 -0.66 -0.08 0.00 -0.61 0.00 0.00 39.78 38.64 3i4c n ASN 336 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3i4c s ARG 342 N -2.54 3.61 -0.01 3.52 6.06 -0.79 -4.96 118.95 123.86 3i4c s ARG 342 Ca -0.29 -0.23 -0.25 0.00 -2.50 0.00 0.00 55.73 52.46 3i4c s ARG 342 Cb 0.08 -3.80 -0.04 0.00 0.06 0.00 0.00 34.95 31.24 3i4c s ARG 342 CO 0.68 -0.60 0.78 -0.65 -2.50 0.00 0.00 175.30 173.02 3i4c s GLN 343 N 2.26 4.49 -0.12 5.12 -0.21 -1.26 -1.37 119.66 128.58 3i4c s GLN 343 Ca 0.16 1.06 0.00 0.00 0.02 0.00 0.00 55.36 56.61 3i4c s GLN 343 Cb -0.16 -3.42 0.02 0.00 1.00 0.00 0.00 33.01 30.46 3i4c s GLN 343 CO 0.13 0.13 -0.11 0.08 -2.12 0.00 0.00 175.29 173.39 3i4c s VAL 344 N 0.50 1.26 0.19 1.09 1.01 -0.65 -0.59 120.40 123.20 3i4c s VAL 344 Ca 0.41 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 3i4c s VAL 344 Cb -0.19 -1.21 -0.08 0.00 0.00 0.00 0.00 36.38 34.90 3i4c s VAL 344 CO 0.22 0.40 0.91 -0.76 0.00 0.00 0.00 175.10 175.87 3i4c s LEU 345 N 1.44 4.60 -0.32 3.92 1.43 0.10 -1.14 118.68 128.70 3i4c s LEU 345 Ca 0.01 1.84 0.03 0.00 -1.03 0.00 0.00 54.13 54.98 3i4c s LEU 345 Cb -0.13 -3.53 0.10 0.00 0.03 0.00 0.00 46.19 42.65 3i4c s LEU 345 CO -0.07 0.11 0.04 -0.63 0.23 0.00 0.00 176.35 176.03 3i4c s ILE 346 N -0.84 2.01 -1.52 -0.59 1.01 0.58 -0.45 121.20 121.41 3i4c s ILE 346 Ca 0.41 -2.09 0.00 0.00 0.00 0.00 0.00 60.65 58.97 3i4c s ILE 346 Cb -0.25 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.77 3i4c s ILE 346 CO 0.30 -0.55 0.38 -2.65 0.00 0.00 0.00 174.94 172.42