#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ip3 s LYS 3 N 0.00 3.52 -0.17 3.23 1.02 -1.26 -4.10 119.74 121.98 3ip3 s LYS 3 Ca 0.00 -0.29 -0.08 0.00 0.02 0.00 0.00 55.97 55.62 3ip3 s LYS 3 Cb 0.00 -3.84 -0.04 0.00 -0.52 0.00 0.00 37.83 33.43 3ip3 s LYS 3 CO 0.00 -0.68 0.11 0.42 -0.92 0.00 0.00 175.35 174.28 3ip3 s ILE 4 N 2.33 5.22 -0.12 2.17 1.01 -1.24 0.15 121.20 130.72 3ip3 s ILE 4 Ca 0.17 0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.95 3ip3 s ILE 4 Cb -0.16 -3.34 -0.00 0.00 0.01 0.00 0.00 42.46 38.97 3ip3 s ILE 4 CO 0.13 0.49 -0.19 0.00 0.00 0.00 0.00 174.94 175.38 3ip3 s VAL 6 N 0.46 2.75 0.11 0.00 1.01 -0.82 -1.09 120.40 122.83 3ip3 s VAL 6 Ca -0.13 -3.22 -0.30 0.00 0.00 0.00 0.00 61.98 58.33 3ip3 s VAL 6 Cb -0.17 -2.89 -0.06 0.00 0.00 0.00 0.00 36.38 33.26 3ip3 s VAL 6 CO 0.06 -0.80 1.13 -0.63 0.00 0.00 0.00 175.10 174.86 3ip3 s ILE 7 N -0.20 4.02 0.25 2.22 1.01 -0.87 -3.55 121.20 124.09 3ip3 s ILE 7 Ca 0.17 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.40 3ip3 s ILE 7 Cb -0.25 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.21 3ip3 s ILE 7 CO -0.01 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.73 3ip3 n GLY 8 N 2.63 -2.38 2.65 6.18 0.00 0.90 -2.71 105.19 112.46 3ip3 n GLY 8 Ca 0.06 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.37 0.18 -0.08 1.61 2.88 -1.15 -4.67 113.62 109.01 3ip3 n SER 9 Ca -0.02 -2.67 -0.13 0.00 -1.33 0.00 0.00 58.87 54.72 3ip3 n SER 9 Cb 0.33 0.06 -0.14 0.00 -0.75 0.00 0.00 64.21 63.70 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 -0.21 0.84 -3.04 -3.46 7.64 0.19 -4.92 113.62 110.66 3ip3 n SER 10 Ca 0.06 0.06 -0.08 0.00 1.01 0.00 0.00 58.87 59.92 3ip3 n SER 10 Cb 0.82 0.29 0.03 0.00 -1.01 0.00 0.00 64.21 64.34 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 1.86 1.42 3.57 0.23 0.00 -0.89 -4.98 105.19 106.40 3ip3 n GLY 11 Ca -0.33 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.24 3ip3 n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ip3 s HIS 12 N -0.63 2.33 0.36 1.61 3.76 -1.26 -4.73 115.29 116.73 3ip3 s HIS 12 Ca 0.24 -0.46 0.04 0.00 -0.15 0.00 0.00 55.06 54.73 3ip3 s HIS 12 Cb -0.02 -4.47 0.69 0.00 1.11 0.00 0.00 32.58 29.90 3ip3 s HIS 12 CO 0.15 -1.79 1.98 0.27 -0.85 0.00 0.00 174.74 174.50 3ip3 h PHE 13 N 9.77 0.62 -0.92 1.40 -5.15 -1.94 -3.23 116.94 117.50 3ip3 h PHE 13 Ca 0.22 -0.01 0.17 0.00 -0.20 0.00 0.00 57.97 58.15 3ip3 h PHE 13 Cb 0.98 -0.20 -0.17 0.00 0.22 0.00 0.00 35.95 36.78 3ip3 h PHE 13 CO 1.28 0.46 -0.27 0.54 -2.00 0.00 0.00 178.31 178.32 3ip3 n ARG 14 N -4.39 -0.13 -0.36 6.09 1.74 -1.26 -2.51 116.66 115.84 3ip3 n ARG 14 Ca 0.04 1.42 0.26 0.00 -0.77 0.00 0.00 57.85 58.80 3ip3 n ARG 14 Cb 0.12 -2.12 0.52 0.00 -1.02 0.00 0.00 32.46 29.96 3ip3 n ARG 14 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 3ip3 h TYR 15 N 0.00 0.73 -0.02 -1.55 0.05 -1.97 0.16 116.97 114.38 3ip3 h TYR 15 Ca 0.40 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 59.20 3ip3 h TYR 15 Cb 0.63 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.17 3ip3 h TYR 15 CO -0.74 -0.06 -0.02 0.00 -1.05 0.00 0.00 178.16 176.29 3ip3 h ALA 16 N 1.69 0.03 -0.67 3.88 0.00 -1.76 -3.37 119.26 119.06 3ip3 h ALA 16 Ca 0.69 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 55.44 3ip3 h ALA 16 Cb 1.77 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.47 3ip3 h ALA 16 CO -0.42 -0.19 0.25 -0.07 0.00 0.00 0.00 179.25 178.82 3ip3 h LEU 17 N -0.45 0.24 -0.15 0.00 3.38 -0.78 0.64 115.31 118.19 3ip3 h LEU 17 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ip3 h LEU 17 Cb 0.55 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3ip3 h LEU 17 CO 0.01 0.12 0.00 -0.62 0.09 0.00 0.00 178.44 178.04 3ip3 n GLU 18 N -5.00 0.85 0.00 1.13 4.71 -1.16 -3.21 120.64 117.96 3ip3 n GLU 18 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 3ip3 n GLU 18 Cb 0.33 -1.06 0.00 0.00 -1.01 0.00 0.00 31.44 29.69 3ip3 n GLU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3ip3 n GLY 19 N 0.31 0.01 3.73 0.62 0.00 0.19 -4.96 105.19 105.09 3ip3 n GLY 19 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.31 3.19 0.00 0.99 1.43 -1.07 -4.22 118.68 118.69 3ip3 s LEU 20 Ca 0.00 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 3ip3 s LEU 20 Cb 0.00 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.65 3ip3 s LEU 20 CO 0.00 -2.30 0.00 -0.90 0.23 0.00 0.00 176.35 173.38 3ip3 n ASP 21 N -3.09 0.98 0.30 2.29 5.75 -1.26 -5.04 116.55 116.48 3ip3 n ASP 21 Ca 0.12 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.78 3ip3 n ASP 21 Cb 0.51 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.54 3ip3 n ASP 21 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3ip3 h GLU 22 N 0.00 -0.76 0.00 0.11 3.07 -2.03 -2.90 114.58 112.07 3ip3 h GLU 22 Ca 0.00 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3ip3 h GLU 22 Cb 0.00 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 3ip3 h GLU 22 CO 0.00 -0.51 0.00 0.39 -1.40 0.00 0.00 179.01 177.49 3ip3 n GLU 23 N -4.96 0.18 -3.93 2.33 -0.58 -1.26 -4.66 120.64 107.75 3ip3 n GLU 23 Ca -0.10 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.30 3ip3 n GLU 23 Cb 0.31 -1.06 -0.14 0.00 -0.57 0.00 0.00 31.44 29.99 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 1.24 -0.56 0.23 0.00 1.04 -1.26 -4.62 113.70 109.77 3ip3 s SER 25 Ca -0.05 1.01 -0.30 0.00 0.48 0.00 0.00 55.95 57.08 3ip3 s SER 25 Cb -0.20 1.09 -0.09 0.00 0.10 0.00 0.00 66.02 66.92 3ip3 s SER 25 CO -0.02 -0.17 1.36 -0.63 0.98 0.00 0.00 173.24 174.76 3ip3 s ILE 26 N 0.65 2.96 -1.49 -1.02 1.01 -1.26 -3.69 121.20 118.36 3ip3 s ILE 26 Ca -0.01 0.81 0.14 0.00 0.00 0.00 0.00 60.65 61.59 3ip3 s ILE 26 Cb -0.05 -3.52 0.27 0.00 0.01 0.00 0.00 42.46 39.18 3ip3 s ILE 26 CO -0.09 0.13 1.17 0.35 0.00 0.00 0.00 174.94 176.50 3ip3 n THR 27 N 2.39 0.55 0.00 2.92 -2.24 -0.19 -4.54 114.28 113.16 3ip3 n THR 27 Ca 0.06 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 3ip3 n THR 27 Cb 0.42 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3ip3 n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ip3 n GLY 28 N 0.83 1.71 3.69 3.38 0.00 -1.22 -4.06 105.19 109.51 3ip3 n GLY 28 Ca 0.12 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 3ip3 n GLY 28 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ip3 s ILE 29 N -0.58 1.66 -0.08 -0.61 -4.36 -0.92 -1.94 121.20 114.37 3ip3 s ILE 29 Ca 0.00 -1.97 -0.30 0.00 -0.26 0.00 0.00 60.65 58.12 3ip3 s ILE 29 Cb 0.00 -2.63 0.12 0.00 1.25 0.00 0.00 42.46 41.19 3ip3 s ILE 29 CO 0.00 0.00 0.98 0.00 0.24 0.00 0.00 174.94 176.16 3ip3 s ALA 30 N -2.77 -1.90 0.30 2.27 0.00 -1.23 -1.99 121.76 116.43 3ip3 s ALA 30 Ca 0.23 1.28 -0.13 0.00 0.00 0.00 0.00 51.96 53.34 3ip3 s ALA 30 Cb 0.06 0.01 -0.08 0.00 0.00 0.00 0.00 23.12 23.10 3ip3 s ALA 30 CO 0.12 -0.57 0.67 -1.25 0.00 0.00 0.00 175.76 174.74 3ip3 s PRO 31 N -2.44 3.91 -0.01 0.00 0.04 -1.26 -0.07 135.00 135.16 3ip3 s PRO 31 Ca 0.04 0.51 -0.15 0.00 0.04 0.00 0.00 61.00 61.43 3ip3 s PRO 31 Cb -0.01 -2.50 -0.08 0.00 0.04 0.00 0.00 34.50 31.94 3ip3 s PRO 31 CO -0.05 0.20 0.74 0.78 0.04 0.00 0.00 177.00 178.70 3ip3 h GLY 32 N 2.26 -0.57 -4.36 0.56 0.00 -1.92 -3.41 103.07 95.63 3ip3 h GLY 32 Ca -0.47 0.21 -0.58 0.00 0.00 0.00 0.00 47.33 46.48 3ip3 h GLY 32 CO 0.67 -0.21 -0.30 -1.34 0.00 0.00 0.00 176.54 175.36 3ip3 s VAL 33 N -3.42 5.15 0.54 4.60 -7.23 -1.26 -4.94 120.40 113.84 3ip3 s VAL 33 Ca -0.08 0.15 0.33 0.00 -1.81 0.00 0.00 61.98 60.57 3ip3 s VAL 33 Cb 0.01 -3.62 0.50 0.00 0.56 0.00 0.00 36.38 33.83 3ip3 s VAL 33 CO 0.24 0.11 1.87 -0.65 -0.31 0.00 0.00 175.10 176.35 3ip3 h PRO 34 N 3.07 0.00 -0.80 4.82 0.11 -1.89 -2.71 132.00 134.61 3ip3 h PRO 34 Ca -0.47 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 3ip3 h PRO 34 Cb 1.17 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.15 3ip3 h PRO 34 CO 0.71 0.00 0.28 -0.85 -0.21 0.00 0.00 178.00 177.93 3ip3 n GLU 35 N -4.23 3.40 -3.41 1.05 0.28 -1.26 -4.96 120.64 111.50 3ip3 n GLU 35 Ca 0.20 -2.78 -0.40 0.00 -0.16 0.00 0.00 57.16 54.02 3ip3 n GLU 35 Cb 1.04 -2.13 -0.09 0.00 1.43 0.00 0.00 31.44 31.68 3ip3 n GLU 35 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 3ip3 s GLU 36 N -2.77 3.69 0.44 3.44 2.12 -1.02 -5.06 118.70 119.54 3ip3 s GLU 36 Ca 0.50 -0.31 -0.25 0.00 0.36 0.00 0.00 54.97 55.27 3ip3 s GLU 36 Cb 0.40 -3.76 -0.09 0.00 0.26 0.00 0.00 34.13 30.94 3ip3 s GLU 36 CO 0.12 -0.44 1.36 -3.47 -0.54 0.00 0.00 175.26 172.29 3ip3 n ASP 37 N 5.35 2.99 -0.19 -1.70 -0.08 -1.26 -4.89 116.55 116.76 3ip3 n ASP 37 Ca -0.09 1.12 0.02 0.00 -1.51 0.00 0.00 54.79 54.33 3ip3 n ASP 37 Cb 0.50 -1.56 0.03 0.00 2.34 0.00 0.00 41.12 42.44 3ip3 n ASP 37 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3ip3 n LEU 38 N 0.01 0.89 -0.31 -2.67 4.77 -1.26 -4.52 117.00 113.92 3ip3 n LEU 38 Ca 0.06 -1.42 0.08 0.00 -0.03 0.00 0.00 56.01 54.69 3ip3 n LEU 38 Cb 0.40 -0.10 0.24 0.00 -2.33 0.00 0.00 43.42 41.63 3ip3 n LEU 38 CO 0.59 0.34 1.12 0.28 -1.33 0.00 0.00 177.39 178.40 3ip3 h SER 39 N 0.00 0.60 0.47 -1.43 0.02 -1.95 -0.33 113.55 110.93 3ip3 h SER 39 Ca 0.00 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 3ip3 h SER 39 Cb 1.06 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 3ip3 h SER 39 CO 0.00 0.25 -0.34 0.11 -1.14 0.00 0.00 176.83 175.71 3ip3 h LYS 40 N 0.67 0.00 0.16 3.45 1.57 -1.92 -3.20 116.57 117.30 3ip3 h LYS 40 Ca 0.48 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.26 3ip3 h LYS 40 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3ip3 h LYS 40 CO -0.36 0.34 -0.08 1.25 -0.57 0.00 0.00 179.45 180.03 3ip3 h LEU 41 N 0.00 -0.18 -0.35 2.94 5.85 -1.41 -3.36 115.31 118.79 3ip3 h LEU 41 Ca -0.00 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3ip3 h LEU 41 Cb 0.66 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 3ip3 h LEU 41 CO 0.04 0.04 0.14 -0.33 -0.34 0.00 0.00 178.44 177.98 3ip3 h GLU 42 N -0.54 0.28 -1.51 1.25 5.08 -1.61 -1.68 114.58 115.85 3ip3 h GLU 42 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3ip3 h GLU 42 Cb 0.16 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3ip3 h GLU 42 CO 0.04 0.19 0.00 1.63 -1.00 0.00 0.00 179.01 179.86 3ip3 n LYS 43 N -5.00 0.94 0.00 2.33 4.01 -1.21 -2.60 118.16 116.64 3ip3 n LYS 43 Ca 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 3ip3 n LYS 43 Cb 0.12 -1.03 0.00 0.00 -0.51 0.00 0.00 35.03 33.61 3ip3 n LYS 43 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3ip3 n ALA 44 N 1.01 0.94 0.13 7.82 0.00 -0.82 -4.87 120.51 124.71 3ip3 n ALA 44 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 3ip3 n ALA 44 Cb 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.78 3ip3 n ALA 44 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3ip3 h ILE 45 N 0.00 1.31 0.00 0.00 3.07 -1.10 -3.32 117.51 117.47 3ip3 h ILE 45 Ca 0.00 -2.67 -0.12 0.00 1.55 0.00 0.00 64.86 63.61 3ip3 h ILE 45 Cb 0.00 2.92 -0.02 0.00 -0.27 0.00 0.00 36.82 39.45 3ip3 h ILE 45 CO 0.00 0.80 -0.59 0.77 -1.05 0.00 0.00 178.15 178.08 3ip3 h SER 46 N 0.18 0.00 0.00 2.16 4.64 -1.67 -3.12 113.55 115.74 3ip3 h SER 46 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3ip3 h SER 46 Cb 2.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.15 3ip3 h SER 46 CO 0.26 0.59 0.00 -0.62 -0.87 0.00 0.00 176.83 176.19 3ip3 n GLU 47 N -3.75 0.04 0.00 4.77 1.02 -1.25 -4.63 120.64 116.83 3ip3 n GLU 47 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3ip3 n GLU 47 Cb 0.61 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 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 1.57 0.00 -4.70 1.62 4.13 -1.18 -5.11 115.26 111.59 3ip3 n ASN 49 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 3ip3 n ASN 49 Cb 0.02 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.26 3ip3 n ASN 49 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ip3 n ILE 50 N 0.00 2.22 -3.71 2.41 0.00 -1.26 -5.04 119.36 113.98 3ip3 n ILE 50 Ca 0.00 -0.50 -0.28 0.00 0.00 0.00 0.00 62.75 61.97 3ip3 n ILE 50 Cb 0.00 -1.57 -0.16 0.00 0.00 0.00 0.00 39.64 37.90 3ip3 n ILE 50 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3ip3 s LYS 51 N -2.02 0.57 0.00 9.51 2.20 -1.26 -4.22 119.74 124.52 3ip3 s LYS 51 Ca 0.58 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 3ip3 s LYS 51 Cb -0.54 -2.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.76 3ip3 s LYS 51 CO 0.61 -0.70 0.00 -0.35 -0.36 0.00 0.00 175.35 174.55 3ip3 n PRO 52 N 5.07 2.52 -2.21 4.03 -0.04 -1.26 -5.02 135.00 138.09 3ip3 n PRO 52 Ca -0.08 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.96 3ip3 n PRO 52 Cb 0.47 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.90 3ip3 n PRO 52 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3ip3 s LYS 53 N 2.22 3.28 0.24 0.54 2.47 -1.26 -4.84 119.74 122.39 3ip3 s LYS 53 Ca 0.00 0.89 -0.30 0.00 -1.56 0.00 0.00 55.97 55.01 3ip3 s LYS 53 Cb 0.00 -4.16 -0.09 0.00 -1.46 0.00 0.00 37.83 32.12 3ip3 s LYS 53 CO 0.00 -1.94 1.18 0.21 0.16 0.00 0.00 175.35 174.96 3ip3 s LYS 54 N 5.64 4.53 0.45 4.03 2.20 -1.26 -2.17 119.74 133.16 3ip3 s LYS 54 Ca 0.65 1.89 0.06 0.00 -0.36 0.00 0.00 55.97 58.21 3ip3 s LYS 54 Cb -0.15 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.93 3ip3 s LYS 54 CO 0.29 0.01 0.16 0.71 -0.36 0.00 0.00 175.35 176.15 3ip3 s TYR 55 N -0.58 2.28 0.00 4.03 1.51 -0.84 -4.95 117.35 118.80 3ip3 s TYR 55 Ca 0.49 -0.72 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 3ip3 s TYR 55 Cb -0.33 -1.86 0.00 0.00 -0.11 0.00 0.00 41.96 39.66 3ip3 s TYR 55 CO 0.40 0.12 0.37 0.09 -1.11 0.00 0.00 175.55 175.42 3ip3 n ASN 56 N -1.29 0.74 -3.55 2.29 3.02 -1.26 -4.30 115.26 110.91 3ip3 n ASN 56 Ca -0.05 -0.89 -0.15 0.00 -0.03 0.00 0.00 54.58 53.45 3ip3 n ASN 56 Cb 0.65 0.19 -0.12 0.00 -0.61 0.00 0.00 39.78 39.89 3ip3 n ASN 56 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3ip3 s ASN 57 N -0.19 0.82 0.32 6.41 3.84 -1.26 -4.84 114.94 120.04 3ip3 s ASN 57 Ca 0.00 0.17 0.16 0.00 0.21 0.00 0.00 52.86 53.40 3ip3 s ASN 57 Cb 0.00 0.60 0.43 0.00 -0.55 0.00 0.00 41.25 41.73 3ip3 s ASN 57 CO 0.00 -0.29 1.61 4.11 -2.79 0.00 0.00 177.10 179.75 3ip3 h TRP 58 N 8.29 0.00 0.10 0.43 5.08 -1.92 -3.33 115.95 124.59 3ip3 h TRP 58 Ca -0.16 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.81 3ip3 h TRP 58 Cb 1.14 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.30 3ip3 h TRP 58 CO 0.23 0.47 -0.06 2.35 -1.28 0.00 0.00 178.44 180.15 3ip3 h TRP 59 N 0.00 -0.15 0.00 0.12 2.91 -1.96 -0.86 115.95 116.02 3ip3 h TRP 59 Ca -0.00 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.01 3ip3 h TRP 59 Cb 1.11 0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.81 3ip3 h TRP 59 CO 0.00 -0.09 0.00 -0.85 -1.03 0.00 0.00 178.44 176.47 3ip3 n GLU 60 N -5.16 0.43 0.00 2.65 0.28 -1.25 -3.85 120.64 113.74 3ip3 n GLU 60 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 3ip3 n GLU 60 Cb 0.09 -1.28 0.00 0.00 1.43 0.00 0.00 31.44 31.68 3ip3 n GLU 60 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3ip3 n LEU 62 N 1.52 0.00 -0.91 -1.84 7.99 -0.33 -1.18 117.00 122.25 3ip3 n LEU 62 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 56.01 56.11 3ip3 n LEU 62 Cb 0.22 0.00 0.11 0.00 -0.11 0.00 0.00 43.42 43.64 3ip3 n LEU 62 CO 0.00 0.00 0.61 -1.84 -1.51 0.00 0.00 177.39 174.65 3ip3 n GLU 63 N 0.00 2.10 -0.13 3.23 -0.00 -1.25 -2.06 120.64 122.52 3ip3 n GLU 63 Ca 0.00 -1.88 -0.27 0.00 -0.00 0.00 0.00 57.16 55.01 3ip3 n GLU 63 Cb 0.00 -1.43 -0.09 0.00 -0.00 0.00 0.00 31.44 29.92 3ip3 n GLU 63 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3ip3 n LYS 64 N 1.25 0.58 0.11 3.44 5.02 -0.33 -4.65 118.16 123.59 3ip3 n LYS 64 Ca 0.14 0.29 -0.18 0.00 -2.02 0.00 0.00 58.31 56.54 3ip3 n LYS 64 Cb 0.55 -1.52 -0.14 0.00 -0.02 0.00 0.00 35.03 33.90 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 -1.00 0.34 -6.48 1.97 4.39 -1.79 -3.49 114.58 108.51 3ip3 h GLU 65 Ca -0.61 -0.57 -0.40 0.00 0.34 0.00 0.00 59.36 58.13 3ip3 h GLU 65 Cb 1.52 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.38 3ip3 h GLU 65 CO -0.37 1.27 -0.88 1.63 -1.16 0.00 0.00 179.01 179.50 3ip3 n LYS 66 N -3.58 -1.48 -1.91 2.33 5.02 -0.88 -4.94 118.16 112.73 3ip3 n LYS 66 Ca -0.10 0.89 -0.29 0.00 -2.02 0.00 0.00 58.31 56.79 3ip3 n LYS 66 Cb 1.04 -2.97 0.09 0.00 -0.02 0.00 0.00 35.03 33.17 3ip3 n LYS 66 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3ip3 s PRO 67 N -4.62 1.96 -0.13 1.97 0.04 -1.26 -5.01 135.00 127.95 3ip3 s PRO 67 Ca 0.01 0.09 -0.07 0.00 0.04 0.00 0.00 61.00 61.08 3ip3 s PRO 67 Cb -0.01 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 3ip3 s PRO 67 CO 0.87 -1.60 -0.13 -0.44 0.04 0.00 0.00 177.00 175.74 3ip3 h ASP 68 N -1.05 0.00 -3.32 6.66 3.32 0.11 -3.45 116.42 118.69 3ip3 h ASP 68 Ca -0.46 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 55.95 3ip3 h ASP 68 Cb 1.33 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.69 3ip3 h ASP 68 CO 0.66 0.69 -0.64 -0.63 -1.72 0.00 0.00 179.24 177.59 3ip3 s ILE 69 N -2.06 4.11 -0.27 0.35 1.01 -0.81 -2.38 121.20 121.15 3ip3 s ILE 69 Ca -0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 60.65 60.23 3ip3 s ILE 69 Cb 0.01 -2.79 0.03 0.00 0.01 0.00 0.00 42.46 39.72 3ip3 s ILE 69 CO 0.16 0.51 -0.02 -0.22 0.00 0.00 0.00 174.94 175.38 3ip3 s LEU 70 N 0.08 3.51 -0.44 2.97 2.96 -0.07 -1.37 118.68 126.32 3ip3 s LEU 70 Ca 0.01 -0.95 -0.21 0.00 -0.22 0.00 0.00 54.13 52.76 3ip3 s LEU 70 Cb -0.13 -1.72 0.02 0.00 0.50 0.00 0.00 46.19 44.86 3ip3 s LEU 70 CO 0.02 -0.18 0.65 -0.69 -1.32 0.00 0.00 176.35 174.83 3ip3 s VAL 71 N 1.34 4.82 -0.17 1.68 1.01 -0.25 -1.50 120.40 127.33 3ip3 s VAL 71 Ca -0.01 0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.02 3ip3 s VAL 71 Cb -0.18 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 3ip3 s VAL 71 CO -0.02 -0.60 0.04 -0.63 0.00 0.00 0.00 175.10 173.89 3ip3 s ILE 72 N 2.83 4.64 -0.43 2.22 1.01 -1.06 -2.06 121.20 128.35 3ip3 s ILE 72 Ca 0.23 -0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.83 3ip3 s ILE 72 Cb -0.14 -3.07 0.30 0.00 0.01 0.00 0.00 42.46 39.55 3ip3 s ILE 72 CO 0.19 0.47 1.14 -0.46 0.00 0.00 0.00 174.94 176.29 3ip3 n ASN 73 N 3.46 -2.13 -0.89 3.58 0.23 -1.10 -2.18 115.26 116.22 3ip3 n ASN 73 Ca -0.17 -3.06 0.00 0.00 -0.53 0.00 0.00 54.58 50.83 3ip3 n ASN 73 Cb 0.52 1.64 0.00 0.00 -2.08 0.00 0.00 39.78 39.86 3ip3 n ASN 73 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 3ip3 n THR 74 N 0.77 0.00 -1.46 5.53 5.66 -1.26 0.54 114.28 124.06 3ip3 n THR 74 Ca 0.04 0.00 -0.57 0.00 -3.05 0.00 0.00 64.05 60.47 3ip3 n THR 74 Cb 0.70 -0.74 -0.08 0.00 -1.55 0.00 0.00 70.33 68.66 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 -0.33 0.00 -0.28 1.08 0.31 -1.26 -4.65 118.33 113.20 3ip3 n VAL 75 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 3ip3 n VAL 75 Cb 0.00 -0.42 0.32 0.00 -0.91 0.00 0.00 33.84 32.83 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 4.32 0.92 0.00 3.52 0.04 -1.88 0.38 116.94 124.23 3ip3 h PHE 76 Ca -0.36 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.43 3ip3 h PHE 76 Cb 1.15 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 39.01 3ip3 h PHE 76 CO 0.56 0.40 0.00 -1.13 -0.60 0.00 0.00 178.31 177.53 3ip3 n SER 77 N -4.54 0.37 -0.06 2.17 3.41 -0.79 -2.93 113.62 111.25 3ip3 n SER 77 Ca 0.16 0.66 -0.03 0.00 -0.26 0.00 0.00 58.87 59.40 3ip3 n SER 77 Cb 0.35 -0.71 -0.13 0.00 -0.26 0.00 0.00 64.21 63.46 3ip3 n SER 77 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ip3 n LEU 78 N -1.99 0.00 -0.28 1.04 4.32 0.13 -4.48 117.00 115.74 3ip3 n LEU 78 Ca -0.01 0.00 0.08 0.00 -0.02 0.00 0.00 56.01 56.06 3ip3 n LEU 78 Cb 0.04 0.28 0.22 0.00 -1.62 0.00 0.00 43.42 42.35 3ip3 n LEU 78 CO 0.07 0.28 1.04 0.78 -1.22 0.00 0.00 177.39 178.35 3ip3 h ASN 79 N 0.00 0.34 0.05 -1.43 4.21 -1.43 0.12 115.58 117.44 3ip3 h ASN 79 Ca -0.31 0.12 -0.14 0.00 1.21 0.00 0.00 56.30 57.17 3ip3 h ASN 79 Cb 1.65 0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 38.92 3ip3 h ASN 79 CO 0.02 0.10 -0.49 1.23 -1.29 0.00 0.00 177.43 177.00 3ip3 h GLY 80 N 0.47 0.54 1.03 2.83 0.00 -1.77 0.14 103.07 106.32 3ip3 h GLY 80 Ca 0.46 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3ip3 h GLY 80 CO -0.43 0.53 0.48 0.50 0.00 0.00 0.00 176.54 177.62 3ip3 h LYS 81 N 0.40 1.22 -0.08 4.80 1.57 -1.32 -1.85 116.57 121.32 3ip3 h LYS 81 Ca 0.02 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.58 3ip3 h LYS 81 Cb 1.00 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3ip3 h LYS 81 CO 0.09 0.90 -0.22 0.82 -0.57 0.00 0.00 179.45 180.47 3ip3 h ILE 82 N 1.22 1.42 -0.63 1.86 2.04 -0.61 -3.19 117.51 119.62 3ip3 h ILE 82 Ca 0.31 -1.58 0.10 0.00 1.00 0.00 0.00 64.86 64.69 3ip3 h ILE 82 Cb 0.04 2.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.33 3ip3 h ILE 82 CO -0.05 0.45 0.42 0.25 0.00 0.00 0.00 178.15 179.22 3ip3 h LEU 83 N -0.20 0.39 -0.75 1.44 5.85 -0.69 -1.22 115.31 120.13 3ip3 h LEU 83 Ca -0.01 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3ip3 h LEU 83 Cb 0.84 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 3ip3 h LEU 83 CO 0.05 0.23 0.49 0.25 -0.34 0.00 0.00 178.44 179.11 3ip3 h LEU 84 N 0.43 0.83 0.20 2.25 5.85 -1.32 -2.32 115.31 121.22 3ip3 h LEU 84 Ca 0.29 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 3ip3 h LEU 84 Cb 0.58 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3ip3 h LEU 84 CO -0.08 0.59 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.17 3ip3 h GLU 85 N 0.98 -0.26 -1.06 1.25 4.39 -1.27 -3.03 114.58 115.57 3ip3 h GLU 85 Ca 0.29 0.02 0.28 0.00 0.34 0.00 0.00 59.36 60.29 3ip3 h GLU 85 Cb -0.06 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 28.57 3ip3 h GLU 85 CO -0.08 -0.00 0.70 0.00 -1.16 0.00 0.00 179.01 178.47 3ip3 h ALA 86 N 0.24 2.44 0.14 3.43 0.00 -1.15 -0.66 119.26 123.71 3ip3 h ALA 86 Ca -0.03 0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 3ip3 h ALA 86 Cb 0.38 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.24 3ip3 h ALA 86 CO 0.05 -0.83 -0.96 -0.07 0.00 0.00 0.00 179.25 177.44 3ip3 h LEU 87 N 0.29 0.59 -1.43 0.00 3.38 -1.43 0.51 115.31 117.22 3ip3 h LEU 87 Ca 0.58 -0.91 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 3ip3 h LEU 87 Cb 1.68 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 3ip3 h LEU 87 CO -0.23 1.45 -0.28 -0.33 0.09 0.00 0.00 178.44 179.15 3ip3 h GLU 88 N -0.18 0.00 -0.89 1.13 5.08 -1.25 -1.98 114.58 116.50 3ip3 h GLU 88 Ca -0.16 -0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.88 3ip3 h GLU 88 Cb 1.73 -0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.79 3ip3 h GLU 88 CO 0.18 0.29 0.40 0.54 -1.00 0.00 0.00 179.01 179.42 3ip3 n ARG 89 N -4.20 2.81 -0.49 2.33 1.74 -0.32 -4.95 116.66 113.58 3ip3 n ARG 89 Ca -0.02 -2.68 -0.01 0.00 -0.77 0.00 0.00 57.85 54.37 3ip3 n ARG 89 Cb 0.33 -2.08 -0.00 0.00 -1.02 0.00 0.00 32.46 29.69 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 -0.49 -1.94 -2.69 5.56 4.01 -0.74 -4.92 118.16 116.94 3ip3 n LYS 90 Ca 0.44 0.24 -0.41 0.00 -0.51 0.00 0.00 58.31 58.06 3ip3 n LYS 90 Cb 1.40 -3.66 -0.04 0.00 -0.51 0.00 0.00 35.03 32.22 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 -0.53 4.56 0.88 -0.18 1.01 0.18 -4.76 121.20 122.36 3ip3 s ILE 91 Ca 0.00 2.00 -0.11 0.00 0.00 0.00 0.00 60.65 62.54 3ip3 s ILE 91 Cb 0.00 -4.28 0.12 0.00 0.01 0.00 0.00 42.46 38.32 3ip3 s ILE 91 CO 0.00 0.24 1.17 -1.00 0.00 0.00 0.00 174.94 175.35 3ip3 s HIS 92 N 0.42 1.69 -0.09 3.97 3.76 -1.00 -4.21 115.29 119.83 3ip3 s HIS 92 Ca 0.50 1.75 -0.11 0.00 -0.15 0.00 0.00 55.06 57.05 3ip3 s HIS 92 Cb -0.23 -3.39 0.03 0.00 1.11 0.00 0.00 32.58 30.10 3ip3 s HIS 92 CO 0.29 -2.81 0.30 0.00 -0.85 0.00 0.00 174.74 171.67 3ip3 s ALA 93 N -2.49 -0.73 -0.39 -1.40 0.00 -0.96 -0.89 121.76 114.89 3ip3 s ALA 93 Ca 0.69 0.71 0.01 0.00 0.00 0.00 0.00 51.96 53.37 3ip3 s ALA 93 Cb -0.25 -0.37 0.13 0.00 0.00 0.00 0.00 23.12 22.64 3ip3 s ALA 93 CO 0.55 -0.17 0.21 0.12 0.00 0.00 0.00 175.76 176.48 3ip3 s PHE 94 N -0.17 1.55 0.22 0.00 5.36 -0.56 -2.79 117.98 121.58 3ip3 s PHE 94 Ca -0.03 -2.07 0.05 0.00 -0.96 0.00 0.00 56.93 53.93 3ip3 s PHE 94 Cb -0.03 -1.57 -0.03 0.00 -0.34 0.00 0.00 43.02 41.05 3ip3 s PHE 94 CO 0.01 -0.81 0.25 0.54 -1.46 0.00 0.00 175.22 173.75 3ip3 s VAL 95 N 0.77 4.82 0.37 3.12 0.11 -0.41 -2.57 120.40 126.60 3ip3 s VAL 95 Ca 0.16 -1.12 -0.23 0.00 -2.93 0.00 0.00 61.98 57.87 3ip3 s VAL 95 Cb -0.23 -3.56 -0.10 0.00 -1.53 0.00 0.00 36.38 30.95 3ip3 s VAL 95 CO -0.04 -0.26 0.92 -0.70 -3.33 0.00 0.00 175.10 171.70 3ip3 s GLU 96 N -3.65 4.36 0.04 1.54 2.56 -0.93 -4.16 118.70 118.47 3ip3 s GLU 96 Ca 0.33 1.17 -0.27 0.00 0.00 0.00 0.00 54.97 56.20 3ip3 s GLU 96 Cb -0.09 -2.48 -0.05 0.00 2.00 0.00 0.00 34.13 33.51 3ip3 s GLU 96 CO 0.26 0.13 0.85 -1.59 -0.56 0.00 0.00 175.26 174.35 3ip3 s LYS 97 N -2.65 4.56 0.48 4.30 0.00 -1.26 -3.70 119.74 121.47 3ip3 s LYS 97 Ca 0.56 1.22 -0.13 0.00 0.00 0.00 0.00 55.97 57.61 3ip3 s LYS 97 Cb -0.13 -3.39 -0.07 0.00 0.00 0.00 0.00 37.83 34.23 3ip3 s LYS 97 CO 0.18 0.18 0.90 -1.25 0.00 0.00 0.00 175.35 175.36 3ip3 s PRO 98 N 0.25 3.85 0.00 1.78 0.04 -1.25 -4.81 135.00 134.85 3ip3 s PRO 98 Ca 0.43 0.73 0.25 0.00 0.04 0.00 0.00 61.00 62.45 3ip3 s PRO 98 Cb -0.21 -2.24 1.29 0.00 0.04 0.00 0.00 34.50 33.38 3ip3 s PRO 98 CO 0.25 -0.20 1.85 0.44 0.04 0.00 0.00 177.00 179.38 3ip3 n ILE 99 N -1.56 0.18 -3.81 0.56 -5.35 -1.24 -4.79 119.36 103.35 3ip3 n ILE 99 Ca 0.05 0.05 -0.09 0.00 -0.27 0.00 0.00 62.75 62.48 3ip3 n ILE 99 Cb 0.54 -0.63 -0.03 0.00 -1.74 0.00 0.00 39.64 37.77 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 -2.54 -0.92 0.00 -1.28 0.00 -1.26 -3.57 121.76 112.20 3ip3 s ALA 100 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.87 3ip3 s ALA 100 Cb 0.17 0.90 0.00 0.00 0.00 0.00 0.00 23.12 24.19 3ip3 s ALA 100 CO 0.38 -0.88 0.16 0.25 0.00 0.00 0.00 175.76 175.67 3ip3 n THR 101 N -0.39 0.00 -4.18 0.00 -2.24 -1.26 -4.99 114.28 101.22 3ip3 n THR 101 Ca -0.07 -0.23 -0.14 0.00 -2.27 0.00 0.00 64.05 61.34 3ip3 n THR 101 Cb 0.61 1.38 -0.11 0.00 -2.10 0.00 0.00 70.33 70.12 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 -0.13 0.96 0.31 4.28 -4.23 -1.26 -4.94 115.64 110.63 3ip3 s THR 102 Ca 0.00 -1.68 0.03 0.00 -1.18 0.00 0.00 61.69 58.87 3ip3 s THR 102 Cb 0.00 -1.40 0.12 0.00 1.34 0.00 0.00 72.50 72.56 3ip3 s THR 102 CO 0.00 -0.57 1.81 -0.26 -0.54 0.00 0.00 174.62 175.06 3ip3 h PHE 103 N 3.50 0.56 -0.41 3.99 0.04 -1.99 -1.85 116.94 120.79 3ip3 h PHE 103 Ca -0.37 -0.08 0.08 0.00 2.80 0.00 0.00 57.97 60.40 3ip3 h PHE 103 Cb 1.19 -0.15 -0.08 0.00 2.20 0.00 0.00 35.95 39.11 3ip3 h PHE 103 CO 0.63 0.60 -0.09 0.93 -0.60 0.00 0.00 178.31 179.78 3ip3 h GLU 104 N 0.49 0.01 -0.00 1.51 5.08 -1.99 -1.12 114.58 118.55 3ip3 h GLU 104 Ca 0.09 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3ip3 h GLU 104 Cb 0.46 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 3ip3 h GLU 104 CO 0.02 0.00 0.00 -0.44 -1.00 0.00 0.00 179.01 177.60 3ip3 h ASP 105 N 0.01 0.01 -0.42 1.42 5.19 -1.82 -2.99 116.42 117.80 3ip3 h ASP 105 Ca 0.20 -0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 56.47 3ip3 h ASP 105 Cb 0.30 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 3ip3 h ASP 105 CO -0.41 0.10 0.14 0.25 -3.12 0.00 0.00 179.24 176.20 3ip3 h LEU 106 N -0.09 0.67 -0.89 1.55 5.85 -1.15 -2.73 115.31 118.51 3ip3 h LEU 106 Ca 0.00 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 3ip3 h LEU 106 Cb 0.10 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3ip3 h LEU 106 CO -0.00 0.65 -0.32 -0.08 -0.34 0.00 0.00 178.44 178.35 3ip3 h GLU 107 N 0.71 0.00 -0.40 1.25 4.57 -1.19 -1.09 114.58 118.42 3ip3 h GLU 107 Ca 0.16 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.30 3ip3 h GLU 107 Cb 0.24 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 3ip3 h GLU 107 CO -0.01 0.32 0.07 0.87 -1.18 0.00 0.00 179.01 179.09 3ip3 h LYS 108 N 0.00 0.66 -0.07 1.92 1.57 -1.34 -2.79 116.57 116.52 3ip3 h LYS 108 Ca -0.00 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.47 3ip3 h LYS 108 Cb 0.89 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 3ip3 h LYS 108 CO 0.04 0.70 -0.57 0.82 -0.57 0.00 0.00 179.45 179.87 3ip3 h ILE 109 N 0.52 1.38 0.08 1.86 2.04 -1.17 -1.10 117.51 121.12 3ip3 h ILE 109 Ca 0.12 -1.91 -0.28 0.00 1.00 0.00 0.00 64.86 63.79 3ip3 h ILE 109 Cb 0.36 1.96 0.02 0.00 -0.74 0.00 0.00 36.82 38.42 3ip3 h ILE 109 CO 0.01 0.56 -1.16 -0.09 0.00 0.00 0.00 178.15 177.47 3ip3 h ARG 110 N 0.17 0.56 0.08 2.37 2.43 -1.28 -1.22 114.38 117.48 3ip3 h ARG 110 Ca -0.00 -0.71 -0.00 0.00 -0.81 0.00 0.00 59.98 58.45 3ip3 h ARG 110 Cb 1.06 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3ip3 h ARG 110 CO 0.09 1.31 -0.04 1.03 -1.51 0.00 0.00 179.97 180.85 3ip3 h SER 111 N 0.27 -0.09 -0.14 -3.80 0.87 -1.44 -3.14 113.55 106.08 3ip3 h SER 111 Ca -0.15 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.29 3ip3 h SER 111 Cb 1.83 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.81 3ip3 h SER 111 CO 0.22 0.05 0.02 0.58 -0.53 0.00 0.00 176.83 177.16 3ip3 h VAL 112 N -0.21 1.23 -0.15 2.23 2.07 -1.27 -3.19 116.25 116.95 3ip3 h VAL 112 Ca -0.01 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.79 3ip3 h VAL 112 Cb 0.18 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3ip3 h VAL 112 CO 0.02 0.22 0.03 0.22 0.02 0.00 0.00 177.57 178.07 3ip3 h TYR 113 N 0.00 0.05 0.00 1.57 3.20 -1.27 -1.35 116.97 119.18 3ip3 h TYR 113 Ca 0.04 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 3ip3 h TYR 113 Cb 0.32 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3ip3 h TYR 113 CO 0.02 0.02 -0.20 -0.56 -1.64 0.00 0.00 178.16 175.80 3ip3 h GLN 114 N 0.09 0.00 0.00 1.82 3.07 -1.65 0.49 115.11 118.93 3ip3 h GLN 114 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.77 3ip3 h GLN 114 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.62 3ip3 h GLN 114 CO -0.09 0.20 -0.16 -0.22 0.09 0.00 0.00 178.83 178.65 3ip3 h LYS 115 N 0.00 0.00 0.00 0.06 1.63 -1.26 -3.30 116.57 113.71 3ip3 h LYS 115 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3ip3 h LYS 115 Cb 0.40 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 3ip3 h LYS 115 CO 0.03 0.16 -0.11 1.33 -3.45 0.00 0.00 179.45 177.41 3ip3 n VAL 116 N -3.38 0.80 0.23 2.00 0.24 -0.45 -4.91 118.33 112.86 3ip3 n VAL 116 Ca -0.00 -0.90 0.08 0.00 -2.04 0.00 0.00 64.34 61.47 3ip3 n VAL 116 Cb 0.36 0.41 0.62 0.00 -1.47 0.00 0.00 33.84 33.76 3ip3 n VAL 116 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 3ip3 h ARG 117 N 0.00 0.05 0.00 7.34 0.11 -0.16 -2.75 114.38 118.97 3ip3 h ARG 117 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3ip3 h ARG 117 Cb 0.95 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.02 3ip3 h ARG 117 CO 0.00 0.03 0.00 -0.91 0.10 0.00 0.00 179.97 179.19 3ip3 h ASN 118 N 0.05 0.00 0.00 0.08 4.21 -1.87 -3.28 115.58 114.76 3ip3 h ASN 118 Ca 0.02 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 57.16 3ip3 h ASN 118 Cb 0.01 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.16 3ip3 h ASN 118 CO -0.00 0.00 -2.27 -0.62 -1.29 0.00 0.00 177.43 173.25 3ip3 n GLU 119 N -2.59 0.50 -3.89 0.81 4.71 -1.11 -5.04 120.64 114.03 3ip3 n GLU 119 Ca 0.04 0.19 -0.33 0.00 -0.01 0.00 0.00 57.16 57.05 3ip3 n GLU 119 Cb 0.40 -1.35 -0.05 0.00 -1.01 0.00 0.00 31.44 29.44 3ip3 n GLU 119 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3ip3 s VAL 120 N -2.42 5.42 0.07 2.62 0.11 -1.05 -5.05 120.40 120.08 3ip3 s VAL 120 Ca -0.31 -0.15 0.10 0.00 -2.93 0.00 0.00 61.98 58.69 3ip3 s VAL 120 Cb 0.11 -3.55 -0.03 0.00 -1.53 0.00 0.00 36.38 31.38 3ip3 s VAL 120 CO 0.43 0.31 -0.26 0.12 -3.33 0.00 0.00 175.10 172.37 3ip3 s PHE 121 N -1.34 2.34 0.08 1.54 5.36 -1.26 -4.61 117.98 120.08 3ip3 s PHE 121 Ca 0.28 -0.39 -0.11 0.00 -0.96 0.00 0.00 56.93 55.75 3ip3 s PHE 121 Cb -0.13 -1.36 0.01 0.00 -0.34 0.00 0.00 43.02 41.20 3ip3 s PHE 121 CO 0.19 0.19 0.26 -0.59 -1.46 0.00 0.00 175.22 173.81 3ip3 s PHE 122 N -0.88 0.01 0.27 10.12 -0.71 -1.26 -2.27 117.98 123.26 3ip3 s PHE 122 Ca 0.13 -0.32 -0.18 0.00 -1.04 0.00 0.00 56.93 55.52 3ip3 s PHE 122 Cb -0.10 0.04 0.01 0.00 -1.21 0.00 0.00 43.02 41.76 3ip3 s PHE 122 CO 0.03 -0.54 0.63 -0.08 -1.34 0.00 0.00 175.22 173.92 3ip3 s THR 123 N -3.33 0.00 0.00 -4.49 -1.32 -1.12 -3.72 115.64 101.66 3ip3 s THR 123 Ca 0.01 -1.16 0.00 0.00 -1.21 0.00 0.00 61.69 59.33 3ip3 s THR 123 Cb 0.02 -2.08 0.00 0.00 -1.51 0.00 0.00 72.50 68.93 3ip3 s THR 123 CO -0.08 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.33 3ip3 n ALA 124 N -0.43 0.00 0.00 11.08 0.00 -1.26 -1.29 120.51 128.61 3ip3 n ALA 124 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3ip3 n ALA 124 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.15 0.00 3.72 -1.26 -4.88 117.46 114.89 3ip3 n PHE 126 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 3ip3 n PHE 126 Cb 0.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 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 0.99 -0.51 1.37 0.00 -2.01 -3.14 103.07 99.77 3ip3 h GLY 127 Ca 0.00 -0.87 0.31 0.00 0.00 0.00 0.00 47.33 46.77 3ip3 h GLY 127 CO 0.00 0.79 0.96 -2.22 0.00 0.00 0.00 176.54 176.07 3ip3 h ILE 128 N 0.75 0.20 -0.94 2.60 2.04 -1.99 0.31 117.51 120.47 3ip3 h ILE 128 Ca 0.10 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.09 3ip3 h ILE 128 Cb 0.75 0.27 -0.08 0.00 -0.74 0.00 0.00 36.82 37.02 3ip3 h ILE 128 CO 0.06 0.00 0.57 0.03 0.00 0.00 0.00 178.15 178.81 3ip3 h ARG 129 N 0.00 0.86 -0.01 2.37 3.08 -1.95 -2.59 114.38 116.13 3ip3 h ARG 129 Ca 0.50 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.50 3ip3 h ARG 129 Cb 2.41 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 32.27 3ip3 h ARG 129 CO -0.01 0.57 -0.00 0.66 -1.07 0.00 0.00 179.97 180.12 3ip3 n TYR 130 N -4.69 0.00 -1.47 3.04 4.02 0.11 -3.60 117.16 114.56 3ip3 n TYR 130 Ca 0.18 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.74 3ip3 n TYR 130 Cb 0.36 -0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.75 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 -2.01 2.36 0.26 -0.72 0.52 -0.98 -1.42 118.95 116.95 3ip3 s ARG 131 Ca 0.41 1.45 -0.02 0.00 -0.52 0.00 0.00 55.73 57.05 3ip3 s ARG 131 Cb 0.21 -1.89 0.32 0.00 0.52 0.00 0.00 34.95 34.12 3ip3 s ARG 131 CO 0.35 -1.61 1.77 -1.35 0.02 0.00 0.00 175.30 174.48 3ip3 h PRO 132 N -0.47 0.83 -0.30 3.54 0.11 -1.86 -2.07 132.00 131.78 3ip3 h PRO 132 Ca -0.46 -0.21 -0.10 0.00 0.11 0.00 0.00 66.00 65.34 3ip3 h PRO 132 Cb 1.26 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3ip3 h PRO 132 CO 0.51 0.81 -0.21 1.12 -0.21 0.00 0.00 178.00 180.02 3ip3 h HIS 133 N 0.78 0.80 -0.60 0.65 2.07 -1.88 -1.42 115.15 115.55 3ip3 h HIS 133 Ca 0.16 -0.22 -0.10 0.00 -2.85 0.00 0.00 60.37 57.36 3ip3 h HIS 133 Cb 0.42 -0.18 -0.02 0.00 2.57 0.00 0.00 27.41 30.20 3ip3 h HIS 133 CO 0.02 0.93 -0.00 0.74 -3.07 0.00 0.00 177.93 176.55 3ip3 h PHE 134 N 0.43 1.15 -0.09 6.12 0.04 -1.83 -1.36 116.94 121.41 3ip3 h PHE 134 Ca 0.06 -0.20 -0.04 0.00 2.80 0.00 0.00 57.97 60.59 3ip3 h PHE 134 Cb 0.76 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 3ip3 h PHE 134 CO 0.07 1.02 -0.11 -0.07 -0.60 0.00 0.00 178.31 178.62 3ip3 h LEU 135 N 0.95 0.12 -0.14 1.54 3.38 -1.37 -2.02 115.31 117.78 3ip3 h LEU 135 Ca 0.17 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 3ip3 h LEU 135 Cb 0.56 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3ip3 h LEU 135 CO 0.03 0.26 -0.40 0.74 0.09 0.00 0.00 178.44 179.16 3ip3 h THR 136 N 0.13 1.36 0.40 0.22 2.02 -0.87 -2.01 112.91 114.16 3ip3 h THR 136 Ca 0.03 -1.69 -0.01 0.00 0.77 0.00 0.00 66.41 65.51 3ip3 h THR 136 Cb 0.28 2.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 3ip3 h THR 136 CO 0.02 0.51 -0.28 0.00 0.37 0.00 0.00 175.52 176.13 3ip3 h ALA 137 N 0.52 -0.67 -0.62 6.16 0.00 -1.12 -0.66 119.26 122.87 3ip3 h ALA 137 Ca -0.01 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.89 3ip3 h ALA 137 Cb 1.02 0.37 -0.12 0.00 0.00 0.00 0.00 17.79 19.06 3ip3 h ALA 137 CO 0.09 -0.89 -0.34 -0.22 0.00 0.00 0.00 179.25 177.89 3ip3 h LYS 138 N -0.67 -0.14 -0.31 0.00 1.63 -1.45 -0.05 116.57 115.59 3ip3 h LYS 138 Ca -0.04 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.83 3ip3 h LYS 138 Cb 0.57 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 32.17 3ip3 h LYS 138 CO 0.02 -0.09 -0.04 -0.22 -3.45 0.00 0.00 179.45 175.66 3ip3 h LYS 139 N -0.15 0.04 0.07 1.90 3.64 -1.04 0.17 116.57 121.21 3ip3 h LYS 139 Ca 0.24 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3ip3 h LYS 139 Cb 0.55 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3ip3 h LYS 139 CO -0.70 0.02 -0.03 -0.07 -2.27 0.00 0.00 179.45 176.40 3ip3 h LEU 140 N 0.04 -0.08 -0.38 5.20 3.38 -0.09 -1.11 115.31 122.28 3ip3 h LEU 140 Ca 0.15 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3ip3 h LEU 140 Cb 0.22 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3ip3 h LEU 140 CO -0.29 0.05 0.20 0.58 0.09 0.00 0.00 178.44 179.07 3ip3 h VAL 141 N -0.21 1.00 0.00 1.22 2.07 -0.85 -1.25 116.25 118.23 3ip3 h VAL 141 Ca -0.01 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3ip3 h VAL 141 Cb 0.17 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3ip3 h VAL 141 CO 0.02 0.07 -0.11 -1.28 0.02 0.00 0.00 177.57 176.29 3ip3 h SER 142 N 0.41 0.00 0.56 0.57 0.87 -0.52 -2.43 113.55 113.01 3ip3 h SER 142 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3ip3 h SER 142 Cb 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 3ip3 h SER 142 CO -0.09 0.11 -0.20 -0.62 -0.53 0.00 0.00 176.83 175.50 3ip3 n GLU 143 N -4.00 0.32 0.00 2.24 1.02 -0.43 -4.92 120.64 114.87 3ip3 n GLU 143 Ca -0.02 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 3ip3 n GLU 143 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 1.40 1.03 0.10 0.62 0.00 -0.92 -5.02 105.19 102.40 3ip3 n GLY 144 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 0.21 -0.01 4.61 0.00 -1.42 -2.51 119.26 120.14 3ip3 h ALA 145 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ip3 h ALA 145 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ip3 h ALA 145 CO 0.00 -0.31 -0.17 1.33 0.00 0.00 0.00 179.25 180.11 3ip3 n VAL 146 N -4.97 0.00 -2.67 0.00 0.24 -1.26 -4.16 118.33 105.51 3ip3 n VAL 146 Ca -0.04 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 3ip3 n VAL 146 Cb 0.03 0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 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 1.29 1.31 3.69 7.63 0.00 -0.95 -0.82 105.19 117.34 3ip3 n GLY 147 Ca 0.14 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 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 4.35 0.19 1.61 2.12 -1.26 -4.73 118.70 120.98 3ip3 s GLU 148 Ca 0.00 0.88 -0.30 0.00 0.36 0.00 0.00 54.97 55.91 3ip3 s GLU 148 Cb 0.00 -3.51 -0.09 0.00 0.26 0.00 0.00 34.13 30.79 3ip3 s GLU 148 CO 0.00 -0.13 1.33 0.42 -0.54 0.00 0.00 175.26 176.35 3ip3 s ILE 149 N 1.46 3.18 -0.05 -3.70 1.01 -1.26 -0.64 121.20 121.20 3ip3 s ILE 149 Ca 0.36 0.95 0.01 0.00 0.00 0.00 0.00 60.65 61.97 3ip3 s ILE 149 Cb -0.17 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 3ip3 s ILE 149 CO 0.15 0.13 -0.03 0.54 0.00 0.00 0.00 174.94 175.72 3ip3 n ARG 150 N 2.85 0.55 -3.81 2.79 5.12 0.93 -4.85 116.66 120.24 3ip3 n ARG 150 Ca 0.07 0.02 -0.13 0.00 -1.93 0.00 0.00 57.85 55.89 3ip3 n ARG 150 Cb 0.42 -1.09 -0.12 0.00 -1.16 0.00 0.00 32.46 30.50 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 -5.15 1.31 -0.05 0.55 2.96 -0.58 -2.66 118.68 115.06 3ip3 s LEU 151 Ca -0.06 0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 3ip3 s LEU 151 Cb 0.02 0.57 0.02 0.00 0.50 0.00 0.00 46.19 47.29 3ip3 s LEU 151 CO 0.12 -0.06 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.33 3ip3 s VAL 152 N 0.16 0.66 -0.12 1.68 1.01 -0.34 -0.20 120.40 123.26 3ip3 s VAL 152 Ca -0.01 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3ip3 s VAL 152 Cb -0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 3ip3 s VAL 152 CO -0.00 0.26 -0.17 0.20 0.00 0.00 0.00 175.10 175.38 3ip3 s ASN 153 N 0.94 3.68 0.01 3.32 0.02 0.39 -0.48 114.94 122.81 3ip3 s ASN 153 Ca -0.11 -0.41 0.04 0.00 -1.02 0.00 0.00 52.86 51.36 3ip3 s ASN 153 Cb -0.14 -1.54 -0.01 0.00 0.02 0.00 0.00 41.25 39.57 3ip3 s ASN 153 CO 0.00 0.16 -0.13 0.42 0.02 0.00 0.00 177.10 177.57 3ip3 s THR 154 N 0.37 1.04 -0.06 1.60 -4.23 0.38 -0.25 115.64 114.49 3ip3 s THR 154 Ca -0.14 -0.73 0.04 0.00 -1.18 0.00 0.00 61.69 59.68 3ip3 s THR 154 Cb -0.17 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 72.77 3ip3 s THR 154 CO 0.07 0.17 -0.17 -1.58 -0.54 0.00 0.00 174.62 172.57 3ip3 s GLN 155 N -0.64 1.90 -0.15 3.99 0.74 -0.32 -0.65 119.66 124.52 3ip3 s GLN 155 Ca 0.03 -0.58 0.00 0.00 0.05 0.00 0.00 55.36 54.86 3ip3 s GLN 155 Cb -0.06 -1.59 0.03 0.00 1.10 0.00 0.00 33.01 32.49 3ip3 s GLN 155 CO 0.00 0.18 -0.11 0.15 -0.55 0.00 0.00 175.29 174.96 3ip3 s LYS 156 N 0.24 1.95 -0.24 1.67 -0.14 0.10 -2.68 119.74 120.64 3ip3 s LYS 156 Ca -0.08 -0.54 -0.04 0.00 -1.36 0.00 0.00 55.97 53.94 3ip3 s LYS 156 Cb -0.13 -2.04 0.08 0.00 -1.68 0.00 0.00 37.83 34.06 3ip3 s LYS 156 CO 0.03 -0.31 0.10 0.45 -0.76 0.00 0.00 175.35 174.86 3ip3 s SER 157 N 1.54 3.13 0.06 2.83 0.15 -1.06 -0.46 113.70 119.89 3ip3 s SER 157 Ca 0.03 -1.05 0.05 0.00 0.70 0.00 0.00 55.95 55.68 3ip3 s SER 157 Cb -0.14 -0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 63.73 3ip3 s SER 157 CO -0.09 -0.39 -0.07 -0.31 1.20 0.00 0.00 173.24 173.57 3ip3 s TYR 158 N 2.03 2.84 0.08 3.44 2.02 -0.63 -0.35 117.35 126.78 3ip3 s TYR 158 Ca 0.06 -0.09 -0.31 0.00 -0.37 0.00 0.00 57.07 56.36 3ip3 s TYR 158 Cb -0.16 -1.52 -0.08 0.00 -0.40 0.00 0.00 41.96 39.79 3ip3 s TYR 158 CO -0.23 0.41 1.56 0.15 -1.57 0.00 0.00 175.55 175.87 3ip3 s LYS 159 N -1.88 4.23 -0.09 -0.62 1.02 -0.63 -2.88 119.74 118.89 3ip3 s LYS 159 Ca 0.20 2.25 -0.12 0.00 0.02 0.00 0.00 55.97 58.32 3ip3 s LYS 159 Cb -0.11 -3.46 -0.09 0.00 -0.52 0.00 0.00 37.83 33.65 3ip3 s LYS 159 CO 0.12 -0.65 0.41 1.25 -0.92 0.00 0.00 175.35 175.56 3ip3 h LEU 160 N 7.94 -0.10 0.00 3.17 5.85 -1.78 -3.49 115.31 126.91 3ip3 h LEU 160 Ca -0.42 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.03 3ip3 h LEU 160 Cb 1.20 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3ip3 h LEU 160 CO 0.91 0.51 0.00 0.61 -0.34 0.00 0.00 178.44 180.13 3ip3 n GLY 161 N 1.34 1.71 3.73 3.75 0.00 -1.26 -4.63 105.19 109.84 3ip3 n GLY 161 Ca -0.04 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 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 3.33 0.10 1.61 0.74 -1.26 -5.12 119.66 119.07 3ip3 s GLN 162 Ca 0.00 -0.31 -0.00 0.00 0.05 0.00 0.00 55.36 55.10 3ip3 s GLN 162 Cb 0.00 -3.00 -0.04 0.00 1.10 0.00 0.00 33.01 31.07 3ip3 s GLN 162 CO 0.00 0.63 -0.00 1.03 -0.55 0.00 0.00 175.29 176.40 3ip3 s ARG 163 N -0.66 0.83 1.05 1.67 1.81 -1.26 -5.17 118.95 117.21 3ip3 s ARG 163 Ca 0.11 -1.36 -0.17 0.00 -1.72 0.00 0.00 55.73 52.59 3ip3 s ARG 163 Cb -0.12 0.09 0.10 0.00 -0.45 0.00 0.00 34.95 34.57 3ip3 s ARG 163 CO 0.02 -0.15 -0.03 -2.30 -0.68 0.00 0.00 175.30 172.16 3ip3 n PRO 164 N -0.04 -1.73 0.08 3.54 -0.02 -1.26 -4.96 135.00 130.61 3ip3 n PRO 164 Ca -0.10 -0.50 -0.05 0.00 -2.02 0.00 0.00 63.50 60.83 3ip3 n PRO 164 Cb 0.62 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.53 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 -2.25 0.00 1.01 2.55 3.32 -2.02 -3.27 116.42 115.77 3ip3 h ASP 165 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3ip3 h ASP 165 Cb 1.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.61 3ip3 h ASP 165 CO 0.25 0.91 0.00 2.19 -1.72 0.00 0.00 179.24 180.87 3ip3 h PHE 166 N 0.00 0.00 -0.53 4.55 -5.15 -1.94 -1.87 116.94 112.00 3ip3 h PHE 166 Ca -0.01 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.77 3ip3 h PHE 166 Cb 1.66 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.80 3ip3 h PHE 166 CO 0.00 0.00 0.35 1.88 -2.00 0.00 0.00 178.31 178.54 3ip3 h TYR 167 N 0.00 0.65 -0.00 6.09 -1.99 -1.91 -2.79 116.97 117.01 3ip3 h TYR 167 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3ip3 h TYR 167 Cb 0.51 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 39.02 3ip3 h TYR 167 CO 0.00 0.40 -0.00 1.63 -0.00 0.00 0.00 178.16 180.19 3ip3 n LYS 168 N -4.46 0.98 -5.08 4.88 5.02 -0.70 -4.33 118.16 114.47 3ip3 n LYS 168 Ca 0.05 -0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 3ip3 n LYS 168 Cb 0.07 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.42 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 -2.05 2.27 0.16 1.97 -0.14 -1.21 -2.51 119.74 118.23 3ip3 s LYS 169 Ca 0.46 -0.78 -0.14 0.00 -1.36 0.00 0.00 55.97 54.16 3ip3 s LYS 169 Cb 0.22 -1.92 0.05 0.00 -1.68 0.00 0.00 37.83 34.50 3ip3 s LYS 169 CO 0.38 0.31 1.75 -0.09 -0.76 0.00 0.00 175.35 176.93 3ip3 h ARG 170 N 6.20 0.76 -0.99 1.68 9.65 -1.86 0.66 114.38 130.49 3ip3 h ARG 170 Ca -0.31 -0.11 0.32 0.00 -1.10 0.00 0.00 59.98 58.78 3ip3 h ARG 170 Cb 1.18 -0.14 -0.18 0.00 -1.39 0.00 0.00 29.97 29.44 3ip3 h ARG 170 CO 0.47 0.62 0.24 1.49 2.80 0.00 0.00 179.97 185.59 3ip3 h GLU 171 N 0.71 0.03 0.00 0.20 4.81 -1.95 -2.11 114.58 116.27 3ip3 h GLU 171 Ca 0.18 -0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.28 3ip3 h GLU 171 Cb 0.10 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3ip3 h GLU 171 CO -0.02 0.02 -1.65 0.25 -0.73 0.00 0.00 179.01 176.87 3ip3 n THR 172 N -5.38 0.49 0.05 0.32 -2.24 -1.18 -4.71 114.28 101.64 3ip3 n THR 172 Ca 0.29 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 3ip3 n THR 172 Cb 0.95 -0.42 -0.14 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.00 0.28 0.00 4.78 3.20 -0.57 -2.09 116.97 122.57 3ip3 h TYR 173 Ca -0.19 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.47 3ip3 h TYR 173 Cb 1.29 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.55 3ip3 h TYR 173 CO 0.00 1.24 0.00 0.41 -1.64 0.00 0.00 178.16 178.17 3ip3 n GLY 174 N 1.59 2.22 0.00 1.82 0.00 -0.80 -4.77 105.19 105.25 3ip3 n GLY 174 Ca -0.13 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 4.06 0.19 -0.02 0.00 -1.26 -4.82 105.19 103.35 3ip3 n GLY 175 Ca 0.00 -1.61 -0.08 0.00 0.00 0.00 0.00 46.02 44.33 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 1.25 1.35 0.48 2.61 2.02 -1.91 0.06 112.91 118.77 3ip3 h THR 176 Ca 0.00 -1.92 -0.02 0.00 0.77 0.00 0.00 66.41 65.24 3ip3 h THR 176 Cb 0.00 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 3ip3 h THR 176 CO 0.00 0.58 -0.23 0.40 0.37 0.00 0.00 175.52 176.64 3ip3 h ILE 177 N 0.33 0.51 -0.59 3.11 2.04 -1.93 0.34 117.51 121.32 3ip3 h ILE 177 Ca -0.01 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.70 3ip3 h ILE 177 Cb 1.14 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 3ip3 h ILE 177 CO 0.11 0.03 0.39 -0.65 0.00 0.00 0.00 178.15 178.03 3ip3 h PRO 178 N -0.77 0.63 0.00 2.37 0.11 -1.79 0.99 132.00 133.55 3ip3 h PRO 178 Ca -0.07 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 3ip3 h PRO 178 Cb 0.55 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 3ip3 h PRO 178 CO 0.11 0.42 -0.03 2.35 -0.21 0.00 0.00 178.00 180.64 3ip3 h TRP 179 N 0.65 0.00 0.07 0.65 -0.00 -0.90 -3.33 115.95 113.09 3ip3 h TRP 179 Ca 0.24 0.00 -0.36 0.00 -0.00 0.00 0.00 58.89 58.78 3ip3 h TRP 179 Cb 0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 29.27 3ip3 h TRP 179 CO -0.00 0.44 -2.02 0.28 -0.00 0.00 0.00 178.44 177.13 3ip3 n VAL 180 N -4.70 1.66 0.10 2.65 0.31 0.12 -4.46 118.33 114.01 3ip3 n VAL 180 Ca -0.05 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 3ip3 n VAL 180 Cb 0.21 -1.73 0.32 0.00 -0.91 0.00 0.00 33.84 31.73 3ip3 n VAL 180 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3ip3 h GLY 181 N 0.79 0.26 1.21 2.92 0.00 -0.48 -3.26 103.07 104.52 3ip3 h GLY 181 Ca -0.47 -0.20 0.11 0.00 0.00 0.00 0.00 47.33 46.77 3ip3 h GLY 181 CO -0.04 0.18 0.29 1.19 0.00 0.00 0.00 176.54 178.16 3ip3 h ILE 182 N 0.22 0.73 -0.38 2.60 2.10 -1.55 -0.27 117.51 120.95 3ip3 h ILE 182 Ca 0.04 0.00 0.03 0.00 1.08 0.00 0.00 64.86 66.01 3ip3 h ILE 182 Cb 0.56 0.79 -0.03 0.00 -1.09 0.00 0.00 36.82 37.06 3ip3 h ILE 182 CO 0.04 0.00 0.19 0.45 -1.08 0.00 0.00 178.15 177.74 3ip3 h HIS 183 N 0.00 0.34 -0.14 2.19 3.86 -1.85 -1.42 115.15 118.14 3ip3 h HIS 183 Ca 0.18 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.24 3ip3 h HIS 183 Cb 0.75 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.12 3ip3 h HIS 183 CO 0.00 0.18 -0.62 0.00 0.86 0.00 0.00 177.93 178.34 3ip3 h ALA 184 N 1.20 0.66 0.05 2.45 0.00 -1.29 -1.34 119.26 121.00 3ip3 h ALA 184 Ca 0.16 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.55 3ip3 h ALA 184 Cb 0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3ip3 h ALA 184 CO -0.12 0.71 -0.23 0.82 0.00 0.00 0.00 179.25 180.43 3ip3 h ILE 185 N 0.36 0.47 -0.80 0.00 2.04 -1.29 0.50 117.51 118.79 3ip3 h ILE 185 Ca -0.01 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.00 3ip3 h ILE 185 Cb 1.18 0.47 -0.10 0.00 -0.74 0.00 0.00 36.82 37.63 3ip3 h ILE 185 CO 0.11 0.00 0.36 -0.78 0.00 0.00 0.00 178.15 177.84 3ip3 h ASP 186 N -0.39 0.38 -0.06 1.72 3.58 -1.18 0.94 116.42 121.40 3ip3 h ASP 186 Ca 0.05 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.60 3ip3 h ASP 186 Cb 0.45 0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 3ip3 h ASP 186 CO -0.18 0.14 0.04 -0.50 -2.88 0.00 0.00 179.24 175.86 3ip3 h TRP 187 N 0.51 0.07 0.17 0.28 6.55 -0.14 0.65 115.95 124.04 3ip3 h TRP 187 Ca 0.44 0.00 0.01 0.00 0.95 0.00 0.00 58.89 60.29 3ip3 h TRP 187 Cb 0.65 -0.02 -0.02 0.00 -0.86 0.00 0.00 29.16 28.92 3ip3 h TRP 187 CO -0.14 0.04 -0.19 0.82 -1.05 0.00 0.00 178.44 177.93 3ip3 h ILE 188 N 0.08 0.59 -0.50 1.49 2.04 -0.36 0.70 117.51 121.54 3ip3 h ILE 188 Ca 0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.95 3ip3 h ILE 188 Cb -0.00 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 36.61 3ip3 h ILE 188 CO -0.01 0.00 0.18 -0.74 0.00 0.00 0.00 178.15 177.58 3ip3 h HIS 189 N -0.40 0.31 -0.04 1.37 2.76 -0.73 -0.98 115.15 117.45 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 0.38 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 3ip3 h HIS 189 CO -0.15 0.10 -0.02 2.35 -1.30 0.00 0.00 177.93 178.91 3ip3 h TRP 190 N 0.35 0.09 -0.27 5.26 7.01 -0.47 -0.43 115.95 127.51 3ip3 h TRP 190 Ca 0.24 -0.02 -0.12 0.00 2.11 0.00 0.00 58.89 61.10 3ip3 h TRP 190 Cb 0.26 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 3ip3 h TRP 190 CO -0.16 0.48 -0.33 0.82 -2.79 0.00 0.00 178.44 176.45 3ip3 h ILE 191 N -0.32 1.29 0.07 2.65 1.08 0.54 -3.32 117.51 119.50 3ip3 h ILE 191 Ca 0.01 -1.46 -0.32 0.00 -0.39 0.00 0.00 64.86 62.70 3ip3 h ILE 191 Cb 0.45 1.44 -0.03 0.00 -3.07 0.00 0.00 36.82 35.62 3ip3 h ILE 191 CO 0.01 0.46 -1.79 0.71 -0.69 0.00 0.00 178.15 176.85 3ip3 h THR 192 N 0.49 0.81 -1.25 -0.27 1.35 -1.24 -3.46 112.91 109.34 3ip3 h THR 192 Ca 0.05 -2.58 -0.33 0.00 -0.55 0.00 0.00 66.41 63.00 3ip3 h THR 192 Cb 0.82 2.51 -0.10 0.00 -1.73 0.00 0.00 68.15 69.65 3ip3 h THR 192 CO 0.07 0.71 -0.34 0.61 -0.25 0.00 0.00 175.52 176.32 3ip3 n GLY 193 N 1.75 1.06 3.67 5.82 0.00 -0.17 -5.00 105.19 112.33 3ip3 n GLY 193 Ca -0.23 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.82 2.62 0.40 1.61 1.02 -1.26 -5.10 119.74 115.22 3ip3 s LYS 194 Ca 0.00 -0.75 -0.23 0.00 0.02 0.00 0.00 55.97 55.01 3ip3 s LYS 194 Cb 0.00 -2.58 -0.10 0.00 -0.52 0.00 0.00 37.83 34.64 3ip3 s LYS 194 CO 0.00 0.57 0.98 0.15 -0.92 0.00 0.00 175.35 176.14 3ip3 s LYS 195 N -1.96 4.26 -0.14 1.68 1.02 -1.26 -4.82 119.74 118.52 3ip3 s LYS 195 Ca 0.23 1.30 -0.21 0.00 0.02 0.00 0.00 55.97 57.30 3ip3 s LYS 195 Cb -0.12 -2.42 -0.03 0.00 -0.52 0.00 0.00 37.83 34.74 3ip3 s LYS 195 CO 0.14 -0.02 0.62 -0.06 -0.92 0.00 0.00 175.35 175.11 3ip3 s PHE 196 N -1.88 3.46 -0.18 3.18 0.40 -1.26 -1.35 117.98 120.36 3ip3 s PHE 196 Ca 0.58 1.01 -0.05 0.00 -0.60 0.00 0.00 56.93 57.88 3ip3 s PHE 196 Cb -0.15 -2.74 -0.22 0.00 0.51 0.00 0.00 43.02 40.41 3ip3 s PHE 196 CO 0.20 -0.02 0.13 1.28 0.70 0.00 0.00 175.22 177.51 3ip3 n LEU 197 N 4.37 2.70 -3.48 -0.37 4.77 0.33 -3.29 117.00 122.03 3ip3 n LEU 197 Ca -0.03 0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 3ip3 n LEU 197 Cb 0.51 -1.03 -0.03 0.00 -2.33 0.00 0.00 43.42 40.53 3ip3 n LEU 197 CO 0.45 0.85 0.55 -0.94 -1.33 0.00 0.00 177.39 176.97 3ip3 s SER 198 N -6.87 -0.48 -0.03 -1.43 1.04 -1.14 -1.28 113.70 103.51 3ip3 s SER 198 Ca -0.27 0.13 0.02 0.00 0.48 0.00 0.00 55.95 56.31 3ip3 s SER 198 Cb 0.08 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.68 3ip3 s SER 198 CO 0.70 -0.73 -0.08 0.54 0.98 0.00 0.00 173.24 174.65 3ip3 s VAL 199 N -2.91 0.76 -0.11 5.02 0.11 0.20 -1.50 120.40 121.97 3ip3 s VAL 199 Ca 0.01 -0.33 0.03 0.00 -2.93 0.00 0.00 61.98 58.76 3ip3 s VAL 199 Cb -0.01 -0.69 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 3ip3 s VAL 199 CO -0.07 0.24 -0.23 -0.47 -3.33 0.00 0.00 175.10 171.25 3ip3 s TYR 200 N 0.30 2.57 0.00 1.54 5.04 0.58 -1.28 117.35 126.11 3ip3 s TYR 200 Ca -0.05 -1.15 -0.06 0.00 -2.44 0.00 0.00 57.07 53.37 3ip3 s TYR 200 Cb -0.10 -1.73 -0.00 0.00 0.35 0.00 0.00 41.96 40.48 3ip3 s TYR 200 CO 0.01 -0.49 0.12 0.00 -1.34 0.00 0.00 175.55 173.85 3ip3 s ALA 201 N 0.53 -0.28 0.09 3.97 0.00 -1.26 0.80 121.76 125.61 3ip3 s ALA 201 Ca -0.14 -0.16 0.03 0.00 0.00 0.00 0.00 51.96 51.68 3ip3 s ALA 201 Cb -0.17 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 3ip3 s ALA 201 CO 0.05 -0.20 -0.09 0.95 0.00 0.00 0.00 175.76 176.48 3ip3 s THR 202 N -1.32 0.82 0.11 0.00 -4.23 -0.29 -2.63 115.64 108.10 3ip3 s THR 202 Ca -0.14 -1.67 -0.10 0.00 -1.18 0.00 0.00 61.69 58.60 3ip3 s THR 202 Cb -0.08 -1.37 0.00 0.00 1.34 0.00 0.00 72.50 72.39 3ip3 s THR 202 CO 0.01 -0.64 0.24 -1.38 -0.54 0.00 0.00 174.62 172.31 3ip3 s HIS 203 N -2.70 0.18 -0.01 3.99 -3.43 -1.26 -1.24 115.29 110.81 3ip3 s HIS 203 Ca 0.06 -0.58 0.01 0.00 -0.80 0.00 0.00 55.06 53.75 3ip3 s HIS 203 Cb -0.01 -0.02 0.01 0.00 -1.43 0.00 0.00 32.58 31.13 3ip3 s HIS 203 CO -0.01 -0.61 -0.02 0.45 -2.00 0.00 0.00 174.74 172.54 3ip3 s SER 204 N -2.88 0.41 -0.12 7.38 0.15 -0.04 -4.98 113.70 113.62 3ip3 s SER 204 Ca 0.08 -0.05 0.15 0.00 0.70 0.00 0.00 55.95 56.83 3ip3 s SER 204 Cb 0.04 -0.13 0.46 0.00 -1.71 0.00 0.00 66.02 64.68 3ip3 s SER 204 CO -0.08 -0.02 1.37 -2.11 1.20 0.00 0.00 173.24 173.60 3ip3 n ARG 205 N 3.50 2.93 -2.37 5.44 1.85 -1.26 -0.11 116.66 126.64 3ip3 n ARG 205 Ca -0.19 -2.59 -0.43 0.00 -1.00 0.00 0.00 57.85 53.64 3ip3 n ARG 205 Cb 0.55 -1.66 -0.02 0.00 -1.05 0.00 0.00 32.46 30.28 3ip3 n ARG 205 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3ip3 s LEU 206 N -2.23 3.82 -0.95 2.89 0.20 -1.26 -3.57 118.68 117.58 3ip3 s LEU 206 Ca 0.36 1.18 -0.05 0.00 0.69 0.00 0.00 54.13 56.30 3ip3 s LEU 206 Cb 0.27 -3.54 -0.06 0.00 -0.43 0.00 0.00 46.19 42.43 3ip3 s LEU 206 CO 0.11 -1.18 0.83 1.41 -0.29 0.00 0.00 176.35 177.24 3ip3 n HIS 207 N 7.98 -2.25 0.33 5.38 8.25 -1.26 -4.96 115.22 128.69 3ip3 n HIS 207 Ca 0.16 0.78 0.08 0.00 -0.26 0.00 0.00 57.72 58.48 3ip3 n HIS 207 Cb 0.47 -3.98 0.23 0.00 1.12 0.00 0.00 29.99 27.83 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 -3.05 2.83 -2.22 0.41 6.94 -1.23 -4.93 115.26 114.01 3ip3 n ASN 208 Ca -0.06 -2.05 -0.08 0.00 -0.02 0.00 0.00 54.58 52.38 3ip3 n ASN 208 Cb 0.61 -0.36 0.04 0.00 -2.36 0.00 0.00 39.78 37.71 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 0.95 -2.89 -1.31 0.53 7.64 -1.26 -3.65 113.62 113.62 3ip3 n SER 209 Ca 0.17 -0.31 -0.15 0.00 1.01 0.00 0.00 58.87 59.60 3ip3 n SER 209 Cb 0.46 -2.71 -0.06 0.00 -1.01 0.00 0.00 64.21 60.89 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 -1.19 1.39 0.37 0.23 0.00 -1.26 -4.84 105.19 99.89 3ip3 n GLY 210 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.03 0.00 0.00 1.61 8.25 -1.24 -4.96 115.22 116.85 3ip3 n HIS 211 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 3ip3 n HIS 211 Cb 0.52 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 0.14 2.48 0.28 -1.41 0.00 -1.26 -3.07 105.19 102.36 3ip3 n GLY 212 Ca 0.00 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 12.68 0.83 -1.71 1.61 1.02 -1.05 -4.94 120.64 129.09 3ip3 n GLU 213 Ca 0.00 -0.56 -0.43 0.00 -0.02 0.00 0.00 57.16 56.15 3ip3 n GLU 213 Cb 0.00 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 29.91 3ip3 n GLU 213 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3ip3 n LEU 214 N -0.59 3.79 -4.76 -4.62 0.00 -1.17 -4.84 117.00 104.80 3ip3 n LEU 214 Ca 0.11 1.14 -0.39 0.00 0.00 0.00 0.00 56.01 56.87 3ip3 n LEU 214 Cb 0.38 -1.52 -0.06 0.00 0.00 0.00 0.00 43.42 42.22 3ip3 n LEU 214 CO 0.28 -0.13 0.25 -1.61 0.00 0.00 0.00 177.39 176.18 3ip3 s GLU 215 N -0.41 4.28 -0.09 1.96 8.01 -1.26 -4.55 118.70 126.64 3ip3 s GLU 215 Ca 0.66 0.65 0.14 0.00 0.01 0.00 0.00 54.97 56.43 3ip3 s GLU 215 Cb -0.56 -3.34 -0.24 0.00 -4.31 0.00 0.00 34.13 25.68 3ip3 s GLU 215 CO 0.48 0.37 0.49 0.25 0.01 0.00 0.00 175.26 176.86 3ip3 n THR 216 N 2.78 1.55 -4.27 3.63 -2.24 0.85 -4.74 114.28 111.84 3ip3 n THR 216 Ca -0.08 -0.81 -0.22 0.00 -2.27 0.00 0.00 64.05 60.67 3ip3 n THR 216 Cb 0.51 -0.89 -0.12 0.00 -2.10 0.00 0.00 70.33 67.73 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 -2.57 1.52 -0.17 4.28 -4.23 -1.15 0.85 115.64 114.18 3ip3 s THR 217 Ca -0.07 -1.45 -0.18 0.00 -1.18 0.00 0.00 61.69 58.81 3ip3 s THR 217 Cb 0.07 -1.40 0.05 0.00 1.34 0.00 0.00 72.50 72.56 3ip3 s THR 217 CO 0.82 -0.10 0.50 0.00 -0.54 0.00 0.00 174.62 175.30 3ip3 s ALA 218 N -1.18 -1.24 -0.05 3.99 0.00 -0.31 -0.86 121.76 122.13 3ip3 s ALA 218 Ca 0.04 1.32 0.02 0.00 0.00 0.00 0.00 51.96 53.34 3ip3 s ALA 218 Cb -0.10 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.33 3ip3 s ALA 218 CO 0.03 -0.25 -0.10 -1.17 0.00 0.00 0.00 175.76 174.28 3ip3 s LEU 219 N 0.05 1.63 -0.03 0.00 2.96 -0.38 -0.47 118.68 122.45 3ip3 s LEU 219 Ca -0.02 -0.22 0.07 0.00 -0.22 0.00 0.00 54.13 53.74 3ip3 s LEU 219 Cb -0.03 -0.65 -0.02 0.00 0.50 0.00 0.00 46.19 45.99 3ip3 s LEU 219 CO 0.02 0.03 -0.23 0.00 -1.32 0.00 0.00 176.35 174.85 3ip3 s HIS 221 N -0.43 2.41 -0.11 0.00 2.46 0.24 -1.01 115.29 118.85 3ip3 s HIS 221 Ca 0.06 -1.45 0.02 0.00 0.47 0.00 0.00 55.06 54.15 3ip3 s HIS 221 Cb -0.10 -1.69 -0.01 0.00 -0.13 0.00 0.00 32.58 30.64 3ip3 s HIS 221 CO 0.00 -0.73 -0.16 -0.06 -2.47 0.00 0.00 174.74 171.33 3ip3 s PHE 222 N 1.40 2.73 -0.22 3.88 0.08 0.33 -0.31 117.98 125.87 3ip3 s PHE 222 Ca 0.03 -0.62 -0.10 0.00 0.12 0.00 0.00 56.93 56.36 3ip3 s PHE 222 Cb -0.14 -1.77 -0.05 0.00 -0.57 0.00 0.00 43.02 40.49 3ip3 s PHE 222 CO -0.10 -0.17 0.15 0.99 -0.10 0.00 0.00 175.22 175.98 3ip3 s THR 223 N 0.12 5.35 0.44 0.64 2.01 -0.56 -0.97 115.64 122.67 3ip3 s THR 223 Ca -0.08 0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.17 3ip3 s THR 223 Cb -0.15 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 3ip3 s THR 223 CO 0.05 0.38 0.26 -0.76 -0.69 0.00 0.00 174.62 173.86 3ip3 s LEU 224 N 0.81 3.09 0.48 4.42 1.02 0.45 -0.51 118.68 128.44 3ip3 s LEU 224 Ca 0.08 -1.04 -0.19 0.00 0.02 0.00 0.00 54.13 52.99 3ip3 s LEU 224 Cb -0.13 -1.53 -0.13 0.00 0.02 0.00 0.00 46.19 44.42 3ip3 s LEU 224 CO 0.02 -0.68 0.18 -0.62 0.02 0.00 0.00 176.35 175.27 3ip3 n GLU 225 N -1.41 0.21 -2.85 1.70 1.02 -0.46 -3.05 120.64 115.80 3ip3 n GLU 225 Ca -0.01 0.08 -0.22 0.00 -0.02 0.00 0.00 57.16 56.99 3ip3 n GLU 225 Cb 0.64 -1.24 0.02 0.00 -0.02 0.00 0.00 31.44 30.84 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 1.81 -5.97 -3.79 1.62 4.05 -1.26 -2.47 115.26 109.26 3ip3 n ASN 226 Ca 0.10 -0.21 -0.29 0.00 0.45 0.00 0.00 54.58 54.63 3ip3 n ASN 226 Cb 0.44 -4.87 0.02 0.00 1.23 0.00 0.00 39.78 36.60 3ip3 n ASN 226 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3ip3 n GLU 227 N -3.72 -4.91 -3.06 1.20 1.02 -1.17 -4.95 120.64 105.05 3ip3 n GLU 227 Ca -0.15 0.58 -0.40 0.00 -0.02 0.00 0.00 57.16 57.16 3ip3 n GLU 227 Cb 0.64 -5.42 -0.05 0.00 -0.02 0.00 0.00 31.44 26.58 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 -3.22 4.99 -0.07 2.62 1.01 -1.03 -4.94 120.40 119.76 3ip3 s VAL 228 Ca 0.61 1.31 -0.03 0.00 0.00 0.00 0.00 61.98 63.87 3ip3 s VAL 228 Cb -0.31 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 3ip3 s VAL 228 CO 0.75 0.10 0.08 -0.36 0.00 0.00 0.00 175.10 175.67 3ip3 s PHE 229 N 1.87 3.35 -0.09 5.22 0.08 -1.09 -0.41 117.98 126.92 3ip3 s PHE 229 Ca 0.32 0.31 0.00 0.00 0.12 0.00 0.00 56.93 57.67 3ip3 s PHE 229 Cb -0.16 -1.82 0.02 0.00 -0.57 0.00 0.00 43.02 40.49 3ip3 s PHE 229 CO 0.11 0.58 -0.07 0.00 -0.10 0.00 0.00 175.22 175.75 3ip3 s ALA 230 N -1.05 1.12 0.01 5.36 0.00 -0.14 -1.20 121.76 125.86 3ip3 s ALA 230 Ca 0.17 -0.38 -0.03 0.00 0.00 0.00 0.00 51.96 51.72 3ip3 s ALA 230 Cb -0.12 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 3ip3 s ALA 230 CO 0.07 -0.25 0.21 -1.54 0.00 0.00 0.00 175.76 174.25 3ip3 s SER 231 N 1.40 6.39 -0.22 0.00 1.04 0.37 -0.51 113.70 122.17 3ip3 s SER 231 Ca -0.02 0.38 -0.02 0.00 0.48 0.00 0.00 55.95 56.77 3ip3 s SER 231 Cb -0.13 -2.01 0.07 0.00 0.10 0.00 0.00 66.02 64.04 3ip3 s SER 231 CO -0.04 0.24 0.04 -0.22 0.98 0.00 0.00 173.24 174.25 3ip3 s LEU 232 N -2.01 1.46 -0.23 2.42 2.96 -0.18 -0.47 118.68 122.64 3ip3 s LEU 232 Ca 0.29 -1.02 -0.13 0.00 -0.22 0.00 0.00 54.13 53.04 3ip3 s LEU 232 Cb -0.13 -0.68 -0.04 0.00 0.50 0.00 0.00 46.19 45.84 3ip3 s LEU 232 CO 0.20 -0.33 0.29 -0.55 -1.32 0.00 0.00 176.35 174.65 3ip3 s SER 233 N 1.79 6.27 -0.07 3.68 0.15 0.18 -1.04 113.70 124.66 3ip3 s SER 233 Ca 0.01 0.31 0.05 0.00 0.70 0.00 0.00 55.95 57.01 3ip3 s SER 233 Cb -0.17 -2.18 -0.00 0.00 -1.71 0.00 0.00 66.02 61.96 3ip3 s SER 233 CO -0.12 -0.03 -0.22 -0.63 1.20 0.00 0.00 173.24 173.43 3ip3 s ILE 234 N 1.33 1.88 -0.12 6.45 1.01 0.38 0.01 121.20 132.14 3ip3 s ILE 234 Ca 0.14 -0.95 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 3ip3 s ILE 234 Cb -0.14 -1.61 0.04 0.00 0.01 0.00 0.00 42.46 40.76 3ip3 s ILE 234 CO 0.07 0.52 0.28 1.51 0.00 0.00 0.00 174.94 177.33 3ip3 s ASP 235 N 0.09 -0.32 -0.60 3.58 -4.77 0.39 -1.16 116.67 113.88 3ip3 s ASP 235 Ca -0.09 0.60 -0.02 0.00 -3.30 0.00 0.00 52.55 49.74 3ip3 s ASP 235 Cb -0.15 0.52 0.28 0.00 -1.09 0.00 0.00 42.92 42.48 3ip3 s ASP 235 CO 0.05 -0.15 2.22 -1.22 0.70 0.00 0.00 175.17 176.77 3ip3 n TYR 236 N 3.83 2.43 -1.70 2.11 0.53 0.25 -1.60 117.16 123.00 3ip3 n TYR 236 Ca -0.21 -2.35 0.04 0.00 -1.02 0.00 0.00 57.90 54.35 3ip3 n TYR 236 Cb 0.55 -1.27 0.06 0.00 -1.03 0.00 0.00 39.34 37.65 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 -0.12 0.95 -4.65 7.72 4.77 -1.17 -4.09 117.00 120.40 3ip3 n LEU 237 Ca 0.51 -1.87 -0.42 0.00 -0.03 0.00 0.00 56.01 54.20 3ip3 n LEU 237 Cb 0.49 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 3ip3 n LEU 237 CO 0.52 0.46 1.59 -0.60 -1.33 0.00 0.00 177.39 178.04 3ip3 s ARG 238 N -1.09 4.03 0.59 3.23 3.52 -1.14 -4.90 118.95 123.20 3ip3 s ARG 238 Ca 0.14 2.48 -0.20 0.00 -0.13 0.00 0.00 55.73 58.02 3ip3 s ARG 238 Cb 0.13 -4.16 -0.03 0.00 -1.56 0.00 0.00 34.95 29.33 3ip3 s ARG 238 CO -0.00 -1.07 1.34 -2.14 -0.81 0.00 0.00 175.30 172.62 3ip3 s PRO 239 N 4.62 2.88 0.47 5.12 0.02 -1.26 -4.13 135.00 142.72 3ip3 s PRO 239 Ca 0.88 2.19 0.31 0.00 0.02 0.00 0.00 61.00 64.39 3ip3 s PRO 239 Cb -0.40 -2.09 1.40 0.00 0.02 0.00 0.00 34.50 33.44 3ip3 s PRO 239 CO 0.39 -1.38 1.72 1.96 -0.33 0.00 0.00 177.00 179.37 3ip3 h GLN 240 N 1.07 0.14 -2.11 5.54 1.08 -2.00 -2.87 115.11 115.96 3ip3 h GLN 240 Ca -0.51 -0.01 -0.68 0.00 -1.45 0.00 0.00 58.65 56.00 3ip3 h GLN 240 Cb 1.32 -0.03 -0.35 0.00 -0.05 0.00 0.00 27.48 28.36 3ip3 h GLN 240 CO 0.55 0.09 0.12 0.41 -0.95 0.00 0.00 178.83 179.05 3ip3 n GLY 241 N -1.63 5.84 3.62 3.46 0.00 -1.26 -5.02 105.19 110.19 3ip3 n GLY 241 Ca 0.30 -2.68 -0.32 0.00 0.00 0.00 0.00 46.02 43.33 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 -3.85 3.09 0.19 4.61 0.00 -1.09 -5.05 121.76 119.66 3ip3 s ALA 242 Ca 0.46 -1.06 -0.15 0.00 0.00 0.00 0.00 51.96 51.21 3ip3 s ALA 242 Cb 0.29 -1.13 0.18 0.00 0.00 0.00 0.00 23.12 22.46 3ip3 s ALA 242 CO -0.18 0.64 1.29 -2.30 0.00 0.00 0.00 175.76 175.20 3ip3 n PRO 243 N 1.26 -0.21 -4.05 0.00 -0.02 -1.26 -4.62 135.00 126.10 3ip3 n PRO 243 Ca -0.14 1.28 -0.25 0.00 -2.02 0.00 0.00 63.50 62.37 3ip3 n PRO 243 Cb 0.52 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 32.05 3ip3 n PRO 243 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3ip3 s THR 244 N -5.76 2.15 -0.40 3.45 -4.23 -1.26 -5.03 115.64 104.56 3ip3 s THR 244 Ca -0.11 -1.63 0.26 0.00 -1.18 0.00 0.00 61.69 59.03 3ip3 s THR 244 Cb 0.16 -2.79 0.32 0.00 1.34 0.00 0.00 72.50 71.54 3ip3 s THR 244 CO 0.59 0.00 1.75 1.12 -0.54 0.00 0.00 174.62 177.54 3ip3 h HIS 245 N 1.24 0.00 -3.99 3.99 2.07 -1.95 -3.47 115.15 113.05 3ip3 h HIS 245 Ca -0.42 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 56.74 3ip3 h HIS 245 Cb 1.27 0.00 -0.26 0.00 2.57 0.00 0.00 27.41 30.99 3ip3 h HIS 245 CO 0.74 0.00 -0.77 0.16 -3.07 0.00 0.00 177.93 174.99 3ip3 s ASP 246 N -5.35 1.02 -0.32 3.10 -4.77 -1.26 -1.60 116.67 107.49 3ip3 s ASP 246 Ca 0.06 -0.29 0.01 0.00 -3.30 0.00 0.00 52.55 49.03 3ip3 s ASP 246 Cb 0.08 -0.07 0.10 0.00 -1.09 0.00 0.00 42.92 41.95 3ip3 s ASP 246 CO 0.58 0.02 0.09 -0.62 0.70 0.00 0.00 175.17 175.94 3ip3 s ASP 247 N -0.66 4.22 -0.16 2.11 2.15 0.53 -5.01 116.67 119.84 3ip3 s ASP 247 Ca -0.00 -1.81 -0.04 0.00 0.43 0.00 0.00 52.55 51.13 3ip3 s ASP 247 Cb -0.05 -1.07 -0.03 0.00 -0.30 0.00 0.00 42.92 41.46 3ip3 s ASP 247 CO 0.00 -0.40 -0.03 -1.81 -0.17 0.00 0.00 175.17 172.76 3ip3 s ASP 248 N 1.39 4.88 0.02 -0.34 1.11 -1.26 -2.57 116.67 119.90 3ip3 s ASP 248 Ca 0.10 -0.11 0.00 0.00 0.18 0.00 0.00 52.55 52.72 3ip3 s ASP 248 Cb -0.18 -1.80 -0.00 0.00 1.07 0.00 0.00 42.92 42.01 3ip3 s ASP 248 CO -0.20 0.16 0.02 0.54 1.18 0.00 0.00 175.17 176.87 3ip3 n ARG 249 N 3.58 0.29 -3.63 8.23 1.74 -1.09 -4.16 116.66 121.61 3ip3 n ARG 249 Ca -0.17 -0.23 -0.02 0.00 -0.77 0.00 0.00 57.85 56.66 3ip3 n ARG 249 Cb 0.52 0.17 -0.06 0.00 -1.02 0.00 0.00 32.46 32.07 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 -2.10 0.36 -0.26 5.56 3.52 0.65 -1.18 118.95 125.51 3ip3 s ARG 251 Ca 0.02 0.64 0.01 0.00 -0.13 0.00 0.00 55.73 56.28 3ip3 s ARG 251 Cb 0.00 0.10 0.07 0.00 -1.56 0.00 0.00 34.95 33.56 3ip3 s ARG 251 CO 0.02 -0.08 -0.02 0.42 -0.81 0.00 0.00 175.30 174.83 3ip3 s ILE 252 N 1.40 1.54 -0.23 4.11 1.01 0.02 -0.46 121.20 128.58 3ip3 s ILE 252 Ca -0.09 -1.40 -0.09 0.00 0.00 0.00 0.00 60.65 59.07 3ip3 s ILE 252 Cb -0.04 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 3ip3 s ILE 252 CO -0.15 -0.25 0.13 -0.69 0.00 0.00 0.00 174.94 173.98 3ip3 s VAL 253 N 1.36 5.08 0.35 2.92 1.01 0.73 -1.58 120.40 130.26 3ip3 s VAL 253 Ca -0.01 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.07 3ip3 s VAL 253 Cb -0.19 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 3ip3 s VAL 253 CO -0.09 0.36 0.06 0.61 0.00 0.00 0.00 175.10 176.03 3ip3 n GLY 254 N 4.33 3.57 0.25 4.51 0.00 0.03 -0.05 105.19 117.83 3ip3 n GLY 254 Ca -0.15 -2.20 0.14 0.00 0.00 0.00 0.00 46.02 43.81 3ip3 n GLY 254 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ip3 h THR 255 N 1.37 0.25 0.00 2.61 1.35 -0.04 -3.30 112.91 115.15 3ip3 h THR 255 Ca -0.28 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 3ip3 h THR 255 Cb 0.95 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 3ip3 h THR 255 CO 0.46 0.10 -0.58 0.54 -0.25 0.00 0.00 175.52 175.78 3ip3 n ARG 256 N -3.24 2.93 -3.82 4.72 1.74 0.00 -4.95 116.66 114.05 3ip3 n ARG 256 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 3ip3 n ARG 256 Cb 0.36 -0.79 0.01 0.00 -1.02 0.00 0.00 32.46 31.03 3ip3 n ARG 256 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3ip3 s GLY 257 N -1.58 0.25 -0.08 -0.13 0.00 -0.93 -4.36 107.32 100.49 3ip3 s GLY 257 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.09 3ip3 s GLY 257 CO 0.00 -0.21 -0.06 -0.42 0.00 0.00 0.00 173.10 172.41 3ip3 s ILE 258 N -2.69 0.77 -0.17 0.90 1.01 -0.57 -0.79 121.20 119.66 3ip3 s ILE 258 Ca 0.14 -0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.54 3ip3 s ILE 258 Cb -0.05 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 3ip3 s ILE 258 CO 0.10 0.30 0.04 -0.69 0.00 0.00 0.00 174.94 174.69 3ip3 s VAL 259 N 1.34 4.60 -0.02 2.92 1.01 -0.61 -1.60 120.40 128.03 3ip3 s VAL 259 Ca -0.03 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 61.90 3ip3 s VAL 259 Cb -0.14 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 3ip3 s VAL 259 CO -0.03 0.48 -0.21 -0.70 0.00 0.00 0.00 175.10 174.64 3ip3 s GLU 260 N 0.25 1.78 -0.12 2.72 2.12 -0.43 -0.80 118.70 124.22 3ip3 s GLU 260 Ca 0.02 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 54.62 3ip3 s GLU 260 Cb -0.13 -1.70 0.00 0.00 0.26 0.00 0.00 34.13 32.57 3ip3 s GLU 260 CO 0.01 0.45 -0.22 0.08 -0.54 0.00 0.00 175.26 175.03 3ip3 s VAL 261 N -0.46 2.14 -0.29 3.70 1.01 -1.26 -1.33 120.40 123.91 3ip3 s VAL 261 Ca 0.07 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 3ip3 s VAL 261 Cb -0.09 -1.84 0.16 0.00 0.00 0.00 0.00 36.38 34.61 3ip3 s VAL 261 CO -0.00 0.55 1.07 -0.51 0.00 0.00 0.00 175.10 176.20 3ip3 s ILE 262 N 0.59 0.00 -1.28 2.22 2.07 -0.81 -4.35 121.20 119.64 3ip3 s ILE 262 Ca -0.12 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.02 3ip3 s ILE 262 Cb -0.17 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.42 3ip3 s ILE 262 CO 0.03 0.00 0.60 0.59 -1.91 0.00 0.00 174.94 174.25 3ip3 n ASN 263 N 3.27 -2.53 -1.03 4.50 4.13 -1.26 -1.72 115.26 120.62 3ip3 n ASN 263 Ca -0.17 -1.01 -0.07 0.00 1.68 0.00 0.00 54.58 55.01 3ip3 n ASN 263 Cb 0.57 -3.20 -0.03 0.00 -1.54 0.00 0.00 39.78 35.58 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 -4.33 -1.36 -4.59 3.52 1.02 -1.26 -4.92 120.64 108.72 3ip3 n GLU 264 Ca -0.22 0.48 -0.27 0.00 -0.02 0.00 0.00 57.16 57.14 3ip3 n GLU 264 Cb 0.64 -4.50 -0.11 0.00 -0.02 0.00 0.00 31.44 27.45 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 -2.42 1.91 -0.04 3.49 0.52 -0.70 -4.61 118.95 117.10 3ip3 s ARG 265 Ca 0.00 -2.07 0.02 0.00 -0.52 0.00 0.00 55.73 53.16 3ip3 s ARG 265 Cb 0.00 -1.54 0.01 0.00 0.52 0.00 0.00 34.95 33.94 3ip3 s ARG 265 CO 0.00 -0.05 -0.06 0.08 0.02 0.00 0.00 175.30 175.28 3ip3 s VAL 266 N -2.78 0.64 0.07 3.52 1.01 -1.26 -1.93 120.40 119.68 3ip3 s VAL 266 Ca 0.35 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.16 3ip3 s VAL 266 Cb 0.09 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 3ip3 s VAL 266 CO 0.18 0.23 -0.15 -0.36 0.00 0.00 0.00 175.10 175.00 3ip3 s PHE 267 N 0.60 1.30 -0.07 5.22 0.40 -0.44 -0.54 117.98 124.44 3ip3 s PHE 267 Ca -0.09 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 55.81 3ip3 s PHE 267 Cb -0.12 -0.73 0.02 0.00 0.51 0.00 0.00 43.02 42.70 3ip3 s PHE 267 CO 0.01 0.08 -0.10 -1.17 0.70 0.00 0.00 175.22 174.74 3ip3 s LEU 268 N -1.73 1.46 -0.14 -0.37 2.96 -0.31 -1.31 118.68 119.24 3ip3 s LEU 268 Ca -0.01 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3ip3 s LEU 268 Cb -0.10 -0.76 -0.00 0.00 0.50 0.00 0.00 46.19 45.83 3ip3 s LEU 268 CO 0.02 -0.02 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.96 3ip3 s THR 269 N 0.99 2.47 0.00 3.68 2.01 -0.63 -1.64 115.64 122.52 3ip3 s THR 269 Ca -0.09 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.06 3ip3 s THR 269 Cb -0.15 -2.01 0.00 0.00 0.01 0.00 0.00 72.50 70.35 3ip3 s THR 269 CO -0.00 0.53 0.00 -0.90 -0.69 0.00 0.00 174.62 173.56 3ip3 n ASP 270 N 3.86 0.00 0.22 3.53 5.68 -0.78 -1.51 116.55 127.55 3ip3 n ASP 270 Ca -0.19 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.16 3ip3 n ASP 270 Cb 0.52 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 40.99 3ip3 n ASP 270 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3ip3 h GLU 271 N 0.00 0.00 -0.01 0.11 9.09 -1.98 -2.55 114.58 119.24 3ip3 h GLU 271 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3ip3 h GLU 271 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3ip3 h GLU 271 CO 0.00 0.25 -0.37 1.63 0.05 0.00 0.00 179.01 180.57 3ip3 n LYS 272 N -4.07 0.77 0.00 1.06 5.02 -1.26 -5.06 118.16 114.61 3ip3 n LYS 272 Ca -0.02 -0.51 0.00 0.00 -2.02 0.00 0.00 58.31 55.76 3ip3 n LYS 272 Cb 0.31 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 3ip3 n LYS 272 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ip3 n GLY 273 N 1.38 -0.43 3.77 0.72 0.00 -0.96 -5.00 105.19 104.68 3ip3 n GLY 273 Ca 0.10 -2.23 -0.39 0.00 0.00 0.00 0.00 46.02 43.50 3ip3 n GLY 273 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ip3 s HIS 274 N -0.11 3.69 -0.14 1.61 2.46 -1.26 -1.87 115.29 119.67 3ip3 s HIS 274 Ca 0.00 1.16 -0.30 0.00 0.47 0.00 0.00 55.06 56.39 3ip3 s HIS 274 Cb 0.00 -2.55 0.10 0.00 -0.13 0.00 0.00 32.58 29.99 3ip3 s HIS 274 CO 0.00 0.40 0.85 -0.98 -2.47 0.00 0.00 174.74 172.53 3ip3 s ARG 275 N -0.33 0.80 0.67 2.88 1.70 -0.66 -4.99 118.95 119.02 3ip3 s ARG 275 Ca 0.29 0.31 -0.13 0.00 -0.47 0.00 0.00 55.73 55.74 3ip3 s ARG 275 Cb -0.18 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.58 3ip3 s ARG 275 CO 0.16 -0.22 1.07 -2.00 -1.08 0.00 0.00 175.30 173.23 3ip3 s GLU 276 N -0.88 2.94 -0.07 3.89 2.12 -1.26 -1.17 118.70 124.27 3ip3 s GLU 276 Ca -0.05 1.12 0.05 0.00 0.36 0.00 0.00 54.97 56.45 3ip3 s GLU 276 Cb -0.01 -1.98 -0.01 0.00 0.26 0.00 0.00 34.13 32.39 3ip3 s GLU 276 CO 0.04 -1.11 -0.24 0.08 -0.54 0.00 0.00 175.26 173.50 3ip3 s VAL 277 N -2.75 1.98 0.03 3.70 1.01 0.30 -4.82 120.40 119.85 3ip3 s VAL 277 Ca 0.61 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 3ip3 s VAL 277 Cb -0.16 -1.69 -0.08 0.00 0.00 0.00 0.00 36.38 34.45 3ip3 s VAL 277 CO 0.48 0.55 1.79 -2.16 0.00 0.00 0.00 175.10 175.75 3ip3 s PRO 278 N 0.03 4.17 0.61 2.72 0.04 -1.26 -4.53 135.00 136.77 3ip3 s PRO 278 Ca -0.09 2.42 -0.18 0.00 0.04 0.00 0.00 61.00 63.20 3ip3 s PRO 278 Cb -0.15 -3.91 -0.03 0.00 0.04 0.00 0.00 34.50 30.45 3ip3 s PRO 278 CO 0.05 -0.86 1.16 -0.51 0.04 0.00 0.00 177.00 176.88 3ip3 s LEU 279 N 3.70 3.59 0.50 -3.56 1.43 -1.26 -5.04 118.68 118.04 3ip3 s LEU 279 Ca 0.80 2.22 0.09 0.00 -1.03 0.00 0.00 54.13 56.20 3ip3 s LEU 279 Cb -0.40 -4.58 0.05 0.00 0.03 0.00 0.00 46.19 41.29 3ip3 s LEU 279 CO 0.35 -1.55 0.69 0.68 0.23 0.00 0.00 176.35 176.75 3ip3 s VAL 280 N -1.88 2.57 0.50 -1.59 -7.23 -1.26 -5.08 120.40 106.44 3ip3 s VAL 280 Ca 0.73 -0.99 -0.23 0.00 -1.81 0.00 0.00 61.98 59.68 3ip3 s VAL 280 Cb -0.26 -2.58 -0.07 0.00 0.56 0.00 0.00 36.38 34.03 3ip3 s VAL 280 CO 0.34 0.00 1.33 1.21 -0.31 0.00 0.00 175.10 177.67 3ip3 n GLU 281 N -2.06 1.81 -0.95 4.82 4.07 -1.26 -4.63 120.64 122.44 3ip3 n GLU 281 Ca 0.12 0.66 -0.27 0.00 -0.06 0.00 0.00 57.16 57.60 3ip3 n GLU 281 Cb 0.60 -2.52 0.23 0.00 -0.06 0.00 0.00 31.44 29.69 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 -0.62 -2.94 -3.66 5.31 2.85 -1.26 -4.76 118.16 113.08 3ip3 n LYS 282 Ca 0.09 -1.59 -0.14 0.00 -1.05 0.00 0.00 58.31 55.62 3ip3 n LYS 282 Cb 0.43 -1.48 -0.05 0.00 -0.65 0.00 0.00 35.03 33.28 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 -4.08 2.83 2.91 2.58 0.00 -0.51 -5.01 105.19 103.91 3ip3 n GLY 283 Ca 0.14 -1.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.91 0.08 0.20 1.61 -0.44 -1.26 -4.71 119.66 112.24 3ip3 s GLN 284 Ca 0.28 0.52 -0.12 0.00 -2.50 0.00 0.00 55.36 53.54 3ip3 s GLN 284 Cb 0.01 -0.20 0.25 0.00 -1.64 0.00 0.00 33.01 31.43 3ip3 s GLN 284 CO 0.20 -0.24 1.69 0.97 0.50 0.00 0.00 175.29 178.41 3ip3 h ILE 285 N 6.20 0.60 -0.03 -2.34 2.10 -1.88 -1.33 117.51 120.83 3ip3 h ILE 285 Ca -0.26 -0.06 -0.19 0.00 1.08 0.00 0.00 64.86 65.43 3ip3 h ILE 285 Cb 1.13 0.41 -0.01 0.00 -1.09 0.00 0.00 36.82 37.26 3ip3 h ILE 285 CO 0.26 0.03 -0.79 0.15 -1.08 0.00 0.00 178.15 176.72 3ip3 h PHE 286 N 0.17 0.38 0.34 2.19 3.57 -1.90 0.47 116.94 122.16 3ip3 h PHE 286 Ca 0.29 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3ip3 h PHE 286 Cb 0.44 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 3ip3 h PHE 286 CO -0.30 0.95 -0.43 0.93 -2.23 0.00 0.00 178.31 177.24 3ip3 h GLU 287 N 0.17 -0.78 -0.97 1.11 5.08 -1.63 -1.42 114.58 116.14 3ip3 h GLU 287 Ca -0.04 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.52 3ip3 h GLU 287 Cb 1.38 0.18 -0.08 0.00 0.50 0.00 0.00 28.75 30.72 3ip3 h GLU 287 CO 0.13 -0.52 0.61 0.22 -1.00 0.00 0.00 179.01 178.45 3ip3 h ASP 288 N -0.81 0.82 -0.26 1.42 3.58 -1.13 0.71 116.42 120.75 3ip3 h ASP 288 Ca -0.02 0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.50 3ip3 h ASP 288 Cb 0.75 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 3ip3 h ASP 288 CO -0.12 0.40 0.17 0.15 -2.88 0.00 0.00 179.24 176.97 3ip3 h PHE 289 N 0.86 0.25 0.03 0.28 3.04 -0.39 -2.74 116.94 118.27 3ip3 h PHE 289 Ca 0.50 0.01 -0.16 0.00 3.98 0.00 0.00 57.97 62.30 3ip3 h PHE 289 Cb 0.64 -0.08 0.01 0.00 2.56 0.00 0.00 35.95 39.09 3ip3 h PHE 289 CO -0.00 0.15 -0.63 -0.07 -2.02 0.00 0.00 178.31 175.74 3ip3 h LEU 290 N 0.26 0.51 -2.11 0.59 3.38 0.21 -2.28 115.31 115.87 3ip3 h LEU 290 Ca 0.11 -0.80 0.09 0.00 0.09 0.00 0.00 57.88 57.36 3ip3 h LEU 290 Cb 0.10 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3ip3 h LEU 290 CO -0.02 1.25 0.30 0.03 0.09 0.00 0.00 178.44 180.08 3ip3 h ARG 291 N -0.18 0.00 0.07 1.13 3.08 -1.28 0.31 114.38 117.51 3ip3 h ARG 291 Ca -0.09 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.74 3ip3 h ARG 291 Cb 1.37 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.44 3ip3 h ARG 291 CO 0.12 0.00 -0.92 1.49 -1.07 0.00 0.00 179.97 179.60 3ip3 h GLU 292 N 0.00 0.50 -0.63 0.04 4.57 -1.31 0.26 114.58 118.01 3ip3 h GLU 292 Ca 0.14 -0.63 -0.07 0.00 -1.18 0.00 0.00 59.36 57.62 3ip3 h GLU 292 Cb 0.73 0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.49 3ip3 h GLU 292 CO -0.00 1.25 0.12 0.82 -1.18 0.00 0.00 179.01 180.02 3ip3 h ILE 293 N 0.04 1.25 0.00 2.32 1.08 -0.69 -3.37 117.51 118.13 3ip3 h ILE 293 Ca -0.13 -0.97 -0.15 0.00 -0.39 0.00 0.00 64.86 63.22 3ip3 h ILE 293 Cb 1.63 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 35.99 3ip3 h ILE 293 CO 0.18 0.36 -1.10 0.54 -0.69 0.00 0.00 178.15 177.44 3ip3 n ARG 294 N -4.23 0.52 0.00 2.37 1.74 0.10 -5.05 116.66 112.11 3ip3 n ARG 294 Ca 0.04 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 3ip3 n ARG 294 Cb 0.27 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 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 1.48 1.48 0.17 -0.13 0.00 0.88 -5.01 105.19 104.07 3ip3 n GLY 295 Ca -0.24 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.90 3ip3 n GLY 295 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ip3 h GLN 296 N 0.00 0.00 0.00 1.61 7.50 -1.84 -3.49 115.11 118.89 3ip3 h GLN 296 Ca 0.00 0.00 0.03 0.00 0.50 0.00 0.00 58.65 59.18 3ip3 h GLN 296 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 3ip3 h GLN 296 CO 0.00 0.00 0.13 0.41 -1.50 0.00 0.00 178.83 177.87 3ip3 n GLY 297 N 1.17 1.22 3.19 3.46 0.00 -1.16 -5.07 105.19 108.01 3ip3 n GLY 297 Ca 0.04 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.01 3.09 0.00 1.61 -0.14 -1.26 -3.63 119.74 117.40 3ip3 s LYS 298 Ca 0.05 -0.80 0.00 0.00 -1.36 0.00 0.00 55.97 53.86 3ip3 s LYS 298 Cb -0.01 -2.58 0.00 0.00 -1.68 0.00 0.00 37.83 33.57 3ip3 s LYS 298 CO 0.01 -0.08 0.00 0.00 -0.76 0.00 0.00 175.35 174.52 3ip3 n VAL 301 N -2.02 0.00 -2.37 0.00 0.31 -1.26 -5.00 118.33 107.99 3ip3 n VAL 301 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 3ip3 n VAL 301 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 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 3.99 0.27 2.52 -4.23 -1.26 -4.74 115.64 112.18 3ip3 s THR 302 Ca 0.00 0.15 -0.03 0.00 -1.18 0.00 0.00 61.69 60.62 3ip3 s THR 302 Cb 0.00 -3.57 0.19 0.00 1.34 0.00 0.00 72.50 70.46 3ip3 s THR 302 CO 0.00 -0.61 1.86 -0.65 -0.54 0.00 0.00 174.62 174.68 3ip3 h PRO 303 N -0.14 1.01 -0.41 3.99 0.11 -1.95 -1.62 132.00 133.00 3ip3 h PRO 303 Ca -0.46 -0.15 0.03 0.00 0.11 0.00 0.00 66.00 65.54 3ip3 h PRO 303 Cb 1.24 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3ip3 h PRO 303 CO 0.61 0.80 0.20 0.93 -0.21 0.00 0.00 178.00 180.33 3ip3 h GLU 304 N 1.00 0.40 -0.72 1.05 3.07 -1.93 0.42 114.58 117.86 3ip3 h GLU 304 Ca 0.24 -0.02 0.11 0.00 -0.50 0.00 0.00 59.36 59.18 3ip3 h GLU 304 Cb 0.14 -0.09 -0.08 0.00 -0.84 0.00 0.00 28.75 27.88 3ip3 h GLU 304 CO -0.03 0.26 0.34 -0.44 -1.40 0.00 0.00 179.01 177.75 3ip3 h ASP 305 N 0.41 0.42 0.34 1.42 3.32 -1.86 -0.49 116.42 119.97 3ip3 h ASP 305 Ca 0.17 0.07 -0.14 0.00 0.02 0.00 0.00 57.03 57.16 3ip3 h ASP 305 Cb 0.08 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3ip3 h ASP 305 CO -0.12 0.22 -0.55 0.28 -1.72 0.00 0.00 179.24 177.35 3ip3 h SER 306 N 0.56 0.26 -0.07 6.45 0.02 -0.56 -0.84 113.55 119.37 3ip3 h SER 306 Ca 0.37 -0.14 -0.19 0.00 -0.84 0.00 0.00 61.79 60.99 3ip3 h SER 306 Cb 0.44 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.92 3ip3 h SER 306 CO -0.30 0.76 -0.69 0.40 -1.14 0.00 0.00 176.83 175.85 3ip3 h ILE 307 N 0.18 1.34 -0.06 3.27 2.04 -0.57 -3.13 117.51 120.58 3ip3 h ILE 307 Ca 0.00 -2.00 -0.06 0.00 1.00 0.00 0.00 64.86 63.80 3ip3 h ILE 307 Cb 1.03 2.28 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 3ip3 h ILE 307 CO 0.09 0.61 -0.20 0.25 0.00 0.00 0.00 178.15 178.90 3ip3 h LEU 308 N 0.21 0.28 -0.99 1.44 5.85 -0.94 -0.37 115.31 120.79 3ip3 h LEU 308 Ca -0.07 -0.61 -0.08 0.00 0.84 0.00 0.00 57.88 57.96 3ip3 h LEU 308 Cb 1.35 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 3ip3 h LEU 308 CO 0.14 0.84 -0.12 0.71 -0.34 0.00 0.00 178.44 179.67 3ip3 h THR 309 N -0.26 1.24 -0.47 1.05 1.35 -1.32 0.42 112.91 114.92 3ip3 h THR 309 Ca -0.01 -1.08 -0.02 0.00 -0.55 0.00 0.00 66.41 64.76 3ip3 h THR 309 Cb 0.82 1.11 -0.02 0.00 -1.73 0.00 0.00 68.15 68.33 3ip3 h THR 309 CO 0.04 0.36 0.20 0.74 -0.25 0.00 0.00 175.52 176.61 3ip3 h THR 310 N 0.54 1.20 -0.71 6.82 2.02 -1.54 -0.72 112.91 120.53 3ip3 h THR 310 Ca 0.10 -0.59 0.02 0.00 0.77 0.00 0.00 66.41 66.71 3ip3 h THR 310 Cb 0.53 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 3ip3 h THR 310 CO 0.03 0.22 0.45 -0.08 0.37 0.00 0.00 175.52 176.52 3ip3 h GLU 311 N 0.61 0.87 -0.50 6.66 4.81 0.35 0.65 114.58 128.04 3ip3 h GLU 311 Ca 0.16 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3ip3 h GLU 311 Cb 0.16 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3ip3 h GLU 311 CO -0.02 0.58 0.22 0.82 -0.73 0.00 0.00 179.01 179.88 3ip3 h ILE 312 N 0.90 1.20 -0.52 2.32 2.04 -0.04 0.36 117.51 123.77 3ip3 h ILE 312 Ca 0.28 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.54 3ip3 h ILE 312 Cb -0.02 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3ip3 h ILE 312 CO -0.09 0.23 0.33 0.00 0.00 0.00 0.00 178.15 178.63 3ip3 h ALA 313 N 1.06 0.66 -0.54 1.87 0.00 -0.64 0.10 119.26 121.77 3ip3 h ALA 313 Ca 0.17 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3ip3 h ALA 313 Cb 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ip3 h ALA 313 CO -0.02 0.07 0.00 -0.07 0.00 0.00 0.00 179.25 179.24 3ip3 h LEU 314 N 0.68 0.89 -0.32 0.00 3.38 -0.56 -2.25 115.31 117.13 3ip3 h LEU 314 Ca 0.20 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3ip3 h LEU 314 Cb -0.05 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3ip3 h LEU 314 CO -0.06 0.95 0.16 0.11 0.09 0.00 0.00 178.44 179.69 3ip3 h LYS 315 N 0.85 0.32 -0.96 1.13 6.56 -0.15 -2.23 116.57 122.09 3ip3 h LYS 315 Ca 0.16 -0.02 0.03 0.00 -1.06 0.00 0.00 60.65 59.76 3ip3 h LYS 315 Cb 0.50 -0.07 -0.05 0.00 -0.57 0.00 0.00 32.23 32.03 3ip3 h LYS 315 CO 0.02 0.21 0.63 0.00 -2.06 0.00 0.00 179.45 178.25 3ip3 h ALA 316 N 1.16 1.27 -0.51 3.86 0.00 -0.53 -2.02 119.26 122.50 3ip3 h ALA 316 Ca 0.13 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3ip3 h ALA 316 Cb 0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3ip3 h ALA 316 CO -0.09 0.53 -0.06 -0.09 0.00 0.00 0.00 179.25 179.54 3ip3 h ARG 317 N 1.23 0.93 -0.74 0.00 2.43 -1.22 -0.75 114.38 116.26 3ip3 h ARG 317 Ca 0.38 -0.33 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 3ip3 h ARG 317 Cb -0.02 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.40 3ip3 h ARG 317 CO -0.12 0.98 0.45 1.25 -1.51 0.00 0.00 179.97 181.03 3ip3 h LEU 318 N 0.80 0.71 0.28 3.80 5.85 -1.04 0.28 115.31 125.98 3ip3 h LEU 318 Ca 0.14 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3ip3 h LEU 318 Cb 0.60 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3ip3 h LEU 318 CO 0.04 0.47 -0.25 -1.28 -0.34 0.00 0.00 178.44 177.08 3ip3 h SER 319 N 0.84 -0.65 -0.93 1.25 0.87 -0.75 0.12 113.55 114.30 3ip3 h SER 319 Ca 0.32 0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.98 3ip3 h SER 319 Cb 0.12 0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 62.24 3ip3 h SER 319 CO -0.15 -0.37 0.61 0.00 -0.53 0.00 0.00 176.83 176.39 3ip3 h ALA 320 N 0.10 1.43 -0.17 6.23 0.00 -0.80 0.33 119.26 126.39 3ip3 h ALA 320 Ca -0.01 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 3ip3 h ALA 320 Cb 0.49 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3ip3 h ALA 320 CO -0.04 0.46 -0.68 -0.44 0.00 0.00 0.00 179.25 178.56 3ip3 h ASP 321 N 1.14 0.78 0.19 0.00 3.32 -0.18 -3.33 116.42 118.33 3ip3 h ASP 321 Ca 0.38 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3ip3 h ASP 321 Cb 0.07 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3ip3 h ASP 321 CO -0.13 1.24 -1.03 0.35 -1.72 0.00 0.00 179.24 177.96 3ip3 n THR 322 N -3.93 0.04 -1.09 0.35 -2.24 0.39 -4.97 114.28 102.83 3ip3 n THR 322 Ca -0.05 -0.11 -0.03 0.00 -2.27 0.00 0.00 64.05 61.58 3ip3 n THR 322 Cb 0.69 0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 69.48 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 1.44 0.60 3.66 3.38 0.00 0.11 -5.02 105.19 109.36 3ip3 n GLY 323 Ca 0.03 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.52 2.49 0.24 1.61 -1.52 -1.15 -5.04 119.66 114.77 3ip3 s GLN 324 Ca 0.00 -0.85 -0.30 0.00 -1.95 0.00 0.00 55.36 52.26 3ip3 s GLN 324 Cb 0.00 -2.51 -0.10 0.00 -0.22 0.00 0.00 33.01 30.18 3ip3 s GLN 324 CO 0.00 0.54 1.47 0.42 -0.25 0.00 0.00 175.29 177.48 3ip3 s ILE 325 N -1.26 2.59 -0.07 1.08 1.01 -1.26 -4.38 121.20 118.91 3ip3 s ILE 325 Ca 0.24 0.49 0.06 0.00 0.00 0.00 0.00 60.65 61.43 3ip3 s ILE 325 Cb -0.12 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 3ip3 s ILE 325 CO 0.16 0.07 -0.24 -0.69 0.00 0.00 0.00 174.94 174.24 3ip3 s VAL 326 N 0.15 2.11 0.08 2.92 1.01 -0.40 -4.98 120.40 121.28 3ip3 s VAL 326 Ca 0.61 -1.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.32 3ip3 s VAL 326 Cb -0.43 -1.77 -0.06 0.00 0.00 0.00 0.00 36.38 34.12 3ip3 s VAL 326 CO 0.42 0.57 0.70 -0.76 0.00 0.00 0.00 175.10 176.03 3ip3 s LEU 327 N -0.08 4.50 -0.17 3.92 1.43 -1.26 -0.63 118.68 126.40 3ip3 s LEU 327 Ca -0.06 1.42 -0.17 0.00 -1.03 0.00 0.00 54.13 54.29 3ip3 s LEU 327 Cb -0.14 -3.13 -0.06 0.00 0.03 0.00 0.00 46.19 42.89 3ip3 s LEU 327 CO 0.05 0.14 -0.33 -0.38 0.23 0.00 0.00 176.35 176.06 3ip3 n ILE 328 N 2.23 1.41 -1.33 -0.59 5.41 -0.40 -4.96 119.36 121.13 3ip3 n ILE 328 Ca -0.06 0.16 -0.36 0.00 1.00 0.00 0.00 62.75 63.49 3ip3 n ILE 328 Cb 0.50 -2.29 0.07 0.00 -0.71 0.00 0.00 39.64 37.21 3ip3 n ILE 328 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3ip3 n GLU 329 N -4.34 0.40 -0.89 0.38 4.07 -1.18 -5.04 120.64 114.05 3ip3 n GLU 329 Ca -0.13 0.18 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 3ip3 n GLU 329 Cb 0.48 -1.91 0.00 0.00 -0.06 0.00 0.00 31.44 29.95 3ip3 n GLU 329 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48