#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ip3 s LEU 2 N 0.00 1.83 -0.20 1.04 1.43 0.19 -5.01 118.68 117.95 3ip3 s LEU 2 Ca 0.00 -0.19 -0.08 0.00 -1.03 0.00 0.00 54.13 52.83 3ip3 s LEU 2 Cb 0.00 -0.54 -0.04 0.00 0.03 0.00 0.00 46.19 45.63 3ip3 s LEU 2 CO 0.00 0.07 0.09 -0.54 0.23 0.00 0.00 176.35 176.21 3ip3 s LYS 3 N 0.12 3.99 -0.13 1.70 1.02 -1.26 -1.84 119.74 123.35 3ip3 s LYS 3 Ca -0.02 -0.33 0.03 0.00 0.02 0.00 0.00 55.97 55.67 3ip3 s LYS 3 Cb -0.08 -3.32 0.01 0.00 -0.52 0.00 0.00 37.83 33.92 3ip3 s LYS 3 CO 0.00 0.19 -0.22 0.42 -0.92 0.00 0.00 175.35 174.82 3ip3 s ILE 4 N 0.62 2.11 0.05 2.17 1.01 -0.22 0.21 121.20 127.16 3ip3 s ILE 4 Ca 0.05 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.76 3ip3 s ILE 4 Cb -0.13 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 3ip3 s ILE 4 CO 0.01 0.55 -0.02 0.00 0.00 0.00 0.00 174.94 175.48 3ip3 s VAL 6 N -1.19 2.63 -0.18 0.00 1.01 -0.59 -0.59 120.40 121.49 3ip3 s VAL 6 Ca 0.22 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 3ip3 s VAL 6 Cb -0.11 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.23 3ip3 s VAL 6 CO 0.14 0.56 -0.15 -0.63 0.00 0.00 0.00 175.10 175.02 3ip3 s ILE 7 N -0.01 2.58 0.00 2.22 1.01 0.56 -1.35 121.20 126.20 3ip3 s ILE 7 Ca -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.82 3ip3 s ILE 7 Cb -0.15 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.22 3ip3 s ILE 7 CO 0.05 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.10 3ip3 n GLY 8 N 4.45 0.18 0.21 6.18 0.00 -0.10 -1.13 105.19 114.97 3ip3 n GLY 8 Ca -0.20 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3ip3 n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ip3 n SER 9 N -0.89 0.00 -1.61 1.61 2.88 -0.76 -4.74 113.62 110.11 3ip3 n SER 9 Ca 0.00 -1.34 0.08 0.00 -1.33 0.00 0.00 58.87 56.28 3ip3 n SER 9 Cb 0.00 -0.07 0.36 0.00 -0.75 0.00 0.00 64.21 63.76 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 0.00 5.10 0.00 -3.46 7.64 -0.57 -4.71 113.62 117.63 3ip3 n SER 10 Ca 0.00 -2.80 0.00 0.00 1.01 0.00 0.00 58.87 57.08 3ip3 n SER 10 Cb 0.57 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 3ip3 n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ip3 n GLY 11 N 0.56 5.06 2.49 0.23 0.00 -1.23 -4.83 105.19 107.47 3ip3 n GLY 11 Ca 0.26 -1.28 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 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 1.93 -0.04 1.61 8.25 -1.26 -4.69 115.22 121.02 3ip3 n HIS 12 Ca 0.00 -2.22 0.24 0.00 -0.26 0.00 0.00 57.72 55.47 3ip3 n HIS 12 Cb 0.00 -1.51 0.72 0.00 1.12 0.00 0.00 29.99 30.32 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 3.51 0.00 0.00 4.41 -5.15 -1.94 -0.96 116.94 116.81 3ip3 h PHE 13 Ca 0.49 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 58.24 3ip3 h PHE 13 Cb 0.58 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.75 3ip3 h PHE 13 CO 1.50 0.00 -0.10 0.00 -2.00 0.00 0.00 178.31 177.72 3ip3 h ARG 14 N 0.00 0.00 -0.35 6.09 3.08 -1.99 -0.69 114.38 120.52 3ip3 h ARG 14 Ca 0.30 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.42 3ip3 h ARG 14 Cb 1.34 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.33 3ip3 h ARG 14 CO -0.00 0.10 -0.10 1.88 -1.07 0.00 0.00 179.97 180.78 3ip3 h TYR 15 N 0.00 -0.21 0.78 3.04 0.05 -1.58 -0.82 116.97 118.24 3ip3 h TYR 15 Ca -0.00 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 3ip3 h TYR 15 Cb 0.26 0.15 0.01 0.00 1.01 0.00 0.00 36.73 38.16 3ip3 h TYR 15 CO 0.00 -0.16 -0.38 0.00 -1.05 0.00 0.00 178.16 176.57 3ip3 h ALA 16 N 1.34 -1.05 -0.95 3.88 0.00 -1.31 -2.91 119.26 118.25 3ip3 h ALA 16 Ca 0.17 -0.23 0.21 0.00 0.00 0.00 0.00 54.91 55.05 3ip3 h ALA 16 Cb 0.27 0.41 -0.11 0.00 0.00 0.00 0.00 17.79 18.35 3ip3 h ALA 16 CO -0.37 -1.07 0.53 -0.07 0.00 0.00 0.00 179.25 178.26 3ip3 h LEU 17 N -1.08 0.61 -0.00 0.00 3.38 -1.37 0.53 115.31 117.37 3ip3 h LEU 17 Ca -0.11 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ip3 h LEU 17 Cb 0.81 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3ip3 h LEU 17 CO 0.18 0.15 -0.00 -0.62 0.09 0.00 0.00 178.44 178.24 3ip3 n GLU 18 N -4.88 0.42 0.00 1.13 1.02 -0.32 -2.93 120.64 115.07 3ip3 n GLU 18 Ca 0.23 -0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.46 3ip3 n GLU 18 Cb 0.62 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.62 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 1.29 0.48 3.73 0.62 0.00 0.16 -4.95 105.19 106.53 3ip3 n GLY 19 Ca 0.14 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.59 3.20 0.00 0.99 1.43 -1.15 -4.21 118.68 117.35 3ip3 s LEU 20 Ca 0.22 2.16 0.03 0.00 -1.03 0.00 0.00 54.13 55.51 3ip3 s LEU 20 Cb 0.16 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.80 3ip3 s LEU 20 CO 0.24 -2.24 0.10 -0.90 0.23 0.00 0.00 176.35 173.77 3ip3 n ASP 21 N -3.06 -0.11 0.18 2.29 5.68 -1.26 -5.06 116.55 115.20 3ip3 n ASP 21 Ca 0.12 -1.78 0.02 0.00 -0.50 0.00 0.00 54.79 52.65 3ip3 n ASP 21 Cb 0.51 0.57 0.33 0.00 -1.14 0.00 0.00 41.12 41.39 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 -0.58 0.11 3.07 -2.04 -2.89 114.58 112.25 3ip3 h GLU 22 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 3ip3 h GLU 22 Cb 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3ip3 h GLU 22 CO 0.13 0.43 0.00 0.39 -1.40 0.00 0.00 179.01 178.55 3ip3 n GLU 23 N -3.91 1.18 -4.42 2.33 -0.58 -1.26 -4.80 120.64 109.18 3ip3 n GLU 23 Ca -0.01 -0.17 -0.27 0.00 -0.42 0.00 0.00 57.16 56.28 3ip3 n GLU 23 Cb 0.47 -1.33 -0.12 0.00 -0.57 0.00 0.00 31.44 29.89 3ip3 n GLU 23 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ip3 s SER 25 N -2.70 -0.67 -0.34 0.00 1.04 -0.76 -4.84 113.70 105.43 3ip3 s SER 25 Ca 0.21 1.12 -0.27 0.00 0.48 0.00 0.00 55.95 57.49 3ip3 s SER 25 Cb -0.08 1.02 0.01 0.00 0.10 0.00 0.00 66.02 67.07 3ip3 s SER 25 CO 0.10 -0.21 0.97 -0.63 0.98 0.00 0.00 173.24 174.45 3ip3 s ILE 26 N 1.53 4.58 -0.19 -1.02 1.01 -1.26 -1.06 121.20 124.79 3ip3 s ILE 26 Ca -0.10 1.44 0.06 0.00 0.00 0.00 0.00 60.65 62.06 3ip3 s ILE 26 Cb -0.07 -4.34 -0.16 0.00 0.01 0.00 0.00 42.46 37.90 3ip3 s ILE 26 CO -0.15 -0.47 -0.09 0.35 0.00 0.00 0.00 174.94 174.57 3ip3 n THR 27 N 5.87 1.14 -4.34 2.92 -2.24 -0.83 -4.45 114.28 112.35 3ip3 n THR 27 Ca 0.09 -0.53 -0.21 0.00 -2.27 0.00 0.00 64.05 61.13 3ip3 n THR 27 Cb 0.48 -0.98 -0.13 0.00 -2.10 0.00 0.00 70.33 67.60 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 -5.59 0.88 0.05 3.38 0.00 -1.24 -0.38 107.32 104.42 3ip3 s GLY 28 Ca -0.20 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 43.61 3ip3 s GLY 28 CO 0.54 -0.91 -0.07 -0.26 0.00 0.00 0.00 173.10 172.40 3ip3 s ILE 29 N -0.96 0.52 -0.13 0.90 -4.36 -1.00 -1.54 121.20 114.63 3ip3 s ILE 29 Ca 0.02 -1.31 -0.23 0.00 -0.26 0.00 0.00 60.65 58.86 3ip3 s ILE 29 Cb -0.09 -0.89 0.06 0.00 1.25 0.00 0.00 42.46 42.79 3ip3 s ILE 29 CO 0.02 -0.54 0.58 0.00 0.24 0.00 0.00 174.94 175.23 3ip3 s ALA 30 N -2.07 -1.47 0.65 2.27 0.00 -0.46 -1.11 121.76 119.59 3ip3 s ALA 30 Ca -0.04 1.35 -0.16 0.00 0.00 0.00 0.00 51.96 53.11 3ip3 s ALA 30 Cb -0.05 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 3ip3 s ALA 30 CO -0.02 -0.31 1.14 -1.25 0.00 0.00 0.00 175.76 175.33 3ip3 s PRO 31 N -0.44 2.73 0.12 0.00 0.04 -1.26 -0.92 135.00 135.26 3ip3 s PRO 31 Ca -0.06 1.55 0.02 0.00 0.04 0.00 0.00 61.00 62.56 3ip3 s PRO 31 Cb -0.03 -1.93 -0.17 0.00 0.04 0.00 0.00 34.50 32.41 3ip3 s PRO 31 CO 0.04 -1.33 1.27 0.78 0.04 0.00 0.00 177.00 177.80 3ip3 h GLY 32 N 0.19 0.16 -4.62 0.56 0.00 -1.93 -3.37 103.07 94.06 3ip3 h GLY 32 Ca -0.48 -0.36 -0.34 0.00 0.00 0.00 0.00 47.33 46.15 3ip3 h GLY 32 CO 0.53 0.32 -0.76 -1.34 0.00 0.00 0.00 176.54 175.29 3ip3 s VAL 33 N -2.84 0.83 0.06 4.60 -7.23 -1.26 -4.94 120.40 109.62 3ip3 s VAL 33 Ca -0.02 -1.19 -0.11 0.00 -1.81 0.00 0.00 61.98 58.86 3ip3 s VAL 33 Cb 0.09 -0.84 -0.02 0.00 0.56 0.00 0.00 36.38 36.16 3ip3 s VAL 33 CO 0.84 -0.30 0.61 -2.65 -0.31 0.00 0.00 175.10 173.29 3ip3 n PRO 34 N 1.38 -0.15 -0.05 4.82 -0.01 -1.26 -1.32 135.00 138.40 3ip3 n PRO 34 Ca -0.22 0.60 0.12 0.00 -0.01 0.00 0.00 63.50 63.99 3ip3 n PRO 34 Cb 0.54 -0.88 0.38 0.00 -0.01 0.00 0.00 33.50 33.53 3ip3 n PRO 34 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 175.50 174.64 3ip3 n GLU 35 N -4.14 1.85 -1.66 -0.52 0.00 -1.26 -4.95 120.64 109.97 3ip3 n GLU 35 Ca 0.01 -1.26 -0.48 0.00 0.00 0.00 0.00 57.16 55.42 3ip3 n GLU 35 Cb 0.09 -1.45 -0.05 0.00 0.00 0.00 0.00 31.44 30.04 3ip3 n GLU 35 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3ip3 n GLU 36 N 0.50 1.94 -2.35 3.44 2.13 -0.43 -4.90 120.64 120.97 3ip3 n GLU 36 Ca 0.17 0.70 -0.43 0.00 0.66 0.00 0.00 57.16 58.27 3ip3 n GLU 36 Cb 0.40 -2.46 -0.02 0.00 0.27 0.00 0.00 31.44 29.63 3ip3 n GLU 36 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3ip3 s ASP 37 N 1.41 6.92 -0.06 4.31 2.15 -1.26 -4.91 116.67 125.22 3ip3 s ASP 37 Ca 0.83 1.85 0.15 0.00 0.43 0.00 0.00 52.55 55.81 3ip3 s ASP 37 Cb -0.74 -2.55 0.48 0.00 -0.30 0.00 0.00 42.92 39.81 3ip3 s ASP 37 CO 0.42 -0.73 1.41 0.18 -0.17 0.00 0.00 175.17 176.28 3ip3 n LEU 38 N 6.17 3.66 -0.00 -1.34 4.77 -1.26 -4.55 117.00 124.44 3ip3 n LEU 38 Ca 0.14 -2.32 -0.09 0.00 -0.03 0.00 0.00 56.01 53.70 3ip3 n LEU 38 Cb 0.45 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3ip3 n LEU 38 CO 0.57 0.77 0.79 0.28 -1.33 0.00 0.00 177.39 178.47 3ip3 h SER 39 N 2.68 -0.33 -0.24 -1.43 0.02 -1.93 -1.23 113.55 111.09 3ip3 h SER 39 Ca 0.00 0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.08 3ip3 h SER 39 Cb 1.08 0.17 -0.08 0.00 0.14 0.00 0.00 62.40 63.71 3ip3 h SER 39 CO 0.10 -0.14 -0.35 0.11 -1.14 0.00 0.00 176.83 175.41 3ip3 h LYS 40 N -0.12 -0.35 -0.45 3.45 1.57 -1.87 0.24 116.57 119.04 3ip3 h LYS 40 Ca 0.08 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.93 3ip3 h LYS 40 Cb 0.24 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 3ip3 h LYS 40 CO -0.20 -0.23 0.23 1.25 -0.57 0.00 0.00 179.45 179.92 3ip3 h LEU 41 N -0.36 0.32 -0.54 2.94 5.85 -1.79 -2.38 115.31 119.36 3ip3 h LEU 41 Ca 0.12 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 3ip3 h LEU 41 Cb 0.56 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3ip3 h LEU 41 CO -0.44 0.23 0.12 -0.33 -0.34 0.00 0.00 178.44 177.68 3ip3 h GLU 42 N 0.45 0.87 -0.68 1.25 5.08 -0.26 -0.87 114.58 120.42 3ip3 h GLU 42 Ca 0.20 -0.21 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 3ip3 h GLU 42 Cb 0.11 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 3ip3 h GLU 42 CO -0.14 0.82 0.34 -0.22 -1.00 0.00 0.00 179.01 178.81 3ip3 h LYS 43 N 0.76 0.58 -0.12 2.33 1.63 -0.44 -2.42 116.57 118.89 3ip3 h LYS 43 Ca 0.17 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.83 3ip3 h LYS 43 Cb 0.35 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 3ip3 h LYS 43 CO 0.00 0.38 -0.32 0.00 -3.45 0.00 0.00 179.45 176.06 3ip3 h ALA 44 N 1.40 0.20 -0.06 5.00 0.00 -0.98 -2.43 119.26 122.39 3ip3 h ALA 44 Ca 0.33 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3ip3 h ALA 44 Cb 0.32 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ip3 h ALA 44 CO -0.25 0.24 0.01 -0.84 0.00 0.00 0.00 179.25 178.42 3ip3 h ILE 45 N 0.01 1.19 -0.48 0.00 3.07 -1.13 -3.13 117.51 117.05 3ip3 h ILE 45 Ca -0.01 -0.59 0.07 0.00 1.55 0.00 0.00 64.86 65.88 3ip3 h ILE 45 Cb 0.93 1.47 -0.06 0.00 -0.27 0.00 0.00 36.82 38.90 3ip3 h ILE 45 CO 0.07 0.16 0.16 0.77 -1.05 0.00 0.00 178.15 178.27 3ip3 h SER 46 N -0.12 0.16 0.00 2.16 4.64 -1.52 -2.95 113.55 115.93 3ip3 h SER 46 Ca 0.02 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3ip3 h SER 46 Cb 0.25 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3ip3 h SER 46 CO 0.00 0.12 0.00 -0.62 -0.87 0.00 0.00 176.83 175.46 3ip3 n GLU 47 N -5.02 0.00 -2.94 4.77 1.02 -0.91 -4.49 120.64 113.07 3ip3 n GLU 47 Ca 0.05 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.05 3ip3 n GLU 47 Cb 0.19 -1.44 0.02 0.00 -0.02 0.00 0.00 31.44 30.19 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 1.82 -1.13 -3.76 1.62 4.13 -1.12 -5.09 115.26 111.74 3ip3 n ASN 49 Ca 0.00 -3.29 -0.21 0.00 1.68 0.00 0.00 54.58 52.76 3ip3 n ASN 49 Cb 0.00 0.78 -0.17 0.00 -1.54 0.00 0.00 39.78 38.85 3ip3 n ASN 49 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3ip3 s ILE 50 N -0.68 0.25 -0.58 2.41 1.01 -1.19 -5.10 121.20 117.31 3ip3 s ILE 50 Ca 0.31 0.17 -0.02 0.00 0.00 0.00 0.00 60.65 61.11 3ip3 s ILE 50 Cb 0.28 -0.42 0.15 0.00 0.01 0.00 0.00 42.46 42.49 3ip3 s ILE 50 CO -0.10 0.23 0.39 -0.75 0.00 0.00 0.00 174.94 174.70 3ip3 s LYS 51 N 1.83 2.42 0.11 2.79 2.20 -1.26 -4.34 119.74 123.48 3ip3 s LYS 51 Ca 0.02 -2.41 -0.02 0.00 -0.36 0.00 0.00 55.97 53.20 3ip3 s LYS 51 Cb -0.12 -3.68 -0.05 0.00 -1.51 0.00 0.00 37.83 32.47 3ip3 s LYS 51 CO -0.04 -1.15 0.29 -1.25 -0.36 0.00 0.00 175.35 172.84 3ip3 s PRO 52 N 0.13 3.51 -0.06 4.03 0.04 -1.26 -4.95 135.00 136.44 3ip3 s PRO 52 Ca 0.15 -0.31 -0.30 0.00 0.04 0.00 0.00 61.00 60.58 3ip3 s PRO 52 Cb -0.21 -2.95 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 3ip3 s PRO 52 CO -0.03 0.53 1.21 0.21 0.04 0.00 0.00 177.00 178.96 3ip3 s LYS 53 N -2.68 4.34 -0.11 4.56 2.20 0.48 -4.84 119.74 123.69 3ip3 s LYS 53 Ca 0.37 1.68 -0.15 0.00 -0.36 0.00 0.00 55.97 57.51 3ip3 s LYS 53 Cb -0.12 -3.57 -0.05 0.00 -1.51 0.00 0.00 37.83 32.58 3ip3 s LYS 53 CO 0.27 -0.46 0.37 0.21 -0.36 0.00 0.00 175.35 175.38 3ip3 s LYS 54 N 2.29 4.18 0.21 4.03 2.20 -1.26 -2.36 119.74 129.02 3ip3 s LYS 54 Ca 0.56 0.27 0.07 0.00 -0.36 0.00 0.00 55.97 56.51 3ip3 s LYS 54 Cb -0.25 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 3ip3 s LYS 54 CO 0.22 0.33 0.07 0.71 -0.36 0.00 0.00 175.35 176.31 3ip3 s TYR 55 N 0.14 2.93 0.10 4.03 1.51 -0.26 -4.98 117.35 120.81 3ip3 s TYR 55 Ca 0.21 -0.13 -0.11 0.00 -1.01 0.00 0.00 57.07 56.04 3ip3 s TYR 55 Cb -0.14 -1.37 -0.16 0.00 -0.11 0.00 0.00 41.96 40.17 3ip3 s TYR 55 CO 0.08 0.54 1.26 -0.97 -1.11 0.00 0.00 175.55 175.35 3ip3 h ASN 56 N 2.23 0.82 -4.85 2.29 -0.73 -1.97 -3.39 115.58 109.98 3ip3 h ASN 56 Ca -0.47 -0.61 -0.19 0.00 1.87 0.00 0.00 56.30 56.90 3ip3 h ASN 56 Cb 1.22 -0.25 -0.15 0.00 0.27 0.00 0.00 38.32 39.41 3ip3 h ASN 56 CO 0.60 1.41 -0.69 0.54 -0.37 0.00 0.00 177.43 178.92 3ip3 s ASN 57 N -7.18 0.89 0.20 1.15 6.03 -1.26 -4.68 114.94 110.09 3ip3 s ASN 57 Ca -0.09 -1.03 0.02 0.00 -1.03 0.00 0.00 52.86 50.73 3ip3 s ASN 57 Cb 0.08 0.14 0.13 0.00 -3.03 0.00 0.00 41.25 38.57 3ip3 s ASN 57 CO 0.90 -0.53 1.48 4.11 -2.03 0.00 0.00 177.10 181.03 3ip3 h TRP 58 N 3.00 0.39 -0.17 1.54 5.08 -1.89 -3.22 115.95 120.69 3ip3 h TRP 58 Ca -0.35 -0.17 -0.09 0.00 1.08 0.00 0.00 58.89 59.36 3ip3 h TRP 58 Cb 1.16 -0.06 -0.01 0.00 -3.00 0.00 0.00 29.16 27.25 3ip3 h TRP 58 CO 0.56 0.90 -0.29 0.11 -1.28 0.00 0.00 178.44 178.43 3ip3 h TRP 59 N 0.20 0.37 0.00 0.12 0.09 -1.97 0.50 115.95 115.25 3ip3 h TRP 59 Ca -0.02 -0.08 0.00 0.00 0.09 0.00 0.00 58.89 58.88 3ip3 h TRP 59 Cb 1.25 -0.09 0.00 0.00 0.08 0.00 0.00 29.16 30.40 3ip3 h TRP 59 CO 0.03 0.59 0.00 0.39 0.09 0.00 0.00 178.44 179.54 3ip3 n GLU 60 N -4.11 0.57 0.00 0.12 1.02 -1.22 -2.08 120.64 114.95 3ip3 n GLU 60 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3ip3 n GLU 60 Cb 0.41 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 3ip3 n GLU 60 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ip3 n LEU 62 N 1.11 0.00 -0.12 -4.62 4.32 0.16 -1.08 117.00 116.77 3ip3 n LEU 62 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.94 3ip3 n LEU 62 Cb 0.29 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.11 3ip3 n LEU 62 CO 0.00 0.00 0.83 -0.33 -1.22 0.00 0.00 177.39 176.67 3ip3 h GLU 63 N 0.00 0.08 0.02 3.23 4.39 -1.68 -2.71 114.58 117.90 3ip3 h GLU 63 Ca 0.00 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 3ip3 h GLU 63 Cb 0.00 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3ip3 h GLU 63 CO 0.00 0.05 -0.01 0.87 -1.16 0.00 0.00 179.01 178.76 3ip3 h LYS 64 N 0.08 -0.03 0.00 2.33 1.57 -1.40 -3.39 116.57 115.73 3ip3 h LYS 64 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3ip3 h LYS 64 Cb 0.28 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3ip3 h LYS 64 CO -0.35 0.59 -0.45 0.39 -0.57 0.00 0.00 179.45 179.07 3ip3 n GLU 65 N -4.70 0.29 -3.89 3.15 -0.58 -1.25 -4.97 120.64 108.69 3ip3 n GLU 65 Ca -0.07 0.13 -0.34 0.00 -0.42 0.00 0.00 57.16 56.47 3ip3 n GLU 65 Cb 0.30 -1.73 0.01 0.00 -0.57 0.00 0.00 31.44 29.46 3ip3 n GLU 65 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ip3 n LYS 66 N -2.17 -1.52 -1.90 3.49 4.76 -1.02 -4.87 118.16 114.93 3ip3 n LYS 66 Ca 0.04 0.32 -0.33 0.00 -2.87 0.00 0.00 58.31 55.47 3ip3 n LYS 66 Cb 0.44 -3.81 0.03 0.00 -1.84 0.00 0.00 35.03 29.85 3ip3 n LYS 66 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3ip3 s PRO 67 N -6.58 3.01 0.04 1.97 0.04 -1.26 -4.96 135.00 127.26 3ip3 s PRO 67 Ca 0.32 1.37 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 3ip3 s PRO 67 Cb -0.14 -1.98 -0.27 0.00 0.04 0.00 0.00 34.50 32.15 3ip3 s PRO 67 CO 0.91 -1.08 1.01 -0.44 0.04 0.00 0.00 177.00 177.44 3ip3 h ASP 68 N 0.29 0.35 -3.35 6.66 3.32 -0.57 -3.46 116.42 119.65 3ip3 h ASP 68 Ca -0.47 -0.42 -0.48 0.00 0.02 0.00 0.00 57.03 55.67 3ip3 h ASP 68 Cb 1.24 -0.11 -0.35 0.00 0.22 0.00 0.00 39.33 40.33 3ip3 h ASP 68 CO 0.55 1.34 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.99 3ip3 s ILE 69 N -2.64 0.87 -0.20 0.35 1.01 -0.72 -2.93 121.20 116.94 3ip3 s ILE 69 Ca -0.06 -0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.24 3ip3 s ILE 69 Cb 0.07 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 3ip3 s ILE 69 CO 0.86 0.31 0.08 -0.22 0.00 0.00 0.00 174.94 175.98 3ip3 s LEU 70 N 1.14 3.85 -0.33 2.97 2.96 0.86 -1.23 118.68 128.91 3ip3 s LEU 70 Ca -0.07 0.06 -0.09 0.00 -0.22 0.00 0.00 54.13 53.82 3ip3 s LEU 70 Cb -0.14 -1.99 0.01 0.00 0.50 0.00 0.00 46.19 44.57 3ip3 s LEU 70 CO -0.01 0.13 0.15 -0.69 -1.32 0.00 0.00 176.35 174.61 3ip3 s VAL 71 N 0.62 4.37 -0.29 1.68 1.01 0.24 -0.23 120.40 127.81 3ip3 s VAL 71 Ca 0.04 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 3ip3 s VAL 71 Cb -0.13 -3.31 0.03 0.00 0.00 0.00 0.00 36.38 32.97 3ip3 s VAL 71 CO 0.01 -0.03 0.03 -0.63 0.00 0.00 0.00 175.10 174.48 3ip3 s ILE 72 N 1.55 3.39 -0.48 2.22 1.01 0.42 -0.32 121.20 128.99 3ip3 s ILE 72 Ca 0.03 -1.03 0.06 0.00 0.00 0.00 0.00 60.65 59.71 3ip3 s ILE 72 Cb -0.18 -2.82 0.21 0.00 0.01 0.00 0.00 42.46 39.69 3ip3 s ILE 72 CO 0.05 0.02 0.70 -0.46 0.00 0.00 0.00 174.94 175.26 3ip3 n ASN 73 N 4.74 -2.34 0.00 3.58 2.04 -0.29 -0.31 115.26 122.69 3ip3 n ASN 73 Ca -0.14 -2.95 0.00 0.00 -0.44 0.00 0.00 54.58 51.04 3ip3 n ASN 73 Cb 0.46 1.13 0.00 0.00 -2.53 0.00 0.00 39.78 38.84 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 2.24 0.00 -1.59 5.53 5.66 -1.25 -1.51 114.28 123.36 3ip3 n THR 74 Ca 0.17 0.00 -0.49 0.00 -3.05 0.00 0.00 64.05 60.68 3ip3 n THR 74 Cb 0.57 -0.11 -0.04 0.00 -1.55 0.00 0.00 70.33 69.20 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 0.64 -0.14 1.08 0.31 -1.26 -4.70 118.33 114.26 3ip3 n VAL 75 Ca 0.00 -0.16 -0.08 0.00 -0.01 0.00 0.00 64.34 64.09 3ip3 n VAL 75 Cb 0.00 -0.91 0.01 0.00 -0.91 0.00 0.00 33.84 32.03 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 3.82 0.55 -0.00 3.52 0.04 -1.84 0.65 116.94 123.68 3ip3 h PHE 76 Ca -0.45 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.34 3ip3 h PHE 76 Cb 1.33 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 39.30 3ip3 h PHE 76 CO 0.56 0.35 0.06 0.66 -0.60 0.00 0.00 178.31 179.35 3ip3 h SER 77 N 0.59 0.00 0.57 2.17 4.64 -1.59 -2.79 113.55 117.14 3ip3 h SER 77 Ca 0.16 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.23 3ip3 h SER 77 Cb -0.06 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 61.99 3ip3 h SER 77 CO -0.03 0.00 -1.60 -0.11 -0.87 0.00 0.00 176.83 174.22 3ip3 n LEU 78 N -3.06 0.88 -0.34 5.97 7.94 0.19 -4.27 117.00 124.30 3ip3 n LEU 78 Ca -0.03 0.41 0.17 0.00 -1.11 0.00 0.00 56.01 55.45 3ip3 n LEU 78 Cb 0.13 0.13 0.38 0.00 0.53 0.00 0.00 43.42 44.60 3ip3 n LEU 78 CO 0.19 0.30 1.17 0.78 -1.11 0.00 0.00 177.39 178.72 3ip3 h ASN 79 N 0.00 0.68 0.47 1.96 2.35 -1.17 -0.50 115.58 119.36 3ip3 h ASN 79 Ca -0.24 0.12 -0.18 0.00 -0.55 0.00 0.00 56.30 55.45 3ip3 h ASN 79 Cb 1.86 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 40.23 3ip3 h ASN 79 CO 0.07 0.14 -0.78 1.23 -1.65 0.00 0.00 177.43 176.44 3ip3 h GLY 80 N 0.60 0.27 0.83 2.83 0.00 -1.73 -0.35 103.07 105.52 3ip3 h GLY 80 Ca 0.63 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.49 3ip3 h GLY 80 CO -0.44 0.37 -0.07 0.50 0.00 0.00 0.00 176.54 176.89 3ip3 h LYS 81 N 0.15 0.45 -0.43 4.80 1.57 -1.40 -1.86 116.57 119.86 3ip3 h LYS 81 Ca -0.03 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.47 3ip3 h LYS 81 Cb 1.36 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.63 3ip3 h LYS 81 CO 0.12 0.70 -0.13 0.82 -0.57 0.00 0.00 179.45 180.39 3ip3 h ILE 82 N 0.17 1.26 -0.69 1.86 2.04 -1.12 -2.75 117.51 118.29 3ip3 h ILE 82 Ca 0.05 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 3ip3 h ILE 82 Cb 0.55 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 3ip3 h ILE 82 CO 0.03 0.41 0.37 0.25 0.00 0.00 0.00 178.15 179.21 3ip3 h LEU 83 N 0.71 0.86 -0.36 1.44 5.85 -0.99 -0.44 115.31 122.38 3ip3 h LEU 83 Ca 0.11 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.81 3ip3 h LEU 83 Cb 0.62 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 3ip3 h LEU 83 CO 0.04 0.72 -0.13 0.25 -0.34 0.00 0.00 178.44 178.98 3ip3 h LEU 84 N 0.94 -0.45 -0.20 2.25 5.85 -1.08 -0.95 115.31 121.68 3ip3 h LEU 84 Ca 0.24 0.12 0.02 0.00 0.84 0.00 0.00 57.88 59.11 3ip3 h LEU 84 Cb 0.05 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3ip3 h LEU 84 CO -0.04 -0.16 0.04 -0.33 -0.34 0.00 0.00 178.44 177.61 3ip3 h GLU 85 N -0.05 0.12 -0.68 1.25 4.39 -1.17 -1.57 114.58 116.87 3ip3 h GLU 85 Ca 0.18 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.94 3ip3 h GLU 85 Cb 0.32 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.89 3ip3 h GLU 85 CO -0.40 0.08 0.36 0.00 -1.16 0.00 0.00 179.01 177.89 3ip3 h ALA 86 N 1.14 0.92 -0.36 3.43 0.00 -0.34 -1.00 119.26 123.05 3ip3 h ALA 86 Ca 0.09 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3ip3 h ALA 86 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ip3 h ALA 86 CO -0.12 0.01 -0.03 -0.07 0.00 0.00 0.00 179.25 179.04 3ip3 h LEU 87 N 0.65 0.65 -0.98 0.00 3.38 -0.99 0.29 115.31 118.32 3ip3 h LEU 87 Ca 0.32 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ip3 h LEU 87 Cb 0.25 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3ip3 h LEU 87 CO -0.21 0.83 0.60 -0.33 0.09 0.00 0.00 178.44 179.41 3ip3 h GLU 88 N 0.47 1.29 0.00 1.13 5.08 -0.84 0.11 114.58 121.83 3ip3 h GLU 88 Ca 0.10 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3ip3 h GLU 88 Cb 0.51 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3ip3 h GLU 88 CO 0.02 0.89 0.00 0.54 -1.00 0.00 0.00 179.01 179.47 3ip3 n ARG 89 N -4.36 0.91 -3.82 2.33 1.74 -0.42 -4.91 116.66 108.13 3ip3 n ARG 89 Ca 0.11 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.91 3ip3 n ARG 89 Cb 0.04 -1.46 0.04 0.00 -1.02 0.00 0.00 32.46 30.07 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 -0.96 -6.20 -3.47 5.56 5.02 0.38 -5.00 118.16 113.49 3ip3 n LYS 90 Ca 0.20 0.66 -0.37 0.00 -2.02 0.00 0.00 58.31 56.78 3ip3 n LYS 90 Cb 0.09 -5.59 -0.07 0.00 -0.02 0.00 0.00 35.03 29.43 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 -3.32 5.26 0.25 -0.18 1.01 0.91 -4.86 121.20 120.28 3ip3 s ILE 91 Ca 0.62 0.62 -0.31 0.00 0.00 0.00 0.00 60.65 61.58 3ip3 s ILE 91 Cb -0.30 -3.68 -0.13 0.00 0.01 0.00 0.00 42.46 38.37 3ip3 s ILE 91 CO 0.80 0.33 1.54 1.41 0.00 0.00 0.00 174.94 179.01 3ip3 n HIS 92 N 3.99 2.52 -4.67 3.97 8.25 -1.15 -4.30 115.22 123.83 3ip3 n HIS 92 Ca -0.10 0.30 -0.24 0.00 -0.26 0.00 0.00 57.72 57.42 3ip3 n HIS 92 Cb 0.52 -2.55 -0.16 0.00 1.12 0.00 0.00 29.99 28.92 3ip3 n HIS 92 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ip3 s ALA 93 N 0.19 1.30 -0.37 -1.41 0.00 -0.67 -0.10 121.76 120.71 3ip3 s ALA 93 Ca 0.68 -0.54 -0.07 0.00 0.00 0.00 0.00 51.96 52.03 3ip3 s ALA 93 Cb -0.57 -0.47 0.05 0.00 0.00 0.00 0.00 23.12 22.13 3ip3 s ALA 93 CO 0.46 0.20 0.16 0.12 0.00 0.00 0.00 175.76 176.70 3ip3 s PHE 94 N 0.22 3.30 0.01 0.00 5.36 0.69 -1.70 117.98 125.87 3ip3 s PHE 94 Ca -0.06 -1.51 0.08 0.00 -0.96 0.00 0.00 56.93 54.48 3ip3 s PHE 94 Cb -0.12 -2.54 -0.03 0.00 -0.34 0.00 0.00 43.02 39.99 3ip3 s PHE 94 CO 0.02 -0.78 -0.25 0.54 -1.46 0.00 0.00 175.22 173.30 3ip3 s VAL 95 N 1.39 2.21 0.63 3.12 0.11 -0.38 -0.44 120.40 127.05 3ip3 s VAL 95 Ca 0.01 -1.23 -0.17 0.00 -2.93 0.00 0.00 61.98 57.65 3ip3 s VAL 95 Cb -0.21 -1.83 -0.01 0.00 -1.53 0.00 0.00 36.38 32.80 3ip3 s VAL 95 CO 0.02 0.46 1.20 -0.70 -3.33 0.00 0.00 175.10 172.75 3ip3 s GLU 96 N -0.99 2.75 0.38 1.54 2.56 0.58 -4.12 118.70 121.39 3ip3 s GLU 96 Ca 0.11 1.77 -0.10 0.00 0.00 0.00 0.00 54.97 56.75 3ip3 s GLU 96 Cb -0.10 -1.91 -0.07 0.00 2.00 0.00 0.00 34.13 34.06 3ip3 s GLU 96 CO 0.01 -1.37 0.73 -1.59 -0.56 0.00 0.00 175.26 172.48 3ip3 s LYS 97 N -3.55 3.79 0.66 4.30 0.00 -1.26 -3.94 119.74 119.74 3ip3 s LYS 97 Ca 0.76 0.43 -0.13 0.00 0.00 0.00 0.00 55.97 57.02 3ip3 s LYS 97 Cb -0.29 -2.44 -0.00 0.00 0.00 0.00 0.00 37.83 35.10 3ip3 s LYS 97 CO 0.37 0.03 1.07 -1.25 0.00 0.00 0.00 175.35 175.57 3ip3 s PRO 98 N -3.68 2.94 0.00 1.78 0.04 -1.25 -4.91 135.00 129.92 3ip3 s PRO 98 Ca 0.51 1.18 0.29 0.00 0.04 0.00 0.00 61.00 63.01 3ip3 s PRO 98 Cb -0.10 -1.98 1.59 0.00 0.04 0.00 0.00 34.50 34.05 3ip3 s PRO 98 CO 0.29 -1.11 2.04 0.44 0.04 0.00 0.00 177.00 178.70 3ip3 n ILE 99 N -2.63 0.04 -3.60 0.56 -5.35 -1.25 -4.75 119.36 102.38 3ip3 n ILE 99 Ca 0.09 0.01 -0.14 0.00 -0.27 0.00 0.00 62.75 62.44 3ip3 n ILE 99 Cb 0.53 -0.54 -0.07 0.00 -1.74 0.00 0.00 39.64 37.82 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 -2.29 -1.81 -2.29 -1.28 0.00 -1.26 -3.36 121.76 109.47 3ip3 s ALA 100 Ca 0.35 1.81 0.19 0.00 0.00 0.00 0.00 51.96 54.32 3ip3 s ALA 100 Cb 0.20 -0.90 0.12 0.00 0.00 0.00 0.00 23.12 22.54 3ip3 s ALA 100 CO 0.39 -0.33 1.08 0.25 0.00 0.00 0.00 175.76 177.15 3ip3 n THR 101 N 2.09 0.00 -4.07 0.00 -2.24 -1.26 -4.95 114.28 103.85 3ip3 n THR 101 Ca -0.15 -0.46 -0.11 0.00 -2.27 0.00 0.00 64.05 61.06 3ip3 n THR 101 Cb 0.56 1.37 -0.11 0.00 -2.10 0.00 0.00 70.33 70.05 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 -1.71 0.45 0.40 4.28 -4.23 -1.26 -4.94 115.64 108.63 3ip3 s THR 102 Ca 0.21 -1.27 0.06 0.00 -1.18 0.00 0.00 61.69 59.52 3ip3 s THR 102 Cb 0.16 -0.82 0.26 0.00 1.34 0.00 0.00 72.50 73.44 3ip3 s THR 102 CO 0.28 -0.55 2.05 -0.26 -0.54 0.00 0.00 174.62 175.60 3ip3 h PHE 103 N 4.12 0.56 0.04 3.99 0.04 -1.98 -1.84 116.94 121.87 3ip3 h PHE 103 Ca -0.35 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.43 3ip3 h PHE 103 Cb 1.19 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.15 3ip3 h PHE 103 CO 0.63 0.36 -0.02 1.49 -0.60 0.00 0.00 178.31 180.17 3ip3 h GLU 104 N 0.60 -0.05 -0.68 1.51 4.81 -1.99 0.20 114.58 118.99 3ip3 h GLU 104 Ca 0.16 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3ip3 h GLU 104 Cb -0.06 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 3ip3 h GLU 104 CO -0.03 0.15 0.39 -0.44 -0.73 0.00 0.00 179.01 178.34 3ip3 h ASP 105 N -0.24 0.83 -0.18 1.04 3.32 -1.94 -2.27 116.42 116.98 3ip3 h ASP 105 Ca -0.00 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 56.98 3ip3 h ASP 105 Cb 0.22 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3ip3 h ASP 105 CO 0.01 0.67 0.04 0.25 -1.72 0.00 0.00 179.24 178.49 3ip3 h LEU 106 N 0.92 0.02 -0.95 1.55 5.85 -1.07 -2.01 115.31 119.63 3ip3 h LEU 106 Ca 0.24 0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.01 3ip3 h LEU 106 Cb 0.01 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3ip3 h LEU 106 CO -0.04 0.04 0.62 -0.08 -0.34 0.00 0.00 178.44 178.64 3ip3 h GLU 107 N 0.11 1.21 -0.30 1.25 4.57 -0.86 -0.90 114.58 119.66 3ip3 h GLU 107 Ca 0.08 -0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 3ip3 h GLU 107 Cb 0.07 -0.27 -0.04 0.00 -0.16 0.00 0.00 28.75 28.35 3ip3 h GLU 107 CO -0.10 0.80 0.07 0.87 -1.18 0.00 0.00 179.01 179.46 3ip3 h LYS 108 N 1.24 0.17 -0.65 1.92 1.57 -1.06 -0.99 116.57 118.77 3ip3 h LYS 108 Ca 0.36 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.15 3ip3 h LYS 108 Cb -0.08 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 3ip3 h LYS 108 CO -0.10 0.11 0.41 0.82 -0.57 0.00 0.00 179.45 180.13 3ip3 h ILE 109 N 0.18 1.11 -0.02 1.86 2.04 -0.66 -0.29 117.51 121.73 3ip3 h ILE 109 Ca 0.14 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.73 3ip3 h ILE 109 Cb 0.15 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3ip3 h ILE 109 CO -0.18 0.15 -0.04 -0.09 0.00 0.00 0.00 178.15 177.99 3ip3 h ARG 110 N 0.82 -0.05 0.03 2.37 2.43 -0.87 0.11 114.38 119.22 3ip3 h ARG 110 Ca 0.25 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.45 3ip3 h ARG 110 Cb -0.02 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 3ip3 h ARG 110 CO -0.09 -0.04 -0.24 0.77 -1.51 0.00 0.00 179.97 178.87 3ip3 h SER 111 N -0.06 -0.69 -0.41 -3.80 0.02 -0.83 -1.79 113.55 105.99 3ip3 h SER 111 Ca 0.02 0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.96 3ip3 h SER 111 Cb 0.09 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 3ip3 h SER 111 CO -0.05 -0.31 -0.14 0.58 -1.14 0.00 0.00 176.83 175.77 3ip3 h VAL 112 N -0.39 1.27 -0.54 2.27 2.07 -1.00 -3.09 116.25 116.83 3ip3 h VAL 112 Ca 0.05 -1.26 -0.10 0.00 0.82 0.00 0.00 66.70 66.21 3ip3 h VAL 112 Cb 0.46 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3ip3 h VAL 112 CO -0.19 0.43 -0.07 0.22 0.02 0.00 0.00 177.57 177.98 3ip3 h TYR 113 N 0.79 1.08 -0.32 1.57 3.20 -0.51 -2.03 116.97 120.74 3ip3 h TYR 113 Ca 0.12 -0.20 0.03 0.00 3.14 0.00 0.00 58.73 61.82 3ip3 h TYR 113 Cb 0.67 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 3ip3 h TYR 113 CO 0.04 0.99 0.22 -0.56 -1.64 0.00 0.00 178.16 177.21 3ip3 h GLN 114 N 0.88 0.31 -0.12 1.82 3.07 -1.25 -1.60 115.11 118.22 3ip3 h GLN 114 Ca 0.15 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.86 3ip3 h GLN 114 Cb 0.61 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 28.09 3ip3 h GLN 114 CO 0.04 0.20 0.05 0.87 0.09 0.00 0.00 178.83 180.08 3ip3 h LYS 115 N 0.32 0.18 -0.31 0.06 6.56 -1.32 -3.37 116.57 118.70 3ip3 h LYS 115 Ca 0.13 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.69 3ip3 h LYS 115 Cb 0.14 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 3ip3 h LYS 115 CO -0.03 0.28 0.00 1.33 -2.06 0.00 0.00 179.45 178.97 3ip3 n VAL 116 N -4.90 0.82 0.30 0.50 0.24 -1.03 -4.72 118.33 109.53 3ip3 n VAL 116 Ca -0.05 -0.91 0.16 0.00 -2.04 0.00 0.00 64.34 61.50 3ip3 n VAL 116 Cb 0.11 0.64 0.92 0.00 -1.47 0.00 0.00 33.84 34.04 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 2.20 0.00 0.00 7.34 0.11 -1.46 -0.37 114.38 122.20 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 0.70 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.78 3ip3 h ARG 117 CO 0.00 0.04 0.00 -0.91 0.10 0.00 0.00 179.97 179.20 3ip3 h ASN 118 N 0.00 0.00 0.00 0.08 -0.26 -1.88 -3.36 115.58 110.17 3ip3 h ASN 118 Ca -0.00 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.55 3ip3 h ASN 118 Cb 0.13 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.35 3ip3 h ASN 118 CO 0.00 0.00 -1.73 -0.62 -1.06 0.00 0.00 177.43 174.03 3ip3 n GLU 119 N -2.48 1.98 -4.59 0.81 1.02 -0.27 -5.04 120.64 112.07 3ip3 n GLU 119 Ca 0.05 0.01 -0.22 0.00 -0.02 0.00 0.00 57.16 56.97 3ip3 n GLU 119 Cb 0.42 -1.27 -0.15 0.00 -0.02 0.00 0.00 31.44 30.42 3ip3 n GLU 119 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3ip3 s VAL 120 N -2.26 1.04 -0.09 2.62 0.11 -0.47 -4.99 120.40 116.37 3ip3 s VAL 120 Ca -0.07 -0.54 0.01 0.00 -2.93 0.00 0.00 61.98 58.45 3ip3 s VAL 120 Cb 0.03 -0.89 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 3ip3 s VAL 120 CO 0.41 0.30 -0.11 0.12 -3.33 0.00 0.00 175.10 172.49 3ip3 s PHE 121 N -0.14 2.81 0.09 1.54 5.36 -1.26 -4.49 117.98 121.89 3ip3 s PHE 121 Ca 0.02 -0.28 0.03 0.00 -0.96 0.00 0.00 56.93 55.74 3ip3 s PHE 121 Cb -0.07 -1.74 -0.04 0.00 -0.34 0.00 0.00 43.02 40.83 3ip3 s PHE 121 CO 0.00 0.08 -0.09 -0.59 -1.46 0.00 0.00 175.22 173.16 3ip3 s PHE 122 N -0.33 0.96 0.24 10.12 -0.71 -1.26 -1.67 117.98 125.34 3ip3 s PHE 122 Ca 0.03 -0.73 -0.15 0.00 -1.04 0.00 0.00 56.93 55.04 3ip3 s PHE 122 Cb -0.13 -0.54 0.01 0.00 -1.21 0.00 0.00 43.02 41.15 3ip3 s PHE 122 CO 0.02 -0.06 0.53 -0.08 -1.34 0.00 0.00 175.22 174.30 3ip3 s THR 123 N -2.76 0.01 0.00 -4.49 -1.32 -0.69 -3.69 115.64 102.71 3ip3 s THR 123 Ca 0.06 -1.20 0.00 0.00 -1.21 0.00 0.00 61.69 59.34 3ip3 s THR 123 Cb -0.01 -2.03 0.00 0.00 -1.51 0.00 0.00 72.50 68.96 3ip3 s THR 123 CO -0.02 -0.04 0.00 0.00 -2.21 0.00 0.00 174.62 172.36 3ip3 n ALA 124 N -0.38 0.00 0.00 11.08 0.00 -1.26 -1.25 120.51 128.69 3ip3 n ALA 124 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3ip3 n ALA 124 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 0.30 0.00 3.72 -1.26 -4.83 117.46 115.39 3ip3 n PHE 126 Ca 0.00 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.55 3ip3 n PHE 126 Cb 0.00 0.00 0.51 0.00 -0.94 0.00 0.00 39.48 39.05 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 -2.01 -3.22 103.07 101.21 3ip3 h GLY 127 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3ip3 h GLY 127 CO 0.00 0.00 -0.27 -2.22 0.00 0.00 0.00 176.54 174.05 3ip3 h ILE 128 N 0.00 1.15 -1.03 2.60 2.04 -1.99 -1.99 117.51 118.30 3ip3 h ILE 128 Ca 0.00 -0.93 0.26 0.00 1.00 0.00 0.00 64.86 65.19 3ip3 h ILE 128 Cb 0.64 1.51 -0.10 0.00 -0.74 0.00 0.00 36.82 38.13 3ip3 h ILE 128 CO 0.00 0.26 0.65 0.03 0.00 0.00 0.00 178.15 179.09 3ip3 h ARG 129 N 0.00 0.43 -0.00 2.37 3.08 -1.97 -2.10 114.38 116.19 3ip3 h ARG 129 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3ip3 h ARG 129 Cb 0.48 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3ip3 h ARG 129 CO 0.03 0.29 -0.02 0.66 -1.07 0.00 0.00 179.97 179.86 3ip3 n TYR 130 N -4.67 0.00 -2.41 3.04 4.02 -0.75 -3.27 117.16 113.12 3ip3 n TYR 130 Ca 0.25 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.77 3ip3 n TYR 130 Cb 0.83 -0.12 -0.03 0.00 -0.02 0.00 0.00 39.34 40.00 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 -2.27 4.00 0.36 -0.72 0.52 -0.79 -0.98 118.95 119.06 3ip3 s ARG 131 Ca 0.37 1.65 0.10 0.00 -0.52 0.00 0.00 55.73 57.33 3ip3 s ARG 131 Cb 0.21 -2.51 0.84 0.00 0.52 0.00 0.00 34.95 34.01 3ip3 s ARG 131 CO 0.42 -0.31 1.85 -1.35 0.02 0.00 0.00 175.30 175.93 3ip3 h PRO 132 N 2.35 0.65 -0.21 3.54 0.11 -1.85 -1.67 132.00 134.92 3ip3 h PRO 132 Ca -0.49 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.44 3ip3 h PRO 132 Cb 1.23 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3ip3 h PRO 132 CO 0.62 0.43 -0.48 1.12 -0.21 0.00 0.00 178.00 179.47 3ip3 h HIS 133 N 0.67 0.67 -0.11 0.65 2.07 -1.88 -1.32 115.15 115.91 3ip3 h HIS 133 Ca 0.47 -0.22 -0.22 0.00 -2.85 0.00 0.00 60.37 57.56 3ip3 h HIS 133 Cb 0.81 -0.13 0.01 0.00 2.57 0.00 0.00 27.41 30.66 3ip3 h HIS 133 CO -0.00 0.92 -0.81 0.74 -3.07 0.00 0.00 177.93 175.71 3ip3 h PHE 134 N 0.43 0.91 -0.71 6.12 0.04 -1.63 -2.32 116.94 119.79 3ip3 h PHE 134 Ca 0.02 -0.42 -0.02 0.00 2.80 0.00 0.00 57.97 60.35 3ip3 h PHE 134 Cb 1.00 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.99 3ip3 h PHE 134 CO 0.04 1.24 0.35 -0.07 -0.60 0.00 0.00 178.31 179.27 3ip3 h LEU 135 N 0.44 0.91 -0.15 1.54 3.38 -1.31 -1.39 115.31 118.73 3ip3 h LEU 135 Ca -0.06 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 3ip3 h LEU 135 Cb 1.43 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 3ip3 h LEU 135 CO 0.16 0.76 -0.12 0.74 0.09 0.00 0.00 178.44 180.07 3ip3 h THR 136 N 1.01 1.34 -0.52 0.22 2.02 -1.22 -1.64 112.91 114.12 3ip3 h THR 136 Ca 0.25 -1.25 0.06 0.00 0.77 0.00 0.00 66.41 66.24 3ip3 h THR 136 Cb 0.09 1.82 -0.05 0.00 -1.74 0.00 0.00 68.15 68.27 3ip3 h THR 136 CO -0.03 0.37 0.21 0.00 0.37 0.00 0.00 175.52 176.44 3ip3 h ALA 137 N 0.63 0.65 -0.35 6.16 0.00 -1.29 -0.57 119.26 124.49 3ip3 h ALA 137 Ca 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ip3 h ALA 137 Cb 0.64 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3ip3 h ALA 137 CO 0.03 -0.17 0.19 -0.22 0.00 0.00 0.00 179.25 179.08 3ip3 h LYS 138 N 0.41 0.48 -0.08 0.00 1.63 -1.15 -1.06 116.57 116.81 3ip3 h LYS 138 Ca 0.24 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.98 3ip3 h LYS 138 Cb 0.23 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 3ip3 h LYS 138 CO -0.22 0.41 0.05 -0.22 -3.45 0.00 0.00 179.45 176.01 3ip3 h LYS 139 N 0.43 0.11 -0.29 1.90 3.64 -1.01 -0.68 116.57 120.67 3ip3 h LYS 139 Ca 0.12 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.54 3ip3 h LYS 139 Cb 0.06 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 3ip3 h LYS 139 CO -0.02 0.11 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.20 3ip3 h LEU 140 N 0.07 -0.12 -0.27 5.20 3.38 -0.91 0.88 115.31 123.54 3ip3 h LEU 140 Ca 0.03 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3ip3 h LEU 140 Cb 0.04 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3ip3 h LEU 140 CO -0.01 -0.03 -0.01 0.58 0.09 0.00 0.00 178.44 179.07 3ip3 h VAL 141 N 0.08 1.26 -0.22 1.22 2.07 -1.13 -1.37 116.25 118.17 3ip3 h VAL 141 Ca 0.14 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 3ip3 h VAL 141 Cb 0.18 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3ip3 h VAL 141 CO -0.23 0.30 -0.08 -1.28 0.02 0.00 0.00 177.57 176.30 3ip3 h SER 142 N 0.26 0.33 1.12 0.57 0.87 -0.84 -1.63 113.55 114.22 3ip3 h SER 142 Ca 0.08 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3ip3 h SER 142 Cb 0.44 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 3ip3 h SER 142 CO 0.02 0.45 0.00 -0.62 -0.53 0.00 0.00 176.83 176.15 3ip3 n GLU 143 N -4.28 0.23 0.00 2.24 1.02 0.28 -4.93 120.64 115.20 3ip3 n GLU 143 Ca 0.00 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 3ip3 n GLU 143 Cb 0.26 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 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 0.69 1.20 0.32 0.62 0.00 -0.61 -5.01 105.19 102.40 3ip3 n GLY 144 Ca 0.04 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.24 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 1.44 -0.08 4.61 0.00 -1.43 -2.40 119.26 121.40 3ip3 h ALA 145 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ip3 h ALA 145 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ip3 h ALA 145 CO 0.00 -0.09 0.00 1.33 0.00 0.00 0.00 179.25 180.49 3ip3 n VAL 146 N -3.57 0.23 -3.56 0.00 0.24 -1.26 -4.24 118.33 106.17 3ip3 n VAL 146 Ca -0.02 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 3ip3 n VAL 146 Cb 0.15 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 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 0.52 2.19 3.70 7.63 0.00 -0.91 -0.76 105.19 117.57 3ip3 n GLY 147 Ca 0.07 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 3ip3 n GLY 147 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ip3 s GLU 148 N 0.00 4.45 0.26 1.61 2.12 -1.26 -4.75 118.70 121.13 3ip3 s GLU 148 Ca 0.00 1.13 -0.30 0.00 0.36 0.00 0.00 54.97 56.16 3ip3 s GLU 148 Cb 0.00 -3.49 -0.09 0.00 0.26 0.00 0.00 34.13 30.81 3ip3 s GLU 148 CO 0.00 -0.09 1.29 0.42 -0.54 0.00 0.00 175.26 176.34 3ip3 s ILE 149 N 1.25 3.05 0.00 -3.70 1.01 -1.26 -0.32 121.20 121.22 3ip3 s ILE 149 Ca 0.43 0.94 0.00 0.00 0.00 0.00 0.00 60.65 62.03 3ip3 s ILE 149 Cb -0.19 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.68 3ip3 s ILE 149 CO 0.20 0.18 0.00 0.54 0.00 0.00 0.00 174.94 175.86 3ip3 n ARG 150 N 1.80 3.36 -3.68 2.79 5.12 0.32 -4.89 116.66 121.47 3ip3 n ARG 150 Ca 0.03 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.83 3ip3 n ARG 150 Cb 0.43 -0.98 -0.09 0.00 -1.16 0.00 0.00 32.46 30.66 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 -3.75 -0.20 -0.05 0.55 2.96 -0.75 -3.01 118.68 114.43 3ip3 s LEU 151 Ca 0.00 1.12 0.01 0.00 -0.22 0.00 0.00 54.13 55.05 3ip3 s LEU 151 Cb 0.00 1.87 0.02 0.00 0.50 0.00 0.00 46.19 48.58 3ip3 s LEU 151 CO 0.00 -0.20 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.08 3ip3 s VAL 152 N 0.60 0.66 -0.05 1.68 1.01 -0.17 -0.32 120.40 123.81 3ip3 s VAL 152 Ca -0.02 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.80 3ip3 s VAL 152 Cb -0.05 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 3ip3 s VAL 152 CO -0.03 0.25 -0.16 0.20 0.00 0.00 0.00 175.10 175.36 3ip3 s ASN 153 N 0.87 3.91 0.03 3.32 0.02 -0.07 -0.32 114.94 122.70 3ip3 s ASN 153 Ca -0.12 -0.23 0.00 0.00 -1.02 0.00 0.00 52.86 51.50 3ip3 s ASN 153 Cb -0.15 -0.79 -0.02 0.00 0.02 0.00 0.00 41.25 40.31 3ip3 s ASN 153 CO 0.01 0.34 -0.04 0.42 0.02 0.00 0.00 177.10 177.85 3ip3 s THR 154 N -0.71 0.21 -0.02 1.60 -4.23 -0.28 -0.50 115.64 111.71 3ip3 s THR 154 Ca 0.11 -1.01 0.01 0.00 -1.18 0.00 0.00 61.69 59.62 3ip3 s THR 154 Cb -0.11 -0.42 0.01 0.00 1.34 0.00 0.00 72.50 73.33 3ip3 s THR 154 CO 0.00 -0.51 -0.02 -1.58 -0.54 0.00 0.00 174.62 171.98 3ip3 s GLN 155 N -1.65 0.29 -0.08 3.99 0.74 0.10 -1.68 119.66 121.37 3ip3 s GLN 155 Ca -0.13 -0.02 0.04 0.00 0.05 0.00 0.00 55.36 55.29 3ip3 s GLN 155 Cb -0.09 -0.37 0.00 0.00 1.10 0.00 0.00 33.01 33.66 3ip3 s GLN 155 CO -0.01 -0.03 -0.20 0.15 -0.55 0.00 0.00 175.29 174.65 3ip3 s LYS 156 N 0.45 2.45 -0.14 1.67 -0.14 -0.16 -2.29 119.74 121.58 3ip3 s LYS 156 Ca -0.04 -0.70 -0.04 0.00 -1.36 0.00 0.00 55.97 53.82 3ip3 s LYS 156 Cb -0.07 -1.93 0.07 0.00 -1.68 0.00 0.00 37.83 34.22 3ip3 s LYS 156 CO -0.01 0.15 0.19 0.45 -0.76 0.00 0.00 175.35 175.37 3ip3 s SER 157 N 0.37 1.11 0.14 2.83 0.15 -1.24 -1.11 113.70 115.95 3ip3 s SER 157 Ca -0.15 0.05 0.11 0.00 0.70 0.00 0.00 55.95 56.66 3ip3 s SER 157 Cb -0.16 0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 64.41 3ip3 s SER 157 CO 0.06 -0.29 -0.25 -0.31 1.20 0.00 0.00 173.24 173.66 3ip3 s TYR 158 N 2.30 2.21 0.29 3.44 2.02 -0.71 -1.66 117.35 125.24 3ip3 s TYR 158 Ca 0.04 -0.39 -0.29 0.00 -0.37 0.00 0.00 57.07 56.06 3ip3 s TYR 158 Cb -0.14 -1.17 -0.10 0.00 -0.40 0.00 0.00 41.96 40.15 3ip3 s TYR 158 CO -0.09 0.35 1.30 0.15 -1.57 0.00 0.00 175.55 175.69 3ip3 s LYS 159 N -2.18 4.38 0.00 -0.62 1.02 -0.33 -2.27 119.74 119.74 3ip3 s LYS 159 Ca 0.14 2.14 0.00 0.00 0.02 0.00 0.00 55.97 58.28 3ip3 s LYS 159 Cb -0.09 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 3ip3 s LYS 159 CO 0.06 -0.18 0.00 -0.11 -0.92 0.00 0.00 175.35 174.20 3ip3 n LEU 160 N 1.43 1.49 0.00 3.17 7.94 -1.26 -4.98 117.00 124.80 3ip3 n LEU 160 Ca 0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 3ip3 n LEU 160 Cb 0.42 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.37 3ip3 n LEU 160 CO 0.58 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.47 3ip3 n GLY 161 N 2.55 -0.01 3.75 -3.96 0.00 -1.26 -4.77 105.19 101.49 3ip3 n GLY 161 Ca 0.00 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 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 4.39 0.07 1.61 0.74 -1.26 -5.06 119.66 120.15 3ip3 s GLN 162 Ca 0.00 0.85 0.01 0.00 0.05 0.00 0.00 55.36 56.27 3ip3 s GLN 162 Cb 0.00 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 3ip3 s GLN 162 CO 0.00 0.29 -0.06 1.03 -0.55 0.00 0.00 175.29 176.00 3ip3 s ARG 163 N 0.03 0.68 0.56 1.67 1.81 -1.26 -5.13 118.95 117.31 3ip3 s ARG 163 Ca 0.34 -1.15 -0.19 0.00 -1.72 0.00 0.00 55.73 53.01 3ip3 s ARG 163 Cb -0.19 -0.09 -0.08 0.00 -0.45 0.00 0.00 34.95 34.15 3ip3 s ARG 163 CO 0.19 -0.03 0.70 -2.30 -0.68 0.00 0.00 175.30 173.18 3ip3 n PRO 164 N 0.38 0.70 0.26 3.54 -0.02 -1.26 -4.87 135.00 133.73 3ip3 n PRO 164 Ca -0.15 0.27 0.11 0.00 -2.02 0.00 0.00 63.50 61.71 3ip3 n PRO 164 Cb 0.59 -1.87 0.71 0.00 -0.02 0.00 0.00 33.50 32.92 3ip3 n PRO 164 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ip3 h ASP 165 N 0.44 0.00 0.19 2.55 3.32 -2.03 -2.07 116.42 118.83 3ip3 h ASP 165 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3ip3 h ASP 165 Cb 1.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.93 3ip3 h ASP 165 CO 0.49 0.10 0.00 2.19 -1.72 0.00 0.00 179.24 180.30 3ip3 h PHE 166 N 0.00 0.00 0.00 4.55 -5.15 -1.95 -1.28 116.94 113.11 3ip3 h PHE 166 Ca -0.00 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.75 3ip3 h PHE 166 Cb 0.22 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.39 3ip3 h PHE 166 CO 0.00 0.00 -0.08 1.88 -2.00 0.00 0.00 178.31 178.11 3ip3 h TYR 167 N 0.00 0.00 0.00 6.09 -1.99 -1.72 -2.94 116.97 116.41 3ip3 h TYR 167 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3ip3 h TYR 167 Cb 0.10 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.83 3ip3 h TYR 167 CO 0.00 0.08 -0.19 0.87 -0.00 0.00 0.00 178.16 178.92 3ip3 h LYS 168 N 0.00 0.00 -5.83 4.88 1.57 -1.40 -3.36 116.57 112.43 3ip3 h LYS 168 Ca -0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 3ip3 h LYS 168 Cb 0.33 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.36 3ip3 h LYS 168 CO 0.01 0.00 -0.82 0.15 -0.57 0.00 0.00 179.45 178.22 3ip3 s LYS 169 N -3.15 2.84 0.22 3.15 -0.14 -1.22 -0.17 119.74 121.27 3ip3 s LYS 169 Ca 0.08 -0.78 -0.07 0.00 -1.36 0.00 0.00 55.97 53.84 3ip3 s LYS 169 Cb 0.11 -2.38 0.30 0.00 -1.68 0.00 0.00 37.83 34.18 3ip3 s LYS 169 CO 0.65 0.38 1.81 -0.09 -0.76 0.00 0.00 175.35 177.33 3ip3 h ARG 170 N 6.12 0.70 -0.87 1.68 9.65 -1.87 0.14 114.38 129.94 3ip3 h ARG 170 Ca -0.33 -0.04 0.15 0.00 -1.10 0.00 0.00 59.98 58.66 3ip3 h ARG 170 Cb 1.19 -0.16 -0.07 0.00 -1.39 0.00 0.00 29.97 29.54 3ip3 h ARG 170 CO 0.51 0.46 0.56 1.49 2.80 0.00 0.00 179.97 185.79 3ip3 h GLU 171 N 0.72 0.61 0.00 0.20 4.57 -1.95 0.22 114.58 118.96 3ip3 h GLU 171 Ca 0.34 -0.04 -0.36 0.00 -1.18 0.00 0.00 59.36 58.12 3ip3 h GLU 171 Cb 0.25 -0.14 -0.07 0.00 -0.16 0.00 0.00 28.75 28.64 3ip3 h GLU 171 CO -0.21 0.41 -2.37 0.25 -1.18 0.00 0.00 179.01 175.90 3ip3 n THR 172 N -4.55 1.34 -0.03 0.32 -2.24 -0.99 -4.60 114.28 103.52 3ip3 n THR 172 Ca 0.17 -0.84 -0.15 0.00 -2.27 0.00 0.00 64.05 60.95 3ip3 n THR 172 Cb 0.49 -0.44 -0.12 0.00 -2.10 0.00 0.00 70.33 68.15 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 0.17 0.00 4.78 3.20 -0.50 -1.89 116.97 122.74 3ip3 h TYR 173 Ca -0.53 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.24 3ip3 h TYR 173 Cb 2.20 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 40.46 3ip3 h TYR 173 CO 0.00 0.96 0.00 0.41 -1.64 0.00 0.00 178.16 177.89 3ip3 n GLY 174 N 1.24 1.88 0.00 1.82 0.00 0.77 -4.63 105.19 106.26 3ip3 n GLY 174 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3ip3 n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ip3 n GLY 175 N -2.00 2.26 0.15 -0.02 0.00 -1.26 -4.53 105.19 99.78 3ip3 n GLY 175 Ca 0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 46.02 44.20 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 1.42 0.11 2.61 2.02 -1.92 -2.16 112.91 114.99 3ip3 h THR 176 Ca 0.00 -2.12 0.01 0.00 0.77 0.00 0.00 66.41 65.07 3ip3 h THR 176 Cb 0.00 2.11 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 3ip3 h THR 176 CO 0.00 0.62 -0.20 0.40 0.37 0.00 0.00 175.52 176.71 3ip3 h ILE 177 N 0.11 0.55 0.00 3.11 2.04 -1.93 0.14 117.51 121.52 3ip3 h ILE 177 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 3ip3 h ILE 177 Cb 1.16 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3ip3 h ILE 177 CO 0.09 0.00 -0.16 -0.65 0.00 0.00 0.00 178.15 177.43 3ip3 h PRO 178 N -0.38 0.00 0.00 2.37 0.11 -1.78 -1.10 132.00 131.22 3ip3 h PRO 178 Ca 0.03 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.02 3ip3 h PRO 178 Cb 0.40 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 3ip3 h PRO 178 CO -0.11 0.16 -0.66 2.35 -0.21 0.00 0.00 178.00 179.53 3ip3 h TRP 179 N 0.00 0.00 0.05 0.65 2.91 -1.24 -3.34 115.95 114.98 3ip3 h TRP 179 Ca -0.00 0.00 -0.29 0.00 1.13 0.00 0.00 58.89 59.73 3ip3 h TRP 179 Cb 0.91 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.54 3ip3 h TRP 179 CO 0.00 1.10 -1.58 0.28 -1.03 0.00 0.00 178.44 177.22 3ip3 n VAL 180 N -4.53 1.64 0.21 2.65 0.31 0.43 -4.45 118.33 114.58 3ip3 n VAL 180 Ca -0.20 -0.29 0.06 0.00 -0.01 0.00 0.00 64.34 63.90 3ip3 n VAL 180 Cb 0.53 -1.92 0.45 0.00 -0.91 0.00 0.00 33.84 32.00 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 -0.16 0.00 2.00 2.92 0.00 -0.73 -3.09 103.07 104.01 3ip3 h GLY 181 Ca -0.39 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 3ip3 h GLY 181 CO -0.09 0.00 -0.05 1.19 0.00 0.00 0.00 176.54 177.59 3ip3 h ILE 182 N 0.00 0.90 -0.69 2.60 2.10 -1.55 -0.04 117.51 120.82 3ip3 h ILE 182 Ca -0.00 -0.18 0.09 0.00 1.08 0.00 0.00 64.86 65.86 3ip3 h ILE 182 Cb 0.64 1.10 -0.07 0.00 -1.09 0.00 0.00 36.82 37.39 3ip3 h ILE 182 CO 0.04 0.05 0.33 0.45 -1.08 0.00 0.00 178.15 177.94 3ip3 h HIS 183 N 0.00 0.59 0.09 2.19 3.86 -1.81 -0.58 115.15 119.49 3ip3 h HIS 183 Ca -0.00 0.03 -0.26 0.00 -1.16 0.00 0.00 60.37 58.98 3ip3 h HIS 183 Cb 0.09 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 3ip3 h HIS 183 CO 0.00 0.20 -1.17 0.00 0.86 0.00 0.00 177.93 177.82 3ip3 h ALA 184 N 1.43 0.17 -0.37 2.45 0.00 -1.24 -1.65 119.26 120.05 3ip3 h ALA 184 Ca 0.34 -0.88 0.05 0.00 0.00 0.00 0.00 54.91 54.42 3ip3 h ALA 184 Cb 0.38 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3ip3 h ALA 184 CO -0.28 1.03 0.09 0.82 0.00 0.00 0.00 179.25 180.92 3ip3 h ILE 185 N 0.06 0.84 -0.58 0.00 2.04 -1.08 0.61 117.51 119.39 3ip3 h ILE 185 Ca -0.10 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.70 3ip3 h ILE 185 Cb 1.91 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 3ip3 h ILE 185 CO 0.18 0.04 0.37 -0.78 0.00 0.00 0.00 178.15 177.97 3ip3 h ASP 186 N 0.22 0.63 -0.67 1.72 3.58 -0.97 -1.25 116.42 119.68 3ip3 h ASP 186 Ca 0.18 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.66 3ip3 h ASP 186 Cb 0.19 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.04 3ip3 h ASP 186 CO -0.21 0.45 0.40 -0.50 -2.88 0.00 0.00 179.24 176.50 3ip3 h TRP 187 N 0.76 0.74 -0.20 0.28 6.55 -0.43 -0.33 115.95 123.32 3ip3 h TRP 187 Ca 0.22 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 60.08 3ip3 h TRP 187 Cb -0.05 -0.23 -0.01 0.00 -0.86 0.00 0.00 29.16 28.01 3ip3 h TRP 187 CO -0.04 0.39 0.09 0.82 -1.05 0.00 0.00 178.44 178.65 3ip3 h ILE 188 N 0.76 1.14 0.18 1.49 2.04 -0.52 -0.11 117.51 122.49 3ip3 h ILE 188 Ca 0.29 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3ip3 h ILE 188 Cb 0.11 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3ip3 h ILE 188 CO -0.15 0.13 -0.10 -0.74 0.00 0.00 0.00 178.15 177.29 3ip3 h HIS 189 N 0.18 -0.27 -0.02 1.37 2.76 -0.94 -1.04 115.15 117.19 3ip3 h HIS 189 Ca 0.07 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3ip3 h HIS 189 Cb 0.13 0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.18 3ip3 h HIS 189 CO -0.02 -0.17 0.01 2.35 -1.30 0.00 0.00 177.93 178.80 3ip3 h TRP 190 N -0.27 0.02 -0.30 5.26 7.01 -1.03 -0.19 115.95 126.45 3ip3 h TRP 190 Ca -0.02 0.00 -0.18 0.00 2.11 0.00 0.00 58.89 60.81 3ip3 h TRP 190 Cb 0.22 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.28 3ip3 h TRP 190 CO -0.08 0.03 -0.50 0.82 -2.79 0.00 0.00 178.44 175.91 3ip3 h ILE 191 N 0.00 1.28 0.00 2.65 1.08 -0.96 -3.29 117.51 118.26 3ip3 h ILE 191 Ca 0.01 -1.69 -0.19 0.00 -0.39 0.00 0.00 64.86 62.60 3ip3 h ILE 191 Cb 0.02 1.61 -0.03 0.00 -3.07 0.00 0.00 36.82 35.35 3ip3 h ILE 191 CO -0.00 0.55 -1.14 0.71 -0.69 0.00 0.00 178.15 177.58 3ip3 h THR 192 N 0.65 0.98 -1.40 -0.27 1.35 -1.22 -3.46 112.91 109.54 3ip3 h THR 192 Ca 0.02 -2.58 -0.38 0.00 -0.55 0.00 0.00 66.41 62.92 3ip3 h THR 192 Cb 1.11 2.43 -0.13 0.00 -1.73 0.00 0.00 68.15 69.83 3ip3 h THR 192 CO 0.11 0.56 -0.36 0.61 -0.25 0.00 0.00 175.52 176.20 3ip3 n GLY 193 N 1.38 1.46 3.70 5.82 0.00 -0.09 -4.97 105.19 112.49 3ip3 n GLY 193 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.76 2.57 0.36 1.61 1.02 -1.26 -5.09 119.74 115.19 3ip3 s LYS 194 Ca 0.00 -0.88 -0.27 0.00 0.02 0.00 0.00 55.97 54.84 3ip3 s LYS 194 Cb 0.00 -2.53 -0.09 0.00 -0.52 0.00 0.00 37.83 34.69 3ip3 s LYS 194 CO 0.00 0.52 1.20 0.15 -0.92 0.00 0.00 175.35 176.30 3ip3 s LYS 195 N -2.50 4.25 0.07 1.68 1.02 -1.26 -4.85 119.74 118.15 3ip3 s LYS 195 Ca 0.27 1.96 -0.29 0.00 0.02 0.00 0.00 55.97 57.93 3ip3 s LYS 195 Cb -0.11 -2.89 -0.05 0.00 -0.52 0.00 0.00 37.83 34.25 3ip3 s LYS 195 CO 0.19 -0.19 0.91 -0.06 -0.92 0.00 0.00 175.35 175.28 3ip3 s PHE 196 N -1.28 3.76 -0.15 3.18 0.40 -1.26 -1.85 117.98 120.78 3ip3 s PHE 196 Ca 0.52 1.68 0.11 0.00 -0.60 0.00 0.00 56.93 58.65 3ip3 s PHE 196 Cb -0.34 -3.00 -0.17 0.00 0.51 0.00 0.00 43.02 40.02 3ip3 s PHE 196 CO 0.44 0.18 0.03 1.28 0.70 0.00 0.00 175.22 177.84 3ip3 n LEU 197 N 3.03 0.33 -3.48 -0.37 4.77 0.11 -4.67 117.00 116.72 3ip3 n LEU 197 Ca 0.02 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 3ip3 n LEU 197 Cb 0.50 0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.80 3ip3 n LEU 197 CO 0.50 0.40 0.53 -0.94 -1.33 0.00 0.00 177.39 176.55 3ip3 s SER 198 N -4.87 -0.51 -0.00 -1.43 1.04 -0.97 -0.71 113.70 106.25 3ip3 s SER 198 Ca -0.09 0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.52 3ip3 s SER 198 Cb 0.04 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3ip3 s SER 198 CO 0.57 -0.74 -0.02 0.54 0.98 0.00 0.00 173.24 174.57 3ip3 s VAL 199 N -2.82 0.15 -0.08 5.02 0.11 -0.46 -0.62 120.40 121.70 3ip3 s VAL 199 Ca -0.00 -0.07 0.04 0.00 -2.93 0.00 0.00 61.98 59.01 3ip3 s VAL 199 Cb -0.01 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.70 3ip3 s VAL 199 CO -0.06 0.05 -0.20 -0.47 -3.33 0.00 0.00 175.10 171.09 3ip3 s TYR 200 N 0.02 2.12 0.03 1.54 5.04 -0.21 -1.01 117.35 124.86 3ip3 s TYR 200 Ca 0.00 -0.78 -0.12 0.00 -2.44 0.00 0.00 57.07 53.72 3ip3 s TYR 200 Cb -0.02 -1.44 0.01 0.00 0.35 0.00 0.00 41.96 40.87 3ip3 s TYR 200 CO -0.00 -0.32 0.26 0.00 -1.34 0.00 0.00 175.55 174.15 3ip3 s ALA 201 N 0.32 -0.59 0.13 3.97 0.00 -1.26 0.34 121.76 124.67 3ip3 s ALA 201 Ca -0.14 -0.02 0.04 0.00 0.00 0.00 0.00 51.96 51.84 3ip3 s ALA 201 Cb -0.16 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 3ip3 s ALA 201 CO 0.06 -0.35 -0.10 0.95 0.00 0.00 0.00 175.76 176.32 3ip3 s THR 202 N -2.24 1.06 0.16 0.00 -4.23 -0.32 -2.69 115.64 107.38 3ip3 s THR 202 Ca -0.07 -1.93 -0.13 0.00 -1.18 0.00 0.00 61.69 58.38 3ip3 s THR 202 Cb -0.02 -1.70 0.01 0.00 1.34 0.00 0.00 72.50 72.13 3ip3 s THR 202 CO -0.02 -0.71 0.36 -1.38 -0.54 0.00 0.00 174.62 172.34 3ip3 s HIS 203 N -3.11 0.11 -0.05 3.99 -3.43 -1.26 -1.44 115.29 110.09 3ip3 s HIS 203 Ca 0.13 -0.47 -0.07 0.00 -0.80 0.00 0.00 55.06 53.85 3ip3 s HIS 203 Cb 0.01 0.13 0.01 0.00 -1.43 0.00 0.00 32.58 31.31 3ip3 s HIS 203 CO -0.00 -0.75 0.18 0.45 -2.00 0.00 0.00 174.74 172.62 3ip3 s SER 204 N -2.90 -0.13 0.00 7.38 0.15 -0.16 -4.99 113.70 113.05 3ip3 s SER 204 Ca 0.11 0.20 0.15 0.00 0.70 0.00 0.00 55.95 57.10 3ip3 s SER 204 Cb 0.02 0.34 0.21 0.00 -1.71 0.00 0.00 66.02 64.88 3ip3 s SER 204 CO -0.04 -0.18 1.09 -2.11 1.20 0.00 0.00 173.24 173.20 3ip3 n ARG 205 N 2.42 1.63 -1.67 5.44 1.85 -1.26 -0.36 116.66 124.70 3ip3 n ARG 205 Ca -0.16 -1.66 -0.43 0.00 -1.00 0.00 0.00 57.85 54.61 3ip3 n ARG 205 Cb 0.58 -1.31 -0.00 0.00 -1.05 0.00 0.00 32.46 30.67 3ip3 n ARG 205 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3ip3 n LEU 206 N 0.85 3.21 -3.77 2.89 4.77 -1.26 -2.89 117.00 120.79 3ip3 n LEU 206 Ca 0.11 1.17 -0.29 0.00 -0.03 0.00 0.00 56.01 56.97 3ip3 n LEU 206 Cb 0.41 -1.44 0.02 0.00 -2.33 0.00 0.00 43.42 40.08 3ip3 n LEU 206 CO 0.10 -0.77 -0.12 1.41 -1.33 0.00 0.00 177.39 176.68 3ip3 n HIS 207 N 0.16 -1.82 -0.61 -1.77 8.25 -1.26 -4.71 115.22 113.46 3ip3 n HIS 207 Ca 0.06 0.56 0.04 0.00 -0.26 0.00 0.00 57.72 58.12 3ip3 n HIS 207 Cb 0.36 -3.60 0.32 0.00 1.12 0.00 0.00 29.99 28.20 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 -2.79 4.87 -3.83 0.41 6.94 -1.14 -4.94 115.26 114.78 3ip3 n ASN 208 Ca -0.18 -2.83 -0.23 0.00 -0.02 0.00 0.00 54.58 51.32 3ip3 n ASN 208 Cb 0.63 -0.67 0.01 0.00 -2.36 0.00 0.00 39.78 37.38 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 0.40 -0.84 -2.59 0.53 7.64 -1.26 -1.60 113.62 115.90 3ip3 n SER 209 Ca 0.26 -0.91 -0.21 0.00 1.01 0.00 0.00 58.87 59.02 3ip3 n SER 209 Cb 1.09 -3.57 0.01 0.00 -1.01 0.00 0.00 64.21 60.72 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 -1.77 -0.48 1.78 0.23 0.00 -1.26 -4.90 105.19 98.79 3ip3 n GLY 210 Ca -0.30 0.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.22 2.03 0.00 1.61 8.25 -0.62 -5.03 115.22 117.24 3ip3 n HIS 211 Ca -0.19 -1.08 0.00 0.00 -0.26 0.00 0.00 57.72 56.19 3ip3 n HIS 211 Cb 0.66 -0.62 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.18 3.56 0.35 -1.41 0.00 -1.26 -2.36 105.19 103.89 3ip3 n GLY 212 Ca 0.35 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.61 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 11.22 1.44 -1.96 1.61 1.02 0.77 -4.92 120.64 129.82 3ip3 n GLU 213 Ca 0.00 -0.70 -0.42 0.00 -0.02 0.00 0.00 57.16 56.02 3ip3 n GLU 213 Cb 0.00 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 29.91 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 -2.04 4.37 0.04 -4.62 0.20 -1.00 -4.80 118.68 110.82 3ip3 s LEU 214 Ca 0.39 2.52 -0.30 0.00 0.69 0.00 0.00 54.13 57.43 3ip3 s LEU 214 Cb 0.21 -3.58 -0.04 0.00 -0.43 0.00 0.00 46.19 42.35 3ip3 s LEU 214 CO 0.36 -0.83 1.06 -1.61 -0.29 0.00 0.00 176.35 175.03 3ip3 s GLU 215 N 1.79 4.53 -0.01 1.98 8.01 -1.26 -4.57 118.70 129.17 3ip3 s GLU 215 Ca 0.71 1.55 0.14 0.00 0.01 0.00 0.00 54.97 57.38 3ip3 s GLU 215 Cb -0.41 -3.41 -0.20 0.00 -4.31 0.00 0.00 34.13 25.80 3ip3 s GLU 215 CO 0.31 -0.09 0.73 1.79 0.01 0.00 0.00 175.26 178.02 3ip3 h THR 216 N 4.59 0.78 -4.00 3.63 1.35 -0.97 -3.43 112.91 114.86 3ip3 h THR 216 Ca -0.41 -2.53 -0.41 0.00 -0.55 0.00 0.00 66.41 62.50 3ip3 h THR 216 Cb 1.22 2.33 -0.24 0.00 -1.73 0.00 0.00 68.15 69.73 3ip3 h THR 216 CO 0.77 0.45 -0.78 0.42 -0.25 0.00 0.00 175.52 176.12 3ip3 s THR 217 N -2.69 1.01 -0.00 6.82 -4.23 -1.08 -0.10 115.64 115.36 3ip3 s THR 217 Ca -0.04 -1.04 -0.16 0.00 -1.18 0.00 0.00 61.69 59.27 3ip3 s THR 217 Cb 0.08 -0.94 0.03 0.00 1.34 0.00 0.00 72.50 73.00 3ip3 s THR 217 CO 0.82 -0.09 0.33 0.00 -0.54 0.00 0.00 174.62 175.15 3ip3 s ALA 218 N -0.97 -0.82 -0.05 3.99 0.00 0.24 -0.99 121.76 123.17 3ip3 s ALA 218 Ca -0.01 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.26 3ip3 s ALA 218 Cb -0.08 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.20 3ip3 s ALA 218 CO 0.01 -0.31 -0.02 -1.17 0.00 0.00 0.00 175.76 174.27 3ip3 s LEU 219 N -1.52 1.11 -0.01 0.00 2.96 -0.52 -0.26 118.68 120.43 3ip3 s LEU 219 Ca -0.11 -0.09 0.07 0.00 -0.22 0.00 0.00 54.13 53.78 3ip3 s LEU 219 Cb -0.04 -0.39 -0.02 0.00 0.50 0.00 0.00 46.19 46.25 3ip3 s LEU 219 CO 0.03 -0.10 -0.22 0.00 -1.32 0.00 0.00 176.35 174.74 3ip3 s HIS 221 N -0.52 2.14 -0.08 0.00 2.46 0.15 -1.44 115.29 118.00 3ip3 s HIS 221 Ca 0.08 -1.51 -0.01 0.00 0.47 0.00 0.00 55.06 54.09 3ip3 s HIS 221 Cb -0.08 -1.49 -0.03 0.00 -0.13 0.00 0.00 32.58 30.84 3ip3 s HIS 221 CO -0.01 -0.72 -0.00 -0.06 -2.47 0.00 0.00 174.74 171.48 3ip3 s PHE 222 N 1.48 3.14 -0.16 3.88 0.08 0.15 -1.05 117.98 125.50 3ip3 s PHE 222 Ca -0.03 0.18 -0.04 0.00 0.12 0.00 0.00 56.93 57.15 3ip3 s PHE 222 Cb -0.17 -1.78 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 3ip3 s PHE 222 CO -0.07 0.46 -0.02 0.99 -0.10 0.00 0.00 175.22 176.48 3ip3 s THR 223 N -0.89 4.01 0.48 0.64 2.01 0.21 -1.54 115.64 120.57 3ip3 s THR 223 Ca 0.13 -0.31 0.06 0.00 0.31 0.00 0.00 61.69 61.88 3ip3 s THR 223 Cb -0.11 -2.77 -0.00 0.00 0.01 0.00 0.00 72.50 69.63 3ip3 s THR 223 CO 0.03 0.49 0.30 -0.76 -0.69 0.00 0.00 174.62 173.98 3ip3 s LEU 224 N 0.39 2.88 0.64 4.42 1.02 0.27 0.04 118.68 128.33 3ip3 s LEU 224 Ca -0.03 -1.17 -0.18 0.00 0.02 0.00 0.00 54.13 52.78 3ip3 s LEU 224 Cb -0.14 -1.34 -0.03 0.00 0.02 0.00 0.00 46.19 44.70 3ip3 s LEU 224 CO 0.03 -0.85 0.96 -0.62 0.02 0.00 0.00 176.35 175.89 3ip3 n GLU 225 N -1.53 0.79 -2.43 1.70 1.02 -0.77 -2.99 120.64 116.44 3ip3 n GLU 225 Ca -0.02 0.32 -0.16 0.00 -0.02 0.00 0.00 57.16 57.27 3ip3 n GLU 225 Cb 0.64 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 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 -1.02 -4.89 -2.73 1.62 5.15 -1.26 -2.82 115.26 109.31 3ip3 n ASN 226 Ca 0.14 -0.06 -0.20 0.00 -0.60 0.00 0.00 54.58 53.86 3ip3 n ASN 226 Cb 0.48 -3.95 0.01 0.00 -0.53 0.00 0.00 39.78 35.79 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 -2.72 -3.08 -2.93 1.20 1.02 -1.16 -4.96 120.64 108.02 3ip3 n GLU 227 Ca -0.17 0.84 -0.41 0.00 -0.02 0.00 0.00 57.16 57.40 3ip3 n GLU 227 Cb 0.64 -5.56 -0.04 0.00 -0.02 0.00 0.00 31.44 26.45 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 -2.99 4.98 -0.00 2.62 1.01 -1.13 -4.96 120.40 119.93 3ip3 s VAL 228 Ca 0.15 1.66 0.02 0.00 0.00 0.00 0.00 61.98 63.80 3ip3 s VAL 228 Cb -0.07 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 3ip3 s VAL 228 CO 0.18 0.21 -0.02 -0.36 0.00 0.00 0.00 175.10 175.12 3ip3 s PHE 229 N 0.91 3.02 -0.04 5.22 0.08 -1.16 -0.56 117.98 125.45 3ip3 s PHE 229 Ca 0.42 0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.54 3ip3 s PHE 229 Cb -0.19 -1.66 0.01 0.00 -0.57 0.00 0.00 43.02 40.62 3ip3 s PHE 229 CO 0.21 0.44 -0.07 0.00 -0.10 0.00 0.00 175.22 175.70 3ip3 s ALA 230 N -1.05 0.79 0.14 5.36 0.00 -0.59 -1.00 121.76 125.41 3ip3 s ALA 230 Ca 0.19 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.00 3ip3 s ALA 230 Cb -0.11 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 3ip3 s ALA 230 CO 0.09 0.06 0.11 -1.54 0.00 0.00 0.00 175.76 174.48 3ip3 s SER 231 N 0.58 5.46 -0.20 0.00 1.04 0.57 -0.68 113.70 120.47 3ip3 s SER 231 Ca -0.09 -0.12 -0.04 0.00 0.48 0.00 0.00 55.95 56.18 3ip3 s SER 231 Cb -0.12 -1.42 0.09 0.00 0.10 0.00 0.00 66.02 64.68 3ip3 s SER 231 CO 0.01 0.10 0.23 -0.22 0.98 0.00 0.00 173.24 174.33 3ip3 s LEU 232 N -2.90 -0.13 -0.22 2.42 2.96 -0.52 -1.13 118.68 119.16 3ip3 s LEU 232 Ca 0.30 -0.20 -0.10 0.00 -0.22 0.00 0.00 54.13 53.91 3ip3 s LEU 232 Cb -0.11 0.41 -0.05 0.00 0.50 0.00 0.00 46.19 46.95 3ip3 s LEU 232 CO 0.23 -0.33 0.14 -0.55 -1.32 0.00 0.00 176.35 174.52 3ip3 s SER 233 N 2.33 6.08 -0.07 3.68 0.15 -0.68 -0.54 113.70 124.65 3ip3 s SER 233 Ca 0.07 0.13 0.02 0.00 0.70 0.00 0.00 55.95 56.88 3ip3 s SER 233 Cb -0.16 -2.08 0.01 0.00 -1.71 0.00 0.00 66.02 62.08 3ip3 s SER 233 CO -0.12 0.10 -0.13 -0.63 1.20 0.00 0.00 173.24 173.66 3ip3 s ILE 234 N 0.81 1.21 -0.00 6.45 1.01 0.64 -0.99 121.20 130.34 3ip3 s ILE 234 Ca 0.07 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.16 3ip3 s ILE 234 Cb -0.13 -1.11 -0.00 0.00 0.01 0.00 0.00 42.46 41.23 3ip3 s ILE 234 CO 0.02 0.37 0.09 1.51 0.00 0.00 0.00 174.94 176.94 3ip3 s ASP 235 N 0.73 0.05 -0.64 3.58 -4.77 -0.27 -0.59 116.67 114.76 3ip3 s ASP 235 Ca -0.13 -0.21 -0.01 0.00 -3.30 0.00 0.00 52.55 48.90 3ip3 s ASP 235 Cb -0.16 0.19 0.44 0.00 -1.09 0.00 0.00 42.92 42.30 3ip3 s ASP 235 CO 0.03 -0.30 1.92 -1.22 0.70 0.00 0.00 175.17 176.30 3ip3 n TYR 236 N 1.74 3.15 -1.43 2.11 0.53 0.85 -1.74 117.16 122.37 3ip3 n TYR 236 Ca -0.21 -2.85 0.07 0.00 -1.02 0.00 0.00 57.90 53.89 3ip3 n TYR 236 Cb 0.56 -1.26 0.12 0.00 -1.03 0.00 0.00 39.34 37.73 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 -0.84 1.95 -4.66 7.72 4.77 -1.17 -4.11 117.00 120.66 3ip3 n LEU 237 Ca 0.59 -2.84 -0.42 0.00 -0.03 0.00 0.00 56.01 53.30 3ip3 n LEU 237 Cb 0.64 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3ip3 n LEU 237 CO 0.71 0.77 1.37 -0.60 -1.33 0.00 0.00 177.39 178.30 3ip3 s ARG 238 N -2.29 4.19 0.31 3.23 3.52 -0.96 -4.93 118.95 122.02 3ip3 s ARG 238 Ca 0.28 2.23 -0.29 0.00 -0.13 0.00 0.00 55.73 57.82 3ip3 s ARG 238 Cb 0.26 -3.93 -0.12 0.00 -1.56 0.00 0.00 34.95 29.60 3ip3 s ARG 238 CO -0.01 -0.83 1.49 -2.30 -0.81 0.00 0.00 175.30 172.85 3ip3 n PRO 239 N 6.89 2.50 -0.39 5.12 -0.02 -1.26 -4.25 135.00 143.58 3ip3 n PRO 239 Ca 0.17 0.89 0.32 0.00 -2.02 0.00 0.00 63.50 62.86 3ip3 n PRO 239 Cb 0.42 -2.60 0.62 0.00 -0.02 0.00 0.00 33.50 31.92 3ip3 n PRO 239 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3ip3 h GLN 240 N 3.86 0.18 0.00 -0.52 1.08 -1.97 0.63 115.11 118.37 3ip3 h GLN 240 Ca -0.48 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 3ip3 h GLN 240 Cb 1.25 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 3ip3 h GLN 240 CO 0.72 0.12 0.00 0.41 -0.95 0.00 0.00 178.83 179.13 3ip3 n GLY 241 N -1.57 -0.99 3.73 3.46 0.00 -1.26 -4.86 105.19 103.70 3ip3 n GLY 241 Ca 0.31 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3ip3 n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ip3 s ALA 242 N -2.30 2.23 -0.38 4.61 0.00 0.21 -4.96 121.76 121.17 3ip3 s ALA 242 Ca 0.32 0.87 0.22 0.00 0.00 0.00 0.00 51.96 53.37 3ip3 s ALA 242 Cb 0.18 -3.45 0.32 0.00 0.00 0.00 0.00 23.12 20.16 3ip3 s ALA 242 CO 0.35 -1.70 1.59 -1.00 0.00 0.00 0.00 175.76 175.00 3ip3 h PRO 243 N -0.06 0.00 -5.23 0.00 0.13 -1.89 -3.45 132.00 121.50 3ip3 h PRO 243 Ca -0.48 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.25 3ip3 h PRO 243 Cb 1.29 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.28 3ip3 h PRO 243 CO 0.51 0.09 -0.68 0.95 -0.23 0.00 0.00 178.00 178.64 3ip3 s THR 244 N -3.18 1.27 -0.87 1.56 -4.23 -1.26 -5.05 115.64 103.88 3ip3 s THR 244 Ca 0.06 -2.08 0.27 0.00 -1.18 0.00 0.00 61.69 58.77 3ip3 s THR 244 Cb 0.06 -2.22 0.26 0.00 1.34 0.00 0.00 72.50 71.93 3ip3 s THR 244 CO 0.68 -0.44 1.85 0.00 -0.54 0.00 0.00 174.62 176.17 3ip3 n HIS 245 N -0.40 0.44 -3.95 3.99 1.44 -1.26 -4.86 115.22 110.62 3ip3 n HIS 245 Ca -0.07 0.13 -0.09 0.00 -2.01 0.00 0.00 57.72 55.68 3ip3 n HIS 245 Cb 0.63 -0.71 -0.10 0.00 0.12 0.00 0.00 29.99 29.93 3ip3 n HIS 245 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 3ip3 s ASP 246 N -3.72 0.21 -0.44 4.39 -4.77 -1.26 -1.18 116.67 109.90 3ip3 s ASP 246 Ca 0.12 -0.55 0.06 0.00 -3.30 0.00 0.00 52.55 48.88 3ip3 s ASP 246 Cb 0.16 0.20 0.20 0.00 -1.09 0.00 0.00 42.92 42.39 3ip3 s ASP 246 CO 0.55 -0.48 0.52 -0.67 0.70 0.00 0.00 175.17 175.79 3ip3 n ASP 247 N 0.87 -1.22 -4.72 2.11 2.03 -0.66 -5.02 116.55 109.94 3ip3 n ASP 247 Ca -0.19 -2.65 -0.42 0.00 0.52 0.00 0.00 54.79 52.05 3ip3 n ASP 247 Cb 0.58 0.15 -0.03 0.00 -0.72 0.00 0.00 41.12 41.10 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 -0.22 7.20 0.25 1.67 1.01 -1.26 -3.66 116.67 121.66 3ip3 s ASP 248 Ca 0.33 2.00 0.04 0.00 0.71 0.00 0.00 52.55 55.63 3ip3 s ASP 248 Cb 0.08 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 3ip3 s ASP 248 CO -0.15 -0.33 0.24 0.54 0.21 0.00 0.00 175.17 175.68 3ip3 n ARG 249 N 3.26 0.35 -3.42 8.23 1.74 -0.97 -4.32 116.66 121.54 3ip3 n ARG 249 Ca 0.06 -2.43 0.02 0.00 -0.77 0.00 0.00 57.85 54.73 3ip3 n ARG 249 Cb 0.47 2.05 -0.05 0.00 -1.02 0.00 0.00 32.46 33.91 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 -2.93 0.16 -0.26 5.56 3.52 0.35 -0.72 118.95 124.62 3ip3 s ARG 251 Ca 0.28 0.34 -0.01 0.00 -0.13 0.00 0.00 55.73 56.22 3ip3 s ARG 251 Cb 0.01 0.15 0.04 0.00 -1.56 0.00 0.00 34.95 33.58 3ip3 s ARG 251 CO 0.20 -0.05 -0.06 0.42 -0.81 0.00 0.00 175.30 175.01 3ip3 s ILE 252 N 1.81 2.77 -0.26 4.11 1.01 0.93 -0.89 121.20 130.67 3ip3 s ILE 252 Ca -0.04 -1.19 -0.09 0.00 0.00 0.00 0.00 60.65 59.33 3ip3 s ILE 252 Cb -0.03 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 3ip3 s ILE 252 CO -0.15 0.11 0.12 -0.69 0.00 0.00 0.00 174.94 174.33 3ip3 s VAL 253 N 1.27 4.78 0.52 2.92 1.01 0.56 -1.38 120.40 130.09 3ip3 s VAL 253 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3ip3 s VAL 253 Cb -0.18 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.96 3ip3 s VAL 253 CO -0.04 0.31 0.02 0.61 0.00 0.00 0.00 175.10 176.00 3ip3 n GLY 254 N 4.89 3.51 0.27 4.51 0.00 0.26 -0.52 105.19 118.12 3ip3 n GLY 254 Ca -0.15 -2.37 0.16 0.00 0.00 0.00 0.00 46.02 43.65 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 1.24 0.24 0.00 2.61 1.35 0.05 -3.26 112.91 115.13 3ip3 h THR 255 Ca -0.43 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 3ip3 h THR 255 Cb 1.30 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 3ip3 h THR 255 CO 0.71 0.07 0.00 0.54 -0.25 0.00 0.00 175.52 176.59 3ip3 n ARG 256 N -3.27 3.52 -3.93 4.72 1.74 0.06 -4.96 116.66 114.55 3ip3 n ARG 256 Ca -0.01 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 3ip3 n ARG 256 Cb 0.28 -0.62 0.01 0.00 -1.02 0.00 0.00 32.46 31.11 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 -0.55 -0.05 -0.06 -0.13 0.00 -1.08 -4.35 107.32 101.11 3ip3 s GLY 257 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.65 3ip3 s GLY 257 CO 0.00 4.07 -0.04 -0.42 0.00 0.00 0.00 173.10 176.72 3ip3 s ILE 258 N -2.11 0.53 -0.14 0.90 1.01 -0.05 -0.57 121.20 120.77 3ip3 s ILE 258 Ca 0.26 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.80 3ip3 s ILE 258 Cb -0.01 -0.59 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 3ip3 s ILE 258 CO 0.01 0.24 -0.04 -0.69 0.00 0.00 0.00 174.94 174.47 3ip3 s VAL 259 N 1.24 3.90 -0.04 2.92 1.01 -0.48 -0.98 120.40 127.96 3ip3 s VAL 259 Ca -0.06 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.60 3ip3 s VAL 259 Cb -0.14 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 3ip3 s VAL 259 CO -0.02 0.51 -0.19 -1.61 0.00 0.00 0.00 175.10 173.80 3ip3 s GLU 260 N 0.15 1.89 -0.23 2.72 2.02 -0.31 -0.05 118.70 124.89 3ip3 s GLU 260 Ca -0.01 -0.66 -0.06 0.00 0.02 0.00 0.00 54.97 54.25 3ip3 s GLU 260 Cb -0.14 -1.65 -0.03 0.00 0.10 0.00 0.00 34.13 32.42 3ip3 s GLU 260 CO 0.03 0.28 0.04 0.08 0.02 0.00 0.00 175.26 175.71 3ip3 s VAL 261 N -0.03 4.13 -0.22 2.63 1.01 -1.26 -1.36 120.40 125.30 3ip3 s VAL 261 Ca -0.03 -0.24 -0.19 0.00 0.00 0.00 0.00 61.98 61.52 3ip3 s VAL 261 Cb -0.12 -2.91 0.06 0.00 0.00 0.00 0.00 36.38 33.41 3ip3 s VAL 261 CO 0.02 0.37 0.58 -0.51 0.00 0.00 0.00 175.10 175.56 3ip3 s ILE 262 N 1.43 -0.00 -1.60 2.22 2.07 -0.35 -4.37 121.20 120.60 3ip3 s ILE 262 Ca 0.05 0.01 -0.12 0.00 -1.41 0.00 0.00 60.65 59.18 3ip3 s ILE 262 Cb -0.15 -0.81 0.10 0.00 0.13 0.00 0.00 42.46 41.73 3ip3 s ILE 262 CO 0.02 0.00 0.69 0.59 -1.91 0.00 0.00 174.94 174.34 3ip3 n ASN 263 N 3.02 -2.55 -1.60 4.50 4.13 -1.26 -0.74 115.26 120.75 3ip3 n ASN 263 Ca -0.15 -0.99 -0.20 0.00 1.68 0.00 0.00 54.58 54.92 3ip3 n ASN 263 Cb 0.56 -2.97 -0.08 0.00 -1.54 0.00 0.00 39.78 35.75 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 -4.43 -1.41 -4.44 3.52 1.02 -1.26 -4.97 120.64 108.67 3ip3 n GLU 264 Ca -0.05 1.19 -0.22 0.00 -0.02 0.00 0.00 57.16 58.07 3ip3 n GLU 264 Cb 0.56 -5.56 -0.10 0.00 -0.02 0.00 0.00 31.44 26.31 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 -3.80 1.57 -0.06 3.49 0.52 0.08 -4.60 118.95 116.15 3ip3 s ARG 265 Ca 0.00 -1.78 0.04 0.00 -0.52 0.00 0.00 55.73 53.46 3ip3 s ARG 265 Cb 0.00 -1.26 0.00 0.00 0.52 0.00 0.00 34.95 34.21 3ip3 s ARG 265 CO 0.00 0.09 -0.16 0.08 0.02 0.00 0.00 175.30 175.33 3ip3 s VAL 266 N -2.93 1.38 0.03 3.52 1.01 -1.26 -1.21 120.40 120.94 3ip3 s VAL 266 Ca 0.29 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.68 3ip3 s VAL 266 Cb 0.02 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 3ip3 s VAL 266 CO 0.12 0.40 -0.20 -0.36 0.00 0.00 0.00 175.10 175.07 3ip3 s PHE 267 N 0.28 1.72 -0.02 5.22 0.40 -0.46 -0.29 117.98 124.82 3ip3 s PHE 267 Ca -0.09 -0.36 0.05 0.00 -0.60 0.00 0.00 56.93 55.93 3ip3 s PHE 267 Cb -0.13 -1.05 -0.01 0.00 0.51 0.00 0.00 43.02 42.34 3ip3 s PHE 267 CO 0.03 0.05 -0.17 -1.17 0.70 0.00 0.00 175.22 174.67 3ip3 s LEU 268 N -0.97 1.98 -0.10 -0.37 2.96 -0.09 -1.16 118.68 120.92 3ip3 s LEU 268 Ca 0.07 -0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 53.66 3ip3 s LEU 268 Cb -0.08 -0.89 0.02 0.00 0.50 0.00 0.00 46.19 45.74 3ip3 s LEU 268 CO 0.01 0.18 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.27 3ip3 s THR 269 N -0.21 0.92 0.00 3.68 2.01 -0.16 -1.32 115.64 120.56 3ip3 s THR 269 Ca 0.02 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 61.80 3ip3 s THR 269 Cb -0.08 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.47 3ip3 s THR 269 CO 0.00 0.35 0.00 -0.90 -0.69 0.00 0.00 174.62 173.38 3ip3 n ASP 270 N 4.92 0.00 -0.61 3.53 5.68 -0.70 -0.88 116.55 128.50 3ip3 n ASP 270 Ca -0.12 -0.57 0.48 0.00 -0.50 0.00 0.00 54.79 54.08 3ip3 n ASP 270 Cb 0.50 0.00 0.77 0.00 -1.14 0.00 0.00 41.12 41.25 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 0.01 -0.02 0.11 4.11 -1.98 0.09 114.58 116.90 3ip3 h GLU 271 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3ip3 h GLU 271 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ip3 h GLU 271 CO 0.00 0.00 -0.05 1.63 0.07 0.00 0.00 179.01 180.67 3ip3 n LYS 272 N -4.26 1.60 0.00 1.06 5.02 -1.26 -5.05 118.16 115.28 3ip3 n LYS 272 Ca 0.43 -0.99 0.00 0.00 -2.02 0.00 0.00 58.31 55.72 3ip3 n LYS 272 Cb 1.83 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 35.36 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 1.22 -0.53 3.65 0.72 0.00 0.02 -4.99 105.19 105.28 3ip3 n GLY 273 Ca 0.17 -2.20 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 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 3.20 0.12 1.61 2.46 -1.26 -1.72 115.29 119.70 3ip3 s HIS 274 Ca 0.00 0.09 -0.16 0.00 0.47 0.00 0.00 55.06 55.46 3ip3 s HIS 274 Cb 0.00 -1.92 0.03 0.00 -0.13 0.00 0.00 32.58 30.56 3ip3 s HIS 274 CO 0.00 0.30 0.40 -0.98 -2.47 0.00 0.00 174.74 171.99 3ip3 s ARG 275 N -0.28 1.06 0.40 2.88 3.03 -0.44 -5.02 118.95 120.60 3ip3 s ARG 275 Ca 0.07 -0.70 -0.24 0.00 2.03 0.00 0.00 55.73 56.89 3ip3 s ARG 275 Cb -0.12 0.47 -0.09 0.00 -1.03 0.00 0.00 34.95 34.18 3ip3 s ARG 275 CO 0.02 -0.41 1.05 -2.00 -1.13 0.00 0.00 175.30 172.83 3ip3 s GLU 276 N -3.78 4.15 -0.12 3.89 2.12 -1.26 -0.92 118.70 122.78 3ip3 s GLU 276 Ca 0.03 1.52 -0.00 0.00 0.36 0.00 0.00 54.97 56.87 3ip3 s GLU 276 Cb 0.02 -2.53 -0.02 0.00 0.26 0.00 0.00 34.13 31.86 3ip3 s GLU 276 CO -0.12 -0.16 -0.11 0.08 -0.54 0.00 0.00 175.26 174.41 3ip3 s VAL 277 N -1.66 3.26 0.48 3.70 1.01 0.60 -4.89 120.40 122.89 3ip3 s VAL 277 Ca 0.58 -0.60 -0.24 0.00 0.00 0.00 0.00 61.98 61.73 3ip3 s VAL 277 Cb -0.22 -2.37 -0.07 0.00 0.00 0.00 0.00 36.38 33.72 3ip3 s VAL 277 CO 0.28 0.53 1.32 -2.16 0.00 0.00 0.00 175.10 175.07 3ip3 s PRO 278 N 0.17 3.56 0.14 2.72 0.04 -1.26 -4.49 135.00 135.88 3ip3 s PRO 278 Ca -0.06 2.17 -0.11 0.00 0.04 0.00 0.00 61.00 63.04 3ip3 s PRO 278 Cb -0.15 -2.49 -0.07 0.00 0.04 0.00 0.00 34.50 31.84 3ip3 s PRO 278 CO 0.04 -0.83 0.49 -0.51 0.04 0.00 0.00 177.00 176.24 3ip3 s LEU 279 N -3.01 4.30 0.91 -3.56 1.43 -1.26 -5.04 118.68 112.46 3ip3 s LEU 279 Ca 0.64 0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 54.54 3ip3 s LEU 279 Cb -0.38 -3.28 0.14 0.00 0.03 0.00 0.00 46.19 42.70 3ip3 s LEU 279 CO 0.47 0.08 1.12 0.68 0.23 0.00 0.00 176.35 178.93 3ip3 s VAL 280 N -1.54 2.18 0.44 -1.59 -7.23 -1.26 -5.01 120.40 106.40 3ip3 s VAL 280 Ca 0.39 0.06 -0.24 0.00 -1.81 0.00 0.00 61.98 60.37 3ip3 s VAL 280 Cb -0.14 -2.74 -0.08 0.00 0.56 0.00 0.00 36.38 33.98 3ip3 s VAL 280 CO 0.20 -0.08 1.25 -0.70 -0.31 0.00 0.00 175.10 175.46 3ip3 s GLU 281 N -5.19 3.77 0.75 4.82 2.12 -1.26 -4.64 118.70 119.08 3ip3 s GLU 281 Ca 0.64 2.01 -0.15 0.00 0.36 0.00 0.00 54.97 57.83 3ip3 s GLU 281 Cb -0.16 -2.56 0.03 0.00 0.26 0.00 0.00 34.13 31.71 3ip3 s GLU 281 CO 0.54 -0.61 1.02 0.36 -0.54 0.00 0.00 175.26 176.03 3ip3 n LYS 282 N -0.26 0.40 -1.04 4.30 2.85 -1.26 -4.75 118.16 118.40 3ip3 n LYS 282 Ca 0.06 0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.52 3ip3 n LYS 282 Cb 0.46 -2.27 0.00 0.00 -0.65 0.00 0.00 35.03 32.56 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 0.96 2.69 3.44 2.58 0.00 -0.16 -5.00 105.19 109.71 3ip3 n GLY 283 Ca 0.13 -2.13 -0.06 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.22 0.47 0.24 1.61 -0.44 -1.26 -4.75 119.66 114.31 3ip3 s GLN 284 Ca 0.00 1.17 -0.06 0.00 -2.50 0.00 0.00 55.36 53.97 3ip3 s GLN 284 Cb 0.00 0.45 0.28 0.00 -1.64 0.00 0.00 33.01 32.10 3ip3 s GLN 284 CO 0.00 -0.21 1.90 0.97 0.50 0.00 0.00 175.29 178.45 3ip3 h ILE 285 N 5.88 1.18 -0.13 -2.34 2.10 -1.89 -2.34 117.51 119.97 3ip3 h ILE 285 Ca -0.21 -0.41 -0.22 0.00 1.08 0.00 0.00 64.86 65.10 3ip3 h ILE 285 Cb 1.13 -0.13 0.01 0.00 -1.09 0.00 0.00 36.82 36.74 3ip3 h ILE 285 CO 0.14 0.22 -0.78 0.15 -1.08 0.00 0.00 178.15 176.80 3ip3 h PHE 286 N 1.20 0.96 -0.56 2.19 3.57 -1.92 -0.27 116.94 122.10 3ip3 h PHE 286 Ca 0.37 -0.43 0.10 0.00 3.53 0.00 0.00 57.97 61.54 3ip3 h PHE 286 Cb -0.03 -0.15 -0.08 0.00 2.79 0.00 0.00 35.95 38.49 3ip3 h PHE 286 CO -0.01 1.25 0.13 0.93 -2.23 0.00 0.00 178.31 178.37 3ip3 h GLU 287 N 0.48 0.26 -0.80 1.11 5.08 -1.70 0.15 114.58 119.16 3ip3 h GLU 287 Ca -0.05 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3ip3 h GLU 287 Cb 1.40 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.55 3ip3 h GLU 287 CO 0.16 0.17 0.49 0.22 -1.00 0.00 0.00 179.01 179.04 3ip3 h ASP 288 N 0.27 0.96 -0.68 1.42 3.58 -1.09 -1.09 116.42 119.79 3ip3 h ASP 288 Ca 0.29 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 3ip3 h ASP 288 Cb 0.40 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 3ip3 h ASP 288 CO -0.36 0.74 0.41 0.15 -2.88 0.00 0.00 179.24 177.30 3ip3 h PHE 289 N 1.10 0.91 -0.52 0.28 3.04 -0.09 -2.79 116.94 118.87 3ip3 h PHE 289 Ca 0.29 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 62.14 3ip3 h PHE 289 Cb -0.05 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 38.15 3ip3 h PHE 289 CO -0.01 0.62 -0.03 -0.07 -2.02 0.00 0.00 178.31 176.80 3ip3 h LEU 290 N 0.93 0.93 -1.48 0.59 3.38 -0.07 -1.97 115.31 117.62 3ip3 h LEU 290 Ca 0.24 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3ip3 h LEU 290 Cb -0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3ip3 h LEU 290 CO -0.05 1.03 0.38 0.03 0.09 0.00 0.00 178.44 179.93 3ip3 h ARG 291 N 0.81 0.67 -0.09 1.13 3.08 -1.09 -1.06 114.38 117.83 3ip3 h ARG 291 Ca 0.14 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3ip3 h ARG 291 Cb 0.57 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 3ip3 h ARG 291 CO 0.03 0.44 -0.01 1.49 -1.07 0.00 0.00 179.97 180.86 3ip3 h GLU 292 N 0.69 0.16 -0.45 0.04 4.57 -1.11 0.32 114.58 118.80 3ip3 h GLU 292 Ca 0.23 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.34 3ip3 h GLU 292 Cb 0.06 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 3ip3 h GLU 292 CO -0.06 0.44 0.22 0.82 -1.18 0.00 0.00 179.01 179.25 3ip3 h ILE 293 N -0.13 1.15 -0.19 2.32 1.08 -1.12 -2.69 117.51 117.93 3ip3 h ILE 293 Ca 0.02 -0.44 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 3ip3 h ILE 293 Cb 0.38 0.58 0.00 0.00 -3.07 0.00 0.00 36.82 34.70 3ip3 h ILE 293 CO 0.01 0.18 0.00 0.54 -0.69 0.00 0.00 178.15 178.18 3ip3 n ARG 294 N -4.39 1.66 -1.51 2.37 1.74 -0.43 -4.91 116.66 111.19 3ip3 n ARG 294 Ca 0.03 -1.01 -0.18 0.00 -0.77 0.00 0.00 57.85 55.93 3ip3 n ARG 294 Cb 0.12 -1.34 -0.08 0.00 -1.02 0.00 0.00 32.46 30.14 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 1.06 1.74 0.10 -0.13 0.00 -0.91 -4.90 105.19 102.15 3ip3 n GLY 295 Ca 0.14 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.13 3ip3 n GLY 295 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ip3 n GLN 296 N -2.44 0.41 0.00 1.61 6.02 0.11 -5.01 117.38 118.08 3ip3 n GLN 296 Ca -0.18 -0.21 0.00 0.00 -0.01 0.00 0.00 57.00 56.61 3ip3 n GLN 296 Cb 0.59 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.35 3ip3 n GLN 296 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ip3 n GLY 297 N 1.40 -0.29 3.84 1.08 0.00 -1.12 -4.95 105.19 105.15 3ip3 n GLY 297 Ca 0.10 -1.10 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 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 3.55 0.00 1.61 -0.14 -1.26 -3.40 119.74 118.10 3ip3 s LYS 298 Ca 0.00 -0.17 0.00 0.00 -1.36 0.00 0.00 55.97 54.44 3ip3 s LYS 298 Cb 0.00 -3.21 0.00 0.00 -1.68 0.00 0.00 37.83 32.94 3ip3 s LYS 298 CO 0.00 0.68 0.00 0.00 -0.76 0.00 0.00 175.35 175.27 3ip3 n VAL 301 N -0.69 0.00 -3.24 0.00 0.31 -1.26 -4.96 118.33 108.48 3ip3 n VAL 301 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 3ip3 n VAL 301 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 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 5.07 0.28 2.52 -4.23 -1.26 -4.80 115.64 113.22 3ip3 s THR 302 Ca 0.00 -0.32 0.01 0.00 -1.18 0.00 0.00 61.69 60.20 3ip3 s THR 302 Cb 0.00 -3.86 0.28 0.00 1.34 0.00 0.00 72.50 70.27 3ip3 s THR 302 CO 0.00 -0.60 1.84 -0.65 -0.54 0.00 0.00 174.62 174.66 3ip3 h PRO 303 N 0.69 0.98 -0.28 3.99 0.11 -1.93 -0.16 132.00 135.39 3ip3 h PRO 303 Ca -0.49 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.52 3ip3 h PRO 303 Cb 1.21 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3ip3 h PRO 303 CO 0.62 0.65 0.00 0.93 -0.21 0.00 0.00 178.00 179.99 3ip3 h GLU 304 N 1.01 0.50 -0.51 1.05 3.07 -1.93 -1.02 114.58 116.74 3ip3 h GLU 304 Ca 0.49 -0.16 0.10 0.00 -0.50 0.00 0.00 59.36 59.30 3ip3 h GLU 304 Cb 0.47 -0.05 -0.08 0.00 -0.84 0.00 0.00 28.75 28.25 3ip3 h GLU 304 CO -0.26 0.65 0.01 -0.44 -1.40 0.00 0.00 179.01 177.57 3ip3 h ASP 305 N 0.28 -0.19 -0.80 1.42 3.32 -1.84 -0.02 116.42 118.59 3ip3 h ASP 305 Ca 0.08 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 3ip3 h ASP 305 Cb 0.42 0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 3ip3 h ASP 305 CO 0.01 -0.07 0.40 0.28 -1.72 0.00 0.00 179.24 178.14 3ip3 h SER 306 N 0.13 1.03 0.05 6.45 0.02 -0.52 0.11 113.55 120.81 3ip3 h SER 306 Ca 0.26 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3ip3 h SER 306 Cb 0.39 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3ip3 h SER 306 CO -0.42 0.86 -0.02 0.40 -1.14 0.00 0.00 176.83 176.51 3ip3 h ILE 307 N 1.12 1.22 -0.52 3.27 2.04 -0.94 -3.11 117.51 120.59 3ip3 h ILE 307 Ca 0.27 -0.95 0.04 0.00 1.00 0.00 0.00 64.86 65.23 3ip3 h ILE 307 Cb 0.09 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 3ip3 h ILE 307 CO -0.04 0.24 0.28 0.25 0.00 0.00 0.00 178.15 178.88 3ip3 h LEU 308 N -0.49 0.41 -0.86 1.44 5.85 -0.65 0.04 115.31 121.04 3ip3 h LEU 308 Ca -0.01 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 3ip3 h LEU 308 Cb 0.44 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3ip3 h LEU 308 CO 0.01 0.28 -0.46 0.71 -0.34 0.00 0.00 178.44 178.65 3ip3 h THR 309 N 0.54 1.33 -0.44 1.05 1.35 -0.89 -0.06 112.91 115.79 3ip3 h THR 309 Ca 0.23 -1.64 -0.10 0.00 -0.55 0.00 0.00 66.41 64.34 3ip3 h THR 309 Cb 0.11 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 3ip3 h THR 309 CO -0.15 0.49 -0.13 0.74 -0.25 0.00 0.00 175.52 176.22 3ip3 h THR 310 N 0.20 1.27 -0.10 6.82 2.02 -1.43 -0.35 112.91 121.34 3ip3 h THR 310 Ca 0.01 -1.25 0.04 0.00 0.77 0.00 0.00 66.41 65.98 3ip3 h THR 310 Cb 0.89 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 3ip3 h THR 310 CO 0.07 0.43 -0.17 -0.08 0.37 0.00 0.00 175.52 176.14 3ip3 h GLU 311 N 0.69 -0.21 -0.69 6.66 4.81 -0.33 -0.10 114.58 125.40 3ip3 h GLU 311 Ca 0.11 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 3ip3 h GLU 311 Cb 0.68 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.06 3ip3 h GLU 311 CO 0.05 -0.14 0.42 0.82 -0.73 0.00 0.00 179.01 179.43 3ip3 h ILE 312 N -0.22 1.06 -0.27 2.32 2.04 -0.95 -1.06 117.51 120.42 3ip3 h ILE 312 Ca 0.09 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 3ip3 h ILE 312 Cb 0.35 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3ip3 h ILE 312 CO -0.23 0.15 0.15 0.00 0.00 0.00 0.00 178.15 178.22 3ip3 h ALA 313 N 1.31 0.35 -0.55 1.87 0.00 -0.64 0.40 119.26 122.00 3ip3 h ALA 313 Ca 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3ip3 h ALA 313 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3ip3 h ALA 313 CO -0.13 -0.12 0.29 -0.07 0.00 0.00 0.00 179.25 179.22 3ip3 h LEU 314 N 0.33 0.68 -0.53 0.00 3.38 -0.76 -0.55 115.31 117.87 3ip3 h LEU 314 Ca 0.10 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3ip3 h LEU 314 Cb 0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3ip3 h LEU 314 CO -0.02 0.56 0.13 0.11 0.09 0.00 0.00 178.44 179.31 3ip3 h LYS 315 N 0.77 0.84 -0.65 1.13 6.56 -0.70 0.08 116.57 124.60 3ip3 h LYS 315 Ca 0.20 -0.20 -0.08 0.00 -1.06 0.00 0.00 60.65 59.50 3ip3 h LYS 315 Cb 0.04 -0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 31.56 3ip3 h LYS 315 CO -0.03 0.80 0.09 0.00 -2.06 0.00 0.00 179.45 178.25 3ip3 h ALA 316 N 1.00 0.86 -0.66 3.86 0.00 -0.35 -0.41 119.26 123.57 3ip3 h ALA 316 Ca 0.16 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3ip3 h ALA 316 Cb 0.34 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3ip3 h ALA 316 CO 0.00 0.64 0.16 -0.09 0.00 0.00 0.00 179.25 179.96 3ip3 h ARG 317 N 1.00 1.06 -0.44 0.00 2.43 -0.94 -1.18 114.38 116.31 3ip3 h ARG 317 Ca 0.19 -0.26 0.07 0.00 -0.81 0.00 0.00 59.98 59.18 3ip3 h ARG 317 Cb 0.46 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 3ip3 h ARG 317 CO 0.02 0.95 0.09 1.25 -1.51 0.00 0.00 179.97 180.76 3ip3 h LEU 318 N 0.99 0.01 -0.11 3.80 5.85 -0.72 0.68 115.31 125.81 3ip3 h LEU 318 Ca 0.21 0.08 0.02 0.00 0.84 0.00 0.00 57.88 59.02 3ip3 h LEU 318 Cb 0.37 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3ip3 h LEU 318 CO 0.00 0.04 -0.00 -1.28 -0.34 0.00 0.00 178.44 176.86 3ip3 h SER 319 N 0.22 -0.05 0.09 1.25 0.87 -0.63 -2.04 113.55 113.27 3ip3 h SER 319 Ca 0.22 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 3ip3 h SER 319 Cb 0.27 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3ip3 h SER 319 CO -0.28 -0.01 -0.13 0.00 -0.53 0.00 0.00 176.83 175.88 3ip3 h ALA 320 N 1.09 1.69 0.00 6.23 0.00 -0.90 0.22 119.26 127.59 3ip3 h ALA 320 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ip3 h ALA 320 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ip3 h ALA 320 CO -0.09 0.23 -0.07 -0.44 0.00 0.00 0.00 179.25 178.89 3ip3 h ASP 321 N 0.08 0.00 0.00 0.00 3.32 -0.57 -3.39 116.42 115.87 3ip3 h ASP 321 Ca 0.02 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ip3 h ASP 321 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3ip3 h ASP 321 CO 0.02 0.01 -1.06 0.35 -1.72 0.00 0.00 179.24 176.84 3ip3 n THR 322 N -2.37 0.00 -0.94 0.35 -2.24 -0.79 -5.02 114.28 103.27 3ip3 n THR 322 Ca 0.05 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3ip3 n THR 322 Cb 0.45 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 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 2.23 0.56 3.64 3.38 0.00 0.71 -5.04 105.19 110.67 3ip3 n GLY 323 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.06 2.61 0.24 1.61 -1.52 -1.20 -5.05 119.66 116.30 3ip3 s GLN 324 Ca 0.00 -0.71 -0.31 0.00 -1.95 0.00 0.00 55.36 52.39 3ip3 s GLN 324 Cb 0.00 -2.55 -0.11 0.00 -0.22 0.00 0.00 33.01 30.13 3ip3 s GLN 324 CO 0.00 0.60 1.58 0.42 -0.25 0.00 0.00 175.29 177.64 3ip3 s ILE 325 N -1.08 2.31 -0.15 1.08 1.01 -1.26 -4.49 121.20 118.62 3ip3 s ILE 325 Ca 0.19 0.24 -0.00 0.00 0.00 0.00 0.00 60.65 61.08 3ip3 s ILE 325 Cb -0.11 -3.16 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 3ip3 s ILE 325 CO 0.10 0.03 -0.13 -0.69 0.00 0.00 0.00 174.94 174.25 3ip3 s VAL 326 N 0.50 2.91 0.17 2.92 1.01 -0.18 -4.99 120.40 122.74 3ip3 s VAL 326 Ca 0.66 -0.69 -0.27 0.00 0.00 0.00 0.00 61.98 61.68 3ip3 s VAL 326 Cb -0.46 -2.24 -0.08 0.00 0.00 0.00 0.00 36.38 33.60 3ip3 s VAL 326 CO 0.40 0.51 0.83 -0.76 0.00 0.00 0.00 175.10 176.07 3ip3 s LEU 327 N 0.69 4.60 0.00 3.92 1.43 -1.26 -1.36 118.68 126.69 3ip3 s LEU 327 Ca -0.06 1.72 0.08 0.00 -1.03 0.00 0.00 54.13 54.84 3ip3 s LEU 327 Cb -0.15 -3.39 0.06 0.00 0.03 0.00 0.00 46.19 42.74 3ip3 s LEU 327 CO 0.02 0.17 0.76 -0.38 0.23 0.00 0.00 176.35 177.15