#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iu3 s LEU 2 N 0.00 3.75 -0.34 1.08 1.02 -1.26 -0.68 118.68 122.25 3iu3 s LEU 2 Ca 0.00 -1.84 -0.09 0.00 0.02 0.00 0.00 54.13 52.21 3iu3 s LEU 2 Cb 0.00 -1.37 0.01 0.00 0.02 0.00 0.00 46.19 44.85 3iu3 s LEU 2 CO 0.00 -0.36 0.16 -1.10 0.02 0.00 0.00 176.35 175.07 3iu3 s GLN 3 N 1.16 3.01 0.20 1.70 -1.52 0.22 -4.22 119.66 120.21 3iu3 s GLN 3 Ca 0.07 -0.94 -0.07 0.00 -1.95 0.00 0.00 55.36 52.47 3iu3 s GLN 3 Cb -0.19 -3.59 -0.06 0.00 -0.22 0.00 0.00 33.01 28.95 3iu3 s GLN 3 CO -0.12 -0.56 0.48 -0.65 -0.25 0.00 0.00 175.29 174.18 3iu3 s GLN 4 N 1.55 3.70 0.97 2.91 -0.21 -1.26 0.25 119.66 127.57 3iu3 s GLN 4 Ca 0.03 0.08 -0.11 0.00 0.02 0.00 0.00 55.36 55.38 3iu3 s GLN 4 Cb -0.18 -2.73 0.17 0.00 1.00 0.00 0.00 33.01 31.27 3iu3 s GLN 4 CO 0.05 0.37 1.10 -1.54 -2.12 0.00 0.00 175.29 173.15 3iu3 s SER 5 N -2.50 2.62 1.11 5.90 1.04 -0.75 -4.96 113.70 116.15 3iu3 s SER 5 Ca 0.44 1.86 -0.18 0.00 0.48 0.00 0.00 55.95 58.56 3iu3 s SER 5 Cb -0.11 -2.43 0.25 0.00 0.10 0.00 0.00 66.02 63.82 3iu3 s SER 5 CO 0.24 -3.23 1.18 -0.83 0.98 0.00 0.00 173.24 171.57 3iu3 s GLY 6 N -2.82 1.65 -0.01 7.32 0.00 -1.26 -4.61 107.32 107.59 3iu3 s GLY 6 Ca 0.66 -1.00 -0.30 0.00 0.00 0.00 0.00 44.72 44.08 3iu3 s GLY 6 CO 0.59 -0.17 1.78 -1.59 0.00 0.00 0.00 173.10 173.72 3iu3 s THR 7 N -3.31 3.33 0.03 0.90 2.01 -1.26 -4.73 115.64 112.61 3iu3 s THR 7 Ca 0.71 0.42 -0.01 0.00 0.31 0.00 0.00 61.69 63.12 3iu3 s THR 7 Cb -0.08 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 3iu3 s THR 7 CO 0.55 -0.04 0.19 0.68 -0.69 0.00 0.00 174.62 175.31 3iu3 s VAL 8 N 4.18 5.36 0.08 3.82 -7.23 -0.91 -5.01 120.40 120.69 3iu3 s VAL 8 Ca 0.80 -0.30 0.10 0.00 -1.81 0.00 0.00 61.98 60.77 3iu3 s VAL 8 Cb -0.37 -3.56 -0.03 0.00 0.56 0.00 0.00 36.38 32.97 3iu3 s VAL 8 CO 0.35 0.23 -0.27 -0.76 -0.31 0.00 0.00 175.10 174.34 3iu3 s LEU 9 N -2.22 2.23 0.08 1.32 1.02 -1.26 -2.58 118.68 117.28 3iu3 s LEU 9 Ca 0.31 -0.65 -0.21 0.00 0.02 0.00 0.00 54.13 53.60 3iu3 s LEU 9 Cb -0.13 -1.26 0.05 0.00 0.02 0.00 0.00 46.19 44.87 3iu3 s LEU 9 CO 0.23 0.23 0.49 0.00 0.02 0.00 0.00 176.35 177.32 3iu3 s ALA 10 N -0.91 -1.25 0.10 4.21 0.00 -0.63 -4.97 121.76 118.31 3iu3 s ALA 10 Ca 0.13 0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.53 3iu3 s ALA 10 Cb -0.10 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 3iu3 s ALA 10 CO 0.04 -0.57 0.09 1.03 0.00 0.00 0.00 175.76 176.34 3iu3 s ARG 11 N -2.96 2.86 0.13 0.00 0.52 -1.26 -1.28 118.95 116.95 3iu3 s ARG 11 Ca -0.02 -0.74 -0.34 0.00 -0.52 0.00 0.00 55.73 54.11 3iu3 s ARG 11 Cb -0.00 -2.70 -0.14 0.00 0.52 0.00 0.00 34.95 32.63 3iu3 s ARG 11 CO -0.06 0.55 1.59 -2.30 0.02 0.00 0.00 175.30 175.10 3iu3 n PRO 12 N 0.30 2.06 0.00 3.54 -0.02 -1.26 -1.90 135.00 137.72 3iu3 n PRO 12 Ca -0.09 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3iu3 n PRO 12 Cb 0.52 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3iu3 n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iu3 n GLY 13 N 3.44 2.87 0.75 -1.23 0.00 0.11 -4.89 105.19 106.25 3iu3 n GLY 13 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 3iu3 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iu3 n ALA 14 N -1.95 -0.43 -2.72 4.61 0.00 -0.80 -3.87 120.51 115.36 3iu3 n ALA 14 Ca 0.00 -0.34 -0.17 0.00 0.00 0.00 0.00 53.44 52.92 3iu3 n ALA 14 Cb 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 19.45 19.30 3iu3 n ALA 14 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3iu3 s SER 15 N -2.02 1.23 -0.02 0.00 0.01 -1.26 -1.93 113.70 109.70 3iu3 s SER 15 Ca 0.15 -0.39 0.01 0.00 1.31 0.00 0.00 55.95 57.03 3iu3 s SER 15 Cb -0.01 -0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.17 3iu3 s SER 15 CO 0.11 -0.01 -0.02 -0.69 0.41 0.00 0.00 173.24 173.03 3iu3 s VAL 16 N -0.80 0.28 -0.25 3.43 1.01 -0.56 -4.99 120.40 118.53 3iu3 s VAL 16 Ca -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 3iu3 s VAL 16 Cb -0.07 -0.31 0.03 0.00 0.00 0.00 0.00 36.38 36.02 3iu3 s VAL 16 CO 0.01 0.14 -0.05 -0.75 0.00 0.00 0.00 175.10 174.44 3iu3 s LYS 17 N 0.61 2.84 0.15 2.72 2.20 -1.26 -0.48 119.74 126.51 3iu3 s LYS 17 Ca -0.06 -0.98 0.08 0.00 -0.36 0.00 0.00 55.97 54.64 3iu3 s LYS 17 Cb -0.10 -3.02 -0.04 0.00 -1.51 0.00 0.00 37.83 33.16 3iu3 s LYS 17 CO -0.01 -0.41 -0.06 0.00 -0.36 0.00 0.00 175.35 174.51 3iu3 s MET 18 N 1.33 2.21 0.31 4.03 0.23 -0.94 -4.96 119.30 121.51 3iu3 s MET 18 Ca 0.00 -1.11 0.09 0.00 -1.03 0.00 0.00 55.69 53.64 3iu3 s MET 18 Cb -0.17 -2.29 -0.06 0.00 -1.53 0.00 0.00 34.83 30.78 3iu3 s MET 18 CO -0.04 0.47 -0.12 -1.54 -2.03 0.00 0.00 175.02 171.77 3iu3 s SER 19 N -2.63 3.43 -0.24 -1.18 1.04 -1.26 -1.45 113.70 111.41 3iu3 s SER 19 Ca 0.25 -1.15 -0.04 0.00 0.48 0.00 0.00 55.95 55.49 3iu3 s SER 19 Cb -0.10 -0.29 0.08 0.00 0.10 0.00 0.00 66.02 65.82 3iu3 s SER 19 CO 0.16 -0.17 0.11 0.00 0.98 0.00 0.00 173.24 174.32 3iu3 s LYS 21 N 2.09 3.93 0.25 0.00 2.36 0.14 -0.31 119.74 128.20 3iu3 s LYS 21 Ca 0.06 0.34 -0.04 0.00 -2.55 0.00 0.00 55.97 53.78 3iu3 s LYS 21 Cb -0.16 -3.72 -0.05 0.00 -1.05 0.00 0.00 37.83 32.85 3iu3 s LYS 21 CO -0.25 -0.56 0.50 0.00 1.55 0.00 0.00 175.35 176.59 3iu3 s ALA 22 N 2.62 3.68 -0.10 3.13 0.00 0.37 -0.61 121.76 130.85 3iu3 s ALA 22 Ca 0.26 -0.61 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 3iu3 s ALA 22 Cb -0.15 -2.22 0.10 0.00 0.00 0.00 0.00 23.12 20.86 3iu3 s ALA 22 CO 0.11 0.34 0.87 -1.54 0.00 0.00 0.00 175.76 175.54 3iu3 s SER 23 N -3.06 -0.48 0.00 0.00 1.04 0.14 -4.83 113.70 106.52 3iu3 s SER 23 Ca 0.43 0.48 0.00 0.00 0.48 0.00 0.00 55.95 57.34 3iu3 s SER 23 Cb -0.11 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.41 3iu3 s SER 23 CO 0.29 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.65 3iu3 n GLY 24 N 0.71 0.62 3.70 7.32 0.00 -1.26 -4.34 105.19 111.93 3iu3 n GLY 24 Ca -0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 3iu3 n GLY 24 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3iu3 s TYR 25 N -2.42 -0.01 -0.42 1.61 1.13 -1.26 -5.12 117.35 110.86 3iu3 s TYR 25 Ca 0.00 -0.39 -0.28 0.00 -1.41 0.00 0.00 57.07 54.99 3iu3 s TYR 25 Cb 0.00 0.48 -0.00 0.00 -1.10 0.00 0.00 41.96 41.34 3iu3 s TYR 25 CO 0.00 -1.09 1.59 -1.12 -2.51 0.00 0.00 175.55 172.42 3iu3 s SER 26 N -2.94 6.05 0.37 -0.18 0.01 -1.26 -4.89 113.70 110.86 3iu3 s SER 26 Ca 0.14 0.88 0.07 0.00 1.31 0.00 0.00 55.95 58.35 3iu3 s SER 26 Cb -0.03 -2.53 0.72 0.00 0.21 0.00 0.00 66.02 64.38 3iu3 s SER 26 CO 0.05 -1.66 1.90 0.15 0.41 0.00 0.00 173.24 174.10 3iu3 h PHE 27 N 11.93 0.37 0.00 2.43 3.57 -1.96 -2.89 116.94 130.40 3iu3 h PHE 27 Ca -0.29 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.17 3iu3 h PHE 27 Cb 1.13 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.76 3iu3 h PHE 27 CO 0.98 0.43 0.00 1.79 -2.23 0.00 0.00 178.31 179.28 3iu3 h THR 28 N 0.34 0.00 0.00 4.41 1.35 -1.90 -3.33 112.91 113.78 3iu3 h THR 28 Ca 0.07 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3iu3 h THR 28 Cb 0.34 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3iu3 h THR 28 CO 0.02 0.00 -0.31 0.03 -0.25 0.00 0.00 175.52 175.00 3iu3 h ARG 29 N 0.00 0.00 -6.49 4.72 2.47 -1.91 -3.05 114.38 110.11 3iu3 h ARG 29 Ca 0.00 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 58.08 3iu3 h ARG 29 Cb 0.95 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.13 3iu3 h ARG 29 CO 0.00 0.00 -0.74 0.71 0.56 0.00 0.00 179.97 180.50 3iu3 s TYR 30 N -3.19 2.62 0.44 3.04 2.02 -1.25 -5.07 117.35 115.96 3iu3 s TYR 30 Ca 0.07 -0.23 -0.17 0.00 -0.37 0.00 0.00 57.07 56.37 3iu3 s TYR 30 Cb 0.10 -1.30 -0.09 0.00 -0.40 0.00 0.00 41.96 40.27 3iu3 s TYR 30 CO 0.68 0.49 0.91 -1.58 -1.57 0.00 0.00 175.55 174.48 3iu3 s TRP 31 N -1.61 3.39 -0.22 2.71 0.52 -1.26 -4.34 118.94 118.13 3iu3 s TRP 31 Ca 0.24 1.44 -0.01 0.00 0.02 0.00 0.00 56.10 57.79 3iu3 s TRP 31 Cb -0.09 -2.74 0.06 0.00 -1.15 0.00 0.00 33.47 29.55 3iu3 s TRP 31 CO 0.14 -0.18 0.00 1.41 0.02 0.00 0.00 176.95 178.35 3iu3 s MET 32 N -3.55 1.06 0.27 4.98 1.75 -0.51 -2.21 119.30 121.09 3iu3 s MET 32 Ca 0.59 -0.70 -0.06 0.00 -1.25 0.00 0.00 55.69 54.26 3iu3 s MET 32 Cb -0.10 -2.31 -0.06 0.00 2.84 0.00 0.00 34.83 35.20 3iu3 s MET 32 CO 0.22 -0.64 0.55 -1.01 -0.65 0.00 0.00 175.02 173.49 3iu3 s HIS 33 N 1.65 3.46 -0.08 4.11 3.76 0.17 -1.45 115.29 126.91 3iu3 s HIS 33 Ca -0.02 0.71 0.04 0.00 -0.15 0.00 0.00 55.06 55.63 3iu3 s HIS 33 Cb -0.18 -2.15 0.00 0.00 1.11 0.00 0.00 32.58 31.37 3iu3 s HIS 33 CO -0.08 0.20 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.24 3iu3 s TRP 34 N -2.01 2.07 -0.04 1.40 0.52 -0.65 -0.56 118.94 119.67 3iu3 s TRP 34 Ca 0.45 -0.78 0.04 0.00 0.02 0.00 0.00 56.10 55.82 3iu3 s TRP 34 Cb -0.11 -1.41 -0.00 0.00 -1.15 0.00 0.00 33.47 30.80 3iu3 s TRP 34 CO 0.28 -0.33 -0.15 0.42 0.02 0.00 0.00 176.95 177.19 3iu3 s ILE 35 N 0.38 1.26 -0.13 2.03 1.09 0.52 -0.68 121.20 125.68 3iu3 s ILE 35 Ca -0.15 -0.62 -0.06 0.00 -1.10 0.00 0.00 60.65 58.73 3iu3 s ILE 35 Cb -0.16 -1.09 -0.04 0.00 -1.06 0.00 0.00 42.46 40.11 3iu3 s ILE 35 CO 0.06 0.37 0.08 -0.75 -0.10 0.00 0.00 174.94 174.60 3iu3 s LYS 36 N 0.12 3.46 -0.26 2.79 2.20 0.16 -0.99 119.74 127.22 3iu3 s LYS 36 Ca -0.05 -0.26 -0.04 0.00 -0.36 0.00 0.00 55.97 55.27 3iu3 s LYS 36 Cb -0.11 -3.09 0.09 0.00 -1.51 0.00 0.00 37.83 33.21 3iu3 s LYS 36 CO 0.02 0.63 0.11 -1.14 -0.36 0.00 0.00 175.35 174.61 3iu3 s GLN 37 N -0.62 0.24 0.26 4.03 0.74 -0.47 0.11 119.66 123.94 3iu3 s GLN 37 Ca 0.12 -0.48 -0.30 0.00 0.05 0.00 0.00 55.36 54.75 3iu3 s GLN 37 Cb -0.12 -1.43 -0.09 0.00 1.10 0.00 0.00 33.01 32.47 3iu3 s GLN 37 CO 0.02 -0.92 1.03 1.03 -0.55 0.00 0.00 175.29 175.90 3iu3 s ARG 38 N 2.05 4.73 -0.43 1.67 0.52 -1.25 -1.45 118.95 124.78 3iu3 s ARG 38 Ca 0.07 1.67 -0.43 0.00 -0.52 0.00 0.00 55.73 56.53 3iu3 s ARG 38 Cb -0.16 -3.23 -0.17 0.00 0.52 0.00 0.00 34.95 31.90 3iu3 s ARG 38 CO -0.28 0.33 1.93 -2.30 0.02 0.00 0.00 175.30 175.00 3iu3 n PRO 39 N 1.39 0.41 0.00 3.54 -0.02 -1.26 0.43 135.00 139.48 3iu3 n PRO 39 Ca -0.01 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3iu3 n PRO 39 Cb 0.46 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 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 5.79 2.53 0.95 -1.23 0.00 -1.26 -5.02 105.19 106.95 3iu3 n GLY 40 Ca 0.41 -0.56 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 3iu3 n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iu3 n GLN 41 N 0.00 -0.60 0.00 1.61 3.00 0.17 -5.10 117.38 116.45 3iu3 n GLN 41 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 57.00 56.49 3iu3 n GLN 41 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 30.24 29.88 3iu3 n GLN 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3iu3 n GLY 42 N 2.32 0.89 3.52 1.08 0.00 -1.26 -4.60 105.19 107.15 3iu3 n GLY 42 Ca 0.04 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 3iu3 n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iu3 s LEU 43 N 0.00 3.54 -0.11 0.99 1.43 -1.26 -3.97 118.68 119.30 3iu3 s LEU 43 Ca 0.00 -0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 3iu3 s LEU 43 Cb 0.00 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 3iu3 s LEU 43 CO 0.00 0.07 -0.05 -1.61 0.23 0.00 0.00 176.35 174.99 3iu3 s GLU 44 N 0.98 3.21 0.09 1.70 2.02 0.12 -4.94 118.70 121.87 3iu3 s GLU 44 Ca 0.03 -0.52 -0.30 0.00 0.02 0.00 0.00 54.97 54.20 3iu3 s GLU 44 Cb -0.14 -2.76 -0.05 0.00 0.10 0.00 0.00 34.13 31.28 3iu3 s GLU 44 CO 0.03 0.47 0.99 -0.46 0.02 0.00 0.00 175.26 176.31 3iu3 s TRP 45 N -0.27 3.74 -0.24 1.61 -0.00 -1.26 0.38 118.94 122.90 3iu3 s TRP 45 Ca 0.04 1.74 -0.16 0.00 -0.00 0.00 0.00 56.10 57.72 3iu3 s TRP 45 Cb -0.13 -3.11 -0.12 0.00 -0.00 0.00 0.00 33.47 30.12 3iu3 s TRP 45 CO 0.02 0.02 -0.20 -0.89 -0.00 0.00 0.00 176.95 175.90 3iu3 n ILE 46 N 3.09 1.52 -2.99 5.86 5.41 0.15 -4.67 119.36 127.72 3iu3 n ILE 46 Ca 0.04 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.61 3iu3 n ILE 46 Cb 0.49 -2.03 0.00 0.00 -0.71 0.00 0.00 39.64 37.39 3iu3 n ILE 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3iu3 n GLY 47 N 1.36 -1.35 3.20 7.39 0.00 -1.22 -0.76 105.19 113.81 3iu3 n GLY 47 Ca -0.39 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 3iu3 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iu3 s ALA 48 N -1.12 -0.59 -0.02 4.61 0.00 -0.21 -1.64 121.76 122.79 3iu3 s ALA 48 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.03 3iu3 s ALA 48 Cb 0.00 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.30 3iu3 s ALA 48 CO 0.00 -0.30 -0.03 -1.50 0.00 0.00 0.00 175.76 173.93 3iu3 s ILE 49 N -1.82 0.39 -0.40 0.00 2.07 -0.53 -1.98 121.20 118.93 3iu3 s ILE 49 Ca -0.11 -0.10 -0.09 0.00 -1.41 0.00 0.00 60.65 58.94 3iu3 s ILE 49 Cb -0.04 -0.40 0.06 0.00 0.13 0.00 0.00 42.46 42.21 3iu3 s ILE 49 CO 0.01 0.16 0.23 -0.47 -1.91 0.00 0.00 174.94 172.95 3iu3 s TYR 50 N 0.56 3.30 -0.69 3.50 5.04 -0.55 -1.42 117.35 127.07 3iu3 s TYR 50 Ca -0.06 -1.34 0.21 0.00 -2.44 0.00 0.00 57.07 53.44 3iu3 s TYR 50 Cb -0.10 -2.71 0.87 0.00 0.35 0.00 0.00 41.96 40.37 3iu3 s TYR 50 CO -0.00 -0.77 1.66 -2.30 -1.34 0.00 0.00 175.55 172.79 3iu3 n PRO 51 N 4.93 0.13 0.10 4.97 -0.02 -1.26 -2.67 135.00 141.18 3iu3 n PRO 51 Ca -0.11 0.32 -0.13 0.00 -2.02 0.00 0.00 63.50 61.56 3iu3 n PRO 51 Cb 0.44 -1.73 -0.08 0.00 -0.02 0.00 0.00 33.50 32.11 3iu3 n PRO 51 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3iu3 h GLY 52 N 2.73 -0.18 -7.29 -1.23 0.00 -1.83 -3.39 103.07 91.88 3iu3 h GLY 52 Ca 0.00 0.07 -0.52 0.00 0.00 0.00 0.00 47.33 46.88 3iu3 h GLY 52 CO 0.00 -0.07 -0.76 0.54 0.00 0.00 0.00 176.54 176.25 3iu3 s ASN 53 N -5.11 2.95 0.00 0.19 2.20 -1.20 -5.04 114.94 108.93 3iu3 s ASN 53 Ca -0.14 -0.83 -0.00 0.00 -0.94 0.00 0.00 52.86 50.94 3iu3 s ASN 53 Cb 0.05 -0.62 -0.00 0.00 -2.00 0.00 0.00 41.25 38.67 3iu3 s ASN 53 CO 0.65 -0.30 0.13 -0.24 -2.94 0.00 0.00 177.10 174.40 3iu3 n SER 54 N 5.03 -0.12 -4.59 3.54 2.88 -1.18 -4.65 113.62 114.52 3iu3 n SER 54 Ca -0.09 -0.60 -0.41 0.00 -1.33 0.00 0.00 58.87 56.44 3iu3 n SER 54 Cb 0.47 -0.03 -0.07 0.00 -0.75 0.00 0.00 64.21 63.83 3iu3 n SER 54 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3iu3 s ASP 55 N 1.53 6.47 0.03 -3.46 3.68 -1.09 -4.89 116.67 118.94 3iu3 s ASP 55 Ca 0.01 0.36 0.08 0.00 2.13 0.00 0.00 52.55 55.13 3iu3 s ASP 55 Cb 0.00 -2.32 -0.03 0.00 -1.45 0.00 0.00 42.92 39.12 3iu3 s ASP 55 CO 0.00 -0.48 -0.23 0.42 0.13 0.00 0.00 175.17 175.01 3iu3 s THR 56 N 2.58 2.37 -0.02 1.71 -4.23 -1.26 -1.49 115.64 115.31 3iu3 s THR 56 Ca 0.24 -1.26 0.05 0.00 -1.18 0.00 0.00 61.69 59.54 3iu3 s THR 56 Cb -0.15 -1.94 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 3iu3 s THR 56 CO 0.12 0.40 -0.15 -0.55 -0.54 0.00 0.00 174.62 173.90 3iu3 s SER 57 N -1.19 1.81 0.14 3.99 0.15 -0.84 -4.99 113.70 112.76 3iu3 s SER 57 Ca 0.12 -0.28 0.09 0.00 0.70 0.00 0.00 55.95 56.58 3iu3 s SER 57 Cb -0.10 -0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 63.91 3iu3 s SER 57 CO 0.02 0.18 -0.20 -0.31 1.20 0.00 0.00 173.24 174.13 3iu3 s TYR 58 N -0.28 1.88 0.18 3.44 2.02 -1.26 -1.05 117.35 122.28 3iu3 s TYR 58 Ca 0.04 -0.43 -0.30 0.00 -0.37 0.00 0.00 57.07 56.01 3iu3 s TYR 58 Cb -0.07 -0.98 -0.08 0.00 -0.40 0.00 0.00 41.96 40.44 3iu3 s TYR 58 CO -0.00 0.30 1.15 1.21 -1.57 0.00 0.00 175.55 176.63 3iu3 s ASN 59 N -2.33 7.17 0.34 2.29 3.84 0.06 -4.94 114.94 121.38 3iu3 s ASN 59 Ca 0.12 2.17 0.12 0.00 0.21 0.00 0.00 52.86 55.48 3iu3 s ASN 59 Cb -0.08 -2.61 1.06 0.00 -0.55 0.00 0.00 41.25 39.07 3iu3 s ASN 59 CO 0.06 -0.30 1.58 -0.61 -2.79 0.00 0.00 177.10 175.04 3iu3 h GLN 60 N 5.16 0.02 0.00 0.43 5.75 -1.94 -0.24 115.11 124.28 3iu3 h GLN 60 Ca -0.44 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 3iu3 h GLN 60 Cb 1.21 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.76 3iu3 h GLN 60 CO 0.73 0.01 0.00 1.63 -2.65 0.00 0.00 178.83 178.55 3iu3 n LYS 61 N -5.36 0.06 0.00 1.69 5.02 -1.26 -3.75 118.16 114.55 3iu3 n LYS 61 Ca 0.31 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 3iu3 n LYS 61 Cb 1.03 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.45 3iu3 n LYS 61 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3iu3 n PHE 62 N -1.69 0.00 -0.23 2.13 3.01 -0.11 -4.76 117.46 115.81 3iu3 n PHE 62 Ca 0.05 -0.11 -0.01 0.00 1.01 0.00 0.00 57.45 58.39 3iu3 n PHE 62 Cb 0.27 -0.01 0.10 0.00 -0.01 0.00 0.00 39.48 39.83 3iu3 n PHE 62 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3iu3 h GLU 63 N 0.00 0.62 0.00 -1.08 5.08 -1.62 0.11 114.58 117.68 3iu3 h GLU 63 Ca 0.00 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 3iu3 h GLU 63 Cb 0.12 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3iu3 h GLU 63 CO 0.00 0.41 -0.48 0.78 -1.00 0.00 0.00 179.01 178.72 3iu3 h GLY 64 N 0.63 0.00 0.45 -3.84 0.00 -1.87 -3.37 103.07 95.08 3iu3 h GLY 64 Ca 0.30 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.28 3iu3 h GLY 64 CO -0.21 0.00 -1.97 1.17 0.00 0.00 0.00 176.54 175.53 3iu3 n LYS 65 N -3.57 0.72 -4.93 4.80 3.00 -0.63 -4.81 118.16 112.73 3iu3 n LYS 65 Ca -0.00 0.29 -0.32 0.00 -0.00 0.00 0.00 58.31 58.27 3iu3 n LYS 65 Cb 0.57 -1.69 -0.13 0.00 0.00 0.00 0.00 35.03 33.78 3iu3 n LYS 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3iu3 s ALA 66 N -2.53 2.59 -0.09 3.14 0.00 0.28 -0.94 121.76 124.21 3iu3 s ALA 66 Ca -0.25 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.70 3iu3 s ALA 66 Cb 0.07 -0.90 0.02 0.00 0.00 0.00 0.00 23.12 22.32 3iu3 s ALA 66 CO 0.72 0.55 -0.09 0.21 0.00 0.00 0.00 175.76 177.16 3iu3 s LYS 67 N -0.76 1.51 -0.30 0.00 2.20 -0.33 -4.74 119.74 117.31 3iu3 s LYS 67 Ca 0.11 -0.29 -0.10 0.00 -0.36 0.00 0.00 55.97 55.34 3iu3 s LYS 67 Cb -0.11 -1.46 -0.02 0.00 -1.51 0.00 0.00 37.83 34.74 3iu3 s LYS 67 CO 0.01 -0.16 0.16 -0.51 -0.36 0.00 0.00 175.35 174.49 3iu3 s LEU 68 N 1.32 4.08 0.40 5.43 1.02 -1.26 -0.20 118.68 129.46 3iu3 s LEU 68 Ca -0.03 -0.42 0.07 0.00 0.02 0.00 0.00 54.13 53.78 3iu3 s LEU 68 Cb -0.14 -2.02 -0.07 0.00 0.02 0.00 0.00 46.19 43.97 3iu3 s LEU 68 CO -0.04 -0.17 0.00 0.42 0.02 0.00 0.00 176.35 176.59 3iu3 s THR 69 N 1.64 2.08 -0.19 5.49 -4.23 -0.92 -5.00 115.64 114.51 3iu3 s THR 69 Ca 0.05 -2.01 -0.16 0.00 -1.18 0.00 0.00 61.69 58.39 3iu3 s THR 69 Cb -0.17 -2.94 0.05 0.00 1.34 0.00 0.00 72.50 70.79 3iu3 s THR 69 CO 0.07 -0.04 0.50 0.00 -0.54 0.00 0.00 174.62 174.61 3iu3 s ALA 70 N -2.68 -1.25 -0.33 3.99 0.00 -1.26 -0.38 121.76 119.85 3iu3 s ALA 70 Ca 0.35 1.49 -0.07 0.00 0.00 0.00 0.00 51.96 53.73 3iu3 s ALA 70 Cb 0.08 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.36 3iu3 s ALA 70 CO 0.18 -0.25 0.11 0.08 0.00 0.00 0.00 175.76 175.88 3iu3 s VAL 71 N 0.50 3.92 0.27 0.00 1.01 -0.51 -4.99 120.40 120.60 3iu3 s VAL 71 Ca -0.02 -0.98 0.10 0.00 0.00 0.00 0.00 61.98 61.08 3iu3 s VAL 71 Cb -0.04 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 3iu3 s VAL 71 CO -0.02 -0.12 1.60 0.71 0.00 0.00 0.00 175.10 177.27 3iu3 h THR 72 N 6.06 1.46 0.00 3.92 1.35 -1.90 -2.04 112.91 121.75 3iu3 h THR 72 Ca -0.26 -2.17 -0.07 0.00 -0.55 0.00 0.00 66.41 63.36 3iu3 h THR 72 Cb 1.10 2.17 -0.01 0.00 -1.73 0.00 0.00 68.15 69.68 3iu3 h THR 72 CO 0.61 0.62 -0.34 0.77 -0.25 0.00 0.00 175.52 176.93 3iu3 h SER 73 N 0.00 0.00 0.00 5.36 4.64 -1.95 -2.77 113.55 118.83 3iu3 h SER 73 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3iu3 h SER 73 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3iu3 h SER 73 CO 0.08 0.34 -0.46 0.00 -0.87 0.00 0.00 176.83 175.92 3iu3 n ALA 74 N -2.36 3.53 -3.15 5.18 0.00 -1.16 -4.98 120.51 117.56 3iu3 n ALA 74 Ca -0.01 -0.63 -0.23 0.00 0.00 0.00 0.00 53.44 52.57 3iu3 n ALA 74 Cb 0.42 -0.81 0.02 0.00 0.00 0.00 0.00 19.45 19.08 3iu3 n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3iu3 n SER 75 N -0.05 -5.33 -4.26 0.00 7.64 -0.86 -4.80 113.62 105.95 3iu3 n SER 75 Ca 0.09 -0.33 -0.30 0.00 1.01 0.00 0.00 58.87 59.34 3iu3 n SER 75 Cb 0.46 -4.33 -0.16 0.00 -1.01 0.00 0.00 64.21 59.17 3iu3 n SER 75 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3iu3 s THR 76 N -3.10 1.92 -0.11 0.44 2.01 -0.83 -0.47 115.64 115.50 3iu3 s THR 76 Ca 0.34 -1.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.31 3iu3 s THR 76 Cb -0.16 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 3iu3 s THR 76 CO 0.43 0.54 -0.05 0.00 -0.69 0.00 0.00 174.62 174.85 3iu3 s ALA 77 N -0.38 3.03 0.27 7.40 0.00 0.58 -1.43 121.76 131.23 3iu3 s ALA 77 Ca 0.04 -0.85 0.11 0.00 0.00 0.00 0.00 51.96 51.27 3iu3 s ALA 77 Cb -0.11 -1.40 -0.05 0.00 0.00 0.00 0.00 23.12 21.56 3iu3 s ALA 77 CO 0.01 0.43 -0.15 0.71 0.00 0.00 0.00 175.76 176.75 3iu3 s TYR 78 N -0.33 2.39 -0.19 0.00 1.51 0.49 0.44 117.35 121.67 3iu3 s TYR 78 Ca 0.05 -0.30 -0.04 0.00 -1.01 0.00 0.00 57.07 55.77 3iu3 s TYR 78 Cb -0.12 -1.05 0.10 0.00 -0.11 0.00 0.00 41.96 40.77 3iu3 s TYR 78 CO 0.02 0.68 0.31 1.41 -1.11 0.00 0.00 175.55 176.86 3iu3 s MET 79 N -3.49 0.24 -0.06 -0.62 1.75 -0.53 -2.17 119.30 114.42 3iu3 s MET 79 Ca 0.30 0.58 -0.17 0.00 -1.25 0.00 0.00 55.69 55.16 3iu3 s MET 79 Cb -0.06 -0.42 -0.05 0.00 2.84 0.00 0.00 34.83 37.15 3iu3 s MET 79 CO 0.16 -0.48 0.45 -1.21 -0.65 0.00 0.00 175.02 173.28 3iu3 s GLU 80 N 2.46 4.16 -0.15 4.11 2.02 0.71 -2.22 118.70 129.78 3iu3 s GLU 80 Ca 0.06 0.44 -0.01 0.00 0.02 0.00 0.00 54.97 55.48 3iu3 s GLU 80 Cb -0.14 -3.33 -0.01 0.00 0.10 0.00 0.00 34.13 30.75 3iu3 s GLU 80 CO -0.12 0.42 -0.12 -0.51 0.02 0.00 0.00 175.26 174.95 3iu3 s LEU 81 N -0.23 2.68 0.23 1.80 1.02 0.37 -1.18 118.68 123.36 3iu3 s LEU 81 Ca 0.25 -0.38 0.07 0.00 0.02 0.00 0.00 54.13 54.09 3iu3 s LEU 81 Cb -0.16 -1.62 -0.04 0.00 0.02 0.00 0.00 46.19 44.39 3iu3 s LEU 81 CO 0.12 0.11 0.11 -0.44 0.02 0.00 0.00 176.35 176.26 3iu3 s SER 82 N 0.71 5.18 -0.41 2.29 0.01 -0.12 -1.49 113.70 119.87 3iu3 s SER 82 Ca -0.06 -0.34 -0.01 0.00 1.31 0.00 0.00 55.95 56.85 3iu3 s SER 82 Cb -0.15 -1.22 0.00 0.00 0.21 0.00 0.00 66.02 64.85 3iu3 s SER 82 CO 0.02 0.01 0.30 -1.54 0.41 0.00 0.00 173.24 172.44 3iu3 n SER 83 N -0.82 -2.41 -4.75 2.44 3.41 -0.81 -4.79 113.62 105.89 3iu3 n SER 83 Ca -0.08 -0.48 -0.41 0.00 -0.26 0.00 0.00 58.87 57.64 3iu3 n SER 83 Cb 0.57 -0.80 -0.04 0.00 -0.26 0.00 0.00 64.21 63.69 3iu3 n SER 83 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3iu3 s LEU 84 N -3.42 4.48 0.47 1.04 1.43 -0.82 -4.61 118.68 117.26 3iu3 s LEU 84 Ca 0.01 2.28 0.06 0.00 -1.03 0.00 0.00 54.13 55.45 3iu3 s LEU 84 Cb -0.00 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 3iu3 s LEU 84 CO 0.45 -0.31 0.26 0.28 0.23 0.00 0.00 176.35 177.26 3iu3 s THR 85 N -0.50 1.99 0.45 5.49 -1.32 -1.26 0.09 115.64 120.59 3iu3 s THR 85 Ca 0.50 -1.62 0.30 0.00 -1.21 0.00 0.00 61.69 59.66 3iu3 s THR 85 Cb -0.33 -2.62 0.33 0.00 -1.51 0.00 0.00 72.50 68.38 3iu3 s THR 85 CO 0.39 0.00 2.14 1.12 -2.21 0.00 0.00 174.62 176.06 3iu3 h HIS 86 N 1.15 0.00 0.00 9.09 2.07 -1.98 -2.00 115.15 123.48 3iu3 h HIS 86 Ca -0.41 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.11 3iu3 h HIS 86 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 3iu3 h HIS 86 CO 0.84 0.07 0.00 0.39 -3.07 0.00 0.00 177.93 176.16 3iu3 n GLU 87 N -3.57 0.68 0.09 5.12 1.02 -1.26 -2.19 120.64 120.54 3iu3 n GLU 87 Ca -0.02 0.01 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 3iu3 n GLU 87 Cb 0.19 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.10 3iu3 n GLU 87 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3iu3 n ASP 88 N -1.07 0.82 -4.53 1.62 8.00 -0.75 -4.84 116.55 115.80 3iu3 n ASP 88 Ca 0.17 0.32 -0.42 0.00 0.71 0.00 0.00 54.79 55.58 3iu3 n ASP 88 Cb 0.11 0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 41.63 3iu3 n ASP 88 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3iu3 n SER 89 N -2.68 2.16 -2.95 -2.24 7.64 -0.93 -4.84 113.62 109.78 3iu3 n SER 89 Ca -0.01 -0.06 -0.08 0.00 1.01 0.00 0.00 58.87 59.73 3iu3 n SER 89 Cb 0.58 -1.41 0.02 0.00 -1.01 0.00 0.00 64.21 62.39 3iu3 n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iu3 s ALA 90 N 9.86 -0.82 -0.16 -0.43 0.00 -0.91 -4.46 121.76 124.84 3iu3 s ALA 90 Ca 1.07 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 52.24 3iu3 s ALA 90 Cb -0.53 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 3iu3 s ALA 90 CO 0.37 -0.99 0.09 0.08 0.00 0.00 0.00 175.76 175.30 3iu3 s VAL 91 N -2.25 5.08 -0.14 0.00 1.01 -0.53 -0.71 120.40 122.86 3iu3 s VAL 91 Ca 0.16 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3iu3 s VAL 91 Cb -0.05 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 3iu3 s VAL 91 CO 0.11 0.52 -0.15 -0.31 0.00 0.00 0.00 175.10 175.27 3iu3 s TYR 92 N -0.19 2.77 -0.13 5.22 2.02 0.10 -1.37 117.35 125.78 3iu3 s TYR 92 Ca 0.09 -0.85 -0.01 0.00 -0.37 0.00 0.00 57.07 55.93 3iu3 s TYR 92 Cb -0.12 -1.85 -0.02 0.00 -0.40 0.00 0.00 41.96 39.58 3iu3 s TYR 92 CO 0.01 -0.34 -0.11 0.71 -1.57 0.00 0.00 175.55 174.24 3iu3 s TYR 93 N 0.55 2.85 0.11 2.71 2.02 -0.16 -0.83 117.35 124.60 3iu3 s TYR 93 Ca -0.10 -0.56 -0.09 0.00 -0.37 0.00 0.00 57.07 55.96 3iu3 s TYR 93 Cb -0.16 -1.86 -0.06 0.00 -0.40 0.00 0.00 41.96 39.48 3iu3 s TYR 93 CO 0.04 -0.16 0.42 0.00 -1.57 0.00 0.00 175.55 174.28 3iu3 s SER 95 N -1.99 -0.31 0.20 0.00 0.15 0.28 -0.82 113.70 111.21 3iu3 s SER 95 Ca 0.37 0.59 -0.25 0.00 0.70 0.00 0.00 55.95 57.35 3iu3 s SER 95 Cb -0.13 0.56 -0.08 0.00 -1.71 0.00 0.00 66.02 64.66 3iu3 s SER 95 CO 0.20 -0.12 0.81 -0.60 1.20 0.00 0.00 173.24 174.73 3iu3 s ARG 96 N 0.42 4.57 -0.29 5.44 3.52 -0.13 -0.65 118.95 131.83 3iu3 s ARG 96 Ca -0.02 1.19 -0.11 0.00 -0.13 0.00 0.00 55.73 56.65 3iu3 s ARG 96 Cb -0.04 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.13 3iu3 s ARG 96 CO -0.02 0.52 0.19 0.34 -0.81 0.00 0.00 175.30 175.52 3iu3 s ASP 97 N -1.25 5.92 0.00 -2.12 -1.08 -0.94 -2.76 116.67 114.44 3iu3 s ASP 97 Ca 0.39 -0.16 0.20 0.00 -0.52 0.00 0.00 52.55 52.46 3iu3 s ASP 97 Cb -0.22 -2.10 0.54 0.00 -1.46 0.00 0.00 42.92 39.68 3iu3 s ASP 97 CO 0.26 -0.10 1.45 0.00 0.52 0.00 0.00 175.17 177.30 3iu3 n TYR 98 N 5.05 0.47 0.00 -5.34 9.36 0.38 -4.47 117.16 122.61 3iu3 n TYR 98 Ca -0.14 -0.23 0.00 0.00 3.32 0.00 0.00 57.90 60.85 3iu3 n TYR 98 Cb 0.51 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.22 3iu3 n TYR 98 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3iu3 n GLY 99 N 1.33 2.05 0.28 2.98 0.00 -1.26 -4.48 105.19 106.08 3iu3 n GLY 99 Ca 0.18 -0.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 3iu3 n GLY 99 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3iu3 h TYR 100 N 0.00 0.84 -2.78 1.61 -1.99 -2.02 -3.47 116.97 109.17 3iu3 h TYR 100 Ca 0.00 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 3iu3 h TYR 100 Cb 0.00 -0.28 0.01 0.00 2.00 0.00 0.00 36.73 38.46 3iu3 h TYR 100 CO 0.00 0.49 0.22 2.48 -0.00 0.00 0.00 178.16 181.35 3iu3 n TYR 101 N -4.65 -2.08 -2.98 4.88 4.11 -1.26 -5.11 117.16 110.08 3iu3 n TYR 101 Ca 0.07 -1.46 -0.44 0.00 -0.00 0.00 0.00 57.90 56.08 3iu3 n TYR 101 Cb 0.07 0.73 -0.04 0.00 -0.00 0.00 0.00 39.34 40.10 3iu3 n TYR 101 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 3iu3 s PHE 102 N -3.64 2.83 0.10 -3.48 0.08 -1.26 -0.47 117.98 112.15 3iu3 s PHE 102 Ca 0.12 -0.67 0.02 0.00 0.12 0.00 0.00 56.93 56.52 3iu3 s PHE 102 Cb -0.04 -4.11 -0.23 0.00 -0.57 0.00 0.00 43.02 38.07 3iu3 s PHE 102 CO 0.09 -1.45 1.23 0.38 -0.10 0.00 0.00 175.22 175.37 3iu3 h ASP 103 N 9.36 0.20 -3.88 1.36 2.03 -1.89 -3.45 116.42 120.15 3iu3 h ASP 103 Ca -0.29 -0.21 -0.46 0.00 -0.73 0.00 0.00 57.03 55.34 3iu3 h ASP 103 Cb 1.08 -0.06 -0.31 0.00 -0.83 0.00 0.00 39.33 39.21 3iu3 h ASP 103 CO 1.13 1.15 -0.80 -0.36 -1.03 0.00 0.00 179.24 179.33 3iu3 s PHE 104 N -2.72 1.14 0.27 4.15 0.40 -1.26 -5.03 117.98 114.94 3iu3 s PHE 104 Ca -0.01 -0.29 0.10 0.00 -0.60 0.00 0.00 56.93 56.13 3iu3 s PHE 104 Cb 0.09 -0.79 -0.05 0.00 0.51 0.00 0.00 43.02 42.78 3iu3 s PHE 104 CO 0.85 -0.10 -0.14 -1.58 0.70 0.00 0.00 175.22 174.94 3iu3 s TRP 105 N 0.09 2.12 1.00 0.36 0.52 -1.26 -0.95 118.94 120.81 3iu3 s TRP 105 Ca -0.02 -0.48 -0.17 0.00 0.02 0.00 0.00 56.10 55.45 3iu3 s TRP 105 Cb -0.09 -1.04 0.21 0.00 -1.15 0.00 0.00 33.47 31.41 3iu3 s TRP 105 CO 0.01 0.53 1.29 0.20 0.02 0.00 0.00 176.95 179.00 3iu3 s GLY 106 N -3.47 1.75 0.06 0.98 0.00 -0.00 -4.69 107.32 101.95 3iu3 s GLY 106 Ca 0.29 -1.17 0.27 0.00 0.00 0.00 0.00 44.72 44.11 3iu3 s GLY 106 CO 0.13 -0.38 1.67 0.61 0.00 0.00 0.00 173.10 175.14 3iu3 n GLN 107 N -3.92 0.10 0.00 2.90 0.00 -1.26 -4.88 117.38 110.31 3iu3 n GLN 107 Ca 0.15 0.06 0.00 0.00 0.00 0.00 0.00 57.00 57.21 3iu3 n GLN 107 Cb 0.59 -1.59 0.00 0.00 0.00 0.00 0.00 30.24 29.24 3iu3 n GLN 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3iu3 n GLY 108 N 1.44 1.53 3.21 2.61 0.00 -1.26 -5.04 105.19 107.68 3iu3 n GLY 108 Ca 0.06 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 3iu3 n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iu3 s THR 109 N -2.13 2.21 -0.31 2.61 2.01 -0.01 -4.89 115.64 115.14 3iu3 s THR 109 Ca 0.00 -0.94 -0.15 0.00 0.31 0.00 0.00 61.69 60.90 3iu3 s THR 109 Cb 0.00 -1.88 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 3iu3 s THR 109 CO 0.00 0.55 0.38 -0.89 -0.69 0.00 0.00 174.62 173.97 3iu3 s THR 110 N 0.62 5.15 -0.15 -0.82 2.01 -1.26 0.01 115.64 121.20 3iu3 s THR 110 Ca -0.11 0.34 -0.08 0.00 0.31 0.00 0.00 61.69 62.15 3iu3 s THR 110 Cb -0.16 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 3iu3 s THR 110 CO 0.03 0.02 0.13 -0.22 -0.69 0.00 0.00 174.62 173.89 3iu3 s LEU 111 N 2.09 4.30 -0.09 4.42 0.20 0.11 -2.14 118.68 127.58 3iu3 s LEU 111 Ca 0.14 0.37 0.01 0.00 0.69 0.00 0.00 54.13 55.34 3iu3 s LEU 111 Cb -0.16 -2.07 0.02 0.00 -0.43 0.00 0.00 46.19 43.55 3iu3 s LEU 111 CO 0.11 0.32 -0.09 -0.89 -0.29 0.00 0.00 176.35 175.51 3iu3 s THR 112 N -0.49 1.01 -0.27 3.68 2.01 -1.06 -2.14 115.64 118.38 3iu3 s THR 112 Ca 0.12 -0.34 0.01 0.00 0.31 0.00 0.00 61.69 61.79 3iu3 s THR 112 Cb -0.12 -0.99 0.05 0.00 0.01 0.00 0.00 72.50 71.46 3iu3 s THR 112 CO 0.02 0.35 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.54 3iu3 s VAL 113 N 1.21 2.55 0.17 3.82 1.01 -1.26 -1.61 120.40 126.28 3iu3 s VAL 113 Ca -0.05 -1.48 -0.20 0.00 0.00 0.00 0.00 61.98 60.25 3iu3 s VAL 113 Cb -0.14 -2.46 0.05 0.00 0.00 0.00 0.00 36.38 33.83 3iu3 s VAL 113 CO -0.02 -0.03 0.55 -0.94 0.00 0.00 0.00 175.10 174.65 3iu3 s SER 114 N 1.18 -0.42 -0.06 3.32 1.04 -0.41 -4.44 113.70 113.92 3iu3 s SER 114 Ca -0.07 -0.20 0.07 0.00 0.48 0.00 0.00 55.95 56.24 3iu3 s SER 114 Cb -0.19 0.58 0.30 0.00 0.10 0.00 0.00 66.02 66.80 3iu3 s SER 114 CO -0.04 -0.98 1.07 -1.54 0.98 0.00 0.00 173.24 172.73 3iu3 n SER 115 N -0.34 2.43 -4.89 7.02 3.41 -1.26 -4.23 113.62 115.76 3iu3 n SER 115 Ca -0.15 -2.24 -0.30 0.00 -0.26 0.00 0.00 58.87 55.92 3iu3 n SER 115 Cb 0.64 -0.45 -0.04 0.00 -0.26 0.00 0.00 64.21 64.11 3iu3 n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iu3 s ALA 116 N -1.67 3.51 0.19 7.33 0.00 -1.26 -5.10 121.76 124.75 3iu3 s ALA 116 Ca 0.21 -0.37 0.07 0.00 0.00 0.00 0.00 51.96 51.87 3iu3 s ALA 116 Cb 0.14 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 3iu3 s ALA 116 CO 0.09 0.19 0.02 -1.54 0.00 0.00 0.00 175.76 174.52 3iu3 s SER 117 N -3.02 4.84 -0.44 0.00 1.04 -1.26 -5.03 113.70 109.83 3iu3 s SER 117 Ca 0.47 -0.39 -0.32 0.00 0.48 0.00 0.00 55.95 56.19 3iu3 s SER 117 Cb -0.11 -1.05 -0.11 0.00 0.10 0.00 0.00 66.02 64.85 3iu3 s SER 117 CO 0.29 0.07 2.30 0.41 0.98 0.00 0.00 173.24 177.29 3iu3 n THR 118 N -0.27 0.13 -4.70 2.02 -1.04 -1.26 -4.64 114.28 104.51 3iu3 n THR 118 Ca -0.09 -0.36 -0.30 0.00 -2.04 0.00 0.00 64.05 61.25 3iu3 n THR 118 Cb 0.56 -1.85 -0.13 0.00 -1.82 0.00 0.00 70.33 67.09 3iu3 n THR 118 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3iu3 s LYS 119 N 6.99 1.97 0.12 -2.82 2.20 -0.22 -4.94 119.74 123.05 3iu3 s LYS 119 Ca 1.09 -1.03 -0.14 0.00 -0.36 0.00 0.00 55.97 55.53 3iu3 s LYS 119 Cb -0.71 -2.12 -0.07 0.00 -1.51 0.00 0.00 37.83 33.42 3iu3 s LYS 119 CO 0.43 0.53 0.53 0.20 -0.36 0.00 0.00 175.35 176.67 3iu3 s GLY 120 N -1.43 2.47 0.53 5.54 0.00 -1.26 -1.85 107.32 111.31 3iu3 s GLY 120 Ca 0.14 -0.15 -0.22 0.00 0.00 0.00 0.00 44.72 44.50 3iu3 s GLY 120 CO 0.05 0.15 1.29 2.56 0.00 0.00 0.00 173.10 177.14 3iu3 s PRO 121 N -1.82 3.28 -0.13 2.90 0.04 -1.26 -4.72 135.00 133.28 3iu3 s PRO 121 Ca 0.36 2.06 -0.14 0.00 0.04 0.00 0.00 61.00 63.31 3iu3 s PRO 121 Cb -0.15 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 32.09 3iu3 s PRO 121 CO 0.19 -1.02 0.32 -1.12 0.04 0.00 0.00 177.00 175.40 3iu3 s SER 122 N -1.15 6.51 -0.25 6.66 0.01 -0.26 -4.93 113.70 120.29 3iu3 s SER 122 Ca 0.70 0.60 -0.02 0.00 1.31 0.00 0.00 55.95 58.55 3iu3 s SER 122 Cb -0.36 -2.20 0.03 0.00 0.21 0.00 0.00 66.02 63.70 3iu3 s SER 122 CO 0.42 0.14 -0.06 -0.69 0.41 0.00 0.00 173.24 173.46 3iu3 s VAL 123 N 0.19 2.90 -0.01 3.43 1.01 -1.26 -0.52 120.40 126.13 3iu3 s VAL 123 Ca 0.18 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3iu3 s VAL 123 Cb -0.14 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3iu3 s VAL 123 CO 0.06 0.19 -0.05 -0.36 0.00 0.00 0.00 175.10 174.94 3iu3 s PHE 124 N 1.33 2.95 0.22 5.22 0.08 -0.03 -4.94 117.98 122.81 3iu3 s PHE 124 Ca 0.00 0.01 -0.30 0.00 0.12 0.00 0.00 56.93 56.76 3iu3 s PHE 124 Cb -0.17 -1.64 -0.08 0.00 -0.57 0.00 0.00 43.02 40.55 3iu3 s PHE 124 CO -0.04 0.40 0.97 -1.25 -0.10 0.00 0.00 175.22 175.19 3iu3 s PRO 125 N -1.36 4.80 -0.76 0.24 0.04 -1.26 0.03 135.00 136.73 3iu3 s PRO 125 Ca 0.17 1.53 -0.15 0.00 0.04 0.00 0.00 61.00 62.59 3iu3 s PRO 125 Cb -0.11 -3.29 0.19 0.00 0.04 0.00 0.00 34.50 31.33 3iu3 s PRO 125 CO 0.07 0.41 0.73 -0.51 0.04 0.00 0.00 177.00 177.74 3iu3 s LEU 126 N -0.97 6.49 0.21 -3.56 1.43 0.58 -4.83 118.68 118.04 3iu3 s LEU 126 Ca 0.43 -2.41 -0.30 0.00 -1.03 0.00 0.00 54.13 50.81 3iu3 s LEU 126 Cb -0.26 -2.22 -0.10 0.00 0.03 0.00 0.00 46.19 43.64 3iu3 s LEU 126 CO 0.33 -0.68 1.42 0.00 0.23 0.00 0.00 176.35 177.65 3iu3 s ALA 127 N 0.71 3.62 0.23 4.21 0.00 -1.26 -2.57 121.76 126.70 3iu3 s ALA 127 Ca 0.15 1.26 -0.30 0.00 0.00 0.00 0.00 51.96 53.08 3iu3 s ALA 127 Cb -0.15 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.34 3iu3 s ALA 127 CO -0.06 -0.69 1.17 -2.14 0.00 0.00 0.00 175.76 174.05 3iu3 s PRO 128 N 0.04 4.53 0.23 0.00 0.02 -1.26 -4.93 135.00 133.64 3iu3 s PRO 128 Ca 0.61 1.87 -0.08 0.00 0.02 0.00 0.00 61.00 63.42 3iu3 s PRO 128 Cb -0.40 -3.21 -0.02 0.00 0.02 0.00 0.00 34.50 30.89 3iu3 s PRO 128 CO 0.39 0.01 0.35 -1.54 -0.33 0.00 0.00 177.00 175.88 3iu3 s SER 129 N -0.27 0.05 -0.92 2.53 1.04 -1.26 -4.65 113.70 110.21 3iu3 s SER 129 Ca 0.49 -1.13 -0.20 0.00 0.48 0.00 0.00 55.95 55.59 3iu3 s SER 129 Cb -0.33 0.51 -0.12 0.00 0.10 0.00 0.00 66.02 66.19 3iu3 s SER 129 CO 0.39 -1.03 1.99 -1.54 0.98 0.00 0.00 173.24 174.03 3iu3 n SER 130 N -0.39 2.81 0.00 7.02 3.41 -1.26 -0.97 113.62 124.24 3iu3 n SER 130 Ca -0.00 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.90 3iu3 n SER 130 Cb 0.63 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 3iu3 n SER 130 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3iu3 n LYS 131 N 6.86 0.00 -2.46 4.33 3.00 -1.26 -4.92 118.16 123.71 3iu3 n LYS 131 Ca 0.50 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.66 3iu3 n LYS 131 Cb 0.40 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.46 3iu3 n LYS 131 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3iu3 n SER 132 N 0.00 3.31 -4.30 3.14 3.41 -0.15 -5.07 113.62 113.97 3iu3 n SER 132 Ca 0.00 -3.08 -0.17 0.00 -0.26 0.00 0.00 58.87 55.37 3iu3 n SER 132 Cb 0.00 -0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 63.41 3iu3 n SER 132 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3iu3 s THR 133 N -4.31 1.48 -0.42 6.66 -4.23 -1.24 -0.42 115.64 113.16 3iu3 s THR 133 Ca 0.39 -2.08 0.11 0.00 -1.18 0.00 0.00 61.69 58.93 3iu3 s THR 133 Cb 0.39 -1.89 0.37 0.00 1.34 0.00 0.00 72.50 72.71 3iu3 s THR 133 CO -0.03 -0.61 0.83 -1.20 -0.54 0.00 0.00 174.62 173.06 3iu3 n SER 134 N -0.16 1.99 0.00 3.99 7.64 0.29 -4.99 113.62 122.38 3iu3 n SER 134 Ca -0.10 -3.17 0.00 0.00 1.01 0.00 0.00 58.87 56.61 3iu3 n SER 134 Cb 0.60 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 3iu3 n SER 134 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iu3 n GLY 135 N 0.07 1.18 0.30 0.23 0.00 -1.26 -3.83 105.19 101.89 3iu3 n GLY 135 Ca 0.25 0.38 -0.14 0.00 0.00 0.00 0.00 46.02 46.51 3iu3 n GLY 135 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3iu3 h GLY 136 N 0.00 -0.73 -5.09 -0.02 0.00 -1.96 -3.43 103.07 91.84 3iu3 h GLY 136 Ca 0.00 0.27 -0.63 0.00 0.00 0.00 0.00 47.33 46.97 3iu3 h GLY 136 CO 0.00 -0.27 -0.47 -0.51 0.00 0.00 0.00 176.54 175.29 3iu3 s THR 137 N -4.88 5.40 0.16 4.70 -4.23 -1.25 -0.16 115.64 115.38 3iu3 s THR 137 Ca -0.15 -0.15 0.11 0.00 -1.18 0.00 0.00 61.69 60.32 3iu3 s THR 137 Cb 0.02 -3.56 -0.04 0.00 1.34 0.00 0.00 72.50 70.26 3iu3 s THR 137 CO 0.51 0.29 -0.22 0.00 -0.54 0.00 0.00 174.62 174.65 3iu3 s ALA 138 N -1.36 2.57 -0.09 3.99 0.00 0.20 -0.55 121.76 126.52 3iu3 s ALA 138 Ca 0.29 -1.52 0.04 0.00 0.00 0.00 0.00 51.96 50.76 3iu3 s ALA 138 Cb -0.13 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 3iu3 s ALA 138 CO 0.20 0.49 -0.20 0.00 0.00 0.00 0.00 175.76 176.25 3iu3 s ALA 139 N -1.41 2.36 0.08 0.00 0.00 0.44 -1.03 121.76 122.19 3iu3 s ALA 139 Ca 0.19 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 3iu3 s ALA 139 Cb -0.09 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 3iu3 s ALA 139 CO 0.09 0.36 0.07 -0.48 0.00 0.00 0.00 175.76 175.80 3iu3 s LEU 140 N 0.03 1.98 0.00 0.00 0.05 -0.86 -4.46 118.68 115.41 3iu3 s LEU 140 Ca -0.08 -0.92 -0.05 0.00 0.05 0.00 0.00 54.13 53.14 3iu3 s LEU 140 Cb -0.15 0.52 0.02 0.00 -2.05 0.00 0.00 46.19 44.53 3iu3 s LEU 140 CO 0.05 -0.68 0.23 0.61 -0.55 0.00 0.00 176.35 176.01 3iu3 n GLY 141 N 0.01 0.92 3.12 -3.48 0.00 -1.06 -0.22 105.19 104.47 3iu3 n GLY 141 Ca -0.13 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 3iu3 n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iu3 s LEU 143 N 0.06 5.62 -0.58 0.00 2.96 0.10 -1.29 118.68 125.55 3iu3 s LEU 143 Ca -0.04 -1.42 -0.22 0.00 -0.22 0.00 0.00 54.13 52.23 3iu3 s LEU 143 Cb -0.11 -2.27 0.06 0.00 0.50 0.00 0.00 46.19 44.37 3iu3 s LEU 143 CO 0.02 -0.88 0.83 -0.69 -1.32 0.00 0.00 176.35 174.31 3iu3 s VAL 144 N 2.07 4.56 0.07 1.68 1.01 -0.06 -0.85 120.40 128.88 3iu3 s VAL 144 Ca 0.08 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 61.85 3iu3 s VAL 144 Cb -0.25 -4.51 -0.03 0.00 0.00 0.00 0.00 36.38 31.58 3iu3 s VAL 144 CO 0.06 -1.14 -0.24 -0.75 0.00 0.00 0.00 175.10 173.04 3iu3 s LYS 145 N 3.45 1.75 -0.76 2.72 2.20 0.32 -1.24 119.74 128.18 3iu3 s LYS 145 Ca 0.21 -1.15 -0.01 0.00 -0.36 0.00 0.00 55.97 54.66 3iu3 s LYS 145 Cb -0.17 -2.02 -0.01 0.00 -1.51 0.00 0.00 37.83 34.12 3iu3 s LYS 145 CO 0.13 0.50 0.71 -0.25 -0.36 0.00 0.00 175.35 176.08 3iu3 n ASP 146 N 1.42 -7.43 -4.10 1.43 8.00 -0.68 -1.10 116.55 114.08 3iu3 n ASP 146 Ca -0.17 -0.17 -0.13 0.00 0.71 0.00 0.00 54.79 55.04 3iu3 n ASP 146 Cb 0.52 -5.15 -0.11 0.00 -0.02 0.00 0.00 41.12 36.36 3iu3 n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3iu3 s TYR 147 N -3.06 0.77 -0.14 1.24 1.13 -0.79 -4.26 117.35 112.23 3iu3 s TYR 147 Ca 0.07 -0.61 -0.14 0.00 -1.41 0.00 0.00 57.07 54.98 3iu3 s TYR 147 Cb -0.01 -0.45 0.04 0.00 -1.10 0.00 0.00 41.96 40.44 3iu3 s TYR 147 CO 0.72 -0.09 0.39 0.12 -2.51 0.00 0.00 175.55 174.19 3iu3 s PHE 148 N -2.00 -0.43 0.00 -3.49 2.19 -0.77 -0.46 117.98 113.02 3iu3 s PHE 148 Ca -0.03 1.04 0.00 0.00 0.33 0.00 0.00 56.93 58.26 3iu3 s PHE 148 Cb -0.06 0.15 0.00 0.00 -1.31 0.00 0.00 43.02 41.80 3iu3 s PHE 148 CO -0.01 -0.22 0.00 -0.35 1.83 0.00 0.00 175.22 176.47 3iu3 n PRO 149 N 2.81 2.68 -2.54 10.12 -0.04 -1.26 -1.05 135.00 145.71 3iu3 n PRO 149 Ca -0.13 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.07 3iu3 n PRO 149 Cb 0.57 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.05 3iu3 n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3iu3 s GLU 150 N 1.73 3.04 0.59 0.54 2.02 -1.26 -4.74 118.70 120.62 3iu3 s GLU 150 Ca 0.00 -0.06 0.04 0.00 0.02 0.00 0.00 54.97 54.96 3iu3 s GLU 150 Cb 0.00 -2.34 0.07 0.00 0.10 0.00 0.00 34.13 31.96 3iu3 s GLU 150 CO 0.00 -0.55 0.82 -1.25 0.02 0.00 0.00 175.26 174.30 3iu3 s PRO 151 N -4.87 2.25 0.33 0.39 0.04 -1.26 -4.97 135.00 126.90 3iu3 s PRO 151 Ca 0.52 -1.16 0.08 0.00 0.04 0.00 0.00 61.00 60.48 3iu3 s PRO 151 Cb -0.10 -2.52 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 3iu3 s PRO 151 CO 0.44 -0.92 0.12 0.54 0.04 0.00 0.00 177.00 177.21 3iu3 s VAL 152 N -2.80 3.10 -0.09 -0.36 0.11 -1.26 -4.62 120.40 114.47 3iu3 s VAL 152 Ca 0.61 -1.73 0.01 0.00 -2.93 0.00 0.00 61.98 57.94 3iu3 s VAL 152 Cb -0.08 -2.96 0.02 0.00 -1.53 0.00 0.00 36.38 31.83 3iu3 s VAL 152 CO 0.40 -0.21 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.96 3iu3 s THR 153 N -2.41 1.13 -0.07 5.04 2.01 0.40 -4.98 115.64 116.75 3iu3 s THR 153 Ca 0.37 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 62.00 3iu3 s THR 153 Cb -0.03 -1.09 -0.00 0.00 0.01 0.00 0.00 72.50 71.39 3iu3 s THR 153 CO 0.22 0.37 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.60 3iu3 s VAL 154 N 1.19 1.98 0.05 3.82 1.01 -1.26 -0.44 120.40 126.76 3iu3 s VAL 154 Ca -0.04 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.88 3iu3 s VAL 154 Cb -0.14 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 3iu3 s VAL 154 CO -0.03 0.55 0.09 -0.94 0.00 0.00 0.00 175.10 174.77 3iu3 s SER 155 N 0.08 0.23 -0.07 3.32 1.04 -0.85 -4.98 113.70 112.48 3iu3 s SER 155 Ca -0.10 -0.66 0.02 0.00 0.48 0.00 0.00 55.95 55.69 3iu3 s SER 155 Cb -0.15 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 3iu3 s SER 155 CO 0.06 -0.58 -0.12 0.26 0.98 0.00 0.00 173.24 173.84 3iu3 s TRP 156 N -3.16 2.79 -1.22 5.02 0.52 -1.26 0.47 118.94 122.09 3iu3 s TRP 156 Ca -0.00 -0.18 -0.17 0.00 0.02 0.00 0.00 56.10 55.77 3iu3 s TRP 156 Cb 0.02 -1.69 -0.00 0.00 -1.15 0.00 0.00 33.47 30.65 3iu3 s TRP 156 CO -0.07 0.16 0.68 0.09 0.02 0.00 0.00 176.95 177.82 3iu3 n ASN 157 N 2.51 -3.75 -0.60 2.95 3.02 -0.30 -1.00 115.26 118.08 3iu3 n ASN 157 Ca -0.18 -1.05 -0.05 0.00 -0.03 0.00 0.00 54.58 53.27 3iu3 n ASN 157 Cb 0.52 -3.10 -0.02 0.00 -0.61 0.00 0.00 39.78 36.57 3iu3 n ASN 157 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3iu3 n SER 158 N -2.70 -3.44 0.00 6.41 7.64 -1.26 -0.87 113.62 119.39 3iu3 n SER 158 Ca -0.16 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.86 3iu3 n SER 158 Cb 0.61 -2.64 0.00 0.00 -1.01 0.00 0.00 64.21 61.17 3iu3 n SER 158 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iu3 n GLY 159 N 0.23 0.73 0.12 0.23 0.00 -0.17 -4.99 105.19 101.34 3iu3 n GLY 159 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 3iu3 n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iu3 h ALA 160 N 0.00 0.79 -2.79 4.61 0.00 -0.86 -3.42 119.26 117.58 3iu3 h ALA 160 Ca 0.00 -0.65 -0.65 0.00 0.00 0.00 0.00 54.91 53.61 3iu3 h ALA 160 Cb 0.00 -0.11 -0.17 0.00 0.00 0.00 0.00 17.79 17.51 3iu3 h ALA 160 CO 0.00 0.90 -0.42 -1.17 0.00 0.00 0.00 179.25 178.55 3iu3 s LEU 161 N -7.30 4.16 0.00 0.00 2.96 -1.13 -4.88 118.68 112.48 3iu3 s LEU 161 Ca -0.00 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 3iu3 s LEU 161 Cb 0.12 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.59 3iu3 s LEU 161 CO 0.78 -0.14 0.00 0.41 -1.32 0.00 0.00 176.35 176.07 3iu3 n THR 162 N 5.10 0.00 -1.97 3.68 -1.04 -1.26 -4.25 114.28 114.54 3iu3 n THR 162 Ca -0.12 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.47 3iu3 n THR 162 Cb 0.51 -0.58 -0.03 0.00 -1.82 0.00 0.00 70.33 68.41 3iu3 n THR 162 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3iu3 s SER 163 N -4.06 6.62 -0.05 8.00 0.15 -1.26 -2.65 113.70 120.45 3iu3 s SER 163 Ca 0.00 2.55 0.00 0.00 0.70 0.00 0.00 55.95 59.20 3iu3 s SER 163 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 3iu3 s SER 163 CO 0.00 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.24 3iu3 n GLY 164 N 3.77 0.47 3.74 9.45 0.00 -1.26 -4.79 105.19 116.56 3iu3 n GLY 164 Ca 0.14 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 3iu3 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iu3 s VAL 165 N -2.00 5.29 -0.14 1.61 1.01 -1.08 -1.65 120.40 123.44 3iu3 s VAL 165 Ca 0.00 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.58 3iu3 s VAL 165 Cb 0.00 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.76 3iu3 s VAL 165 CO 0.00 0.40 -0.14 -1.00 0.00 0.00 0.00 175.10 174.36 3iu3 s HIS 166 N 0.33 2.09 -0.28 5.22 3.76 0.21 -4.99 115.29 121.62 3iu3 s HIS 166 Ca 0.18 -1.13 -0.05 0.00 -0.15 0.00 0.00 55.06 53.90 3iu3 s HIS 166 Cb -0.13 -1.54 0.01 0.00 1.11 0.00 0.00 32.58 32.03 3iu3 s HIS 166 CO 0.05 -0.62 0.04 0.99 -0.85 0.00 0.00 174.74 174.35 3iu3 s THR 167 N 1.39 3.69 0.45 1.30 2.01 -1.26 0.16 115.64 123.37 3iu3 s THR 167 Ca 0.02 -0.77 -0.21 0.00 0.31 0.00 0.00 61.69 61.05 3iu3 s THR 167 Cb -0.13 -2.89 -0.10 0.00 0.01 0.00 0.00 72.50 69.38 3iu3 s THR 167 CO -0.09 0.12 0.98 -0.36 -0.69 0.00 0.00 174.62 174.58 3iu3 s PHE 168 N 1.46 3.22 0.39 4.92 0.40 -0.70 -4.99 117.98 122.67 3iu3 s PHE 168 Ca 0.02 1.60 -0.26 0.00 -0.60 0.00 0.00 56.93 57.69 3iu3 s PHE 168 Cb -0.17 -2.92 -0.11 0.00 0.51 0.00 0.00 43.02 40.33 3iu3 s PHE 168 CO 0.01 -0.34 1.20 -2.30 0.70 0.00 0.00 175.22 174.49 3iu3 n PRO 169 N -0.71 1.81 -1.83 0.24 -0.02 -1.26 -4.62 135.00 128.61 3iu3 n PRO 169 Ca 0.08 0.64 -0.39 0.00 -2.02 0.00 0.00 63.50 61.81 3iu3 n PRO 169 Cb 0.53 -2.25 0.02 0.00 -0.02 0.00 0.00 33.50 31.78 3iu3 n PRO 169 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iu3 s ALA 170 N -1.18 3.12 -0.21 3.55 0.00 -1.26 -4.82 121.76 120.97 3iu3 s ALA 170 Ca 0.60 1.39 -0.01 0.00 0.00 0.00 0.00 51.96 53.94 3iu3 s ALA 170 Cb -0.55 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.02 3iu3 s ALA 170 CO 0.59 -1.19 -0.13 0.08 0.00 0.00 0.00 175.76 175.12 3iu3 s VAL 171 N -1.24 2.59 -0.34 0.00 1.01 -0.31 -4.93 120.40 117.17 3iu3 s VAL 171 Ca 0.63 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 3iu3 s VAL 171 Cb -0.42 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 33.78 3iu3 s VAL 171 CO 0.53 0.42 1.39 -0.22 0.00 0.00 0.00 175.10 177.22 3iu3 s LEU 172 N 1.34 3.74 0.73 3.92 2.96 -1.26 -1.87 118.68 128.24 3iu3 s LEU 172 Ca 0.04 1.08 -0.11 0.00 -0.22 0.00 0.00 54.13 54.92 3iu3 s LEU 172 Cb -0.14 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.04 3iu3 s LEU 172 CO -0.08 -1.27 1.09 -1.10 -1.32 0.00 0.00 176.35 173.66 3iu3 s GLN 173 N 4.59 2.66 0.56 1.98 -0.21 0.81 -4.96 119.66 125.09 3iu3 s GLN 173 Ca 0.61 0.62 0.34 0.00 0.02 0.00 0.00 55.36 56.94 3iu3 s GLN 173 Cb -0.16 -1.99 1.59 0.00 1.00 0.00 0.00 33.01 33.45 3iu3 s GLN 173 CO 0.28 -1.21 2.08 0.66 -2.12 0.00 0.00 175.29 174.98 3iu3 h SER 174 N -0.79 0.00 0.23 5.90 4.64 -1.95 -1.66 113.55 119.92 3iu3 h SER 174 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3iu3 h SER 174 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3iu3 h SER 174 CO 0.61 0.05 0.00 -1.54 -0.87 0.00 0.00 176.83 175.08 3iu3 n SER 175 N -3.22 0.00 0.00 4.97 3.41 -1.26 -4.86 113.62 112.66 3iu3 n SER 175 Ca -0.01 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 3iu3 n SER 175 Cb 0.25 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3iu3 n SER 175 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iu3 n GLY 176 N 0.08 0.78 3.78 5.00 0.00 -0.62 -4.96 105.19 109.25 3iu3 n GLY 176 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 3iu3 n GLY 176 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iu3 s LEU 177 N 0.00 3.79 0.35 0.99 1.43 -1.25 -4.85 118.68 119.15 3iu3 s LEU 177 Ca 0.00 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 3iu3 s LEU 177 Cb 0.00 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 3iu3 s LEU 177 CO 0.00 0.12 0.57 -0.31 0.23 0.00 0.00 176.35 176.97 3iu3 s TYR 178 N -1.55 3.51 -0.24 0.29 2.02 0.39 -0.13 117.35 121.63 3iu3 s TYR 178 Ca 0.30 0.43 -0.21 0.00 -0.37 0.00 0.00 57.07 57.22 3iu3 s TYR 178 Cb -0.11 -1.96 0.06 0.00 -0.40 0.00 0.00 41.96 39.55 3iu3 s TYR 178 CO 0.23 0.09 0.64 0.45 -1.57 0.00 0.00 175.55 175.38 3iu3 s SER 179 N -3.94 -0.70 0.14 2.29 0.15 -0.78 -1.69 113.70 109.16 3iu3 s SER 179 Ca 0.41 1.30 -0.12 0.00 0.70 0.00 0.00 55.95 58.25 3iu3 s SER 179 Cb -0.10 1.30 0.01 0.00 -1.71 0.00 0.00 66.02 65.52 3iu3 s SER 179 CO 0.36 -0.22 0.32 -1.48 1.20 0.00 0.00 173.24 173.42 3iu3 s LEU 180 N 0.57 0.82 0.01 3.45 0.05 -0.37 -1.16 118.68 122.05 3iu3 s LEU 180 Ca -0.02 -0.62 0.07 0.00 0.05 0.00 0.00 54.13 53.62 3iu3 s LEU 180 Cb -0.05 1.45 -0.03 0.00 -2.05 0.00 0.00 46.19 45.52 3iu3 s LEU 180 CO -0.03 -0.86 -0.20 -0.44 -0.55 0.00 0.00 176.35 174.27 3iu3 s SER 181 N -2.88 3.58 -0.14 1.48 0.01 -1.26 -0.89 113.70 113.60 3iu3 s SER 181 Ca 0.09 -0.42 -0.02 0.00 1.31 0.00 0.00 55.95 56.91 3iu3 s SER 181 Cb 0.03 -0.54 -0.02 0.00 0.21 0.00 0.00 66.02 65.69 3iu3 s SER 181 CO -0.06 0.29 -0.07 -0.55 0.41 0.00 0.00 173.24 173.25 3iu3 s SER 182 N -1.11 4.52 0.03 2.44 0.15 -0.41 -1.71 113.70 117.60 3iu3 s SER 182 Ca 0.13 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.62 3iu3 s SER 182 Cb -0.10 -1.65 -0.02 0.00 -1.71 0.00 0.00 66.02 62.53 3iu3 s SER 182 CO 0.03 0.19 -0.08 0.54 1.20 0.00 0.00 173.24 175.12 3iu3 s VAL 183 N 0.22 0.58 -0.01 4.45 0.11 0.12 0.14 120.40 126.01 3iu3 s VAL 183 Ca -0.05 -0.92 -0.00 0.00 -2.93 0.00 0.00 61.98 58.08 3iu3 s VAL 183 Cb -0.14 -0.60 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 3iu3 s VAL 183 CO 0.04 -0.26 0.01 0.54 -3.33 0.00 0.00 175.10 172.10 3iu3 s VAL 184 N -1.10 -0.02 -0.21 2.04 0.11 0.69 0.64 120.40 122.54 3iu3 s VAL 184 Ca -0.07 0.06 -0.09 0.00 -2.93 0.00 0.00 61.98 58.95 3iu3 s VAL 184 Cb -0.08 -0.03 -0.05 0.00 -1.53 0.00 0.00 36.38 34.69 3iu3 s VAL 184 CO 0.00 0.02 0.11 0.42 -3.33 0.00 0.00 175.10 172.33 3iu3 s THR 185 N 0.30 5.09 0.24 5.04 -4.23 -0.66 -2.03 115.64 119.39 3iu3 s THR 185 Ca -0.02 0.08 0.06 0.00 -1.18 0.00 0.00 61.69 60.63 3iu3 s THR 185 Cb -0.04 -3.34 -0.05 0.00 1.34 0.00 0.00 72.50 70.41 3iu3 s THR 185 CO -0.01 0.40 -0.08 0.68 -0.54 0.00 0.00 174.62 175.08 3iu3 s VAL 186 N 0.76 1.54 0.43 2.29 -7.23 -0.20 -4.74 120.40 113.25 3iu3 s VAL 186 Ca 0.06 -2.13 -0.25 0.00 -1.81 0.00 0.00 61.98 57.85 3iu3 s VAL 186 Cb -0.13 -2.29 -0.08 0.00 0.56 0.00 0.00 36.38 34.44 3iu3 s VAL 186 CO 0.02 -0.41 1.33 -2.84 -0.31 0.00 0.00 175.10 172.89 3iu3 s PRO 187 N -3.73 3.84 0.35 4.82 0.02 -1.26 0.60 135.00 139.63 3iu3 s PRO 187 Ca 0.27 2.20 0.06 0.00 0.02 0.00 0.00 61.00 63.55 3iu3 s PRO 187 Cb 0.03 -2.68 0.64 0.00 0.02 0.00 0.00 34.50 32.50 3iu3 s PRO 187 CO 0.09 -0.62 1.87 0.77 -0.33 0.00 0.00 177.00 178.78 3iu3 h SER 188 N 2.48 0.40 0.31 2.53 0.02 -0.82 -2.90 113.55 115.58 3iu3 h SER 188 Ca -0.50 -0.09 -0.15 0.00 -0.84 0.00 0.00 61.79 60.21 3iu3 h SER 188 Cb 1.25 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 3iu3 h SER 188 CO 0.62 0.53 -0.62 0.77 -1.14 0.00 0.00 176.83 176.99 3iu3 h SER 189 N 0.40 0.34 0.48 3.07 4.64 -1.92 -3.06 113.55 117.51 3iu3 h SER 189 Ca 0.08 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3iu3 h SER 189 Cb 0.39 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3iu3 h SER 189 CO 0.02 0.87 0.00 -1.54 -0.87 0.00 0.00 176.83 175.31 3iu3 n SER 190 N -3.88 0.00 0.26 4.97 3.41 -1.09 -2.61 113.62 114.67 3iu3 n SER 190 Ca -0.03 0.44 0.13 0.00 -0.26 0.00 0.00 58.87 59.16 3iu3 n SER 190 Cb 0.63 -0.47 0.69 0.00 -0.26 0.00 0.00 64.21 64.80 3iu3 n SER 190 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3iu3 h LEU 191 N 0.00 0.00 -0.01 1.04 6.46 -1.60 -2.63 115.31 118.57 3iu3 h LEU 191 Ca 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3iu3 h LEU 191 Cb 0.24 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.17 3iu3 h LEU 191 CO 0.00 0.13 -0.00 1.23 -0.62 0.00 0.00 178.44 179.17 3iu3 h GLY 192 N 1.25 0.02 0.00 3.75 0.00 -1.73 -3.41 103.07 102.95 3iu3 h GLY 192 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3iu3 h GLY 192 CO 0.02 0.02 0.00 2.41 0.00 0.00 0.00 176.54 178.98 3iu3 n THR 193 N -4.88 0.00 -1.66 4.70 -1.04 -1.19 -4.93 114.28 105.27 3iu3 n THR 193 Ca -0.08 0.48 -0.51 0.00 -2.04 0.00 0.00 64.05 61.90 3iu3 n THR 193 Cb 0.22 -1.46 -0.05 0.00 -1.82 0.00 0.00 70.33 67.22 3iu3 n THR 193 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iu3 n GLN 194 N -2.13 1.66 -3.11 -2.82 1.13 -1.00 -4.97 117.38 106.15 3iu3 n GLN 194 Ca 0.00 0.60 -0.36 0.00 -1.94 0.00 0.00 57.00 55.31 3iu3 n GLN 194 Cb 0.00 -2.34 -0.06 0.00 0.11 0.00 0.00 30.24 27.95 3iu3 n GLN 194 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3iu3 s THR 195 N 2.24 4.59 -0.22 5.09 2.01 -1.26 -4.77 115.64 123.31 3iu3 s THR 195 Ca 0.88 1.24 0.01 0.00 0.31 0.00 0.00 61.69 64.14 3iu3 s THR 195 Cb -0.85 -3.83 0.05 0.00 0.01 0.00 0.00 72.50 67.88 3iu3 s THR 195 CO 0.50 0.17 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.19 3iu3 s TYR 196 N -1.57 2.66 -0.08 4.92 2.02 -1.26 -4.96 117.35 119.09 3iu3 s TYR 196 Ca 0.44 -1.80 0.04 0.00 -0.37 0.00 0.00 57.07 55.38 3iu3 s TYR 196 Cb -0.16 -1.73 -0.00 0.00 -0.40 0.00 0.00 41.96 39.67 3iu3 s TYR 196 CO 0.21 -0.79 -0.22 0.96 -1.57 0.00 0.00 175.55 174.14 3iu3 s ILE 197 N 1.31 1.87 -0.11 2.71 -4.36 -1.26 -0.56 121.20 120.80 3iu3 s ILE 197 Ca -0.03 -0.93 -0.08 0.00 -0.26 0.00 0.00 60.65 59.35 3iu3 s ILE 197 Cb -0.17 -1.61 -0.04 0.00 1.25 0.00 0.00 42.46 41.89 3iu3 s ILE 197 CO -0.08 0.52 0.16 0.00 0.24 0.00 0.00 174.94 175.79 3iu3 s ASN 199 N -1.02 5.59 -0.28 0.00 0.01 0.18 -2.40 114.94 117.01 3iu3 s ASN 199 Ca 0.16 -0.85 -0.07 0.00 -0.71 0.00 0.00 52.86 51.38 3iu3 s ASN 199 Cb -0.12 -1.99 -0.00 0.00 0.41 0.00 0.00 41.25 39.54 3iu3 s ASN 199 CO 0.05 -0.31 0.09 -0.69 -1.51 0.00 0.00 177.10 174.72 3iu3 s VAL 200 N 1.55 4.12 -0.16 1.60 1.01 -0.97 -2.01 120.40 125.54 3iu3 s VAL 200 Ca 0.02 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3iu3 s VAL 200 Cb -0.18 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.13 3iu3 s VAL 200 CO 0.06 0.15 -0.18 0.21 0.00 0.00 0.00 175.10 175.34 3iu3 s ASN 201 N 1.54 3.41 -0.50 3.32 3.04 0.42 -2.29 114.94 123.89 3iu3 s ASN 201 Ca 0.04 -0.55 0.03 0.00 0.04 0.00 0.00 52.86 52.42 3iu3 s ASN 201 Cb -0.17 -1.52 0.14 0.00 -1.54 0.00 0.00 41.25 38.16 3iu3 s ASN 201 CO 0.03 0.05 0.28 -2.28 -3.04 0.00 0.00 177.10 172.14 3iu3 s HIS 202 N 1.00 2.56 0.21 0.43 2.46 -0.77 -0.46 115.29 120.72 3iu3 s HIS 202 Ca -0.02 -2.80 -0.16 0.00 0.47 0.00 0.00 55.06 52.55 3iu3 s HIS 202 Cb -0.15 -2.28 0.23 0.00 -0.13 0.00 0.00 32.58 30.25 3iu3 s HIS 202 CO -0.04 -0.74 1.59 0.87 -2.47 0.00 0.00 174.74 173.95 3iu3 h LYS 203 N 6.45 -0.07 -0.23 2.88 6.56 -1.82 -2.42 116.57 127.92 3iu3 h LYS 203 Ca -0.01 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.66 3iu3 h LYS 203 Cb 0.89 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.56 3iu3 h LYS 203 CO 0.58 -0.04 0.25 -1.35 -2.06 0.00 0.00 179.45 176.83 3iu3 h PRO 204 N -0.07 0.00 -0.15 3.15 0.11 -1.93 -2.33 132.00 130.78 3iu3 h PRO 204 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3iu3 h PRO 204 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3iu3 h PRO 204 CO -0.76 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 175.90 3iu3 n SER 205 N -3.80 2.38 -3.75 -2.05 3.41 -0.94 -4.97 113.62 103.90 3iu3 n SER 205 Ca 0.03 -1.69 -0.28 0.00 -0.26 0.00 0.00 58.87 56.67 3iu3 n SER 205 Cb 0.39 -0.09 0.04 0.00 -0.26 0.00 0.00 64.21 64.28 3iu3 n SER 205 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3iu3 n ASN 206 N 0.65 -5.20 -4.76 4.04 5.15 -0.88 -4.93 115.26 109.33 3iu3 n ASN 206 Ca 0.09 -0.67 -0.36 0.00 -0.60 0.00 0.00 54.58 53.05 3iu3 n ASN 206 Cb 0.35 -4.15 -0.08 0.00 -0.53 0.00 0.00 39.78 35.38 3iu3 n ASN 206 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3iu3 s THR 207 N -3.27 4.82 -0.16 -0.44 2.01 -1.06 -5.04 115.64 112.51 3iu3 s THR 207 Ca 0.61 -0.05 -0.10 0.00 0.31 0.00 0.00 61.69 62.46 3iu3 s THR 207 Cb -0.30 -3.06 0.05 0.00 0.01 0.00 0.00 72.50 69.20 3iu3 s THR 207 CO 0.75 0.61 0.39 -0.75 -0.69 0.00 0.00 174.62 174.93 3iu3 s LYS 208 N -0.91 0.39 -0.16 4.92 2.20 -1.26 -1.85 119.74 123.08 3iu3 s LYS 208 Ca 0.14 0.69 -0.07 0.00 -0.36 0.00 0.00 55.97 56.37 3iu3 s LYS 208 Cb -0.12 0.04 0.06 0.00 -1.51 0.00 0.00 37.83 36.30 3iu3 s LYS 208 CO 0.03 -0.13 0.36 0.54 -0.36 0.00 0.00 175.35 175.79 3iu3 s VAL 209 N 1.04 -0.23 -0.20 4.02 0.11 -0.97 -5.04 120.40 119.13 3iu3 s VAL 209 Ca -0.07 0.15 -0.08 0.00 -2.93 0.00 0.00 61.98 59.05 3iu3 s VAL 209 Cb -0.07 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 3iu3 s VAL 209 CO -0.09 0.06 0.09 -1.81 -3.33 0.00 0.00 175.10 170.03 3iu3 s ASP 210 N 1.80 5.73 -0.07 3.54 1.11 -1.26 -2.30 116.67 125.21 3iu3 s ASP 210 Ca -0.06 0.06 0.05 0.00 0.18 0.00 0.00 52.55 52.79 3iu3 s ASP 210 Cb -0.10 -2.00 -0.01 0.00 1.07 0.00 0.00 42.92 41.88 3iu3 s ASP 210 CO -0.11 0.12 -0.24 -0.75 1.18 0.00 0.00 175.17 175.37 3iu3 s LYS 211 N 0.68 2.70 -0.15 8.23 2.47 -1.01 -4.98 119.74 127.67 3iu3 s LYS 211 Ca 0.05 -0.88 -0.22 0.00 -1.56 0.00 0.00 55.97 53.35 3iu3 s LYS 211 Cb -0.13 -2.19 -0.03 0.00 -1.46 0.00 0.00 37.83 34.03 3iu3 s LYS 211 CO 0.01 0.30 0.68 0.50 0.16 0.00 0.00 175.35 177.01 3iu3 s ARG 212 N 0.03 4.30 -0.75 4.03 3.52 -1.26 -1.69 118.95 127.12 3iu3 s ARG 212 Ca -0.09 0.75 -0.22 0.00 -0.13 0.00 0.00 55.73 56.04 3iu3 s ARG 212 Cb -0.15 -3.53 0.08 0.00 -1.56 0.00 0.00 34.95 29.78 3iu3 s ARG 212 CO 0.06 -0.15 1.08 0.08 -0.81 0.00 0.00 175.30 175.55 3iu3 s VAL 213 N 1.58 4.29 -0.24 7.11 1.01 0.28 -4.93 120.40 129.50 3iu3 s VAL 213 Ca 0.33 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 3iu3 s VAL 213 Cb -0.16 -4.76 -0.01 0.00 0.00 0.00 0.00 36.38 31.44 3iu3 s VAL 213 CO 0.13 -1.56 0.77 -0.70 0.00 0.00 0.00 175.10 173.74 3iu3 s GLU 214 N 4.08 4.18 0.00 2.72 2.56 -1.26 -4.66 118.70 126.32 3iu3 s GLU 214 Ca 0.28 0.84 0.00 0.00 0.00 0.00 0.00 54.97 56.09 3iu3 s GLU 214 Cb -0.12 -3.64 0.00 0.00 2.00 0.00 0.00 34.13 32.37 3iu3 s GLU 214 CO 0.05 -0.46 0.46 -2.30 -0.56 0.00 0.00 175.26 172.45