#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 3.89 -0.27 1.08 1.02 -1.26 -1.04 118.68 122.10 3iu3 s LEU 2 Ca 0.00 -1.94 -0.05 0.00 0.02 0.00 0.00 54.13 52.16 3iu3 s LEU 2 Cb 0.00 -1.38 0.01 0.00 0.02 0.00 0.00 46.19 44.84 3iu3 s LEU 2 CO 0.00 -0.38 0.02 -1.58 0.02 0.00 0.00 176.35 174.44 3iu3 s GLN 3 N 1.14 3.05 0.23 1.70 2.00 -0.77 -4.17 119.66 122.83 3iu3 s GLN 3 Ca 0.09 -0.87 0.04 0.00 -2.00 0.00 0.00 55.36 52.63 3iu3 s GLN 3 Cb -0.18 -3.22 -0.03 0.00 0.80 0.00 0.00 33.01 30.38 3iu3 s GLN 3 CO -0.13 -0.40 0.36 -0.65 -0.50 0.00 0.00 175.29 173.97 3iu3 s GLN 4 N 1.44 3.45 0.67 1.67 -0.21 -1.26 0.13 119.66 125.55 3iu3 s GLN 4 Ca 0.02 -0.68 -0.14 0.00 0.02 0.00 0.00 55.36 54.58 3iu3 s GLN 4 Cb -0.17 -2.88 0.00 0.00 1.00 0.00 0.00 33.01 30.96 3iu3 s GLN 4 CO -0.00 0.42 1.09 -1.54 -2.12 0.00 0.00 175.29 173.14 3iu3 s SER 5 N -3.82 5.14 1.21 5.90 1.04 -1.04 -4.98 113.70 117.15 3iu3 s SER 5 Ca 0.35 1.89 -0.19 0.00 0.48 0.00 0.00 55.95 58.48 3iu3 s SER 5 Cb -0.09 -2.54 0.29 0.00 0.10 0.00 0.00 66.02 63.77 3iu3 s SER 5 CO 0.29 -1.60 1.09 -0.83 0.98 0.00 0.00 173.24 173.17 3iu3 s GLY 6 N -2.89 1.56 0.12 7.32 0.00 -1.26 -4.60 107.32 107.57 3iu3 s GLY 6 Ca 0.64 -0.86 -0.35 0.00 0.00 0.00 0.00 44.72 44.16 3iu3 s GLY 6 CO 0.45 0.01 1.55 2.41 0.00 0.00 0.00 173.10 177.52 3iu3 n THR 7 N -4.80 0.05 -4.29 0.90 -1.04 -1.26 -4.74 114.28 99.10 3iu3 n THR 7 Ca 0.12 -0.01 -0.31 0.00 -2.04 0.00 0.00 64.05 61.81 3iu3 n THR 7 Cb 0.59 -1.40 -0.09 0.00 -1.82 0.00 0.00 70.33 67.61 3iu3 n THR 7 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3iu3 s VAL 8 N 1.08 3.88 0.04 12.58 1.01 -0.56 -5.00 120.40 133.44 3iu3 s VAL 8 Ca 0.81 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 62.03 3iu3 s VAL 8 Cb -0.75 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 3iu3 s VAL 8 CO 0.41 0.28 -0.19 -0.76 0.00 0.00 0.00 175.10 174.85 3iu3 s LEU 9 N -1.80 2.58 0.05 3.92 1.02 -1.26 -1.76 118.68 121.42 3iu3 s LEU 9 Ca 0.21 -0.44 -0.19 0.00 0.02 0.00 0.00 54.13 53.73 3iu3 s LEU 9 Cb -0.11 -1.50 0.04 0.00 0.02 0.00 0.00 46.19 44.63 3iu3 s LEU 9 CO 0.12 0.25 0.43 0.00 0.02 0.00 0.00 176.35 177.18 3iu3 s ALA 10 N -0.92 -1.07 0.16 4.21 0.00 -0.17 -4.95 121.76 119.01 3iu3 s ALA 10 Ca 0.14 0.36 0.04 0.00 0.00 0.00 0.00 51.96 52.50 3iu3 s ALA 10 Cb -0.10 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 3iu3 s ALA 10 CO 0.05 -0.47 0.23 1.03 0.00 0.00 0.00 175.76 176.59 3iu3 s ARG 11 N -2.52 3.22 0.04 0.00 0.52 -1.25 -0.36 118.95 118.61 3iu3 s ARG 11 Ca -0.05 -0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 54.14 3iu3 s ARG 11 Cb -0.01 -2.83 -0.09 0.00 0.52 0.00 0.00 34.95 32.54 3iu3 s ARG 11 CO -0.03 0.50 1.94 -2.14 0.02 0.00 0.00 175.30 175.60 3iu3 s PRO 12 N -3.21 4.14 0.00 3.54 0.02 -1.26 -1.78 135.00 136.45 3iu3 s PRO 12 Ca 0.33 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.95 3iu3 s PRO 12 Cb -0.11 -4.10 0.00 0.00 0.02 0.00 0.00 34.50 30.31 3iu3 s PRO 12 CO 0.26 -0.94 0.00 0.41 -0.33 0.00 0.00 177.00 176.40 3iu3 n GLY 13 N 4.50 1.99 3.52 0.52 0.00 -0.06 -4.92 105.19 110.74 3iu3 n GLY 13 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3iu3 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iu3 s ALA 14 N -2.02 0.29 0.37 4.61 0.00 -0.73 -3.86 121.76 120.41 3iu3 s ALA 14 Ca 0.00 -0.97 0.08 0.00 0.00 0.00 0.00 51.96 51.08 3iu3 s ALA 14 Cb 0.00 -2.88 -0.07 0.00 0.00 0.00 0.00 23.12 20.17 3iu3 s ALA 14 CO 0.00 -3.87 -0.04 -1.12 0.00 0.00 0.00 175.76 170.72 3iu3 s SER 15 N -3.77 3.81 -0.20 0.00 0.01 -1.26 -1.67 113.70 110.62 3iu3 s SER 15 Ca 0.71 -1.27 -0.17 0.00 1.31 0.00 0.00 55.95 56.53 3iu3 s SER 15 Cb -0.10 -0.38 0.05 0.00 0.21 0.00 0.00 66.02 65.81 3iu3 s SER 15 CO 0.56 -0.32 0.52 0.54 0.41 0.00 0.00 173.24 174.96 3iu3 s VAL 16 N -2.65 -0.00 -0.20 3.43 0.11 -0.74 -4.97 120.40 115.37 3iu3 s VAL 16 Ca 0.34 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.41 3iu3 s VAL 16 Cb 0.06 -0.74 0.03 0.00 -1.53 0.00 0.00 36.38 34.20 3iu3 s VAL 16 CO 0.17 0.00 -0.17 -0.75 -3.33 0.00 0.00 175.10 171.02 3iu3 s LYS 17 N 0.45 2.80 0.20 1.54 2.20 -1.26 -0.08 119.74 125.59 3iu3 s LYS 17 Ca -0.01 -0.96 0.08 0.00 -0.36 0.00 0.00 55.97 54.71 3iu3 s LYS 17 Cb -0.04 -2.66 -0.04 0.00 -1.51 0.00 0.00 37.83 33.58 3iu3 s LYS 17 CO -0.02 -0.30 0.02 0.00 -0.36 0.00 0.00 175.35 174.69 3iu3 s MET 18 N 1.24 2.44 0.37 4.03 0.23 -0.51 -4.96 119.30 122.15 3iu3 s MET 18 Ca 0.01 -1.17 0.08 0.00 -1.03 0.00 0.00 55.69 53.59 3iu3 s MET 18 Cb -0.15 -2.34 -0.07 0.00 -1.53 0.00 0.00 34.83 30.74 3iu3 s MET 18 CO -0.11 0.43 -0.05 -1.54 -2.03 0.00 0.00 175.02 171.73 3iu3 s SER 19 N -3.20 3.77 -0.36 -1.18 1.04 -1.26 -1.40 113.70 111.12 3iu3 s SER 19 Ca 0.29 -1.28 0.04 0.00 0.48 0.00 0.00 55.95 55.49 3iu3 s SER 19 Cb -0.08 -0.37 0.17 0.00 0.10 0.00 0.00 66.02 65.83 3iu3 s SER 19 CO 0.20 -0.32 0.46 0.00 0.98 0.00 0.00 173.24 174.56 3iu3 s LYS 21 N 1.89 3.91 0.31 0.00 2.20 0.12 -1.76 119.74 126.41 3iu3 s LYS 21 Ca 0.14 0.64 -0.21 0.00 -0.36 0.00 0.00 55.97 56.19 3iu3 s LYS 21 Cb -0.11 -3.77 -0.09 0.00 -1.51 0.00 0.00 37.83 32.34 3iu3 s LYS 21 CO -0.12 -0.85 0.83 0.00 -0.36 0.00 0.00 175.35 174.85 3iu3 s ALA 22 N 3.31 3.26 -0.26 3.13 0.00 0.15 -1.85 121.76 129.50 3iu3 s ALA 22 Ca 0.37 0.28 -0.23 0.00 0.00 0.00 0.00 51.96 52.38 3iu3 s ALA 22 Cb -0.13 -2.97 0.07 0.00 0.00 0.00 0.00 23.12 20.09 3iu3 s ALA 22 CO 0.16 0.25 0.68 -1.54 0.00 0.00 0.00 175.76 175.31 3iu3 s SER 23 N -1.89 -0.72 0.00 0.00 1.04 -0.20 -4.80 113.70 107.13 3iu3 s SER 23 Ca 0.51 1.37 0.00 0.00 0.48 0.00 0.00 55.95 58.31 3iu3 s SER 23 Cb -0.14 1.38 0.00 0.00 0.10 0.00 0.00 66.02 67.36 3iu3 s SER 23 CO 0.19 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.79 3iu3 n GLY 24 N 2.81 0.79 3.55 7.32 0.00 -1.26 -4.14 105.19 114.26 3iu3 n GLY 24 Ca -0.14 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.00 -0.25 -0.51 1.61 1.13 -1.26 -5.11 117.35 110.96 3iu3 s TYR 25 Ca 0.00 0.16 -0.27 0.00 -1.41 0.00 0.00 57.07 55.55 3iu3 s TYR 25 Cb 0.00 0.53 -0.02 0.00 -1.10 0.00 0.00 41.96 41.37 3iu3 s TYR 25 CO 0.00 -0.39 1.84 -1.54 -2.51 0.00 0.00 175.55 172.95 3iu3 s SER 26 N -2.30 5.48 0.58 -0.18 1.04 -1.26 -4.85 113.70 112.21 3iu3 s SER 26 Ca 0.07 0.68 0.28 0.00 0.48 0.00 0.00 55.95 57.45 3iu3 s SER 26 Cb -0.01 -2.53 1.55 0.00 0.10 0.00 0.00 66.02 65.13 3iu3 s SER 26 CO -0.07 -2.15 2.03 0.15 0.98 0.00 0.00 173.24 174.18 3iu3 h PHE 27 N 14.27 0.00 -0.01 5.02 3.57 -1.96 -2.71 116.94 135.12 3iu3 h PHE 27 Ca -0.28 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.06 3iu3 h PHE 27 Cb 1.16 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 3iu3 h PHE 27 CO 1.01 0.00 -0.71 1.15 -2.23 0.00 0.00 178.31 177.53 3iu3 h THR 28 N 0.00 1.48 -0.18 4.41 2.02 -1.89 -3.36 112.91 115.39 3iu3 h THR 28 Ca 0.15 -2.36 0.00 0.00 0.77 0.00 0.00 66.41 64.97 3iu3 h THR 28 Cb 0.76 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 3iu3 h THR 28 CO -0.00 0.68 0.00 0.54 0.37 0.00 0.00 175.52 177.11 3iu3 n ARG 29 N -3.73 2.02 -4.49 6.66 1.74 -1.02 -3.28 116.66 114.56 3iu3 n ARG 29 Ca -0.02 -1.51 -0.22 0.00 -0.77 0.00 0.00 57.85 55.33 3iu3 n ARG 29 Cb 0.69 -1.45 -0.14 0.00 -1.02 0.00 0.00 32.46 30.54 3iu3 n ARG 29 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3iu3 s TYR 30 N -1.79 1.34 0.19 -1.55 2.02 -1.26 -5.11 117.35 111.20 3iu3 s TYR 30 Ca 0.34 -0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.42 3iu3 s TYR 30 Cb 0.20 -0.82 -0.08 0.00 -0.40 0.00 0.00 41.96 40.87 3iu3 s TYR 30 CO 0.30 0.03 1.03 -1.58 -1.57 0.00 0.00 175.55 173.76 3iu3 s TRP 31 N -0.70 3.73 -0.25 2.71 0.52 -1.26 -4.39 118.94 119.30 3iu3 s TRP 31 Ca 0.04 1.73 -0.03 0.00 0.02 0.00 0.00 56.10 57.85 3iu3 s TRP 31 Cb -0.07 -3.16 0.01 0.00 -1.15 0.00 0.00 33.47 29.09 3iu3 s TRP 31 CO 0.01 -0.18 -0.03 1.41 0.02 0.00 0.00 176.95 178.18 3iu3 s MET 32 N -0.60 3.09 0.03 4.98 1.75 -0.42 -1.75 119.30 126.39 3iu3 s MET 32 Ca 0.46 -0.82 0.00 0.00 -1.25 0.00 0.00 55.69 54.09 3iu3 s MET 32 Cb -0.28 -3.06 -0.04 0.00 2.84 0.00 0.00 34.83 34.30 3iu3 s MET 32 CO 0.34 -0.33 0.12 -1.01 -0.65 0.00 0.00 175.02 173.49 3iu3 s HIS 33 N 1.42 3.33 -0.06 4.11 3.76 -0.37 -1.61 115.29 125.87 3iu3 s HIS 33 Ca 0.03 0.20 0.06 0.00 -0.15 0.00 0.00 55.06 55.19 3iu3 s HIS 33 Cb -0.16 -1.72 -0.01 0.00 1.11 0.00 0.00 32.58 31.80 3iu3 s HIS 33 CO -0.03 0.56 -0.24 -1.58 -0.85 0.00 0.00 174.74 172.60 3iu3 s TRP 34 N -1.33 2.46 -0.05 1.40 0.52 -0.61 -1.25 118.94 120.09 3iu3 s TRP 34 Ca 0.28 -0.68 -0.00 0.00 0.02 0.00 0.00 56.10 55.71 3iu3 s TRP 34 Cb -0.12 -1.61 0.03 0.00 -1.15 0.00 0.00 33.47 30.62 3iu3 s TRP 34 CO 0.19 -0.19 -0.01 0.42 0.02 0.00 0.00 176.95 177.38 3iu3 s ILE 35 N -0.19 0.33 0.13 2.03 1.09 0.67 -0.56 121.20 124.71 3iu3 s ILE 35 Ca -0.03 0.05 -0.11 0.00 -1.10 0.00 0.00 60.65 59.46 3iu3 s ILE 35 Cb -0.14 -0.43 -0.06 0.00 -1.06 0.00 0.00 42.46 40.77 3iu3 s ILE 35 CO 0.03 0.21 0.48 -0.75 -0.10 0.00 0.00 174.94 174.81 3iu3 s LYS 36 N 1.34 3.84 -0.27 2.79 2.20 0.88 -0.75 119.74 129.76 3iu3 s LYS 36 Ca -0.05 0.29 -0.02 0.00 -0.36 0.00 0.00 55.97 55.83 3iu3 s LYS 36 Cb -0.13 -2.90 0.12 0.00 -1.51 0.00 0.00 37.83 33.41 3iu3 s LYS 36 CO -0.02 0.48 0.25 -1.14 -0.36 0.00 0.00 175.35 174.56 3iu3 s GLN 37 N -2.14 0.28 0.39 4.03 0.74 -0.45 -0.27 119.66 122.24 3iu3 s GLN 37 Ca 0.38 -0.13 -0.26 0.00 0.05 0.00 0.00 55.36 55.40 3iu3 s GLN 37 Cb -0.14 -0.84 -0.09 0.00 1.10 0.00 0.00 33.01 33.04 3iu3 s GLN 37 CO 0.19 -0.95 1.17 1.03 -0.55 0.00 0.00 175.29 176.18 3iu3 s ARG 38 N 2.31 4.10 -0.17 1.67 0.52 -1.26 -1.54 118.95 124.58 3iu3 s ARG 38 Ca 0.09 1.85 -0.41 0.00 -0.52 0.00 0.00 55.73 56.74 3iu3 s ARG 38 Cb -0.15 -2.71 -0.18 0.00 0.52 0.00 0.00 34.95 32.43 3iu3 s ARG 38 CO -0.29 -0.29 1.45 -2.30 0.02 0.00 0.00 175.30 173.89 3iu3 n PRO 39 N 0.16 0.61 0.00 3.54 -0.02 -1.26 -1.53 135.00 136.50 3iu3 n PRO 39 Ca 0.04 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3iu3 n PRO 39 Cb 0.46 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 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 3.08 1.98 0.00 -1.23 0.00 -1.26 -4.98 105.19 102.79 3iu3 n GLY 40 Ca 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.04 -0.38 1.61 3.00 -0.58 -5.10 117.38 115.97 3iu3 n GLN 41 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3iu3 n GLN 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 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 2.57 1.71 3.84 1.08 0.00 -1.26 -4.71 105.19 108.42 3iu3 n GLY 42 Ca 0.00 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.60 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 4.46 -0.06 0.99 1.43 -1.26 -3.99 118.68 120.25 3iu3 s LEU 43 Ca 0.00 0.97 0.02 0.00 -1.03 0.00 0.00 54.13 54.09 3iu3 s LEU 43 Cb 0.00 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.55 3iu3 s LEU 43 CO 0.00 0.30 -0.13 -1.61 0.23 0.00 0.00 176.35 175.14 3iu3 s GLU 44 N -1.22 1.68 -0.06 1.70 2.02 0.63 -4.98 118.70 118.47 3iu3 s GLU 44 Ca 0.26 -0.43 -0.30 0.00 0.02 0.00 0.00 54.97 54.52 3iu3 s GLU 44 Cb -0.16 -1.40 -0.03 0.00 0.10 0.00 0.00 34.13 32.64 3iu3 s GLU 44 CO 0.14 0.05 1.17 -0.46 0.02 0.00 0.00 175.26 176.19 3iu3 s TRP 45 N 0.58 3.24 -0.20 1.61 -0.00 -1.26 -0.09 118.94 122.81 3iu3 s TRP 45 Ca -0.13 1.27 -0.22 0.00 -0.00 0.00 0.00 56.10 57.02 3iu3 s TRP 45 Cb -0.15 -3.39 -0.19 0.00 -0.00 0.00 0.00 33.47 29.74 3iu3 s TRP 45 CO 0.03 -1.16 0.23 0.82 -0.00 0.00 0.00 176.95 176.88 3iu3 h ILE 46 N 5.02 0.94 0.00 5.86 2.04 -1.20 -3.42 117.51 126.75 3iu3 h ILE 46 Ca -0.34 -2.19 0.00 0.00 1.00 0.00 0.00 64.86 63.34 3iu3 h ILE 46 Cb 1.16 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 3iu3 h ILE 46 CO 0.88 0.33 0.00 0.61 0.00 0.00 0.00 178.15 179.97 3iu3 n GLY 47 N 1.45 -1.75 3.15 5.37 0.00 -1.22 -1.53 105.19 110.65 3iu3 n GLY 47 Ca -0.31 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.49 0.72 -0.13 4.61 0.00 0.04 -1.58 121.76 123.94 3iu3 s ALA 48 Ca 0.00 -1.37 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 3iu3 s ALA 48 Cb 0.00 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.88 3iu3 s ALA 48 CO 0.00 -0.47 0.33 -1.50 0.00 0.00 0.00 175.76 174.12 3iu3 s ILE 49 N -4.01 -0.01 -0.42 0.00 2.07 -0.63 -1.39 121.20 116.81 3iu3 s ILE 49 Ca 0.20 0.02 -0.12 0.00 -1.41 0.00 0.00 60.65 59.34 3iu3 s ILE 49 Cb 0.07 -0.47 0.06 0.00 0.13 0.00 0.00 42.46 42.25 3iu3 s ILE 49 CO -0.01 0.01 0.28 -0.47 -1.91 0.00 0.00 174.94 172.84 3iu3 s TYR 50 N 0.40 3.28 -1.39 3.50 5.04 -0.47 -1.30 117.35 126.41 3iu3 s TYR 50 Ca -0.02 -1.14 0.13 0.00 -2.44 0.00 0.00 57.07 53.60 3iu3 s TYR 50 Cb -0.04 -2.83 0.63 0.00 0.35 0.00 0.00 41.96 40.08 3iu3 s TYR 50 CO -0.02 -0.76 1.33 -2.30 -1.34 0.00 0.00 175.55 172.46 3iu3 n PRO 51 N 5.03 0.16 0.10 4.97 -0.02 -1.26 0.30 135.00 144.29 3iu3 n PRO 51 Ca -0.11 0.18 -0.04 0.00 -2.02 0.00 0.00 63.50 61.51 3iu3 n PRO 51 Cb 0.44 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.57 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 2.10 0.18 0.00 -1.23 0.00 -1.84 -3.38 103.07 98.90 3iu3 h GLY 52 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3iu3 h GLY 52 CO 0.00 0.20 0.00 1.16 0.00 0.00 0.00 176.54 177.90 3iu3 n ASN 53 N -3.87 0.00 -2.37 0.19 6.94 -1.03 -5.02 115.26 110.10 3iu3 n ASN 53 Ca -0.02 -1.00 -0.18 0.00 -0.02 0.00 0.00 54.58 53.36 3iu3 n ASN 53 Cb 0.60 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 38.01 3iu3 n ASN 53 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 3iu3 n SER 54 N 0.00 -5.17 -4.61 0.53 7.64 0.15 -4.94 113.62 107.22 3iu3 n SER 54 Ca 0.00 0.08 -0.43 0.00 1.01 0.00 0.00 58.87 59.53 3iu3 n SER 54 Cb 0.43 -4.34 -0.02 0.00 -1.01 0.00 0.00 64.21 59.26 3iu3 n SER 54 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3iu3 s ASP 55 N -2.07 6.18 0.22 6.43 3.68 -1.16 -4.81 116.67 125.14 3iu3 s ASP 55 Ca 0.00 1.30 0.07 0.00 2.13 0.00 0.00 52.55 56.05 3iu3 s ASP 55 Cb 0.00 -2.53 -0.04 0.00 -1.45 0.00 0.00 42.92 38.90 3iu3 s ASP 55 CO 0.00 -1.48 0.10 0.42 0.13 0.00 0.00 175.17 174.35 3iu3 s THR 56 N 5.91 4.12 -0.03 1.71 -4.23 -1.26 -1.36 115.64 120.49 3iu3 s THR 56 Ca 0.72 -1.43 -0.05 0.00 -1.18 0.00 0.00 61.69 59.76 3iu3 s THR 56 Cb -0.21 -3.16 0.01 0.00 1.34 0.00 0.00 72.50 70.48 3iu3 s THR 56 CO 0.32 -0.25 0.12 -0.55 -0.54 0.00 0.00 174.62 173.72 3iu3 s SER 57 N -3.44 -0.08 0.09 3.99 0.15 -0.49 -4.99 113.70 108.93 3iu3 s SER 57 Ca 0.31 0.12 0.07 0.00 0.70 0.00 0.00 55.95 57.15 3iu3 s SER 57 Cb -0.08 0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 64.44 3iu3 s SER 57 CO 0.22 -0.13 -0.18 -0.31 1.20 0.00 0.00 173.24 174.05 3iu3 s TYR 58 N -0.32 1.52 0.38 3.44 2.02 -1.26 -0.78 117.35 122.35 3iu3 s TYR 58 Ca -0.04 -0.44 -0.27 0.00 -0.37 0.00 0.00 57.07 55.95 3iu3 s TYR 58 Cb -0.03 -0.84 -0.09 0.00 -0.40 0.00 0.00 41.96 40.60 3iu3 s TYR 58 CO 0.00 0.14 1.29 1.21 -1.57 0.00 0.00 175.55 176.62 3iu3 s ASN 59 N -1.84 6.49 0.53 2.29 3.84 -0.58 -4.94 114.94 120.73 3iu3 s ASN 59 Ca 0.03 2.64 0.19 0.00 0.21 0.00 0.00 52.86 55.93 3iu3 s ASN 59 Cb -0.10 -2.64 1.37 0.00 -0.55 0.00 0.00 41.25 39.33 3iu3 s ASN 59 CO 0.03 -0.72 2.16 0.06 -2.79 0.00 0.00 177.10 175.84 3iu3 h GLN 60 N 2.92 0.00 0.00 0.43 -0.00 -1.93 -2.07 115.11 114.45 3iu3 h GLN 60 Ca -0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.14 3iu3 h GLN 60 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.72 3iu3 h GLN 60 CO 0.64 0.02 -0.07 0.87 -0.00 0.00 0.00 178.83 180.29 3iu3 h LYS 61 N 0.00 0.00 -0.04 0.06 1.79 -1.95 -3.23 116.57 113.21 3iu3 h LYS 61 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3iu3 h LYS 61 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 3iu3 h LYS 61 CO 0.00 0.07 0.00 1.19 -1.08 0.00 0.00 179.45 179.63 3iu3 n PHE 62 N -3.30 0.08 -0.18 -1.35 3.01 -0.79 -4.80 117.46 110.14 3iu3 n PHE 62 Ca -0.01 -0.69 -0.05 0.00 1.01 0.00 0.00 57.45 57.71 3iu3 n PHE 62 Cb 0.26 -0.09 0.01 0.00 -0.01 0.00 0.00 39.48 39.64 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 0.24 -0.16 -0.03 -1.08 4.39 -1.56 -1.40 114.58 114.97 3iu3 h GLU 63 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3iu3 h GLU 63 Cb 0.73 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3iu3 h GLU 63 CO 0.01 -0.11 -0.05 0.41 -1.16 0.00 0.00 179.01 178.12 3iu3 n GLY 64 N -1.43 0.81 0.13 -3.84 0.00 -1.26 -4.45 105.19 95.15 3iu3 n GLY 64 Ca 0.04 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 3iu3 n GLY 64 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3iu3 n LYS 65 N 1.16 0.68 -4.11 1.61 4.81 -0.93 -4.78 118.16 116.59 3iu3 n LYS 65 Ca 0.13 0.27 -0.35 0.00 -0.87 0.00 0.00 58.31 57.49 3iu3 n LYS 65 Cb 0.56 -1.63 -0.07 0.00 0.02 0.00 0.00 35.03 33.91 3iu3 n LYS 65 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3iu3 s ALA 66 N -2.51 3.60 -0.12 3.14 0.00 -0.57 -1.04 121.76 124.25 3iu3 s ALA 66 Ca -0.29 -0.77 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 3iu3 s ALA 66 Cb 0.08 -1.68 0.03 0.00 0.00 0.00 0.00 23.12 21.54 3iu3 s ALA 66 CO 0.66 0.64 -0.09 0.21 0.00 0.00 0.00 175.76 177.18 3iu3 s LYS 67 N -1.26 1.66 -0.23 0.00 2.20 0.13 -4.80 119.74 117.44 3iu3 s LYS 67 Ca 0.18 -0.32 -0.08 0.00 -0.36 0.00 0.00 55.97 55.38 3iu3 s LYS 67 Cb -0.12 -1.71 -0.04 0.00 -1.51 0.00 0.00 37.83 34.46 3iu3 s LYS 67 CO 0.07 -0.27 0.09 -0.51 -0.36 0.00 0.00 175.35 174.37 3iu3 s LEU 68 N 1.66 3.69 0.19 5.43 1.02 -1.26 -0.95 118.68 128.46 3iu3 s LEU 68 Ca 0.05 -0.06 0.01 0.00 0.02 0.00 0.00 54.13 54.15 3iu3 s LEU 68 Cb -0.13 -1.97 -0.05 0.00 0.02 0.00 0.00 46.19 44.06 3iu3 s LEU 68 CO -0.09 0.04 0.05 0.42 0.02 0.00 0.00 176.35 176.79 3iu3 s THR 69 N 1.17 0.49 -0.02 5.49 -4.23 -0.86 -4.97 115.64 112.71 3iu3 s THR 69 Ca 0.05 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 58.48 3iu3 s THR 69 Cb -0.14 -2.28 0.02 0.00 1.34 0.00 0.00 72.50 71.43 3iu3 s THR 69 CO 0.04 -0.30 0.23 0.00 -0.54 0.00 0.00 174.62 174.05 3iu3 s ALA 70 N -3.79 -0.58 -0.40 3.99 0.00 -1.26 -0.28 121.76 119.44 3iu3 s ALA 70 Ca 0.29 0.24 0.04 0.00 0.00 0.00 0.00 51.96 52.53 3iu3 s ALA 70 Cb 0.07 -0.01 0.11 0.00 0.00 0.00 0.00 23.12 23.28 3iu3 s ALA 70 CO 0.07 -0.21 0.12 0.08 0.00 0.00 0.00 175.76 175.82 3iu3 s VAL 71 N -1.05 2.32 0.35 0.00 1.01 -0.75 -5.00 120.40 117.29 3iu3 s VAL 71 Ca -0.11 -2.63 0.09 0.00 0.00 0.00 0.00 61.98 59.33 3iu3 s VAL 71 Cb -0.05 -2.68 0.33 0.00 0.00 0.00 0.00 36.38 33.97 3iu3 s VAL 71 CO 0.02 -0.67 1.84 0.74 0.00 0.00 0.00 175.10 177.03 3iu3 h THR 72 N 6.23 0.77 0.00 3.92 2.02 -1.87 0.06 112.91 124.03 3iu3 h THR 72 Ca -0.05 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3iu3 h THR 72 Cb 0.98 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3iu3 h THR 72 CO 0.57 0.12 0.00 0.77 0.37 0.00 0.00 175.52 177.35 3iu3 h SER 73 N 0.67 0.00 0.00 4.18 4.64 -1.96 -2.79 113.55 118.29 3iu3 h SER 73 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3iu3 h SER 73 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3iu3 h SER 73 CO -0.25 0.00 -1.39 0.00 -0.87 0.00 0.00 176.83 174.32 3iu3 n ALA 74 N -2.01 3.64 -3.48 5.18 0.00 -0.06 -5.00 120.51 118.78 3iu3 n ALA 74 Ca 0.01 -0.51 -0.23 0.00 0.00 0.00 0.00 53.44 52.71 3iu3 n ALA 74 Cb 0.27 -0.69 0.07 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.81 -6.29 -3.98 0.00 7.64 -0.80 -4.83 113.62 103.55 3iu3 n SER 75 Ca 0.00 -0.49 -0.24 0.00 1.01 0.00 0.00 58.87 59.15 3iu3 n SER 75 Cb 0.40 -4.95 -0.17 0.00 -1.01 0.00 0.00 64.21 58.49 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 -3.29 1.04 0.02 0.44 2.01 -1.21 0.29 115.64 114.94 3iu3 s THR 76 Ca 0.53 -0.40 -0.11 0.00 0.31 0.00 0.00 61.69 62.02 3iu3 s THR 76 Cb -0.23 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.25 3iu3 s THR 76 CO 0.66 0.34 0.37 0.00 -0.69 0.00 0.00 174.62 175.29 3iu3 s ALA 77 N 0.89 3.74 0.17 7.40 0.00 -0.72 -1.80 121.76 131.43 3iu3 s ALA 77 Ca -0.11 -0.35 0.10 0.00 0.00 0.00 0.00 51.96 51.60 3iu3 s ALA 77 Cb -0.15 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 3iu3 s ALA 77 CO 0.01 0.54 -0.22 0.71 0.00 0.00 0.00 175.76 176.80 3iu3 s TYR 78 N -1.22 2.08 -0.07 0.00 1.51 0.61 -0.84 117.35 119.43 3iu3 s TYR 78 Ca 0.27 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.90 3iu3 s TYR 78 Cb -0.15 -1.05 0.04 0.00 -0.11 0.00 0.00 41.96 40.68 3iu3 s TYR 78 CO 0.14 0.40 0.06 1.41 -1.11 0.00 0.00 175.55 176.45 3iu3 s MET 79 N -2.57 0.02 -0.07 -0.62 1.75 -0.49 -2.02 119.30 115.30 3iu3 s MET 79 Ca 0.17 0.27 -0.07 0.00 -1.25 0.00 0.00 55.69 54.81 3iu3 s MET 79 Cb -0.08 -0.79 -0.04 0.00 2.84 0.00 0.00 34.83 36.76 3iu3 s MET 79 CO 0.08 -0.39 0.19 -2.00 -0.65 0.00 0.00 175.02 172.25 3iu3 s GLU 80 N 2.14 3.50 -0.16 4.11 2.12 -0.13 -1.42 118.70 128.86 3iu3 s GLU 80 Ca 0.04 -0.11 -0.02 0.00 0.36 0.00 0.00 54.97 55.25 3iu3 s GLU 80 Cb -0.13 -3.16 0.05 0.00 0.26 0.00 0.00 34.13 31.15 3iu3 s GLU 80 CO -0.04 0.74 -0.00 -1.17 -0.54 0.00 0.00 175.26 174.24 3iu3 s LEU 81 N -1.28 1.24 0.23 2.70 2.96 0.88 -0.69 118.68 124.72 3iu3 s LEU 81 Ca 0.19 -0.62 0.05 0.00 -0.22 0.00 0.00 54.13 53.53 3iu3 s LEU 81 Cb -0.13 -0.68 -0.03 0.00 0.50 0.00 0.00 46.19 45.85 3iu3 s LEU 81 CO 0.09 -0.24 0.31 -0.94 -1.32 0.00 0.00 176.35 174.25 3iu3 s SER 82 N 1.80 6.11 -0.73 3.68 1.04 -0.21 -1.80 113.70 123.59 3iu3 s SER 82 Ca 0.01 -0.00 -0.10 0.00 0.48 0.00 0.00 55.95 56.33 3iu3 s SER 82 Cb -0.15 -1.74 0.01 0.00 0.10 0.00 0.00 66.02 64.24 3iu3 s SER 82 CO -0.07 -0.05 0.47 -1.54 0.98 0.00 0.00 173.24 173.03 3iu3 n SER 83 N -1.25 -3.36 -4.75 7.02 3.41 -0.93 -4.82 113.62 108.96 3iu3 n SER 83 Ca -0.09 -0.83 -0.41 0.00 -0.26 0.00 0.00 58.87 57.28 3iu3 n SER 83 Cb 0.57 -1.18 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 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 -5.25 4.42 0.54 1.04 1.43 -0.67 -4.62 118.68 115.56 3iu3 s LEU 84 Ca 0.14 2.50 0.01 0.00 -1.03 0.00 0.00 54.13 55.75 3iu3 s LEU 84 Cb -0.08 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.53 3iu3 s LEU 84 CO 0.69 -0.53 0.11 0.42 0.23 0.00 0.00 176.35 177.27 3iu3 s THR 85 N -0.28 1.13 0.54 5.49 -4.23 -1.26 -0.88 115.64 116.15 3iu3 s THR 85 Ca 0.54 -1.87 0.19 0.00 -1.18 0.00 0.00 61.69 59.37 3iu3 s THR 85 Cb -0.38 -2.00 0.29 0.00 1.34 0.00 0.00 72.50 71.75 3iu3 s THR 85 CO 0.42 0.00 2.17 -0.74 -0.54 0.00 0.00 174.62 175.94 3iu3 h HIS 86 N 1.12 0.00 0.00 3.99 2.76 -1.97 -2.32 115.15 118.73 3iu3 h HIS 86 Ca -0.42 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.75 3iu3 h HIS 86 Cb 1.32 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.28 3iu3 h HIS 86 CO 1.52 0.00 0.00 0.39 -1.30 0.00 0.00 177.93 178.54 3iu3 n GLU 87 N -4.39 0.93 -0.00 5.26 1.02 -1.26 -2.44 120.64 119.76 3iu3 n GLU 87 Ca -0.03 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.22 3iu3 n GLU 87 Cb 0.09 -1.37 -0.14 0.00 -0.02 0.00 0.00 31.44 30.01 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 -0.87 0.50 -4.59 1.62 8.00 -0.87 -4.86 116.55 115.48 3iu3 n ASP 88 Ca 0.16 -0.48 -0.41 0.00 0.71 0.00 0.00 54.79 54.77 3iu3 n ASP 88 Cb 0.08 1.48 -0.03 0.00 -0.02 0.00 0.00 41.12 42.63 3iu3 n ASP 88 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3iu3 s SER 89 N -3.78 5.24 0.03 -2.24 0.01 -1.02 -4.82 113.70 107.13 3iu3 s SER 89 Ca 0.00 1.59 -0.02 0.00 1.31 0.00 0.00 55.95 58.83 3iu3 s SER 89 Cb 0.15 -2.51 0.01 0.00 0.21 0.00 0.00 66.02 63.88 3iu3 s SER 89 CO 0.89 -2.18 0.08 0.00 0.41 0.00 0.00 173.24 172.44 3iu3 n ALA 90 N 12.62 -0.19 -3.30 1.44 0.00 -0.82 -4.45 120.51 125.82 3iu3 n ALA 90 Ca 0.31 -0.12 -0.34 0.00 0.00 0.00 0.00 53.44 53.29 3iu3 n ALA 90 Cb 0.48 0.09 -0.14 0.00 0.00 0.00 0.00 19.45 19.88 3iu3 n ALA 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iu3 s VAL 91 N -2.84 3.10 -0.20 0.00 1.01 -0.59 -1.18 120.40 119.69 3iu3 s VAL 91 Ca 0.02 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 3iu3 s VAL 91 Cb -0.00 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 3iu3 s VAL 91 CO 0.01 0.49 -0.03 -0.31 0.00 0.00 0.00 175.10 175.26 3iu3 s TYR 92 N 0.78 2.98 -0.12 5.22 2.02 0.41 -1.34 117.35 127.30 3iu3 s TYR 92 Ca -0.04 -0.69 -0.01 0.00 -0.37 0.00 0.00 57.07 55.96 3iu3 s TYR 92 Cb -0.15 -2.07 -0.03 0.00 -0.40 0.00 0.00 41.96 39.31 3iu3 s TYR 92 CO 0.01 -0.38 -0.07 0.71 -1.57 0.00 0.00 175.55 174.26 3iu3 s TYR 93 N 1.17 2.95 -0.06 2.71 2.02 0.07 -1.14 117.35 125.08 3iu3 s TYR 93 Ca 0.02 -0.22 -0.03 0.00 -0.37 0.00 0.00 57.07 56.47 3iu3 s TYR 93 Cb -0.14 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.54 3iu3 s TYR 93 CO -0.00 0.08 0.09 0.00 -1.57 0.00 0.00 175.55 174.15 3iu3 s SER 95 N -1.35 -0.05 0.29 0.00 1.04 -0.38 -0.60 113.70 112.65 3iu3 s SER 95 Ca 0.19 -0.07 -0.21 0.00 0.48 0.00 0.00 55.95 56.34 3iu3 s SER 95 Cb -0.12 0.25 -0.09 0.00 0.10 0.00 0.00 66.02 66.16 3iu3 s SER 95 CO 0.09 -0.36 0.81 -0.60 0.98 0.00 0.00 173.24 174.16 3iu3 s ARG 96 N -1.21 4.29 -0.26 4.02 3.52 -0.31 -1.23 118.95 127.77 3iu3 s ARG 96 Ca -0.13 0.98 -0.08 0.00 -0.13 0.00 0.00 55.73 56.37 3iu3 s ARG 96 Cb -0.06 -2.69 -0.03 0.00 -1.56 0.00 0.00 34.95 30.61 3iu3 s ARG 96 CO 0.02 0.27 0.10 0.34 -0.81 0.00 0.00 175.30 175.22 3iu3 s ASP 97 N -1.83 5.39 -0.14 -2.12 3.68 -0.72 -2.47 116.67 118.47 3iu3 s ASP 97 Ca 0.49 -0.14 0.17 0.00 2.13 0.00 0.00 52.55 55.20 3iu3 s ASP 97 Cb -0.15 -1.98 0.70 0.00 -1.45 0.00 0.00 42.92 40.05 3iu3 s ASP 97 CO 0.20 -0.03 1.62 0.00 0.13 0.00 0.00 175.17 177.09 3iu3 n TYR 98 N 4.93 1.51 0.00 -5.34 9.36 0.07 -4.48 117.16 123.20 3iu3 n TYR 98 Ca -0.16 -0.66 0.00 0.00 3.32 0.00 0.00 57.90 60.41 3iu3 n TYR 98 Cb 0.52 -0.30 0.00 0.00 -0.63 0.00 0.00 39.34 38.93 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 0.83 1.76 0.29 2.98 0.00 -1.26 -4.29 105.19 105.51 3iu3 n GLY 99 Ca 0.25 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.28 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 0.75 -2.43 1.61 0.05 -2.02 -3.47 116.97 111.47 3iu3 h TYR 100 Ca 0.00 0.03 0.16 0.00 0.05 0.00 0.00 58.73 58.97 3iu3 h TYR 100 Cb 0.00 -0.22 -0.06 0.00 1.01 0.00 0.00 36.73 37.46 3iu3 h TYR 100 CO 0.00 0.28 0.50 1.52 -1.05 0.00 0.00 178.16 179.40 3iu3 s TYR 101 N -6.03 -0.06 -0.42 4.88 1.13 -1.26 -5.11 117.35 110.47 3iu3 s TYR 101 Ca -0.12 -0.29 -0.27 0.00 -1.41 0.00 0.00 57.07 54.98 3iu3 s TYR 101 Cb 0.19 0.67 0.02 0.00 -1.10 0.00 0.00 41.96 41.74 3iu3 s TYR 101 CO 0.77 -0.90 0.98 -0.06 -2.51 0.00 0.00 175.55 173.83 3iu3 s PHE 102 N -2.95 2.97 -0.15 -3.49 0.08 -1.26 -0.75 117.98 112.43 3iu3 s PHE 102 Ca 0.15 0.65 0.19 0.00 0.12 0.00 0.00 56.93 58.04 3iu3 s PHE 102 Cb -0.02 -3.93 -0.13 0.00 -0.57 0.00 0.00 43.02 38.37 3iu3 s PHE 102 CO 0.04 -1.01 0.80 -0.40 -0.10 0.00 0.00 175.22 174.54 3iu3 n ASP 103 N 7.14 0.71 -3.93 1.36 5.75 -1.03 -4.88 116.55 121.67 3iu3 n ASP 103 Ca 0.08 0.30 -0.17 0.00 -0.01 0.00 0.00 54.79 54.99 3iu3 n ASP 103 Cb 0.48 0.49 -0.15 0.00 -1.03 0.00 0.00 41.12 40.91 3iu3 n ASP 103 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3iu3 s PHE 104 N -3.09 0.50 0.13 2.11 0.40 -1.26 -5.02 117.98 111.76 3iu3 s PHE 104 Ca -0.03 -0.10 0.08 0.00 -0.60 0.00 0.00 56.93 56.28 3iu3 s PHE 104 Cb 0.09 -0.37 -0.04 0.00 0.51 0.00 0.00 43.02 43.21 3iu3 s PHE 104 CO 0.82 -0.05 -0.18 -1.58 0.70 0.00 0.00 175.22 174.93 3iu3 s TRP 105 N 0.16 1.70 0.90 0.36 0.52 -1.26 -1.16 118.94 120.16 3iu3 s TRP 105 Ca -0.02 -0.47 -0.13 0.00 0.02 0.00 0.00 56.10 55.51 3iu3 s TRP 105 Cb -0.05 -0.88 0.13 0.00 -1.15 0.00 0.00 33.47 31.51 3iu3 s TRP 105 CO -0.00 0.25 1.16 0.20 0.02 0.00 0.00 176.95 178.57 3iu3 s GLY 106 N -2.37 1.59 0.03 0.98 0.00 0.23 -4.76 107.32 103.02 3iu3 s GLY 106 Ca 0.11 -0.61 0.21 0.00 0.00 0.00 0.00 44.72 44.43 3iu3 s GLY 106 CO 0.05 -0.05 1.67 0.61 0.00 0.00 0.00 173.10 175.38 3iu3 n GLN 107 N -3.67 0.03 0.00 2.90 -0.00 -1.26 -4.81 117.38 110.56 3iu3 n GLN 107 Ca 0.08 0.17 0.00 0.00 -0.00 0.00 0.00 57.00 57.25 3iu3 n GLN 107 Cb 0.60 -1.55 0.00 0.00 -0.00 0.00 0.00 30.24 29.29 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 0.61 0.58 2.99 2.61 0.00 -1.26 -5.01 105.19 105.70 3iu3 n GLY 108 Ca 0.05 -1.73 -0.27 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.97 1.24 -0.36 2.61 2.01 -0.29 -4.86 115.64 113.02 3iu3 s THR 109 Ca 0.00 -0.47 -0.21 0.00 0.31 0.00 0.00 61.69 61.32 3iu3 s THR 109 Cb 0.00 -1.17 0.00 0.00 0.01 0.00 0.00 72.50 71.34 3iu3 s THR 109 CO 0.00 0.39 0.65 -0.89 -0.69 0.00 0.00 174.62 174.08 3iu3 s THR 110 N 1.21 4.87 -0.19 -0.82 2.01 -1.26 -0.45 115.64 121.02 3iu3 s THR 110 Ca -0.03 0.61 -0.13 0.00 0.31 0.00 0.00 61.69 62.45 3iu3 s THR 110 Cb -0.14 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 3iu3 s THR 110 CO -0.04 -0.33 0.26 -0.22 -0.69 0.00 0.00 174.62 173.61 3iu3 s LEU 111 N 2.75 4.19 -0.13 4.42 0.20 -0.33 -1.49 118.68 128.30 3iu3 s LEU 111 Ca 0.25 0.39 0.01 0.00 0.69 0.00 0.00 54.13 55.47 3iu3 s LEU 111 Cb -0.14 -2.31 -0.01 0.00 -0.43 0.00 0.00 46.19 43.30 3iu3 s LEU 111 CO 0.15 0.07 -0.17 -0.89 -0.29 0.00 0.00 176.35 175.22 3iu3 s THR 112 N 0.75 2.64 -0.17 3.68 2.01 -0.73 -1.95 115.64 121.87 3iu3 s THR 112 Ca 0.14 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.34 3iu3 s THR 112 Cb -0.13 -2.08 0.01 0.00 0.01 0.00 0.00 72.50 70.31 3iu3 s THR 112 CO 0.04 0.53 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.64 3iu3 s VAL 113 N 0.44 2.33 0.06 3.82 1.01 -1.26 -1.00 120.40 125.80 3iu3 s VAL 113 Ca -0.12 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 60.73 3iu3 s VAL 113 Cb -0.16 -1.98 0.09 0.00 0.00 0.00 0.00 36.38 34.32 3iu3 s VAL 113 CO 0.06 0.52 0.79 -0.55 0.00 0.00 0.00 175.10 175.92 3iu3 s SER 114 N 1.16 -0.43 0.00 3.32 0.15 0.52 -4.60 113.70 113.82 3iu3 s SER 114 Ca 0.01 -0.02 0.22 0.00 0.70 0.00 0.00 55.95 56.87 3iu3 s SER 114 Cb -0.14 0.46 0.45 0.00 -1.71 0.00 0.00 66.02 65.08 3iu3 s SER 114 CO -0.08 -0.75 1.40 -1.54 1.20 0.00 0.00 173.24 173.47 3iu3 n SER 115 N -0.30 3.50 -4.83 5.45 3.41 -1.26 -3.90 113.62 115.69 3iu3 n SER 115 Ca -0.11 -1.98 -0.33 0.00 -0.26 0.00 0.00 58.87 56.19 3iu3 n SER 115 Cb 0.63 -0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 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 -1.36 3.05 0.23 7.33 0.00 -1.26 -5.08 121.76 124.67 3iu3 s ALA 116 Ca 0.39 0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.73 3iu3 s ALA 116 Cb 0.22 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 3iu3 s ALA 116 CO 0.31 -0.01 0.17 -1.54 0.00 0.00 0.00 175.76 174.68 3iu3 s SER 117 N -2.54 5.46 -0.02 0.00 1.04 -1.26 -5.05 113.70 111.33 3iu3 s SER 117 Ca 0.61 -0.25 -0.38 0.00 0.48 0.00 0.00 55.95 56.41 3iu3 s SER 117 Cb -0.09 -1.38 -0.16 0.00 0.10 0.00 0.00 66.02 64.49 3iu3 s SER 117 CO 0.20 -0.01 1.49 0.41 0.98 0.00 0.00 173.24 176.31 3iu3 n THR 118 N -0.97 0.11 -3.77 2.02 -1.04 -1.26 -4.68 114.28 104.69 3iu3 n THR 118 Ca -0.08 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.05 61.78 3iu3 n THR 118 Cb 0.57 -1.00 -0.14 0.00 -1.82 0.00 0.00 70.33 67.94 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 1.50 0.11 0.52 -2.82 2.20 0.10 -4.93 119.74 116.42 3iu3 s LYS 119 Ca 0.88 0.33 -0.18 0.00 -0.36 0.00 0.00 55.97 56.64 3iu3 s LYS 119 Cb -0.97 -0.12 -0.07 0.00 -1.51 0.00 0.00 37.83 35.16 3iu3 s LYS 119 CO 0.52 -0.13 1.04 0.20 -0.36 0.00 0.00 175.35 176.61 3iu3 s GLY 120 N 0.91 2.34 0.50 5.54 0.00 -1.26 -1.70 107.32 113.64 3iu3 s GLY 120 Ca -0.07 0.49 -0.19 0.00 0.00 0.00 0.00 44.72 44.95 3iu3 s GLY 120 CO -0.05 0.80 1.00 2.56 0.00 0.00 0.00 173.10 177.41 3iu3 s PRO 121 N -3.58 3.89 -0.03 2.90 0.04 -1.26 -4.63 135.00 132.32 3iu3 s PRO 121 Ca 0.65 1.14 -0.21 0.00 0.04 0.00 0.00 61.00 62.62 3iu3 s PRO 121 Cb -0.15 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 3iu3 s PRO 121 CO 0.26 -0.33 0.62 -1.12 0.04 0.00 0.00 177.00 176.47 3iu3 s SER 122 N -2.50 6.97 -0.30 6.66 0.01 0.54 -4.89 113.70 120.19 3iu3 s SER 122 Ca 0.63 1.15 -0.04 0.00 1.31 0.00 0.00 55.95 59.00 3iu3 s SER 122 Cb -0.12 -2.38 0.03 0.00 0.21 0.00 0.00 66.02 63.77 3iu3 s SER 122 CO 0.24 0.03 0.02 -0.69 0.41 0.00 0.00 173.24 173.25 3iu3 s VAL 123 N 0.16 3.32 -0.03 3.43 1.01 -1.26 -0.30 120.40 126.73 3iu3 s VAL 123 Ca 0.33 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3iu3 s VAL 123 Cb -0.18 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 3iu3 s VAL 123 CO 0.17 -0.02 -0.00 -0.36 0.00 0.00 0.00 175.10 174.89 3iu3 s PHE 124 N 1.35 3.09 0.34 5.22 0.08 0.58 -4.94 117.98 123.71 3iu3 s PHE 124 Ca -0.02 0.11 -0.26 0.00 0.12 0.00 0.00 56.93 56.89 3iu3 s PHE 124 Cb -0.18 -1.71 -0.09 0.00 -0.57 0.00 0.00 43.02 40.46 3iu3 s PHE 124 CO -0.00 0.46 1.00 -1.25 -0.10 0.00 0.00 175.22 175.33 3iu3 s PRO 125 N -1.30 4.45 -0.70 0.24 0.04 -1.26 0.07 135.00 136.54 3iu3 s PRO 125 Ca 0.17 1.47 -0.09 0.00 0.04 0.00 0.00 61.00 62.59 3iu3 s PRO 125 Cb -0.11 -2.78 0.18 0.00 0.04 0.00 0.00 34.50 31.83 3iu3 s PRO 125 CO 0.07 0.12 0.58 -0.51 0.04 0.00 0.00 177.00 177.31 3iu3 s LEU 126 N -2.15 6.03 0.15 -3.56 1.43 1.00 -4.78 118.68 116.79 3iu3 s LEU 126 Ca 0.52 -2.64 -0.30 0.00 -1.03 0.00 0.00 54.13 50.68 3iu3 s LEU 126 Cb -0.22 -2.05 -0.07 0.00 0.03 0.00 0.00 46.19 43.88 3iu3 s LEU 126 CO 0.28 -0.52 1.16 0.00 0.23 0.00 0.00 176.35 177.50 3iu3 s ALA 127 N 0.26 3.40 0.41 4.21 0.00 -1.26 -2.21 121.76 126.57 3iu3 s ALA 127 Ca 0.16 0.87 -0.24 0.00 0.00 0.00 0.00 51.96 52.75 3iu3 s ALA 127 Cb -0.17 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.47 3iu3 s ALA 127 CO -0.05 -0.33 1.11 -1.25 0.00 0.00 0.00 175.76 175.24 3iu3 s PRO 128 N 0.05 4.03 0.00 0.00 0.04 -1.26 -4.99 135.00 132.88 3iu3 s PRO 128 Ca 0.53 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.24 3iu3 s PRO 128 Cb -0.31 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.69 3iu3 s PRO 128 CO 0.34 -0.29 0.00 -1.13 0.04 0.00 0.00 177.00 175.96 3iu3 n SER 129 N -0.13 0.00 0.00 6.66 3.41 -1.26 -4.41 113.62 117.89 3iu3 n SER 129 Ca 0.05 -0.71 -0.12 0.00 -0.26 0.00 0.00 58.87 57.83 3iu3 n SER 129 Cb 0.48 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.36 3iu3 n SER 129 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3iu3 h SER 130 N 0.00 0.07 -2.90 4.04 4.64 -1.96 -3.20 113.55 114.24 3iu3 h SER 130 Ca 0.00 -0.18 -0.52 0.00 -0.47 0.00 0.00 61.79 60.62 3iu3 h SER 130 Cb 0.00 -0.02 0.04 0.00 -0.31 0.00 0.00 62.40 62.11 3iu3 h SER 130 CO 0.00 0.23 0.85 -0.54 -0.87 0.00 0.00 176.83 176.51 3iu3 s LYS 131 N -5.48 4.23 0.00 4.77 3.01 -1.26 -2.20 119.74 122.81 3iu3 s LYS 131 Ca -0.14 2.33 0.00 0.00 -1.01 0.00 0.00 55.97 57.15 3iu3 s LYS 131 Cb 0.05 -3.16 0.00 0.00 -1.01 0.00 0.00 37.83 33.72 3iu3 s LYS 131 CO 0.68 -0.57 0.00 0.45 0.51 0.00 0.00 175.35 176.41 3iu3 n SER 132 N 3.77 -0.85 -4.52 2.83 2.88 -1.26 -4.92 113.62 111.56 3iu3 n SER 132 Ca 0.13 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.34 3iu3 n SER 132 Cb 0.39 -0.14 -0.12 0.00 -0.75 0.00 0.00 64.21 63.59 3iu3 n SER 132 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3iu3 s THR 133 N -2.00 3.27 -0.32 2.46 2.01 -0.93 -1.21 115.64 118.91 3iu3 s THR 133 Ca 0.00 -0.75 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 3iu3 s THR 133 Cb 0.00 -2.34 0.12 0.00 0.01 0.00 0.00 72.50 70.29 3iu3 s THR 133 CO 0.00 0.52 0.17 -0.55 -0.69 0.00 0.00 174.62 174.06 3iu3 s SER 134 N -0.99 3.36 1.72 3.53 0.15 -0.05 -5.01 113.70 116.40 3iu3 s SER 134 Ca 0.13 -1.76 0.00 0.00 0.70 0.00 0.00 55.95 55.02 3iu3 s SER 134 Cb -0.11 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.75 3iu3 s SER 134 CO 0.03 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.70 3iu3 n GLY 135 N 4.63 3.09 0.05 9.45 0.00 -1.26 -2.20 105.19 118.95 3iu3 n GLY 135 Ca 0.02 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 45.97 3iu3 n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iu3 n GLY 136 N 0.00 -1.26 3.84 -0.02 0.00 -1.26 -4.82 105.19 101.67 3iu3 n GLY 136 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3iu3 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iu3 s THR 137 N -3.09 5.06 0.11 2.61 2.01 -0.93 -1.36 115.64 120.04 3iu3 s THR 137 Ca 0.08 -0.28 0.10 0.00 0.31 0.00 0.00 61.69 61.91 3iu3 s THR 137 Cb 0.12 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 3iu3 s THR 137 CO 0.39 0.35 -0.26 0.00 -0.69 0.00 0.00 174.62 174.42 3iu3 s ALA 138 N -1.24 2.24 -0.08 7.40 0.00 0.82 -0.87 121.76 130.02 3iu3 s ALA 138 Ca 0.24 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 50.86 3iu3 s ALA 138 Cb -0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 3iu3 s ALA 138 CO 0.15 0.50 -0.20 0.00 0.00 0.00 0.00 175.76 176.21 3iu3 s ALA 139 N -1.02 2.35 0.12 0.00 0.00 -0.35 -0.53 121.76 122.32 3iu3 s ALA 139 Ca 0.12 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 3iu3 s ALA 139 Cb -0.10 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 3iu3 s ALA 139 CO 0.05 0.38 0.03 -0.48 0.00 0.00 0.00 175.76 175.74 3iu3 s LEU 140 N -0.05 1.94 0.00 0.00 0.05 -0.45 -4.43 118.68 115.74 3iu3 s LEU 140 Ca -0.06 -1.17 0.00 0.00 0.05 0.00 0.00 54.13 52.96 3iu3 s LEU 140 Cb -0.14 0.24 0.00 0.00 -2.05 0.00 0.00 46.19 44.23 3iu3 s LEU 140 CO 0.05 -0.69 0.00 0.61 -0.55 0.00 0.00 176.35 175.77 3iu3 n GLY 141 N -0.07 0.97 3.03 -3.48 0.00 -0.94 -0.15 105.19 104.55 3iu3 n GLY 141 Ca -0.07 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 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 0.26 4.08 -0.49 0.00 2.96 0.11 -0.63 118.68 124.97 3iu3 s LEU 143 Ca -0.05 0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.98 3iu3 s LEU 143 Cb -0.10 -2.38 0.13 0.00 0.50 0.00 0.00 46.19 44.33 3iu3 s LEU 143 CO 0.01 -0.19 0.35 -0.69 -1.32 0.00 0.00 176.35 174.52 3iu3 s VAL 144 N 2.04 4.08 0.01 1.68 1.01 0.10 -0.30 120.40 129.01 3iu3 s VAL 144 Ca 0.14 -1.97 0.06 0.00 0.00 0.00 0.00 61.98 60.20 3iu3 s VAL 144 Cb -0.16 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 3iu3 s VAL 144 CO 0.10 -0.79 -0.17 -0.75 0.00 0.00 0.00 175.10 173.50 3iu3 s LYS 145 N 1.14 2.24 -0.74 2.72 2.20 0.59 -1.79 119.74 126.10 3iu3 s LYS 145 Ca 0.08 -0.87 -0.04 0.00 -0.36 0.00 0.00 55.97 54.78 3iu3 s LYS 145 Cb -0.24 -2.26 -0.05 0.00 -1.51 0.00 0.00 37.83 33.77 3iu3 s LYS 145 CO -0.02 0.57 0.65 -0.25 -0.36 0.00 0.00 175.35 175.94 3iu3 n ASP 146 N 1.84 -5.46 -4.26 1.43 8.00 -0.82 -0.34 116.55 116.94 3iu3 n ASP 146 Ca -0.16 -0.46 -0.20 0.00 0.71 0.00 0.00 54.79 54.67 3iu3 n ASP 146 Cb 0.52 -3.94 -0.12 0.00 -0.02 0.00 0.00 41.12 37.57 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 -3.25 1.53 -0.15 1.24 1.13 -0.65 -4.33 117.35 112.86 3iu3 s TYR 147 Ca 0.30 -0.49 -0.12 0.00 -1.41 0.00 0.00 57.07 55.34 3iu3 s TYR 147 Cb -0.04 -0.81 0.04 0.00 -1.10 0.00 0.00 41.96 40.06 3iu3 s TYR 147 CO 0.54 0.18 0.40 0.12 -2.51 0.00 0.00 175.55 174.27 3iu3 s PHE 148 N -1.76 -0.48 0.00 -3.49 2.19 -0.69 0.97 117.98 114.72 3iu3 s PHE 148 Ca 0.08 1.13 0.00 0.00 0.33 0.00 0.00 56.93 58.46 3iu3 s PHE 148 Cb -0.07 0.18 0.00 0.00 -1.31 0.00 0.00 43.02 41.82 3iu3 s PHE 148 CO 0.04 -0.25 0.00 -0.35 1.83 0.00 0.00 175.22 176.49 3iu3 n PRO 149 N 3.27 1.04 -2.50 10.12 -0.04 -1.26 0.01 135.00 145.63 3iu3 n PRO 149 Ca -0.16 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.96 3iu3 n PRO 149 Cb 0.57 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.99 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 -1.20 3.76 0.23 0.54 0.41 -1.26 -4.66 118.70 116.51 3iu3 s GLU 150 Ca 0.00 1.36 0.07 0.00 -0.41 0.00 0.00 54.97 55.99 3iu3 s GLU 150 Cb 0.00 -2.09 -0.04 0.00 -1.78 0.00 0.00 34.13 30.22 3iu3 s GLU 150 CO 0.00 -0.47 0.12 -1.25 -0.49 0.00 0.00 175.26 173.18 3iu3 s PRO 151 N -3.29 2.74 0.30 0.39 0.04 -1.26 -5.01 135.00 128.91 3iu3 s PRO 151 Ca 0.67 -1.09 0.07 0.00 0.04 0.00 0.00 61.00 60.69 3iu3 s PRO 151 Cb -0.16 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 3iu3 s PRO 151 CO 0.21 0.42 0.33 0.54 0.04 0.00 0.00 177.00 178.54 3iu3 s VAL 152 N -2.04 4.18 -0.05 -0.36 0.11 -1.26 -4.49 120.40 116.48 3iu3 s VAL 152 Ca 0.32 -1.21 0.01 0.00 -2.93 0.00 0.00 61.98 58.17 3iu3 s VAL 152 Cb -0.08 -3.41 0.02 0.00 -1.53 0.00 0.00 36.38 31.38 3iu3 s VAL 152 CO 0.23 -0.24 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.80 3iu3 s THR 153 N -2.18 0.74 -0.11 5.04 2.01 0.07 -4.97 115.64 116.25 3iu3 s THR 153 Ca 0.39 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 62.16 3iu3 s THR 153 Cb -0.08 -0.73 0.01 0.00 0.01 0.00 0.00 72.50 71.72 3iu3 s THR 153 CO 0.28 0.27 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.63 3iu3 s VAL 154 N 0.84 1.51 0.23 3.82 1.01 -1.26 -0.56 120.40 125.99 3iu3 s VAL 154 Ca -0.12 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.29 3iu3 s VAL 154 Cb -0.15 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 3iu3 s VAL 154 CO 0.01 0.44 -0.13 -0.94 0.00 0.00 0.00 175.10 174.48 3iu3 s SER 155 N 0.94 2.77 -0.12 3.32 1.04 -0.86 -4.96 113.70 115.84 3iu3 s SER 155 Ca -0.07 -1.06 0.02 0.00 0.48 0.00 0.00 55.95 55.32 3iu3 s SER 155 Cb -0.15 -0.17 -0.00 0.00 0.10 0.00 0.00 66.02 65.80 3iu3 s SER 155 CO -0.01 -0.18 -0.19 0.26 0.98 0.00 0.00 173.24 174.10 3iu3 s TRP 156 N -2.91 2.68 -1.21 5.02 0.52 -1.26 0.69 118.94 122.47 3iu3 s TRP 156 Ca 0.25 -0.93 -0.09 0.00 0.02 0.00 0.00 56.10 55.36 3iu3 s TRP 156 Cb -0.00 -1.78 -0.02 0.00 -1.15 0.00 0.00 33.47 30.52 3iu3 s TRP 156 CO 0.09 -0.37 0.76 0.09 0.02 0.00 0.00 176.95 177.54 3iu3 n ASN 157 N 3.61 -3.55 -2.91 2.95 3.02 0.87 -2.04 115.26 117.21 3iu3 n ASN 157 Ca -0.19 -0.88 -0.17 0.00 -0.03 0.00 0.00 54.58 53.31 3iu3 n ASN 157 Cb 0.53 -3.96 -0.00 0.00 -0.61 0.00 0.00 39.78 35.73 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 -2.95 -3.64 0.00 6.41 7.64 -1.26 -0.85 113.62 118.97 3iu3 n SER 158 Ca -0.19 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.62 3iu3 n SER 158 Cb 0.64 -3.06 0.00 0.00 -1.01 0.00 0.00 64.21 60.78 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 -0.98 0.73 0.17 0.23 0.00 -0.87 -4.93 105.19 99.55 3iu3 n GLY 159 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 0.83 -3.26 4.61 0.00 -0.74 -3.44 119.26 117.26 3iu3 h ALA 160 Ca 0.00 -0.54 -0.60 0.00 0.00 0.00 0.00 54.91 53.77 3iu3 h ALA 160 Cb 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 17.59 3iu3 h ALA 160 CO 0.00 0.72 -0.49 -1.17 0.00 0.00 0.00 179.25 178.31 3iu3 s LEU 161 N -7.97 4.20 0.09 0.00 2.96 -0.92 -4.94 118.68 112.11 3iu3 s LEU 161 Ca -0.04 0.23 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 3iu3 s LEU 161 Cb 0.12 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.72 3iu3 s LEU 161 CO 0.80 0.18 0.00 0.41 -1.32 0.00 0.00 176.35 176.42 3iu3 n THR 162 N 3.54 0.08 -1.74 3.68 -1.04 -1.26 -4.30 114.28 113.24 3iu3 n THR 162 Ca -0.16 0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.46 3iu3 n THR 162 Cb 0.52 -0.71 -0.02 0.00 -1.82 0.00 0.00 70.33 68.31 3iu3 n THR 162 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3iu3 n SER 163 N -2.91 3.81 0.00 8.00 7.64 -1.26 -2.39 113.62 126.52 3iu3 n SER 163 Ca 0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3iu3 n SER 163 Cb 0.07 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 61.68 3iu3 n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iu3 n GLY 164 N 2.15 1.65 3.68 0.23 0.00 -1.26 -4.79 105.19 106.86 3iu3 n GLY 164 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.93 4.77 -0.15 1.61 1.01 -1.00 -2.45 120.40 121.27 3iu3 s VAL 165 Ca 0.00 2.04 0.00 0.00 0.00 0.00 0.00 61.98 64.03 3iu3 s VAL 165 Cb 0.00 -4.31 0.02 0.00 0.00 0.00 0.00 36.38 32.09 3iu3 s VAL 165 CO 0.00 -0.01 -0.14 -1.00 0.00 0.00 0.00 175.10 173.95 3iu3 s HIS 166 N 2.11 2.17 -0.29 5.22 3.76 0.24 -4.99 115.29 123.51 3iu3 s HIS 166 Ca 0.48 -1.23 -0.04 0.00 -0.15 0.00 0.00 55.06 54.13 3iu3 s HIS 166 Cb -0.18 -1.59 0.03 0.00 1.11 0.00 0.00 32.58 31.95 3iu3 s HIS 166 CO 0.17 -0.67 0.02 -0.08 -0.85 0.00 0.00 174.74 173.33 3iu3 s THR 167 N 1.49 3.33 0.47 1.30 -1.32 -1.26 -0.16 115.64 119.48 3iu3 s THR 167 Ca 0.05 -1.05 -0.21 0.00 -1.21 0.00 0.00 61.69 59.27 3iu3 s THR 167 Cb -0.13 -2.79 -0.09 0.00 -1.51 0.00 0.00 72.50 67.98 3iu3 s THR 167 CO -0.11 0.03 1.02 -0.36 -2.21 0.00 0.00 174.62 172.99 3iu3 s PHE 168 N 1.36 3.09 0.53 9.09 0.40 -0.59 -4.99 117.98 126.87 3iu3 s PHE 168 Ca -0.01 1.59 -0.21 0.00 -0.60 0.00 0.00 56.93 57.70 3iu3 s PHE 168 Cb -0.18 -3.01 -0.07 0.00 0.51 0.00 0.00 43.02 40.27 3iu3 s PHE 168 CO -0.01 -0.64 1.04 -2.30 0.70 0.00 0.00 175.22 174.02 3iu3 n PRO 169 N -0.84 1.20 -2.35 0.24 -0.02 -1.26 -4.57 135.00 127.40 3iu3 n PRO 169 Ca 0.09 0.45 -0.40 0.00 -2.02 0.00 0.00 63.50 61.61 3iu3 n PRO 169 Cb 0.53 -2.19 -0.04 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 -1.40 3.43 -0.11 3.55 0.00 -1.26 -4.79 121.76 121.18 3iu3 s ALA 170 Ca 0.70 1.02 -0.02 0.00 0.00 0.00 0.00 51.96 53.66 3iu3 s ALA 170 Cb -0.46 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.25 3iu3 s ALA 170 CO 0.51 -0.33 -0.02 0.14 0.00 0.00 0.00 175.76 176.07 3iu3 s VAL 171 N -1.17 4.14 -0.26 0.00 -7.23 -0.05 -4.92 120.40 110.91 3iu3 s VAL 171 Ca 0.46 -0.30 -0.29 0.00 -1.81 0.00 0.00 61.98 60.04 3iu3 s VAL 171 Cb -0.34 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 33.84 3iu3 s VAL 171 CO 0.45 0.56 1.20 -0.22 -0.31 0.00 0.00 175.10 176.78 3iu3 s LEU 172 N -0.43 4.00 0.82 1.32 2.96 -1.26 -2.01 118.68 124.07 3iu3 s LEU 172 Ca 0.07 1.31 -0.12 0.00 -0.22 0.00 0.00 54.13 55.18 3iu3 s LEU 172 Cb -0.12 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.11 3iu3 s LEU 172 CO 0.02 -0.90 1.13 -1.10 -1.32 0.00 0.00 176.35 174.19 3iu3 s GLN 173 N 3.75 1.90 0.43 1.98 -0.21 0.06 -4.97 119.66 122.59 3iu3 s GLN 173 Ca 0.52 0.36 0.22 0.00 0.02 0.00 0.00 55.36 56.48 3iu3 s GLN 173 Cb -0.17 -1.92 0.88 0.00 1.00 0.00 0.00 33.01 32.80 3iu3 s GLN 173 CO 0.17 -1.69 1.81 0.66 -2.12 0.00 0.00 175.29 174.12 3iu3 h SER 174 N -1.13 0.00 0.72 5.90 4.64 -1.96 -2.70 113.55 119.02 3iu3 h SER 174 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3iu3 h SER 174 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3iu3 h SER 174 CO 0.63 0.27 0.00 -1.54 -0.87 0.00 0.00 176.83 175.31 3iu3 n SER 175 N -3.46 0.52 0.00 4.97 3.41 -1.26 -4.88 113.62 112.91 3iu3 n SER 175 Ca -0.00 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 3iu3 n SER 175 Cb 0.44 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 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 0.10 0.45 3.89 5.00 0.00 -1.02 -4.98 105.19 108.63 3iu3 n GLY 176 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 4.09 0.44 0.99 1.43 -1.26 -4.84 118.68 119.53 3iu3 s LEU 177 Ca 0.00 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 3iu3 s LEU 177 Cb 0.00 -2.65 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 3iu3 s LEU 177 CO 0.00 0.00 0.68 -0.31 0.23 0.00 0.00 176.35 176.96 3iu3 s TYR 178 N -1.89 3.40 -0.10 0.29 2.02 0.27 -0.76 117.35 120.58 3iu3 s TYR 178 Ca 0.33 0.46 -0.22 0.00 -0.37 0.00 0.00 57.07 57.27 3iu3 s TYR 178 Cb -0.10 -2.21 0.05 0.00 -0.40 0.00 0.00 41.96 39.30 3iu3 s TYR 178 CO 0.27 -0.22 0.53 0.45 -1.57 0.00 0.00 175.55 175.00 3iu3 s SER 179 N -4.14 -0.50 0.24 2.29 0.15 -0.85 -1.64 113.70 109.25 3iu3 s SER 179 Ca 0.46 0.70 -0.16 0.00 0.70 0.00 0.00 55.95 57.64 3iu3 s SER 179 Cb -0.10 0.71 0.01 0.00 -1.71 0.00 0.00 66.02 64.93 3iu3 s SER 179 CO 0.40 -0.40 0.56 -1.48 1.20 0.00 0.00 173.24 173.51 3iu3 s LEU 180 N -0.65 0.09 0.03 3.45 0.05 -0.74 -0.87 118.68 120.04 3iu3 s LEU 180 Ca -0.07 -0.71 0.08 0.00 0.05 0.00 0.00 54.13 53.47 3iu3 s LEU 180 Cb -0.03 2.15 -0.03 0.00 -2.05 0.00 0.00 46.19 46.24 3iu3 s LEU 180 CO 0.05 -1.18 -0.23 -0.44 -0.55 0.00 0.00 176.35 174.00 3iu3 s SER 181 N -2.95 2.77 -0.09 1.48 0.01 -1.26 -0.73 113.70 112.94 3iu3 s SER 181 Ca 0.15 -0.53 0.02 0.00 1.31 0.00 0.00 55.95 56.91 3iu3 s SER 181 Cb -0.02 -0.25 -0.02 0.00 0.21 0.00 0.00 66.02 65.94 3iu3 s SER 181 CO 0.05 0.22 -0.16 -0.55 0.41 0.00 0.00 173.24 173.21 3iu3 s SER 182 N -1.08 3.83 -0.01 2.44 0.15 0.20 -1.54 113.70 117.68 3iu3 s SER 182 Ca 0.09 -0.32 -0.01 0.00 0.70 0.00 0.00 55.95 56.42 3iu3 s SER 182 Cb -0.09 -1.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.03 3iu3 s SER 182 CO 0.01 0.24 0.03 -0.69 1.20 0.00 0.00 173.24 174.03 3iu3 s VAL 183 N -0.13 -0.00 -0.00 4.45 1.01 0.77 0.29 120.40 126.78 3iu3 s VAL 183 Ca -0.02 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3iu3 s VAL 183 Cb -0.14 -0.05 -0.00 0.00 0.00 0.00 0.00 36.38 36.19 3iu3 s VAL 183 CO 0.04 0.00 -0.05 0.54 0.00 0.00 0.00 175.10 175.62 3iu3 s VAL 184 N 0.05 0.43 -0.16 2.92 0.11 0.79 0.79 120.40 125.33 3iu3 s VAL 184 Ca -0.00 -0.23 -0.07 0.00 -2.93 0.00 0.00 61.98 58.74 3iu3 s VAL 184 Cb -0.01 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 3iu3 s VAL 184 CO -0.00 0.12 0.08 0.42 -3.33 0.00 0.00 175.10 172.40 3iu3 s THR 185 N -0.12 5.01 0.18 5.04 -4.23 -1.03 -1.34 115.64 119.15 3iu3 s THR 185 Ca 0.02 0.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.59 3iu3 s THR 185 Cb -0.02 -3.23 -0.05 0.00 1.34 0.00 0.00 72.50 70.55 3iu3 s THR 185 CO -0.00 0.52 -0.00 0.68 -0.54 0.00 0.00 174.62 175.27 3iu3 s VAL 186 N -0.16 0.74 0.44 2.29 -7.23 0.31 -4.69 120.40 112.10 3iu3 s VAL 186 Ca 0.08 -1.99 -0.25 0.00 -1.81 0.00 0.00 61.98 58.01 3iu3 s VAL 186 Cb -0.12 -2.14 -0.08 0.00 0.56 0.00 0.00 36.38 34.60 3iu3 s VAL 186 CO 0.01 -0.46 1.37 -2.84 -0.31 0.00 0.00 175.10 172.86 3iu3 s PRO 187 N -3.90 3.74 0.33 4.82 0.02 -1.26 -0.12 135.00 138.62 3iu3 s PRO 187 Ca 0.24 2.28 0.06 0.00 0.02 0.00 0.00 61.00 63.60 3iu3 s PRO 187 Cb 0.06 -2.65 0.58 0.00 0.02 0.00 0.00 34.50 32.51 3iu3 s PRO 187 CO 0.04 -0.72 1.81 0.77 -0.33 0.00 0.00 177.00 178.58 3iu3 h SER 188 N 2.37 0.37 -0.12 2.53 0.02 -1.51 -2.95 113.55 114.25 3iu3 h SER 188 Ca -0.50 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.25 3iu3 h SER 188 Cb 1.26 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 3iu3 h SER 188 CO 0.61 0.57 -0.24 0.77 -1.14 0.00 0.00 176.83 177.40 3iu3 h SER 189 N 0.35 0.57 0.01 3.07 4.64 -1.92 -2.76 113.55 117.51 3iu3 h SER 189 Ca 0.06 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3iu3 h SER 189 Cb 0.52 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3iu3 h SER 189 CO 0.03 0.81 0.00 -1.54 -0.87 0.00 0.00 176.83 175.26 3iu3 n SER 190 N -4.12 0.00 0.19 4.97 3.41 -1.12 -3.35 113.62 113.61 3iu3 n SER 190 Ca -0.00 -0.81 0.05 0.00 -0.26 0.00 0.00 58.87 57.84 3iu3 n SER 190 Cb 0.41 -0.01 0.35 0.00 -0.26 0.00 0.00 64.21 64.71 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 0.15 1.04 5.85 -1.54 -1.08 115.31 119.73 3iu3 h LEU 191 Ca 0.00 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.47 3iu3 h LEU 191 Cb 0.00 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.05 3iu3 h LEU 191 CO 0.00 0.39 -1.16 1.23 -0.34 0.00 0.00 178.44 178.56 3iu3 h GLY 192 N 1.70 0.37 0.12 3.75 0.00 -1.77 -3.41 103.07 103.82 3iu3 h GLY 192 Ca -0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 47.33 46.38 3iu3 h GLY 192 CO 0.05 0.82 -0.04 -0.91 0.00 0.00 0.00 176.54 176.46 3iu3 h THR 193 N -0.25 0.39 -3.76 4.70 1.35 -1.73 -3.46 112.91 110.14 3iu3 h THR 193 Ca -0.22 -1.16 -0.49 0.00 -0.55 0.00 0.00 66.41 63.98 3iu3 h THR 193 Cb 1.78 0.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.91 3iu3 h THR 193 CO 0.14 0.12 0.39 -1.10 -0.25 0.00 0.00 175.52 174.82 3iu3 s GLN 194 N -2.20 4.79 -0.11 4.72 -1.52 -0.41 -5.06 119.66 119.87 3iu3 s GLN 194 Ca -0.06 1.59 -0.05 0.00 -1.95 0.00 0.00 55.36 54.89 3iu3 s GLN 194 Cb -0.00 -3.25 -0.04 0.00 -0.22 0.00 0.00 33.01 29.50 3iu3 s GLN 194 CO 0.21 0.42 0.07 -0.08 -0.25 0.00 0.00 175.29 175.66 3iu3 s THR 195 N -1.15 4.93 -0.21 -0.19 -1.32 -1.26 -4.70 115.64 111.73 3iu3 s THR 195 Ca 0.42 -0.01 0.01 0.00 -1.21 0.00 0.00 61.69 60.90 3iu3 s THR 195 Cb -0.28 -3.12 0.04 0.00 -1.51 0.00 0.00 72.50 67.63 3iu3 s THR 195 CO 0.35 0.61 -0.14 -0.31 -2.21 0.00 0.00 174.62 172.91 3iu3 s TYR 196 N -0.90 2.74 -0.09 9.09 2.02 -1.26 -4.95 117.35 124.00 3iu3 s TYR 196 Ca 0.14 -1.78 0.02 0.00 -0.37 0.00 0.00 57.07 55.08 3iu3 s TYR 196 Cb -0.12 -1.80 0.01 0.00 -0.40 0.00 0.00 41.96 39.65 3iu3 s TYR 196 CO 0.03 -0.80 -0.16 0.42 -1.57 0.00 0.00 175.55 173.47 3iu3 s ILE 197 N 1.29 1.51 -0.02 2.71 1.01 -1.26 -0.29 121.20 126.15 3iu3 s ILE 197 Ca -0.01 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 59.82 3iu3 s ILE 197 Cb -0.16 -1.36 -0.05 0.00 0.01 0.00 0.00 42.46 40.90 3iu3 s ILE 197 CO -0.09 0.44 0.39 0.00 0.00 0.00 0.00 174.94 175.68 3iu3 s ASN 199 N -0.96 5.49 -0.30 0.00 0.01 0.22 -1.80 114.94 117.61 3iu3 s ASN 199 Ca 0.23 -1.81 -0.12 0.00 -0.71 0.00 0.00 52.86 50.45 3iu3 s ASN 199 Cb -0.16 -1.93 -0.04 0.00 0.41 0.00 0.00 41.25 39.53 3iu3 s ASN 199 CO 0.12 -0.58 0.25 -0.69 -1.51 0.00 0.00 177.10 174.69 3iu3 s VAL 200 N 1.30 5.27 -0.14 1.60 1.01 -0.61 -2.03 120.40 126.80 3iu3 s VAL 200 Ca 0.05 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.19 3iu3 s VAL 200 Cb -0.24 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.53 3iu3 s VAL 200 CO -0.01 0.14 -0.20 0.21 0.00 0.00 0.00 175.10 175.24 3iu3 s ASN 201 N 1.73 2.94 -0.51 3.32 3.04 0.27 -1.61 114.94 124.12 3iu3 s ASN 201 Ca 0.09 -0.56 0.04 0.00 0.04 0.00 0.00 52.86 52.46 3iu3 s ASN 201 Cb -0.16 -1.36 0.13 0.00 -1.54 0.00 0.00 41.25 38.33 3iu3 s ASN 201 CO 0.11 0.05 0.27 -2.28 -3.04 0.00 0.00 177.10 172.21 3iu3 s HIS 202 N 0.91 2.84 0.25 0.43 5.65 -0.96 -0.75 115.29 123.66 3iu3 s HIS 202 Ca -0.06 -2.96 -0.03 0.00 0.25 0.00 0.00 55.06 52.26 3iu3 s HIS 202 Cb -0.15 -2.52 0.40 0.00 -1.18 0.00 0.00 32.58 29.12 3iu3 s HIS 202 CO -0.03 -0.74 1.85 0.87 -0.65 0.00 0.00 174.74 176.04 3iu3 h LYS 203 N 6.48 0.97 -0.84 2.88 1.57 -1.79 -2.36 116.57 123.48 3iu3 h LYS 203 Ca -0.04 -0.06 0.24 0.00 -1.87 0.00 0.00 60.65 58.92 3iu3 h LYS 203 Cb 0.89 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 3iu3 h LYS 203 CO 0.63 0.64 0.61 -1.35 -0.57 0.00 0.00 179.45 179.41 3iu3 h PRO 204 N 1.00 0.01 -0.23 3.15 0.11 -1.94 -1.67 132.00 132.42 3iu3 h PRO 204 Ca 0.41 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 3iu3 h PRO 204 Cb 0.26 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3iu3 h PRO 204 CO -0.20 0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 176.46 3iu3 n SER 205 N -4.29 2.62 0.00 -2.05 3.41 -0.91 -4.97 113.62 107.44 3iu3 n SER 205 Ca 0.17 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 3iu3 n SER 205 Cb 0.91 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 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 0.66 -4.67 -4.87 4.04 5.15 -0.63 -4.90 115.26 110.05 3iu3 n ASN 206 Ca 0.11 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.78 3iu3 n ASN 206 Cb 0.39 -3.05 -0.03 0.00 -0.53 0.00 0.00 39.78 36.56 3iu3 n ASN 206 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3iu3 s THR 207 N -0.89 4.74 -0.29 -0.44 -4.23 -1.19 -5.00 115.64 108.34 3iu3 s THR 207 Ca 0.00 0.72 -0.14 0.00 -1.18 0.00 0.00 61.69 61.10 3iu3 s THR 207 Cb 0.00 -3.73 0.12 0.00 1.34 0.00 0.00 72.50 70.22 3iu3 s THR 207 CO 0.00 -0.56 0.74 -0.75 -0.54 0.00 0.00 174.62 173.51 3iu3 s LYS 208 N -3.91 0.58 0.01 3.99 2.36 -1.26 -2.28 119.74 119.24 3iu3 s LYS 208 Ca 0.53 1.19 0.06 0.00 -2.55 0.00 0.00 55.97 55.20 3iu3 s LYS 208 Cb -0.10 0.44 -0.02 0.00 -1.05 0.00 0.00 37.83 37.10 3iu3 s LYS 208 CO 0.32 -0.15 -0.19 0.14 1.55 0.00 0.00 175.35 177.01 3iu3 s VAL 209 N 2.15 1.49 -0.28 4.02 -7.23 -0.63 -5.02 120.40 114.89 3iu3 s VAL 209 Ca -0.08 -0.96 -0.07 0.00 -1.81 0.00 0.00 61.98 59.06 3iu3 s VAL 209 Cb -0.08 -1.27 -0.00 0.00 0.56 0.00 0.00 36.38 35.59 3iu3 s VAL 209 CO -0.19 0.29 0.08 -1.81 -0.31 0.00 0.00 175.10 173.16 3iu3 s ASP 210 N -0.79 5.16 -0.16 4.85 1.11 -1.26 -1.58 116.67 124.00 3iu3 s ASP 210 Ca 0.07 -0.54 -0.04 0.00 0.18 0.00 0.00 52.55 52.21 3iu3 s ASP 210 Cb -0.08 -1.90 -0.03 0.00 1.07 0.00 0.00 42.92 41.98 3iu3 s ASP 210 CO 0.00 -0.15 -0.03 -0.75 1.18 0.00 0.00 175.17 175.42 3iu3 s LYS 211 N 1.55 3.67 -0.17 8.23 2.47 -0.74 -4.98 119.74 129.76 3iu3 s LYS 211 Ca 0.04 -0.52 -0.20 0.00 -1.56 0.00 0.00 55.97 53.73 3iu3 s LYS 211 Cb -0.17 -2.93 -0.03 0.00 -1.46 0.00 0.00 37.83 33.24 3iu3 s LYS 211 CO 0.03 0.22 0.57 0.50 0.16 0.00 0.00 175.35 176.83 3iu3 s ARG 212 N 0.43 4.26 -0.14 4.03 3.52 -1.26 -1.43 118.95 128.36 3iu3 s ARG 212 Ca -0.03 0.55 -0.05 0.00 -0.13 0.00 0.00 55.73 56.07 3iu3 s ARG 212 Cb -0.14 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 3iu3 s ARG 212 CO 0.03 -0.09 0.03 0.08 -0.81 0.00 0.00 175.30 174.54 3iu3 s VAL 213 N 1.43 4.54 0.10 7.11 1.01 0.60 -4.94 120.40 130.26 3iu3 s VAL 213 Ca 0.28 -0.14 -0.25 0.00 0.00 0.00 0.00 61.98 61.87 3iu3 s VAL 213 Cb -0.16 -2.99 0.07 0.00 0.00 0.00 0.00 36.38 33.31 3iu3 s VAL 213 CO 0.11 0.53 0.63 -1.83 0.00 0.00 0.00 175.10 174.53 3iu3 s GLU 214 N -0.16 1.22 0.00 2.72 -1.05 -1.26 -4.15 118.70 116.02 3iu3 s GLU 214 Ca 0.06 -0.28 0.00 0.00 -0.15 0.00 0.00 54.97 54.60 3iu3 s GLU 214 Cb -0.12 0.56 0.01 0.00 -0.44 0.00 0.00 34.13 34.14 3iu3 s GLU 214 CO 0.02 -0.50 0.51 -2.30 0.95 0.00 0.00 175.26 173.94