#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iu3 s ILE 2 N 0.00 3.71 -0.07 5.09 1.01 -1.26 -5.00 121.20 124.68 3iu3 s ILE 2 Ca 0.00 1.51 -0.00 0.00 0.00 0.00 0.00 60.65 62.16 3iu3 s ILE 2 Cb 0.00 -3.96 0.02 0.00 0.01 0.00 0.00 42.46 38.53 3iu3 s ILE 2 CO 0.00 0.28 -0.03 -0.69 0.00 0.00 0.00 174.94 174.49 3iu3 s VAL 3 N -0.39 0.56 0.01 2.92 1.01 -1.26 -4.73 120.40 118.53 3iu3 s VAL 3 Ca 0.49 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 62.29 3iu3 s VAL 3 Cb -0.31 -0.64 -0.06 0.00 0.00 0.00 0.00 36.38 35.38 3iu3 s VAL 3 CO 0.37 0.27 0.39 -0.44 0.00 0.00 0.00 175.10 175.68 3iu3 s SER 4 N 1.47 6.74 -0.06 3.32 0.01 -1.26 -2.59 113.70 121.32 3iu3 s SER 4 Ca -0.02 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.13 3iu3 s SER 4 Cb -0.13 -2.22 0.02 0.00 0.21 0.00 0.00 66.02 63.90 3iu3 s SER 4 CO -0.03 0.29 -0.05 -0.89 0.41 0.00 0.00 173.24 172.97 3iu3 s THR 5 N -1.17 0.63 -0.08 1.44 2.01 -1.02 -4.36 115.64 113.09 3iu3 s THR 5 Ca 0.26 -0.12 -0.00 0.00 0.31 0.00 0.00 61.69 62.13 3iu3 s THR 5 Cb -0.16 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 3iu3 s THR 5 CO 0.14 0.27 -0.06 -1.10 -0.69 0.00 0.00 174.62 173.18 3iu3 s GLN 6 N 1.24 2.89 -0.04 4.92 -0.21 -1.26 -1.18 119.66 126.03 3iu3 s GLN 6 Ca -0.06 -0.53 0.01 0.00 0.02 0.00 0.00 55.36 54.81 3iu3 s GLN 6 Cb -0.14 -2.65 0.02 0.00 1.00 0.00 0.00 33.01 31.24 3iu3 s GLN 6 CO -0.02 0.61 -0.04 0.45 -2.12 0.00 0.00 175.29 174.17 3iu3 s SER 7 N -0.66 0.84 0.70 5.90 0.15 0.60 -4.40 113.70 116.83 3iu3 s SER 7 Ca 0.10 -0.12 -0.02 0.00 0.70 0.00 0.00 55.95 56.61 3iu3 s SER 7 Cb -0.11 -0.37 0.10 0.00 -1.71 0.00 0.00 66.02 63.92 3iu3 s SER 7 CO 0.02 -0.04 0.97 -2.16 1.20 0.00 0.00 173.24 173.23 3iu3 s PRO 8 N 0.76 1.85 0.04 5.44 0.04 -1.26 -0.05 135.00 141.83 3iu3 s PRO 8 Ca -0.10 -0.89 -0.18 0.00 0.04 0.00 0.00 61.00 59.87 3iu3 s PRO 8 Cb -0.13 -2.31 -0.17 0.00 0.04 0.00 0.00 34.50 31.93 3iu3 s PRO 8 CO 0.00 -1.33 1.24 0.00 0.04 0.00 0.00 177.00 176.95 3iu3 h ALA 9 N -0.49 0.21 -3.59 8.56 0.00 -1.80 -3.38 119.26 118.77 3iu3 h ALA 9 Ca -0.39 -0.48 -0.33 0.00 0.00 0.00 0.00 54.91 53.71 3iu3 h ALA 9 Cb 1.28 -0.02 -0.32 0.00 0.00 0.00 0.00 17.79 18.73 3iu3 h ALA 9 CO 0.45 0.35 -0.75 0.42 0.00 0.00 0.00 179.25 179.73 3iu3 s ILE 10 N -3.76 0.20 -0.00 0.00 1.01 -1.26 -0.11 121.20 117.28 3iu3 s ILE 10 Ca -0.13 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 3iu3 s ILE 10 Cb 0.06 -0.25 0.00 0.00 0.01 0.00 0.00 42.46 42.27 3iu3 s ILE 10 CO 0.82 0.12 0.11 0.00 0.00 0.00 0.00 174.94 175.99 3iu3 s MET 11 N 0.70 0.39 -0.03 2.79 0.23 -0.18 -4.96 119.30 118.24 3iu3 s MET 11 Ca -0.07 -0.32 0.02 0.00 -1.03 0.00 0.00 55.69 54.30 3iu3 s MET 11 Cb -0.10 0.16 -0.03 0.00 -1.53 0.00 0.00 34.83 33.33 3iu3 s MET 11 CO -0.01 -0.08 -0.07 -1.12 -2.03 0.00 0.00 175.02 171.70 3iu3 s SER 12 N -1.10 4.59 -0.03 -1.18 0.01 -1.26 -0.63 113.70 114.10 3iu3 s SER 12 Ca -0.12 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.05 3iu3 s SER 12 Cb -0.07 -1.10 0.02 0.00 0.21 0.00 0.00 66.02 65.09 3iu3 s SER 12 CO 0.01 0.32 -0.00 0.00 0.41 0.00 0.00 173.24 173.97 3iu3 s ALA 13 N -0.90 0.31 0.43 1.44 0.00 0.19 -4.74 121.76 118.48 3iu3 s ALA 13 Ca 0.15 0.14 -0.23 0.00 0.00 0.00 0.00 51.96 52.02 3iu3 s ALA 13 Cb -0.11 -0.29 -0.09 0.00 0.00 0.00 0.00 23.12 22.63 3iu3 s ALA 13 CO 0.05 -0.05 1.04 -1.12 0.00 0.00 0.00 175.76 175.67 3iu3 s SER 14 N 0.90 6.63 0.05 0.00 0.01 -1.26 -0.52 113.70 119.52 3iu3 s SER 14 Ca -0.09 1.99 -0.34 0.00 1.31 0.00 0.00 55.95 58.82 3iu3 s SER 14 Cb -0.12 -2.58 -0.13 0.00 0.21 0.00 0.00 66.02 63.40 3iu3 s SER 14 CO -0.02 -0.58 1.67 -2.65 0.41 0.00 0.00 173.24 172.08 3iu3 n PRO 15 N -0.37 2.04 0.00 12.44 -0.02 -1.26 -1.71 135.00 146.12 3iu3 n PRO 15 Ca 0.06 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3iu3 n PRO 15 Cb 0.51 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 3iu3 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iu3 n GLY 16 N 3.72 2.54 3.68 -1.23 0.00 0.45 -4.86 105.19 109.49 3iu3 n GLY 16 Ca 0.19 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 3iu3 n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iu3 n GLU 17 N 0.00 1.37 -2.56 1.61 1.02 -0.69 -3.92 120.64 117.46 3iu3 n GLU 17 Ca 0.00 0.51 -0.42 0.00 -0.02 0.00 0.00 57.16 57.23 3iu3 n GLU 17 Cb 0.00 -2.35 -0.03 0.00 -0.02 0.00 0.00 31.44 29.04 3iu3 n GLU 17 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3iu3 s LYS 18 N -2.69 4.49 -0.06 3.49 2.20 -1.25 -1.78 119.74 124.14 3iu3 s LYS 18 Ca 0.72 1.60 0.05 0.00 -0.36 0.00 0.00 55.97 57.97 3iu3 s LYS 18 Cb -0.44 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.45 3iu3 s LYS 18 CO 0.50 -0.16 -0.21 0.14 -0.36 0.00 0.00 175.35 175.26 3iu3 s VAL 19 N 1.06 2.46 -0.04 4.02 -7.23 -0.16 -4.99 120.40 115.52 3iu3 s VAL 19 Ca 0.55 -0.93 0.02 0.00 -1.81 0.00 0.00 61.98 59.82 3iu3 s VAL 19 Cb -0.25 -1.93 0.01 0.00 0.56 0.00 0.00 36.38 34.77 3iu3 s VAL 19 CO 0.28 0.57 -0.09 0.28 -0.31 0.00 0.00 175.10 175.84 3iu3 s THR 20 N -0.36 0.84 0.00 5.32 -1.32 -1.26 -0.72 115.64 118.14 3iu3 s THR 20 Ca 0.03 -0.35 0.02 0.00 -1.21 0.00 0.00 61.69 60.18 3iu3 s THR 20 Cb -0.12 -0.77 -0.01 0.00 -1.51 0.00 0.00 72.50 70.09 3iu3 s THR 20 CO 0.02 0.28 -0.06 0.00 -2.21 0.00 0.00 174.62 172.64 3iu3 s MET 21 N 0.46 0.50 -0.01 7.08 0.23 -0.53 -4.85 119.30 122.18 3iu3 s MET 21 Ca -0.08 -0.29 0.03 0.00 -1.03 0.00 0.00 55.69 54.32 3iu3 s MET 21 Cb -0.12 -0.46 -0.03 0.00 -1.53 0.00 0.00 34.83 32.69 3iu3 s MET 21 CO 0.01 0.12 -0.07 0.99 -2.03 0.00 0.00 175.02 174.04 3iu3 s THR 22 N -0.29 3.61 -0.05 3.16 2.01 0.93 -1.53 115.64 123.48 3iu3 s THR 22 Ca 0.01 -0.73 -0.00 0.00 0.31 0.00 0.00 61.69 61.27 3iu3 s THR 22 Cb -0.03 -2.55 0.03 0.00 0.01 0.00 0.00 72.50 69.96 3iu3 s THR 22 CO -0.00 0.44 -0.01 0.00 -0.69 0.00 0.00 174.62 174.36 3iu3 s SER 24 N 1.51 2.70 0.45 0.00 1.04 -0.32 -0.36 113.70 118.72 3iu3 s SER 24 Ca -0.02 -0.44 -0.17 0.00 0.48 0.00 0.00 55.95 55.80 3iu3 s SER 24 Cb -0.13 -0.62 -0.09 0.00 0.10 0.00 0.00 66.02 65.28 3iu3 s SER 24 CO -0.03 0.23 0.92 0.00 0.98 0.00 0.00 173.24 175.34 3iu3 s ALA 25 N -0.21 3.12 -0.27 5.32 0.00 0.14 -2.44 121.76 127.41 3iu3 s ALA 25 Ca -0.00 0.19 0.19 0.00 0.00 0.00 0.00 51.96 52.34 3iu3 s ALA 25 Cb -0.12 -3.04 0.15 0.00 0.00 0.00 0.00 23.12 20.11 3iu3 s ALA 25 CO 0.02 -0.03 1.43 0.66 0.00 0.00 0.00 175.76 177.84 3iu3 h SER 26 N 1.43 0.00 -5.01 0.00 4.64 -1.81 -3.46 113.55 109.33 3iu3 h SER 26 Ca -0.48 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.69 3iu3 h SER 26 Cb 1.18 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.07 3iu3 h SER 26 CO 0.62 0.27 -0.61 -0.44 -0.87 0.00 0.00 176.83 175.80 3iu3 s SER 27 N -6.23 0.18 0.36 4.97 0.01 -1.26 -5.01 113.70 106.72 3iu3 s SER 27 Ca 0.04 -0.44 -0.25 0.00 1.31 0.00 0.00 55.95 56.61 3iu3 s SER 27 Cb 0.07 0.15 -0.13 0.00 0.21 0.00 0.00 66.02 66.32 3iu3 s SER 27 CO 0.72 -0.37 0.77 -0.24 0.41 0.00 0.00 173.24 174.54 3iu3 n SER 28 N 1.36 0.14 -4.13 2.44 2.88 -1.26 -4.82 113.62 110.23 3iu3 n SER 28 Ca -0.22 1.03 -0.11 0.00 -1.33 0.00 0.00 58.87 58.24 3iu3 n SER 28 Cb 0.56 -1.20 -0.10 0.00 -0.75 0.00 0.00 64.21 62.72 3iu3 n SER 28 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3iu3 s ARG 29 N -1.61 0.73 -0.17 -1.46 0.52 -0.32 -4.99 118.95 111.65 3iu3 s ARG 29 Ca 0.62 -1.18 -0.19 0.00 -0.52 0.00 0.00 55.73 54.46 3iu3 s ARG 29 Cb -0.65 -0.17 -0.22 0.00 0.52 0.00 0.00 34.95 34.42 3iu3 s ARG 29 CO 0.58 -0.01 0.35 0.77 0.02 0.00 0.00 175.30 177.01 3iu3 h SER 30 N 3.35 0.14 -4.18 0.23 0.02 -1.95 -3.33 113.55 107.84 3iu3 h SER 30 Ca -0.35 -0.69 -0.34 0.00 -0.84 0.00 0.00 61.79 59.57 3iu3 h SER 30 Cb 1.17 -0.05 -0.17 0.00 0.14 0.00 0.00 62.40 63.50 3iu3 h SER 30 CO 0.59 1.54 -0.73 -0.31 -1.14 0.00 0.00 176.83 176.78 3iu3 s TYR 31 N -2.41 1.19 -0.05 3.45 2.02 -1.26 -4.88 117.35 115.43 3iu3 s TYR 31 Ca -0.25 -0.67 0.03 0.00 -0.37 0.00 0.00 57.07 55.80 3iu3 s TYR 31 Cb 0.05 -0.63 0.01 0.00 -0.40 0.00 0.00 41.96 40.99 3iu3 s TYR 31 CO 0.66 0.05 -0.12 1.41 -1.57 0.00 0.00 175.55 175.99 3iu3 s MET 32 N -3.10 1.47 0.13 -0.62 -2.45 -1.26 -4.73 119.30 108.73 3iu3 s MET 32 Ca 0.10 -0.41 0.05 0.00 -1.25 0.00 0.00 55.69 54.18 3iu3 s MET 32 Cb -0.01 -1.27 -0.04 0.00 1.25 0.00 0.00 34.83 34.76 3iu3 s MET 32 CO 0.01 0.09 0.07 -0.65 1.05 0.00 0.00 175.02 175.59 3iu3 s GLN 33 N 0.41 2.73 0.01 4.11 1.11 0.83 -0.82 119.66 128.04 3iu3 s GLN 33 Ca -0.09 -0.86 0.06 0.00 0.01 0.00 0.00 55.36 54.48 3iu3 s GLN 33 Cb -0.13 -2.59 -0.02 0.00 -1.01 0.00 0.00 33.01 29.26 3iu3 s GLN 33 CO 0.02 0.51 -0.18 -1.58 0.01 0.00 0.00 175.29 174.07 3iu3 s TRP 34 N -1.55 1.61 0.12 0.91 0.52 0.12 0.26 118.94 120.92 3iu3 s TRP 34 Ca 0.29 -0.33 0.09 0.00 0.02 0.00 0.00 56.10 56.18 3iu3 s TRP 34 Cb -0.11 -1.00 -0.04 0.00 -1.15 0.00 0.00 33.47 31.17 3iu3 s TRP 34 CO 0.21 0.01 -0.24 0.71 0.02 0.00 0.00 176.95 177.67 3iu3 s TYR 35 N -0.57 2.02 0.02 -1.98 1.51 0.46 -1.62 117.35 117.19 3iu3 s TYR 35 Ca 0.06 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.77 3iu3 s TYR 35 Cb -0.07 -1.10 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 3iu3 s TYR 35 CO 0.00 0.27 -0.11 -1.14 -1.11 0.00 0.00 175.55 173.46 3iu3 s GLN 36 N -1.99 2.36 -0.09 -0.62 0.74 0.02 -1.24 119.66 118.85 3iu3 s GLN 36 Ca 0.10 -0.83 -0.04 0.00 0.05 0.00 0.00 55.36 54.64 3iu3 s GLN 36 Cb -0.10 -2.38 0.04 0.00 1.10 0.00 0.00 33.01 31.68 3iu3 s GLN 36 CO 0.05 0.58 0.20 -1.14 -0.55 0.00 0.00 175.29 174.42 3iu3 s GLN 37 N -1.45 0.15 0.02 1.67 0.74 -0.46 0.20 119.66 120.53 3iu3 s GLN 37 Ca 0.16 0.46 0.06 0.00 0.05 0.00 0.00 55.36 56.09 3iu3 s GLN 37 Cb -0.11 -0.15 -0.03 0.00 1.10 0.00 0.00 33.01 33.82 3iu3 s GLN 37 CO 0.07 -0.16 -0.15 0.15 -0.55 0.00 0.00 175.29 174.64 3iu3 s LYS 38 N 1.22 2.22 0.13 1.67 1.02 -1.26 -1.87 119.74 122.87 3iu3 s LYS 38 Ca -0.09 -0.89 -0.34 0.00 0.02 0.00 0.00 55.97 54.66 3iu3 s LYS 38 Cb -0.11 -2.28 -0.16 0.00 -0.52 0.00 0.00 37.83 34.76 3iu3 s LYS 38 CO -0.07 0.56 1.20 -2.30 -0.92 0.00 0.00 175.35 173.82 3iu3 n PRO 39 N 1.63 1.05 -0.74 -1.68 -0.02 -1.26 -1.79 135.00 132.19 3iu3 n PRO 39 Ca -0.16 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3iu3 n PRO 39 Cb 0.52 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 3iu3 n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iu3 n GLY 40 N 2.15 0.80 3.37 -1.23 0.00 -1.26 -5.04 105.19 103.99 3iu3 n GLY 40 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 3iu3 n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iu3 s THR 41 N -3.08 1.08 0.59 2.61 -4.23 -0.74 -5.15 115.64 106.71 3iu3 s THR 41 Ca 0.00 -2.03 -0.17 0.00 -1.18 0.00 0.00 61.69 58.31 3iu3 s THR 41 Cb 0.00 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 3iu3 s THR 41 CO 0.00 -0.20 1.07 -0.44 -0.54 0.00 0.00 174.62 174.51 3iu3 s SER 42 N -3.37 5.71 0.47 3.99 0.01 -1.26 -4.64 113.70 114.61 3iu3 s SER 42 Ca 0.32 1.91 -0.25 0.00 1.31 0.00 0.00 55.95 59.25 3iu3 s SER 42 Cb 0.07 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.67 3iu3 s SER 42 CO 0.11 -1.21 1.40 -2.65 0.41 0.00 0.00 173.24 171.30 3iu3 n PRO 43 N -1.87 2.12 -5.28 12.44 -0.02 -1.26 -4.66 135.00 136.48 3iu3 n PRO 43 Ca 0.09 0.76 -0.31 0.00 -2.02 0.00 0.00 63.50 62.03 3iu3 n PRO 43 Cb 0.52 -2.60 -0.16 0.00 -0.02 0.00 0.00 33.50 31.24 3iu3 n PRO 43 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3iu3 s LYS 44 N -2.50 2.19 0.43 -0.52 2.20 0.13 -4.91 119.74 116.76 3iu3 s LYS 44 Ca 0.63 -0.91 -0.23 0.00 -0.36 0.00 0.00 55.97 55.10 3iu3 s LYS 44 Cb -0.45 -2.05 -0.11 0.00 -1.51 0.00 0.00 37.83 33.71 3iu3 s LYS 44 CO 0.56 0.51 0.81 0.54 -0.36 0.00 0.00 175.35 177.41 3iu3 n ARG 45 N 2.57 0.98 0.12 4.03 3.00 -1.26 -0.80 116.66 125.30 3iu3 n ARG 45 Ca -0.16 0.35 0.00 0.00 -0.01 0.00 0.00 57.85 58.03 3iu3 n ARG 45 Cb 0.51 -1.81 0.00 0.00 0.00 0.00 0.00 32.46 31.16 3iu3 n ARG 45 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.63 179.50 3iu3 n TRP 46 N -0.71 -1.86 -4.40 -1.55 -0.00 -0.64 -4.68 117.44 103.60 3iu3 n TRP 46 Ca 0.11 0.33 -0.22 0.00 -0.00 0.00 0.00 57.50 57.72 3iu3 n TRP 46 Cb 0.39 0.45 -0.16 0.00 -0.00 0.00 0.00 31.31 31.99 3iu3 n TRP 46 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 3iu3 s ILE 47 N -2.00 0.85 0.16 5.87 1.01 -0.93 -1.97 121.20 124.20 3iu3 s ILE 47 Ca 0.00 -0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.37 3iu3 s ILE 47 Cb 0.00 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.63 3iu3 s ILE 47 CO 0.00 0.28 -0.12 -0.72 0.00 0.00 0.00 174.94 174.38 3iu3 s TYR 48 N 0.61 1.43 -1.49 3.97 -0.85 -0.07 0.12 117.35 121.06 3iu3 s TYR 48 Ca -0.11 -0.67 -0.08 0.00 -0.52 0.00 0.00 57.07 55.69 3iu3 s TYR 48 Cb -0.13 -0.70 0.06 0.00 0.38 0.00 0.00 41.96 41.56 3iu3 s TYR 48 CO 0.02 0.18 0.70 -0.25 -1.52 0.00 0.00 175.55 174.68 3iu3 n ASP 49 N -0.17 -2.34 0.00 -0.18 8.00 -1.24 -1.59 116.55 119.03 3iu3 n ASP 49 Ca -0.10 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.49 3iu3 n ASP 49 Cb 0.60 -3.39 0.00 0.00 -0.02 0.00 0.00 41.12 38.31 3iu3 n ASP 49 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3iu3 n THR 50 N -4.45 0.00 -0.17 -3.53 -1.04 0.00 -4.03 114.28 101.07 3iu3 n THR 50 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3iu3 n THR 50 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 3iu3 n THR 50 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3iu3 n SER 51 N 2.44 0.42 -4.61 8.00 3.41 -1.23 -3.48 113.62 118.58 3iu3 n SER 51 Ca 0.00 -0.74 -0.41 0.00 -0.26 0.00 0.00 58.87 57.46 3iu3 n SER 51 Cb 0.00 0.29 -0.06 0.00 -0.26 0.00 0.00 64.21 64.18 3iu3 n SER 51 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3iu3 s LYS 52 N -0.29 4.00 0.28 4.33 1.02 -0.62 -4.40 119.74 124.06 3iu3 s LYS 52 Ca 0.00 0.43 -0.29 0.00 0.02 0.00 0.00 55.97 56.13 3iu3 s LYS 52 Cb 0.00 -3.69 -0.09 0.00 -0.52 0.00 0.00 37.83 33.53 3iu3 s LYS 52 CO 0.00 -0.50 1.04 -0.51 -0.92 0.00 0.00 175.35 174.47 3iu3 s LEU 53 N 2.57 4.54 0.73 3.17 1.43 -1.26 -0.89 118.68 128.96 3iu3 s LEU 53 Ca 0.26 2.14 -0.11 0.00 -1.03 0.00 0.00 54.13 55.39 3iu3 s LEU 53 Cb -0.15 -3.68 0.03 0.00 0.03 0.00 0.00 46.19 42.42 3iu3 s LEU 53 CO 0.10 -0.08 1.07 0.00 0.23 0.00 0.00 176.35 177.68 3iu3 s ALA 54 N -1.22 2.57 0.21 4.21 0.00 -0.83 -4.92 121.76 121.78 3iu3 s ALA 54 Ca 0.45 -0.06 -0.32 0.00 0.00 0.00 0.00 51.96 52.03 3iu3 s ALA 54 Cb -0.29 -3.14 -0.13 0.00 0.00 0.00 0.00 23.12 19.57 3iu3 s ALA 54 CO 0.37 -1.36 1.60 0.43 0.00 0.00 0.00 175.76 176.80 3iu3 n SER 55 N -3.20 3.47 0.00 0.00 7.64 -1.26 -1.90 113.62 118.36 3iu3 n SER 55 Ca 0.07 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.05 3iu3 n SER 55 Cb 0.55 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 3iu3 n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iu3 n GLY 56 N 3.14 1.48 3.68 0.23 0.00 -1.26 -5.03 105.19 107.43 3iu3 n GLY 56 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3iu3 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iu3 s VAL 57 N -2.70 4.72 0.60 1.61 1.01 -0.80 -5.01 120.40 119.84 3iu3 s VAL 57 Ca 0.00 2.02 -0.19 0.00 0.00 0.00 0.00 61.98 63.81 3iu3 s VAL 57 Cb 0.00 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 3iu3 s VAL 57 CO 0.00 -0.06 1.03 -2.65 0.00 0.00 0.00 175.10 173.42 3iu3 n PRO 58 N 5.48 0.99 0.28 2.72 -0.02 -1.26 -4.89 135.00 138.31 3iu3 n PRO 58 Ca 0.10 0.38 0.19 0.00 -2.02 0.00 0.00 63.50 62.15 3iu3 n PRO 58 Cb 0.48 -2.23 0.98 0.00 -0.02 0.00 0.00 33.50 32.71 3iu3 n PRO 58 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iu3 h ALA 59 N 0.60 1.00 -0.02 3.55 0.00 -2.00 -2.52 119.26 119.88 3iu3 h ALA 59 Ca -0.49 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3iu3 h ALA 59 Cb 1.36 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3iu3 h ALA 59 CO 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 179.25 179.71 3iu3 h ARG 60 N 0.00 0.02 -6.34 0.00 3.08 -1.94 -3.42 114.38 105.78 3iu3 h ARG 60 Ca 0.00 -0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 3iu3 h ARG 60 Cb 0.10 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3iu3 h ARG 60 CO 0.00 0.08 0.22 -0.06 -1.07 0.00 0.00 179.97 179.15 3iu3 s PHE 61 N -4.93 3.73 0.10 3.04 0.08 -0.95 -0.86 117.98 118.18 3iu3 s PHE 61 Ca -0.05 1.55 0.02 0.00 0.12 0.00 0.00 56.93 58.58 3iu3 s PHE 61 Cb 0.17 -2.91 -0.04 0.00 -0.57 0.00 0.00 43.02 39.67 3iu3 s PHE 61 CO 0.68 0.20 -0.08 -1.54 -0.10 0.00 0.00 175.22 174.39 3iu3 s SER 62 N 0.19 1.23 0.01 1.36 1.04 0.33 -4.98 113.70 112.87 3iu3 s SER 62 Ca 0.42 -0.92 0.06 0.00 0.48 0.00 0.00 55.95 55.99 3iu3 s SER 62 Cb -0.21 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.96 3iu3 s SER 62 CO 0.25 -0.39 -0.19 -0.83 0.98 0.00 0.00 173.24 173.06 3iu3 s GLY 63 N -2.78 0.97 0.16 7.32 0.00 -1.26 -1.19 107.32 110.53 3iu3 s GLY 63 Ca 0.09 -0.88 -0.06 0.00 0.00 0.00 0.00 44.72 43.87 3iu3 s GLY 63 CO -0.03 -0.77 0.20 -0.45 0.00 0.00 0.00 173.10 172.05 3iu3 s SER 64 N -0.70 0.14 0.00 1.64 0.15 -0.30 -4.22 113.70 110.41 3iu3 s SER 64 Ca 0.07 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 55.68 3iu3 s SER 64 Cb -0.08 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 3iu3 s SER 64 CO 0.00 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.21 3iu3 n GLY 65 N -0.18 2.56 3.60 9.45 0.00 -1.26 -0.98 105.19 118.38 3iu3 n GLY 65 Ca -0.06 -2.13 -0.04 0.00 0.00 0.00 0.00 46.02 43.79 3iu3 n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iu3 s SER 66 N 0.00 -0.20 1.29 1.61 1.04 -0.58 -4.95 113.70 111.92 3iu3 s SER 66 Ca 0.00 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.32 3iu3 s SER 66 Cb 0.00 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.41 3iu3 s SER 66 CO 0.00 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.33 3iu3 n GLY 67 N -0.29 1.49 0.11 7.32 0.00 -1.25 -2.60 105.19 109.97 3iu3 n GLY 67 Ca -0.05 0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.02 3iu3 n GLY 67 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iu3 n THR 68 N 0.00 0.52 -4.08 2.61 -2.24 -1.26 -1.18 114.28 108.66 3iu3 n THR 68 Ca 0.00 -0.76 -0.26 0.00 -2.27 0.00 0.00 64.05 60.76 3iu3 n THR 68 Cb 0.00 0.76 -0.17 0.00 -2.10 0.00 0.00 70.33 68.82 3iu3 n THR 68 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3iu3 s SER 69 N -0.61 1.95 0.15 3.42 0.15 -1.07 0.24 113.70 117.93 3iu3 s SER 69 Ca 0.04 -0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.43 3iu3 s SER 69 Cb 0.02 -0.78 -0.04 0.00 -1.71 0.00 0.00 66.02 63.50 3iu3 s SER 69 CO 0.03 -0.08 -0.03 -0.31 1.20 0.00 0.00 173.24 174.04 3iu3 s TYR 70 N 1.42 1.13 -0.08 3.44 1.51 0.51 -1.52 117.35 123.76 3iu3 s TYR 70 Ca -0.01 -0.95 -0.24 0.00 -1.01 0.00 0.00 57.07 54.86 3iu3 s TYR 70 Cb -0.13 -0.64 0.05 0.00 -0.11 0.00 0.00 41.96 41.13 3iu3 s TYR 70 CO -0.05 -0.15 0.55 -1.54 -1.11 0.00 0.00 175.55 173.25 3iu3 s SER 71 N -3.14 -0.51 -0.06 2.29 1.04 -0.15 -0.71 113.70 112.47 3iu3 s SER 71 Ca 0.19 0.64 -0.02 0.00 0.48 0.00 0.00 55.95 57.24 3iu3 s SER 71 Cb 0.05 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 3iu3 s SER 71 CO 0.01 -0.46 0.07 -0.22 0.98 0.00 0.00 173.24 173.61 3iu3 s LEU 72 N -0.87 3.89 -0.03 2.42 0.20 -0.58 -1.16 118.68 122.55 3iu3 s LEU 72 Ca -0.09 0.22 0.01 0.00 0.69 0.00 0.00 54.13 54.95 3iu3 s LEU 72 Cb -0.02 -2.07 0.02 0.00 -0.43 0.00 0.00 46.19 43.69 3iu3 s LEU 72 CO 0.06 0.34 -0.03 -0.89 -0.29 0.00 0.00 176.35 175.54 3iu3 s THR 73 N -1.05 0.39 -0.20 3.68 2.01 -0.34 -1.46 115.64 118.67 3iu3 s THR 73 Ca 0.18 -0.05 -0.05 0.00 0.31 0.00 0.00 61.69 62.08 3iu3 s THR 73 Cb -0.12 -0.43 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 3iu3 s THR 73 CO 0.08 0.18 0.00 -0.63 -0.69 0.00 0.00 174.62 173.56 3iu3 s ILE 74 N 0.85 3.94 0.03 1.82 1.01 0.10 -0.51 121.20 128.44 3iu3 s ILE 74 Ca -0.10 -0.32 -0.20 0.00 0.00 0.00 0.00 60.65 60.03 3iu3 s ILE 74 Cb -0.13 -2.78 -0.16 0.00 0.01 0.00 0.00 42.46 39.39 3iu3 s ILE 74 CO -0.00 0.42 1.28 0.77 0.00 0.00 0.00 174.94 177.41 3iu3 h SER 75 N 7.55 0.41 -3.25 3.58 4.64 -1.29 -0.39 113.55 124.79 3iu3 h SER 75 Ca -0.36 -0.55 -0.44 0.00 -0.47 0.00 0.00 61.79 59.96 3iu3 h SER 75 Cb 1.18 -0.12 -0.38 0.00 -0.31 0.00 0.00 62.40 62.77 3iu3 h SER 75 CO 0.61 0.88 -0.77 -0.55 -0.87 0.00 0.00 176.83 176.13 3iu3 s SER 76 N -6.26 1.61 0.06 4.97 0.15 -1.26 -3.85 113.70 109.12 3iu3 s SER 76 Ca -0.14 -0.09 -0.30 0.00 0.70 0.00 0.00 55.95 56.11 3iu3 s SER 76 Cb 0.05 -0.45 -0.05 0.00 -1.71 0.00 0.00 66.02 63.85 3iu3 s SER 76 CO 0.77 -0.19 1.11 -0.32 1.20 0.00 0.00 173.24 175.80 3iu3 s MET 77 N 1.96 4.50 0.13 5.44 1.75 -0.74 -4.74 119.30 127.61 3iu3 s MET 77 Ca 0.05 1.64 0.08 0.00 -1.25 0.00 0.00 55.69 56.20 3iu3 s MET 77 Cb -0.12 -3.38 -0.04 0.00 2.84 0.00 0.00 34.83 34.13 3iu3 s MET 77 CO -0.05 -0.13 -0.18 -1.21 -0.65 0.00 0.00 175.02 172.80 3iu3 s GLU 78 N 0.82 1.16 0.30 4.11 2.02 -1.26 -0.41 118.70 125.43 3iu3 s GLU 78 Ca 0.55 -1.29 0.05 0.00 0.02 0.00 0.00 54.97 54.30 3iu3 s GLU 78 Cb -0.26 -1.23 0.74 0.00 0.10 0.00 0.00 34.13 33.47 3iu3 s GLU 78 CO 0.30 0.26 1.74 0.00 0.02 0.00 0.00 175.26 177.58 3iu3 h ALA 79 N 3.57 1.58 0.00 5.21 0.00 -1.98 -0.16 119.26 127.48 3iu3 h ALA 79 Ca -0.43 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3iu3 h ALA 79 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3iu3 h ALA 79 CO 0.47 -0.18 0.20 1.49 0.00 0.00 0.00 179.25 181.24 3iu3 h GLU 80 N 0.61 0.00 0.00 0.00 4.81 -2.02 -2.88 114.58 115.10 3iu3 h GLU 80 Ca 0.57 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.80 3iu3 h GLU 80 Cb 0.97 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.35 3iu3 h GLU 80 CO -0.43 0.00 -0.68 -0.44 -0.73 0.00 0.00 179.01 176.73 3iu3 h ASP 81 N 0.00 0.00 -2.18 1.04 3.32 -1.43 -3.46 116.42 113.71 3iu3 h ASP 81 Ca 0.00 -0.23 -0.57 0.00 0.02 0.00 0.00 57.03 56.26 3iu3 h ASP 81 Cb 0.40 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.96 3iu3 h ASP 81 CO 0.00 0.11 1.25 0.00 -1.72 0.00 0.00 179.24 178.88 3iu3 n ALA 82 N -1.84 1.42 -3.92 3.45 0.00 -1.09 -4.86 120.51 113.68 3iu3 n ALA 82 Ca 0.03 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3iu3 n ALA 82 Cb 0.44 -2.67 0.01 0.00 0.00 0.00 0.00 19.45 17.23 3iu3 n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iu3 s ALA 83 N 5.04 -2.11 -0.12 0.00 0.00 -0.87 -4.94 121.76 118.77 3iu3 s ALA 83 Ca 0.92 -0.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.79 3iu3 s ALA 83 Cb -0.50 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 3iu3 s ALA 83 CO 0.44 -1.11 0.01 0.99 0.00 0.00 0.00 175.76 176.09 3iu3 s THR 84 N -2.12 4.37 -0.20 0.00 2.01 -0.78 0.31 115.64 119.23 3iu3 s THR 84 Ca 0.25 -0.21 -0.02 0.00 0.31 0.00 0.00 61.69 62.02 3iu3 s THR 84 Cb -0.01 -2.88 -0.00 0.00 0.01 0.00 0.00 72.50 69.62 3iu3 s THR 84 CO 0.01 0.56 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.11 3iu3 s TYR 85 N -0.46 2.90 -0.18 4.92 2.02 0.19 -1.35 117.35 125.38 3iu3 s TYR 85 Ca 0.09 -1.02 -0.05 0.00 -0.37 0.00 0.00 57.07 55.71 3iu3 s TYR 85 Cb -0.12 -2.03 -0.03 0.00 -0.40 0.00 0.00 41.96 39.38 3iu3 s TYR 85 CO 0.02 -0.54 0.01 0.71 -1.57 0.00 0.00 175.55 174.18 3iu3 s TYR 86 N 1.27 3.10 0.35 2.71 2.02 -0.37 -0.91 117.35 125.52 3iu3 s TYR 86 Ca 0.03 -0.22 -0.15 0.00 -0.37 0.00 0.00 57.07 56.36 3iu3 s TYR 86 Cb -0.14 -2.05 -0.09 0.00 -0.40 0.00 0.00 41.96 39.28 3iu3 s TYR 86 CO -0.04 -0.05 0.77 0.00 -1.57 0.00 0.00 175.55 174.67 3iu3 s HIS 88 N -2.09 -0.52 0.03 0.00 2.46 0.14 -0.16 115.29 115.15 3iu3 s HIS 88 Ca 0.55 1.08 0.04 0.00 0.47 0.00 0.00 55.06 57.19 3iu3 s HIS 88 Cb -0.10 0.24 -0.02 0.00 -0.13 0.00 0.00 32.58 32.57 3iu3 s HIS 88 CO 0.20 -0.42 -0.11 -1.14 -2.47 0.00 0.00 174.74 170.80 3iu3 s GLN 89 N -0.57 0.73 -0.01 2.88 -0.44 -1.21 -0.12 119.66 120.93 3iu3 s GLN 89 Ca -0.07 -0.65 0.11 0.00 -2.50 0.00 0.00 55.36 52.25 3iu3 s GLN 89 Cb -0.03 -0.67 0.34 0.00 -1.64 0.00 0.00 33.01 31.01 3iu3 s GLN 89 CO 0.05 0.16 1.27 2.89 0.50 0.00 0.00 175.29 180.15 3iu3 n ARG 90 N 1.98 1.96 0.00 1.67 1.85 -1.26 -1.72 116.66 121.14 3iu3 n ARG 90 Ca -0.18 -1.38 -0.11 0.00 -1.00 0.00 0.00 57.85 55.18 3iu3 n ARG 90 Cb 0.55 -1.34 -0.09 0.00 -1.05 0.00 0.00 32.46 30.54 3iu3 n ARG 90 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 3iu3 h SER 91 N 2.19 -0.09 0.00 2.89 0.02 -1.97 -3.41 113.55 113.19 3iu3 h SER 91 Ca 0.00 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 3iu3 h SER 91 Cb 0.56 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.12 3iu3 h SER 91 CO 0.02 0.57 0.00 -1.54 -1.14 0.00 0.00 176.83 174.74 3iu3 n SER 92 N -4.81 0.53 -0.62 3.07 3.41 -1.26 -5.04 113.62 108.90 3iu3 n SER 92 Ca -0.08 -1.01 -0.08 0.00 -0.26 0.00 0.00 58.87 57.44 3iu3 n SER 92 Cb 0.30 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 3iu3 n SER 92 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3iu3 n TYR 93 N -0.00 0.00 -2.71 7.33 4.02 -0.70 -5.01 117.16 120.08 3iu3 n TYR 93 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.55 3iu3 n TYR 93 Cb 0.12 -1.71 -0.06 0.00 -0.02 0.00 0.00 39.34 37.67 3iu3 n TYR 93 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3iu3 s THR 94 N -2.23 4.15 0.16 -0.72 -4.23 -1.26 -4.86 115.64 106.65 3iu3 s THR 94 Ca 0.00 1.39 0.04 0.00 -1.18 0.00 0.00 61.69 61.94 3iu3 s THR 94 Cb 0.00 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.21 3iu3 s THR 94 CO 0.00 -0.23 0.24 -0.36 -0.54 0.00 0.00 174.62 173.73 3iu3 s PHE 95 N -2.03 3.37 1.11 3.99 0.40 -1.26 -3.34 117.98 120.21 3iu3 s PHE 95 Ca 0.62 0.06 -0.18 0.00 -0.60 0.00 0.00 56.93 56.83 3iu3 s PHE 95 Cb -0.13 -1.60 0.25 0.00 0.51 0.00 0.00 43.02 42.05 3iu3 s PHE 95 CO 0.17 0.51 1.19 0.20 0.70 0.00 0.00 175.22 177.99 3iu3 s GLY 96 N -3.27 1.65 0.27 4.36 0.00 0.77 -4.41 107.32 106.70 3iu3 s GLY 96 Ca 0.33 -1.04 0.25 0.00 0.00 0.00 0.00 44.72 44.27 3iu3 s GLY 96 CO 0.27 -0.20 1.73 -1.33 0.00 0.00 0.00 173.10 173.57 3iu3 h GLY 97 N -2.23 0.00 0.00 0.20 0.00 -1.89 -3.44 103.07 95.71 3iu3 h GLY 97 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3iu3 h GLY 97 CO 0.36 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.51 3iu3 n GLY 98 N 1.25 0.61 3.23 4.60 0.00 -1.26 -5.00 105.19 108.62 3iu3 n GLY 98 Ca 0.05 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 3iu3 n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iu3 s THR 99 N -2.11 2.77 -0.24 2.61 2.01 -0.09 -4.54 115.64 116.05 3iu3 s THR 99 Ca 0.00 -0.70 -0.20 0.00 0.31 0.00 0.00 61.69 61.10 3iu3 s THR 99 Cb 0.00 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 3iu3 s THR 99 CO 0.00 0.48 0.61 -0.75 -0.69 0.00 0.00 174.62 174.27 3iu3 s LYS 100 N 1.34 4.13 -0.22 4.92 2.20 0.85 -0.64 119.74 132.31 3iu3 s LYS 100 Ca 0.04 0.53 -0.08 0.00 -0.36 0.00 0.00 55.97 56.11 3iu3 s LYS 100 Cb -0.14 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 3iu3 s LYS 100 CO -0.07 -0.37 0.08 -1.17 -0.36 0.00 0.00 175.35 173.46 3iu3 s LEU 101 N 2.35 3.69 0.40 5.43 2.96 0.15 -1.01 118.68 132.65 3iu3 s LEU 101 Ca 0.26 -0.04 0.05 0.00 -0.22 0.00 0.00 54.13 54.17 3iu3 s LEU 101 Cb -0.16 -1.97 -0.06 0.00 0.50 0.00 0.00 46.19 44.51 3iu3 s LEU 101 CO 0.09 0.06 0.04 -1.61 -1.32 0.00 0.00 176.35 173.61 3iu3 s GLU 102 N 1.03 1.89 -0.20 1.98 2.02 0.19 -2.05 118.70 123.56 3iu3 s GLU 102 Ca 0.05 -2.10 -0.19 0.00 0.02 0.00 0.00 54.97 52.75 3iu3 s GLU 102 Cb -0.14 -1.28 -0.03 0.00 0.10 0.00 0.00 34.13 32.78 3iu3 s GLU 102 CO 0.03 -0.18 0.53 0.42 0.02 0.00 0.00 175.26 176.08 3iu3 s ILE 103 N -2.97 5.09 -0.01 -1.63 -1.09 -1.26 -0.64 121.20 118.70 3iu3 s ILE 103 Ca 0.30 0.98 -0.23 0.00 -2.23 0.00 0.00 60.65 59.47 3iu3 s ILE 103 Cb 0.08 -3.85 -0.05 0.00 -1.58 0.00 0.00 42.46 37.05 3iu3 s ILE 103 CO 0.15 0.17 0.68 -0.75 -1.23 0.00 0.00 174.94 173.95 3iu3 s LYS 104 N 1.69 4.41 0.26 2.79 2.20 0.32 -4.72 119.74 126.69 3iu3 s LYS 104 Ca 0.25 0.87 -0.06 0.00 -0.36 0.00 0.00 55.97 56.66 3iu3 s LYS 104 Cb -0.15 -3.38 -0.01 0.00 -1.51 0.00 0.00 37.83 32.77 3iu3 s LYS 104 CO 0.10 0.26 0.38 -0.98 -0.36 0.00 0.00 175.35 174.74 3iu3 s ARG 105 N 0.13 1.56 0.71 4.03 1.04 -1.26 -4.09 118.95 121.08 3iu3 s ARG 105 Ca 0.35 -1.51 -0.16 0.00 -1.04 0.00 0.00 55.73 53.37 3iu3 s ARG 105 Cb -0.19 0.41 0.03 0.00 -2.04 0.00 0.00 34.95 33.16 3iu3 s ARG 105 CO 0.19 -0.61 1.23 0.95 -0.04 0.00 0.00 175.30 177.02 3iu3 s THR 106 N -3.79 2.18 0.38 4.99 -4.23 -1.26 -4.92 115.64 108.99 3iu3 s THR 106 Ca 0.30 0.10 -0.28 0.00 -1.18 0.00 0.00 61.69 60.62 3iu3 s THR 106 Cb 0.02 -2.77 -0.11 0.00 1.34 0.00 0.00 72.50 70.98 3iu3 s THR 106 CO 0.13 -0.04 1.50 -0.69 -0.54 0.00 0.00 174.62 174.98 3iu3 s VAL 107 N -1.81 2.03 -0.05 2.29 1.01 -1.26 -4.82 120.40 117.79 3iu3 s VAL 107 Ca 0.77 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.78 3iu3 s VAL 107 Cb -0.32 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.07 3iu3 s VAL 107 CO 0.44 0.01 -0.04 0.00 0.00 0.00 0.00 175.10 175.50 3iu3 s ALA 108 N -1.09 0.70 0.24 5.51 0.00 -0.92 -4.93 121.76 121.28 3iu3 s ALA 108 Ca 0.53 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 3iu3 s ALA 108 Cb -0.47 -0.47 -0.09 0.00 0.00 0.00 0.00 23.12 22.10 3iu3 s ALA 108 CO 0.63 -0.07 1.01 0.00 0.00 0.00 0.00 175.76 177.33 3iu3 s ALA 109 N 1.03 3.36 0.26 0.00 0.00 -1.26 -1.75 121.76 123.39 3iu3 s ALA 109 Ca -0.09 0.73 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 3iu3 s ALA 109 Cb -0.14 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 3iu3 s ALA 109 CO -0.01 0.04 1.14 -1.25 0.00 0.00 0.00 175.76 175.68 3iu3 s PRO 110 N -1.16 4.58 0.17 0.00 0.04 -1.26 -4.63 135.00 132.75 3iu3 s PRO 110 Ca 0.43 1.84 -0.30 0.00 0.04 0.00 0.00 61.00 63.02 3iu3 s PRO 110 Cb -0.28 -3.20 -0.07 0.00 0.04 0.00 0.00 34.50 30.99 3iu3 s PRO 110 CO 0.35 0.11 1.02 -1.12 0.04 0.00 0.00 177.00 177.40 3iu3 s SER 111 N -0.57 7.43 -0.18 6.66 0.01 -0.37 -4.81 113.70 121.86 3iu3 s SER 111 Ca 0.47 1.96 -0.00 0.00 1.31 0.00 0.00 55.95 59.69 3iu3 s SER 111 Cb -0.32 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.31 3iu3 s SER 111 CO 0.41 -0.08 -0.16 -0.69 0.41 0.00 0.00 173.24 173.13 3iu3 s VAL 112 N -0.41 2.46 0.05 3.43 1.01 -1.26 0.29 120.40 125.97 3iu3 s VAL 112 Ca 0.46 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.71 3iu3 s VAL 112 Cb -0.27 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 3iu3 s VAL 112 CO 0.33 0.51 -0.22 -0.36 0.00 0.00 0.00 175.10 175.36 3iu3 s PHE 113 N 1.23 1.92 -0.00 5.22 0.08 0.19 -4.99 117.98 121.63 3iu3 s PHE 113 Ca 0.03 -0.38 0.07 0.00 0.12 0.00 0.00 56.93 56.76 3iu3 s PHE 113 Cb -0.14 -1.14 -0.02 0.00 -0.57 0.00 0.00 43.02 41.15 3iu3 s PHE 113 CO -0.08 0.11 -0.21 -1.50 -0.10 0.00 0.00 175.22 173.43 3iu3 s ILE 114 N -0.82 1.69 -0.14 0.64 2.07 -1.26 -0.63 121.20 122.75 3iu3 s ILE 114 Ca 0.08 -0.99 0.02 0.00 -1.41 0.00 0.00 60.65 58.36 3iu3 s ILE 114 Cb -0.09 -1.42 0.01 0.00 0.13 0.00 0.00 42.46 41.09 3iu3 s ILE 114 CO 0.02 0.41 -0.20 -0.36 -1.91 0.00 0.00 174.94 172.90 3iu3 s PHE 115 N -0.57 2.56 0.64 3.50 0.08 0.55 -5.01 117.98 119.73 3iu3 s PHE 115 Ca 0.08 -1.32 -0.14 0.00 0.12 0.00 0.00 56.93 55.67 3iu3 s PHE 115 Cb -0.08 -1.76 -0.01 0.00 -0.57 0.00 0.00 43.02 40.59 3iu3 s PHE 115 CO -0.00 -0.62 1.07 -2.14 -0.10 0.00 0.00 175.22 173.43 3iu3 s PRO 116 N 0.93 3.04 0.23 0.24 0.02 -1.26 -2.07 135.00 136.13 3iu3 s PRO 116 Ca -0.05 1.19 -0.32 0.00 0.02 0.00 0.00 61.00 61.85 3iu3 s PRO 116 Cb -0.15 -2.00 -0.13 0.00 0.02 0.00 0.00 34.50 32.25 3iu3 s PRO 116 CO -0.04 -1.03 1.60 -2.30 -0.33 0.00 0.00 177.00 174.90 3iu3 n PRO 117 N -2.45 2.50 -1.04 5.54 -0.02 -1.24 -4.89 135.00 133.39 3iu3 n PRO 117 Ca 0.09 0.89 -0.33 0.00 -2.02 0.00 0.00 63.50 62.14 3iu3 n PRO 117 Cb 0.53 -2.67 0.13 0.00 -0.02 0.00 0.00 33.50 31.47 3iu3 n PRO 117 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3iu3 s SER 118 N 0.75 3.52 0.21 2.55 1.04 -1.26 -4.93 113.70 115.58 3iu3 s SER 118 Ca 0.71 2.28 -0.08 0.00 0.48 0.00 0.00 55.95 59.34 3iu3 s SER 118 Cb -0.56 -2.58 0.16 0.00 0.10 0.00 0.00 66.02 63.14 3iu3 s SER 118 CO 0.42 -2.71 1.79 0.44 0.98 0.00 0.00 173.24 174.15 3iu3 h ASP 119 N -1.13 1.10 -0.74 7.02 3.32 -2.01 -3.05 116.42 120.93 3iu3 h ASP 119 Ca -0.45 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.41 3iu3 h ASP 119 Cb 1.28 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.51 3iu3 h ASP 119 CO 0.45 0.96 0.39 -0.08 -1.72 0.00 0.00 179.24 179.25 3iu3 h GLU 120 N 1.17 1.05 -0.26 3.56 4.81 -2.00 -2.63 114.58 120.28 3iu3 h GLU 120 Ca 0.27 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 3iu3 h GLU 120 Cb 0.20 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3iu3 h GLU 120 CO -0.02 0.79 -0.19 0.37 -0.73 0.00 0.00 179.01 179.22 3iu3 h GLN 121 N 1.06 0.47 0.00 1.92 4.15 -1.84 -3.00 115.11 117.87 3iu3 h GLN 121 Ca 0.26 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 3iu3 h GLN 121 Cb 0.06 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 3iu3 h GLN 121 CO -0.04 0.65 -0.11 -0.07 -1.93 0.00 0.00 178.83 177.33 3iu3 h LEU 122 N 0.43 0.00 -0.26 -2.39 3.38 -1.41 -2.55 115.31 112.50 3iu3 h LEU 122 Ca 0.07 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3iu3 h LEU 122 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3iu3 h LEU 122 CO 0.04 0.11 -0.13 0.11 0.09 0.00 0.00 178.44 178.66 3iu3 h LYS 123 N 0.00 0.55 0.00 1.13 6.56 -1.50 -3.13 116.57 120.18 3iu3 h LYS 123 Ca -0.00 -0.24 0.00 0.00 -1.06 0.00 0.00 60.65 59.35 3iu3 h LYS 123 Cb 0.49 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.14 3iu3 h LYS 123 CO 0.01 0.80 0.00 -1.13 -2.06 0.00 0.00 179.45 177.08 3iu3 n SER 124 N -4.46 0.63 0.00 0.86 3.41 -0.98 -4.88 113.62 108.20 3iu3 n SER 124 Ca -0.04 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 3iu3 n SER 124 Cb 0.36 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 3iu3 n SER 124 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iu3 n GLY 125 N -0.15 0.82 3.32 5.00 0.00 -1.14 -5.08 105.19 107.97 3iu3 n GLY 125 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3iu3 n GLY 125 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iu3 s THR 126 N -2.00 1.81 -0.10 2.61 2.01 -1.20 -1.21 115.64 117.56 3iu3 s THR 126 Ca 0.00 -1.75 0.01 0.00 0.31 0.00 0.00 61.69 60.26 3iu3 s THR 126 Cb 0.00 -1.73 0.02 0.00 0.01 0.00 0.00 72.50 70.79 3iu3 s THR 126 CO 0.00 -0.18 -0.12 0.00 -0.69 0.00 0.00 174.62 173.64 3iu3 s ALA 127 N -1.60 1.47 -0.20 7.40 0.00 0.11 -3.73 121.76 125.21 3iu3 s ALA 127 Ca 0.12 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 3iu3 s ALA 127 Cb -0.08 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.23 3iu3 s ALA 127 CO 0.06 -0.19 -0.12 -1.12 0.00 0.00 0.00 175.76 174.39 3iu3 s SER 128 N 1.22 3.75 -0.26 0.00 0.01 -1.26 -1.23 113.70 115.94 3iu3 s SER 128 Ca -0.03 -0.51 -0.10 0.00 1.31 0.00 0.00 55.95 56.62 3iu3 s SER 128 Cb -0.14 -1.62 -0.05 0.00 0.21 0.00 0.00 66.02 64.43 3iu3 s SER 128 CO -0.04 -0.01 0.16 -0.69 0.41 0.00 0.00 173.24 173.07 3iu3 s VAL 129 N 1.36 5.16 -0.23 3.43 1.01 0.68 -3.70 120.40 128.11 3iu3 s VAL 129 Ca 0.05 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.09 3iu3 s VAL 129 Cb -0.14 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 3iu3 s VAL 129 CO -0.07 0.30 0.00 -0.69 0.00 0.00 0.00 175.10 174.64 3iu3 s VAL 130 N 1.43 3.80 -0.23 2.92 1.01 -0.88 0.22 120.40 128.67 3iu3 s VAL 130 Ca 0.07 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 3iu3 s VAL 130 Cb -0.15 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 3iu3 s VAL 130 CO 0.07 0.39 0.04 0.00 0.00 0.00 0.00 175.10 175.61 3iu3 s LEU 132 N 1.32 2.59 -0.33 0.00 2.96 0.20 0.60 118.68 126.03 3iu3 s LEU 132 Ca 0.05 -0.41 -0.09 0.00 -0.22 0.00 0.00 54.13 53.46 3iu3 s LEU 132 Cb -0.15 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 44.96 3iu3 s LEU 132 CO 0.03 0.11 0.15 -0.76 -1.32 0.00 0.00 176.35 174.56 3iu3 s LEU 133 N 0.65 4.25 -0.11 -0.68 1.02 0.21 -0.63 118.68 123.38 3iu3 s LEU 133 Ca -0.07 -0.74 -0.03 0.00 0.02 0.00 0.00 54.13 53.30 3iu3 s LEU 133 Cb -0.16 -1.97 -0.03 0.00 0.02 0.00 0.00 46.19 44.05 3iu3 s LEU 133 CO 0.02 -0.26 0.01 0.21 0.02 0.00 0.00 176.35 176.36 3iu3 s ASN 134 N 1.56 5.31 -0.63 2.29 2.47 0.15 -0.67 114.94 125.41 3iu3 s ASN 134 Ca 0.03 0.12 -0.15 0.00 0.42 0.00 0.00 52.86 53.27 3iu3 s ASN 134 Cb -0.18 -1.63 0.02 0.00 -1.45 0.00 0.00 41.25 38.01 3iu3 s ASN 134 CO 0.05 0.32 0.64 0.59 -3.72 0.00 0.00 177.10 174.98 3iu3 n ASN 135 N 2.55 -5.96 -4.38 -4.21 3.02 -1.02 -1.24 115.26 104.02 3iu3 n ASN 135 Ca -0.18 -0.35 -0.20 0.00 -0.03 0.00 0.00 54.58 53.82 3iu3 n ASN 135 Cb 0.53 -2.76 -0.10 0.00 -0.61 0.00 0.00 39.78 36.84 3iu3 n ASN 135 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3iu3 s PHE 136 N -2.44 1.80 -0.11 3.10 -0.71 -0.31 -4.45 117.98 114.86 3iu3 s PHE 136 Ca 0.16 -0.68 -0.10 0.00 -1.04 0.00 0.00 56.93 55.26 3iu3 s PHE 136 Cb -0.02 -0.96 0.03 0.00 -1.21 0.00 0.00 43.02 40.85 3iu3 s PHE 136 CO 0.85 0.26 0.30 -0.47 -1.34 0.00 0.00 175.22 174.82 3iu3 s TYR 137 N -3.06 -0.32 0.64 3.49 6.14 -0.72 -0.37 117.35 123.16 3iu3 s TYR 137 Ca 0.27 0.77 -0.09 0.00 0.64 0.00 0.00 57.07 58.66 3iu3 s TYR 137 Cb 0.02 0.11 0.14 0.00 0.42 0.00 0.00 41.96 42.66 3iu3 s TYR 137 CO 0.09 -0.17 0.88 -0.35 0.64 0.00 0.00 175.55 176.65 3iu3 n PRO 138 N 2.85 -0.64 -0.18 4.97 -0.04 -1.26 -2.16 135.00 138.54 3iu3 n PRO 138 Ca -0.13 -1.58 -0.01 0.00 -0.04 0.00 0.00 63.50 61.74 3iu3 n PRO 138 Cb 0.58 -0.83 0.23 0.00 -0.04 0.00 0.00 33.50 33.44 3iu3 n PRO 138 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3iu3 h ARG 139 N 0.00 0.93 -5.99 0.54 1.12 -1.99 -3.43 114.38 105.56 3iu3 h ARG 139 Ca -0.29 -0.10 -0.62 0.00 -1.11 0.00 0.00 59.98 57.87 3iu3 h ARG 139 Cb 0.85 -0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 30.61 3iu3 h ARG 139 CO 0.22 0.68 1.47 -1.91 -3.11 0.00 0.00 179.97 177.33 3iu3 n GLU 140 N -4.37 1.67 -3.83 0.20 2.13 -1.26 -4.93 120.64 110.25 3iu3 n GLU 140 Ca 0.07 0.46 -0.12 0.00 0.66 0.00 0.00 57.16 58.22 3iu3 n GLU 140 Cb 0.10 -2.98 -0.11 0.00 0.27 0.00 0.00 31.44 28.72 3iu3 n GLU 140 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3iu3 s ALA 141 N 7.98 -0.47 -0.14 4.31 0.00 -1.26 -4.58 121.76 127.59 3iu3 s ALA 141 Ca 1.04 0.23 -0.01 0.00 0.00 0.00 0.00 51.96 53.22 3iu3 s ALA 141 Cb -0.51 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 3iu3 s ALA 141 CO 0.40 -0.17 -0.10 0.21 0.00 0.00 0.00 175.76 176.09 3iu3 s LYS 142 N -0.75 3.43 -0.06 0.00 2.20 -0.15 -4.99 119.74 119.42 3iu3 s LYS 142 Ca -0.08 -0.65 0.05 0.00 -0.36 0.00 0.00 55.97 54.92 3iu3 s LYS 142 Cb -0.05 -2.72 -0.00 0.00 -1.51 0.00 0.00 37.83 33.54 3iu3 s LYS 142 CO 0.01 0.17 -0.21 0.08 -0.36 0.00 0.00 175.35 175.05 3iu3 s VAL 143 N 0.48 1.75 0.08 4.02 1.01 -1.26 -0.46 120.40 126.02 3iu3 s VAL 143 Ca -0.08 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.07 3iu3 s VAL 143 Cb -0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3iu3 s VAL 143 CO 0.04 0.49 -0.13 -1.10 0.00 0.00 0.00 175.10 174.40 3iu3 s GLN 144 N 0.05 0.82 -0.09 2.72 -0.21 -0.15 -4.96 119.66 117.84 3iu3 s GLN 144 Ca -0.07 -0.98 -0.02 0.00 0.02 0.00 0.00 55.36 54.32 3iu3 s GLN 144 Cb -0.14 -0.78 -0.03 0.00 1.00 0.00 0.00 33.01 33.06 3iu3 s GLN 144 CO 0.04 0.17 -0.01 -1.58 -2.12 0.00 0.00 175.29 171.78 3iu3 s TRP 145 N -1.43 3.10 -0.09 0.91 0.52 -1.26 -0.32 118.94 120.38 3iu3 s TRP 145 Ca -0.01 0.11 -0.02 0.00 0.02 0.00 0.00 56.10 56.19 3iu3 s TRP 145 Cb -0.09 -1.80 0.04 0.00 -1.15 0.00 0.00 33.47 30.47 3iu3 s TRP 145 CO 0.02 0.38 0.04 0.15 0.02 0.00 0.00 176.95 177.57 3iu3 s LYS 146 N -0.71 0.24 -0.24 4.98 1.02 -0.76 -0.64 119.74 123.64 3iu3 s LYS 146 Ca 0.11 0.14 -0.07 0.00 0.02 0.00 0.00 55.97 56.16 3iu3 s LYS 146 Cb -0.12 -1.04 -0.03 0.00 -0.52 0.00 0.00 37.83 36.13 3iu3 s LYS 146 CO 0.02 -0.41 0.06 0.08 -0.92 0.00 0.00 175.35 174.19 3iu3 s VAL 147 N 2.07 4.32 -1.60 3.17 1.01 -0.57 -1.12 120.40 127.69 3iu3 s VAL 147 Ca 0.04 -0.17 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 3iu3 s VAL 147 Cb -0.13 -3.01 0.11 0.00 0.00 0.00 0.00 36.38 33.35 3iu3 s VAL 147 CO -0.05 0.36 0.84 0.47 0.00 0.00 0.00 175.10 176.71 3iu3 n ASP 148 N 4.75 -3.64 -1.53 3.32 8.00 -0.62 -0.80 116.55 126.03 3iu3 n ASP 148 Ca -0.16 -0.91 -0.16 0.00 0.71 0.00 0.00 54.79 54.27 3iu3 n ASP 148 Cb 0.52 -3.28 -0.04 0.00 -0.02 0.00 0.00 41.12 38.30 3iu3 n ASP 148 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3iu3 n ASN 149 N -2.76 -4.84 -4.33 -2.24 3.02 -1.26 -5.02 115.26 97.82 3iu3 n ASN 149 Ca 0.02 0.18 -0.36 0.00 -0.03 0.00 0.00 54.58 54.39 3iu3 n ASN 149 Cb 0.52 -3.86 -0.13 0.00 -0.61 0.00 0.00 39.78 35.71 3iu3 n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iu3 s ALA 150 N -2.70 2.97 -0.02 5.41 0.00 0.02 -5.08 121.76 122.36 3iu3 s ALA 150 Ca 0.00 -1.32 -0.30 0.00 0.00 0.00 0.00 51.96 50.34 3iu3 s ALA 150 Cb 0.00 -1.96 -0.06 0.00 0.00 0.00 0.00 23.12 21.10 3iu3 s ALA 150 CO 0.00 -0.70 1.66 -1.17 0.00 0.00 0.00 175.76 175.56 3iu3 s LEU 151 N 1.49 4.34 0.07 0.00 2.96 -1.26 -1.51 118.68 124.78 3iu3 s LEU 151 Ca 0.04 2.32 -0.14 0.00 -0.22 0.00 0.00 54.13 56.13 3iu3 s LEU 151 Cb -0.16 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 3iu3 s LEU 151 CO 0.00 -0.91 0.46 -1.10 -1.32 0.00 0.00 176.35 173.48 3iu3 s GLN 152 N 3.66 3.92 -0.06 1.98 -1.52 0.19 -4.98 119.66 122.84 3iu3 s GLN 152 Ca 0.74 0.40 -0.14 0.00 -1.95 0.00 0.00 55.36 54.41 3iu3 s GLN 152 Cb -0.35 -3.07 0.03 0.00 -0.22 0.00 0.00 33.01 29.40 3iu3 s GLN 152 CO 0.31 0.58 0.33 -1.54 -0.25 0.00 0.00 175.29 174.73 3iu3 s SER 153 N -1.48 -0.27 0.00 5.90 1.04 -1.26 -4.49 113.70 113.14 3iu3 s SER 153 Ca 0.31 0.35 0.00 0.00 0.48 0.00 0.00 55.95 57.09 3iu3 s SER 153 Cb -0.16 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3iu3 s SER 153 CO 0.17 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.68 3iu3 n GLY 154 N 1.92 2.82 0.86 7.32 0.00 -1.26 -4.89 105.19 111.94 3iu3 n GLY 154 Ca -0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.87 3iu3 n GLY 154 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3iu3 n ASN 155 N 0.00 2.78 -3.92 1.61 6.94 -1.26 -4.99 115.26 116.42 3iu3 n ASN 155 Ca 0.00 -3.47 -0.10 0.00 -0.02 0.00 0.00 54.58 50.99 3iu3 n ASN 155 Cb 0.00 -0.57 -0.12 0.00 -2.36 0.00 0.00 39.78 36.73 3iu3 n ASN 155 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3iu3 s SER 156 N -2.49 0.11 0.04 0.53 1.04 -1.26 -2.63 113.70 109.03 3iu3 s SER 156 Ca 0.41 -0.24 0.06 0.00 0.48 0.00 0.00 55.95 56.66 3iu3 s SER 156 Cb 0.36 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 3iu3 s SER 156 CO 0.02 -0.18 -0.16 -1.10 0.98 0.00 0.00 173.24 172.80 3iu3 s GLN 157 N -0.83 1.07 0.04 4.02 -0.21 -1.05 -4.96 119.66 117.75 3iu3 s GLN 157 Ca -0.09 -0.81 0.05 0.00 0.02 0.00 0.00 55.36 54.53 3iu3 s GLN 157 Cb -0.06 -1.12 -0.04 0.00 1.00 0.00 0.00 33.01 32.80 3iu3 s GLN 157 CO -0.00 0.28 -0.08 -1.21 -2.12 0.00 0.00 175.29 172.15 3iu3 s GLU 158 N -1.14 2.38 -0.02 2.91 2.02 -1.26 -1.69 118.70 121.90 3iu3 s GLU 158 Ca 0.03 -0.85 0.03 0.00 0.02 0.00 0.00 54.97 54.21 3iu3 s GLU 158 Cb -0.08 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.74 3iu3 s GLU 158 CO 0.01 0.56 -0.09 0.45 0.02 0.00 0.00 175.26 176.21 3iu3 s SER 159 N -1.70 1.20 -0.08 -0.19 0.15 -0.40 -5.00 113.70 107.68 3iu3 s SER 159 Ca 0.19 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.67 3iu3 s SER 159 Cb -0.11 -0.27 0.01 0.00 -1.71 0.00 0.00 66.02 63.95 3iu3 s SER 159 CO 0.10 0.08 -0.12 -0.69 1.20 0.00 0.00 173.24 173.81 3iu3 s VAL 160 N 0.07 1.18 0.86 4.45 1.01 -1.26 -1.15 120.40 125.57 3iu3 s VAL 160 Ca -0.01 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 3iu3 s VAL 160 Cb -0.07 -1.09 0.11 0.00 0.00 0.00 0.00 36.38 35.33 3iu3 s VAL 160 CO 0.00 0.37 1.09 0.42 0.00 0.00 0.00 175.10 176.99 3iu3 s THR 161 N 0.83 2.78 0.84 3.92 -4.23 -0.86 -5.02 115.64 113.89 3iu3 s THR 161 Ca -0.11 0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.53 3iu3 s THR 161 Cb -0.15 -2.83 0.09 0.00 1.34 0.00 0.00 72.50 70.95 3iu3 s THR 161 CO 0.02 -0.33 1.09 -1.61 -0.54 0.00 0.00 174.62 173.25 3iu3 s GLU 162 N -5.01 1.76 0.05 3.99 0.41 -1.26 -4.65 118.70 113.99 3iu3 s GLU 162 Ca 0.63 0.73 -0.34 0.00 -0.41 0.00 0.00 54.97 55.57 3iu3 s GLU 162 Cb -0.17 -1.87 -0.13 0.00 -1.78 0.00 0.00 34.13 30.18 3iu3 s GLU 162 CO 0.56 -1.87 1.70 1.04 -0.49 0.00 0.00 175.26 176.20 3iu3 n GLN 163 N -3.61 2.12 -1.71 1.61 6.02 -1.26 -4.78 117.38 115.77 3iu3 n GLN 163 Ca 0.07 0.77 -0.39 0.00 -0.01 0.00 0.00 57.00 57.44 3iu3 n GLN 163 Cb 0.56 -2.56 0.04 0.00 1.02 0.00 0.00 30.24 29.30 3iu3 n GLN 163 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3iu3 n ASP 164 N 4.75 2.23 0.22 1.08 2.03 -0.70 -4.89 116.55 121.27 3iu3 n ASP 164 Ca 0.19 0.95 0.10 0.00 0.52 0.00 0.00 54.79 56.56 3iu3 n ASP 164 Cb 0.29 -1.52 0.48 0.00 -0.72 0.00 0.00 41.12 39.64 3iu3 n ASP 164 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3iu3 h SER 165 N 1.27 0.00 0.00 1.67 4.64 -1.92 -2.77 113.55 116.44 3iu3 h SER 165 Ca -0.50 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.63 3iu3 h SER 165 Cb 1.32 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.38 3iu3 h SER 165 CO 0.56 0.23 -1.61 0.29 -0.87 0.00 0.00 176.83 175.43 3iu3 n LYS 166 N -3.44 0.25 -0.03 4.77 4.76 -1.26 -4.73 118.16 118.48 3iu3 n LYS 166 Ca -0.00 0.11 -0.03 0.00 -2.87 0.00 0.00 58.31 55.52 3iu3 n LYS 166 Cb 0.41 -0.92 0.21 0.00 -1.84 0.00 0.00 35.03 32.89 3iu3 n LYS 166 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 3iu3 h ASP 167 N -0.42 0.58 -1.51 4.39 5.19 -1.98 -3.47 116.42 119.20 3iu3 h ASP 167 Ca -0.29 -0.16 -0.33 0.00 -0.62 0.00 0.00 57.03 55.63 3iu3 h ASP 167 Cb 1.23 -0.16 -0.08 0.00 0.18 0.00 0.00 39.33 40.50 3iu3 h ASP 167 CO -0.17 0.73 -0.36 -1.20 -3.12 0.00 0.00 179.24 175.12 3iu3 n SER 168 N -4.19 -4.93 -5.00 6.45 7.64 -1.04 -4.98 113.62 107.56 3iu3 n SER 168 Ca 0.01 0.21 -0.18 0.00 1.01 0.00 0.00 58.87 59.92 3iu3 n SER 168 Cb 0.34 -3.95 0.02 0.00 -1.01 0.00 0.00 64.21 59.60 3iu3 n SER 168 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3iu3 s THR 169 N -2.71 2.70 0.13 0.44 -4.23 -1.26 -4.67 115.64 106.04 3iu3 s THR 169 Ca 0.00 -1.04 0.10 0.00 -1.18 0.00 0.00 61.69 59.57 3iu3 s THR 169 Cb 0.00 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 3iu3 s THR 169 CO 0.00 0.00 -0.22 -0.31 -0.54 0.00 0.00 174.62 173.55 3iu3 s TYR 170 N -2.46 2.42 0.09 3.99 2.02 0.50 -1.72 117.35 122.19 3iu3 s TYR 170 Ca 0.56 -0.32 0.08 0.00 -0.37 0.00 0.00 57.07 57.02 3iu3 s TYR 170 Cb -0.08 -1.29 -0.03 0.00 -0.40 0.00 0.00 41.96 40.16 3iu3 s TYR 170 CO 0.34 0.37 -0.21 -1.12 -1.57 0.00 0.00 175.55 173.36 3iu3 s SER 171 N -2.14 2.57 -0.02 2.29 0.01 -1.26 -1.17 113.70 113.98 3iu3 s SER 171 Ca 0.16 -0.64 -0.01 0.00 1.31 0.00 0.00 55.95 56.78 3iu3 s SER 171 Cb -0.10 -0.17 0.03 0.00 0.21 0.00 0.00 66.02 65.99 3iu3 s SER 171 CO 0.08 0.10 0.05 -0.22 0.41 0.00 0.00 173.24 173.66 3iu3 s LEU 172 N -1.68 1.21 -0.03 2.44 0.20 0.16 -2.04 118.68 118.93 3iu3 s LEU 172 Ca 0.07 0.08 0.03 0.00 0.69 0.00 0.00 54.13 55.01 3iu3 s LEU 172 Cb -0.10 0.03 -0.03 0.00 -0.43 0.00 0.00 46.19 45.66 3iu3 s LEU 172 CO 0.04 -0.11 -0.12 -0.94 -0.29 0.00 0.00 176.35 174.93 3iu3 s SER 173 N 0.85 4.24 -0.06 3.68 1.04 -0.30 0.66 113.70 123.82 3iu3 s SER 173 Ca -0.07 -0.18 0.05 0.00 0.48 0.00 0.00 55.95 56.24 3iu3 s SER 173 Cb -0.10 -0.93 -0.01 0.00 0.10 0.00 0.00 66.02 65.09 3iu3 s SER 173 CO -0.03 0.33 -0.22 -0.55 0.98 0.00 0.00 173.24 173.75 3iu3 s SER 174 N -0.95 2.68 -0.13 7.02 0.15 0.20 -1.27 113.70 121.40 3iu3 s SER 174 Ca 0.13 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.35 3iu3 s SER 174 Cb -0.11 -0.79 0.01 0.00 -1.71 0.00 0.00 66.02 63.43 3iu3 s SER 174 CO 0.03 0.20 -0.18 -0.89 1.20 0.00 0.00 173.24 173.59 3iu3 s THR 175 N -0.03 1.76 -0.33 6.45 2.01 -0.68 0.14 115.64 124.95 3iu3 s THR 175 Ca -0.05 -0.79 -0.15 0.00 0.31 0.00 0.00 61.69 61.01 3iu3 s THR 175 Cb -0.13 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.78 3iu3 s THR 175 CO 0.03 0.49 0.35 -0.22 -0.69 0.00 0.00 174.62 174.59 3iu3 s LEU 176 N 0.96 4.40 -0.23 4.42 0.20 0.13 -2.53 118.68 126.04 3iu3 s LEU 176 Ca -0.06 -0.20 -0.05 0.00 0.69 0.00 0.00 54.13 54.52 3iu3 s LEU 176 Cb -0.15 -2.33 -0.01 0.00 -0.43 0.00 0.00 46.19 43.28 3iu3 s LEU 176 CO -0.03 -0.31 -0.01 -0.89 -0.29 0.00 0.00 176.35 174.82 3iu3 s THR 177 N 2.00 3.59 0.03 3.68 2.01 -1.08 -0.23 115.64 125.63 3iu3 s THR 177 Ca 0.11 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.60 3iu3 s THR 177 Cb -0.17 -2.67 -0.01 0.00 0.01 0.00 0.00 72.50 69.66 3iu3 s THR 177 CO 0.11 0.36 0.05 -0.76 -0.69 0.00 0.00 174.62 173.70 3iu3 s LEU 178 N 1.50 1.97 0.56 4.42 1.43 -0.36 -4.88 118.68 123.31 3iu3 s LEU 178 Ca 0.05 -0.50 -0.19 0.00 -1.03 0.00 0.00 54.13 52.46 3iu3 s LEU 178 Cb -0.15 0.41 -0.05 0.00 0.03 0.00 0.00 46.19 46.43 3iu3 s LEU 178 CO -0.01 -0.42 1.15 -0.94 0.23 0.00 0.00 176.35 176.36 3iu3 s SER 179 N -1.83 5.58 0.47 2.29 1.04 -1.26 0.06 113.70 120.04 3iu3 s SER 179 Ca -0.09 2.25 0.26 0.00 0.48 0.00 0.00 55.95 58.84 3iu3 s SER 179 Cb -0.05 -2.59 1.29 0.00 0.10 0.00 0.00 66.02 64.78 3iu3 s SER 179 CO -0.03 -1.32 1.82 0.50 0.98 0.00 0.00 173.24 175.19 3iu3 h LYS 180 N 1.13 0.21 0.63 4.02 3.64 -1.45 -0.39 116.57 124.36 3iu3 h LYS 180 Ca -0.50 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.83 3iu3 h LYS 180 Cb 1.27 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.05 3iu3 h LYS 180 CO 0.56 0.14 -0.30 0.00 -2.27 0.00 0.00 179.45 177.58 3iu3 h ALA 181 N 1.55 -0.85 -0.52 5.00 0.00 -1.91 -2.18 119.26 120.35 3iu3 h ALA 181 Ca 0.53 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.29 3iu3 h ALA 181 Cb 1.67 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 19.74 3iu3 h ALA 181 CO -0.14 -0.92 0.23 -0.44 0.00 0.00 0.00 179.25 177.98 3iu3 h ASP 182 N -0.96 0.30 -0.17 0.00 3.32 -1.57 -1.80 116.42 115.54 3iu3 h ASP 182 Ca -0.09 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.05 3iu3 h ASP 182 Cb 0.69 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 3iu3 h ASP 182 CO 0.14 0.20 -0.11 0.22 -1.72 0.00 0.00 179.24 177.98 3iu3 h TYR 183 N 0.45 -0.26 0.00 4.55 3.20 -1.11 -2.20 116.97 121.60 3iu3 h TYR 183 Ca 0.24 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 3iu3 h TYR 183 Cb 0.20 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 3iu3 h TYR 183 CO -0.13 -0.16 -0.08 0.93 -1.64 0.00 0.00 178.16 177.08 3iu3 h GLU 184 N -0.10 0.00 0.00 1.82 5.08 -1.15 -2.86 114.58 117.37 3iu3 h GLU 184 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3iu3 h GLU 184 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3iu3 h GLU 184 CO -0.23 0.08 0.00 1.63 -1.00 0.00 0.00 179.01 179.49 3iu3 n LYS 185 N -3.21 0.13 -4.39 2.33 5.02 -0.70 -4.83 118.16 112.51 3iu3 n LYS 185 Ca 0.00 0.19 -0.21 0.00 -2.02 0.00 0.00 58.31 56.28 3iu3 n LYS 185 Cb 0.35 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.76 3iu3 n LYS 185 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3iu3 s HIS 186 N -2.74 1.68 0.08 2.13 3.76 -1.08 -5.09 115.29 114.03 3iu3 s HIS 186 Ca 0.11 -1.31 0.00 0.00 -0.15 0.00 0.00 55.06 53.71 3iu3 s HIS 186 Cb 0.10 -0.97 0.00 0.00 1.11 0.00 0.00 32.58 32.82 3iu3 s HIS 186 CO 0.24 -0.42 0.00 1.17 -0.85 0.00 0.00 174.74 174.88 3iu3 n LYS 187 N -0.67 0.00 -3.74 1.40 3.00 -1.26 -4.81 118.16 112.08 3iu3 n LYS 187 Ca -0.01 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.94 3iu3 n LYS 187 Cb 0.65 -0.43 -0.09 0.00 0.00 0.00 0.00 35.03 35.16 3iu3 n LYS 187 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3iu3 s VAL 188 N -2.00 5.21 -0.26 3.15 1.01 -1.26 -0.05 120.40 126.20 3iu3 s VAL 188 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.11 3iu3 s VAL 188 Cb 0.00 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 33.02 3iu3 s VAL 188 CO 0.00 0.38 -0.09 -0.31 0.00 0.00 0.00 175.10 175.09 3iu3 s TYR 189 N 0.82 3.15 -0.08 5.22 1.51 -0.58 -1.59 117.35 125.81 3iu3 s TYR 189 Ca 0.07 -1.94 0.03 0.00 -1.01 0.00 0.00 57.07 54.21 3iu3 s TYR 189 Cb -0.13 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.70 3iu3 s TYR 189 CO 0.02 -0.82 -0.16 0.00 -1.11 0.00 0.00 175.55 173.49 3iu3 s ALA 190 N 1.22 2.55 -0.25 3.71 0.00 -0.27 -1.96 121.76 126.75 3iu3 s ALA 190 Ca -0.04 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 50.90 3iu3 s ALA 190 Cb -0.18 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 3iu3 s ALA 190 CO -0.05 0.43 0.03 0.00 0.00 0.00 0.00 175.76 176.17 3iu3 s GLU 192 N 1.55 3.05 -0.15 0.00 2.12 0.57 -0.67 118.70 125.17 3iu3 s GLU 192 Ca 0.06 -0.87 -0.03 0.00 0.36 0.00 0.00 54.97 54.49 3iu3 s GLU 192 Cb -0.15 -3.25 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 3iu3 s GLU 192 CO 0.01 -0.41 -0.05 0.08 -0.54 0.00 0.00 175.26 174.34 3iu3 s VAL 193 N 1.45 3.77 -0.17 3.70 1.01 0.19 -0.98 120.40 129.37 3iu3 s VAL 193 Ca 0.02 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3iu3 s VAL 193 Cb -0.17 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.60 3iu3 s VAL 193 CO 0.00 0.50 -0.13 -0.89 0.00 0.00 0.00 175.10 174.58 3iu3 s THR 194 N 0.29 1.64 -0.02 3.92 2.01 0.40 -0.89 115.64 122.99 3iu3 s THR 194 Ca -0.04 -0.79 -0.16 0.00 0.31 0.00 0.00 61.69 61.01 3iu3 s THR 194 Cb -0.14 -1.59 0.03 0.00 0.01 0.00 0.00 72.50 70.80 3iu3 s THR 194 CO 0.03 0.37 0.34 -2.28 -0.69 0.00 0.00 174.62 172.40 3iu3 s HIS 195 N 1.44 -0.22 0.29 4.92 2.46 -1.26 -0.98 115.29 121.93 3iu3 s HIS 195 Ca 0.03 0.34 0.04 0.00 0.47 0.00 0.00 55.06 55.94 3iu3 s HIS 195 Cb -0.14 0.13 0.70 0.00 -0.13 0.00 0.00 32.58 33.13 3iu3 s HIS 195 CO -0.10 -0.41 1.75 0.37 -2.47 0.00 0.00 174.74 173.88 3iu3 h GLN 196 N 3.78 0.61 0.00 2.88 4.15 -1.93 -1.86 115.11 122.75 3iu3 h GLN 196 Ca -0.29 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.09 3iu3 h GLN 196 Cb 1.17 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.72 3iu3 h GLN 196 CO 0.40 0.41 0.00 0.41 -1.93 0.00 0.00 178.83 178.12 3iu3 n GLY 197 N -1.33 -0.78 3.52 2.39 0.00 -1.26 -4.79 105.19 102.94 3iu3 n GLY 197 Ca 0.22 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 3iu3 n GLY 197 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iu3 s LEU 198 N -2.07 2.74 -1.30 0.99 1.02 -0.70 -4.61 118.68 114.75 3iu3 s LEU 198 Ca 0.34 -0.98 -0.14 0.00 0.02 0.00 0.00 54.13 53.37 3iu3 s LEU 198 Cb 0.16 -1.21 0.12 0.00 0.02 0.00 0.00 46.19 45.28 3iu3 s LEU 198 CO 0.28 -0.01 1.78 -1.54 0.02 0.00 0.00 176.35 176.88 3iu3 n SER 199 N -0.71 4.85 -4.72 2.29 3.41 -1.26 -4.80 113.62 112.67 3iu3 n SER 199 Ca -0.05 -2.97 -0.35 0.00 -0.26 0.00 0.00 58.87 55.23 3iu3 n SER 199 Cb 0.60 -1.61 0.08 0.00 -0.26 0.00 0.00 64.21 63.03 3iu3 n SER 199 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3iu3 s SER 200 N 2.74 4.37 -0.18 4.04 0.01 -1.26 -4.50 113.70 118.91 3iu3 s SER 200 Ca 0.46 2.47 -0.11 0.00 1.31 0.00 0.00 55.95 60.08 3iu3 s SER 200 Cb 0.05 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.63 3iu3 s SER 200 CO 0.00 -2.15 0.18 -2.16 0.41 0.00 0.00 173.24 169.52 3iu3 s PRO 201 N -3.67 4.15 0.01 12.44 0.04 -1.26 -5.07 135.00 141.63 3iu3 s PRO 201 Ca 0.78 -0.12 -0.17 0.00 0.04 0.00 0.00 61.00 61.53 3iu3 s PRO 201 Cb -0.33 -3.40 -0.06 0.00 0.04 0.00 0.00 34.50 30.75 3iu3 s PRO 201 CO 0.43 0.33 0.47 0.08 0.04 0.00 0.00 177.00 178.34 3iu3 s VAL 202 N 0.26 4.96 -0.18 -0.36 1.01 -0.07 -4.84 120.40 121.18 3iu3 s VAL 202 Ca 0.11 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.07 3iu3 s VAL 202 Cb -0.12 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.49 3iu3 s VAL 202 CO 0.00 0.54 -0.16 -0.89 0.00 0.00 0.00 175.10 174.58 3iu3 s THR 203 N -0.84 2.42 -0.20 3.92 2.01 -1.26 0.55 115.64 122.23 3iu3 s THR 203 Ca 0.26 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.39 3iu3 s THR 203 Cb -0.17 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 3iu3 s THR 203 CO 0.15 0.51 -0.02 -0.75 -0.69 0.00 0.00 174.62 173.82 3iu3 s LYS 204 N 1.20 3.51 0.20 4.92 2.47 0.15 -4.95 119.74 127.24 3iu3 s LYS 204 Ca 0.02 -0.57 -0.01 0.00 -1.56 0.00 0.00 55.97 53.86 3iu3 s LYS 204 Cb -0.14 -3.03 -0.04 0.00 -1.46 0.00 0.00 37.83 33.16 3iu3 s LYS 204 CO -0.08 -0.06 0.11 -1.54 0.16 0.00 0.00 175.35 173.94 3iu3 s SER 205 N 1.16 0.39 -0.07 1.43 1.04 -1.26 -0.14 113.70 116.25 3iu3 s SER 205 Ca 0.02 -1.35 -0.17 0.00 0.48 0.00 0.00 55.95 54.94 3iu3 s SER 205 Cb -0.15 0.32 0.04 0.00 0.10 0.00 0.00 66.02 66.33 3iu3 s SER 205 CO 0.00 -0.79 0.40 0.72 0.98 0.00 0.00 173.24 174.56 3iu3 s PHE 206 N -4.05 -0.35 0.10 5.02 -0.71 -0.83 -5.01 117.98 112.16 3iu3 s PHE 206 Ca 0.35 0.69 -0.24 0.00 -1.04 0.00 0.00 56.93 56.70 3iu3 s PHE 206 Cb 0.07 0.16 -0.07 0.00 -1.21 0.00 0.00 43.02 41.98 3iu3 s PHE 206 CO 0.10 -0.37 0.72 -0.80 -1.34 0.00 0.00 175.22 173.54 3iu3 s ASN 207 N -0.78 7.25 0.00 1.98 -0.87 -1.26 -1.52 114.94 119.74 3iu3 s ASN 207 Ca -0.09 1.49 0.00 0.00 -1.57 0.00 0.00 52.86 52.69 3iu3 s ASN 207 Cb -0.04 -2.46 0.00 0.00 -0.02 0.00 0.00 41.25 38.74 3iu3 s ASN 207 CO 0.04 0.16 0.47 -1.14 -2.57 0.00 0.00 177.10 174.06