#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ip3 s LEU 2 N 0.00 4.21 -0.04 2.46 1.43 -0.61 -4.98 118.68 121.15 3ip3 s LEU 2 Ca 0.00 0.96 -0.17 0.00 -1.03 0.00 0.00 54.13 53.88 3ip3 s LEU 2 Cb 0.00 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.23 3ip3 s LEU 2 CO 0.00 -0.20 0.48 -0.54 0.23 0.00 0.00 176.35 176.32 3ip3 s LYS 3 N 1.43 4.18 -0.09 1.70 1.02 -1.26 -0.65 119.74 126.07 3ip3 s LYS 3 Ca 0.32 0.51 0.04 0.00 0.02 0.00 0.00 55.97 56.85 3ip3 s LYS 3 Cb -0.16 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 3ip3 s LYS 3 CO 0.13 0.42 -0.21 0.42 -0.92 0.00 0.00 175.35 175.18 3ip3 s ILE 4 N -0.26 1.86 0.11 2.17 1.01 0.59 -1.57 121.20 125.12 3ip3 s ILE 4 Ca 0.26 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 60.07 3ip3 s ILE 4 Cb -0.17 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 3ip3 s ILE 4 CO 0.13 0.52 -0.02 0.00 0.00 0.00 0.00 174.94 175.57 3ip3 s VAL 6 N -1.40 1.93 -0.20 0.00 1.01 -0.56 -0.84 120.40 120.33 3ip3 s VAL 6 Ca 0.25 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 3ip3 s VAL 6 Cb -0.11 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 3ip3 s VAL 6 CO 0.18 0.53 -0.06 -0.63 0.00 0.00 0.00 175.10 175.12 3ip3 s ILE 7 N 0.27 3.33 0.00 2.22 1.01 0.14 -1.84 121.20 126.32 3ip3 s ILE 7 Ca -0.15 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 59.98 3ip3 s ILE 7 Cb -0.17 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.81 3ip3 s ILE 7 CO 0.07 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.07 3ip3 n GLY 8 N 4.54 0.13 0.98 6.18 0.00 -0.22 -0.69 105.19 116.11 3ip3 n GLY 8 Ca -0.18 -1.79 0.01 0.00 0.00 0.00 0.00 46.02 44.07 3ip3 n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ip3 n SER 9 N -0.92 0.38 -1.09 1.61 2.88 -0.99 -4.70 113.62 110.79 3ip3 n SER 9 Ca 0.00 -1.94 0.09 0.00 -1.33 0.00 0.00 58.87 55.69 3ip3 n SER 9 Cb 0.00 -0.20 0.26 0.00 -0.75 0.00 0.00 64.21 63.52 3ip3 n SER 9 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3ip3 n SER 10 N 0.22 3.73 -0.54 -3.46 7.64 -0.20 -4.75 113.62 116.27 3ip3 n SER 10 Ca 0.01 -2.18 0.00 0.00 1.01 0.00 0.00 58.87 57.70 3ip3 n SER 10 Cb 0.89 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 3ip3 n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ip3 n GLY 11 N 0.92 4.93 2.40 0.23 0.00 -1.20 -4.86 105.19 107.61 3ip3 n GLY 11 Ca 0.20 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 3ip3 n GLY 11 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ip3 n HIS 12 N 0.00 2.22 -0.05 1.61 8.25 -1.26 -4.63 115.22 121.36 3ip3 n HIS 12 Ca 0.00 -2.67 0.24 0.00 -0.26 0.00 0.00 57.72 55.03 3ip3 n HIS 12 Cb 0.00 -1.92 0.72 0.00 1.12 0.00 0.00 29.99 29.91 3ip3 n HIS 12 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3ip3 h PHE 13 N 4.35 0.00 -0.05 4.41 -5.15 -1.94 -0.83 116.94 117.72 3ip3 h PHE 13 Ca 0.67 0.00 0.02 0.00 -0.20 0.00 0.00 57.97 58.45 3ip3 h PHE 13 Cb 0.45 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.61 3ip3 h PHE 13 CO 1.67 0.00 0.06 0.00 -2.00 0.00 0.00 178.31 178.05 3ip3 h ARG 14 N 0.00 0.00 -0.71 6.09 3.08 -2.00 -0.71 114.38 120.13 3ip3 h ARG 14 Ca 0.31 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.41 3ip3 h ARG 14 Cb 1.40 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.39 3ip3 h ARG 14 CO -0.00 0.00 0.42 1.88 -1.07 0.00 0.00 179.97 181.20 3ip3 h TYR 15 N 0.00 0.78 0.41 3.04 0.05 -1.55 -1.33 116.97 118.37 3ip3 h TYR 15 Ca 0.03 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 3ip3 h TYR 15 Cb 0.15 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.65 3ip3 h TYR 15 CO 0.00 0.40 -0.20 0.00 -1.05 0.00 0.00 178.16 177.32 3ip3 h ALA 16 N 1.34 -0.55 -0.98 3.88 0.00 -1.32 -3.30 119.26 118.33 3ip3 h ALA 16 Ca 0.31 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.14 3ip3 h ALA 16 Cb 0.13 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 3ip3 h ALA 16 CO -0.16 -0.69 0.63 -0.07 0.00 0.00 0.00 179.25 178.97 3ip3 h LEU 17 N -0.79 0.93 0.00 0.00 3.38 -1.27 -1.02 115.31 116.54 3ip3 h LEU 17 Ca -0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ip3 h LEU 17 Cb 0.53 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ip3 h LEU 17 CO 0.09 0.53 0.00 -0.62 0.09 0.00 0.00 178.44 178.53 3ip3 n GLU 18 N -4.57 0.62 -0.04 1.13 1.02 -0.52 -2.94 120.64 115.35 3ip3 n GLU 18 Ca 0.17 0.02 0.04 0.00 -0.02 0.00 0.00 57.16 57.37 3ip3 n GLU 18 Cb 0.30 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.27 3ip3 n GLU 18 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ip3 n GLY 19 N 0.84 0.35 3.74 0.62 0.00 -0.40 -4.95 105.19 105.39 3ip3 n GLY 19 Ca 0.17 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3ip3 n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ip3 s LEU 20 N -0.73 3.34 0.30 0.99 1.43 -1.11 -4.23 118.68 118.67 3ip3 s LEU 20 Ca 0.11 2.19 0.03 0.00 -1.03 0.00 0.00 54.13 55.42 3ip3 s LEU 20 Cb 0.07 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.69 3ip3 s LEU 20 CO 0.10 -1.99 0.28 1.51 0.23 0.00 0.00 176.35 176.48 3ip3 s ASP 21 N -2.29 1.11 0.56 2.29 1.47 -1.26 -5.05 116.67 113.50 3ip3 s ASP 21 Ca 0.71 -1.60 0.23 0.00 1.18 0.00 0.00 52.55 53.07 3ip3 s ASP 21 Cb -0.25 0.53 1.57 0.00 -0.34 0.00 0.00 42.92 44.42 3ip3 s ASP 21 CO 0.44 -1.04 2.21 -0.33 0.68 0.00 0.00 175.17 177.12 3ip3 h GLU 22 N 2.26 0.00 -0.13 2.11 3.07 -2.03 -2.03 114.58 117.83 3ip3 h GLU 22 Ca -0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 3ip3 h GLU 22 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 3ip3 h GLU 22 CO 0.41 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.41 3ip3 n GLU 23 N -4.17 1.35 -4.14 2.33 -0.58 -1.26 -4.62 120.64 109.54 3ip3 n GLU 23 Ca -0.03 -0.55 -0.10 0.00 -0.42 0.00 0.00 57.16 56.07 3ip3 n GLU 23 Cb 0.09 -1.18 -0.10 0.00 -0.57 0.00 0.00 31.44 29.67 3ip3 n GLU 23 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ip3 s SER 25 N -2.93 -0.26 -0.37 0.00 1.04 0.18 -4.66 113.70 106.69 3ip3 s SER 25 Ca 0.09 0.30 -0.19 0.00 0.48 0.00 0.00 55.95 56.63 3ip3 s SER 25 Cb 0.05 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3ip3 s SER 25 CO -0.06 -0.36 0.56 -0.63 0.98 0.00 0.00 173.24 173.72 3ip3 s ILE 26 N -0.90 4.96 -1.13 -1.02 1.01 -1.26 -0.30 121.20 122.57 3ip3 s ILE 26 Ca -0.10 0.30 0.12 0.00 0.00 0.00 0.00 60.65 60.97 3ip3 s ILE 26 Cb -0.04 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.40 3ip3 s ILE 26 CO 0.03 -0.32 0.72 0.35 0.00 0.00 0.00 174.94 175.72 3ip3 n THR 27 N 5.54 0.00 -3.62 2.92 -2.24 -0.52 -4.25 114.28 112.11 3ip3 n THR 27 Ca -0.04 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.22 3ip3 n THR 27 Cb 0.49 1.15 -0.07 0.00 -2.10 0.00 0.00 70.33 69.80 3ip3 n THR 27 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3ip3 s GLY 28 N -1.43 -0.43 0.01 3.38 0.00 -1.24 -2.87 107.32 104.73 3ip3 s GLY 28 Ca 0.10 2.16 -0.01 0.00 0.00 0.00 0.00 44.72 46.98 3ip3 s GLY 28 CO 0.27 1.71 0.00 -0.26 0.00 0.00 0.00 173.10 174.82 3ip3 s ILE 29 N 0.21 0.05 0.04 0.90 -4.36 -0.65 -1.49 121.20 115.91 3ip3 s ILE 29 Ca 0.00 -0.43 -0.14 0.00 -0.26 0.00 0.00 60.65 59.82 3ip3 s ILE 29 Cb -0.05 -0.15 0.02 0.00 1.25 0.00 0.00 42.46 43.53 3ip3 s ILE 29 CO -0.00 -0.24 0.31 0.00 0.24 0.00 0.00 174.94 175.25 3ip3 s ALA 30 N -0.70 -0.71 0.74 2.27 0.00 -0.77 -0.62 121.76 121.97 3ip3 s ALA 30 Ca -0.08 0.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 3ip3 s ALA 30 Cb -0.05 0.32 0.04 0.00 0.00 0.00 0.00 23.12 23.44 3ip3 s ALA 30 CO -0.00 -0.42 1.11 -1.25 0.00 0.00 0.00 175.76 175.20 3ip3 s PRO 31 N -2.54 2.44 -0.03 0.00 0.04 -1.26 -1.06 135.00 132.59 3ip3 s PRO 31 Ca -0.05 0.23 -0.00 0.00 0.04 0.00 0.00 61.00 61.22 3ip3 s PRO 31 Cb -0.01 -2.02 -0.26 0.00 0.04 0.00 0.00 34.50 32.25 3ip3 s PRO 31 CO -0.03 -1.26 0.71 0.78 0.04 0.00 0.00 177.00 177.23 3ip3 h GLY 32 N -0.79 0.22 -4.51 0.56 0.00 -1.94 -3.40 103.07 93.22 3ip3 h GLY 32 Ca -0.45 -0.56 -0.40 0.00 0.00 0.00 0.00 47.33 45.92 3ip3 h GLY 32 CO 0.64 0.49 -0.77 -1.34 0.00 0.00 0.00 176.54 175.56 3ip3 s VAL 33 N -2.60 1.06 0.34 4.60 -7.23 -1.26 -4.99 120.40 110.32 3ip3 s VAL 33 Ca -0.11 -1.29 0.13 0.00 -1.81 0.00 0.00 61.98 58.91 3ip3 s VAL 33 Cb 0.07 -1.03 0.33 0.00 0.56 0.00 0.00 36.38 36.31 3ip3 s VAL 33 CO 0.83 -0.24 1.67 -0.65 -0.31 0.00 0.00 175.10 176.39 3ip3 h PRO 34 N 4.31 0.34 -0.00 4.82 0.11 -1.90 -0.49 132.00 139.17 3ip3 h PRO 34 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3ip3 h PRO 34 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3ip3 h PRO 34 CO 0.40 0.22 -0.28 -0.85 -0.21 0.00 0.00 178.00 177.28 3ip3 n GLU 35 N -5.05 0.49 -1.71 1.05 0.00 -1.26 -4.94 120.64 109.21 3ip3 n GLU 35 Ca 0.30 -0.25 -0.43 0.00 0.00 0.00 0.00 57.16 56.78 3ip3 n GLU 35 Cb 0.94 -1.49 -0.02 0.00 0.00 0.00 0.00 31.44 30.86 3ip3 n GLU 35 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3ip3 n GLU 36 N -1.04 2.40 -2.42 3.44 2.13 -0.20 -4.88 120.64 120.08 3ip3 n GLU 36 Ca 0.10 0.85 -0.42 0.00 0.66 0.00 0.00 57.16 58.35 3ip3 n GLU 36 Cb 0.33 -2.57 -0.02 0.00 0.27 0.00 0.00 31.44 29.44 3ip3 n GLU 36 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3ip3 s ASP 37 N 0.35 6.28 0.00 4.31 -1.08 -1.26 -4.88 116.67 120.39 3ip3 s ASP 37 Ca 0.65 0.48 0.23 0.00 -0.52 0.00 0.00 52.55 53.39 3ip3 s ASP 37 Cb -0.56 -2.54 0.65 0.00 -1.46 0.00 0.00 42.92 39.01 3ip3 s ASP 37 CO 0.50 -1.55 1.51 0.18 0.52 0.00 0.00 175.17 176.34 3ip3 n LEU 38 N 9.04 2.25 -0.22 -1.34 4.77 -1.26 -4.54 117.00 125.69 3ip3 n LEU 38 Ca 0.14 -0.88 0.03 0.00 -0.03 0.00 0.00 56.01 55.26 3ip3 n LEU 38 Cb 0.49 -0.10 0.27 0.00 -2.33 0.00 0.00 43.42 41.75 3ip3 n LEU 38 CO 0.71 0.44 1.24 0.77 -1.33 0.00 0.00 177.39 179.22 3ip3 h SER 39 N 3.14 0.82 -0.51 -1.43 4.64 -1.94 0.29 113.55 118.58 3ip3 h SER 39 Ca 0.00 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 3ip3 h SER 39 Cb 0.68 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 3ip3 h SER 39 CO 0.00 0.57 0.12 0.11 -0.87 0.00 0.00 176.83 176.76 3ip3 h LYS 40 N 0.96 0.81 0.24 4.77 1.57 -1.89 -0.53 116.57 122.50 3ip3 h LYS 40 Ca 0.31 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3ip3 h LYS 40 Cb 0.03 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3ip3 h LYS 40 CO -0.09 0.78 -0.11 1.25 -0.57 0.00 0.00 179.45 180.71 3ip3 h LEU 41 N 0.70 -0.27 -0.94 2.94 5.85 -1.62 -2.08 115.31 119.89 3ip3 h LEU 41 Ca 0.16 -0.16 0.12 0.00 0.84 0.00 0.00 57.88 58.85 3ip3 h LEU 41 Cb 0.34 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 3ip3 h LEU 41 CO 0.00 0.01 0.57 -0.33 -0.34 0.00 0.00 178.44 178.35 3ip3 h GLU 42 N -0.56 0.86 0.29 1.25 5.08 -0.98 -1.32 114.58 119.20 3ip3 h GLU 42 Ca -0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3ip3 h GLU 42 Cb 0.41 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3ip3 h GLU 42 CO 0.05 0.57 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.27 3ip3 h LYS 43 N 0.88 -0.37 -0.31 2.33 3.64 -1.02 -2.00 116.57 119.72 3ip3 h LYS 43 Ca 0.48 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.85 3ip3 h LYS 43 Cb 0.51 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 3ip3 h LYS 43 CO -0.28 -0.16 0.05 0.00 -2.27 0.00 0.00 179.45 176.79 3ip3 h ALA 44 N 0.16 1.51 -0.10 5.00 0.00 -0.90 -1.66 119.26 123.27 3ip3 h ALA 44 Ca -0.04 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.51 3ip3 h ALA 44 Cb 0.38 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.04 3ip3 h ALA 44 CO 0.06 0.36 -0.82 -0.84 0.00 0.00 0.00 179.25 178.02 3ip3 h ILE 45 N 0.45 1.32 -0.83 0.00 3.07 -1.22 -3.10 117.51 117.20 3ip3 h ILE 45 Ca 0.11 -2.10 0.08 0.00 1.55 0.00 0.00 64.86 64.49 3ip3 h ILE 45 Cb 0.22 2.11 -0.07 0.00 -0.27 0.00 0.00 36.82 38.81 3ip3 h ILE 45 CO 0.00 0.65 0.50 0.28 -1.05 0.00 0.00 178.15 178.53 3ip3 h SER 46 N 0.42 0.75 0.00 2.16 0.02 -1.10 -2.74 113.55 113.06 3ip3 h SER 46 Ca -0.06 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3ip3 h SER 46 Cb 1.44 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.86 3ip3 h SER 46 CO 0.16 0.46 0.00 -0.62 -1.14 0.00 0.00 176.83 175.69 3ip3 n GLU 47 N -4.68 0.18 -0.35 3.45 1.02 -0.65 -4.51 120.64 115.10 3ip3 n GLU 47 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 3ip3 n GLU 47 Cb 0.22 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 3ip3 n GLU 47 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ip3 n ASN 49 N 1.50 0.00 -4.85 1.62 5.03 -1.05 -5.10 115.26 112.41 3ip3 n ASN 49 Ca 0.00 -1.04 -0.34 0.00 0.87 0.00 0.00 54.58 54.07 3ip3 n ASN 49 Cb 0.09 -0.01 -0.06 0.00 -1.02 0.00 0.00 39.78 38.79 3ip3 n ASN 49 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 3ip3 s ILE 50 N 0.00 4.86 -0.51 2.41 -1.16 -1.12 -5.05 121.20 120.63 3ip3 s ILE 50 Ca 0.00 0.72 0.07 0.00 -0.51 0.00 0.00 60.65 60.93 3ip3 s ILE 50 Cb 0.00 -3.68 0.26 0.00 0.61 0.00 0.00 42.46 39.65 3ip3 s ILE 50 CO 0.00 0.09 0.66 1.17 -2.81 0.00 0.00 174.94 174.04 3ip3 n LYS 51 N 0.34 1.67 -1.78 3.50 4.81 -1.26 -4.30 118.16 121.14 3ip3 n LYS 51 Ca -0.02 -3.96 -0.31 0.00 -0.87 0.00 0.00 58.31 53.15 3ip3 n LYS 51 Cb 0.52 -1.75 0.03 0.00 0.02 0.00 0.00 35.03 33.85 3ip3 n LYS 51 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3ip3 s PRO 52 N -1.96 3.21 0.00 1.64 0.05 -1.26 -5.00 135.00 131.68 3ip3 s PRO 52 Ca 0.38 0.75 -0.29 0.00 0.05 0.00 0.00 61.00 61.89 3ip3 s PRO 52 Cb 0.18 -2.04 -0.03 0.00 0.05 0.00 0.00 34.50 32.66 3ip3 s PRO 52 CO -0.07 -0.85 0.92 0.21 0.05 0.00 0.00 177.00 177.27 3ip3 s LYS 53 N -5.17 4.55 0.00 4.56 2.20 -1.14 -4.84 119.74 119.90 3ip3 s LYS 53 Ca 0.57 1.32 -0.23 0.00 -0.36 0.00 0.00 55.97 57.26 3ip3 s LYS 53 Cb -0.12 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 32.70 3ip3 s LYS 53 CO 0.54 0.01 0.69 0.21 -0.36 0.00 0.00 175.35 176.43 3ip3 s LYS 54 N 0.84 4.42 0.16 4.03 2.20 -1.26 -1.63 119.74 128.50 3ip3 s LYS 54 Ca 0.49 0.90 0.10 0.00 -0.36 0.00 0.00 55.97 57.10 3ip3 s LYS 54 Cb -0.21 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 3ip3 s LYS 54 CO 0.26 0.26 -0.19 0.71 -0.36 0.00 0.00 175.35 176.04 3ip3 s TYR 55 N 0.10 2.45 0.05 4.03 1.51 0.21 -4.95 117.35 120.75 3ip3 s TYR 55 Ca 0.36 -0.30 0.06 0.00 -1.01 0.00 0.00 57.07 56.18 3ip3 s TYR 55 Cb -0.19 -1.24 -0.23 0.00 -0.11 0.00 0.00 41.96 40.19 3ip3 s TYR 55 CO 0.20 0.46 1.02 -0.91 -1.11 0.00 0.00 175.55 175.20 3ip3 h ASN 56 N 3.32 0.09 -3.42 2.29 2.35 -1.96 -3.37 115.58 114.87 3ip3 h ASN 56 Ca -0.48 -0.11 -0.67 0.00 -0.55 0.00 0.00 56.30 54.49 3ip3 h ASN 56 Cb 1.19 -0.03 -0.36 0.00 0.05 0.00 0.00 38.32 39.18 3ip3 h ASN 56 CO 0.48 1.09 -0.83 0.21 -1.65 0.00 0.00 177.43 176.73 3ip3 s ASN 57 N -6.59 3.72 0.41 5.81 3.84 -1.26 -4.65 114.94 116.22 3ip3 s ASN 57 Ca -0.03 -0.99 0.16 0.00 0.21 0.00 0.00 52.86 52.22 3ip3 s ASN 57 Cb 0.09 -1.51 0.88 0.00 -0.55 0.00 0.00 41.25 40.15 3ip3 s ASN 57 CO 0.83 -0.09 1.88 4.11 -2.79 0.00 0.00 177.10 181.04 3ip3 h TRP 58 N 7.86 0.00 0.41 0.43 5.08 -1.88 -2.75 115.95 125.10 3ip3 h TRP 58 Ca -0.34 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.62 3ip3 h TRP 58 Cb 1.10 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.25 3ip3 h TRP 58 CO 0.55 0.30 -0.23 -1.49 -1.28 0.00 0.00 178.44 176.29 3ip3 h TRP 59 N 0.00 -0.61 0.00 0.12 4.06 -1.95 -2.25 115.95 115.31 3ip3 h TRP 59 Ca -0.00 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.94 3ip3 h TRP 59 Cb 0.59 0.21 0.00 0.00 -1.00 0.00 0.00 29.16 28.96 3ip3 h TRP 59 CO 0.00 -0.37 0.00 -1.91 -3.56 0.00 0.00 178.44 172.60 3ip3 n GLU 60 N -5.37 0.00 0.00 0.49 2.13 -1.04 -0.28 120.64 116.57 3ip3 n GLU 60 Ca -0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.71 3ip3 n GLU 60 Cb 0.27 -1.26 0.00 0.00 0.27 0.00 0.00 31.44 30.73 3ip3 n GLU 60 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3ip3 n LEU 62 N 0.86 0.00 -0.31 4.31 4.32 -0.85 -1.05 117.00 124.28 3ip3 n LEU 62 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.03 3ip3 n LEU 62 Cb 0.00 0.00 0.19 0.00 -1.62 0.00 0.00 43.42 41.99 3ip3 n LEU 62 CO 0.00 0.00 1.16 -0.08 -1.22 0.00 0.00 177.39 177.25 3ip3 h GLU 63 N 0.00 0.82 0.02 3.23 4.57 -0.92 -2.77 114.58 119.53 3ip3 h GLU 63 Ca 0.00 -0.05 -0.36 0.00 -1.18 0.00 0.00 59.36 57.77 3ip3 h GLU 63 Cb 0.00 -0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 28.35 3ip3 h GLU 63 CO 0.00 0.54 -2.23 1.63 -1.18 0.00 0.00 179.01 177.77 3ip3 n LYS 64 N -4.71 0.68 0.09 1.92 5.02 -0.22 -4.57 118.16 116.37 3ip3 n LYS 64 Ca 0.15 0.14 0.01 0.00 -2.02 0.00 0.00 58.31 56.59 3ip3 n LYS 64 Cb 0.30 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 3ip3 n LYS 64 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3ip3 h GLU 65 N 0.01 0.00 -6.63 1.97 4.39 -1.78 -3.48 114.58 109.07 3ip3 h GLU 65 Ca -0.49 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 58.68 3ip3 h GLU 65 Cb 2.07 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.72 3ip3 h GLU 65 CO 0.01 0.43 -0.97 1.63 -1.16 0.00 0.00 179.01 178.95 3ip3 n LYS 66 N -3.08 -1.02 -1.74 2.33 4.76 -1.05 -4.90 118.16 113.47 3ip3 n LYS 66 Ca -0.03 0.26 -0.35 0.00 -2.87 0.00 0.00 58.31 55.32 3ip3 n LYS 66 Cb 0.79 -3.45 0.06 0.00 -1.84 0.00 0.00 35.03 30.59 3ip3 n LYS 66 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3ip3 s PRO 67 N -6.77 2.59 0.13 1.97 0.04 -1.26 -4.93 135.00 126.77 3ip3 s PRO 67 Ca 0.39 1.78 0.14 0.00 0.04 0.00 0.00 61.00 63.36 3ip3 s PRO 67 Cb -0.18 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 3ip3 s PRO 67 CO 0.92 -1.49 1.08 -0.44 0.04 0.00 0.00 177.00 177.11 3ip3 h ASP 68 N 0.31 0.00 -3.94 6.66 3.32 -1.63 -3.46 116.42 117.67 3ip3 h ASP 68 Ca -0.49 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.14 3ip3 h ASP 68 Cb 1.30 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.55 3ip3 h ASP 68 CO 0.53 0.66 -0.79 -0.63 -1.72 0.00 0.00 179.24 177.29 3ip3 s ILE 69 N -2.87 0.80 -0.10 0.35 1.01 -0.93 -2.32 121.20 117.14 3ip3 s ILE 69 Ca -0.00 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.28 3ip3 s ILE 69 Cb 0.08 -0.69 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 3ip3 s ILE 69 CO 0.79 0.24 -0.21 -0.22 0.00 0.00 0.00 174.94 175.54 3ip3 s LEU 70 N -0.02 2.27 -0.32 2.97 2.96 0.11 -2.17 118.68 124.49 3ip3 s LEU 70 Ca 0.00 -0.48 -0.10 0.00 -0.22 0.00 0.00 54.13 53.33 3ip3 s LEU 70 Cb -0.06 -1.46 -0.01 0.00 0.50 0.00 0.00 46.19 45.16 3ip3 s LEU 70 CO 0.00 0.19 0.17 -0.69 -1.32 0.00 0.00 176.35 174.70 3ip3 s VAL 71 N 0.19 4.75 -0.23 1.68 1.01 -0.02 -0.41 120.40 127.36 3ip3 s VAL 71 Ca -0.12 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 3ip3 s VAL 71 Cb -0.16 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 3ip3 s VAL 71 CO 0.07 0.05 -0.04 -0.63 0.00 0.00 0.00 175.10 174.54 3ip3 s ILE 72 N 1.64 3.31 -0.47 2.22 1.01 -0.19 0.24 121.20 128.96 3ip3 s ILE 72 Ca 0.05 -0.57 0.06 0.00 0.00 0.00 0.00 60.65 60.19 3ip3 s ILE 72 Cb -0.17 -2.53 0.27 0.00 0.01 0.00 0.00 42.46 40.03 3ip3 s ILE 72 CO 0.07 0.38 0.93 -0.46 0.00 0.00 0.00 174.94 175.87 3ip3 n ASN 73 N 4.78 -2.42 0.00 3.58 2.04 0.13 -1.05 115.26 122.32 3ip3 n ASN 73 Ca -0.18 -3.38 0.00 0.00 -0.44 0.00 0.00 54.58 50.58 3ip3 n ASN 73 Cb 0.50 1.63 0.00 0.00 -2.53 0.00 0.00 39.78 39.38 3ip3 n ASN 73 CO 0.00 0.00 0.00 1.07 -0.44 0.00 0.00 177.26 177.89 3ip3 n THR 74 N 1.20 0.00 -1.66 5.53 5.66 -1.25 -1.03 114.28 122.73 3ip3 n THR 74 Ca 0.09 0.00 -0.60 0.00 -3.05 0.00 0.00 64.05 60.50 3ip3 n THR 74 Cb 0.65 -0.23 -0.08 0.00 -1.55 0.00 0.00 70.33 69.12 3ip3 n THR 74 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3ip3 n VAL 75 N 0.00 0.10 -0.22 1.08 0.31 -1.26 -4.70 118.33 113.64 3ip3 n VAL 75 Ca 0.00 -0.02 0.03 0.00 -0.01 0.00 0.00 64.34 64.34 3ip3 n VAL 75 Cb 0.00 -0.72 0.13 0.00 -0.91 0.00 0.00 33.84 32.34 3ip3 n VAL 75 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3ip3 h PHE 76 N 5.30 0.04 0.00 3.52 0.04 -1.87 0.12 116.94 124.09 3ip3 h PHE 76 Ca -0.47 0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.33 3ip3 h PHE 76 Cb 1.36 0.09 -0.00 0.00 2.20 0.00 0.00 35.95 39.59 3ip3 h PHE 76 CO 0.67 -0.15 -0.09 0.66 -0.60 0.00 0.00 178.31 178.80 3ip3 h SER 77 N 0.15 0.00 1.54 2.17 4.64 -1.58 -2.41 113.55 118.06 3ip3 h SER 77 Ca 0.35 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.64 3ip3 h SER 77 Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 3ip3 h SER 77 CO -0.54 0.09 -0.47 0.25 -0.87 0.00 0.00 176.83 175.29 3ip3 h LEU 78 N 0.00 0.00 -0.93 5.97 5.85 -1.08 -3.37 115.31 121.76 3ip3 h LEU 78 Ca -0.00 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.78 3ip3 h LEU 78 Cb 0.35 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 3ip3 h LEU 78 CO 0.01 0.14 0.59 0.78 -0.34 0.00 0.00 178.44 179.62 3ip3 h ASN 79 N 0.00 0.94 0.15 1.25 2.35 -1.01 -1.41 115.58 117.85 3ip3 h ASN 79 Ca -0.01 0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.60 3ip3 h ASN 79 Cb 1.12 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 3ip3 h ASN 79 CO 0.02 0.60 -0.56 1.23 -1.65 0.00 0.00 177.43 177.06 3ip3 h GLY 80 N 1.07 0.47 0.95 2.83 0.00 -1.71 -0.77 103.07 105.92 3ip3 h GLY 80 Ca 0.40 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 3ip3 h GLY 80 CO -0.17 0.50 -0.12 0.50 0.00 0.00 0.00 176.54 177.25 3ip3 h LYS 81 N 0.33 0.70 -0.08 4.80 1.57 -1.55 -1.34 116.57 121.01 3ip3 h LYS 81 Ca 0.00 -0.28 -0.13 0.00 -1.87 0.00 0.00 60.65 58.37 3ip3 h LYS 81 Cb 1.09 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 3ip3 h LYS 81 CO 0.10 0.88 -0.54 0.82 -0.57 0.00 0.00 179.45 180.13 3ip3 h ILE 82 N 0.49 1.36 -0.97 1.86 2.04 -1.30 -2.33 117.51 118.67 3ip3 h ILE 82 Ca 0.09 -1.84 0.01 0.00 1.00 0.00 0.00 64.86 64.11 3ip3 h ILE 82 Cb 0.64 1.91 -0.05 0.00 -0.74 0.00 0.00 36.82 38.57 3ip3 h ILE 82 CO 0.04 0.55 0.63 0.25 0.00 0.00 0.00 178.15 179.62 3ip3 h LEU 83 N 0.18 1.13 0.41 1.44 5.85 -0.95 -1.38 115.31 121.99 3ip3 h LEU 83 Ca 0.00 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3ip3 h LEU 83 Cb 1.02 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3ip3 h LEU 83 CO 0.08 0.83 -0.36 0.25 -0.34 0.00 0.00 178.44 178.90 3ip3 h LEU 84 N 1.32 -0.97 -0.55 2.25 5.85 -0.72 -1.24 115.31 121.24 3ip3 h LEU 84 Ca 0.35 0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.25 3ip3 h LEU 84 Cb -0.13 0.32 -0.11 0.00 0.37 0.00 0.00 40.66 41.11 3ip3 h LEU 84 CO -0.07 -0.52 -0.33 -0.33 -0.34 0.00 0.00 178.44 176.84 3ip3 h GLU 85 N -0.78 -0.17 -0.72 1.25 4.39 -1.34 -0.58 114.58 116.63 3ip3 h GLU 85 Ca -0.04 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.76 3ip3 h GLU 85 Cb 0.69 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.31 3ip3 h GLU 85 CO -0.04 -0.11 0.38 0.00 -1.16 0.00 0.00 179.01 178.08 3ip3 h ALA 86 N 0.95 0.99 -0.38 3.43 0.00 -0.84 -0.53 119.26 122.88 3ip3 h ALA 86 Ca 0.22 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3ip3 h ALA 86 Cb 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3ip3 h ALA 86 CO -0.65 0.02 0.01 -0.07 0.00 0.00 0.00 179.25 178.56 3ip3 h LEU 87 N 0.67 0.66 -0.43 0.00 3.38 -0.83 0.12 115.31 118.88 3ip3 h LEU 87 Ca 0.34 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 58.07 3ip3 h LEU 87 Cb 0.30 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3ip3 h LEU 87 CO -0.23 0.80 0.11 -0.33 0.09 0.00 0.00 178.44 178.88 3ip3 h GLU 88 N 0.49 0.25 0.00 1.13 5.08 -0.39 -0.63 114.58 120.52 3ip3 h GLU 88 Ca 0.11 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3ip3 h GLU 88 Cb 0.46 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3ip3 h GLU 88 CO 0.02 0.17 0.00 0.54 -1.00 0.00 0.00 179.01 178.74 3ip3 n ARG 89 N -5.06 0.91 -2.59 2.33 1.74 -0.27 -4.87 116.66 108.83 3ip3 n ARG 89 Ca 0.03 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.92 3ip3 n ARG 89 Cb 0.19 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 3ip3 n ARG 89 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ip3 n LYS 90 N -0.65 -2.56 -3.16 5.56 4.01 -0.24 -4.98 118.16 116.13 3ip3 n LYS 90 Ca 0.07 0.85 -0.40 0.00 -0.51 0.00 0.00 58.31 58.32 3ip3 n LYS 90 Cb 0.03 -5.55 -0.06 0.00 -0.51 0.00 0.00 35.03 28.94 3ip3 n LYS 90 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3ip3 s ILE 91 N -2.96 5.05 0.37 -0.18 1.01 0.32 -4.80 121.20 120.02 3ip3 s ILE 91 Ca 0.09 1.10 -0.27 0.00 0.00 0.00 0.00 60.65 61.57 3ip3 s ILE 91 Cb -0.04 -3.91 -0.12 0.00 0.01 0.00 0.00 42.46 38.41 3ip3 s ILE 91 CO 0.11 0.13 1.18 1.41 0.00 0.00 0.00 174.94 177.77 3ip3 n HIS 92 N 4.95 1.86 -4.34 3.97 8.25 -0.98 -4.33 115.22 124.60 3ip3 n HIS 92 Ca -0.03 0.57 -0.19 0.00 -0.26 0.00 0.00 57.72 57.81 3ip3 n HIS 92 Cb 0.50 -2.34 -0.15 0.00 1.12 0.00 0.00 29.99 29.12 3ip3 n HIS 92 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ip3 s ALA 93 N -1.15 0.77 -0.29 -1.41 0.00 -0.92 0.08 121.76 118.83 3ip3 s ALA 93 Ca 0.59 -0.32 -0.00 0.00 0.00 0.00 0.00 51.96 52.23 3ip3 s ALA 93 Cb -0.57 -0.26 0.06 0.00 0.00 0.00 0.00 23.12 22.34 3ip3 s ALA 93 CO 0.60 0.14 -0.02 0.12 0.00 0.00 0.00 175.76 176.59 3ip3 s PHE 94 N 0.09 3.28 0.01 0.00 5.36 0.45 -2.02 117.98 125.14 3ip3 s PHE 94 Ca -0.01 -2.04 0.08 0.00 -0.96 0.00 0.00 56.93 54.01 3ip3 s PHE 94 Cb -0.07 -2.10 -0.02 0.00 -0.34 0.00 0.00 43.02 40.48 3ip3 s PHE 94 CO 0.00 -0.83 -0.25 0.54 -1.46 0.00 0.00 175.22 173.21 3ip3 s VAL 95 N 1.20 2.15 0.35 3.12 0.11 -0.51 -1.02 120.40 125.81 3ip3 s VAL 95 Ca -0.06 -1.21 -0.28 0.00 -2.93 0.00 0.00 61.98 57.50 3ip3 s VAL 95 Cb -0.20 -1.79 -0.11 0.00 -1.53 0.00 0.00 36.38 32.76 3ip3 s VAL 95 CO -0.02 0.48 1.38 -0.70 -3.33 0.00 0.00 175.10 172.92 3ip3 s GLU 96 N -0.90 4.25 0.47 1.54 2.56 -0.22 -4.09 118.70 122.30 3ip3 s GLU 96 Ca 0.11 2.37 -0.22 0.00 0.00 0.00 0.00 54.97 57.23 3ip3 s GLU 96 Cb -0.10 -3.03 -0.08 0.00 2.00 0.00 0.00 34.13 32.92 3ip3 s GLU 96 CO 0.01 -0.34 1.08 -1.59 -0.56 0.00 0.00 175.26 173.86 3ip3 s LYS 97 N -1.93 3.82 0.59 4.30 0.00 -1.26 -3.99 119.74 121.27 3ip3 s LYS 97 Ca 0.51 1.52 -0.16 0.00 0.00 0.00 0.00 55.97 57.83 3ip3 s LYS 97 Cb -0.43 -2.26 -0.04 0.00 0.00 0.00 0.00 37.83 35.11 3ip3 s LYS 97 CO 0.57 -0.45 1.06 -1.25 0.00 0.00 0.00 175.35 175.29 3ip3 s PRO 98 N -2.95 3.32 0.00 1.78 0.04 -1.26 -4.91 135.00 131.02 3ip3 s PRO 98 Ca 0.65 1.25 0.23 0.00 0.04 0.00 0.00 61.00 63.17 3ip3 s PRO 98 Cb -0.21 -2.03 1.06 0.00 0.04 0.00 0.00 34.50 33.36 3ip3 s PRO 98 CO 0.26 -0.82 1.74 0.44 0.04 0.00 0.00 177.00 178.66 3ip3 n ILE 99 N -1.93 0.37 -3.46 0.56 -5.35 -1.26 -4.74 119.36 103.55 3ip3 n ILE 99 Ca 0.09 0.09 -0.14 0.00 -0.27 0.00 0.00 62.75 62.52 3ip3 n ILE 99 Cb 0.53 -0.71 -0.04 0.00 -1.74 0.00 0.00 39.64 37.68 3ip3 n ILE 99 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ip3 s ALA 100 N -2.79 -1.63 -0.83 -1.28 0.00 -1.26 -3.31 121.76 110.66 3ip3 s ALA 100 Ca 0.16 0.75 0.08 0.00 0.00 0.00 0.00 51.96 52.95 3ip3 s ALA 100 Cb 0.15 0.57 0.14 0.00 0.00 0.00 0.00 23.12 23.98 3ip3 s ALA 100 CO 0.38 -0.62 0.96 0.25 0.00 0.00 0.00 175.76 176.73 3ip3 n THR 101 N 0.08 0.49 -3.97 0.00 -2.24 -1.26 -4.95 114.28 102.43 3ip3 n THR 101 Ca -0.18 -0.74 -0.09 0.00 -2.27 0.00 0.00 64.05 60.77 3ip3 n THR 101 Cb 0.62 0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 69.59 3ip3 n THR 101 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ip3 s THR 102 N -0.83 0.15 0.36 4.28 -4.23 -1.26 -4.90 115.64 109.21 3ip3 s THR 102 Ca 0.13 -1.21 0.06 0.00 -1.18 0.00 0.00 61.69 59.49 3ip3 s THR 102 Cb 0.08 -0.89 0.17 0.00 1.34 0.00 0.00 72.50 73.19 3ip3 s THR 102 CO 0.11 -0.67 1.90 -0.26 -0.54 0.00 0.00 174.62 175.16 3ip3 h PHE 103 N 3.77 0.45 0.29 3.99 0.04 -1.99 -1.98 116.94 121.51 3ip3 h PHE 103 Ca -0.33 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.40 3ip3 h PHE 103 Cb 1.18 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 39.17 3ip3 h PHE 103 CO 0.57 0.47 -0.47 0.93 -0.60 0.00 0.00 178.31 179.20 3ip3 h GLU 104 N 0.42 -0.79 -0.47 1.51 5.08 -1.99 0.11 114.58 118.45 3ip3 h GLU 104 Ca 0.09 0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3ip3 h GLU 104 Cb 0.31 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3ip3 h GLU 104 CO 0.01 -0.53 0.10 -0.44 -1.00 0.00 0.00 179.01 177.15 3ip3 h ASP 105 N -0.82 0.67 -0.64 1.42 3.32 -1.95 -1.12 116.42 117.30 3ip3 h ASP 105 Ca -0.02 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 3ip3 h ASP 105 Cb 0.77 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 3ip3 h ASP 105 CO -0.17 0.67 0.17 0.25 -1.72 0.00 0.00 179.24 178.45 3ip3 h LEU 106 N 0.69 0.97 0.21 1.55 5.85 -1.12 -2.59 115.31 120.88 3ip3 h LEU 106 Ca 0.15 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3ip3 h LEU 106 Cb 0.28 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3ip3 h LEU 106 CO 0.00 0.93 -0.10 -0.08 -0.34 0.00 0.00 178.44 178.85 3ip3 h GLU 107 N 0.99 -0.28 -0.98 1.25 4.57 0.46 -1.26 114.58 119.34 3ip3 h GLU 107 Ca 0.21 0.02 0.20 0.00 -1.18 0.00 0.00 59.36 58.61 3ip3 h GLU 107 Cb 0.33 0.06 -0.11 0.00 -0.16 0.00 0.00 28.75 28.87 3ip3 h GLU 107 CO -0.00 -0.06 0.57 0.87 -1.18 0.00 0.00 179.01 179.21 3ip3 h LYS 108 N -0.45 0.66 -0.16 1.92 1.57 -1.39 -0.19 116.57 118.53 3ip3 h LYS 108 Ca -0.03 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3ip3 h LYS 108 Cb 0.34 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3ip3 h LYS 108 CO 0.05 0.44 0.01 0.82 -0.57 0.00 0.00 179.45 180.20 3ip3 h ILE 109 N 0.68 1.24 -0.78 1.86 2.04 -0.99 -1.19 117.51 120.38 3ip3 h ILE 109 Ca 0.58 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 3ip3 h ILE 109 Cb 0.96 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.45 3ip3 h ILE 109 CO -0.41 0.23 0.32 -0.09 0.00 0.00 0.00 178.15 178.20 3ip3 h ARG 110 N 0.03 1.16 1.00 2.37 2.43 -0.76 -0.42 114.38 120.20 3ip3 h ARG 110 Ca 0.05 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 58.97 3ip3 h ARG 110 Cb 0.34 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3ip3 h ARG 110 CO 0.01 0.93 -0.48 1.03 -1.51 0.00 0.00 179.97 179.94 3ip3 h SER 111 N 1.13 -1.14 -0.71 -3.80 0.87 -0.93 -2.69 113.55 106.28 3ip3 h SER 111 Ca 0.26 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 3ip3 h SER 111 Cb 0.19 0.30 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 3ip3 h SER 111 CO -0.02 -0.81 0.35 0.58 -0.53 0.00 0.00 176.83 176.39 3ip3 h VAL 112 N -1.36 1.23 0.00 2.23 2.07 -1.17 -2.43 116.25 116.83 3ip3 h VAL 112 Ca -0.14 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 3ip3 h VAL 112 Cb 1.03 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3ip3 h VAL 112 CO 0.23 0.27 -0.08 0.22 0.02 0.00 0.00 177.57 178.23 3ip3 h TYR 113 N 0.99 0.00 -0.47 1.57 3.20 -1.08 -2.21 116.97 118.96 3ip3 h TYR 113 Ca 0.25 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.02 3ip3 h TYR 113 Cb 0.11 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3ip3 h TYR 113 CO 0.01 0.08 -0.08 -0.56 -1.64 0.00 0.00 178.16 175.96 3ip3 h GLN 114 N 0.00 0.89 0.04 1.82 3.07 -1.08 0.32 115.11 120.17 3ip3 h GLN 114 Ca -0.00 -0.33 0.00 0.00 0.09 0.00 0.00 58.65 58.42 3ip3 h GLN 114 Cb 0.19 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.68 3ip3 h GLN 114 CO 0.01 0.97 -0.04 0.87 0.09 0.00 0.00 178.83 180.73 3ip3 h LYS 115 N 0.74 -0.09 -0.05 0.06 6.56 -1.44 -3.27 116.57 119.07 3ip3 h LYS 115 Ca 0.12 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 3ip3 h LYS 115 Cb 0.62 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.30 3ip3 h LYS 115 CO 0.04 -0.06 0.00 1.33 -2.06 0.00 0.00 179.45 178.70 3ip3 n VAL 116 N -5.15 0.04 -0.55 0.50 0.24 -0.94 -4.58 118.33 107.90 3ip3 n VAL 116 Ca -0.07 -0.39 0.46 0.00 -2.04 0.00 0.00 64.34 62.30 3ip3 n VAL 116 Cb 0.08 0.95 0.78 0.00 -1.47 0.00 0.00 33.84 34.18 3ip3 n VAL 116 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3ip3 h ARG 117 N 3.47 0.00 0.00 7.34 2.43 -0.98 -1.45 114.38 125.19 3ip3 h ARG 117 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ip3 h ARG 117 Cb 0.74 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 3ip3 h ARG 117 CO 0.00 0.00 -0.91 0.09 -1.51 0.00 0.00 179.97 177.64 3ip3 n ASN 118 N -3.97 0.63 -0.12 -3.80 4.13 -1.26 -4.35 115.26 106.52 3ip3 n ASN 118 Ca 0.37 -0.23 -0.22 0.00 1.68 0.00 0.00 54.58 56.17 3ip3 n ASN 118 Cb 1.73 0.67 -0.09 0.00 -1.54 0.00 0.00 39.78 40.55 3ip3 n ASN 118 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3ip3 n GLU 119 N -1.89 0.52 -4.62 3.52 1.02 -0.57 -5.04 120.64 113.59 3ip3 n GLU 119 Ca 0.03 0.19 -0.34 0.00 -0.02 0.00 0.00 57.16 57.02 3ip3 n GLU 119 Cb 0.42 -1.38 -0.12 0.00 -0.02 0.00 0.00 31.44 30.34 3ip3 n GLU 119 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3ip3 s VAL 120 N -2.44 3.64 0.03 2.62 0.11 -1.06 -5.02 120.40 118.27 3ip3 s VAL 120 Ca -0.32 -0.49 -0.00 0.00 -2.93 0.00 0.00 61.98 58.23 3ip3 s VAL 120 Cb 0.11 -2.50 -0.04 0.00 -1.53 0.00 0.00 36.38 32.42 3ip3 s VAL 120 CO 0.45 0.58 0.15 0.12 -3.33 0.00 0.00 175.10 173.06 3ip3 s PHE 121 N -0.53 3.41 0.05 1.54 5.36 -1.26 -4.61 117.98 121.94 3ip3 s PHE 121 Ca 0.08 0.23 -0.08 0.00 -0.96 0.00 0.00 56.93 56.20 3ip3 s PHE 121 Cb -0.12 -1.74 -0.00 0.00 -0.34 0.00 0.00 43.02 40.81 3ip3 s PHE 121 CO 0.02 0.58 0.16 -0.59 -1.46 0.00 0.00 175.22 173.93 3ip3 s PHE 122 N -1.37 0.14 0.20 10.12 -0.71 -1.26 -2.17 117.98 122.93 3ip3 s PHE 122 Ca 0.29 -0.46 -0.21 0.00 -1.04 0.00 0.00 56.93 55.52 3ip3 s PHE 122 Cb -0.13 -0.09 0.04 0.00 -1.21 0.00 0.00 43.02 41.64 3ip3 s PHE 122 CO 0.21 -0.44 0.60 -0.08 -1.34 0.00 0.00 175.22 174.17 3ip3 s THR 123 N -3.00 0.01 0.00 -4.49 -1.32 -0.86 -3.55 115.64 102.43 3ip3 s THR 123 Ca -0.02 -0.50 0.00 0.00 -1.21 0.00 0.00 61.69 59.96 3ip3 s THR 123 Cb 0.01 -1.43 0.00 0.00 -1.51 0.00 0.00 72.50 69.57 3ip3 s THR 123 CO -0.06 -0.04 0.00 0.00 -2.21 0.00 0.00 174.62 172.30 3ip3 n ALA 124 N -0.39 0.06 0.00 11.08 0.00 -1.26 -1.42 120.51 128.58 3ip3 n ALA 124 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3ip3 n ALA 124 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 3ip3 n ALA 124 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ip3 n PHE 126 N 0.00 0.00 0.23 0.00 3.72 -1.26 -4.85 117.46 115.29 3ip3 n PHE 126 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 3ip3 n PHE 126 Cb 0.00 0.00 0.35 0.00 -0.94 0.00 0.00 39.48 38.89 3ip3 n PHE 126 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3ip3 h GLY 127 N 0.00 0.00 1.77 1.37 0.00 -2.00 -3.20 103.07 101.00 3ip3 h GLY 127 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 3ip3 h GLY 127 CO 0.00 0.00 0.12 -2.22 0.00 0.00 0.00 176.54 174.44 3ip3 h ILE 128 N 0.00 1.00 -0.98 2.60 2.04 -1.99 -1.47 117.51 118.71 3ip3 h ILE 128 Ca -0.00 -0.05 0.24 0.00 1.00 0.00 0.00 64.86 66.05 3ip3 h ILE 128 Cb 0.86 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 3ip3 h ILE 128 CO 0.01 0.03 0.65 0.03 0.00 0.00 0.00 178.15 178.86 3ip3 h ARG 129 N 0.15 0.35 -0.00 2.37 3.08 -1.97 -2.61 114.38 115.74 3ip3 h ARG 129 Ca 0.07 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3ip3 h ARG 129 Cb 0.10 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3ip3 h ARG 129 CO -0.01 0.23 -0.11 0.66 -1.07 0.00 0.00 179.97 179.67 3ip3 n TYR 130 N -4.52 0.00 -2.45 3.04 4.02 -0.55 -2.93 117.16 113.77 3ip3 n TYR 130 Ca 0.22 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.73 3ip3 n TYR 130 Cb 0.82 -0.17 -0.03 0.00 -0.02 0.00 0.00 39.34 39.94 3ip3 n TYR 130 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3ip3 s ARG 131 N -2.44 4.20 0.24 -0.72 0.52 -0.99 -0.90 118.95 118.87 3ip3 s ARG 131 Ca 0.30 1.67 -0.13 0.00 -0.52 0.00 0.00 55.73 57.05 3ip3 s ARG 131 Cb 0.20 -2.69 0.32 0.00 0.52 0.00 0.00 34.95 33.30 3ip3 s ARG 131 CO 0.47 -0.15 1.58 -1.35 0.02 0.00 0.00 175.30 175.87 3ip3 h PRO 132 N 2.76 -0.02 -0.70 3.54 0.11 -1.87 -1.30 132.00 134.52 3ip3 h PRO 132 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3ip3 h PRO 132 Cb 1.22 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 3ip3 h PRO 132 CO 0.63 -0.01 0.38 1.12 -0.21 0.00 0.00 178.00 179.90 3ip3 h HIS 133 N -0.02 0.95 0.13 0.65 2.07 -1.90 -0.65 115.15 116.38 3ip3 h HIS 133 Ca 0.38 -0.02 -0.23 0.00 -2.85 0.00 0.00 60.37 57.65 3ip3 h HIS 133 Cb 0.61 -0.31 0.02 0.00 2.57 0.00 0.00 27.41 30.31 3ip3 h HIS 133 CO -0.70 0.66 -0.99 0.74 -3.07 0.00 0.00 177.93 174.57 3ip3 h PHE 134 N 0.97 0.76 -0.72 6.12 0.04 -1.58 -2.23 116.94 120.30 3ip3 h PHE 134 Ca 0.25 -0.50 0.08 0.00 2.80 0.00 0.00 57.97 60.60 3ip3 h PHE 134 Cb 0.03 -0.05 -0.07 0.00 2.20 0.00 0.00 35.95 38.07 3ip3 h PHE 134 CO 0.01 1.36 0.38 -0.07 -0.60 0.00 0.00 178.31 179.39 3ip3 h LEU 135 N -0.06 0.53 -0.16 1.54 3.38 -1.15 -1.62 115.31 117.76 3ip3 h LEU 135 Ca -0.16 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3ip3 h LEU 135 Cb 1.73 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 3ip3 h LEU 135 CO 0.19 0.32 0.10 0.74 0.09 0.00 0.00 178.44 179.88 3ip3 h THR 136 N 0.67 1.03 -0.33 0.22 2.02 -1.10 -1.29 112.91 114.13 3ip3 h THR 136 Ca 0.34 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.47 3ip3 h THR 136 Cb 0.31 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3ip3 h THR 136 CO -0.24 0.04 0.17 0.00 0.37 0.00 0.00 175.52 175.87 3ip3 h ALA 137 N 1.06 0.40 -0.91 6.16 0.00 -1.08 -0.86 119.26 124.04 3ip3 h ALA 137 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3ip3 h ALA 137 Cb -0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3ip3 h ALA 137 CO -0.02 -0.20 0.60 -0.22 0.00 0.00 0.00 179.25 179.41 3ip3 h LYS 138 N 0.36 1.16 -0.15 0.00 1.63 -1.13 -1.76 116.57 116.67 3ip3 h LYS 138 Ca 0.13 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.85 3ip3 h LYS 138 Cb 0.03 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.39 3ip3 h LYS 138 CO -0.08 0.77 0.02 -0.22 -3.45 0.00 0.00 179.45 176.49 3ip3 h LYS 139 N 1.19 0.25 -0.33 1.90 3.64 -0.51 -0.92 116.57 121.80 3ip3 h LYS 139 Ca 0.35 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.71 3ip3 h LYS 139 Cb -0.08 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.66 3ip3 h LYS 139 CO -0.09 0.44 0.01 -0.07 -2.27 0.00 0.00 179.45 177.46 3ip3 h LEU 140 N 0.03 -0.12 0.18 5.20 3.38 -1.07 -1.20 115.31 121.72 3ip3 h LEU 140 Ca 0.05 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ip3 h LEU 140 Cb 0.31 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3ip3 h LEU 140 CO 0.00 -0.02 -0.18 0.58 0.09 0.00 0.00 178.44 178.91 3ip3 h VAL 141 N 0.10 0.60 -0.25 1.22 2.07 -1.15 -2.02 116.25 116.81 3ip3 h VAL 141 Ca 0.16 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.75 3ip3 h VAL 141 Cb 0.21 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3ip3 h VAL 141 CO -0.26 0.00 0.18 0.28 0.02 0.00 0.00 177.57 177.79 3ip3 h SER 142 N -0.40 0.00 -0.29 0.57 0.02 -0.96 -0.15 113.55 112.34 3ip3 h SER 142 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ip3 h SER 142 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3ip3 h SER 142 CO -0.05 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.02 3ip3 n GLU 143 N -4.43 1.97 -0.66 3.45 1.02 -0.47 -4.94 120.64 116.58 3ip3 n GLU 143 Ca 0.03 -1.48 0.00 0.00 -0.02 0.00 0.00 57.16 55.69 3ip3 n GLU 143 Cb 0.34 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 3ip3 n GLU 143 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ip3 n GLY 144 N 1.23 0.62 0.25 0.62 0.00 -0.07 -4.97 105.19 102.87 3ip3 n GLY 144 Ca 0.16 -0.48 0.09 0.00 0.00 0.00 0.00 46.02 45.80 3ip3 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ip3 h ALA 145 N 0.00 1.48 -0.02 4.61 0.00 -1.54 -1.96 119.26 121.83 3ip3 h ALA 145 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ip3 h ALA 145 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ip3 h ALA 145 CO 0.00 0.18 -0.23 1.33 0.00 0.00 0.00 179.25 180.54 3ip3 n VAL 146 N -3.97 0.00 -2.84 0.00 0.24 -1.26 -4.04 118.33 106.47 3ip3 n VAL 146 Ca -0.02 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 3ip3 n VAL 146 Cb 0.23 1.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 3ip3 n VAL 146 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ip3 n GLY 147 N 1.15 1.26 3.76 7.63 0.00 -0.74 -0.35 105.19 117.90 3ip3 n GLY 147 Ca 0.09 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 3ip3 n GLY 147 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ip3 s GLU 148 N 0.00 4.45 0.10 1.61 2.12 -1.26 -4.78 118.70 120.94 3ip3 s GLU 148 Ca 0.00 0.98 -0.30 0.00 0.36 0.00 0.00 54.97 56.01 3ip3 s GLU 148 Cb 0.00 -3.34 -0.06 0.00 0.26 0.00 0.00 34.13 30.99 3ip3 s GLU 148 CO 0.00 0.35 1.17 0.42 -0.54 0.00 0.00 175.26 176.66 3ip3 s ILE 149 N -0.26 3.96 -0.05 -3.70 1.01 -1.26 0.15 121.20 121.05 3ip3 s ILE 149 Ca 0.36 1.50 0.05 0.00 0.00 0.00 0.00 60.65 62.56 3ip3 s ILE 149 Cb -0.20 -3.96 -0.07 0.00 0.01 0.00 0.00 42.46 38.24 3ip3 s ILE 149 CO 0.22 0.17 0.02 0.54 0.00 0.00 0.00 174.94 175.88 3ip3 n ARG 150 N 3.36 3.05 -3.66 2.79 5.12 0.35 -4.89 116.66 122.78 3ip3 n ARG 150 Ca 0.07 -0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.88 3ip3 n ARG 150 Cb 0.46 -1.14 -0.08 0.00 -1.16 0.00 0.00 32.46 30.54 3ip3 n ARG 150 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3ip3 s LEU 151 N -4.42 -0.50 -0.09 0.55 2.96 -0.94 -2.84 118.68 113.39 3ip3 s LEU 151 Ca -0.03 1.25 0.02 0.00 -0.22 0.00 0.00 54.13 55.15 3ip3 s LEU 151 Cb 0.02 2.00 0.01 0.00 0.50 0.00 0.00 46.19 48.71 3ip3 s LEU 151 CO 0.22 -0.22 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.18 3ip3 s VAL 152 N 1.14 1.54 -0.11 1.68 1.01 -0.43 -0.10 120.40 125.12 3ip3 s VAL 152 Ca -0.07 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 3ip3 s VAL 152 Cb -0.06 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3ip3 s VAL 152 CO -0.11 0.45 -0.06 0.20 0.00 0.00 0.00 175.10 175.58 3ip3 s ASN 153 N 0.71 4.67 0.05 3.32 -0.87 0.46 -0.87 114.94 122.41 3ip3 s ASN 153 Ca -0.12 -0.09 0.04 0.00 -1.57 0.00 0.00 52.86 51.11 3ip3 s ASN 153 Cb -0.16 -1.50 -0.02 0.00 -0.02 0.00 0.00 41.25 39.55 3ip3 s ASN 153 CO 0.03 0.26 -0.12 0.42 -2.57 0.00 0.00 177.10 175.11 3ip3 s THR 154 N -0.18 0.94 -0.04 1.60 -4.23 -0.22 -0.20 115.64 113.32 3ip3 s THR 154 Ca 0.03 -1.13 0.01 0.00 -1.18 0.00 0.00 61.69 59.42 3ip3 s THR 154 Cb -0.13 -0.91 0.02 0.00 1.34 0.00 0.00 72.50 72.82 3ip3 s THR 154 CO 0.03 -0.19 -0.05 -1.58 -0.54 0.00 0.00 174.62 172.28 3ip3 s GLN 155 N -1.48 0.81 -0.14 3.99 0.74 -0.41 -1.27 119.66 121.89 3ip3 s GLN 155 Ca -0.03 -0.14 0.02 0.00 0.05 0.00 0.00 55.36 55.26 3ip3 s GLN 155 Cb -0.09 -0.80 0.01 0.00 1.10 0.00 0.00 33.01 33.23 3ip3 s GLN 155 CO 0.01 -0.03 -0.20 0.15 -0.55 0.00 0.00 175.29 174.67 3ip3 s LYS 156 N 0.70 3.06 -0.18 1.67 -0.14 0.46 -1.83 119.74 123.48 3ip3 s LYS 156 Ca -0.10 -0.83 -0.05 0.00 -1.36 0.00 0.00 55.97 53.64 3ip3 s LYS 156 Cb -0.13 -2.48 0.06 0.00 -1.68 0.00 0.00 37.83 33.60 3ip3 s LYS 156 CO 0.00 -0.01 0.08 0.45 -0.76 0.00 0.00 175.35 175.11 3ip3 s SER 157 N 0.83 2.46 0.11 2.83 0.15 -1.22 -0.69 113.70 118.17 3ip3 s SER 157 Ca -0.06 -0.67 0.07 0.00 0.70 0.00 0.00 55.95 55.99 3ip3 s SER 157 Cb -0.15 -0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 63.82 3ip3 s SER 157 CO -0.02 -0.35 -0.10 -0.31 1.20 0.00 0.00 173.24 173.66 3ip3 s TYR 158 N 2.10 2.73 0.19 3.44 2.02 -0.73 -1.39 117.35 125.71 3ip3 s TYR 158 Ca 0.02 -0.16 -0.30 0.00 -0.37 0.00 0.00 57.07 56.25 3ip3 s TYR 158 Cb -0.16 -1.42 -0.09 0.00 -0.40 0.00 0.00 41.96 39.89 3ip3 s TYR 158 CO -0.10 0.43 1.29 0.15 -1.57 0.00 0.00 175.55 175.75 3ip3 s LYS 159 N -2.23 4.40 0.00 -0.62 1.02 -0.56 -2.35 119.74 119.40 3ip3 s LYS 159 Ca 0.21 2.02 0.00 0.00 0.02 0.00 0.00 55.97 58.22 3ip3 s LYS 159 Cb -0.11 -3.21 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 3ip3 s LYS 159 CO 0.14 -0.23 0.00 -0.11 -0.92 0.00 0.00 175.35 174.23 3ip3 n LEU 160 N 2.65 0.87 0.00 3.17 7.94 -1.26 -4.99 117.00 125.38 3ip3 n LEU 160 Ca 0.06 0.25 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 3ip3 n LEU 160 Cb 0.43 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 44.07 3ip3 n LEU 160 CO 0.57 -0.32 0.00 0.61 -1.11 0.00 0.00 177.39 177.15 3ip3 n GLY 161 N 2.12 0.38 3.76 -3.96 0.00 -1.26 -4.72 105.19 101.51 3ip3 n GLY 161 Ca 0.00 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 3ip3 n GLY 161 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ip3 s GLN 162 N 0.00 4.44 0.04 1.61 0.74 -1.26 -5.05 119.66 120.18 3ip3 s GLN 162 Ca 0.00 2.08 -0.00 0.00 0.05 0.00 0.00 55.36 57.49 3ip3 s GLN 162 Cb 0.00 -3.11 -0.03 0.00 1.10 0.00 0.00 33.01 30.97 3ip3 s GLN 162 CO 0.00 -0.07 -0.04 1.03 -0.55 0.00 0.00 175.29 175.66 3ip3 s ARG 163 N -1.58 0.47 0.57 1.67 1.81 -1.26 -5.14 118.95 115.49 3ip3 s ARG 163 Ca 0.48 -0.89 -0.19 0.00 -1.72 0.00 0.00 55.73 53.41 3ip3 s ARG 163 Cb -0.37 0.10 -0.06 0.00 -0.45 0.00 0.00 34.95 34.17 3ip3 s ARG 163 CO 0.48 -0.06 0.93 -2.30 -0.68 0.00 0.00 175.30 173.67 3ip3 n PRO 164 N 0.94 0.94 0.20 3.54 -0.02 -1.26 -4.85 135.00 134.50 3ip3 n PRO 164 Ca -0.20 0.36 0.17 0.00 -2.02 0.00 0.00 63.50 61.81 3ip3 n PRO 164 Cb 0.58 -2.11 0.82 0.00 -0.02 0.00 0.00 33.50 32.77 3ip3 n PRO 164 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ip3 h ASP 165 N 0.64 0.00 0.47 2.55 3.32 -2.03 -1.98 116.42 119.39 3ip3 h ASP 165 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3ip3 h ASP 165 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 3ip3 h ASP 165 CO 0.51 0.00 0.00 2.22 -1.72 0.00 0.00 179.24 180.25 3ip3 n PHE 166 N -3.84 0.60 0.31 4.55 1.16 -1.26 -1.95 117.46 117.03 3ip3 n PHE 166 Ca 0.02 0.26 0.16 0.00 -1.87 0.00 0.00 57.45 56.01 3ip3 n PHE 166 Cb 0.32 -0.91 0.71 0.00 -1.61 0.00 0.00 39.48 37.99 3ip3 n PHE 166 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 3ip3 h TYR 167 N 0.00 0.00 0.00 2.97 -1.99 -1.70 -2.90 116.97 113.36 3ip3 h TYR 167 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3ip3 h TYR 167 Cb 0.24 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.97 3ip3 h TYR 167 CO 0.00 0.00 -0.67 1.63 -0.00 0.00 0.00 178.16 179.12 3ip3 n LYS 168 N -2.78 0.17 -4.93 4.88 5.02 -0.82 -4.30 118.16 115.39 3ip3 n LYS 168 Ca 0.00 0.03 -0.33 0.00 -2.02 0.00 0.00 58.31 56.00 3ip3 n LYS 168 Cb 0.23 -1.59 -0.15 0.00 -0.02 0.00 0.00 35.03 33.50 3ip3 n LYS 168 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3ip3 s LYS 169 N -3.11 3.17 0.26 1.97 -0.14 -1.25 -0.37 119.74 120.28 3ip3 s LYS 169 Ca 0.08 -0.75 -0.03 0.00 -1.36 0.00 0.00 55.97 53.91 3ip3 s LYS 169 Cb 0.15 -2.50 0.56 0.00 -1.68 0.00 0.00 37.83 34.36 3ip3 s LYS 169 CO 0.73 0.25 1.65 -0.09 -0.76 0.00 0.00 175.35 177.13 3ip3 h ARG 170 N 6.54 0.18 -0.83 1.68 9.65 -1.86 0.21 114.38 129.95 3ip3 h ARG 170 Ca -0.26 -0.01 0.09 0.00 -1.10 0.00 0.00 59.98 58.70 3ip3 h ARG 170 Cb 1.21 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 29.69 3ip3 h ARG 170 CO 0.52 0.12 0.54 1.49 2.80 0.00 0.00 179.97 185.44 3ip3 h GLU 171 N 0.18 0.78 0.04 0.20 4.81 -1.95 0.27 114.58 118.90 3ip3 h GLU 171 Ca 0.47 -0.05 -0.36 0.00 -0.13 0.00 0.00 59.36 59.29 3ip3 h GLU 171 Cb 0.88 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.04 3ip3 h GLU 171 CO -0.63 0.52 -2.20 0.25 -0.73 0.00 0.00 179.01 176.21 3ip3 n THR 172 N -4.51 1.57 -0.02 0.32 -2.24 -0.99 -4.59 114.28 103.82 3ip3 n THR 172 Ca 0.14 -0.69 -0.16 0.00 -2.27 0.00 0.00 64.05 61.07 3ip3 n THR 172 Cb 0.31 -1.26 -0.10 0.00 -2.10 0.00 0.00 70.33 67.18 3ip3 n THR 172 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3ip3 h TYR 173 N 0.02 0.52 0.00 4.78 3.20 -0.32 -1.83 116.97 123.34 3ip3 h TYR 173 Ca -0.48 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.14 3ip3 h TYR 173 Cb 2.03 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 40.22 3ip3 h TYR 173 CO 0.03 1.02 0.00 0.41 -1.64 0.00 0.00 178.16 177.99 3ip3 n GLY 174 N 0.84 2.31 0.00 1.82 0.00 0.92 -4.69 105.19 106.38 3ip3 n GLY 174 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3ip3 n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ip3 n GLY 175 N -2.00 2.29 0.19 -0.02 0.00 -1.26 -4.53 105.19 99.85 3ip3 n GLY 175 Ca 0.00 -1.82 -0.07 0.00 0.00 0.00 0.00 46.02 44.13 3ip3 n GLY 175 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ip3 h THR 176 N 0.00 1.35 0.24 2.61 2.02 -1.91 -1.76 112.91 115.47 3ip3 h THR 176 Ca 0.00 -1.88 -0.01 0.00 0.77 0.00 0.00 66.41 65.30 3ip3 h THR 176 Cb 0.00 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 3ip3 h THR 176 CO 0.00 0.57 -0.17 0.40 0.37 0.00 0.00 175.52 176.69 3ip3 h ILE 177 N 0.28 0.65 0.00 3.11 2.04 -1.93 0.72 117.51 122.37 3ip3 h ILE 177 Ca 0.00 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 3ip3 h ILE 177 Cb 1.08 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3ip3 h ILE 177 CO 0.10 0.00 -0.35 -0.65 0.00 0.00 0.00 178.15 177.24 3ip3 h PRO 178 N -0.40 0.00 0.00 2.37 0.11 -1.78 -1.65 132.00 130.64 3ip3 h PRO 178 Ca -0.02 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 3ip3 h PRO 178 Cb 0.35 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 3ip3 h PRO 178 CO 0.01 0.35 -0.04 2.35 -0.21 0.00 0.00 178.00 180.46 3ip3 h TRP 179 N 0.00 0.00 0.09 0.65 2.91 -1.07 -3.33 115.95 115.21 3ip3 h TRP 179 Ca -0.00 0.00 -0.21 0.00 1.13 0.00 0.00 58.89 59.81 3ip3 h TRP 179 Cb 0.67 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.32 3ip3 h TRP 179 CO 0.00 0.10 -1.03 0.28 -1.03 0.00 0.00 178.44 176.76 3ip3 h VAL 180 N -1.00 1.26 0.00 2.65 2.07 -1.02 -3.39 116.25 116.83 3ip3 h VAL 180 Ca -0.00 -2.41 -0.06 0.00 0.82 0.00 0.00 66.70 65.05 3ip3 h VAL 180 Cb 0.13 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 3ip3 h VAL 180 CO -0.00 0.65 -0.29 1.23 0.02 0.00 0.00 177.57 179.18 3ip3 h GLY 181 N -0.32 0.00 1.64 2.17 0.00 -1.02 -3.14 103.07 102.40 3ip3 h GLY 181 Ca -0.22 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.13 3ip3 h GLY 181 CO 0.05 0.00 0.21 1.19 0.00 0.00 0.00 176.54 177.98 3ip3 h ILE 182 N 0.00 1.04 -0.35 2.60 2.10 -1.55 -1.62 117.51 119.72 3ip3 h ILE 182 Ca -0.00 -0.12 0.08 0.00 1.08 0.00 0.00 64.86 65.89 3ip3 h ILE 182 Cb 0.59 0.66 -0.08 0.00 -1.09 0.00 0.00 36.82 36.90 3ip3 h ILE 182 CO 0.04 0.06 -0.16 0.45 -1.08 0.00 0.00 178.15 177.46 3ip3 h HIS 183 N 0.35 -0.39 -0.01 2.19 3.86 -1.80 -0.09 115.15 119.26 3ip3 h HIS 183 Ca 0.12 0.04 -0.14 0.00 -1.16 0.00 0.00 60.37 59.23 3ip3 h HIS 183 Cb 0.05 0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 3ip3 h HIS 183 CO -0.00 -0.24 -0.64 0.00 0.86 0.00 0.00 177.93 177.92 3ip3 h ALA 184 N 1.17 0.93 -0.53 2.45 0.00 -1.53 -1.58 119.26 120.16 3ip3 h ALA 184 Ca 0.18 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 3ip3 h ALA 184 Cb 0.37 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3ip3 h ALA 184 CO -0.42 0.79 0.17 0.82 0.00 0.00 0.00 179.25 180.61 3ip3 h ILE 185 N 0.03 1.23 -0.19 0.00 2.04 -0.77 -1.22 117.51 118.62 3ip3 h ILE 185 Ca -0.01 -0.77 0.01 0.00 1.00 0.00 0.00 64.86 65.10 3ip3 h ILE 185 Cb 1.13 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 3ip3 h ILE 185 CO 0.09 0.29 0.09 -0.78 0.00 0.00 0.00 178.15 177.83 3ip3 h ASP 186 N 0.73 0.13 -0.73 1.72 3.58 -0.81 -1.17 116.42 119.87 3ip3 h ASP 186 Ca 0.17 0.01 0.11 0.00 0.42 0.00 0.00 57.03 57.75 3ip3 h ASP 186 Cb 0.27 -0.01 -0.08 0.00 1.72 0.00 0.00 39.33 41.22 3ip3 h ASP 186 CO -0.01 0.10 0.33 -0.50 -2.88 0.00 0.00 179.24 176.29 3ip3 h TRP 187 N 0.20 0.58 -0.04 0.28 6.55 -0.71 0.74 115.95 123.55 3ip3 h TRP 187 Ca 0.08 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.94 3ip3 h TRP 187 Cb 0.02 -0.15 -0.00 0.00 -0.86 0.00 0.00 29.16 28.17 3ip3 h TRP 187 CO -0.10 0.16 -0.00 0.82 -1.05 0.00 0.00 178.44 178.27 3ip3 h ILE 188 N 0.53 1.26 -0.32 1.49 2.04 -1.02 0.89 117.51 122.39 3ip3 h ILE 188 Ca 0.38 -0.80 0.06 0.00 1.00 0.00 0.00 64.86 65.50 3ip3 h ILE 188 Cb 0.48 1.73 -0.06 0.00 -0.74 0.00 0.00 36.82 38.23 3ip3 h ILE 188 CO -0.32 0.21 -0.05 -0.74 0.00 0.00 0.00 178.15 177.25 3ip3 h HIS 189 N -0.25 -0.12 -0.09 1.37 2.76 -0.77 -0.58 115.15 117.48 3ip3 h HIS 189 Ca 0.01 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 3ip3 h HIS 189 Cb 0.34 0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 3ip3 h HIS 189 CO 0.04 -0.11 -0.00 2.35 -1.30 0.00 0.00 177.93 178.91 3ip3 h TRP 190 N 0.03 0.17 -0.34 5.26 7.01 -0.79 -0.27 115.95 127.01 3ip3 h TRP 190 Ca 0.15 -0.03 -0.14 0.00 2.11 0.00 0.00 58.89 60.99 3ip3 h TRP 190 Cb 0.23 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.24 3ip3 h TRP 190 CO -0.28 0.42 -0.31 0.82 -2.79 0.00 0.00 178.44 176.30 3ip3 h ILE 191 N -0.13 1.29 0.06 2.65 1.08 -0.78 -3.32 117.51 118.35 3ip3 h ILE 191 Ca 0.02 -1.48 -0.26 0.00 -0.39 0.00 0.00 64.86 62.75 3ip3 h ILE 191 Cb 0.36 1.46 -0.02 0.00 -3.07 0.00 0.00 36.82 35.55 3ip3 h ILE 191 CO 0.00 0.49 -1.32 0.71 -0.69 0.00 0.00 178.15 177.34 3ip3 h THR 192 N 0.60 1.36 -0.50 -0.27 1.35 -1.15 -3.48 112.91 110.83 3ip3 h THR 192 Ca 0.06 -3.05 -0.21 0.00 -0.55 0.00 0.00 66.41 62.65 3ip3 h THR 192 Cb 0.89 2.77 -0.08 0.00 -1.73 0.00 0.00 68.15 70.00 3ip3 h THR 192 CO 0.08 0.83 -0.19 0.61 -0.25 0.00 0.00 175.52 176.60 3ip3 n GLY 193 N 1.51 1.12 3.75 5.82 0.00 -0.11 -5.00 105.19 112.28 3ip3 n GLY 193 Ca -0.09 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 3ip3 n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ip3 s LYS 194 N -2.71 2.74 0.44 1.61 1.02 -1.26 -5.09 119.74 116.49 3ip3 s LYS 194 Ca 0.00 -0.91 -0.17 0.00 0.02 0.00 0.00 55.97 54.91 3ip3 s LYS 194 Cb 0.00 -2.57 -0.09 0.00 -0.52 0.00 0.00 37.83 34.65 3ip3 s LYS 194 CO 0.00 0.49 0.91 0.15 -0.92 0.00 0.00 175.35 175.98 3ip3 s LYS 195 N -2.91 4.05 -0.24 1.68 1.02 -1.26 -4.82 119.74 117.26 3ip3 s LYS 195 Ca 0.29 0.92 -0.15 0.00 0.02 0.00 0.00 55.97 57.05 3ip3 s LYS 195 Cb -0.10 -2.23 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 3ip3 s LYS 195 CO 0.22 -0.08 0.37 -0.06 -0.92 0.00 0.00 175.35 174.88 3ip3 s PHE 196 N -2.32 3.31 -0.18 3.18 0.40 -1.26 -1.87 117.98 119.24 3ip3 s PHE 196 Ca 0.58 0.49 -0.15 0.00 -0.60 0.00 0.00 56.93 57.25 3ip3 s PHE 196 Cb -0.10 -2.54 -0.21 0.00 0.51 0.00 0.00 43.02 40.68 3ip3 s PHE 196 CO 0.22 -0.11 0.24 1.28 0.70 0.00 0.00 175.22 177.54 3ip3 n LEU 197 N 4.89 2.17 -3.63 -0.37 4.77 0.11 -3.14 117.00 121.80 3ip3 n LEU 197 Ca -0.09 0.33 -0.10 0.00 -0.03 0.00 0.00 56.01 56.12 3ip3 n LEU 197 Cb 0.51 -1.02 -0.04 0.00 -2.33 0.00 0.00 43.42 40.54 3ip3 n LEU 197 CO 0.38 0.52 0.18 -0.94 -1.33 0.00 0.00 177.39 176.20 3ip3 s SER 198 N -6.95 -0.25 -0.01 -1.43 1.04 -1.06 0.03 113.70 105.07 3ip3 s SER 198 Ca -0.27 -0.32 0.02 0.00 0.48 0.00 0.00 55.95 55.85 3ip3 s SER 198 Cb 0.07 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.67 3ip3 s SER 198 CO 0.65 -0.88 -0.05 0.54 0.98 0.00 0.00 173.24 174.48 3ip3 s VAL 199 N -3.81 0.43 -0.14 5.02 0.11 -0.08 -1.43 120.40 120.50 3ip3 s VAL 199 Ca 0.04 -0.22 0.02 0.00 -2.93 0.00 0.00 61.98 58.89 3ip3 s VAL 199 Cb 0.01 -0.38 0.01 0.00 -1.53 0.00 0.00 36.38 34.49 3ip3 s VAL 199 CO -0.11 0.13 -0.20 -0.47 -3.33 0.00 0.00 175.10 171.12 3ip3 s TYR 200 N -0.02 2.70 0.03 1.54 5.04 0.01 -1.13 117.35 125.51 3ip3 s TYR 200 Ca 0.01 -1.26 -0.00 0.00 -2.44 0.00 0.00 57.07 53.37 3ip3 s TYR 200 Cb -0.03 -1.83 -0.03 0.00 0.35 0.00 0.00 41.96 40.42 3ip3 s TYR 200 CO -0.00 -0.57 -0.03 0.00 -1.34 0.00 0.00 175.55 173.61 3ip3 s ALA 201 N 0.80 0.24 0.08 3.97 0.00 -1.26 0.24 121.76 125.83 3ip3 s ALA 201 Ca -0.07 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.12 3ip3 s ALA 201 Cb -0.16 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 3ip3 s ALA 201 CO -0.01 -0.23 -0.07 0.95 0.00 0.00 0.00 175.76 176.40 3ip3 s THR 202 N -2.26 0.64 0.12 0.00 -4.23 -0.47 -2.70 115.64 106.74 3ip3 s THR 202 Ca -0.09 -1.73 -0.09 0.00 -1.18 0.00 0.00 61.69 58.60 3ip3 s THR 202 Cb -0.04 -1.43 -0.00 0.00 1.34 0.00 0.00 72.50 72.37 3ip3 s THR 202 CO -0.04 -0.77 0.24 -1.38 -0.54 0.00 0.00 174.62 172.13 3ip3 s HIS 203 N -3.12 0.22 -0.01 3.99 -3.43 -1.26 -1.18 115.29 110.49 3ip3 s HIS 203 Ca 0.07 -0.62 0.01 0.00 -0.80 0.00 0.00 55.06 53.71 3ip3 s HIS 203 Cb 0.02 -0.04 0.01 0.00 -1.43 0.00 0.00 32.58 31.14 3ip3 s HIS 203 CO -0.04 -0.62 -0.01 0.45 -2.00 0.00 0.00 174.74 172.52 3ip3 s SER 204 N -2.90 0.31 -0.03 7.38 0.15 -0.44 -4.97 113.70 113.20 3ip3 s SER 204 Ca 0.09 -0.03 0.18 0.00 0.70 0.00 0.00 55.95 56.89 3ip3 s SER 204 Cb 0.04 -0.09 0.55 0.00 -1.71 0.00 0.00 66.02 64.81 3ip3 s SER 204 CO -0.07 -0.02 1.47 -2.11 1.20 0.00 0.00 173.24 173.71 3ip3 n ARG 205 N 3.43 2.96 -2.10 5.44 1.85 -1.26 -0.58 116.66 126.40 3ip3 n ARG 205 Ca -0.18 -2.53 -0.40 0.00 -1.00 0.00 0.00 57.85 53.74 3ip3 n ARG 205 Cb 0.56 -1.55 -0.01 0.00 -1.05 0.00 0.00 32.46 30.41 3ip3 n ARG 205 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3ip3 s LEU 206 N -1.23 4.26 -1.26 2.89 1.43 -1.26 -3.46 118.68 120.05 3ip3 s LEU 206 Ca 0.41 2.61 -0.04 0.00 -1.03 0.00 0.00 54.13 56.08 3ip3 s LEU 206 Cb 0.23 -3.87 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 3ip3 s LEU 206 CO 0.26 -0.76 0.71 1.41 0.23 0.00 0.00 176.35 178.20 3ip3 n HIS 207 N 0.26 -1.94 -0.38 0.29 8.25 -1.26 -4.71 115.22 115.73 3ip3 n HIS 207 Ca 0.03 0.76 0.09 0.00 -0.26 0.00 0.00 57.72 58.35 3ip3 n HIS 207 Cb 0.44 -4.14 0.33 0.00 1.12 0.00 0.00 29.99 27.73 3ip3 n HIS 207 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3ip3 n ASN 208 N -3.00 4.28 -3.65 0.41 6.94 -1.22 -4.94 115.26 114.08 3ip3 n ASN 208 Ca -0.24 -2.31 -0.24 0.00 -0.02 0.00 0.00 54.58 51.77 3ip3 n ASN 208 Cb 0.66 -0.54 0.04 0.00 -2.36 0.00 0.00 39.78 37.58 3ip3 n ASN 208 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 3ip3 n SER 209 N 1.18 -3.27 0.00 0.53 7.64 -1.26 -2.02 113.62 116.42 3ip3 n SER 209 Ca 0.24 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 59.23 3ip3 n SER 209 Cb 0.77 -3.91 0.00 0.00 -1.01 0.00 0.00 64.21 60.07 3ip3 n SER 209 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ip3 n GLY 210 N -1.60 0.45 0.76 0.23 0.00 -1.26 -4.90 105.19 98.87 3ip3 n GLY 210 Ca -0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.84 3ip3 n GLY 210 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ip3 n HIS 211 N -2.80 0.48 0.00 1.61 8.25 -0.85 -4.98 115.22 116.93 3ip3 n HIS 211 Ca 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 3ip3 n HIS 211 Cb 0.07 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.01 3ip3 n HIS 211 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ip3 n GLY 212 N 0.28 2.49 0.44 -1.41 0.00 -1.26 -2.09 105.19 103.63 3ip3 n GLY 212 Ca 0.07 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.38 3ip3 n GLY 212 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ip3 n GLU 213 N 5.85 1.60 -2.17 1.61 1.02 0.50 -4.95 120.64 124.10 3ip3 n GLU 213 Ca 0.00 -0.88 -0.42 0.00 -0.02 0.00 0.00 57.16 55.85 3ip3 n GLU 213 Cb 0.00 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 3ip3 n GLU 213 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3ip3 s LEU 214 N -1.91 4.39 0.00 -4.62 0.20 -0.89 -4.77 118.68 111.09 3ip3 s LEU 214 Ca 0.38 2.40 -0.26 0.00 0.69 0.00 0.00 54.13 57.34 3ip3 s LEU 214 Cb 0.20 -3.60 -0.04 0.00 -0.43 0.00 0.00 46.19 42.32 3ip3 s LEU 214 CO 0.32 -0.60 0.81 -1.61 -0.29 0.00 0.00 176.35 174.98 3ip3 s GLU 215 N 0.38 4.51 0.17 1.98 8.01 -1.26 -4.57 118.70 127.91 3ip3 s GLU 215 Ca 0.60 1.11 0.23 0.00 0.01 0.00 0.00 54.97 56.92 3ip3 s GLU 215 Cb -0.37 -3.42 0.05 0.00 -4.31 0.00 0.00 34.13 26.08 3ip3 s GLU 215 CO 0.35 0.13 1.07 0.25 0.01 0.00 0.00 175.26 177.07 3ip3 n THR 216 N 3.39 0.51 -3.82 3.63 -2.24 0.25 -4.71 114.28 111.30 3ip3 n THR 216 Ca 0.00 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.20 3ip3 n THR 216 Cb 0.51 -0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.42 3ip3 n THR 216 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ip3 s THR 217 N -3.32 0.10 -0.11 4.28 -4.23 -1.13 -0.31 115.64 110.91 3ip3 s THR 217 Ca 0.01 -0.83 -0.30 0.00 -1.18 0.00 0.00 61.69 59.39 3ip3 s THR 217 Cb 0.11 -0.89 0.11 0.00 1.34 0.00 0.00 72.50 73.17 3ip3 s THR 217 CO 0.78 -0.46 0.91 0.00 -0.54 0.00 0.00 174.62 175.32 3ip3 s ALA 218 N -2.47 -1.88 -0.08 3.99 0.00 -0.14 -1.33 121.76 119.86 3ip3 s ALA 218 Ca -0.06 1.42 -0.03 0.00 0.00 0.00 0.00 51.96 53.29 3ip3 s ALA 218 Cb -0.01 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.79 3ip3 s ALA 218 CO -0.03 -0.39 0.16 -1.17 0.00 0.00 0.00 175.76 174.33 3ip3 s LEU 219 N -1.38 0.53 -0.04 0.00 2.96 -0.33 -0.96 118.68 119.46 3ip3 s LEU 219 Ca -0.02 0.34 0.06 0.00 -0.22 0.00 0.00 54.13 54.28 3ip3 s LEU 219 Cb -0.00 0.41 -0.01 0.00 0.50 0.00 0.00 46.19 47.08 3ip3 s LEU 219 CO 0.01 -0.17 -0.21 0.00 -1.32 0.00 0.00 176.35 174.66 3ip3 s HIS 221 N -0.17 2.97 -0.10 0.00 2.46 0.14 -1.40 115.29 119.20 3ip3 s HIS 221 Ca -0.01 -0.79 -0.00 0.00 0.47 0.00 0.00 55.06 54.73 3ip3 s HIS 221 Cb -0.12 -2.10 -0.03 0.00 -0.13 0.00 0.00 32.58 30.21 3ip3 s HIS 221 CO 0.02 -0.46 -0.08 -0.06 -2.47 0.00 0.00 174.74 171.69 3ip3 s PHE 222 N 1.34 2.92 -0.24 3.88 0.08 0.97 -0.81 117.98 126.13 3ip3 s PHE 222 Ca 0.04 -0.17 -0.10 0.00 0.12 0.00 0.00 56.93 56.83 3ip3 s PHE 222 Cb -0.14 -1.78 -0.05 0.00 -0.57 0.00 0.00 43.02 40.48 3ip3 s PHE 222 CO -0.01 0.15 0.15 0.99 -0.10 0.00 0.00 175.22 176.39 3ip3 s THR 223 N -0.35 5.16 0.42 0.64 2.01 -0.51 -1.28 115.64 121.73 3ip3 s THR 223 Ca 0.05 0.11 0.07 0.00 0.31 0.00 0.00 61.69 62.23 3ip3 s THR 223 Cb -0.12 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 3ip3 s THR 223 CO 0.02 0.34 0.28 -0.76 -0.69 0.00 0.00 174.62 173.81 3ip3 s LEU 224 N 1.21 3.22 0.83 4.42 1.02 0.12 0.04 118.68 129.54 3ip3 s LEU 224 Ca 0.07 -0.94 -0.15 0.00 0.02 0.00 0.00 54.13 53.13 3ip3 s LEU 224 Cb -0.14 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.34 3ip3 s LEU 224 CO 0.05 -0.62 0.29 -0.62 0.02 0.00 0.00 176.35 175.47 3ip3 n GLU 225 N -1.40 0.03 -2.13 1.70 1.02 -0.78 -2.92 120.64 116.16 3ip3 n GLU 225 Ca 0.01 0.05 -0.18 0.00 -0.02 0.00 0.00 57.16 57.02 3ip3 n GLU 225 Cb 0.63 -1.70 -0.02 0.00 -0.02 0.00 0.00 31.44 30.33 3ip3 n GLU 225 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3ip3 n ASN 226 N -0.08 -5.14 -3.91 1.62 5.15 -1.26 -2.62 115.26 109.02 3ip3 n ASN 226 Ca 0.07 0.10 -0.29 0.00 -0.60 0.00 0.00 54.58 53.86 3ip3 n ASN 226 Cb 0.52 -4.21 0.02 0.00 -0.53 0.00 0.00 39.78 35.58 3ip3 n ASN 226 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3ip3 n GLU 227 N -2.64 -4.95 -3.35 1.20 1.02 -1.17 -4.96 120.64 105.78 3ip3 n GLU 227 Ca -0.20 0.56 -0.38 0.00 -0.02 0.00 0.00 57.16 57.12 3ip3 n GLU 227 Cb 0.64 -5.30 -0.07 0.00 -0.02 0.00 0.00 31.44 26.69 3ip3 n GLU 227 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ip3 s VAL 228 N -3.43 5.19 0.02 2.62 1.01 -1.08 -4.96 120.40 119.77 3ip3 s VAL 228 Ca 0.48 0.83 0.02 0.00 0.00 0.00 0.00 61.98 63.31 3ip3 s VAL 228 Cb -0.24 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3ip3 s VAL 228 CO 0.84 0.29 0.00 -0.36 0.00 0.00 0.00 175.10 175.87 3ip3 s PHE 229 N 0.96 3.06 -0.07 5.22 0.08 -1.13 0.10 117.98 126.21 3ip3 s PHE 229 Ca 0.22 0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.34 3ip3 s PHE 229 Cb -0.15 -1.65 0.02 0.00 -0.57 0.00 0.00 43.02 40.68 3ip3 s PHE 229 CO 0.09 0.46 -0.08 0.00 -0.10 0.00 0.00 175.22 175.59 3ip3 s ALA 230 N -1.13 1.04 0.07 5.36 0.00 -0.41 -1.32 121.76 125.38 3ip3 s ALA 230 Ca 0.21 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 51.89 3ip3 s ALA 230 Cb -0.12 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 3ip3 s ALA 230 CO 0.12 -0.08 0.07 -1.54 0.00 0.00 0.00 175.76 174.33 3ip3 s SER 231 N 1.06 5.49 -0.21 0.00 1.04 -0.05 -0.02 113.70 121.00 3ip3 s SER 231 Ca -0.08 -0.00 -0.04 0.00 0.48 0.00 0.00 55.95 56.31 3ip3 s SER 231 Cb -0.14 -1.47 0.09 0.00 0.10 0.00 0.00 66.02 64.59 3ip3 s SER 231 CO -0.01 0.19 0.17 -0.22 0.98 0.00 0.00 173.24 174.36 3ip3 s LEU 232 N -2.27 0.12 -0.23 2.42 2.96 -0.49 -1.05 118.68 120.15 3ip3 s LEU 232 Ca 0.28 -0.56 -0.14 0.00 -0.22 0.00 0.00 54.13 53.49 3ip3 s LEU 232 Cb -0.12 0.08 -0.04 0.00 0.50 0.00 0.00 46.19 46.61 3ip3 s LEU 232 CO 0.20 -0.36 0.31 -0.55 -1.32 0.00 0.00 176.35 174.63 3ip3 s SER 233 N 2.24 6.29 -0.09 3.68 0.15 -0.40 -1.01 113.70 124.56 3ip3 s SER 233 Ca 0.06 0.33 0.03 0.00 0.70 0.00 0.00 55.95 57.06 3ip3 s SER 233 Cb -0.16 -2.18 0.01 0.00 -1.71 0.00 0.00 66.02 61.98 3ip3 s SER 233 CO -0.17 -0.04 -0.16 -0.63 1.20 0.00 0.00 173.24 173.44 3ip3 s ILE 234 N 1.34 1.46 0.03 6.45 1.01 -0.14 -0.41 121.20 130.95 3ip3 s ILE 234 Ca 0.14 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 3ip3 s ILE 234 Cb -0.14 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 3ip3 s ILE 234 CO 0.07 0.43 0.03 1.51 0.00 0.00 0.00 174.94 176.98 3ip3 s ASP 235 N 0.67 0.23 -0.63 3.58 -4.77 0.13 -0.96 116.67 114.92 3ip3 s ASP 235 Ca -0.14 -0.55 -0.00 0.00 -3.30 0.00 0.00 52.55 48.56 3ip3 s ASP 235 Cb -0.16 0.17 0.43 0.00 -1.09 0.00 0.00 42.92 42.27 3ip3 s ASP 235 CO 0.04 -0.43 1.86 -1.22 0.70 0.00 0.00 175.17 176.12 3ip3 n TYR 236 N 1.07 3.12 -1.04 2.11 0.53 0.57 -1.77 117.16 121.76 3ip3 n TYR 236 Ca -0.21 -2.78 0.06 0.00 -1.02 0.00 0.00 57.90 53.95 3ip3 n TYR 236 Cb 0.57 -1.17 0.09 0.00 -1.03 0.00 0.00 39.34 37.80 3ip3 n TYR 236 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 3ip3 n LEU 237 N -0.80 1.79 -4.61 7.72 4.77 -1.17 -4.17 117.00 120.53 3ip3 n LEU 237 Ca 0.57 -2.41 -0.43 0.00 -0.03 0.00 0.00 56.01 53.72 3ip3 n LEU 237 Cb 0.63 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 3ip3 n LEU 237 CO 0.66 0.56 1.72 -0.60 -1.33 0.00 0.00 177.39 178.41 3ip3 s ARG 238 N -1.94 3.36 0.46 3.23 3.52 -0.99 -4.91 118.95 121.68 3ip3 s ARG 238 Ca 0.20 1.98 -0.25 0.00 -0.13 0.00 0.00 55.73 57.53 3ip3 s ARG 238 Cb 0.17 -4.29 -0.08 0.00 -1.56 0.00 0.00 34.95 29.19 3ip3 s ARG 238 CO 0.02 -1.84 1.38 -2.30 -0.81 0.00 0.00 175.30 171.74 3ip3 n PRO 239 N 8.45 2.07 -0.33 5.12 -0.02 -1.26 -4.16 135.00 144.87 3ip3 n PRO 239 Ca 0.26 0.74 0.23 0.00 -2.02 0.00 0.00 63.50 62.71 3ip3 n PRO 239 Cb 0.45 -2.56 0.50 0.00 -0.02 0.00 0.00 33.50 31.87 3ip3 n PRO 239 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3ip3 h GLN 240 N 2.09 0.39 0.00 -0.52 1.08 -1.98 -0.65 115.11 115.51 3ip3 h GLN 240 Ca -0.50 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.68 3ip3 h GLN 240 Cb 1.28 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 3ip3 h GLN 240 CO 0.60 0.26 0.00 0.41 -0.95 0.00 0.00 178.83 179.15 3ip3 n GLY 241 N -1.46 -0.56 3.79 3.46 0.00 -1.26 -4.88 105.19 104.28 3ip3 n GLY 241 Ca 0.26 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3ip3 n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ip3 s ALA 242 N -2.00 2.82 0.28 4.61 0.00 -0.25 -4.97 121.76 122.25 3ip3 s ALA 242 Ca 0.20 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.83 3ip3 s ALA 242 Cb 0.09 -3.28 0.67 0.00 0.00 0.00 0.00 23.12 20.60 3ip3 s ALA 242 CO 0.16 -0.44 1.67 -1.35 0.00 0.00 0.00 175.76 175.79 3ip3 h PRO 243 N 1.44 0.29 -4.93 0.00 0.11 -1.90 -3.45 132.00 123.56 3ip3 h PRO 243 Ca -0.50 -0.02 -0.44 0.00 0.11 0.00 0.00 66.00 65.16 3ip3 h PRO 243 Cb 1.23 -0.06 -0.14 0.00 0.11 0.00 0.00 31.00 32.14 3ip3 h PRO 243 CO 0.58 0.19 -0.55 0.95 -0.21 0.00 0.00 178.00 178.96 3ip3 s THR 244 N -5.94 0.41 -0.74 -1.15 -4.23 -1.26 -5.06 115.64 97.67 3ip3 s THR 244 Ca -0.12 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.65 3ip3 s THR 244 Cb 0.25 -2.51 0.22 0.00 1.34 0.00 0.00 72.50 71.80 3ip3 s THR 244 CO 0.77 0.00 1.67 0.00 -0.54 0.00 0.00 174.62 176.52 3ip3 n HIS 245 N -0.64 0.75 -4.15 3.99 1.44 -1.26 -4.86 115.22 110.49 3ip3 n HIS 245 Ca 0.00 0.22 -0.12 0.00 -2.01 0.00 0.00 57.72 55.81 3ip3 n HIS 245 Cb 0.65 -0.82 -0.10 0.00 0.12 0.00 0.00 29.99 29.83 3ip3 n HIS 245 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 3ip3 s ASP 246 N -4.30 1.13 -0.43 4.39 -4.77 -1.26 -1.50 116.67 109.94 3ip3 s ASP 246 Ca 0.10 -0.89 0.05 0.00 -3.30 0.00 0.00 52.55 48.51 3ip3 s ASP 246 Cb 0.13 0.07 0.19 0.00 -1.09 0.00 0.00 42.92 42.22 3ip3 s ASP 246 CO 0.62 -0.38 0.46 -0.67 0.70 0.00 0.00 175.17 175.90 3ip3 n ASP 247 N 0.34 -0.95 -4.74 2.11 2.03 -0.48 -5.00 116.55 109.86 3ip3 n ASP 247 Ca -0.15 -2.56 -0.41 0.00 0.52 0.00 0.00 54.79 52.20 3ip3 n ASP 247 Cb 0.59 -0.10 -0.05 0.00 -0.72 0.00 0.00 41.12 40.84 3ip3 n ASP 247 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 3ip3 s ASP 248 N -0.13 7.52 0.20 1.67 1.01 -1.26 -3.42 116.67 122.26 3ip3 s ASP 248 Ca 0.33 1.89 0.03 0.00 0.71 0.00 0.00 52.55 55.51 3ip3 s ASP 248 Cb 0.07 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 3ip3 s ASP 248 CO -0.16 -0.01 0.21 0.54 0.21 0.00 0.00 175.17 175.96 3ip3 n ARG 249 N 2.25 0.30 -3.42 8.23 1.74 -0.76 -4.41 116.66 120.59 3ip3 n ARG 249 Ca 0.01 -1.88 0.01 0.00 -0.77 0.00 0.00 57.85 55.23 3ip3 n ARG 249 Cb 0.48 1.62 -0.05 0.00 -1.02 0.00 0.00 32.46 33.49 3ip3 n ARG 249 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3ip3 s ARG 251 N -2.69 0.22 -0.27 5.56 3.52 0.72 -1.29 118.95 124.72 3ip3 s ARG 251 Ca 0.22 0.50 -0.04 0.00 -0.13 0.00 0.00 55.73 56.27 3ip3 s ARG 251 Cb 0.01 0.24 0.01 0.00 -1.56 0.00 0.00 34.95 33.65 3ip3 s ARG 251 CO 0.15 -0.07 0.01 0.42 -0.81 0.00 0.00 175.30 175.00 3ip3 s ILE 252 N 2.00 3.43 -0.27 4.11 1.01 0.45 -0.40 121.20 131.53 3ip3 s ILE 252 Ca -0.04 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.72 3ip3 s ILE 252 Cb -0.04 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 3ip3 s ILE 252 CO -0.16 0.17 0.10 -0.69 0.00 0.00 0.00 174.94 174.36 3ip3 s VAL 253 N 1.42 4.45 0.50 2.92 1.01 0.86 -1.56 120.40 130.00 3ip3 s VAL 253 Ca 0.02 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3ip3 s VAL 253 Cb -0.17 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 3ip3 s VAL 253 CO -0.01 0.26 0.01 -0.83 0.00 0.00 0.00 175.10 174.54 3ip3 s GLY 254 N 1.62 2.99 0.48 4.51 0.00 -0.12 -0.49 107.32 116.31 3ip3 s GLY 254 Ca 0.06 -0.48 0.15 0.00 0.00 0.00 0.00 44.72 44.45 3ip3 s GLY 254 CO 0.05 -2.17 2.06 -0.91 0.00 0.00 0.00 173.10 172.13 3ip3 h THR 255 N 1.39 1.07 0.00 0.90 1.35 0.47 -3.32 112.91 114.78 3ip3 h THR 255 Ca -0.43 -0.35 -0.02 0.00 -0.55 0.00 0.00 66.41 65.06 3ip3 h THR 255 Cb 1.31 1.18 -0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3ip3 h THR 255 CO 0.73 0.10 -1.34 0.54 -0.25 0.00 0.00 175.52 175.30 3ip3 n ARG 256 N -4.42 0.62 -3.25 4.72 5.12 0.53 -4.96 116.66 115.02 3ip3 n ARG 256 Ca -0.03 -0.05 -0.03 0.00 -1.93 0.00 0.00 57.85 55.81 3ip3 n ARG 256 Cb 0.18 -1.17 0.02 0.00 -1.16 0.00 0.00 32.46 30.33 3ip3 n ARG 256 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ip3 n GLY 257 N 2.18 0.85 2.96 -0.13 0.00 -1.01 -3.75 105.19 106.29 3ip3 n GLY 257 Ca -0.03 -1.11 -0.26 0.00 0.00 0.00 0.00 46.02 44.62 3ip3 n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ip3 s ILE 258 N -2.21 1.07 -0.19 -0.61 1.01 0.09 -0.94 121.20 119.42 3ip3 s ILE 258 Ca 0.16 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 3ip3 s ILE 258 Cb -0.02 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 3ip3 s ILE 258 CO 0.05 0.36 0.12 -0.69 0.00 0.00 0.00 174.94 174.79 3ip3 s VAL 259 N 1.22 5.36 -0.03 2.92 1.01 -0.60 -1.71 120.40 128.56 3ip3 s VAL 259 Ca -0.04 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.18 3ip3 s VAL 259 Cb -0.14 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 3ip3 s VAL 259 CO -0.03 0.45 -0.22 -0.70 0.00 0.00 0.00 175.10 174.60 3ip3 s GLU 260 N 0.29 2.28 -0.33 2.72 2.12 0.17 -0.41 118.70 125.55 3ip3 s GLU 260 Ca 0.08 -0.86 -0.02 0.00 0.36 0.00 0.00 54.97 54.53 3ip3 s GLU 260 Cb -0.11 -2.16 0.06 0.00 0.26 0.00 0.00 34.13 32.18 3ip3 s GLU 260 CO -0.02 0.56 0.05 0.08 -0.54 0.00 0.00 175.26 175.39 3ip3 s VAL 261 N -0.59 3.11 -0.08 3.70 1.01 -1.26 -0.96 120.40 125.33 3ip3 s VAL 261 Ca 0.09 -1.51 -0.06 0.00 0.00 0.00 0.00 61.98 60.50 3ip3 s VAL 261 Cb -0.11 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.44 3ip3 s VAL 261 CO -0.00 -0.24 0.20 -0.51 0.00 0.00 0.00 175.10 174.55 3ip3 s ILE 262 N 1.24 -0.02 -1.33 2.22 2.07 -0.39 -4.32 121.20 120.68 3ip3 s ILE 262 Ca -0.02 0.07 -0.04 0.00 -1.41 0.00 0.00 60.65 59.26 3ip3 s ILE 262 Cb -0.20 -0.30 0.00 0.00 0.13 0.00 0.00 42.46 42.10 3ip3 s ILE 262 CO -0.01 0.03 0.52 0.59 -1.91 0.00 0.00 174.94 174.15 3ip3 n ASN 263 N 3.54 -5.46 -1.91 4.50 4.13 -1.26 -1.21 115.26 117.60 3ip3 n ASN 263 Ca -0.19 -0.24 -0.16 0.00 1.68 0.00 0.00 54.58 55.67 3ip3 n ASN 263 Cb 0.56 -4.29 -0.04 0.00 -1.54 0.00 0.00 39.78 34.47 3ip3 n ASN 263 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3ip3 n GLU 264 N -3.53 -1.65 -4.34 3.52 1.02 -1.26 -4.98 120.64 109.42 3ip3 n GLU 264 Ca -0.10 0.87 -0.21 0.00 -0.02 0.00 0.00 57.16 57.70 3ip3 n GLU 264 Cb 0.60 -5.32 -0.11 0.00 -0.02 0.00 0.00 31.44 26.59 3ip3 n GLU 264 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3ip3 s ARG 265 N -4.14 1.30 -0.05 3.49 0.52 -0.35 -4.56 118.95 115.17 3ip3 s ARG 265 Ca 0.00 -1.46 0.06 0.00 -0.52 0.00 0.00 55.73 53.81 3ip3 s ARG 265 Cb 0.00 -1.32 -0.02 0.00 0.52 0.00 0.00 34.95 34.14 3ip3 s ARG 265 CO 0.00 0.26 -0.23 0.08 0.02 0.00 0.00 175.30 175.43 3ip3 s VAL 266 N -2.23 2.28 0.03 3.52 1.01 -1.26 -1.26 120.40 122.49 3ip3 s VAL 266 Ca 0.18 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.20 3ip3 s VAL 266 Cb -0.05 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 3ip3 s VAL 266 CO 0.07 0.57 -0.12 -0.36 0.00 0.00 0.00 175.10 175.27 3ip3 s PHE 267 N -0.34 1.01 -0.04 5.22 0.40 -0.13 -0.55 117.98 123.55 3ip3 s PHE 267 Ca 0.02 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 56.05 3ip3 s PHE 267 Cb -0.12 -0.61 0.01 0.00 0.51 0.00 0.00 43.02 42.81 3ip3 s PHE 267 CO 0.02 0.00 -0.07 -1.17 0.70 0.00 0.00 175.22 174.70 3ip3 s LEU 268 N -0.95 1.57 -0.05 -0.37 2.96 0.10 -0.65 118.68 121.29 3ip3 s LEU 268 Ca 0.00 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 53.78 3ip3 s LEU 268 Cb -0.07 -0.55 -0.01 0.00 0.50 0.00 0.00 46.19 46.07 3ip3 s LEU 268 CO 0.01 0.01 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.95 3ip3 s THR 269 N 0.59 1.72 0.00 3.68 2.01 -0.70 -0.66 115.64 122.29 3ip3 s THR 269 Ca -0.09 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.03 3ip3 s THR 269 Cb -0.12 -1.47 0.00 0.00 0.01 0.00 0.00 72.50 70.92 3ip3 s THR 269 CO 0.01 0.49 0.00 -0.90 -0.69 0.00 0.00 174.62 173.53 3ip3 n ASP 270 N 3.07 0.00 -0.06 3.53 5.68 -0.27 -0.73 116.55 127.77 3ip3 n ASP 270 Ca -0.18 -0.57 0.12 0.00 -0.50 0.00 0.00 54.79 53.66 3ip3 n ASP 270 Cb 0.52 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 41.01 3ip3 n ASP 270 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3ip3 h GLU 271 N 0.00 0.37 0.02 0.11 3.07 -1.95 -3.10 114.58 113.10 3ip3 h GLU 271 Ca 0.00 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 3ip3 h GLU 271 Cb 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 3ip3 h GLU 271 CO 0.00 0.25 -0.10 0.87 -1.40 0.00 0.00 179.01 178.62 3ip3 h LYS 272 N 0.38 0.04 0.00 2.33 1.57 -1.95 -3.50 116.57 115.44 3ip3 h LYS 272 Ca 0.26 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3ip3 h LYS 272 Cb 0.51 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3ip3 h LYS 272 CO -0.07 1.03 0.00 0.41 -0.57 0.00 0.00 179.45 180.25 3ip3 n GLY 273 N 1.61 -0.69 3.30 3.86 0.00 -1.17 -5.15 105.19 106.95 3ip3 n GLY 273 Ca -0.10 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 3ip3 n GLY 273 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3ip3 s HIS 274 N -3.00 2.51 0.07 1.61 -3.43 -1.26 -1.11 115.29 110.68 3ip3 s HIS 274 Ca 0.00 -0.68 -0.26 0.00 -0.80 0.00 0.00 55.06 53.32 3ip3 s HIS 274 Cb 0.00 -1.63 0.08 0.00 -1.43 0.00 0.00 32.58 29.60 3ip3 s HIS 274 CO 0.00 -0.19 0.68 -0.98 -2.00 0.00 0.00 174.74 172.25 3ip3 s ARG 275 N -0.14 1.13 0.14 -0.38 1.70 0.17 -5.00 118.95 116.58 3ip3 s ARG 275 Ca -0.04 -0.24 -0.30 0.00 -0.47 0.00 0.00 55.73 54.68 3ip3 s ARG 275 Cb -0.14 0.52 -0.07 0.00 -0.57 0.00 0.00 34.95 34.69 3ip3 s ARG 275 CO 0.04 -0.46 1.13 -2.00 -1.08 0.00 0.00 175.30 172.93 3ip3 s GLU 276 N -2.92 4.54 -0.10 3.89 2.12 -1.26 -0.72 118.70 124.25 3ip3 s GLU 276 Ca -0.01 1.73 -0.17 0.00 0.36 0.00 0.00 54.97 56.88 3ip3 s GLU 276 Cb -0.01 -3.30 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 3ip3 s GLU 276 CO -0.06 -0.02 0.43 0.08 -0.54 0.00 0.00 175.26 175.15 3ip3 s VAL 277 N 0.13 5.17 0.41 3.70 1.01 0.29 -4.92 120.40 126.19 3ip3 s VAL 277 Ca 0.52 0.86 -0.26 0.00 0.00 0.00 0.00 61.98 63.10 3ip3 s VAL 277 Cb -0.29 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 3ip3 s VAL 277 CO 0.33 0.39 1.33 -2.16 0.00 0.00 0.00 175.10 174.99 3ip3 s PRO 278 N 0.25 3.95 0.38 2.72 0.04 -1.26 -4.47 135.00 136.62 3ip3 s PRO 278 Ca 0.24 2.21 -0.17 0.00 0.04 0.00 0.00 61.00 63.32 3ip3 s PRO 278 Cb -0.15 -2.77 -0.09 0.00 0.04 0.00 0.00 34.50 31.53 3ip3 s PRO 278 CO 0.10 -0.52 0.83 -0.51 0.04 0.00 0.00 177.00 176.93 3ip3 s LEU 279 N -2.42 3.97 0.89 -3.56 1.43 -1.26 -5.04 118.68 112.68 3ip3 s LEU 279 Ca 0.57 1.43 -0.13 0.00 -1.03 0.00 0.00 54.13 54.96 3ip3 s LEU 279 Cb -0.39 -4.26 0.16 0.00 0.03 0.00 0.00 46.19 41.72 3ip3 s LEU 279 CO 0.51 -0.30 1.24 0.68 0.23 0.00 0.00 176.35 178.71 3ip3 s VAL 280 N -2.14 2.03 -0.05 -1.59 -7.23 -1.26 -5.01 120.40 105.16 3ip3 s VAL 280 Ca 0.57 -0.07 -0.35 0.00 -1.81 0.00 0.00 61.98 60.31 3ip3 s VAL 280 Cb -0.10 -2.96 -0.13 0.00 0.56 0.00 0.00 36.38 33.75 3ip3 s VAL 280 CO 0.18 0.00 1.73 1.21 -0.31 0.00 0.00 175.10 177.91 3ip3 n GLU 281 N -3.53 1.88 -0.57 4.82 4.07 -1.26 -4.63 120.64 121.41 3ip3 n GLU 281 Ca 0.13 0.69 -0.30 0.00 -0.06 0.00 0.00 57.16 57.62 3ip3 n GLU 281 Cb 0.60 -2.46 0.22 0.00 -0.06 0.00 0.00 31.44 29.73 3ip3 n GLU 281 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 3ip3 n LYS 282 N 5.25 -1.78 -2.22 5.31 2.85 -1.26 -4.80 118.16 121.51 3ip3 n LYS 282 Ca 0.22 -0.48 -0.02 0.00 -1.05 0.00 0.00 58.31 56.97 3ip3 n LYS 282 Cb 0.25 -2.10 -0.01 0.00 -0.65 0.00 0.00 35.03 32.52 3ip3 n LYS 282 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ip3 n GLY 283 N 1.09 4.01 3.20 2.58 0.00 -0.08 -4.99 105.19 111.00 3ip3 n GLY 283 Ca 0.05 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 3ip3 n GLY 283 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ip3 s GLN 284 N -2.14 0.32 0.27 1.61 -0.44 -1.26 -4.75 119.66 113.26 3ip3 s GLN 284 Ca 0.02 0.95 -0.00 0.00 -2.50 0.00 0.00 55.36 53.83 3ip3 s GLN 284 Cb 0.00 0.20 0.54 0.00 -1.64 0.00 0.00 33.01 32.11 3ip3 s GLN 284 CO 0.02 -0.31 1.78 0.97 0.50 0.00 0.00 175.29 178.25 3ip3 h ILE 285 N 6.18 0.78 0.00 -2.34 2.10 -1.87 -1.95 117.51 120.41 3ip3 h ILE 285 Ca -0.16 -0.25 -0.17 0.00 1.08 0.00 0.00 64.86 65.36 3ip3 h ILE 285 Cb 1.12 0.00 -0.02 0.00 -1.09 0.00 0.00 36.82 36.82 3ip3 h ILE 285 CO 0.14 0.13 -0.82 0.15 -1.08 0.00 0.00 178.15 176.67 3ip3 h PHE 286 N 0.72 0.00 -0.86 2.19 3.57 -1.91 -1.06 116.94 119.59 3ip3 h PHE 286 Ca 0.47 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.94 3ip3 h PHE 286 Cb 0.62 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 3ip3 h PHE 286 CO -0.06 0.82 0.43 0.93 -2.23 0.00 0.00 178.31 178.20 3ip3 h GLU 287 N 0.00 1.23 -0.63 1.11 5.08 -1.55 -0.83 114.58 118.98 3ip3 h GLU 287 Ca -0.01 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 3ip3 h GLU 287 Cb 1.53 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 3ip3 h GLU 287 CO 0.11 0.93 0.20 0.22 -1.00 0.00 0.00 179.01 179.46 3ip3 h ASP 288 N 1.22 0.92 -0.83 1.42 3.58 -1.12 -1.99 116.42 119.62 3ip3 h ASP 288 Ca 0.30 -0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 3ip3 h ASP 288 Cb 0.09 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 40.86 3ip3 h ASP 288 CO -0.04 0.89 0.42 0.15 -2.88 0.00 0.00 179.24 177.78 3ip3 h PHE 289 N 0.91 1.17 -0.11 0.28 3.04 -0.89 -2.10 116.94 119.24 3ip3 h PHE 289 Ca 0.20 -0.05 -0.23 0.00 3.98 0.00 0.00 57.97 61.87 3ip3 h PHE 289 Cb 0.29 -0.37 0.01 0.00 2.56 0.00 0.00 35.95 38.45 3ip3 h PHE 289 CO 0.02 0.83 -0.85 -0.07 -2.02 0.00 0.00 178.31 176.23 3ip3 h LEU 290 N 1.17 0.93 -0.89 0.59 3.38 -1.03 -1.67 115.31 117.79 3ip3 h LEU 290 Ca 0.29 -0.64 0.12 0.00 0.09 0.00 0.00 57.88 57.74 3ip3 h LEU 290 Cb 0.08 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.47 3ip3 h LEU 290 CO -0.04 1.44 0.51 0.03 0.09 0.00 0.00 178.44 180.47 3ip3 h ARG 291 N 0.50 0.77 -0.05 1.13 3.08 -1.24 0.11 114.38 118.69 3ip3 h ARG 291 Ca -0.07 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 3ip3 h ARG 291 Cb 1.48 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.35 3ip3 h ARG 291 CO 0.17 0.51 0.03 1.49 -1.07 0.00 0.00 179.97 181.10 3ip3 h GLU 292 N 0.80 0.07 -0.34 0.04 4.57 -1.13 0.41 114.58 119.00 3ip3 h GLU 292 Ca 0.45 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.60 3ip3 h GLU 292 Cb 0.50 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 3ip3 h GLU 292 CO -0.29 0.10 0.12 0.82 -1.18 0.00 0.00 179.01 178.58 3ip3 h ILE 293 N 0.02 1.14 -0.76 2.32 1.08 -0.32 -2.34 117.51 118.66 3ip3 h ILE 293 Ca 0.02 -0.47 -0.25 0.00 -0.39 0.00 0.00 64.86 63.76 3ip3 h ILE 293 Cb 0.05 0.76 -0.15 0.00 -3.07 0.00 0.00 36.82 34.41 3ip3 h ILE 293 CO -0.00 0.18 0.32 0.54 -0.69 0.00 0.00 178.15 178.49 3ip3 n ARG 294 N -4.38 3.44 -1.41 2.37 1.74 0.30 -4.91 116.66 113.80 3ip3 n ARG 294 Ca 0.02 -2.94 -0.06 0.00 -0.77 0.00 0.00 57.85 54.10 3ip3 n ARG 294 Cb 0.15 -2.18 -0.02 0.00 -1.02 0.00 0.00 32.46 29.39 3ip3 n ARG 294 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ip3 n GLY 295 N -0.25 0.40 0.01 -0.13 0.00 -0.88 -4.76 105.19 99.57 3ip3 n GLY 295 Ca 0.42 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.57 3ip3 n GLY 295 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ip3 n GLN 296 N -1.64 0.05 -3.45 1.61 6.02 0.14 -5.00 117.38 115.11 3ip3 n GLN 296 Ca -0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 3ip3 n GLN 296 Cb 0.27 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.03 3ip3 n GLN 296 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ip3 n GLY 297 N 1.48 -1.61 3.41 1.08 0.00 -0.91 -4.93 105.19 103.71 3ip3 n GLY 297 Ca 0.07 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 3ip3 n GLY 297 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ip3 s LYS 298 N -1.44 3.50 0.00 1.61 -0.14 -1.26 -3.19 119.74 118.82 3ip3 s LYS 298 Ca 0.00 -0.60 0.00 0.00 -1.36 0.00 0.00 55.97 54.01 3ip3 s LYS 298 Cb 0.00 -2.85 0.00 0.00 -1.68 0.00 0.00 37.83 33.30 3ip3 s LYS 298 CO 0.00 0.12 0.00 0.00 -0.76 0.00 0.00 175.35 174.71 3ip3 n VAL 301 N -0.83 0.00 -1.71 0.00 0.31 -1.26 -4.93 118.33 109.91 3ip3 n VAL 301 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 3ip3 n VAL 301 Cb 0.00 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 32.97 3ip3 n VAL 301 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3ip3 s THR 302 N 0.00 3.94 0.41 2.52 -4.23 -1.26 -4.79 115.64 112.23 3ip3 s THR 302 Ca 0.00 0.72 0.19 0.00 -1.18 0.00 0.00 61.69 61.41 3ip3 s THR 302 Cb 0.00 -3.38 0.20 0.00 1.34 0.00 0.00 72.50 70.66 3ip3 s THR 302 CO 0.00 -0.73 1.98 -0.65 -0.54 0.00 0.00 174.62 174.67 3ip3 h PRO 303 N -0.36 0.00 0.38 3.99 0.11 -1.92 -1.94 132.00 132.26 3ip3 h PRO 303 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3ip3 h PRO 303 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ip3 h PRO 303 CO 0.57 0.21 -0.18 0.93 -0.21 0.00 0.00 178.00 179.31 3ip3 h GLU 304 N 0.00 -0.49 -0.78 1.05 3.07 -1.92 -0.53 114.58 114.98 3ip3 h GLU 304 Ca -0.00 0.03 0.15 0.00 -0.50 0.00 0.00 59.36 59.04 3ip3 h GLU 304 Cb 0.41 0.11 -0.15 0.00 -0.84 0.00 0.00 28.75 28.29 3ip3 h GLU 304 CO 0.03 -0.26 -0.22 -0.44 -1.40 0.00 0.00 179.01 176.72 3ip3 h ASP 305 N -0.63 -0.82 -0.58 1.42 3.32 -1.88 -0.56 116.42 116.69 3ip3 h ASP 305 Ca -0.05 0.24 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 3ip3 h ASP 305 Cb 0.46 0.51 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 3ip3 h ASP 305 CO 0.09 -0.27 0.10 0.28 -1.72 0.00 0.00 179.24 177.71 3ip3 h SER 306 N -0.02 0.95 0.02 6.45 0.02 -0.99 -0.06 113.55 119.91 3ip3 h SER 306 Ca 0.36 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3ip3 h SER 306 Cb 0.58 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3ip3 h SER 306 CO -0.81 0.95 -0.01 0.40 -1.14 0.00 0.00 176.83 176.22 3ip3 h ILE 307 N 0.94 1.19 -0.20 3.27 2.04 -0.51 -3.07 117.51 121.15 3ip3 h ILE 307 Ca 0.19 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3ip3 h ILE 307 Cb 0.41 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3ip3 h ILE 307 CO 0.01 0.17 0.07 0.25 0.00 0.00 0.00 178.15 178.64 3ip3 h LEU 308 N -0.31 0.29 -1.12 1.44 5.85 -0.72 -0.16 115.31 120.58 3ip3 h LEU 308 Ca -0.00 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 3ip3 h LEU 308 Cb 0.30 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3ip3 h LEU 308 CO 0.01 0.41 -0.04 0.71 -0.34 0.00 0.00 178.44 179.19 3ip3 h THR 309 N 0.16 1.22 -0.58 1.05 1.35 -1.14 0.33 112.91 115.30 3ip3 h THR 309 Ca 0.07 -0.91 -0.09 0.00 -0.55 0.00 0.00 66.41 64.93 3ip3 h THR 309 Cb 0.22 0.99 -0.02 0.00 -1.73 0.00 0.00 68.15 67.61 3ip3 h THR 309 CO -0.00 0.31 0.02 0.74 -0.25 0.00 0.00 175.52 176.33 3ip3 h THR 310 N 0.54 1.26 -0.13 6.82 2.02 -1.41 -1.00 112.91 121.01 3ip3 h THR 310 Ca 0.11 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.18 3ip3 h THR 310 Cb 0.41 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3ip3 h THR 310 CO 0.02 0.40 0.08 -0.08 0.37 0.00 0.00 175.52 176.31 3ip3 h GLU 311 N 0.90 0.18 -0.53 6.66 4.81 -0.04 -1.37 114.58 125.19 3ip3 h GLU 311 Ca 0.17 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 3ip3 h GLU 311 Cb 0.53 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 3ip3 h GLU 311 CO 0.03 0.15 0.31 0.82 -0.73 0.00 0.00 179.01 179.58 3ip3 h ILE 312 N 0.16 1.04 -0.39 2.32 2.04 -0.92 -0.61 117.51 121.14 3ip3 h ILE 312 Ca 0.05 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.73 3ip3 h ILE 312 Cb 0.01 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 3ip3 h ILE 312 CO -0.01 0.11 0.19 0.00 0.00 0.00 0.00 178.15 178.44 3ip3 h ALA 313 N 1.24 0.49 -0.79 1.87 0.00 -0.97 0.16 119.26 121.26 3ip3 h ALA 313 Ca 0.22 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3ip3 h ALA 313 Cb 0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3ip3 h ALA 313 CO -0.10 -0.17 0.33 -0.07 0.00 0.00 0.00 179.25 179.23 3ip3 h LEU 314 N 0.39 1.07 -0.45 0.00 3.38 -0.91 0.86 115.31 119.65 3ip3 h LEU 314 Ca 0.17 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ip3 h LEU 314 Cb 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3ip3 h LEU 314 CO -0.12 0.94 0.27 0.11 0.09 0.00 0.00 178.44 179.73 3ip3 h LYS 315 N 1.15 0.61 -0.72 1.13 6.56 -0.73 0.18 116.57 124.74 3ip3 h LYS 315 Ca 0.27 -0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.78 3ip3 h LYS 315 Cb 0.19 -0.13 -0.03 0.00 -0.57 0.00 0.00 32.23 31.69 3ip3 h LYS 315 CO -0.02 0.44 0.36 0.00 -2.06 0.00 0.00 179.45 178.17 3ip3 h ALA 316 N 1.13 0.93 -0.59 3.86 0.00 -0.29 -0.58 119.26 123.71 3ip3 h ALA 316 Ca 0.16 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3ip3 h ALA 316 Cb -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3ip3 h ALA 316 CO -0.03 0.48 -0.03 -0.09 0.00 0.00 0.00 179.25 179.58 3ip3 h ARG 317 N 1.01 1.07 -0.48 0.00 2.43 -0.41 -1.97 114.38 116.02 3ip3 h ARG 317 Ca 0.25 -0.36 0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3ip3 h ARG 317 Cb 0.10 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 3ip3 h ARG 317 CO -0.03 1.06 0.27 1.25 -1.51 0.00 0.00 179.97 181.01 3ip3 h LEU 318 N 0.97 0.41 -0.32 3.80 5.85 -0.19 0.93 115.31 126.77 3ip3 h LEU 318 Ca 0.16 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.97 3ip3 h LEU 318 Cb 0.60 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 3ip3 h LEU 318 CO 0.04 0.29 -0.13 -1.28 -0.34 0.00 0.00 178.44 177.02 3ip3 h SER 319 N 0.53 -0.43 0.04 1.25 0.87 -0.87 0.40 113.55 115.34 3ip3 h SER 319 Ca 0.20 0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.78 3ip3 h SER 319 Cb 0.06 0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3ip3 h SER 319 CO -0.12 -0.16 -0.29 0.00 -0.53 0.00 0.00 176.83 175.74 3ip3 h ALA 320 N 1.21 1.14 -0.14 6.23 0.00 -0.99 0.92 119.26 127.63 3ip3 h ALA 320 Ca 0.16 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3ip3 h ALA 320 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3ip3 h ALA 320 CO -0.36 0.54 -0.45 -0.44 0.00 0.00 0.00 179.25 178.54 3ip3 h ASP 321 N 0.34 0.35 0.00 0.00 3.32 0.01 -3.35 116.42 117.09 3ip3 h ASP 321 Ca 0.05 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3ip3 h ASP 321 Cb 0.68 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3ip3 h ASP 321 CO 0.05 0.76 -1.01 0.35 -1.72 0.00 0.00 179.24 177.67 3ip3 n THR 322 N -3.99 0.00 -1.03 0.35 -2.24 0.05 -4.98 114.28 102.44 3ip3 n THR 322 Ca -0.02 -0.21 -0.01 0.00 -2.27 0.00 0.00 64.05 61.54 3ip3 n THR 322 Cb 0.52 0.74 -0.00 0.00 -2.10 0.00 0.00 70.33 69.49 3ip3 n THR 322 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ip3 n GLY 323 N 1.43 0.50 3.40 3.38 0.00 0.29 -5.04 105.19 109.15 3ip3 n GLY 323 Ca 0.01 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 3ip3 n GLY 323 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ip3 s GLN 324 N -1.45 1.45 0.25 1.61 -0.21 -1.12 -5.05 119.66 115.15 3ip3 s GLN 324 Ca 0.00 -1.48 -0.30 0.00 0.02 0.00 0.00 55.36 53.60 3ip3 s GLN 324 Cb 0.00 -1.75 -0.10 0.00 1.00 0.00 0.00 33.01 32.16 3ip3 s GLN 324 CO 0.00 0.38 1.41 0.42 -2.12 0.00 0.00 175.29 175.38 3ip3 s ILE 325 N -1.65 2.72 -0.05 1.08 1.01 -1.26 -4.39 121.20 118.65 3ip3 s ILE 325 Ca 0.19 0.61 0.05 0.00 0.00 0.00 0.00 60.65 61.50 3ip3 s ILE 325 Cb -0.08 -3.39 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 3ip3 s ILE 325 CO 0.09 0.10 -0.21 -0.69 0.00 0.00 0.00 174.94 174.23 3ip3 s VAL 326 N -0.13 1.73 0.05 2.92 1.01 -0.29 -4.98 120.40 120.72 3ip3 s VAL 326 Ca 0.58 -0.88 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 3ip3 s VAL 326 Cb -0.41 -1.48 -0.06 0.00 0.00 0.00 0.00 36.38 34.44 3ip3 s VAL 326 CO 0.44 0.49 0.76 -0.76 0.00 0.00 0.00 175.10 176.02 3ip3 s LEU 327 N -0.01 4.46 -0.20 3.92 1.43 -1.26 -0.90 118.68 126.11 3ip3 s LEU 327 Ca -0.05 1.45 -0.16 0.00 -1.03 0.00 0.00 54.13 54.34 3ip3 s LEU 327 Cb -0.13 -3.22 -0.11 0.00 0.03 0.00 0.00 46.19 42.76 3ip3 s LEU 327 CO 0.03 0.04 -0.14 -0.38 0.23 0.00 0.00 176.35 176.13 3ip3 n ILE 328 N 2.69 1.50 -1.12 -0.59 5.41 0.10 -4.95 119.36 122.40 3ip3 n ILE 328 Ca -0.03 -0.02 -0.31 0.00 1.00 0.00 0.00 62.75 63.39 3ip3 n ILE 328 Cb 0.50 -2.15 0.11 0.00 -0.71 0.00 0.00 39.64 37.39 3ip3 n ILE 328 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3ip3 s GLU 329 N -2.48 1.90 0.00 0.38 0.41 -1.13 -5.02 118.70 112.77 3ip3 s GLU 329 Ca -0.28 1.32 0.00 0.00 -0.41 0.00 0.00 54.97 55.60 3ip3 s GLU 329 Cb 0.07 -1.84 0.00 0.00 -1.78 0.00 0.00 34.13 30.57 3ip3 s GLU 329 CO 0.44 -1.94 0.00 0.41 -0.49 0.00 0.00 175.26 173.68