#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 4.38 -0.10 3.23 1.02 -1.26 -2.69 119.74 124.32 3ip3 s LYS 3 Ca 0.00 0.83 0.01 0.00 0.02 0.00 0.00 55.97 56.83 3ip3 s LYS 3 Cb 0.00 -3.36 0.02 0.00 -0.52 0.00 0.00 37.83 33.97 3ip3 s LYS 3 CO 0.00 0.31 -0.12 0.42 -0.92 0.00 0.00 175.35 175.03 3ip3 s ILE 4 N -0.02 1.29 -0.10 2.17 1.01 -1.05 -1.02 121.20 123.47 3ip3 s ILE 4 Ca 0.33 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 3ip3 s ILE 4 Cb -0.19 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 3ip3 s ILE 4 CO 0.19 0.40 0.02 0.00 0.00 0.00 0.00 174.94 175.54 3ip3 s VAL 6 N -0.69 3.30 -0.23 0.00 1.01 -0.15 -1.12 120.40 122.52 3ip3 s VAL 6 Ca 0.11 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 3ip3 s VAL 6 Cb -0.12 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 3ip3 s VAL 6 CO 0.02 0.44 0.03 -0.63 0.00 0.00 0.00 175.10 174.97 3ip3 s ILE 7 N 1.28 4.02 0.00 2.22 1.01 0.01 -1.54 121.20 128.20 3ip3 s ILE 7 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.41 3ip3 s ILE 7 Cb -0.14 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.47 3ip3 s ILE 7 CO -0.02 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.90 3ip3 n GLY 8 N 4.76 -1.07 0.51 6.18 0.00 -0.60 -0.50 105.19 114.47 3ip3 n GLY 8 Ca -0.17 -1.60 0.04 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.45 0.93 -0.20 1.61 2.88 -0.86 -4.58 113.62 111.95 3ip3 n SER 9 Ca 0.00 -2.45 0.10 0.00 -1.33 0.00 0.00 58.87 55.19 3ip3 n SER 9 Cb 0.00 -0.30 -0.07 0.00 -0.75 0.00 0.00 64.21 63.09 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 -0.43 1.37 0.00 -3.46 7.64 0.14 -4.78 113.62 114.11 3ip3 n SER 10 Ca 0.07 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 58.76 3ip3 n SER 10 Cb 0.74 0.78 0.00 0.00 -1.01 0.00 0.00 64.21 64.72 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 1.43 5.74 2.93 0.23 0.00 -1.09 -4.89 105.19 109.54 3ip3 n GLY 11 Ca 0.06 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 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 2.38 0.25 1.61 8.25 -1.26 -4.73 115.22 121.72 3ip3 n HIS 12 Ca 0.00 -2.60 0.10 0.00 -0.26 0.00 0.00 57.72 54.96 3ip3 n HIS 12 Cb 0.00 -1.36 0.67 0.00 1.12 0.00 0.00 29.99 30.42 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 5.32 0.00 -0.44 4.41 -5.15 -1.94 -2.68 116.94 116.47 3ip3 h PHE 13 Ca 0.28 0.00 0.10 0.00 -0.20 0.00 0.00 57.97 58.15 3ip3 h PHE 13 Cb 0.58 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.72 3ip3 h PHE 13 CO 1.10 0.10 0.31 0.00 -2.00 0.00 0.00 178.31 177.82 3ip3 h ARG 14 N 0.00 0.14 -0.92 6.09 3.08 -1.99 -1.31 114.38 119.47 3ip3 h ARG 14 Ca -0.00 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.13 3ip3 h ARG 14 Cb 0.20 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.15 3ip3 h ARG 14 CO 0.01 0.09 0.57 1.88 -1.07 0.00 0.00 179.97 181.45 3ip3 h TYR 15 N 0.15 1.04 0.07 3.04 0.05 -1.89 -1.23 116.97 118.21 3ip3 h TYR 15 Ca 0.21 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 59.01 3ip3 h TYR 15 Cb 0.62 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 38.03 3ip3 h TYR 15 CO -0.00 0.47 -0.03 0.00 -1.05 0.00 0.00 178.16 177.55 3ip3 h ALA 16 N 1.46 -0.10 -0.92 3.88 0.00 -1.44 -3.33 119.26 118.82 3ip3 h ALA 16 Ca 0.43 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 55.21 3ip3 h ALA 16 Cb 0.31 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 3ip3 h ALA 16 CO -0.22 -0.28 0.59 -0.07 0.00 0.00 0.00 179.25 179.27 3ip3 h LEU 17 N -0.66 0.76 -0.36 0.00 3.38 -1.19 -1.35 115.31 115.89 3ip3 h LEU 17 Ca -0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ip3 h LEU 17 Cb 0.54 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3ip3 h LEU 17 CO 0.02 0.40 0.00 -0.62 0.09 0.00 0.00 178.44 178.33 3ip3 n GLU 18 N -4.57 1.23 0.00 1.13 1.02 -0.49 -3.49 120.64 115.47 3ip3 n GLU 18 Ca 0.17 -0.35 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 3ip3 n GLU 18 Cb 0.40 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 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 0.82 0.45 3.77 0.62 0.00 -0.52 -4.98 105.19 105.35 3ip3 n GLY 19 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.57 4.36 0.00 0.99 1.43 -1.19 -4.14 118.68 119.56 3ip3 s LEU 20 Ca 0.00 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 3ip3 s LEU 20 Cb 0.00 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.34 3ip3 s LEU 20 CO 0.00 -0.35 0.00 -0.90 0.23 0.00 0.00 176.35 175.34 3ip3 n ASP 21 N 0.59 1.42 0.23 2.29 5.68 -1.26 -5.02 116.55 120.48 3ip3 n ASP 21 Ca 0.02 -1.04 0.10 0.00 -0.50 0.00 0.00 54.79 53.37 3ip3 n ASP 21 Cb 0.47 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 40.99 3ip3 n ASP 21 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3ip3 h GLU 22 N 0.00 0.00 -0.06 0.11 3.07 -2.04 -2.65 114.58 113.00 3ip3 h GLU 22 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3ip3 h GLU 22 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3ip3 h GLU 22 CO 0.01 0.21 0.00 0.39 -1.40 0.00 0.00 179.01 178.22 3ip3 n GLU 23 N -3.53 1.38 -5.21 2.33 -0.58 -1.26 -4.81 120.64 108.96 3ip3 n GLU 23 Ca -0.01 -0.57 -0.31 0.00 -0.42 0.00 0.00 57.16 55.85 3ip3 n GLU 23 Cb 0.37 -1.39 -0.16 0.00 -0.57 0.00 0.00 31.44 29.68 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 -0.14 -0.18 -0.31 0.00 1.04 -1.09 -4.65 113.70 108.37 3ip3 s SER 25 Ca -0.04 0.20 -0.18 0.00 0.48 0.00 0.00 55.95 56.41 3ip3 s SER 25 Cb -0.13 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 3ip3 s SER 25 CO 0.03 -0.31 0.51 -0.63 0.98 0.00 0.00 173.24 173.83 3ip3 s ILE 26 N -0.81 5.04 -0.11 -1.02 1.01 -1.26 -2.53 121.20 121.51 3ip3 s ILE 26 Ca -0.09 0.59 0.09 0.00 0.00 0.00 0.00 60.65 61.24 3ip3 s ILE 26 Cb -0.05 -3.90 -0.24 0.00 0.01 0.00 0.00 42.46 38.29 3ip3 s ILE 26 CO 0.02 -0.07 0.40 0.35 0.00 0.00 0.00 174.94 175.64 3ip3 n THR 27 N 5.31 1.59 -3.85 2.92 -2.24 -0.75 -4.52 114.28 112.75 3ip3 n THR 27 Ca -0.05 -0.76 -0.12 0.00 -2.27 0.00 0.00 64.05 60.86 3ip3 n THR 27 Cb 0.49 -1.11 -0.11 0.00 -2.10 0.00 0.00 70.33 67.51 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 -5.42 -0.03 -0.01 3.38 0.00 -1.23 -0.18 107.32 103.83 3ip3 s GLY 28 Ca -0.12 0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.75 3ip3 s GLY 28 CO 0.79 0.04 -0.04 -0.26 0.00 0.00 0.00 173.10 173.64 3ip3 s ILE 29 N -0.69 0.35 0.02 0.90 -4.36 -0.75 -0.98 121.20 115.70 3ip3 s ILE 29 Ca -0.08 -0.13 -0.06 0.00 -0.26 0.00 0.00 60.65 60.11 3ip3 s ILE 29 Cb -0.05 -0.34 -0.00 0.00 1.25 0.00 0.00 42.46 43.32 3ip3 s ILE 29 CO 0.01 0.13 0.12 0.00 0.24 0.00 0.00 174.94 175.44 3ip3 s ALA 30 N 0.25 -0.20 0.69 2.27 0.00 -0.59 -0.94 121.76 123.25 3ip3 s ALA 30 Ca -0.02 -0.35 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 3ip3 s ALA 30 Cb -0.06 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.26 3ip3 s ALA 30 CO -0.00 -0.27 1.06 -1.25 0.00 0.00 0.00 175.76 175.29 3ip3 s PRO 31 N -2.06 2.96 -0.04 0.00 0.04 -1.26 -1.56 135.00 133.08 3ip3 s PRO 31 Ca -0.09 0.84 -0.03 0.00 0.04 0.00 0.00 61.00 61.76 3ip3 s PRO 31 Cb -0.04 -2.00 -0.27 0.00 0.04 0.00 0.00 34.50 32.23 3ip3 s PRO 31 CO -0.02 -1.05 0.69 0.78 0.04 0.00 0.00 177.00 177.44 3ip3 h GLY 32 N -0.68 0.27 -4.78 0.56 0.00 -1.94 -3.39 103.07 93.11 3ip3 h GLY 32 Ca -0.44 -0.70 -0.40 0.00 0.00 0.00 0.00 47.33 45.79 3ip3 h GLY 32 CO 0.59 0.61 -0.78 -1.34 0.00 0.00 0.00 176.54 175.62 3ip3 s VAL 33 N -2.59 0.92 0.24 4.60 -7.23 -1.26 -4.98 120.40 110.10 3ip3 s VAL 33 Ca -0.13 -0.95 -0.09 0.00 -1.81 0.00 0.00 61.98 59.00 3ip3 s VAL 33 Cb 0.07 -0.86 0.29 0.00 0.56 0.00 0.00 36.38 36.44 3ip3 s VAL 33 CO 0.83 -0.07 1.62 -0.65 -0.31 0.00 0.00 175.10 176.51 3ip3 h PRO 34 N 4.92 0.04 0.00 4.82 0.11 -1.93 -1.13 132.00 138.84 3ip3 h PRO 34 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3ip3 h PRO 34 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ip3 h PRO 34 CO 0.44 0.03 0.00 -0.85 -0.21 0.00 0.00 178.00 177.40 3ip3 n GLU 35 N -5.43 0.73 -1.95 1.05 0.00 -1.26 -4.87 120.64 108.91 3ip3 n GLU 35 Ca 0.12 0.01 -0.42 0.00 0.00 0.00 0.00 57.16 56.87 3ip3 n GLU 35 Cb 0.43 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.34 3ip3 n GLU 35 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 3ip3 s GLU 36 N -2.14 4.20 -0.08 3.44 2.12 -0.43 -4.96 118.70 120.86 3ip3 s GLU 36 Ca 0.37 2.30 -0.30 0.00 0.36 0.00 0.00 54.97 57.70 3ip3 s GLU 36 Cb 0.18 -3.60 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 3ip3 s GLU 36 CO 0.33 -0.73 1.27 0.34 -0.54 0.00 0.00 175.26 175.94 3ip3 s ASP 37 N 2.38 6.97 -0.17 -1.70 -1.08 -1.26 -4.95 116.67 116.87 3ip3 s ASP 37 Ca 0.73 1.84 0.17 0.00 -0.52 0.00 0.00 52.55 54.78 3ip3 s ASP 37 Cb -0.39 -2.55 0.49 0.00 -1.46 0.00 0.00 42.92 39.01 3ip3 s ASP 37 CO 0.32 -0.67 1.38 0.18 0.52 0.00 0.00 175.17 176.90 3ip3 n LEU 38 N 5.71 3.64 0.07 -1.34 4.77 -1.26 -4.61 117.00 123.98 3ip3 n LEU 38 Ca 0.12 -3.04 -0.15 0.00 -0.03 0.00 0.00 56.01 52.92 3ip3 n LEU 38 Cb 0.45 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 40.92 3ip3 n LEU 38 CO 0.56 0.68 0.51 0.28 -1.33 0.00 0.00 177.39 178.09 3ip3 h SER 39 N 1.51 -1.54 -0.90 -1.43 0.02 -1.94 -1.92 113.55 107.35 3ip3 h SER 39 Ca 0.00 0.17 0.12 0.00 -0.84 0.00 0.00 61.79 61.24 3ip3 h SER 39 Cb 1.38 0.58 -0.08 0.00 0.14 0.00 0.00 62.40 64.41 3ip3 h SER 39 CO 0.19 -0.50 0.52 0.11 -1.14 0.00 0.00 176.83 176.01 3ip3 h LYS 40 N -0.65 0.79 -0.00 3.45 1.57 -1.89 -1.55 116.57 118.29 3ip3 h LYS 40 Ca 0.01 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3ip3 h LYS 40 Cb 0.69 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 3ip3 h LYS 40 CO -0.32 0.53 -0.00 1.25 -0.57 0.00 0.00 179.45 180.33 3ip3 h LEU 41 N 0.82 0.01 -1.16 2.94 5.85 -1.81 -2.98 115.31 118.98 3ip3 h LEU 41 Ca 0.46 -0.48 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 3ip3 h LEU 41 Cb 0.50 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3ip3 h LEU 41 CO -0.29 0.49 -0.39 -0.33 -0.34 0.00 0.00 178.44 177.58 3ip3 h GLU 42 N -0.47 0.00 0.00 1.25 5.08 -1.09 -0.47 114.58 118.88 3ip3 h GLU 42 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ip3 h GLU 42 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3ip3 h GLU 42 CO 0.00 0.39 0.00 0.87 -1.00 0.00 0.00 179.01 179.27 3ip3 h LYS 43 N 0.00 0.00 0.05 2.33 6.56 -1.37 -3.25 116.57 120.89 3ip3 h LYS 43 Ca -0.00 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 59.25 3ip3 h LYS 43 Cb 0.76 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.38 3ip3 h LYS 43 CO 0.05 0.00 -1.96 0.00 -2.06 0.00 0.00 179.45 175.48 3ip3 n ALA 44 N -2.06 1.24 -0.05 3.86 0.00 -0.29 -3.40 120.51 119.80 3ip3 n ALA 44 Ca 0.02 -0.77 -0.14 0.00 0.00 0.00 0.00 53.44 52.54 3ip3 n ALA 44 Cb 0.35 -0.65 -0.07 0.00 0.00 0.00 0.00 19.45 19.07 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 0.03 1.35 0.00 0.00 3.07 -1.38 -3.23 117.51 117.35 3ip3 h ILE 45 Ca -0.39 -1.57 -0.10 0.00 1.55 0.00 0.00 64.86 64.35 3ip3 h ILE 45 Cb 2.03 1.96 -0.01 0.00 -0.27 0.00 0.00 36.82 40.53 3ip3 h ILE 45 CO 0.06 0.47 -0.46 0.77 -1.05 0.00 0.00 178.15 177.95 3ip3 h SER 46 N 0.13 0.00 0.00 2.16 4.64 -1.59 -2.93 113.55 115.96 3ip3 h SER 46 Ca 0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 3ip3 h SER 46 Cb 0.91 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 3ip3 h SER 46 CO 0.07 0.46 0.03 -0.62 -0.87 0.00 0.00 176.83 175.90 3ip3 n GLU 47 N -3.53 0.60 -0.00 4.77 -0.58 -1.22 -4.55 120.64 116.14 3ip3 n GLU 47 Ca -0.00 -0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 3ip3 n GLU 47 Cb 0.58 -1.42 -0.01 0.00 -0.57 0.00 0.00 31.44 30.01 3ip3 n GLU 47 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3ip3 n ASN 49 N 2.10 4.60 -4.87 1.62 4.13 -1.21 -5.08 115.26 116.55 3ip3 n ASN 49 Ca 0.06 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 56.01 3ip3 n ASN 49 Cb 0.29 0.90 -0.05 0.00 -1.54 0.00 0.00 39.78 39.38 3ip3 n ASN 49 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 3ip3 s ILE 50 N -2.09 4.80 -0.46 2.41 -1.16 -1.11 -5.06 121.20 118.53 3ip3 s ILE 50 Ca -0.01 0.64 0.05 0.00 -0.51 0.00 0.00 60.65 60.83 3ip3 s ILE 50 Cb 0.01 -3.67 0.20 0.00 0.61 0.00 0.00 42.46 39.61 3ip3 s ILE 50 CO 0.07 -0.29 0.44 0.29 -2.81 0.00 0.00 174.94 172.64 3ip3 n LYS 51 N -0.70 0.72 -1.14 3.50 5.02 -1.26 -3.39 118.16 120.91 3ip3 n LYS 51 Ca 0.02 -3.47 -0.29 0.00 -2.02 0.00 0.00 58.31 52.55 3ip3 n LYS 51 Cb 0.53 -1.67 0.20 0.00 -0.02 0.00 0.00 35.03 34.07 3ip3 n LYS 51 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3ip3 s PRO 52 N -0.67 -0.09 -0.27 1.97 0.04 -1.26 -4.91 135.00 129.80 3ip3 s PRO 52 Ca 0.33 0.33 -0.29 0.00 0.04 0.00 0.00 61.00 61.42 3ip3 s PRO 52 Cb 0.07 -1.69 -0.02 0.00 0.04 0.00 0.00 34.50 32.90 3ip3 s PRO 52 CO -0.16 -3.04 1.76 0.21 0.04 0.00 0.00 177.00 175.82 3ip3 s LYS 53 N -5.08 3.51 -0.92 4.56 2.36 0.75 -4.88 119.74 120.03 3ip3 s LYS 53 Ca 0.67 1.58 -0.19 0.00 -2.55 0.00 0.00 55.97 55.48 3ip3 s LYS 53 Cb -0.16 -4.15 0.12 0.00 -1.05 0.00 0.00 37.83 32.59 3ip3 s LYS 53 CO 0.57 -1.65 1.13 0.21 1.55 0.00 0.00 175.35 177.17 3ip3 s LYS 54 N 5.32 3.57 1.15 4.03 2.36 -1.26 -1.80 119.74 133.10 3ip3 s LYS 54 Ca 0.78 -1.68 -0.19 0.00 -2.55 0.00 0.00 55.97 52.34 3ip3 s LYS 54 Cb -0.24 -4.90 0.27 0.00 -1.05 0.00 0.00 37.83 31.90 3ip3 s LYS 54 CO 0.33 -1.80 1.18 0.71 1.55 0.00 0.00 175.35 177.32 3ip3 s TYR 55 N 2.88 0.67 0.00 4.03 1.51 -0.12 -4.98 117.35 121.34 3ip3 s TYR 55 Ca 0.33 0.39 0.00 0.00 -1.01 0.00 0.00 57.07 56.78 3ip3 s TYR 55 Cb -0.05 -3.68 0.00 0.00 -0.11 0.00 0.00 41.96 38.11 3ip3 s TYR 55 CO -0.08 -3.60 0.00 -1.71 -1.11 0.00 0.00 175.55 169.04 3ip3 n ASN 56 N -4.51 4.49 -4.19 2.29 2.85 -1.26 -4.65 115.26 110.27 3ip3 n ASN 56 Ca 0.15 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.31 3ip3 n ASN 56 Cb 0.60 0.40 -0.17 0.00 1.24 0.00 0.00 39.78 41.85 3ip3 n ASN 56 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 3ip3 s ASN 57 N -2.98 2.81 0.34 1.20 3.84 -1.26 -4.59 114.94 114.30 3ip3 s ASN 57 Ca 0.00 -0.49 0.18 0.00 0.21 0.00 0.00 52.86 52.76 3ip3 s ASN 57 Cb 0.00 -1.15 0.41 0.00 -0.55 0.00 0.00 41.25 39.97 3ip3 s ASN 57 CO 0.00 0.16 1.60 4.11 -2.79 0.00 0.00 177.10 180.18 3ip3 h TRP 58 N 6.58 0.00 0.14 0.43 5.08 -1.94 -3.09 115.95 123.15 3ip3 h TRP 58 Ca -0.24 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.73 3ip3 h TRP 58 Cb 1.21 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.37 3ip3 h TRP 58 CO 0.46 0.40 -0.10 -1.49 -1.28 0.00 0.00 178.44 176.43 3ip3 h TRP 59 N 0.00 -0.25 0.00 0.12 4.06 -1.96 -2.85 115.95 115.07 3ip3 h TRP 59 Ca -0.00 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.94 3ip3 h TRP 59 Cb 1.12 0.09 0.00 0.00 -1.00 0.00 0.00 29.16 29.37 3ip3 h TRP 59 CO 0.00 -0.15 0.00 -1.91 -3.56 0.00 0.00 178.44 172.82 3ip3 n GLU 60 N -5.21 0.00 0.00 0.49 2.13 -1.17 -0.90 120.64 115.98 3ip3 n GLU 60 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 3ip3 n GLU 60 Cb 0.14 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.53 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 0.82 0.00 -0.01 4.31 4.32 -1.08 -0.23 117.00 125.13 3ip3 n LEU 62 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.81 3ip3 n LEU 62 Cb 0.00 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.71 3ip3 n LEU 62 CO 0.00 0.00 0.26 -0.08 -1.22 0.00 0.00 177.39 176.35 3ip3 h GLU 63 N 0.00 0.67 0.00 3.23 4.57 -1.30 -3.23 114.58 118.53 3ip3 h GLU 63 Ca 0.00 -0.59 0.00 0.00 -1.18 0.00 0.00 59.36 57.59 3ip3 h GLU 63 Cb 0.00 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3ip3 h GLU 63 CO 0.00 1.20 0.00 1.63 -1.18 0.00 0.00 179.01 180.66 3ip3 n LYS 64 N -4.03 0.00 -0.36 1.92 5.02 0.67 -4.58 118.16 116.80 3ip3 n LYS 64 Ca -0.09 0.00 0.30 0.00 -2.02 0.00 0.00 58.31 56.50 3ip3 n LYS 64 Cb 0.73 -0.40 0.60 0.00 -0.02 0.00 0.00 35.03 35.94 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 0.00 0.22 -6.70 1.97 4.39 -1.79 -3.46 114.58 109.21 3ip3 h GLU 65 Ca 0.00 -0.01 -0.52 0.00 0.34 0.00 0.00 59.36 59.16 3ip3 h GLU 65 Cb 0.00 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3ip3 h GLU 65 CO 0.00 0.14 -0.98 1.63 -1.16 0.00 0.00 179.01 178.64 3ip3 n LYS 66 N -4.52 -0.75 -0.91 2.33 5.02 -1.22 -4.94 118.16 113.17 3ip3 n LYS 66 Ca 0.29 0.34 -0.28 0.00 -2.02 0.00 0.00 58.31 56.63 3ip3 n LYS 66 Cb 1.12 -2.91 0.21 0.00 -0.02 0.00 0.00 35.03 33.43 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 -6.47 -0.33 -0.04 1.97 0.04 -1.26 -4.99 135.00 123.91 3ip3 s PRO 67 Ca 0.37 0.57 0.22 0.00 0.04 0.00 0.00 61.00 62.20 3ip3 s PRO 67 Cb -0.19 -1.64 -0.32 0.00 0.04 0.00 0.00 34.50 32.39 3ip3 s PRO 67 CO 0.93 -3.26 0.45 -0.25 0.04 0.00 0.00 177.00 174.91 3ip3 n ASP 68 N -4.55 0.02 -3.75 6.66 8.00 -0.19 -4.86 116.55 117.89 3ip3 n ASP 68 Ca 0.04 0.01 -0.16 0.00 0.71 0.00 0.00 54.79 55.39 3ip3 n ASP 68 Cb 0.56 1.86 -0.16 0.00 -0.02 0.00 0.00 41.12 43.36 3ip3 n ASP 68 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ip3 s ILE 69 N -3.41 -0.07 -0.18 0.53 1.01 -0.98 -2.83 121.20 115.27 3ip3 s ILE 69 Ca -0.08 0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.84 3ip3 s ILE 69 Cb 0.13 -0.11 0.02 0.00 0.01 0.00 0.00 42.46 42.51 3ip3 s ILE 69 CO 0.90 0.11 -0.18 -0.22 0.00 0.00 0.00 174.94 175.55 3ip3 s LEU 70 N 1.34 2.16 -0.22 2.97 2.96 0.11 -2.47 118.68 125.52 3ip3 s LEU 70 Ca -0.06 -0.68 -0.17 0.00 -0.22 0.00 0.00 54.13 53.00 3ip3 s LEU 70 Cb -0.13 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 3ip3 s LEU 70 CO -0.03 -0.03 0.46 -0.69 -1.32 0.00 0.00 176.35 174.74 3ip3 s VAL 71 N 1.31 5.14 -0.25 1.68 1.01 -0.28 0.02 120.40 129.04 3ip3 s VAL 71 Ca 0.04 0.81 0.01 0.00 0.00 0.00 0.00 61.98 62.84 3ip3 s VAL 71 Cb -0.14 -3.78 0.05 0.00 0.00 0.00 0.00 36.38 32.51 3ip3 s VAL 71 CO -0.12 0.18 -0.10 -0.63 0.00 0.00 0.00 175.10 174.43 3ip3 s ILE 72 N 1.70 2.40 -0.43 2.22 1.01 0.12 -0.81 121.20 127.41 3ip3 s ILE 72 Ca 0.21 -1.37 0.07 0.00 0.00 0.00 0.00 60.65 59.56 3ip3 s ILE 72 Cb -0.15 -2.31 0.25 0.00 0.01 0.00 0.00 42.46 40.26 3ip3 s ILE 72 CO 0.09 0.10 0.71 -0.46 0.00 0.00 0.00 174.94 175.38 3ip3 n ASN 73 N 4.54 -1.20 0.00 3.58 2.04 0.34 -1.13 115.26 123.43 3ip3 n ASN 73 Ca -0.16 -3.01 0.00 0.00 -0.44 0.00 0.00 54.58 50.98 3ip3 n ASN 73 Cb 0.44 0.51 0.00 0.00 -2.53 0.00 0.00 39.78 38.21 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 1.42 0.00 -1.64 5.53 5.66 -1.25 0.29 114.28 124.29 3ip3 n THR 74 Ca 0.16 0.00 -0.57 0.00 -3.05 0.00 0.00 64.05 60.59 3ip3 n THR 74 Cb 0.58 -0.17 -0.07 0.00 -1.55 0.00 0.00 70.33 69.13 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 0.11 -0.28 1.08 0.31 -1.26 -4.66 118.33 113.62 3ip3 n VAL 75 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3ip3 n VAL 75 Cb 0.00 -0.83 0.13 0.00 -0.91 0.00 0.00 33.84 32.22 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 5.38 0.89 0.00 3.52 0.04 -1.88 0.18 116.94 125.07 3ip3 h PHE 76 Ca -0.47 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.31 3ip3 h PHE 76 Cb 1.34 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 39.21 3ip3 h PHE 76 CO 0.66 0.44 -0.06 0.66 -0.60 0.00 0.00 178.31 179.41 3ip3 h SER 77 N 0.88 0.00 0.52 2.17 4.64 -1.64 -2.82 113.55 117.29 3ip3 h SER 77 Ca 0.35 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.38 3ip3 h SER 77 Cb 0.18 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3ip3 h SER 77 CO -0.18 0.06 -1.34 0.25 -0.87 0.00 0.00 176.83 174.76 3ip3 h LEU 78 N 0.00 0.52 -0.94 5.97 5.85 -0.94 -3.37 115.31 122.41 3ip3 h LEU 78 Ca -0.00 -0.58 0.28 0.00 0.84 0.00 0.00 57.88 58.42 3ip3 h LEU 78 Cb 0.30 -0.17 -0.15 0.00 0.37 0.00 0.00 40.66 41.01 3ip3 h LEU 78 CO 0.01 1.46 0.36 0.78 -0.34 0.00 0.00 178.44 180.70 3ip3 h ASN 79 N 0.09 0.17 0.64 1.25 2.35 -1.19 0.58 115.58 119.47 3ip3 h ASN 79 Ca -0.18 0.21 -0.13 0.00 -0.55 0.00 0.00 56.30 55.65 3ip3 h ASN 79 Cb 2.03 0.24 -0.02 0.00 0.05 0.00 0.00 38.32 40.62 3ip3 h ASN 79 CO 0.22 -0.18 -0.61 1.23 -1.65 0.00 0.00 177.43 176.44 3ip3 h GLY 80 N 0.22 0.00 0.67 2.83 0.00 -1.71 -1.46 103.07 103.61 3ip3 h GLY 80 Ca 0.64 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.90 3ip3 h GLY 80 CO -0.67 0.00 -0.22 0.50 0.00 0.00 0.00 176.54 176.16 3ip3 h LYS 81 N 0.00 0.30 -0.45 4.80 1.57 -1.11 -1.84 116.57 119.86 3ip3 h LYS 81 Ca -0.01 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 3ip3 h LYS 81 Cb 1.09 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 3ip3 h LYS 81 CO 0.08 0.82 0.16 0.82 -0.57 0.00 0.00 179.45 180.75 3ip3 h ILE 82 N -0.16 1.18 -0.19 1.86 2.04 -1.37 -1.15 117.51 119.72 3ip3 h ILE 82 Ca -0.00 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 3ip3 h ILE 82 Cb 0.82 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3ip3 h ILE 82 CO 0.05 0.22 -0.05 0.25 0.00 0.00 0.00 178.15 178.62 3ip3 h LEU 83 N 0.64 0.26 -0.38 1.44 5.85 -1.18 -1.55 115.31 120.38 3ip3 h LEU 83 Ca 0.15 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 3ip3 h LEU 83 Cb 0.16 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3ip3 h LEU 83 CO -0.01 0.35 0.01 0.25 -0.34 0.00 0.00 178.44 178.70 3ip3 h LEU 84 N 0.28 0.65 0.34 2.25 5.85 -0.34 -1.92 115.31 122.42 3ip3 h LEU 84 Ca 0.06 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3ip3 h LEU 84 Cb 0.27 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3ip3 h LEU 84 CO 0.01 0.79 -0.26 -0.33 -0.34 0.00 0.00 178.44 178.30 3ip3 h GLU 85 N 0.49 -0.56 -0.97 1.25 4.39 -1.11 -2.13 114.58 115.94 3ip3 h GLU 85 Ca 0.11 0.04 0.24 0.00 0.34 0.00 0.00 59.36 60.09 3ip3 h GLU 85 Cb 0.45 0.13 -0.18 0.00 -0.10 0.00 0.00 28.75 29.04 3ip3 h GLU 85 CO 0.02 -0.38 -0.05 0.00 -1.16 0.00 0.00 179.01 177.44 3ip3 h ALA 86 N -1.41 1.00 -0.18 3.43 0.00 -1.30 0.22 119.26 121.03 3ip3 h ALA 86 Ca -0.04 0.35 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 3ip3 h ALA 86 Cb 0.49 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3ip3 h ALA 86 CO 0.01 -0.51 -0.33 -0.07 0.00 0.00 0.00 179.25 178.35 3ip3 h LEU 87 N 0.01 0.37 0.03 0.00 3.38 -1.21 0.40 115.31 118.28 3ip3 h LEU 87 Ca 0.55 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.38 3ip3 h LEU 87 Cb 1.06 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3ip3 h LEU 87 CO -0.93 0.69 -0.01 -0.33 0.09 0.00 0.00 178.44 177.94 3ip3 h GLU 88 N 0.31 -0.04 -0.09 1.13 5.08 0.02 -3.00 114.58 118.00 3ip3 h GLU 88 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3ip3 h GLU 88 Cb 0.74 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3ip3 h GLU 88 CO 0.06 0.56 0.00 0.54 -1.00 0.00 0.00 179.01 179.17 3ip3 n ARG 89 N -4.81 0.50 -2.22 2.33 1.74 0.12 -4.84 116.66 109.48 3ip3 n ARG 89 Ca -0.09 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.86 3ip3 n ARG 89 Cb 0.31 -1.04 -0.02 0.00 -1.02 0.00 0.00 32.46 30.69 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 -0.37 -2.01 -3.09 5.56 5.02 -0.48 -4.97 118.16 117.83 3ip3 n LYS 90 Ca 0.00 0.65 -0.39 0.00 -2.02 0.00 0.00 58.31 56.55 3ip3 n LYS 90 Cb 0.02 -5.18 -0.05 0.00 -0.02 0.00 0.00 35.03 29.80 3ip3 n LYS 90 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ip3 s ILE 91 N -2.53 4.88 0.54 -0.18 1.01 0.13 -4.87 121.20 120.18 3ip3 s ILE 91 Ca 0.00 1.43 -0.22 0.00 0.00 0.00 0.00 60.65 61.86 3ip3 s ILE 91 Cb 0.00 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 3ip3 s ILE 91 CO 0.00 0.36 1.35 -1.00 0.00 0.00 0.00 174.94 175.65 3ip3 s HIS 92 N 0.09 2.30 -0.01 3.97 3.76 -1.13 -4.28 115.29 119.99 3ip3 s HIS 92 Ca 0.35 1.38 -0.00 0.00 -0.15 0.00 0.00 55.06 56.64 3ip3 s HIS 92 Cb -0.19 -3.79 0.01 0.00 1.11 0.00 0.00 32.58 29.72 3ip3 s HIS 92 CO 0.19 -2.86 0.02 0.00 -0.85 0.00 0.00 174.74 171.25 3ip3 s ALA 93 N -1.31 0.00 -0.35 -1.40 0.00 -0.99 0.04 121.76 117.75 3ip3 s ALA 93 Ca 0.71 0.13 -0.02 0.00 0.00 0.00 0.00 51.96 52.78 3ip3 s ALA 93 Cb -0.40 -0.09 0.08 0.00 0.00 0.00 0.00 23.12 22.70 3ip3 s ALA 93 CO 0.47 -0.04 0.08 0.12 0.00 0.00 0.00 175.76 176.40 3ip3 s PHE 94 N 0.35 3.44 -0.09 0.00 5.36 0.10 -1.78 117.98 125.37 3ip3 s PHE 94 Ca -0.03 -2.20 0.02 0.00 -0.96 0.00 0.00 56.93 53.76 3ip3 s PHE 94 Cb -0.04 -2.62 -0.02 0.00 -0.34 0.00 0.00 43.02 40.00 3ip3 s PHE 94 CO -0.01 -0.88 -0.16 0.54 -1.46 0.00 0.00 175.22 173.25 3ip3 s VAL 95 N 1.17 2.86 0.48 3.12 0.11 -0.67 0.11 120.40 127.60 3ip3 s VAL 95 Ca 0.02 -0.76 -0.24 0.00 -2.93 0.00 0.00 61.98 58.07 3ip3 s VAL 95 Cb -0.21 -2.15 -0.07 0.00 -1.53 0.00 0.00 36.38 32.42 3ip3 s VAL 95 CO -0.03 0.55 1.40 -0.70 -3.33 0.00 0.00 175.10 172.99 3ip3 s GLU 96 N -0.07 3.49 0.37 1.54 2.56 -0.28 -4.07 118.70 122.24 3ip3 s GLU 96 Ca -0.03 2.34 -0.22 0.00 0.00 0.00 0.00 54.97 57.05 3ip3 s GLU 96 Cb -0.14 -2.51 -0.10 0.00 2.00 0.00 0.00 34.13 33.38 3ip3 s GLU 96 CO 0.04 -0.94 0.92 -1.59 -0.56 0.00 0.00 175.26 173.13 3ip3 s LYS 97 N -2.62 4.35 0.44 4.30 0.00 -1.26 -3.88 119.74 121.07 3ip3 s LYS 97 Ca 0.65 1.16 -0.22 0.00 0.00 0.00 0.00 55.97 57.56 3ip3 s LYS 97 Cb -0.42 -2.46 -0.09 0.00 0.00 0.00 0.00 37.83 34.85 3ip3 s LYS 97 CO 0.53 0.12 1.01 -1.25 0.00 0.00 0.00 175.35 175.76 3ip3 s PRO 98 N -2.69 4.06 0.00 1.78 0.04 -1.26 -4.91 135.00 132.02 3ip3 s PRO 98 Ca 0.56 1.33 0.15 0.00 0.04 0.00 0.00 61.00 63.09 3ip3 s PRO 98 Cb -0.13 -2.27 0.75 0.00 0.04 0.00 0.00 34.50 32.89 3ip3 s PRO 98 CO 0.18 -0.21 1.44 0.44 0.04 0.00 0.00 177.00 178.89 3ip3 n ILE 99 N -0.56 0.63 -3.60 0.56 -5.35 -1.25 -4.70 119.36 105.09 3ip3 n ILE 99 Ca 0.07 0.16 -0.13 0.00 -0.27 0.00 0.00 62.75 62.58 3ip3 n ILE 99 Cb 0.52 -0.90 -0.07 0.00 -1.74 0.00 0.00 39.64 37.45 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 -2.65 -1.85 -2.29 -1.28 0.00 -1.26 -3.47 121.76 108.97 3ip3 s ALA 100 Ca 0.13 1.79 0.19 0.00 0.00 0.00 0.00 51.96 54.07 3ip3 s ALA 100 Cb 0.10 -0.94 0.19 0.00 0.00 0.00 0.00 23.12 22.47 3ip3 s ALA 100 CO 0.24 -0.32 1.14 0.25 0.00 0.00 0.00 175.76 177.07 3ip3 n THR 101 N 1.95 0.11 -3.97 0.00 -2.24 -1.26 -4.96 114.28 103.91 3ip3 n THR 101 Ca -0.14 -0.55 -0.09 0.00 -2.27 0.00 0.00 64.05 60.99 3ip3 n THR 101 Cb 0.56 1.30 -0.11 0.00 -2.10 0.00 0.00 70.33 69.98 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 -1.52 0.10 0.30 4.28 -4.23 -1.26 -4.94 115.64 108.38 3ip3 s THR 102 Ca 0.24 -0.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.91 3ip3 s THR 102 Cb 0.16 -0.26 0.28 0.00 1.34 0.00 0.00 72.50 74.02 3ip3 s THR 102 CO 0.24 -0.46 1.92 -0.26 -0.54 0.00 0.00 174.62 175.51 3ip3 h PHE 103 N 4.71 1.04 -0.04 3.99 0.04 -1.98 -1.96 116.94 122.73 3ip3 h PHE 103 Ca -0.31 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.51 3ip3 h PHE 103 Cb 1.21 -0.34 -0.06 0.00 2.20 0.00 0.00 35.95 38.96 3ip3 h PHE 103 CO 0.64 0.55 -0.49 0.93 -0.60 0.00 0.00 178.31 179.35 3ip3 h GLU 104 N 1.03 -0.58 -0.74 1.51 5.08 -1.99 0.11 114.58 118.99 3ip3 h GLU 104 Ca 0.38 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.81 3ip3 h GLU 104 Cb 0.18 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 3ip3 h GLU 104 CO -0.14 -0.39 0.49 -0.44 -1.00 0.00 0.00 179.01 177.53 3ip3 h ASP 105 N -0.61 0.79 0.42 1.42 5.19 -1.91 -2.13 116.42 119.60 3ip3 h ASP 105 Ca 0.04 -0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.30 3ip3 h ASP 105 Cb 0.69 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 3ip3 h ASP 105 CO -0.37 0.55 -0.59 0.25 -3.12 0.00 0.00 179.24 175.96 3ip3 h LEU 106 N 0.92 0.19 -0.84 1.55 5.85 -0.84 -2.55 115.31 119.59 3ip3 h LEU 106 Ca 0.29 -0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.79 3ip3 h LEU 106 Cb 0.03 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3ip3 h LEU 106 CO -0.08 0.74 -0.43 -0.08 -0.34 0.00 0.00 178.44 178.24 3ip3 h GLU 107 N 0.13 0.32 -0.61 1.25 4.57 -0.16 -1.44 114.58 118.64 3ip3 h GLU 107 Ca -0.00 -0.16 -0.10 0.00 -1.18 0.00 0.00 59.36 57.92 3ip3 h GLU 107 Cb 1.07 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.64 3ip3 h GLU 107 CO 0.09 0.70 -0.00 0.87 -1.18 0.00 0.00 179.01 179.48 3ip3 h LYS 108 N 0.26 1.08 -0.44 1.92 1.57 -1.34 -2.34 116.57 117.28 3ip3 h LYS 108 Ca 0.02 -0.34 -0.10 0.00 -1.87 0.00 0.00 60.65 58.36 3ip3 h LYS 108 Cb 0.87 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 3ip3 h LYS 108 CO 0.07 1.05 -0.11 0.82 -0.57 0.00 0.00 179.45 180.72 3ip3 h ILE 109 N 0.99 1.27 -0.12 1.86 2.04 -1.12 -1.03 117.51 121.39 3ip3 h ILE 109 Ca 0.17 -1.22 -0.10 0.00 1.00 0.00 0.00 64.86 64.72 3ip3 h ILE 109 Cb 0.56 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3ip3 h ILE 109 CO 0.03 0.42 -0.35 -0.09 0.00 0.00 0.00 178.15 178.15 3ip3 h ARG 110 N 0.69 0.24 0.27 2.37 2.43 -1.29 -1.21 114.38 117.89 3ip3 h ARG 110 Ca 0.11 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3ip3 h ARG 110 Cb 0.65 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3ip3 h ARG 110 CO 0.04 0.57 -0.13 1.03 -1.51 0.00 0.00 179.97 179.98 3ip3 h SER 111 N 0.21 -0.31 -0.61 -3.80 0.87 -1.28 -2.00 113.55 106.62 3ip3 h SER 111 Ca 0.02 0.01 0.13 0.00 -1.23 0.00 0.00 61.79 60.72 3ip3 h SER 111 Cb 0.73 0.08 -0.10 0.00 -0.44 0.00 0.00 62.40 62.67 3ip3 h SER 111 CO 0.06 -0.12 -0.00 0.58 -0.53 0.00 0.00 176.83 176.81 3ip3 h VAL 112 N -0.57 0.49 -0.36 2.23 2.07 -1.22 -0.75 116.25 118.15 3ip3 h VAL 112 Ca -0.04 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 3ip3 h VAL 112 Cb 0.28 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3ip3 h VAL 112 CO 0.06 0.02 0.01 0.22 0.02 0.00 0.00 177.57 177.90 3ip3 h TYR 113 N 0.11 0.57 -0.86 1.57 3.20 -1.32 -0.76 116.97 119.48 3ip3 h TYR 113 Ca 0.32 -0.06 0.14 0.00 3.14 0.00 0.00 58.73 62.27 3ip3 h TYR 113 Cb 0.52 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.56 3ip3 h TYR 113 CO -0.37 0.55 0.56 0.37 -1.64 0.00 0.00 178.16 177.63 3ip3 h GLN 114 N 0.53 0.63 0.01 1.82 4.15 -0.35 -0.76 115.11 121.15 3ip3 h GLN 114 Ca 0.11 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 3ip3 h GLN 114 Cb 0.33 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.88 3ip3 h GLN 114 CO 0.01 0.42 -0.00 0.87 -1.93 0.00 0.00 178.83 178.19 3ip3 h LYS 115 N 0.65 -0.01 -0.53 1.69 6.56 -0.90 -3.39 116.57 120.65 3ip3 h LYS 115 Ca 0.43 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.02 3ip3 h LYS 115 Cb 0.71 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 3ip3 h LYS 115 CO -0.18 0.80 0.00 1.33 -2.06 0.00 0.00 179.45 179.34 3ip3 n VAL 116 N -4.68 0.70 -0.02 0.50 0.24 -0.42 -4.63 118.33 110.03 3ip3 n VAL 116 Ca -0.09 -0.73 -0.12 0.00 -2.04 0.00 0.00 64.34 61.37 3ip3 n VAL 116 Cb 0.40 0.42 -0.06 0.00 -1.47 0.00 0.00 33.84 33.12 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 3.31 0.14 0.00 7.34 0.11 -1.33 -1.36 114.38 122.59 3ip3 h ARG 117 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 3ip3 h ARG 117 Cb 0.75 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.81 3ip3 h ARG 117 CO 0.00 0.28 0.02 0.09 0.10 0.00 0.00 179.97 180.46 3ip3 n ASN 118 N -4.91 0.00 0.00 0.08 4.13 -1.26 -3.08 115.26 110.21 3ip3 n ASN 118 Ca -0.06 0.40 0.00 0.00 1.68 0.00 0.00 54.58 56.60 3ip3 n ASN 118 Cb 0.12 -0.40 0.00 0.00 -1.54 0.00 0.00 39.78 37.97 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 -1.40 2.43 -4.72 3.52 1.02 -1.16 -5.08 120.64 115.25 3ip3 n GLU 119 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 3ip3 n GLU 119 Cb 0.02 -0.63 -0.15 0.00 -0.02 0.00 0.00 31.44 30.65 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 -0.97 1.22 -0.09 2.62 0.11 -0.52 -5.05 120.40 117.71 3ip3 s VAL 120 Ca 0.00 -0.65 0.04 0.00 -2.93 0.00 0.00 61.98 58.44 3ip3 s VAL 120 Cb 0.00 -1.02 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 3ip3 s VAL 120 CO 0.00 0.35 -0.22 0.12 -3.33 0.00 0.00 175.10 172.02 3ip3 s PHE 121 N -0.26 2.35 0.22 1.54 5.36 -1.26 -4.50 117.98 121.42 3ip3 s PHE 121 Ca 0.04 -0.92 0.06 0.00 -0.96 0.00 0.00 56.93 55.14 3ip3 s PHE 121 Cb -0.07 -1.58 -0.05 0.00 -0.34 0.00 0.00 43.02 40.98 3ip3 s PHE 121 CO -0.00 -0.37 -0.08 -0.59 -1.46 0.00 0.00 175.22 172.71 3ip3 s PHE 122 N 0.34 1.66 0.19 10.12 -0.71 -1.26 -2.34 117.98 125.97 3ip3 s PHE 122 Ca -0.16 -0.71 -0.19 0.00 -1.04 0.00 0.00 56.93 54.82 3ip3 s PHE 122 Cb -0.17 -0.87 0.04 0.00 -1.21 0.00 0.00 43.02 40.81 3ip3 s PHE 122 CO 0.07 0.20 0.55 -0.08 -1.34 0.00 0.00 175.22 174.63 3ip3 s THR 123 N -3.14 0.02 0.00 -4.49 -1.32 -0.73 -3.84 115.64 102.13 3ip3 s THR 123 Ca 0.24 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 3ip3 s THR 123 Cb 0.02 -1.44 0.00 0.00 -1.51 0.00 0.00 72.50 69.57 3ip3 s THR 123 CO 0.07 -0.10 0.00 0.00 -2.21 0.00 0.00 174.62 172.38 3ip3 n ALA 124 N -0.35 0.00 0.00 11.08 0.00 -1.26 -1.67 120.51 128.32 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 0.20 0.00 3.72 -1.26 -4.90 117.46 115.22 3ip3 n PHE 126 Ca 0.00 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 3ip3 n PHE 126 Cb 0.00 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 38.75 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 2.00 1.37 0.00 -2.00 -3.24 103.07 101.20 3ip3 h GLY 127 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ip3 h GLY 127 CO 0.00 0.00 -0.01 -2.22 0.00 0.00 0.00 176.54 174.31 3ip3 h ILE 128 N 0.00 0.73 -0.51 2.60 2.04 -1.99 -1.62 117.51 118.76 3ip3 h ILE 128 Ca -0.00 -0.04 0.12 0.00 1.00 0.00 0.00 64.86 65.93 3ip3 h ILE 128 Cb 1.04 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 3ip3 h ILE 128 CO 0.02 0.01 0.35 0.03 0.00 0.00 0.00 178.15 178.57 3ip3 h ARG 129 N 0.00 0.14 -0.06 2.37 3.08 -1.98 -2.69 114.38 115.25 3ip3 h ARG 129 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3ip3 h ARG 129 Cb 0.03 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3ip3 h ARG 129 CO 0.00 0.09 0.00 0.66 -1.07 0.00 0.00 179.97 179.66 3ip3 n TYR 130 N -4.43 0.06 -2.66 3.04 4.02 -0.61 -3.73 117.16 112.85 3ip3 n TYR 130 Ca 0.09 -0.03 -0.34 0.00 -0.01 0.00 0.00 57.90 57.61 3ip3 n TYR 130 Cb 0.48 0.00 -0.05 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 -1.94 4.02 0.22 -0.72 0.52 -1.01 -1.00 118.95 119.03 3ip3 s ARG 131 Ca 0.37 1.27 -0.07 0.00 -0.52 0.00 0.00 55.73 56.77 3ip3 s ARG 131 Cb 0.20 -2.17 0.34 0.00 0.52 0.00 0.00 34.95 33.84 3ip3 s ARG 131 CO 0.32 -0.23 1.76 -1.35 0.02 0.00 0.00 175.30 175.81 3ip3 h PRO 132 N 1.80 0.48 -0.67 3.54 0.11 -1.86 -1.37 132.00 134.03 3ip3 h PRO 132 Ca -0.49 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.66 3ip3 h PRO 132 Cb 1.20 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.14 3ip3 h PRO 132 CO 0.60 0.32 0.34 1.12 -0.21 0.00 0.00 178.00 180.17 3ip3 h HIS 133 N 0.50 0.62 0.07 0.65 2.07 -1.90 0.32 115.15 117.49 3ip3 h HIS 133 Ca 0.35 0.03 -0.27 0.00 -2.85 0.00 0.00 60.37 57.63 3ip3 h HIS 133 Cb 0.43 -0.18 0.02 0.00 2.57 0.00 0.00 27.41 30.24 3ip3 h HIS 133 CO -0.14 0.26 -1.13 0.74 -3.07 0.00 0.00 177.93 174.58 3ip3 h PHE 134 N 0.61 0.80 -0.64 6.12 0.04 -1.75 -1.32 116.94 120.79 3ip3 h PHE 134 Ca 0.31 -0.49 0.02 0.00 2.80 0.00 0.00 57.97 60.62 3ip3 h PHE 134 Cb 0.27 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.31 3ip3 h PHE 134 CO -0.10 1.33 0.40 -0.07 -0.60 0.00 0.00 178.31 179.27 3ip3 h LEU 135 N 0.24 0.66 -0.13 1.54 3.38 -0.88 -0.11 115.31 120.01 3ip3 h LEU 135 Ca -0.14 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3ip3 h LEU 135 Cb 1.80 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 3ip3 h LEU 135 CO 0.21 0.46 0.01 0.74 0.09 0.00 0.00 178.44 179.95 3ip3 h THR 136 N 0.79 1.23 -0.68 0.22 2.02 -0.33 -1.06 112.91 115.10 3ip3 h THR 136 Ca 0.25 -0.73 0.13 0.00 0.77 0.00 0.00 66.41 66.83 3ip3 h THR 136 Cb 0.00 1.47 -0.09 0.00 -1.74 0.00 0.00 68.15 67.79 3ip3 h THR 136 CO -0.10 0.21 0.20 0.00 0.37 0.00 0.00 175.52 176.21 3ip3 h ALA 137 N 0.78 0.88 -0.12 6.16 0.00 -0.98 -0.41 119.26 125.57 3ip3 h ALA 137 Ca 0.04 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3ip3 h ALA 137 Cb 0.32 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ip3 h ALA 137 CO 0.00 -0.28 0.01 -0.22 0.00 0.00 0.00 179.25 178.77 3ip3 h LYS 138 N 0.33 0.20 -0.46 0.00 1.63 -0.85 -2.34 116.57 115.08 3ip3 h LYS 138 Ca 0.37 -0.06 0.06 0.00 -0.85 0.00 0.00 60.65 60.17 3ip3 h LYS 138 Cb 0.57 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.12 3ip3 h LYS 138 CO -0.42 0.42 0.16 -0.22 -3.45 0.00 0.00 179.45 175.93 3ip3 h LYS 139 N -0.04 0.32 -0.33 1.90 3.64 -0.80 0.34 116.57 121.59 3ip3 h LYS 139 Ca 0.04 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3ip3 h LYS 139 Cb 0.32 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 3ip3 h LYS 139 CO 0.00 0.21 0.10 -0.07 -2.27 0.00 0.00 179.45 177.42 3ip3 h LEU 140 N 0.32 0.08 -0.06 5.20 3.38 -0.99 -1.02 115.31 122.22 3ip3 h LEU 140 Ca 0.22 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 3ip3 h LEU 140 Cb 0.23 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3ip3 h LEU 140 CO -0.23 0.08 0.02 0.58 0.09 0.00 0.00 178.44 178.98 3ip3 h VAL 141 N 0.23 1.14 -0.21 1.22 2.07 -1.10 -1.01 116.25 118.59 3ip3 h VAL 141 Ca 0.15 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.33 3ip3 h VAL 141 Cb 0.14 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3ip3 h VAL 141 CO -0.17 0.11 0.22 0.28 0.02 0.00 0.00 177.57 178.03 3ip3 h SER 142 N -0.06 0.00 0.59 0.57 0.02 0.22 0.12 113.55 115.01 3ip3 h SER 142 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3ip3 h SER 142 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3ip3 h SER 142 CO -0.00 0.00 -0.61 -0.62 -1.14 0.00 0.00 176.83 174.45 3ip3 n GLU 143 N -3.87 0.13 -0.15 3.45 1.02 -0.44 -4.95 120.64 115.83 3ip3 n GLU 143 Ca 0.02 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3ip3 n GLU 143 Cb 0.35 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 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 1.43 1.13 0.29 0.62 0.00 0.42 -5.00 105.19 104.08 3ip3 n GLY 144 Ca 0.04 -0.12 0.07 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 1.90 -0.02 4.61 0.00 -1.32 -2.43 119.26 122.00 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 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ip3 h ALA 145 CO 0.00 0.08 -0.34 1.33 0.00 0.00 0.00 179.25 180.32 3ip3 n VAL 146 N -4.50 0.00 -4.19 0.00 0.24 -1.26 -4.25 118.33 104.37 3ip3 n VAL 146 Ca 0.01 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 3ip3 n VAL 146 Cb 0.11 1.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.77 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 1.33 1.91 3.65 7.63 0.00 -0.92 -1.07 105.19 117.73 3ip3 n GLY 147 Ca 0.10 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 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 4.20 0.33 1.61 2.12 -1.26 -4.74 118.70 120.96 3ip3 s GLU 148 Ca 0.00 1.31 -0.29 0.00 0.36 0.00 0.00 54.97 56.35 3ip3 s GLU 148 Cb 0.00 -3.68 -0.11 0.00 0.26 0.00 0.00 34.13 30.60 3ip3 s GLU 148 CO 0.00 -0.72 1.40 0.42 -0.54 0.00 0.00 175.26 175.82 3ip3 s ILE 149 N 3.37 2.44 0.00 -3.70 1.01 -1.26 -1.26 121.20 121.80 3ip3 s ILE 149 Ca 0.46 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.53 3ip3 s ILE 149 Cb -0.15 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.05 3ip3 s ILE 149 CO 0.10 0.10 0.00 0.54 0.00 0.00 0.00 174.94 175.67 3ip3 n ARG 150 N 0.96 2.34 -3.64 2.79 5.12 0.88 -4.86 116.66 120.24 3ip3 n ARG 150 Ca 0.02 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.86 3ip3 n ARG 150 Cb 0.40 -0.87 -0.07 0.00 -1.16 0.00 0.00 32.46 30.76 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 -2.78 -0.80 -0.07 0.55 2.96 -0.85 -3.23 118.68 114.46 3ip3 s LEU 151 Ca 0.00 1.33 0.02 0.00 -0.22 0.00 0.00 54.13 55.27 3ip3 s LEU 151 Cb 0.00 2.25 0.01 0.00 0.50 0.00 0.00 46.19 48.95 3ip3 s LEU 151 CO 0.00 -0.21 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.99 3ip3 s VAL 152 N 1.30 1.22 -0.06 1.68 1.01 -0.39 0.18 120.40 125.35 3ip3 s VAL 152 Ca -0.07 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.41 3ip3 s VAL 152 Cb -0.05 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 3ip3 s VAL 152 CO -0.15 0.38 -0.12 0.20 0.00 0.00 0.00 175.10 175.40 3ip3 s ASN 153 N 0.71 4.18 0.10 3.32 0.02 -0.41 -0.29 114.94 122.57 3ip3 s ASN 153 Ca -0.14 -0.16 0.03 0.00 -1.02 0.00 0.00 52.86 51.58 3ip3 s ASN 153 Cb -0.16 -0.95 -0.04 0.00 0.02 0.00 0.00 41.25 40.12 3ip3 s ASN 153 CO 0.03 0.34 -0.08 0.42 0.02 0.00 0.00 177.10 177.83 3ip3 s THR 154 N -0.71 0.83 -0.04 1.60 -4.23 0.04 -0.78 115.64 112.34 3ip3 s THR 154 Ca 0.11 -1.77 -0.04 0.00 -1.18 0.00 0.00 61.69 58.81 3ip3 s THR 154 Cb -0.11 -1.50 0.01 0.00 1.34 0.00 0.00 72.50 72.25 3ip3 s THR 154 CO 0.01 -0.70 0.11 -1.58 -0.54 0.00 0.00 174.62 171.91 3ip3 s GLN 155 N -3.26 0.12 -0.07 3.99 0.74 -0.50 -1.82 119.66 118.86 3ip3 s GLN 155 Ca 0.08 0.15 0.02 0.00 0.05 0.00 0.00 55.36 55.66 3ip3 s GLN 155 Cb 0.01 0.06 0.01 0.00 1.10 0.00 0.00 33.01 34.19 3ip3 s GLN 155 CO -0.02 -0.02 -0.12 0.15 -0.55 0.00 0.00 175.29 174.73 3ip3 s LYS 156 N 0.07 1.75 -0.12 1.67 -0.14 0.27 -2.49 119.74 120.75 3ip3 s LYS 156 Ca -0.00 -0.42 -0.05 0.00 -1.36 0.00 0.00 55.97 54.14 3ip3 s LYS 156 Cb -0.01 -1.46 0.06 0.00 -1.68 0.00 0.00 37.83 34.73 3ip3 s LYS 156 CO 0.00 0.01 0.24 0.45 -0.76 0.00 0.00 175.35 175.29 3ip3 s SER 157 N 0.74 0.18 0.08 2.83 0.15 -1.25 -1.00 113.70 115.43 3ip3 s SER 157 Ca -0.13 0.54 0.04 0.00 0.70 0.00 0.00 55.95 57.10 3ip3 s SER 157 Cb -0.16 0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 64.67 3ip3 s SER 157 CO 0.03 -0.21 -0.12 -0.31 1.20 0.00 0.00 173.24 173.82 3ip3 s TYR 158 N 2.01 1.12 0.23 3.44 2.02 -0.94 -1.77 117.35 123.45 3ip3 s TYR 158 Ca -0.02 -0.53 -0.30 0.00 -0.37 0.00 0.00 57.07 55.85 3ip3 s TYR 158 Cb -0.11 -0.62 -0.09 0.00 -0.40 0.00 0.00 41.96 40.74 3ip3 s TYR 158 CO -0.08 0.03 1.25 0.15 -1.57 0.00 0.00 175.55 175.33 3ip3 s LYS 159 N -2.09 4.45 0.00 -0.62 1.02 -0.37 -2.56 119.74 119.56 3ip3 s LYS 159 Ca -0.00 1.99 0.00 0.00 0.02 0.00 0.00 55.97 57.98 3ip3 s LYS 159 Cb -0.08 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 3ip3 s LYS 159 CO 0.01 -0.13 0.00 -0.11 -0.92 0.00 0.00 175.35 174.20 3ip3 n LEU 160 N 2.13 1.57 0.00 3.17 7.94 -1.26 -5.00 117.00 125.55 3ip3 n LEU 160 Ca 0.04 0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 3ip3 n LEU 160 Cb 0.43 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.30 3ip3 n LEU 160 CO 0.57 -0.08 0.00 0.61 -1.11 0.00 0.00 177.39 177.38 3ip3 n GLY 161 N 2.39 -0.57 3.75 -3.96 0.00 -1.26 -4.75 105.19 100.78 3ip3 n GLY 161 Ca 0.00 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 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 4.53 0.18 1.61 0.74 -1.26 -5.05 119.66 120.41 3ip3 s GLN 162 Ca 0.00 1.89 0.02 0.00 0.05 0.00 0.00 55.36 57.31 3ip3 s GLN 162 Cb 0.00 -3.21 -0.05 0.00 1.10 0.00 0.00 33.01 30.86 3ip3 s GLN 162 CO 0.00 0.00 0.01 1.03 -0.55 0.00 0.00 175.29 175.78 3ip3 s ARG 163 N -0.79 1.13 0.84 1.67 1.81 -1.26 -5.15 118.95 117.21 3ip3 s ARG 163 Ca 0.50 -1.55 -0.13 0.00 -1.72 0.00 0.00 55.73 52.82 3ip3 s ARG 163 Cb -0.33 -0.27 0.06 0.00 -0.45 0.00 0.00 34.95 33.96 3ip3 s ARG 163 CO 0.40 -0.14 0.89 -2.30 -0.68 0.00 0.00 175.30 173.47 3ip3 n PRO 164 N -0.26 -0.00 0.27 3.54 -0.02 -1.26 -4.90 135.00 132.37 3ip3 n PRO 164 Ca -0.06 0.07 0.14 0.00 -2.02 0.00 0.00 63.50 61.62 3ip3 n PRO 164 Cb 0.63 -2.19 0.79 0.00 -0.02 0.00 0.00 33.50 32.71 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 -1.11 0.00 0.53 2.55 3.32 -2.01 -2.66 116.42 117.04 3ip3 h ASP 165 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3ip3 h ASP 165 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3ip3 h ASP 165 CO 0.42 0.09 0.00 2.22 -1.72 0.00 0.00 179.24 180.24 3ip3 n PHE 166 N -3.64 0.32 0.17 4.55 1.16 -1.26 -2.30 117.46 116.47 3ip3 n PHE 166 Ca -0.02 0.13 0.02 0.00 -1.87 0.00 0.00 57.45 55.71 3ip3 n PHE 166 Cb 0.20 -0.71 0.36 0.00 -1.61 0.00 0.00 39.48 37.71 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 0.08 0.00 2.97 -1.99 -1.83 -2.73 116.97 113.47 3ip3 h TYR 167 Ca 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 3ip3 h TYR 167 Cb 0.26 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.97 3ip3 h TYR 167 CO 0.00 0.39 0.00 1.63 -0.00 0.00 0.00 178.16 180.18 3ip3 n LYS 168 N -4.13 0.05 -5.12 4.88 5.02 -0.97 -4.22 118.16 113.67 3ip3 n LYS 168 Ca -0.02 0.05 -0.32 0.00 -2.02 0.00 0.00 58.31 56.00 3ip3 n LYS 168 Cb 0.38 -1.56 -0.17 0.00 -0.02 0.00 0.00 35.03 33.66 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 -3.02 3.06 0.31 1.97 -0.14 -1.25 -0.34 119.74 120.34 3ip3 s LYS 169 Ca 0.13 -0.87 0.04 0.00 -1.36 0.00 0.00 55.97 53.91 3ip3 s LYS 169 Cb 0.17 -2.34 0.64 0.00 -1.68 0.00 0.00 37.83 34.63 3ip3 s LYS 169 CO 0.54 0.15 1.86 -0.09 -0.76 0.00 0.00 175.35 177.05 3ip3 h ARG 170 N 6.80 0.88 -0.73 1.68 9.65 -1.87 0.30 114.38 131.09 3ip3 h ARG 170 Ca -0.21 -0.05 0.16 0.00 -1.10 0.00 0.00 59.98 58.78 3ip3 h ARG 170 Cb 1.23 -0.20 -0.12 0.00 -1.39 0.00 0.00 29.97 29.49 3ip3 h ARG 170 CO 0.49 0.58 0.06 1.49 2.80 0.00 0.00 179.97 185.39 3ip3 h GLU 171 N 0.90 0.15 0.05 0.20 4.81 -1.94 0.11 114.58 118.86 3ip3 h GLU 171 Ca 0.46 -0.01 -0.36 0.00 -0.13 0.00 0.00 59.36 59.32 3ip3 h GLU 171 Cb 0.51 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 3ip3 h GLU 171 CO -0.23 0.10 -2.17 0.25 -0.73 0.00 0.00 179.01 176.23 3ip3 n THR 172 N -5.28 1.61 -0.02 0.32 -2.24 -0.99 -4.57 114.28 103.11 3ip3 n THR 172 Ca 0.13 -0.68 -0.17 0.00 -2.27 0.00 0.00 64.05 61.07 3ip3 n THR 172 Cb 0.46 -1.35 -0.09 0.00 -2.10 0.00 0.00 70.33 67.25 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 0.03 0.78 0.00 4.78 3.20 -0.61 -1.99 116.97 123.15 3ip3 h TYR 173 Ca -0.47 -0.36 0.00 0.00 3.14 0.00 0.00 58.73 61.03 3ip3 h TYR 173 Cb 2.02 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 40.17 3ip3 h TYR 173 CO 0.04 1.16 0.00 0.41 -1.64 0.00 0.00 178.16 178.13 3ip3 n GLY 174 N 0.79 1.55 0.00 1.82 0.00 0.37 -4.73 105.19 104.99 3ip3 n GLY 174 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.37 0.20 -0.02 0.00 -1.26 -4.48 105.19 98.00 3ip3 n GLY 175 Ca 0.00 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 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 1.33 0.10 2.61 2.02 -1.91 -1.81 112.91 115.25 3ip3 h THR 176 Ca 0.00 -1.85 0.01 0.00 0.77 0.00 0.00 66.41 65.34 3ip3 h THR 176 Cb 0.00 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 3ip3 h THR 176 CO 0.00 0.57 -0.12 0.40 0.37 0.00 0.00 175.52 176.74 3ip3 h ILE 177 N 0.38 0.74 -0.48 3.11 2.04 -1.93 0.12 117.51 121.50 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 1.11 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3ip3 h ILE 177 CO 0.10 0.00 0.01 -0.65 0.00 0.00 0.00 178.15 177.61 3ip3 h PRO 178 N -0.25 0.79 0.01 2.37 0.11 -1.77 -1.00 132.00 132.27 3ip3 h PRO 178 Ca 0.01 -0.21 -0.04 0.00 0.11 0.00 0.00 66.00 65.87 3ip3 h PRO 178 Cb 0.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.27 3ip3 h PRO 178 CO -0.04 0.79 -0.18 2.35 -0.21 0.00 0.00 178.00 180.70 3ip3 h TRP 179 N 0.74 0.16 0.03 0.65 2.91 -0.92 -3.30 115.95 116.22 3ip3 h TRP 179 Ca 0.15 -0.10 -0.34 0.00 1.13 0.00 0.00 58.89 59.72 3ip3 h TRP 179 Cb 0.44 -0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 29.03 3ip3 h TRP 179 CO 0.02 0.95 -1.93 0.28 -1.03 0.00 0.00 178.44 176.74 3ip3 n VAL 180 N -4.54 1.59 0.21 2.65 0.31 0.40 -4.52 118.33 114.42 3ip3 n VAL 180 Ca -0.10 -0.34 0.07 0.00 -0.01 0.00 0.00 64.34 63.96 3ip3 n VAL 180 Cb 0.50 -1.84 0.47 0.00 -0.91 0.00 0.00 33.84 32.06 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 -0.09 0.00 1.75 2.92 0.00 -0.89 -3.03 103.07 103.73 3ip3 h GLY 181 Ca -0.49 0.00 0.04 0.00 0.00 0.00 0.00 47.33 46.88 3ip3 h GLY 181 CO -0.18 0.00 0.09 1.19 0.00 0.00 0.00 176.54 177.64 3ip3 h ILE 182 N 0.00 0.86 -0.25 2.60 2.10 -1.51 -1.59 117.51 119.72 3ip3 h ILE 182 Ca -0.00 0.00 0.05 0.00 1.08 0.00 0.00 64.86 65.99 3ip3 h ILE 182 Cb 0.62 0.93 -0.05 0.00 -1.09 0.00 0.00 36.82 37.23 3ip3 h ILE 182 CO 0.04 0.00 -0.07 0.45 -1.08 0.00 0.00 178.15 177.49 3ip3 h HIS 183 N 0.00 -0.14 -0.17 2.19 3.86 -1.82 -1.03 115.15 118.05 3ip3 h HIS 183 Ca 0.06 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.17 3ip3 h HIS 183 Cb 0.24 0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 3ip3 h HIS 183 CO 0.00 -0.11 -0.42 0.00 0.86 0.00 0.00 177.93 178.26 3ip3 h ALA 184 N 1.24 0.97 -0.54 2.45 0.00 -1.52 -2.30 119.26 119.56 3ip3 h ALA 184 Ca 0.12 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.60 3ip3 h ALA 184 Cb 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3ip3 h ALA 184 CO -0.26 0.63 0.36 0.82 0.00 0.00 0.00 179.25 180.79 3ip3 h ILE 185 N 0.32 1.13 -0.40 0.00 2.04 -1.08 -1.30 117.51 118.22 3ip3 h ILE 185 Ca 0.03 -0.25 0.06 0.00 1.00 0.00 0.00 64.86 65.69 3ip3 h ILE 185 Cb 0.88 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 3ip3 h ILE 185 CO 0.07 0.13 0.11 -0.78 0.00 0.00 0.00 178.15 177.69 3ip3 h ASP 186 N 0.73 0.08 -0.35 1.72 3.58 -0.86 -1.60 116.42 119.71 3ip3 h ASP 186 Ca 0.20 0.06 0.03 0.00 0.42 0.00 0.00 57.03 57.74 3ip3 h ASP 186 Cb -0.08 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 3ip3 h ASP 186 CO -0.04 0.08 0.15 -0.50 -2.88 0.00 0.00 179.24 176.04 3ip3 h TRP 187 N 0.25 0.27 -0.37 0.28 6.55 -0.85 -0.02 115.95 122.07 3ip3 h TRP 187 Ca 0.19 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 60.05 3ip3 h TRP 187 Cb 0.21 -0.07 -0.02 0.00 -0.86 0.00 0.00 29.16 28.42 3ip3 h TRP 187 CO -0.18 0.13 0.22 0.82 -1.05 0.00 0.00 178.44 178.39 3ip3 h ILE 188 N 0.32 1.12 0.61 1.49 2.04 -1.08 0.16 117.51 122.16 3ip3 h ILE 188 Ca 0.15 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 3ip3 h ILE 188 Cb 0.10 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3ip3 h ILE 188 CO -0.13 0.12 -0.31 -0.74 0.00 0.00 0.00 178.15 177.09 3ip3 h HIS 189 N 0.48 -0.80 0.77 1.37 2.76 -0.89 -2.03 115.15 116.80 3ip3 h HIS 189 Ca 0.13 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 3ip3 h HIS 189 Cb 0.00 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 3ip3 h HIS 189 CO -0.04 -0.49 -0.50 2.35 -1.30 0.00 0.00 177.93 177.95 3ip3 h TRP 190 N -0.84 -1.34 -0.83 5.26 7.01 -0.88 0.97 115.95 125.29 3ip3 h TRP 190 Ca -0.08 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.91 3ip3 h TRP 190 Cb 0.65 0.49 -0.04 0.00 -2.10 0.00 0.00 29.16 28.16 3ip3 h TRP 190 CO -0.04 -0.74 0.53 0.82 -2.79 0.00 0.00 178.44 176.22 3ip3 h ILE 191 N -1.20 1.22 0.00 2.65 1.08 -0.78 -3.21 117.51 117.26 3ip3 h ILE 191 Ca -0.10 -0.43 -0.29 0.00 -0.39 0.00 0.00 64.86 63.64 3ip3 h ILE 191 Cb 0.97 0.02 -0.05 0.00 -3.07 0.00 0.00 36.82 34.69 3ip3 h ILE 191 CO 0.09 0.22 -1.87 0.35 -0.69 0.00 0.00 178.15 176.24 3ip3 n THR 192 N -4.39 1.46 -2.06 -0.27 -2.24 -0.76 -4.90 114.28 101.11 3ip3 n THR 192 Ca 0.09 -0.79 -0.18 0.00 -2.27 0.00 0.00 64.05 60.90 3ip3 n THR 192 Cb 0.04 -0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 67.42 3ip3 n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ip3 n GLY 193 N 1.58 0.36 3.86 3.38 0.00 0.33 -4.99 105.19 109.71 3ip3 n GLY 193 Ca -0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.44 2.98 0.23 1.61 1.02 -1.26 -5.09 119.74 114.78 3ip3 s LYS 194 Ca 0.00 -1.05 -0.20 0.00 0.02 0.00 0.00 55.97 54.74 3ip3 s LYS 194 Cb 0.00 -2.61 -0.08 0.00 -0.52 0.00 0.00 37.83 34.62 3ip3 s LYS 194 CO 0.00 0.33 0.73 0.15 -0.92 0.00 0.00 175.35 175.65 3ip3 s LYS 195 N -3.91 4.27 0.06 1.68 1.02 -1.26 -4.88 119.74 116.72 3ip3 s LYS 195 Ca 0.35 0.89 -0.30 0.00 0.02 0.00 0.00 55.97 56.93 3ip3 s LYS 195 Cb -0.08 -2.87 -0.05 0.00 -0.52 0.00 0.00 37.83 34.31 3ip3 s LYS 195 CO 0.26 0.39 1.13 -0.06 -0.92 0.00 0.00 175.35 176.15 3ip3 s PHE 196 N -1.53 3.52 -0.21 3.18 0.40 -1.26 -1.30 117.98 120.77 3ip3 s PHE 196 Ca 0.43 1.44 0.07 0.00 -0.60 0.00 0.00 56.93 58.28 3ip3 s PHE 196 Cb -0.17 -3.32 -0.18 0.00 0.51 0.00 0.00 43.02 39.86 3ip3 s PHE 196 CO 0.21 -0.86 -0.10 1.28 0.70 0.00 0.00 175.22 176.45 3ip3 n LEU 197 N 3.77 1.84 -3.67 -0.37 4.77 0.23 -4.60 117.00 118.97 3ip3 n LEU 197 Ca 0.07 -0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3ip3 n LEU 197 Cb 0.48 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3ip3 n LEU 197 CO 0.54 0.72 0.38 -0.94 -1.33 0.00 0.00 177.39 176.77 3ip3 s SER 198 N -5.85 -0.37 -0.00 -1.43 1.04 -1.04 -0.81 113.70 105.24 3ip3 s SER 198 Ca -0.23 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 55.85 3ip3 s SER 198 Cb 0.07 0.64 -0.00 0.00 0.10 0.00 0.00 66.02 66.83 3ip3 s SER 198 CO 0.61 -1.12 -0.01 0.54 0.98 0.00 0.00 173.24 174.24 3ip3 s VAL 199 N -3.85 0.10 -0.10 5.02 0.11 -0.10 -1.55 120.40 120.03 3ip3 s VAL 199 Ca 0.07 -0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.08 3ip3 s VAL 199 Cb -0.03 -0.10 0.01 0.00 -1.53 0.00 0.00 36.38 34.74 3ip3 s VAL 199 CO -0.03 0.03 -0.17 -0.47 -3.33 0.00 0.00 175.10 171.13 3ip3 s TYR 200 N -0.03 2.07 0.03 1.54 5.04 -0.35 -0.74 117.35 124.91 3ip3 s TYR 200 Ca 0.00 -0.92 -0.01 0.00 -2.44 0.00 0.00 57.07 53.70 3ip3 s TYR 200 Cb -0.01 -1.46 -0.03 0.00 0.35 0.00 0.00 41.96 40.82 3ip3 s TYR 200 CO -0.00 -0.44 -0.02 0.00 -1.34 0.00 0.00 175.55 173.74 3ip3 s ALA 201 N 0.78 0.27 0.07 3.97 0.00 -1.26 -0.11 121.76 125.48 3ip3 s ALA 201 Ca -0.10 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.03 3ip3 s ALA 201 Cb -0.16 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 3ip3 s ALA 201 CO 0.01 -0.25 -0.06 0.95 0.00 0.00 0.00 175.76 176.42 3ip3 s THR 202 N -2.49 0.48 0.16 0.00 -4.23 -0.37 -3.06 115.64 106.13 3ip3 s THR 202 Ca -0.06 -1.64 -0.12 0.00 -1.18 0.00 0.00 61.69 58.69 3ip3 s THR 202 Cb -0.02 -1.30 0.01 0.00 1.34 0.00 0.00 72.50 72.52 3ip3 s THR 202 CO -0.05 -0.78 0.36 -1.38 -0.54 0.00 0.00 174.62 172.23 3ip3 s HIS 203 N -3.06 0.18 -0.08 3.99 -3.43 -1.26 -1.49 115.29 110.13 3ip3 s HIS 203 Ca 0.04 -0.54 -0.11 0.00 -0.80 0.00 0.00 55.06 53.65 3ip3 s HIS 203 Cb 0.02 0.10 0.02 0.00 -1.43 0.00 0.00 32.58 31.29 3ip3 s HIS 203 CO -0.05 -0.76 0.28 0.45 -2.00 0.00 0.00 174.74 172.66 3ip3 s SER 204 N -2.92 -0.24 0.00 7.38 0.15 -0.29 -4.97 113.70 112.81 3ip3 s SER 204 Ca 0.13 0.39 0.10 0.00 0.70 0.00 0.00 55.95 57.26 3ip3 s SER 204 Cb 0.02 0.49 0.22 0.00 -1.71 0.00 0.00 66.02 65.04 3ip3 s SER 204 CO -0.03 -0.20 1.13 -2.11 1.20 0.00 0.00 173.24 173.23 3ip3 n ARG 205 N 2.42 2.28 -1.80 5.44 1.85 -1.26 -0.93 116.66 124.66 3ip3 n ARG 205 Ca -0.16 -1.77 -0.38 0.00 -1.00 0.00 0.00 57.85 54.55 3ip3 n ARG 205 Cb 0.57 -1.23 0.05 0.00 -1.05 0.00 0.00 32.46 30.81 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 -0.96 3.73 -1.05 2.89 1.43 -1.26 -3.42 118.68 120.04 3ip3 s LEU 206 Ca 0.18 2.67 -0.18 0.00 -1.03 0.00 0.00 54.13 55.77 3ip3 s LEU 206 Cb 0.10 -4.44 0.01 0.00 0.03 0.00 0.00 46.19 41.89 3ip3 s LEU 206 CO 0.14 -1.72 0.72 1.41 0.23 0.00 0.00 176.35 177.12 3ip3 n HIS 207 N -1.40 -1.91 -0.89 0.29 8.25 -1.26 -4.72 115.22 113.57 3ip3 n HIS 207 Ca 0.13 0.50 0.08 0.00 -0.26 0.00 0.00 57.72 58.17 3ip3 n HIS 207 Cb 0.47 -3.19 0.34 0.00 1.12 0.00 0.00 29.99 28.73 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 -2.44 4.88 -3.76 0.41 6.94 -1.22 -4.91 115.26 115.16 3ip3 n ASN 208 Ca -0.14 -2.90 -0.22 0.00 -0.02 0.00 0.00 54.58 51.30 3ip3 n ASN 208 Cb 0.60 -0.61 0.02 0.00 -2.36 0.00 0.00 39.78 37.43 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 0.23 -0.98 -2.86 0.53 7.64 -1.26 -2.02 113.62 114.91 3ip3 n SER 209 Ca 0.25 -0.86 -0.22 0.00 1.01 0.00 0.00 58.87 59.04 3ip3 n SER 209 Cb 1.04 -3.82 0.03 0.00 -1.01 0.00 0.00 64.21 60.44 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 -1.67 -0.52 1.95 0.23 0.00 -1.26 -4.92 105.19 99.00 3ip3 n GLY 210 Ca -0.30 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.41 2.38 0.00 1.61 8.25 -0.86 -5.04 115.22 117.16 3ip3 n HIS 211 Ca -0.15 -1.41 0.00 0.00 -0.26 0.00 0.00 57.72 55.90 3ip3 n HIS 211 Cb 0.64 -0.75 0.00 0.00 1.12 0.00 0.00 29.99 31.00 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 -0.58 4.04 0.36 -1.41 0.00 -1.26 -2.27 105.19 104.07 3ip3 n GLY 212 Ca 0.44 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.74 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 14.00 1.49 -2.11 1.61 1.02 0.54 -4.90 120.64 132.29 3ip3 n GLU 213 Ca 0.00 -0.72 -0.42 0.00 -0.02 0.00 0.00 57.16 56.00 3ip3 n GLU 213 Cb 0.00 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 29.94 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 -1.89 4.36 -0.06 -4.62 0.20 -0.96 -4.80 118.68 110.92 3ip3 s LEU 214 Ca 0.38 2.37 -0.28 0.00 0.69 0.00 0.00 54.13 57.29 3ip3 s LEU 214 Cb 0.20 -3.58 -0.03 0.00 -0.43 0.00 0.00 46.19 42.35 3ip3 s LEU 214 CO 0.32 -0.71 0.90 -1.61 -0.29 0.00 0.00 176.35 174.96 3ip3 s GLU 215 N 1.38 4.47 0.12 1.98 8.01 -1.26 -4.59 118.70 128.81 3ip3 s GLU 215 Ca 0.66 1.23 0.15 0.00 0.01 0.00 0.00 54.97 57.02 3ip3 s GLU 215 Cb -0.38 -3.49 -0.09 0.00 -4.31 0.00 0.00 34.13 25.87 3ip3 s GLU 215 CO 0.30 -0.11 1.04 1.79 0.01 0.00 0.00 175.26 178.29 3ip3 h THR 216 N 4.90 0.72 -3.96 3.63 1.35 -1.32 -3.43 112.91 114.81 3ip3 h THR 216 Ca -0.37 -2.22 -0.30 0.00 -0.55 0.00 0.00 66.41 62.97 3ip3 h THR 216 Cb 1.19 2.24 -0.21 0.00 -1.73 0.00 0.00 68.15 69.63 3ip3 h THR 216 CO 0.78 0.41 -0.74 0.42 -0.25 0.00 0.00 175.52 176.14 3ip3 s THR 217 N -2.90 0.64 -0.03 6.82 -4.23 -1.07 -0.38 115.64 114.50 3ip3 s THR 217 Ca -0.01 -1.14 -0.29 0.00 -1.18 0.00 0.00 61.69 59.07 3ip3 s THR 217 Cb 0.08 -0.72 0.07 0.00 1.34 0.00 0.00 72.50 73.27 3ip3 s THR 217 CO 0.79 -0.37 0.65 0.00 -0.54 0.00 0.00 174.62 175.15 3ip3 s ALA 218 N -1.43 -1.69 -0.03 3.99 0.00 -0.17 -1.14 121.76 121.29 3ip3 s ALA 218 Ca -0.08 1.19 -0.01 0.00 0.00 0.00 0.00 51.96 53.07 3ip3 s ALA 218 Cb -0.10 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.12 3ip3 s ALA 218 CO 0.01 -0.39 0.03 -1.17 0.00 0.00 0.00 175.76 174.24 3ip3 s LEU 219 N -1.31 0.82 0.05 0.00 2.96 -0.56 -0.92 118.68 119.72 3ip3 s LEU 219 Ca -0.10 0.04 0.08 0.00 -0.22 0.00 0.00 54.13 53.93 3ip3 s LEU 219 Cb -0.00 -0.12 -0.03 0.00 0.50 0.00 0.00 46.19 46.54 3ip3 s LEU 219 CO 0.08 -0.16 -0.22 0.00 -1.32 0.00 0.00 176.35 174.73 3ip3 s HIS 221 N -0.89 2.21 -0.02 0.00 2.46 0.85 -1.14 115.29 118.75 3ip3 s HIS 221 Ca 0.14 -1.58 -0.00 0.00 0.47 0.00 0.00 55.06 54.09 3ip3 s HIS 221 Cb -0.10 -1.51 -0.04 0.00 -0.13 0.00 0.00 32.58 30.80 3ip3 s HIS 221 CO 0.04 -0.74 0.05 -0.06 -2.47 0.00 0.00 174.74 171.56 3ip3 s PHE 222 N 1.46 3.21 -0.17 3.88 0.08 0.21 -1.21 117.98 125.43 3ip3 s PHE 222 Ca -0.04 0.18 -0.02 0.00 0.12 0.00 0.00 56.93 57.17 3ip3 s PHE 222 Cb -0.18 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.53 3ip3 s PHE 222 CO -0.07 0.52 -0.09 0.99 -0.10 0.00 0.00 175.22 176.47 3ip3 s THR 223 N -1.11 3.17 0.54 0.64 2.01 -0.59 -1.47 115.64 118.82 3ip3 s THR 223 Ca 0.20 -0.59 0.07 0.00 0.31 0.00 0.00 61.69 61.68 3ip3 s THR 223 Cb -0.12 -2.38 0.05 0.00 0.01 0.00 0.00 72.50 70.06 3ip3 s THR 223 CO 0.11 0.48 0.53 -0.76 -0.69 0.00 0.00 174.62 174.29 3ip3 s LEU 224 N 0.91 2.93 0.78 4.42 1.02 0.70 0.74 118.68 130.19 3ip3 s LEU 224 Ca -0.02 -1.04 -0.14 0.00 0.02 0.00 0.00 54.13 52.95 3ip3 s LEU 224 Cb -0.15 -1.47 0.06 0.00 0.02 0.00 0.00 46.19 44.65 3ip3 s LEU 224 CO 0.00 -1.12 1.17 -0.62 0.02 0.00 0.00 176.35 175.80 3ip3 n GLU 225 N -1.90 0.35 -2.36 1.70 1.02 -0.42 -3.55 120.64 115.48 3ip3 n GLU 225 Ca 0.05 0.19 -0.15 0.00 -0.02 0.00 0.00 57.16 57.23 3ip3 n GLU 225 Cb 0.63 -2.41 -0.00 0.00 -0.02 0.00 0.00 31.44 29.63 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 -2.83 -4.63 -3.84 1.62 5.15 -1.26 -2.91 115.26 106.56 3ip3 n ASN 226 Ca 0.14 -0.04 -0.30 0.00 -0.60 0.00 0.00 54.58 53.77 3ip3 n ASN 226 Cb 0.50 -3.73 0.01 0.00 -0.53 0.00 0.00 39.78 36.02 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 -2.56 -4.44 -3.00 1.20 1.02 -1.23 -4.98 120.64 106.65 3ip3 n GLU 227 Ca -0.17 0.52 -0.40 0.00 -0.02 0.00 0.00 57.16 57.10 3ip3 n GLU 227 Cb 0.63 -5.34 -0.05 0.00 -0.02 0.00 0.00 31.44 26.66 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 -3.21 4.83 0.06 2.62 1.01 -1.14 -4.94 120.40 119.64 3ip3 s VAL 228 Ca 0.62 1.57 0.06 0.00 0.00 0.00 0.00 61.98 64.23 3ip3 s VAL 228 Cb -0.32 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 3ip3 s VAL 228 CO 0.76 0.33 -0.10 -0.36 0.00 0.00 0.00 175.10 175.73 3ip3 s PHE 229 N 0.20 2.75 -0.03 5.22 0.08 -1.20 -0.21 117.98 124.79 3ip3 s PHE 229 Ca 0.38 -0.14 0.01 0.00 0.12 0.00 0.00 56.93 57.30 3ip3 s PHE 229 Cb -0.20 -1.49 0.02 0.00 -0.57 0.00 0.00 43.02 40.79 3ip3 s PHE 229 CO 0.21 0.38 -0.02 0.00 -0.10 0.00 0.00 175.22 175.69 3ip3 s ALA 230 N -1.10 0.47 0.17 5.36 0.00 -0.54 -1.26 121.76 124.85 3ip3 s ALA 230 Ca 0.19 0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.27 3ip3 s ALA 230 Cb -0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 3ip3 s ALA 230 CO 0.10 -0.03 0.05 -1.54 0.00 0.00 0.00 175.76 174.35 3ip3 s SER 231 N 0.89 5.08 -0.17 0.00 1.04 0.60 -0.62 113.70 120.51 3ip3 s SER 231 Ca -0.10 -0.28 -0.04 0.00 0.48 0.00 0.00 55.95 56.00 3ip3 s SER 231 Cb -0.13 -1.19 0.08 0.00 0.10 0.00 0.00 66.02 64.88 3ip3 s SER 231 CO -0.01 0.08 0.24 -0.22 0.98 0.00 0.00 173.24 174.32 3ip3 s LEU 232 N -2.99 -0.21 -0.18 2.42 2.96 -0.29 -0.78 118.68 119.62 3ip3 s LEU 232 Ca 0.29 0.12 -0.07 0.00 -0.22 0.00 0.00 54.13 54.25 3ip3 s LEU 232 Cb -0.10 0.53 -0.04 0.00 0.50 0.00 0.00 46.19 47.08 3ip3 s LEU 232 CO 0.20 -0.29 0.04 -0.55 -1.32 0.00 0.00 176.35 174.44 3ip3 s SER 233 N 2.37 5.46 -0.08 3.68 0.15 -0.76 -0.54 113.70 123.99 3ip3 s SER 233 Ca 0.05 0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.76 3ip3 s SER 233 Cb -0.14 -1.93 0.01 0.00 -1.71 0.00 0.00 66.02 62.26 3ip3 s SER 233 CO -0.11 0.17 -0.12 -0.63 1.20 0.00 0.00 173.24 173.76 3ip3 s ILE 234 N 0.36 1.16 0.04 6.45 1.01 -0.10 -0.57 121.20 129.55 3ip3 s ILE 234 Ca 0.02 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 3ip3 s ILE 234 Cb -0.13 -1.07 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 3ip3 s ILE 234 CO 0.01 0.37 0.01 1.51 0.00 0.00 0.00 174.94 176.84 3ip3 s ASP 235 N 0.84 0.30 -0.40 3.58 -4.77 -0.17 -1.00 116.67 115.04 3ip3 s ASP 235 Ca -0.11 -0.67 0.05 0.00 -3.30 0.00 0.00 52.55 48.52 3ip3 s ASP 235 Cb -0.15 0.18 0.47 0.00 -1.09 0.00 0.00 42.92 42.32 3ip3 s ASP 235 CO 0.02 -0.47 1.51 -1.22 0.70 0.00 0.00 175.17 175.71 3ip3 n TYR 236 N 0.84 2.50 -0.89 2.11 0.53 0.49 -2.20 117.16 120.53 3ip3 n TYR 236 Ca -0.19 -2.31 0.08 0.00 -1.02 0.00 0.00 57.90 54.46 3ip3 n TYR 236 Cb 0.58 -0.71 0.11 0.00 -1.03 0.00 0.00 39.34 38.29 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 -0.88 2.20 -4.65 7.72 4.77 -1.19 -4.11 117.00 120.86 3ip3 n LEU 237 Ca 0.47 -2.80 -0.44 0.00 -0.03 0.00 0.00 56.01 53.21 3ip3 n LEU 237 Cb 0.91 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 3ip3 n LEU 237 CO 0.47 0.65 1.64 -1.14 -1.33 0.00 0.00 177.39 177.68 3ip3 n ARG 238 N -1.21 2.47 -1.95 3.23 0.63 -1.06 -4.93 116.66 113.84 3ip3 n ARG 238 Ca 0.12 0.86 -0.39 0.00 -0.92 0.00 0.00 57.85 57.53 3ip3 n ARG 238 Cb 0.57 -2.95 0.01 0.00 0.45 0.00 0.00 32.46 30.54 3ip3 n ARG 238 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3ip3 s PRO 239 N 4.83 3.61 0.56 -0.14 0.02 -1.26 -4.27 135.00 138.35 3ip3 s PRO 239 Ca 0.93 2.17 0.27 0.00 0.02 0.00 0.00 61.00 64.39 3ip3 s PRO 239 Cb -0.49 -2.51 1.50 0.00 0.02 0.00 0.00 34.50 33.01 3ip3 s PRO 239 CO 0.43 -0.79 2.01 1.96 -0.33 0.00 0.00 177.00 180.28 3ip3 h GLN 240 N 2.10 0.00 -0.13 5.54 1.08 -1.99 -0.05 115.11 121.67 3ip3 h GLN 240 Ca -0.50 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 3ip3 h GLN 240 Cb 1.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 3ip3 h GLN 240 CO 0.60 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.89 3ip3 n GLY 241 N -1.53 -0.37 3.81 3.46 0.00 -1.26 -4.89 105.19 104.40 3ip3 n GLY 241 Ca 0.06 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.82 2.78 0.20 4.61 0.00 -0.03 -4.99 121.76 122.49 3ip3 s ALA 242 Ca 0.10 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.46 3ip3 s ALA 242 Cb 0.05 -3.22 0.11 0.00 0.00 0.00 0.00 23.12 20.07 3ip3 s ALA 242 CO 0.07 -0.74 1.47 -1.00 0.00 0.00 0.00 175.76 175.56 3ip3 h PRO 243 N 0.52 0.29 -6.33 0.00 0.13 -1.90 -3.45 132.00 121.27 3ip3 h PRO 243 Ca -0.47 -0.24 -0.61 0.00 -0.87 0.00 0.00 66.00 63.81 3ip3 h PRO 243 Cb 1.22 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 3ip3 h PRO 243 CO 0.58 0.89 -0.73 0.95 -0.23 0.00 0.00 178.00 179.46 3ip3 s THR 244 N -3.57 2.91 -0.10 1.56 -4.23 -1.26 -5.03 115.64 105.92 3ip3 s THR 244 Ca -0.04 -2.03 0.30 0.00 -1.18 0.00 0.00 61.69 58.74 3ip3 s THR 244 Cb 0.11 -2.50 0.36 0.00 1.34 0.00 0.00 72.50 71.81 3ip3 s THR 244 CO 0.82 -0.28 1.88 1.12 -0.54 0.00 0.00 174.62 177.62 3ip3 h HIS 245 N 2.45 0.00 -3.92 3.99 2.07 -1.96 -3.46 115.15 114.32 3ip3 h HIS 245 Ca -0.44 0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 56.84 3ip3 h HIS 245 Cb 1.24 0.00 -0.18 0.00 2.57 0.00 0.00 27.41 31.03 3ip3 h HIS 245 CO 0.72 0.00 -0.71 0.16 -3.07 0.00 0.00 177.93 175.02 3ip3 s ASP 246 N -5.49 0.92 -0.41 3.10 -4.77 -1.26 -1.24 116.67 107.52 3ip3 s ASP 246 Ca 0.03 -0.77 0.06 0.00 -3.30 0.00 0.00 52.55 48.57 3ip3 s ASP 246 Cb 0.09 0.07 0.22 0.00 -1.09 0.00 0.00 42.92 42.21 3ip3 s ASP 246 CO 0.54 -0.34 0.49 -0.67 0.70 0.00 0.00 175.17 175.89 3ip3 n ASP 247 N 0.75 -0.50 -4.73 2.11 2.03 -0.73 -5.01 116.55 110.47 3ip3 n ASP 247 Ca -0.18 -2.63 -0.41 0.00 0.52 0.00 0.00 54.79 52.09 3ip3 n ASP 247 Cb 0.58 -0.29 -0.04 0.00 -0.72 0.00 0.00 41.12 40.65 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 -0.66 7.34 0.23 1.67 1.01 -1.26 -3.94 116.67 121.06 3ip3 s ASP 248 Ca 0.34 1.93 0.04 0.00 0.71 0.00 0.00 52.55 55.57 3ip3 s ASP 248 Cb 0.12 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.44 3ip3 s ASP 248 CO -0.15 -0.20 0.23 0.54 0.21 0.00 0.00 175.17 175.81 3ip3 n ARG 249 N 2.85 0.33 -3.20 8.23 1.74 -1.04 -4.28 116.66 121.30 3ip3 n ARG 249 Ca 0.04 -2.19 0.04 0.00 -0.77 0.00 0.00 57.85 54.97 3ip3 n ARG 249 Cb 0.48 1.87 -0.03 0.00 -1.02 0.00 0.00 32.46 33.76 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 -2.83 0.14 -0.30 5.56 3.52 0.04 -1.42 118.95 123.67 3ip3 s ARG 251 Ca 0.25 0.29 -0.09 0.00 -0.13 0.00 0.00 55.73 56.06 3ip3 s ARG 251 Cb 0.01 0.17 -0.01 0.00 -1.56 0.00 0.00 34.95 33.56 3ip3 s ARG 251 CO 0.18 -0.12 0.14 0.42 -0.81 0.00 0.00 175.30 175.11 3ip3 s ILE 252 N 2.69 4.54 -0.29 4.11 1.09 0.45 -1.29 121.20 132.51 3ip3 s ILE 252 Ca -0.03 -0.39 -0.05 0.00 -1.10 0.00 0.00 60.65 59.09 3ip3 s ILE 252 Cb -0.07 -3.29 0.02 0.00 -1.06 0.00 0.00 42.46 38.06 3ip3 s ILE 252 CO -0.12 0.11 0.04 -0.69 -0.10 0.00 0.00 174.94 174.17 3ip3 s VAL 253 N 1.61 3.56 0.52 2.92 1.01 0.13 -1.34 120.40 128.81 3ip3 s VAL 253 Ca 0.05 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.17 3ip3 s VAL 253 Cb -0.17 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.36 3ip3 s VAL 253 CO 0.06 0.08 0.12 -0.83 0.00 0.00 0.00 175.10 174.53 3ip3 s GLY 254 N 1.42 2.84 0.06 4.51 0.00 0.64 -0.09 107.32 116.71 3ip3 s GLY 254 Ca 0.01 -0.60 0.22 0.00 0.00 0.00 0.00 44.72 44.35 3ip3 s GLY 254 CO 0.00 -2.12 1.70 -1.30 0.00 0.00 0.00 173.10 171.38 3ip3 n THR 255 N -1.42 0.58 -0.66 0.90 -2.24 -0.39 -3.61 114.28 107.44 3ip3 n THR 255 Ca -0.14 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3ip3 n THR 255 Cb 0.66 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 3ip3 n THR 255 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ip3 n ARG 256 N -1.70 -0.30 0.00 -0.78 5.12 -0.23 -4.95 116.66 113.83 3ip3 n ARG 256 Ca 0.05 -0.16 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 3ip3 n ARG 256 Cb 0.27 -0.66 0.00 0.00 -1.16 0.00 0.00 32.46 30.91 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 0.00 -0.22 2.85 -0.13 0.00 -1.11 -4.42 105.19 102.16 3ip3 n GLY 257 Ca 0.00 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.00 0.76 -0.13 -0.61 1.01 0.22 -0.26 121.20 120.19 3ip3 s ILE 258 Ca 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 3ip3 s ILE 258 Cb 0.00 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 3ip3 s ILE 258 CO 0.00 0.32 0.09 -0.69 0.00 0.00 0.00 174.94 174.67 3ip3 s VAL 259 N 1.81 5.08 -0.04 2.92 1.01 -0.45 -0.84 120.40 129.90 3ip3 s VAL 259 Ca 0.05 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.10 3ip3 s VAL 259 Cb -0.12 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.04 3ip3 s VAL 259 CO -0.07 0.57 -0.08 -0.70 0.00 0.00 0.00 175.10 174.82 3ip3 s GLU 260 N -0.61 0.99 -0.24 2.72 2.12 0.24 -0.41 118.70 123.51 3ip3 s GLU 260 Ca 0.12 -0.25 -0.04 0.00 0.36 0.00 0.00 54.97 55.16 3ip3 s GLU 260 Cb -0.12 -0.92 -0.00 0.00 0.26 0.00 0.00 34.13 33.35 3ip3 s GLU 260 CO 0.02 0.04 -0.02 0.08 -0.54 0.00 0.00 175.26 174.85 3ip3 s VAL 261 N 0.46 3.48 -0.22 3.70 1.01 -1.26 -0.52 120.40 127.04 3ip3 s VAL 261 Ca -0.07 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.19 3ip3 s VAL 261 Cb -0.11 -2.63 0.06 0.00 0.00 0.00 0.00 36.38 33.70 3ip3 s VAL 261 CO 0.01 0.35 0.57 -0.51 0.00 0.00 0.00 175.10 175.52 3ip3 s ILE 262 N 1.48 -0.01 -1.42 2.22 2.07 -0.58 -4.37 121.20 120.60 3ip3 s ILE 262 Ca 0.05 0.02 -0.06 0.00 -1.41 0.00 0.00 60.65 59.25 3ip3 s ILE 262 Cb -0.15 -0.82 0.04 0.00 0.13 0.00 0.00 42.46 41.66 3ip3 s ILE 262 CO -0.02 0.01 0.78 0.59 -1.91 0.00 0.00 174.94 174.39 3ip3 n ASN 263 N 3.43 -2.53 -1.36 4.50 3.02 -1.26 -1.86 115.26 119.21 3ip3 n ASN 263 Ca -0.17 -0.83 -0.16 0.00 -0.03 0.00 0.00 54.58 53.39 3ip3 n ASN 263 Cb 0.57 -3.83 -0.07 0.00 -0.61 0.00 0.00 39.78 35.84 3ip3 n ASN 263 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ip3 n GLU 264 N -4.45 -1.46 -4.32 3.52 1.02 -1.26 -4.94 120.64 108.75 3ip3 n GLU 264 Ca -0.16 0.99 -0.22 0.00 -0.02 0.00 0.00 57.16 57.76 3ip3 n GLU 264 Cb 0.61 -5.31 -0.11 0.00 -0.02 0.00 0.00 31.44 26.61 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 -3.32 1.23 0.00 3.49 0.52 -0.78 -4.60 118.95 115.50 3ip3 s ARG 265 Ca 0.00 -1.37 0.05 0.00 -0.52 0.00 0.00 55.73 53.90 3ip3 s ARG 265 Cb 0.00 -1.29 -0.03 0.00 0.52 0.00 0.00 34.95 34.15 3ip3 s ARG 265 CO 0.00 0.27 -0.15 0.08 0.02 0.00 0.00 175.30 175.52 3ip3 s VAL 266 N -1.97 3.01 0.03 3.52 1.01 -1.26 -1.53 120.40 123.21 3ip3 s VAL 266 Ca 0.14 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.19 3ip3 s VAL 266 Cb -0.06 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 3ip3 s VAL 266 CO 0.06 0.44 -0.09 -0.36 0.00 0.00 0.00 175.10 175.15 3ip3 s PHE 267 N -0.87 0.76 -0.02 5.22 0.40 0.32 -1.88 117.98 121.91 3ip3 s PHE 267 Ca 0.14 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.17 3ip3 s PHE 267 Cb -0.11 -0.46 -0.00 0.00 0.51 0.00 0.00 43.02 42.96 3ip3 s PHE 267 CO 0.04 -0.03 -0.10 -1.17 0.70 0.00 0.00 175.22 174.66 3ip3 s LEU 268 N -0.98 1.86 -0.05 -0.37 2.96 0.13 -0.59 118.68 121.63 3ip3 s LEU 268 Ca -0.03 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 3ip3 s LEU 268 Cb -0.07 -0.59 0.01 0.00 0.50 0.00 0.00 46.19 46.04 3ip3 s LEU 268 CO 0.00 0.09 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.13 3ip3 s THR 269 N 0.06 0.97 0.00 3.68 2.01 -0.02 -1.79 115.64 120.55 3ip3 s THR 269 Ca -0.01 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.57 3ip3 s THR 269 Cb -0.08 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.55 3ip3 s THR 269 CO 0.00 0.31 0.00 -0.90 -0.69 0.00 0.00 174.62 173.34 3ip3 n ASP 270 N 3.62 1.07 0.14 3.53 5.68 -0.94 -0.61 116.55 129.04 3ip3 n ASP 270 Ca -0.21 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.21 3ip3 n ASP 270 Cb 0.52 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.94 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 -0.97 0.11 9.09 -1.99 -3.30 114.58 117.53 3ip3 h GLU 271 Ca 0.00 0.00 -0.64 0.00 0.05 0.00 0.00 59.36 58.77 3ip3 h GLU 271 Cb 0.00 0.00 -0.34 0.00 -1.65 0.00 0.00 28.75 26.76 3ip3 h GLU 271 CO 0.00 0.00 0.30 1.63 0.05 0.00 0.00 179.01 180.99 3ip3 n LYS 272 N -2.43 3.01 0.00 1.06 5.02 -1.26 -5.07 118.16 118.49 3ip3 n LYS 272 Ca 0.04 -3.61 0.00 0.00 -2.02 0.00 0.00 58.31 52.72 3ip3 n LYS 272 Cb 0.37 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 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 -0.83 -1.80 3.12 0.72 0.00 -1.24 -4.94 105.19 100.23 3ip3 n GLY 273 Ca 0.56 -1.62 -0.26 0.00 0.00 0.00 0.00 46.02 44.69 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 0.00 1.73 0.03 1.61 2.46 -1.26 -2.22 115.29 117.64 3ip3 s HIS 274 Ca 0.00 -0.54 -0.28 0.00 0.47 0.00 0.00 55.06 54.72 3ip3 s HIS 274 Cb 0.00 -1.18 0.07 0.00 -0.13 0.00 0.00 32.58 31.34 3ip3 s HIS 274 CO 0.00 -0.20 0.65 -0.98 -2.47 0.00 0.00 174.74 171.75 3ip3 s ARG 275 N 0.15 1.14 0.99 2.88 3.03 -0.74 -5.02 118.95 121.38 3ip3 s ARG 275 Ca -0.06 -0.04 -0.12 0.00 2.03 0.00 0.00 55.73 57.54 3ip3 s ARG 275 Cb -0.13 0.53 0.18 0.00 -1.03 0.00 0.00 34.95 34.51 3ip3 s ARG 275 CO 0.03 -0.42 1.08 -2.00 -1.13 0.00 0.00 175.30 172.86 3ip3 s GLU 276 N -2.23 0.48 -0.02 3.89 2.12 -1.26 -0.69 118.70 120.99 3ip3 s GLU 276 Ca -0.06 0.95 0.04 0.00 0.36 0.00 0.00 54.97 56.26 3ip3 s GLU 276 Cb -0.00 -1.71 -0.00 0.00 0.26 0.00 0.00 34.13 32.67 3ip3 s GLU 276 CO 0.01 -2.81 -0.12 0.08 -0.54 0.00 0.00 175.26 171.87 3ip3 s VAL 277 N -2.73 1.00 0.25 3.70 1.01 -0.79 -4.76 120.40 118.08 3ip3 s VAL 277 Ca 0.66 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 3ip3 s VAL 277 Cb -0.21 -0.85 -0.09 0.00 0.00 0.00 0.00 36.38 35.23 3ip3 s VAL 277 CO 0.60 0.29 1.25 -2.16 0.00 0.00 0.00 175.10 175.08 3ip3 s PRO 278 N -0.09 4.44 0.24 2.72 0.04 -1.26 -4.54 135.00 136.55 3ip3 s PRO 278 Ca 0.01 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 3ip3 s PRO 278 Cb -0.07 -3.17 -0.09 0.00 0.04 0.00 0.00 34.50 31.21 3ip3 s PRO 278 CO 0.00 -0.13 1.23 -0.51 0.04 0.00 0.00 177.00 177.64 3ip3 s LEU 279 N -0.82 4.46 1.12 -3.56 1.43 -1.26 -5.02 118.68 115.02 3ip3 s LEU 279 Ca 0.52 2.38 -0.16 0.00 -1.03 0.00 0.00 54.13 55.84 3ip3 s LEU 279 Cb -0.36 -3.62 0.25 0.00 0.03 0.00 0.00 46.19 42.49 3ip3 s LEU 279 CO 0.42 -0.40 1.08 0.68 0.23 0.00 0.00 176.35 178.37 3ip3 s VAL 280 N -0.44 1.81 0.45 -1.59 -7.23 -1.26 -5.01 120.40 107.14 3ip3 s VAL 280 Ca 0.52 0.00 -0.24 0.00 -1.81 0.00 0.00 61.98 60.45 3ip3 s VAL 280 Cb -0.35 -2.43 -0.07 0.00 0.56 0.00 0.00 36.38 34.08 3ip3 s VAL 280 CO 0.41 0.00 1.22 -0.70 -0.31 0.00 0.00 175.10 175.72 3ip3 s GLU 281 N -5.09 3.77 0.97 4.82 2.56 -1.26 -4.70 118.70 119.78 3ip3 s GLU 281 Ca 0.68 1.93 -0.12 0.00 0.00 0.00 0.00 54.97 57.45 3ip3 s GLU 281 Cb -0.16 -2.51 0.17 0.00 2.00 0.00 0.00 34.13 33.63 3ip3 s GLU 281 CO 0.58 -0.58 1.11 -1.59 -0.56 0.00 0.00 175.26 174.22 3ip3 s LYS 282 N -2.55 0.68 0.07 4.30 -2.85 -1.26 -4.77 119.74 113.36 3ip3 s LYS 282 Ca 0.62 0.40 0.00 0.00 -1.00 0.00 0.00 55.97 55.99 3ip3 s LYS 282 Cb -0.33 -1.78 -0.00 0.00 -2.06 0.00 0.00 37.83 33.67 3ip3 s LYS 282 CO 0.40 -2.54 0.01 0.41 0.10 0.00 0.00 175.35 173.73 3ip3 n GLY 283 N -1.56 4.06 3.24 0.59 0.00 -0.17 -5.00 105.19 106.35 3ip3 n GLY 283 Ca 0.06 -2.14 -0.11 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.27 0.37 0.05 1.61 -0.44 -1.26 -4.72 119.66 113.00 3ip3 s GLN 284 Ca 0.01 0.72 -0.25 0.00 -2.50 0.00 0.00 55.36 53.34 3ip3 s GLN 284 Cb 0.00 -0.01 -0.17 0.00 -1.64 0.00 0.00 33.01 31.19 3ip3 s GLN 284 CO 0.01 -0.15 1.56 0.97 0.50 0.00 0.00 175.29 178.18 3ip3 h ILE 285 N 5.46 1.01 -0.04 -2.34 2.10 -1.88 -2.30 117.51 119.54 3ip3 h ILE 285 Ca -0.36 -0.35 -0.11 0.00 1.08 0.00 0.00 64.86 65.12 3ip3 h ILE 285 Cb 1.18 1.24 -0.01 0.00 -1.09 0.00 0.00 36.82 38.14 3ip3 h ILE 285 CO 0.30 0.09 -0.49 0.15 -1.08 0.00 0.00 178.15 177.12 3ip3 h PHE 286 N -0.28 0.10 -0.85 2.19 3.57 -1.91 -0.73 116.94 119.04 3ip3 h PHE 286 Ca -0.01 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 3ip3 h PHE 286 Cb 0.23 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 3ip3 h PHE 286 CO -0.02 0.56 0.41 0.93 -2.23 0.00 0.00 178.31 177.96 3ip3 h GLU 287 N 0.07 1.23 -0.29 1.11 5.08 -1.69 0.14 114.58 120.23 3ip3 h GLU 287 Ca 0.00 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.08 3ip3 h GLU 287 Cb 0.89 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3ip3 h GLU 287 CO 0.07 0.94 -0.24 0.22 -1.00 0.00 0.00 179.01 178.99 3ip3 h ASP 288 N 1.21 0.55 -0.34 1.42 3.58 -0.81 -2.20 116.42 119.84 3ip3 h ASP 288 Ca 0.29 -0.19 -0.08 0.00 0.42 0.00 0.00 57.03 57.47 3ip3 h ASP 288 Cb 0.12 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 3ip3 h ASP 288 CO -0.04 0.79 -0.10 0.15 -2.88 0.00 0.00 179.24 177.17 3ip3 h PHE 289 N 0.49 0.75 -0.10 0.28 3.04 -0.59 -2.87 116.94 117.94 3ip3 h PHE 289 Ca 0.07 -0.17 0.02 0.00 3.98 0.00 0.00 57.97 61.88 3ip3 h PHE 289 Cb 0.68 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.99 3ip3 h PHE 289 CO 0.03 0.84 -0.03 -0.07 -2.02 0.00 0.00 178.31 177.06 3ip3 h LEU 290 N 0.45 -0.10 -2.06 0.59 3.38 -0.59 -1.99 115.31 114.98 3ip3 h LEU 290 Ca 0.08 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.17 3ip3 h LEU 290 Cb 0.60 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3ip3 h LEU 290 CO 0.04 -0.04 0.22 0.03 0.09 0.00 0.00 178.44 178.78 3ip3 h ARG 291 N -0.00 0.00 -0.06 1.13 3.08 -1.38 0.19 114.38 117.34 3ip3 h ARG 291 Ca 0.05 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 3ip3 h ARG 291 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3ip3 h ARG 291 CO -0.11 0.00 -0.28 1.49 -1.07 0.00 0.00 179.97 180.00 3ip3 h GLU 292 N 0.00 0.29 -0.30 0.04 4.57 -1.20 0.45 114.58 118.43 3ip3 h GLU 292 Ca 0.13 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3ip3 h GLU 292 Cb 0.58 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 3ip3 h GLU 292 CO -0.00 0.88 0.17 0.82 -1.18 0.00 0.00 179.01 179.69 3ip3 h ILE 293 N -0.23 1.09 -0.67 2.32 1.08 -0.46 -2.24 117.51 118.39 3ip3 h ILE 293 Ca -0.02 -0.23 -0.15 0.00 -0.39 0.00 0.00 64.86 64.07 3ip3 h ILE 293 Cb 0.93 0.69 -0.09 0.00 -3.07 0.00 0.00 36.82 35.28 3ip3 h ILE 293 CO 0.06 0.10 0.19 0.54 -0.69 0.00 0.00 178.15 178.35 3ip3 n ARG 294 N -4.46 3.97 -1.35 2.37 1.74 0.53 -4.94 116.66 114.51 3ip3 n ARG 294 Ca 0.01 -2.97 -0.05 0.00 -0.77 0.00 0.00 57.85 54.07 3ip3 n ARG 294 Cb 0.09 -2.20 -0.02 0.00 -1.02 0.00 0.00 32.46 29.31 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 0.09 0.28 0.19 -0.13 0.00 -0.84 -4.76 105.19 100.01 3ip3 n GLY 295 Ca 0.36 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.46 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 4.20 -0.40 -3.49 115.11 117.03 3ip3 h GLN 296 Ca -0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3ip3 h GLN 296 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3ip3 h GLN 296 CO 0.14 0.19 0.00 0.41 -0.67 0.00 0.00 178.83 178.89 3ip3 n GLY 297 N 1.15 0.44 3.64 3.46 0.00 -0.65 -4.99 105.19 108.24 3ip3 n GLY 297 Ca 0.03 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.00 4.10 0.00 1.61 -0.14 -1.26 -2.64 119.74 119.42 3ip3 s LYS 298 Ca 0.00 0.17 0.00 0.00 -1.36 0.00 0.00 55.97 54.78 3ip3 s LYS 298 Cb 0.00 -3.60 0.00 0.00 -1.68 0.00 0.00 37.83 32.55 3ip3 s LYS 298 CO 0.00 -0.17 0.00 0.00 -0.76 0.00 0.00 175.35 174.42 3ip3 n VAL 301 N -1.90 0.00 -1.35 0.00 0.31 -1.26 -4.97 118.33 109.16 3ip3 n VAL 301 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 3ip3 n VAL 301 Cb 0.00 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.05 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 2.70 0.34 2.52 -4.23 -1.26 -4.77 115.64 110.94 3ip3 s THR 302 Ca 0.00 0.23 0.11 0.00 -1.18 0.00 0.00 61.69 60.85 3ip3 s THR 302 Cb 0.00 -2.83 0.07 0.00 1.34 0.00 0.00 72.50 71.08 3ip3 s THR 302 CO 0.00 -0.30 1.77 -0.65 -0.54 0.00 0.00 174.62 174.91 3ip3 h PRO 303 N -1.41 0.05 -0.57 3.99 0.11 -1.94 -1.98 132.00 130.25 3ip3 h PRO 303 Ca -0.49 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 3ip3 h PRO 303 Cb 1.29 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 3ip3 h PRO 303 CO 0.57 0.45 0.11 0.93 -0.21 0.00 0.00 178.00 179.86 3ip3 h GLU 304 N 0.05 0.90 -0.30 1.05 3.07 -1.92 -1.52 114.58 115.90 3ip3 h GLU 304 Ca 0.00 -0.21 -0.04 0.00 -0.50 0.00 0.00 59.36 58.62 3ip3 h GLU 304 Cb 0.74 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 3ip3 h GLU 304 CO 0.05 0.83 0.03 -0.44 -1.40 0.00 0.00 179.01 178.09 3ip3 h ASP 305 N 0.86 0.49 -0.83 1.42 3.32 -1.85 -1.80 116.42 118.04 3ip3 h ASP 305 Ca 0.18 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 56.97 3ip3 h ASP 305 Cb 0.35 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 3ip3 h ASP 305 CO 0.00 0.64 0.55 0.28 -1.72 0.00 0.00 179.24 179.00 3ip3 h SER 306 N 0.32 0.95 0.06 6.45 0.02 -1.02 -0.99 113.55 119.33 3ip3 h SER 306 Ca 0.09 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3ip3 h SER 306 Cb 0.37 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3ip3 h SER 306 CO 0.01 0.68 -0.03 0.40 -1.14 0.00 0.00 176.83 176.75 3ip3 h ILE 307 N 1.12 1.24 -0.33 3.27 2.04 -1.28 -3.13 117.51 120.45 3ip3 h ILE 307 Ca 0.30 -1.50 0.02 0.00 1.00 0.00 0.00 64.86 64.69 3ip3 h ILE 307 Cb -0.12 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 3ip3 h ILE 307 CO -0.07 0.35 0.17 0.25 0.00 0.00 0.00 178.15 178.85 3ip3 h LEU 308 N -0.81 0.25 -1.11 1.44 5.85 -1.20 0.52 115.31 120.25 3ip3 h LEU 308 Ca -0.01 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3ip3 h LEU 308 Cb 0.63 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 3ip3 h LEU 308 CO 0.01 0.19 0.04 0.71 -0.34 0.00 0.00 178.44 179.05 3ip3 h THR 309 N 0.34 1.21 -0.33 1.05 1.35 -1.32 0.43 112.91 115.64 3ip3 h THR 309 Ca 0.13 -0.83 -0.04 0.00 -0.55 0.00 0.00 66.41 65.13 3ip3 h THR 309 Cb 0.04 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 67.29 3ip3 h THR 309 CO -0.09 0.29 0.05 0.74 -0.25 0.00 0.00 175.52 176.26 3ip3 h THR 310 N 0.64 1.24 -0.29 6.82 2.02 -1.42 -0.89 112.91 121.02 3ip3 h THR 310 Ca 0.14 -0.84 0.06 0.00 0.77 0.00 0.00 66.41 66.54 3ip3 h THR 310 Cb 0.33 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.83 3ip3 h THR 310 CO 0.01 0.28 -0.10 -0.08 0.37 0.00 0.00 175.52 175.99 3ip3 h GLU 311 N 0.38 -0.04 -0.46 6.66 4.81 -0.11 -0.18 114.58 125.64 3ip3 h GLU 311 Ca 0.10 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3ip3 h GLU 311 Cb 0.36 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 3ip3 h GLU 311 CO 0.01 -0.03 0.29 0.82 -0.73 0.00 0.00 179.01 179.37 3ip3 h ILE 312 N -0.04 1.09 -0.99 2.32 2.04 -0.86 -1.02 117.51 120.04 3ip3 h ILE 312 Ca 0.15 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.86 3ip3 h ILE 312 Cb 0.27 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 3ip3 h ILE 312 CO -0.33 0.11 0.64 0.00 0.00 0.00 0.00 178.15 178.58 3ip3 h ALA 313 N 1.19 1.41 -0.37 1.87 0.00 -0.52 -0.85 119.26 121.99 3ip3 h ALA 313 Ca 0.18 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 3ip3 h ALA 313 Cb -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3ip3 h ALA 313 CO -0.06 0.46 -0.41 -0.07 0.00 0.00 0.00 179.25 179.17 3ip3 h LEU 314 N 1.18 0.98 -0.88 0.00 3.38 -0.48 -1.45 115.31 118.04 3ip3 h LEU 314 Ca 0.42 -0.46 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3ip3 h LEU 314 Cb 0.14 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3ip3 h LEU 314 CO -0.16 1.25 -0.25 0.11 0.09 0.00 0.00 178.44 179.49 3ip3 h LYS 315 N 0.74 0.54 -0.35 1.13 1.57 -0.88 -0.42 116.57 118.90 3ip3 h LYS 315 Ca 0.05 -0.21 -0.14 0.00 -1.87 0.00 0.00 60.65 58.49 3ip3 h LYS 315 Cb 1.00 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 3ip3 h LYS 315 CO 0.10 0.75 -0.34 0.00 -0.57 0.00 0.00 179.45 179.39 3ip3 h ALA 316 N 1.26 0.74 -0.59 3.86 0.00 -1.02 -1.04 119.26 122.47 3ip3 h ALA 316 Ca 0.07 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 3ip3 h ALA 316 Cb 0.69 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3ip3 h ALA 316 CO 0.05 0.66 0.00 -0.09 0.00 0.00 0.00 179.25 179.87 3ip3 h ARG 317 N 0.66 1.02 -0.25 0.00 2.43 -0.98 -1.12 114.38 116.15 3ip3 h ARG 317 Ca 0.07 -0.32 0.01 0.00 -0.81 0.00 0.00 59.98 58.93 3ip3 h ARG 317 Cb 0.88 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 3ip3 h ARG 317 CO 0.08 1.00 0.15 1.25 -1.51 0.00 0.00 179.97 180.94 3ip3 h LEU 318 N 0.94 0.25 -0.32 3.80 5.85 -0.90 0.01 115.31 124.93 3ip3 h LEU 318 Ca 0.17 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.95 3ip3 h LEU 318 Cb 0.54 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 3ip3 h LEU 318 CO 0.03 0.18 -0.10 -1.28 -0.34 0.00 0.00 178.44 176.93 3ip3 h SER 319 N 0.31 -0.35 -0.13 1.25 0.87 -0.99 -0.49 113.55 114.01 3ip3 h SER 319 Ca 0.09 0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.68 3ip3 h SER 319 Cb -0.01 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 3ip3 h SER 319 CO -0.04 -0.13 -0.15 0.00 -0.53 0.00 0.00 176.83 175.99 3ip3 h ALA 320 N 1.28 1.21 0.00 6.23 0.00 -0.89 0.24 119.26 127.34 3ip3 h ALA 320 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ip3 h ALA 320 Cb 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ip3 h ALA 320 CO -0.35 0.51 0.00 -0.44 0.00 0.00 0.00 179.25 178.97 3ip3 h ASP 321 N 0.46 0.00 0.00 0.00 3.32 -0.56 -3.37 116.42 116.27 3ip3 h ASP 321 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3ip3 h ASP 321 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3ip3 h ASP 321 CO 0.03 0.00 -0.97 0.35 -1.72 0.00 0.00 179.24 176.93 3ip3 n THR 322 N -2.67 0.00 -0.97 0.35 -2.24 -0.23 -5.01 114.28 103.51 3ip3 n THR 322 Ca 0.04 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3ip3 n THR 322 Cb 0.41 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 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 1.93 0.42 3.90 3.38 0.00 0.80 -5.03 105.19 110.60 3ip3 n GLY 323 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.52 3.34 0.04 1.61 -1.52 -1.21 -5.05 119.66 116.35 3ip3 s GLN 324 Ca 0.00 -0.53 -0.31 0.00 -1.95 0.00 0.00 55.36 52.57 3ip3 s GLN 324 Cb 0.00 -2.96 -0.06 0.00 -0.22 0.00 0.00 33.01 29.77 3ip3 s GLN 324 CO 0.00 0.58 1.40 0.42 -0.25 0.00 0.00 175.29 177.43 3ip3 s ILE 325 N -1.56 3.58 -0.19 1.08 1.01 -1.26 -4.47 121.20 119.38 3ip3 s ILE 325 Ca 0.34 1.04 -0.05 0.00 0.00 0.00 0.00 60.65 61.98 3ip3 s ILE 325 Cb -0.12 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 3ip3 s ILE 325 CO 0.27 0.03 -0.01 -0.69 0.00 0.00 0.00 174.94 174.54 3ip3 s VAL 326 N 1.97 3.92 0.32 2.92 1.01 0.08 -4.98 120.40 125.64 3ip3 s VAL 326 Ca 0.64 -0.33 -0.28 0.00 0.00 0.00 0.00 61.98 62.02 3ip3 s VAL 326 Cb -0.33 -2.76 -0.09 0.00 0.00 0.00 0.00 36.38 33.19 3ip3 s VAL 326 CO 0.28 0.44 1.09 -0.76 0.00 0.00 0.00 175.10 176.15 3ip3 s LEU 327 N 0.93 4.43 0.00 3.92 1.02 -1.26 -0.93 118.68 126.79 3ip3 s LEU 327 Ca 0.01 2.23 0.06 0.00 0.02 0.00 0.00 54.13 56.44 3ip3 s LEU 327 Cb -0.14 -3.78 0.05 0.00 0.02 0.00 0.00 46.19 42.33 3ip3 s LEU 327 CO 0.02 -0.27 0.68 -0.38 0.02 0.00 0.00 176.35 176.42