#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 3.36 -0.36 1.08 1.02 -1.26 -1.41 118.68 121.11 3iu3 s LEU 2 Ca 0.00 -1.43 -0.02 0.00 0.02 0.00 0.00 54.13 52.69 3iu3 s LEU 2 Cb 0.00 -1.46 0.08 0.00 0.02 0.00 0.00 46.19 44.84 3iu3 s LEU 2 CO 0.00 -0.23 0.11 -1.58 0.02 0.00 0.00 176.35 174.68 3iu3 s GLN 3 N 1.16 2.17 0.40 1.70 2.00 -0.15 -4.20 119.66 122.73 3iu3 s GLN 3 Ca -0.06 -1.57 -0.08 0.00 -2.00 0.00 0.00 55.36 51.65 3iu3 s GLN 3 Cb -0.20 -3.40 -0.06 0.00 0.80 0.00 0.00 33.01 30.16 3iu3 s GLN 3 CO -0.06 -0.87 0.73 -0.65 -0.50 0.00 0.00 175.29 173.94 3iu3 s GLN 4 N 1.19 3.70 0.71 1.67 -0.21 -1.26 -0.22 119.66 125.24 3iu3 s GLN 4 Ca 0.03 0.32 -0.11 0.00 0.02 0.00 0.00 55.36 55.62 3iu3 s GLN 4 Cb -0.21 -2.44 0.02 0.00 1.00 0.00 0.00 33.01 31.38 3iu3 s GLN 4 CO -0.03 -0.02 1.07 -1.54 -2.12 0.00 0.00 175.29 172.65 3iu3 s SER 5 N -3.34 5.22 0.99 5.90 1.04 -0.98 -4.96 113.70 117.56 3iu3 s SER 5 Ca 0.49 1.63 -0.13 0.00 0.48 0.00 0.00 55.95 58.41 3iu3 s SER 5 Cb -0.10 -2.47 0.18 0.00 0.10 0.00 0.00 66.02 63.72 3iu3 s SER 5 CO 0.34 -1.55 1.13 -0.83 0.98 0.00 0.00 173.24 173.31 3iu3 s GLY 6 N -3.75 1.58 0.05 7.32 0.00 -1.26 -4.52 107.32 106.74 3iu3 s GLY 6 Ca 0.59 -0.57 -0.36 0.00 0.00 0.00 0.00 44.72 44.38 3iu3 s GLY 6 CO 0.55 0.07 1.49 2.41 0.00 0.00 0.00 173.10 177.62 3iu3 n THR 7 N -4.05 0.08 -4.27 0.90 -1.04 -1.26 -4.75 114.28 99.88 3iu3 n THR 7 Ca 0.07 -0.01 -0.30 0.00 -2.04 0.00 0.00 64.05 61.76 3iu3 n THR 7 Cb 0.59 -1.13 -0.10 0.00 -1.82 0.00 0.00 70.33 67.87 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 1.21 3.54 0.06 12.58 1.01 -0.11 -4.99 120.40 133.70 3iu3 s VAL 8 Ca 0.85 -1.10 0.09 0.00 0.00 0.00 0.00 61.98 61.82 3iu3 s VAL 8 Cb -0.88 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 3iu3 s VAL 8 CO 0.47 0.18 -0.25 -0.76 0.00 0.00 0.00 175.10 174.74 3iu3 s LEU 9 N -2.03 2.20 0.02 3.92 1.02 -1.26 -1.87 118.68 120.69 3iu3 s LEU 9 Ca 0.21 -0.61 -0.20 0.00 0.02 0.00 0.00 54.13 53.54 3iu3 s LEU 9 Cb -0.11 -1.21 0.04 0.00 0.02 0.00 0.00 46.19 44.93 3iu3 s LEU 9 CO 0.13 0.22 0.46 0.00 0.02 0.00 0.00 176.35 177.18 3iu3 s ALA 10 N -0.86 -1.16 0.39 4.21 0.00 -0.52 -4.95 121.76 118.86 3iu3 s ALA 10 Ca 0.11 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.58 3iu3 s ALA 10 Cb -0.10 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 3iu3 s ALA 10 CO 0.03 -0.43 0.64 1.03 0.00 0.00 0.00 175.76 177.03 3iu3 s ARG 11 N -2.12 3.53 0.04 0.00 0.52 -1.25 -0.76 118.95 118.91 3iu3 s ARG 11 Ca -0.07 -0.09 -0.30 0.00 -0.52 0.00 0.00 55.73 54.74 3iu3 s ARG 11 Cb -0.01 -2.55 -0.08 0.00 0.52 0.00 0.00 34.95 32.83 3iu3 s ARG 11 CO 0.00 0.03 1.69 -2.14 0.02 0.00 0.00 175.30 174.90 3iu3 s PRO 12 N -4.38 4.19 0.00 3.54 0.02 -1.26 -2.63 135.00 134.48 3iu3 s PRO 12 Ca 0.43 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.80 3iu3 s PRO 12 Cb -0.10 -3.74 0.00 0.00 0.02 0.00 0.00 34.50 30.68 3iu3 s PRO 12 CO 0.38 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 3iu3 n GLY 13 N 4.09 2.17 2.01 0.52 0.00 0.25 -4.91 105.19 109.33 3iu3 n GLY 13 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.45 -1.51 -2.47 4.61 0.00 -1.08 -3.95 120.51 115.67 3iu3 n ALA 14 Ca 0.00 -0.92 -0.24 0.00 0.00 0.00 0.00 53.44 52.28 3iu3 n ALA 14 Cb 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.29 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 -3.34 3.44 -0.13 0.00 0.01 -1.26 -1.25 113.70 111.16 3iu3 s SER 15 Ca 0.40 -1.10 -0.18 0.00 1.31 0.00 0.00 55.95 56.39 3iu3 s SER 15 Cb -0.03 -0.28 0.04 0.00 0.21 0.00 0.00 66.02 65.96 3iu3 s SER 15 CO 0.30 -0.09 0.46 0.54 0.41 0.00 0.00 173.24 174.85 3iu3 s VAL 16 N -2.64 0.01 -0.20 3.43 0.11 -1.00 -4.99 120.40 115.11 3iu3 s VAL 16 Ca 0.30 -0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 3iu3 s VAL 16 Cb -0.01 -0.68 0.04 0.00 -1.53 0.00 0.00 36.38 34.20 3iu3 s VAL 16 CO 0.14 -0.06 -0.12 -0.75 -3.33 0.00 0.00 175.10 170.99 3iu3 s LYS 17 N -0.25 2.17 0.26 1.54 2.20 -1.26 -1.37 119.74 123.03 3iu3 s LYS 17 Ca -0.04 -0.89 0.08 0.00 -0.36 0.00 0.00 55.97 54.76 3iu3 s LYS 17 Cb -0.03 -2.48 -0.04 0.00 -1.51 0.00 0.00 37.83 33.77 3iu3 s LYS 17 CO 0.02 -0.41 0.16 0.00 -0.36 0.00 0.00 175.35 174.76 3iu3 s MET 18 N 1.35 2.77 0.29 4.03 0.23 -0.58 -4.95 119.30 122.44 3iu3 s MET 18 Ca -0.01 -1.16 0.06 0.00 -1.03 0.00 0.00 55.69 53.55 3iu3 s MET 18 Cb -0.16 -2.46 -0.06 0.00 -1.53 0.00 0.00 34.83 30.62 3iu3 s MET 18 CO -0.08 0.37 -0.05 -1.54 -2.03 0.00 0.00 175.02 171.69 3iu3 s SER 19 N -3.82 2.78 -0.32 -1.18 1.04 -1.26 -1.69 113.70 109.25 3iu3 s SER 19 Ca 0.33 -1.21 -0.00 0.00 0.48 0.00 0.00 55.95 55.55 3iu3 s SER 19 Cb -0.07 -0.17 0.13 0.00 0.10 0.00 0.00 66.02 66.01 3iu3 s SER 19 CO 0.24 -0.36 0.26 0.00 0.98 0.00 0.00 173.24 174.35 3iu3 s LYS 21 N 1.78 4.07 0.18 0.00 2.36 0.69 -1.48 119.74 127.34 3iu3 s LYS 21 Ca 0.13 0.99 -0.08 0.00 -2.55 0.00 0.00 55.97 54.46 3iu3 s LYS 21 Cb -0.17 -3.72 -0.06 0.00 -1.05 0.00 0.00 37.83 32.83 3iu3 s LYS 21 CO -0.19 -0.80 0.47 0.00 1.55 0.00 0.00 175.35 176.38 3iu3 s ALA 22 N 3.40 3.67 -0.28 3.13 0.00 0.11 -0.98 121.76 130.80 3iu3 s ALA 22 Ca 0.42 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 51.82 3iu3 s ALA 22 Cb -0.13 -2.31 0.12 0.00 0.00 0.00 0.00 23.12 20.80 3iu3 s ALA 22 CO 0.13 0.57 0.89 -1.54 0.00 0.00 0.00 175.76 175.82 3iu3 s SER 23 N -2.32 -0.63 0.00 0.00 1.04 -0.50 -4.81 113.70 106.48 3iu3 s SER 23 Ca 0.43 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.91 3iu3 s SER 23 Cb -0.12 1.22 0.00 0.00 0.10 0.00 0.00 66.02 67.22 3iu3 s SER 23 CO 0.22 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.88 3iu3 n GLY 24 N 3.63 1.21 3.73 7.32 0.00 -1.26 -4.03 105.19 115.79 3iu3 n GLY 24 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.06 -0.65 1.61 1.13 -1.26 -5.11 117.35 111.00 3iu3 s TYR 25 Ca 0.00 -0.17 -0.28 0.00 -1.41 0.00 0.00 57.07 55.22 3iu3 s TYR 25 Cb 0.00 0.61 0.03 0.00 -1.10 0.00 0.00 41.96 41.49 3iu3 s TYR 25 CO 0.00 -0.59 1.29 -1.12 -2.51 0.00 0.00 175.55 172.62 3iu3 s SER 26 N -3.06 6.23 0.37 -0.18 0.01 -1.26 -4.90 113.70 110.91 3iu3 s SER 26 Ca 0.15 -0.12 0.05 0.00 1.31 0.00 0.00 55.95 57.35 3iu3 s SER 26 Cb 0.01 -2.55 0.75 0.00 0.21 0.00 0.00 66.02 64.43 3iu3 s SER 26 CO 0.00 -1.71 2.00 0.15 0.41 0.00 0.00 173.24 174.09 3iu3 h PHE 27 N 10.16 0.71 0.00 2.43 3.57 -1.96 -2.37 116.94 129.48 3iu3 h PHE 27 Ca -0.27 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.25 3iu3 h PHE 27 Cb 1.06 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.56 3iu3 h PHE 27 CO 1.08 0.41 0.00 0.25 -2.23 0.00 0.00 178.31 177.82 3iu3 n THR 28 N -4.46 0.46 0.27 4.41 -2.24 -1.26 -3.69 114.28 107.76 3iu3 n THR 28 Ca 0.08 0.03 0.11 0.00 -2.27 0.00 0.00 64.05 62.00 3iu3 n THR 28 Cb 0.15 -0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 67.63 3iu3 n THR 28 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3iu3 n ARG 29 N -1.74 0.49 -4.32 -0.78 3.00 -0.89 -2.56 116.66 109.85 3iu3 n ARG 29 Ca 0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.64 3iu3 n ARG 29 Cb 0.30 -1.67 -0.10 0.00 0.00 0.00 0.00 32.46 31.00 3iu3 n ARG 29 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3iu3 s TYR 30 N -3.33 2.56 0.29 -0.14 2.02 -1.24 -5.06 117.35 112.45 3iu3 s TYR 30 Ca -0.00 -0.25 -0.25 0.00 -0.37 0.00 0.00 57.07 56.20 3iu3 s TYR 30 Cb 0.12 -1.24 -0.09 0.00 -0.40 0.00 0.00 41.96 40.35 3iu3 s TYR 30 CO 0.82 0.52 0.88 -1.58 -1.57 0.00 0.00 175.55 174.62 3iu3 s TRP 31 N -1.75 3.70 -0.24 2.71 0.52 -1.26 -4.32 118.94 118.30 3iu3 s TRP 31 Ca 0.25 1.69 0.02 0.00 0.02 0.00 0.00 56.10 58.07 3iu3 s TRP 31 Cb -0.08 -2.85 0.06 0.00 -1.15 0.00 0.00 33.47 29.45 3iu3 s TRP 31 CO 0.14 0.26 -0.08 1.41 0.02 0.00 0.00 176.95 178.71 3iu3 s MET 32 N -1.96 1.89 0.24 4.98 1.75 -0.80 -0.95 119.30 124.45 3iu3 s MET 32 Ca 0.47 -1.12 -0.01 0.00 -1.25 0.00 0.00 55.69 53.78 3iu3 s MET 32 Cb -0.19 -2.70 -0.04 0.00 2.84 0.00 0.00 34.83 34.74 3iu3 s MET 32 CO 0.24 -0.58 0.43 -1.01 -0.65 0.00 0.00 175.02 173.45 3iu3 s HIS 33 N 1.28 3.48 -0.09 4.11 3.76 0.11 -1.83 115.29 126.11 3iu3 s HIS 33 Ca -0.07 0.35 0.02 0.00 -0.15 0.00 0.00 55.06 55.20 3iu3 s HIS 33 Cb -0.19 -1.86 0.01 0.00 1.11 0.00 0.00 32.58 31.65 3iu3 s HIS 33 CO -0.06 0.32 -0.14 -1.58 -0.85 0.00 0.00 174.74 172.44 3iu3 s TRP 34 N -1.97 1.79 -0.09 1.40 0.52 -0.51 -0.24 118.94 119.84 3iu3 s TRP 34 Ca 0.39 -0.78 0.02 0.00 0.02 0.00 0.00 56.10 55.75 3iu3 s TRP 34 Cb -0.11 -1.30 0.01 0.00 -1.15 0.00 0.00 33.47 30.92 3iu3 s TRP 34 CO 0.30 -0.41 -0.16 0.42 0.02 0.00 0.00 176.95 177.13 3iu3 s ILE 35 N 0.90 1.46 -0.06 2.03 1.09 0.36 -0.97 121.20 126.01 3iu3 s ILE 35 Ca -0.09 -0.65 -0.14 0.00 -1.10 0.00 0.00 60.65 58.67 3iu3 s ILE 35 Cb -0.15 -1.31 -0.05 0.00 -1.06 0.00 0.00 42.46 39.88 3iu3 s ILE 35 CO 0.00 0.43 0.35 -0.75 -0.10 0.00 0.00 174.94 174.87 3iu3 s LYS 36 N 0.72 3.93 -0.29 2.79 2.20 0.15 -0.98 119.74 128.26 3iu3 s LYS 36 Ca -0.13 0.27 -0.03 0.00 -0.36 0.00 0.00 55.97 55.73 3iu3 s LYS 36 Cb -0.16 -3.27 0.10 0.00 -1.51 0.00 0.00 37.83 32.99 3iu3 s LYS 36 CO 0.03 0.58 0.12 -1.14 -0.36 0.00 0.00 175.35 174.58 3iu3 s GLN 37 N -0.66 0.36 0.44 4.03 0.74 -0.43 -0.61 119.66 123.54 3iu3 s GLN 37 Ca 0.21 -0.70 -0.24 0.00 0.05 0.00 0.00 55.36 54.69 3iu3 s GLN 37 Cb -0.15 -1.45 -0.08 0.00 1.10 0.00 0.00 33.01 32.43 3iu3 s GLN 37 CO 0.10 -1.00 1.18 1.03 -0.55 0.00 0.00 175.29 176.05 3iu3 s ARG 38 N 1.94 3.84 -0.09 1.67 0.52 -1.26 -1.27 118.95 124.31 3iu3 s ARG 38 Ca 0.09 1.83 -0.35 0.00 -0.52 0.00 0.00 55.73 56.78 3iu3 s ARG 38 Cb -0.16 -2.51 -0.12 0.00 0.52 0.00 0.00 34.95 32.68 3iu3 s ARG 38 CO -0.32 -0.50 1.84 -2.30 0.02 0.00 0.00 175.30 174.04 3iu3 n PRO 39 N -0.29 2.08 0.00 3.54 -0.02 -1.26 -1.02 135.00 138.02 3iu3 n PRO 39 Ca 0.06 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3iu3 n PRO 39 Cb 0.47 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 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 4.30 2.32 1.54 -1.23 0.00 -1.26 -5.01 105.19 105.85 3iu3 n GLY 40 Ca 0.23 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.98 -0.64 1.61 3.00 -0.19 -5.10 117.38 115.07 3iu3 n GLN 41 Ca 0.00 -0.80 0.00 0.00 -0.01 0.00 0.00 57.00 56.19 3iu3 n GLN 41 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 30.24 29.64 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 0.79 1.65 3.80 1.08 0.00 -1.26 -4.67 105.19 106.58 3iu3 n GLY 42 Ca 0.07 -2.06 -0.38 0.00 0.00 0.00 0.00 46.02 43.64 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 4.48 -0.06 0.99 1.43 -1.26 -4.20 118.68 120.06 3iu3 s LEU 43 Ca 0.00 1.46 -0.01 0.00 -1.03 0.00 0.00 54.13 54.54 3iu3 s LEU 43 Cb 0.00 -3.30 0.03 0.00 0.03 0.00 0.00 46.19 42.95 3iu3 s LEU 43 CO 0.00 0.16 0.00 -0.70 0.23 0.00 0.00 176.35 176.04 3iu3 s GLU 44 N -1.46 0.54 -0.07 1.70 2.12 0.22 -4.97 118.70 116.78 3iu3 s GLU 44 Ca 0.37 0.12 -0.30 0.00 0.36 0.00 0.00 54.97 55.52 3iu3 s GLU 44 Cb -0.20 -0.89 -0.02 0.00 0.26 0.00 0.00 34.13 33.28 3iu3 s GLU 44 CO 0.22 -0.28 1.00 -0.46 -0.54 0.00 0.00 175.26 175.20 3iu3 s TRP 45 N 1.88 3.57 -0.23 5.30 -0.00 -1.26 0.30 118.94 128.50 3iu3 s TRP 45 Ca 0.03 1.63 -0.18 0.00 -0.00 0.00 0.00 56.10 57.58 3iu3 s TRP 45 Cb -0.12 -3.16 -0.16 0.00 -0.00 0.00 0.00 33.47 30.03 3iu3 s TRP 45 CO -0.05 -0.15 -0.02 -0.89 -0.00 0.00 0.00 176.95 175.85 3iu3 n ILE 46 N 4.30 1.53 -2.21 5.86 5.41 -0.14 -4.60 119.36 129.51 3iu3 n ILE 46 Ca 0.08 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.69 3iu3 n ILE 46 Cb 0.50 -2.01 0.00 0.00 -0.71 0.00 0.00 39.64 37.42 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 1.38 -1.69 3.17 7.39 0.00 -1.23 -1.27 105.19 112.93 3iu3 n GLY 47 Ca -0.39 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.39 0.96 -0.10 4.61 0.00 -0.25 -1.42 121.76 124.16 3iu3 s ALA 48 Ca 0.00 -1.54 -0.08 0.00 0.00 0.00 0.00 51.96 50.34 3iu3 s ALA 48 Cb 0.00 1.02 0.03 0.00 0.00 0.00 0.00 23.12 24.17 3iu3 s ALA 48 CO 0.00 -0.51 0.26 -1.50 0.00 0.00 0.00 175.76 174.01 3iu3 s ILE 49 N -4.07 -0.01 -0.49 0.00 2.07 -0.76 -2.43 121.20 115.51 3iu3 s ILE 49 Ca 0.28 0.05 -0.12 0.00 -1.41 0.00 0.00 60.65 59.45 3iu3 s ILE 49 Cb 0.07 -0.38 0.11 0.00 0.13 0.00 0.00 42.46 42.39 3iu3 s ILE 49 CO 0.05 0.02 0.39 -0.47 -1.91 0.00 0.00 174.94 173.02 3iu3 s TYR 50 N 0.53 3.34 0.54 3.50 5.04 0.11 -1.90 117.35 128.50 3iu3 s TYR 50 Ca -0.03 -1.53 0.27 0.00 -2.44 0.00 0.00 57.07 53.34 3iu3 s TYR 50 Cb -0.05 -3.49 1.43 0.00 0.35 0.00 0.00 41.96 40.20 3iu3 s TYR 50 CO -0.03 -0.96 1.97 -1.35 -1.34 0.00 0.00 175.55 173.84 3iu3 h PRO 51 N 8.63 0.00 0.52 4.97 0.11 -1.78 0.34 132.00 144.79 3iu3 h PRO 51 Ca -0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 3iu3 h PRO 51 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3iu3 h PRO 51 CO 0.91 0.00 -0.38 0.78 -0.21 0.00 0.00 178.00 179.10 3iu3 h GLY 52 N 0.00 -1.12 -1.92 -0.55 0.00 -1.78 -3.28 103.07 94.41 3iu3 h GLY 52 Ca 0.28 0.48 0.00 0.00 0.00 0.00 0.00 47.33 48.09 3iu3 h GLY 52 CO -0.00 -0.36 0.00 1.16 0.00 0.00 0.00 176.54 177.33 3iu3 n ASN 53 N -4.76 3.02 -2.33 0.19 6.94 -1.14 -4.97 115.26 112.21 3iu3 n ASN 53 Ca -0.10 -1.95 -0.21 0.00 -0.02 0.00 0.00 54.58 52.29 3iu3 n ASN 53 Cb 0.37 -0.06 -0.02 0.00 -2.36 0.00 0.00 39.78 37.72 3iu3 n ASN 53 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 3iu3 n SER 54 N 1.32 -5.91 -4.75 0.53 2.88 0.12 -5.00 113.62 102.81 3iu3 n SER 54 Ca 0.15 0.02 -0.36 0.00 -1.33 0.00 0.00 58.87 57.34 3iu3 n SER 54 Cb 0.57 -4.93 0.03 0.00 -0.75 0.00 0.00 64.21 59.13 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 -2.11 5.25 -0.18 -3.46 2.15 -1.12 -4.79 116.67 112.42 3iu3 s ASP 55 Ca 0.00 2.44 -0.08 0.00 0.43 0.00 0.00 52.55 55.34 3iu3 s ASP 55 Cb 0.00 -2.60 0.07 0.00 -0.30 0.00 0.00 42.92 40.09 3iu3 s ASP 55 CO 0.00 -1.55 0.41 0.28 -0.17 0.00 0.00 175.17 174.14 3iu3 s THR 56 N -1.54 -0.28 -0.04 1.71 -1.32 -1.26 -0.71 115.64 112.20 3iu3 s THR 56 Ca 0.76 0.13 0.05 0.00 -1.21 0.00 0.00 61.69 61.41 3iu3 s THR 56 Cb -0.32 -0.63 -0.01 0.00 -1.51 0.00 0.00 72.50 70.03 3iu3 s THR 56 CO 0.35 0.05 -0.19 -0.55 -2.21 0.00 0.00 174.62 172.08 3iu3 s SER 57 N 1.90 2.30 0.16 8.08 0.15 -1.02 -5.01 113.70 120.27 3iu3 s SER 57 Ca -0.06 -0.37 0.10 0.00 0.70 0.00 0.00 55.95 56.31 3iu3 s SER 57 Cb -0.10 -0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 63.61 3iu3 s SER 57 CO -0.13 0.18 -0.18 -0.31 1.20 0.00 0.00 173.24 174.00 3iu3 s TYR 58 N -0.09 2.47 0.33 3.44 2.02 -1.26 -1.10 117.35 123.17 3iu3 s TYR 58 Ca -0.02 -0.29 -0.29 0.00 -0.37 0.00 0.00 57.07 56.11 3iu3 s TYR 58 Cb -0.11 -1.26 -0.10 0.00 -0.40 0.00 0.00 41.96 40.09 3iu3 s TYR 58 CO 0.02 0.45 1.35 1.21 -1.57 0.00 0.00 175.55 177.01 3iu3 s ASN 59 N -2.50 6.69 0.46 2.29 3.84 -0.39 -4.93 114.94 120.40 3iu3 s ASN 59 Ca 0.20 2.74 0.17 0.00 0.21 0.00 0.00 52.86 56.18 3iu3 s ASN 59 Cb -0.09 -2.65 1.12 0.00 -0.55 0.00 0.00 41.25 39.08 3iu3 s ASN 59 CO 0.11 -0.61 1.98 1.56 -2.79 0.00 0.00 177.10 177.36 3iu3 h GLN 60 N 3.51 0.30 0.00 0.43 4.20 -1.93 -1.80 115.11 119.81 3iu3 h GLN 60 Ca -0.49 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.15 3iu3 h GLN 60 Cb 1.23 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 3iu3 h GLN 60 CO 0.67 0.20 -0.27 -0.22 -0.67 0.00 0.00 178.83 178.54 3iu3 h LYS 61 N 0.31 0.00 -0.28 1.46 3.64 -1.95 -3.22 116.57 116.53 3iu3 h LYS 61 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3iu3 h LYS 61 Cb 0.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3iu3 h LYS 61 CO -0.06 0.27 0.00 1.19 -2.27 0.00 0.00 179.45 178.57 3iu3 n PHE 62 N -3.95 0.53 0.10 1.91 3.01 -0.69 -4.63 117.46 113.74 3iu3 n PHE 62 Ca -0.02 -0.61 0.03 0.00 1.01 0.00 0.00 57.45 57.86 3iu3 n PHE 62 Cb 0.34 -0.11 0.41 0.00 -0.01 0.00 0.00 39.48 40.12 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 1.71 0.28 0.00 -1.08 5.08 -1.54 -1.70 114.58 117.34 3iu3 h GLU 63 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3iu3 h GLU 63 Cb 0.90 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3iu3 h GLU 63 CO 0.06 0.35 -1.17 0.41 -1.00 0.00 0.00 179.01 177.66 3iu3 n GLY 64 N -1.04 -1.34 0.12 -3.84 0.00 -1.26 -4.56 105.19 93.26 3iu3 n GLY 64 Ca -0.00 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.46 0.69 -4.50 1.61 4.81 -1.03 -4.79 118.16 112.49 3iu3 n LYS 65 Ca -0.00 0.18 -0.28 0.00 -0.87 0.00 0.00 58.31 57.34 3iu3 n LYS 65 Cb 0.53 -1.63 -0.13 0.00 0.02 0.00 0.00 35.03 33.81 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 -2.54 2.23 -0.10 3.14 0.00 -0.67 0.13 121.76 123.95 3iu3 s ALA 66 Ca -0.20 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.40 3iu3 s ALA 66 Cb 0.07 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.84 3iu3 s ALA 66 CO 0.74 0.50 -0.08 0.21 0.00 0.00 0.00 175.76 177.13 3iu3 s LYS 67 N -1.80 1.51 -0.27 0.00 2.20 -0.28 -4.80 119.74 116.31 3iu3 s LYS 67 Ca 0.12 -0.28 -0.09 0.00 -0.36 0.00 0.00 55.97 55.37 3iu3 s LYS 67 Cb -0.10 -1.48 -0.03 0.00 -1.51 0.00 0.00 37.83 34.71 3iu3 s LYS 67 CO 0.05 -0.18 0.11 -0.51 -0.36 0.00 0.00 175.35 174.46 3iu3 s LEU 68 N 1.40 3.68 0.24 5.43 1.02 -1.26 -1.47 118.68 127.71 3iu3 s LEU 68 Ca -0.01 -0.22 0.05 0.00 0.02 0.00 0.00 54.13 53.97 3iu3 s LEU 68 Cb -0.13 -1.98 -0.05 0.00 0.02 0.00 0.00 46.19 44.04 3iu3 s LEU 68 CO -0.05 -0.07 -0.04 0.42 0.02 0.00 0.00 176.35 176.64 3iu3 s THR 69 N 1.65 1.30 0.04 5.49 -4.23 -0.74 -5.00 115.64 114.15 3iu3 s THR 69 Ca 0.06 -2.08 -0.02 0.00 -1.18 0.00 0.00 61.69 58.48 3iu3 s THR 69 Cb -0.16 -2.31 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 3iu3 s THR 69 CO 0.06 -0.38 -0.00 0.00 -0.54 0.00 0.00 174.62 173.76 3iu3 s ALA 70 N -3.24 0.30 -0.31 3.99 0.00 -1.26 -0.69 121.76 120.54 3iu3 s ALA 70 Ca 0.27 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 3iu3 s ALA 70 Cb 0.04 0.25 0.10 0.00 0.00 0.00 0.00 23.12 23.51 3iu3 s ALA 70 CO 0.09 -0.32 0.10 0.08 0.00 0.00 0.00 175.76 175.71 3iu3 s VAL 71 N -3.15 0.84 0.34 0.00 1.01 -0.75 -5.00 120.40 113.69 3iu3 s VAL 71 Ca -0.00 -1.39 0.33 0.00 0.00 0.00 0.00 61.98 60.92 3iu3 s VAL 71 Cb 0.02 -1.64 0.36 0.00 0.00 0.00 0.00 36.38 35.12 3iu3 s VAL 71 CO -0.07 -0.68 2.09 0.71 0.00 0.00 0.00 175.10 177.14 3iu3 h THR 72 N 6.46 0.24 0.01 3.92 1.35 -1.90 -1.26 112.91 121.74 3iu3 h THR 72 Ca -0.14 -0.46 -0.22 0.00 -0.55 0.00 0.00 66.41 65.04 3iu3 h THR 72 Cb 1.01 1.36 -0.00 0.00 -1.73 0.00 0.00 68.15 68.79 3iu3 h THR 72 CO 0.47 0.06 -0.95 0.77 -0.25 0.00 0.00 175.52 175.62 3iu3 h SER 73 N 0.00 0.45 0.80 5.36 4.64 -1.96 -3.23 113.55 119.61 3iu3 h SER 73 Ca -0.00 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3iu3 h SER 73 Cb 0.36 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3iu3 h SER 73 CO 0.01 1.18 -0.45 0.00 -0.87 0.00 0.00 176.83 176.69 3iu3 n ALA 74 N -2.52 3.02 -3.60 5.18 0.00 -0.80 -4.96 120.51 116.83 3iu3 n ALA 74 Ca -0.06 -0.25 -0.25 0.00 0.00 0.00 0.00 53.44 52.88 3iu3 n ALA 74 Cb 0.84 -1.21 0.06 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.83 -5.93 -4.14 0.00 7.64 -0.54 -4.77 113.62 104.04 3iu3 n SER 75 Ca 0.05 -0.57 -0.28 0.00 1.01 0.00 0.00 58.87 59.08 3iu3 n SER 75 Cb 0.39 -4.69 -0.17 0.00 -1.01 0.00 0.00 64.21 58.73 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 1.61 -0.16 0.44 2.01 -1.13 0.04 115.64 115.16 3iu3 s THR 76 Ca 0.57 -0.78 -0.09 0.00 0.31 0.00 0.00 61.69 61.71 3iu3 s THR 76 Cb -0.26 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 3iu3 s THR 76 CO 0.71 0.46 0.13 0.00 -0.69 0.00 0.00 174.62 175.23 3iu3 s ALA 77 N 0.29 3.77 0.18 7.40 0.00 -0.55 -1.80 121.76 131.05 3iu3 s ALA 77 Ca -0.12 -0.67 0.10 0.00 0.00 0.00 0.00 51.96 51.28 3iu3 s ALA 77 Cb -0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 3iu3 s ALA 77 CO 0.05 0.37 -0.18 0.71 0.00 0.00 0.00 175.76 176.71 3iu3 s TYR 78 N -0.28 2.45 -0.06 0.00 1.51 0.13 -0.02 117.35 121.08 3iu3 s TYR 78 Ca 0.11 -0.30 -0.03 0.00 -1.01 0.00 0.00 57.07 55.85 3iu3 s TYR 78 Cb -0.11 -1.22 0.04 0.00 -0.11 0.00 0.00 41.96 40.55 3iu3 s TYR 78 CO 0.01 0.48 0.14 1.41 -1.11 0.00 0.00 175.55 176.48 3iu3 s MET 79 N -2.63 0.08 -0.13 -0.62 1.75 -0.68 -1.79 119.30 115.29 3iu3 s MET 79 Ca 0.22 0.37 -0.00 0.00 -1.25 0.00 0.00 55.69 55.03 3iu3 s MET 79 Cb -0.09 -0.19 -0.02 0.00 2.84 0.00 0.00 34.83 37.38 3iu3 s MET 79 CO 0.12 -0.17 -0.11 -1.83 -0.65 0.00 0.00 175.02 172.37 3iu3 s GLU 80 N 1.22 3.35 -0.13 4.11 -1.05 -0.54 -1.53 118.70 124.13 3iu3 s GLU 80 Ca -0.09 -0.65 -0.11 0.00 -0.15 0.00 0.00 54.97 53.97 3iu3 s GLU 80 Cb -0.12 -2.66 -0.05 0.00 -0.44 0.00 0.00 34.13 30.87 3iu3 s GLU 80 CO -0.06 0.27 0.23 -0.51 0.95 0.00 0.00 175.26 176.14 3iu3 s LEU 81 N 0.23 4.33 0.23 1.83 2.01 -0.47 -1.12 118.68 125.71 3iu3 s LEU 81 Ca -0.07 0.52 0.06 0.00 0.01 0.00 0.00 54.13 54.65 3iu3 s LEU 81 Cb -0.15 -2.25 -0.04 0.00 0.01 0.00 0.00 46.19 43.76 3iu3 s LEU 81 CO 0.05 0.26 0.19 -0.44 1.01 0.00 0.00 176.35 177.42 3iu3 s SER 82 N -0.32 5.57 -1.13 2.29 0.01 0.12 -2.38 113.70 117.86 3iu3 s SER 82 Ca 0.16 -0.20 -0.24 0.00 1.31 0.00 0.00 55.95 56.97 3iu3 s SER 82 Cb -0.13 -1.44 0.01 0.00 0.21 0.00 0.00 66.02 64.67 3iu3 s SER 82 CO 0.04 -0.02 0.74 -1.20 0.41 0.00 0.00 173.24 173.21 3iu3 n SER 83 N -1.01 -4.93 -4.71 2.44 7.64 -1.04 -4.78 113.62 107.23 3iu3 n SER 83 Ca -0.08 -1.10 -0.42 0.00 1.01 0.00 0.00 58.87 58.28 3iu3 n SER 83 Cb 0.57 -2.65 -0.03 0.00 -1.01 0.00 0.00 64.21 61.09 3iu3 n SER 83 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3iu3 s LEU 84 N -6.66 4.37 0.39 -3.43 1.43 -0.38 -4.61 118.68 109.79 3iu3 s LEU 84 Ca 0.43 2.60 0.05 0.00 -1.03 0.00 0.00 54.13 56.19 3iu3 s LEU 84 Cb -0.19 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.38 3iu3 s LEU 84 CO 0.90 -0.87 0.03 0.28 0.23 0.00 0.00 176.35 176.92 3iu3 s THR 85 N 1.79 1.60 0.35 5.49 -1.32 -1.26 0.88 115.64 123.16 3iu3 s THR 85 Ca 0.73 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 59.31 3iu3 s THR 85 Cb -0.43 -2.82 0.33 0.00 -1.51 0.00 0.00 72.50 68.07 3iu3 s THR 85 CO 0.32 0.00 1.83 -0.74 -2.21 0.00 0.00 174.62 173.82 3iu3 h HIS 86 N 1.83 0.84 0.00 9.09 2.76 -1.95 -1.28 115.15 126.44 3iu3 h HIS 86 Ca -0.43 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 3iu3 h HIS 86 Cb 1.25 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.95 3iu3 h HIS 86 CO 0.80 0.24 0.00 0.39 -1.30 0.00 0.00 177.93 178.07 3iu3 n GLU 87 N -4.62 0.88 0.02 5.26 1.02 -1.26 -2.16 120.64 119.78 3iu3 n GLU 87 Ca 0.20 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.45 3iu3 n GLU 87 Cb 0.57 -1.33 -0.04 0.00 -0.02 0.00 0.00 31.44 30.63 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 -0.83 0.59 -4.64 1.62 8.00 -0.48 -4.89 116.55 115.92 3iu3 n ASP 88 Ca 0.14 -0.34 -0.42 0.00 0.71 0.00 0.00 54.79 54.87 3iu3 n ASP 88 Cb 0.06 1.03 -0.03 0.00 -0.02 0.00 0.00 41.12 42.16 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 -3.82 6.18 0.14 -2.24 0.01 -0.92 -4.89 113.70 108.15 3iu3 s SER 89 Ca 0.03 2.28 -0.21 0.00 1.31 0.00 0.00 55.95 59.36 3iu3 s SER 89 Cb 0.15 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.92 3iu3 s SER 89 CO 0.83 -1.33 0.98 0.00 0.41 0.00 0.00 173.24 174.13 3iu3 n ALA 90 N 8.80 -2.60 -2.85 1.44 0.00 -1.03 -4.53 120.51 119.74 3iu3 n ALA 90 Ca 0.22 -0.90 -0.35 0.00 0.00 0.00 0.00 53.44 52.41 3iu3 n ALA 90 Cb 0.43 0.46 -0.10 0.00 0.00 0.00 0.00 19.45 20.23 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 -2.09 4.66 -0.18 0.00 1.01 -0.40 -1.30 120.40 122.11 3iu3 s VAL 91 Ca 0.22 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 3iu3 s VAL 91 Cb -0.02 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 3iu3 s VAL 91 CO 0.04 0.44 -0.05 -0.31 0.00 0.00 0.00 175.10 175.22 3iu3 s TYR 92 N 0.58 2.96 -0.07 5.22 2.02 0.98 -1.31 117.35 127.73 3iu3 s TYR 92 Ca 0.03 -0.64 -0.01 0.00 -0.37 0.00 0.00 57.07 56.09 3iu3 s TYR 92 Cb -0.13 -2.02 -0.03 0.00 -0.40 0.00 0.00 41.96 39.38 3iu3 s TYR 92 CO 0.01 -0.30 -0.01 0.71 -1.57 0.00 0.00 175.55 174.39 3iu3 s TYR 93 N 0.92 3.10 -0.09 2.71 2.02 -0.15 -1.02 117.35 124.84 3iu3 s TYR 93 Ca -0.01 0.14 -0.03 0.00 -0.37 0.00 0.00 57.07 56.80 3iu3 s TYR 93 Cb -0.15 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.63 3iu3 s TYR 93 CO 0.01 0.44 0.05 0.00 -1.57 0.00 0.00 175.55 174.48 3iu3 s SER 95 N -0.98 -0.01 0.39 0.00 0.15 0.66 -1.09 113.70 112.83 3iu3 s SER 95 Ca 0.14 0.08 -0.24 0.00 0.70 0.00 0.00 55.95 56.63 3iu3 s SER 95 Cb -0.12 0.03 -0.09 0.00 -1.71 0.00 0.00 66.02 64.14 3iu3 s SER 95 CO 0.03 -0.06 1.05 -0.60 1.20 0.00 0.00 173.24 174.87 3iu3 s ARG 96 N 0.47 4.20 -0.26 5.44 3.52 -0.86 0.04 118.95 131.51 3iu3 s ARG 96 Ca -0.04 1.54 -0.07 0.00 -0.13 0.00 0.00 55.73 57.03 3iu3 s ARG 96 Cb -0.05 -2.60 -0.02 0.00 -1.56 0.00 0.00 34.95 30.72 3iu3 s ARG 96 CO -0.02 -0.11 0.07 0.34 -0.81 0.00 0.00 175.30 174.77 3iu3 s ASP 97 N -1.51 5.09 -0.19 -2.12 -1.08 -0.12 -3.20 116.67 113.53 3iu3 s ASP 97 Ca 0.57 -0.35 0.15 0.00 -0.52 0.00 0.00 52.55 52.39 3iu3 s ASP 97 Cb -0.23 -1.91 0.77 0.00 -1.46 0.00 0.00 42.92 40.10 3iu3 s ASP 97 CO 0.29 -0.08 1.68 0.00 0.52 0.00 0.00 175.17 177.58 3iu3 n TYR 98 N 4.91 1.86 0.00 -5.34 9.36 -0.14 -4.39 117.16 123.41 3iu3 n TYR 98 Ca -0.16 -0.67 0.00 0.00 3.32 0.00 0.00 57.90 60.40 3iu3 n TYR 98 Cb 0.50 -0.43 0.00 0.00 -0.63 0.00 0.00 39.34 38.79 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 0.76 2.35 0.40 2.98 0.00 -1.26 -4.27 105.19 106.15 3iu3 n GLY 99 Ca 0.26 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.33 -3.88 1.61 0.05 -2.03 -3.46 116.97 107.93 3iu3 h TYR 100 Ca 0.00 0.08 -0.16 0.00 0.05 0.00 0.00 58.73 58.70 3iu3 h TYR 100 Cb 0.00 0.65 -0.09 0.00 1.01 0.00 0.00 36.73 38.30 3iu3 h TYR 100 CO 0.00 -0.44 -0.17 1.52 -1.05 0.00 0.00 178.16 178.02 3iu3 s TYR 101 N -5.82 0.70 -0.54 4.88 1.13 -1.26 -5.11 117.35 111.33 3iu3 s TYR 101 Ca -0.14 -1.01 -0.26 0.00 -1.41 0.00 0.00 57.07 54.24 3iu3 s TYR 101 Cb 0.12 0.05 0.03 0.00 -1.10 0.00 0.00 41.96 41.07 3iu3 s TYR 101 CO 0.65 -1.05 1.05 -0.06 -2.51 0.00 0.00 175.55 173.63 3iu3 s PHE 102 N -3.55 2.75 -0.09 -3.49 0.08 -1.26 -0.97 117.98 111.46 3iu3 s PHE 102 Ca 0.27 0.29 0.15 0.00 0.12 0.00 0.00 56.93 57.76 3iu3 s PHE 102 Cb -0.00 -4.25 -0.11 0.00 -0.57 0.00 0.00 43.02 38.09 3iu3 s PHE 102 CO 0.14 -1.38 1.00 0.38 -0.10 0.00 0.00 175.22 175.26 3iu3 h ASP 103 N 9.34 0.00 -3.80 1.36 2.03 -1.92 -3.46 116.42 119.96 3iu3 h ASP 103 Ca -0.25 0.00 -0.37 0.00 -0.73 0.00 0.00 57.03 55.68 3iu3 h ASP 103 Cb 1.07 0.00 -0.30 0.00 -0.83 0.00 0.00 39.33 39.26 3iu3 h ASP 103 CO 1.12 0.67 -0.77 -0.36 -1.03 0.00 0.00 179.24 178.87 3iu3 s PHE 104 N -2.86 0.66 0.20 4.15 0.40 -1.26 -5.05 117.98 114.22 3iu3 s PHE 104 Ca -0.01 -0.14 0.11 0.00 -0.60 0.00 0.00 56.93 56.28 3iu3 s PHE 104 Cb 0.08 -0.48 -0.04 0.00 0.51 0.00 0.00 43.02 43.09 3iu3 s PHE 104 CO 0.80 -0.07 -0.22 -1.58 0.70 0.00 0.00 175.22 174.85 3iu3 s TRP 105 N 0.18 2.19 0.92 0.36 0.52 -1.26 -2.02 118.94 119.82 3iu3 s TRP 105 Ca -0.02 -0.38 -0.13 0.00 0.02 0.00 0.00 56.10 55.59 3iu3 s TRP 105 Cb -0.07 -1.07 0.15 0.00 -1.15 0.00 0.00 33.47 31.33 3iu3 s TRP 105 CO -0.00 0.49 1.16 0.20 0.02 0.00 0.00 176.95 178.81 3iu3 s GLY 106 N -2.77 1.60 0.32 0.98 0.00 -0.25 -4.72 107.32 102.49 3iu3 s GLY 106 Ca 0.21 -0.63 0.25 0.00 0.00 0.00 0.00 44.72 44.55 3iu3 s GLY 106 CO 0.10 -0.04 1.72 0.06 0.00 0.00 0.00 173.10 174.94 3iu3 h GLN 107 N -1.53 0.00 0.00 2.90 -0.00 -1.91 -3.46 115.11 111.11 3iu3 h GLN 107 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.16 3iu3 h GLN 107 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.80 3iu3 h GLN 107 CO 0.58 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.82 3iu3 n GLY 108 N 1.08 2.61 3.15 0.06 0.00 -1.26 -5.06 105.19 105.77 3iu3 n GLY 108 Ca 0.04 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.96 2.00 -0.26 2.61 2.01 -0.19 -4.84 115.64 115.02 3iu3 s THR 109 Ca 0.00 -0.93 -0.15 0.00 0.31 0.00 0.00 61.69 60.92 3iu3 s THR 109 Cb 0.00 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 3iu3 s THR 109 CO 0.00 0.54 0.37 -0.89 -0.69 0.00 0.00 174.62 173.95 3iu3 s THR 110 N 0.95 5.18 -0.12 -0.82 2.01 -1.26 -0.01 115.64 121.57 3iu3 s THR 110 Ca -0.04 0.59 -0.03 0.00 0.31 0.00 0.00 61.69 62.51 3iu3 s THR 110 Cb -0.15 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 3iu3 s THR 110 CO -0.05 0.18 0.01 -0.22 -0.69 0.00 0.00 174.62 173.85 3iu3 s LEU 111 N 1.92 3.59 -0.14 4.42 0.20 -0.42 -0.93 118.68 127.32 3iu3 s LEU 111 Ca 0.16 0.09 -0.00 0.00 0.69 0.00 0.00 54.13 55.07 3iu3 s LEU 111 Cb -0.16 -1.85 0.03 0.00 -0.43 0.00 0.00 46.19 43.79 3iu3 s LEU 111 CO 0.09 0.30 -0.10 -0.89 -0.29 0.00 0.00 176.35 175.47 3iu3 s THR 112 N -0.42 1.28 -0.28 3.68 2.01 -0.78 -2.48 115.64 118.65 3iu3 s THR 112 Ca 0.08 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.43 3iu3 s THR 112 Cb -0.12 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 3iu3 s THR 112 CO 0.02 0.33 0.17 -0.69 -0.69 0.00 0.00 174.62 173.76 3iu3 s VAL 113 N 1.59 5.10 0.15 3.82 1.01 -1.26 -1.44 120.40 129.37 3iu3 s VAL 113 Ca 0.03 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.84 3iu3 s VAL 113 Cb -0.14 -3.46 0.06 0.00 0.00 0.00 0.00 36.38 32.84 3iu3 s VAL 113 CO -0.09 0.22 0.53 -0.55 0.00 0.00 0.00 175.10 175.22 3iu3 s SER 114 N 1.72 -0.45 -0.15 3.32 0.15 0.06 -4.57 113.70 113.78 3iu3 s SER 114 Ca 0.07 -0.12 0.16 0.00 0.70 0.00 0.00 55.95 56.75 3iu3 s SER 114 Cb -0.16 0.56 0.64 0.00 -1.71 0.00 0.00 66.02 65.35 3iu3 s SER 114 CO 0.09 -0.94 1.55 -1.54 1.20 0.00 0.00 173.24 173.61 3iu3 n SER 115 N -0.33 4.52 -4.92 5.45 3.41 -1.26 -3.79 113.62 116.70 3iu3 n SER 115 Ca -0.16 -2.70 -0.29 0.00 -0.26 0.00 0.00 58.87 55.46 3iu3 n SER 115 Cb 0.64 -0.55 -0.04 0.00 -0.26 0.00 0.00 64.21 64.01 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 -2.29 3.86 0.30 7.33 0.00 -1.26 -5.09 121.76 124.60 3iu3 s ALA 116 Ca 0.46 -0.79 -0.07 0.00 0.00 0.00 0.00 51.96 51.56 3iu3 s ALA 116 Cb 0.33 -1.98 -0.06 0.00 0.00 0.00 0.00 23.12 21.41 3iu3 s ALA 116 CO 0.16 0.54 0.59 -1.12 0.00 0.00 0.00 175.76 175.94 3iu3 s SER 117 N -2.94 6.50 -0.18 0.00 0.01 -1.26 -5.00 113.70 110.84 3iu3 s SER 117 Ca 0.38 0.84 -0.29 0.00 1.31 0.00 0.00 55.95 58.19 3iu3 s SER 117 Cb -0.11 -2.20 -0.07 0.00 0.21 0.00 0.00 66.02 63.85 3iu3 s SER 117 CO 0.28 -0.20 2.16 0.41 0.41 0.00 0.00 173.24 176.30 3iu3 n THR 118 N -0.81 0.42 -4.68 1.44 -1.04 -1.26 -4.62 114.28 103.72 3iu3 n THR 118 Ca -0.00 -0.37 -0.24 0.00 -2.04 0.00 0.00 64.05 61.39 3iu3 n THR 118 Cb 0.54 -2.41 -0.16 0.00 -1.82 0.00 0.00 70.33 66.48 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 5.91 1.48 0.45 -2.82 2.20 0.42 -4.96 119.74 122.42 3iu3 s LYS 119 Ca 0.99 -0.50 -0.21 0.00 -0.36 0.00 0.00 55.97 55.89 3iu3 s LYS 119 Cb -0.42 -1.31 -0.10 0.00 -1.51 0.00 0.00 37.83 34.48 3iu3 s LYS 119 CO 0.39 0.20 0.97 0.20 -0.36 0.00 0.00 175.35 176.75 3iu3 s GLY 120 N 0.08 2.40 0.36 5.54 0.00 -1.26 -1.54 107.32 112.90 3iu3 s GLY 120 Ca -0.03 0.44 -0.24 0.00 0.00 0.00 0.00 44.72 44.88 3iu3 s GLY 120 CO 0.01 0.73 0.95 2.56 0.00 0.00 0.00 173.10 177.35 3iu3 s PRO 121 N -3.23 4.46 0.07 2.90 0.04 -1.26 -4.68 135.00 133.31 3iu3 s PRO 121 Ca 0.63 1.27 -0.24 0.00 0.04 0.00 0.00 61.00 62.70 3iu3 s PRO 121 Cb -0.11 -2.60 -0.06 0.00 0.04 0.00 0.00 34.50 31.77 3iu3 s PRO 121 CO 0.15 0.17 0.74 -1.12 0.04 0.00 0.00 177.00 176.98 3iu3 s SER 122 N -1.79 7.22 -0.28 6.66 0.01 -0.62 -4.91 113.70 120.00 3iu3 s SER 122 Ca 0.54 1.46 0.01 0.00 1.31 0.00 0.00 55.95 59.27 3iu3 s SER 122 Cb -0.16 -2.46 0.06 0.00 0.21 0.00 0.00 66.02 63.67 3iu3 s SER 122 CO 0.21 0.09 -0.06 -0.69 0.41 0.00 0.00 173.24 173.19 3iu3 s VAL 123 N -0.42 2.51 0.01 3.43 1.01 -1.26 -1.32 120.40 124.37 3iu3 s VAL 123 Ca 0.36 -1.53 0.01 0.00 0.00 0.00 0.00 61.98 60.82 3iu3 s VAL 123 Cb -0.21 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 3iu3 s VAL 123 CO 0.23 -0.06 0.07 -0.36 0.00 0.00 0.00 175.10 174.97 3iu3 s PHE 124 N 1.16 3.23 0.48 5.22 0.08 -0.24 -4.95 117.98 122.96 3iu3 s PHE 124 Ca -0.07 0.16 -0.17 0.00 0.12 0.00 0.00 56.93 56.97 3iu3 s PHE 124 Cb -0.20 -1.71 -0.08 0.00 -0.57 0.00 0.00 43.02 40.46 3iu3 s PHE 124 CO -0.03 0.53 0.94 -1.25 -0.10 0.00 0.00 175.22 175.31 3iu3 s PRO 125 N -1.81 3.99 -0.60 0.24 0.04 -1.26 0.01 135.00 135.60 3iu3 s PRO 125 Ca 0.23 0.93 -0.05 0.00 0.04 0.00 0.00 61.00 62.15 3iu3 s PRO 125 Cb -0.12 -2.19 0.16 0.00 0.04 0.00 0.00 34.50 32.39 3iu3 s PRO 125 CO 0.15 -0.18 0.43 -0.51 0.04 0.00 0.00 177.00 176.93 3iu3 s LEU 126 N -3.81 5.46 0.32 -3.56 1.43 0.11 -4.76 118.68 113.87 3iu3 s LEU 126 Ca 0.59 -2.62 -0.28 0.00 -1.03 0.00 0.00 54.13 50.78 3iu3 s LEU 126 Cb -0.10 -1.91 -0.10 0.00 0.03 0.00 0.00 46.19 44.12 3iu3 s LEU 126 CO 0.27 -0.45 1.17 0.00 0.23 0.00 0.00 176.35 177.57 3iu3 s ALA 127 N 0.28 3.37 0.21 4.21 0.00 -1.26 -2.05 121.76 126.52 3iu3 s ALA 127 Ca 0.15 1.01 -0.30 0.00 0.00 0.00 0.00 51.96 52.82 3iu3 s ALA 127 Cb -0.20 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.46 3iu3 s ALA 127 CO -0.04 -0.37 1.20 -2.14 0.00 0.00 0.00 175.76 174.41 3iu3 s PRO 128 N -1.76 4.49 0.06 0.00 0.02 -1.26 -4.89 135.00 131.67 3iu3 s PRO 128 Ca 0.49 1.90 -0.00 0.00 0.02 0.00 0.00 61.00 63.41 3iu3 s PRO 128 Cb -0.34 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 30.97 3iu3 s PRO 128 CO 0.43 -0.07 0.08 -1.13 -0.33 0.00 0.00 177.00 175.99 3iu3 n SER 129 N 2.23 -0.22 0.16 2.53 3.41 -1.26 -4.49 113.62 115.97 3iu3 n SER 129 Ca 0.03 -1.33 0.01 0.00 -0.26 0.00 0.00 58.87 57.33 3iu3 n SER 129 Cb 0.44 0.42 0.25 0.00 -0.26 0.00 0.00 64.21 65.06 3iu3 n SER 129 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3iu3 h SER 130 N 0.34 0.00 0.92 4.04 0.02 -1.96 -2.69 113.55 114.22 3iu3 h SER 130 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3iu3 h SER 130 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3iu3 h SER 130 CO 0.06 0.52 0.00 0.11 -1.14 0.00 0.00 176.83 176.38 3iu3 h LYS 131 N 0.00 0.00 -1.38 3.45 6.56 -1.97 -3.03 116.57 120.20 3iu3 h LYS 131 Ca -0.01 0.00 -0.62 0.00 -1.06 0.00 0.00 60.65 58.97 3iu3 h LYS 131 Cb 0.97 0.00 -0.39 0.00 -0.57 0.00 0.00 32.23 32.24 3iu3 h LYS 131 CO 0.07 0.00 -0.35 -1.13 -2.06 0.00 0.00 179.45 175.97 3iu3 n SER 132 N -2.65 5.42 -3.98 0.86 3.41 -1.02 -5.00 113.62 110.66 3iu3 n SER 132 Ca 0.02 -3.75 -0.19 0.00 -0.26 0.00 0.00 58.87 54.69 3iu3 n SER 132 Cb 0.28 -0.56 -0.15 0.00 -0.26 0.00 0.00 64.21 63.51 3iu3 n SER 132 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3iu3 s THR 133 N -5.20 0.65 -0.34 6.66 2.01 -1.15 -1.08 115.64 117.20 3iu3 s THR 133 Ca 0.51 -0.31 -0.00 0.00 0.31 0.00 0.00 61.69 62.19 3iu3 s THR 133 Cb 0.42 -0.57 0.11 0.00 0.01 0.00 0.00 72.50 72.47 3iu3 s THR 133 CO -0.16 0.20 0.15 -0.55 -0.69 0.00 0.00 174.62 173.57 3iu3 s SER 134 N 0.09 3.78 1.66 3.53 0.15 0.86 -5.01 113.70 118.76 3iu3 s SER 134 Ca -0.01 -1.91 0.00 0.00 0.70 0.00 0.00 55.95 54.73 3iu3 s SER 134 Cb -0.06 -0.81 0.00 0.00 -1.71 0.00 0.00 66.02 63.44 3iu3 s SER 134 CO 0.00 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.68 3iu3 n GLY 135 N 4.48 3.28 0.08 9.45 0.00 -1.26 -2.04 105.19 119.18 3iu3 n GLY 135 Ca 0.02 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.55 3.77 -0.02 0.00 -1.26 -4.82 105.19 101.31 3iu3 n GLY 136 Ca 0.00 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.12 5.27 0.20 2.61 2.01 -0.87 0.22 115.64 121.97 3iu3 s THR 137 Ca 0.10 0.58 0.08 0.00 0.31 0.00 0.00 61.69 62.76 3iu3 s THR 137 Cb 0.13 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 3iu3 s THR 137 CO 0.53 0.46 -0.00 0.00 -0.69 0.00 0.00 174.62 174.91 3iu3 s ALA 138 N -0.05 3.18 -0.07 7.40 0.00 0.42 -0.10 121.76 132.54 3iu3 s ALA 138 Ca 0.18 -1.44 0.02 0.00 0.00 0.00 0.00 51.96 50.72 3iu3 s ALA 138 Cb -0.14 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.06 3iu3 s ALA 138 CO 0.06 0.42 -0.11 0.00 0.00 0.00 0.00 175.76 176.13 3iu3 s ALA 139 N -1.87 1.23 0.18 0.00 0.00 -0.24 -1.21 121.76 119.85 3iu3 s ALA 139 Ca 0.28 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.84 3iu3 s ALA 139 Cb -0.09 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 3iu3 s ALA 139 CO 0.19 0.07 0.07 -0.48 0.00 0.00 0.00 175.76 175.60 3iu3 s LEU 140 N 0.76 1.68 0.00 0.00 -0.00 -0.71 -4.46 118.68 115.96 3iu3 s LEU 140 Ca -0.13 -1.28 -0.04 0.00 -0.00 0.00 0.00 54.13 52.69 3iu3 s LEU 140 Cb -0.15 0.18 0.01 0.00 -0.00 0.00 0.00 46.19 46.23 3iu3 s LEU 140 CO 0.03 -0.72 0.18 0.61 -0.00 0.00 0.00 176.35 176.45 3iu3 n GLY 141 N -0.24 1.05 3.20 -3.48 0.00 -0.87 -0.03 105.19 104.83 3iu3 n GLY 141 Ca -0.03 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 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 0.11 4.83 -0.47 0.00 2.96 0.10 -0.39 118.68 125.82 3iu3 s LEU 143 Ca -0.09 -0.65 -0.13 0.00 -0.22 0.00 0.00 54.13 53.03 3iu3 s LEU 143 Cb -0.15 -2.44 0.09 0.00 0.50 0.00 0.00 46.19 44.19 3iu3 s LEU 143 CO 0.05 -0.63 0.38 -0.69 -1.32 0.00 0.00 176.35 174.14 3iu3 s VAL 144 N 2.27 4.88 0.06 1.68 1.01 -0.25 -1.08 120.40 128.97 3iu3 s VAL 144 Ca 0.14 -1.32 0.07 0.00 0.00 0.00 0.00 61.98 60.87 3iu3 s VAL 144 Cb -0.17 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 3iu3 s VAL 144 CO 0.14 -0.65 -0.20 -0.75 0.00 0.00 0.00 175.10 173.65 3iu3 s LYS 145 N 1.55 1.21 -0.76 2.72 2.20 -0.43 -0.89 119.74 125.34 3iu3 s LYS 145 Ca 0.04 -0.99 -0.04 0.00 -0.36 0.00 0.00 55.97 54.62 3iu3 s LYS 145 Cb -0.25 -1.35 -0.04 0.00 -1.51 0.00 0.00 37.83 34.67 3iu3 s LYS 145 CO 0.04 0.33 0.67 -0.25 -0.36 0.00 0.00 175.35 175.78 3iu3 n ASP 146 N 1.57 -5.72 -4.19 1.43 8.00 -0.51 -1.60 116.55 115.53 3iu3 n ASP 146 Ca -0.18 -0.45 -0.17 0.00 0.71 0.00 0.00 54.79 54.70 3iu3 n ASP 146 Cb 0.54 -4.13 -0.11 0.00 -0.02 0.00 0.00 41.12 37.39 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 -3.24 1.20 -0.23 1.24 1.13 -0.55 -4.25 117.35 112.66 3iu3 s TYR 147 Ca 0.28 -0.56 -0.18 0.00 -1.41 0.00 0.00 57.07 55.21 3iu3 s TYR 147 Cb -0.04 -0.65 0.06 0.00 -1.10 0.00 0.00 41.96 40.23 3iu3 s TYR 147 CO 0.57 0.06 0.58 0.12 -2.51 0.00 0.00 175.55 174.37 3iu3 s PHE 148 N -1.96 -0.73 0.00 -3.49 2.19 -0.59 0.36 117.98 113.77 3iu3 s PHE 148 Ca 0.04 1.65 0.00 0.00 0.33 0.00 0.00 56.93 58.95 3iu3 s PHE 148 Cb -0.06 0.32 0.00 0.00 -1.31 0.00 0.00 43.02 41.97 3iu3 s PHE 148 CO 0.02 -0.36 0.00 -0.35 1.83 0.00 0.00 175.22 176.35 3iu3 n PRO 149 N 3.32 2.89 -3.07 10.12 -0.04 -1.26 -0.43 135.00 146.52 3iu3 n PRO 149 Ca -0.16 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.01 3iu3 n PRO 149 Cb 0.56 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.00 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 2.15 3.63 0.34 0.54 2.02 -1.26 -4.69 118.70 121.43 3iu3 s GLU 150 Ca 0.00 0.12 0.06 0.00 0.02 0.00 0.00 54.97 55.17 3iu3 s GLU 150 Cb 0.00 -2.53 -0.01 0.00 0.10 0.00 0.00 34.13 31.69 3iu3 s GLU 150 CO 0.00 0.05 0.48 -1.25 0.02 0.00 0.00 175.26 174.57 3iu3 s PRO 151 N -3.98 3.11 0.18 0.39 0.04 -1.26 -5.00 135.00 128.48 3iu3 s PRO 151 Ca 0.46 -0.99 0.07 0.00 0.04 0.00 0.00 61.00 60.58 3iu3 s PRO 151 Cb -0.10 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 3iu3 s PRO 151 CO 0.34 0.04 0.06 0.08 0.04 0.00 0.00 177.00 177.57 3iu3 s VAL 152 N -2.20 4.04 -0.09 -0.36 1.01 -1.26 -4.56 120.40 116.98 3iu3 s VAL 152 Ca 0.45 -1.32 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3iu3 s VAL 152 Cb -0.10 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.23 3iu3 s VAL 152 CO 0.31 -0.14 -0.17 -0.89 0.00 0.00 0.00 175.10 174.22 3iu3 s THR 153 N -1.79 1.53 -0.10 3.92 2.01 0.74 -4.97 115.64 116.98 3iu3 s THR 153 Ca 0.29 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.63 3iu3 s THR 153 Cb -0.09 -1.37 0.01 0.00 0.01 0.00 0.00 72.50 71.06 3iu3 s THR 153 CO 0.21 0.44 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.72 3iu3 s VAL 154 N 0.71 1.58 0.15 3.82 1.01 -1.26 0.16 120.40 126.57 3iu3 s VAL 154 Ca -0.12 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3iu3 s VAL 154 Cb -0.16 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3iu3 s VAL 154 CO 0.03 0.45 -0.02 -0.94 0.00 0.00 0.00 175.10 174.62 3iu3 s SER 155 N 0.73 1.24 -0.08 3.32 1.04 -0.70 -4.97 113.70 114.29 3iu3 s SER 155 Ca -0.12 -1.12 0.03 0.00 0.48 0.00 0.00 55.95 55.22 3iu3 s SER 155 Cb -0.16 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.05 3iu3 s SER 155 CO 0.02 -0.53 -0.18 0.26 0.98 0.00 0.00 173.24 173.80 3iu3 s TRP 156 N -3.62 2.65 -1.38 5.02 0.52 -1.26 0.86 118.94 121.72 3iu3 s TRP 156 Ca 0.20 -0.54 -0.01 0.00 0.02 0.00 0.00 56.10 55.77 3iu3 s TRP 156 Cb 0.06 -1.70 0.00 0.00 -1.15 0.00 0.00 33.47 30.69 3iu3 s TRP 156 CO 0.02 -0.10 0.54 0.09 0.02 0.00 0.00 176.95 177.51 3iu3 n ASN 157 N 2.98 -0.76 -2.49 2.95 3.02 0.13 -1.01 115.26 120.07 3iu3 n ASN 157 Ca -0.18 -0.93 -0.19 0.00 -0.03 0.00 0.00 54.58 53.25 3iu3 n ASN 157 Cb 0.52 -3.44 -0.00 0.00 -0.61 0.00 0.00 39.78 36.25 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 -3.00 -5.46 0.00 6.41 7.64 -1.26 -2.30 113.62 115.64 3iu3 n SER 158 Ca -0.29 -0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.58 3iu3 n SER 158 Cb 0.68 -4.55 0.00 0.00 -1.01 0.00 0.00 64.21 59.33 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 -1.02 0.75 0.14 0.23 0.00 -0.18 -4.95 105.19 100.16 3iu3 n GLY 159 Ca -0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 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 0.58 -3.00 4.61 0.00 -1.03 -3.44 119.26 116.98 3iu3 h ALA 160 Ca 0.00 -0.67 -0.59 0.00 0.00 0.00 0.00 54.91 53.65 3iu3 h ALA 160 Cb 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.63 3iu3 h ALA 160 CO 0.00 0.85 -0.25 -1.17 0.00 0.00 0.00 179.25 178.69 3iu3 s LEU 161 N -7.60 4.27 0.09 0.00 2.96 -1.06 -4.93 118.68 112.41 3iu3 s LEU 161 Ca -0.04 0.65 0.00 0.00 -0.22 0.00 0.00 54.13 54.53 3iu3 s LEU 161 Cb 0.10 -2.51 0.00 0.00 0.50 0.00 0.00 46.19 44.29 3iu3 s LEU 161 CO 0.83 0.08 0.00 0.41 -1.32 0.00 0.00 176.35 176.34 3iu3 n THR 162 N 3.49 0.09 -1.67 3.68 -1.04 -1.26 -4.36 114.28 113.21 3iu3 n THR 162 Ca -0.10 0.03 -0.45 0.00 -2.04 0.00 0.00 64.05 61.49 3iu3 n THR 162 Cb 0.52 -0.71 -0.03 0.00 -1.82 0.00 0.00 70.33 68.28 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 2.85 -0.99 8.00 7.64 -1.26 -2.32 113.62 124.62 3iu3 n SER 163 Ca 0.00 1.13 -0.13 0.00 1.01 0.00 0.00 58.87 60.88 3iu3 n SER 163 Cb 0.07 -1.43 -0.06 0.00 -1.01 0.00 0.00 64.21 61.78 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 2.41 1.36 3.69 0.23 0.00 -1.26 -4.74 105.19 106.88 3iu3 n GLY 164 Ca 0.13 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.43 5.10 -0.17 1.61 1.01 -0.98 -1.76 120.40 122.78 3iu3 s VAL 165 Ca 0.00 1.09 0.01 0.00 0.00 0.00 0.00 61.98 63.08 3iu3 s VAL 165 Cb 0.00 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.51 3iu3 s VAL 165 CO 0.00 0.22 -0.16 -1.00 0.00 0.00 0.00 175.10 174.15 3iu3 s HIS 166 N 1.27 2.45 -0.30 5.22 3.76 0.20 -4.99 115.29 122.89 3iu3 s HIS 166 Ca 0.28 -1.43 -0.06 0.00 -0.15 0.00 0.00 55.06 53.70 3iu3 s HIS 166 Cb -0.16 -1.74 0.02 0.00 1.11 0.00 0.00 32.58 31.81 3iu3 s HIS 166 CO 0.11 -0.73 0.07 0.99 -0.85 0.00 0.00 174.74 174.33 3iu3 s THR 167 N 1.40 3.80 0.48 1.30 2.01 -1.26 -0.09 115.64 123.27 3iu3 s THR 167 Ca 0.04 -0.83 -0.20 0.00 0.31 0.00 0.00 61.69 61.02 3iu3 s THR 167 Cb -0.13 -3.00 -0.09 0.00 0.01 0.00 0.00 72.50 69.29 3iu3 s THR 167 CO -0.11 0.04 1.02 -0.36 -0.69 0.00 0.00 174.62 174.51 3iu3 s PHE 168 N 1.46 3.06 0.52 4.92 0.40 -0.66 -5.00 117.98 122.68 3iu3 s PHE 168 Ca 0.01 1.58 -0.22 0.00 -0.60 0.00 0.00 56.93 57.70 3iu3 s PHE 168 Cb -0.18 -3.02 -0.06 0.00 0.51 0.00 0.00 43.02 40.27 3iu3 s PHE 168 CO 0.02 -0.68 1.24 -2.30 0.70 0.00 0.00 175.22 174.20 3iu3 n PRO 169 N -0.91 1.58 -2.33 0.24 -0.02 -1.26 -4.61 135.00 127.69 3iu3 n PRO 169 Ca 0.09 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.74 3iu3 n PRO 169 Cb 0.53 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 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 -1.31 3.45 -0.13 3.55 0.00 -1.26 -4.83 121.76 121.24 3iu3 s ALA 170 Ca 0.69 1.04 -0.03 0.00 0.00 0.00 0.00 51.96 53.67 3iu3 s ALA 170 Cb -0.45 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.24 3iu3 s ALA 170 CO 0.51 -0.37 -0.03 0.54 0.00 0.00 0.00 175.76 176.41 3iu3 s VAL 171 N -0.90 3.98 0.05 0.00 0.11 -0.74 -4.95 120.40 117.94 3iu3 s VAL 171 Ca 0.48 -0.35 -0.31 0.00 -2.93 0.00 0.00 61.98 58.88 3iu3 s VAL 171 Cb -0.35 -2.71 -0.06 0.00 -1.53 0.00 0.00 36.38 31.74 3iu3 s VAL 171 CO 0.44 0.54 1.27 -0.22 -3.33 0.00 0.00 175.10 173.79 3iu3 s LEU 172 N -0.12 4.35 0.69 2.54 2.96 -1.26 -2.67 118.68 125.16 3iu3 s LEU 172 Ca 0.03 2.06 -0.03 0.00 -0.22 0.00 0.00 54.13 55.97 3iu3 s LEU 172 Cb -0.13 -3.57 0.09 0.00 0.50 0.00 0.00 46.19 43.07 3iu3 s LEU 172 CO 0.02 -0.56 0.96 -1.10 -1.32 0.00 0.00 176.35 174.36 3iu3 s GLN 173 N 1.44 1.98 0.23 1.98 -0.21 -0.64 -5.00 119.66 119.44 3iu3 s GLN 173 Ca 0.60 -0.73 -0.05 0.00 0.02 0.00 0.00 55.36 55.20 3iu3 s GLN 173 Cb -0.30 -2.29 0.23 0.00 1.00 0.00 0.00 33.01 31.64 3iu3 s GLN 173 CO 0.28 -1.26 1.77 0.77 -2.12 0.00 0.00 175.29 174.73 3iu3 h SER 174 N -0.46 0.97 0.10 5.90 0.02 -1.96 -2.71 113.55 115.41 3iu3 h SER 174 Ca -0.41 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 3iu3 h SER 174 Cb 1.29 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.57 3iu3 h SER 174 CO 0.49 0.93 0.00 0.77 -1.14 0.00 0.00 176.83 177.88 3iu3 h SER 175 N 0.99 0.00 0.00 3.07 4.64 -2.03 -3.45 113.55 116.78 3iu3 h SER 175 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3iu3 h SER 175 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3iu3 h SER 175 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3iu3 n GLY 176 N -1.05 0.62 3.91 -0.77 0.00 -1.02 -4.97 105.19 101.92 3iu3 n GLY 176 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 4.36 0.61 0.99 1.43 -1.26 -4.83 118.68 119.97 3iu3 s LEU 177 Ca 0.00 0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 53.34 3iu3 s LEU 177 Cb 0.00 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.35 3iu3 s LEU 177 CO 0.00 0.19 0.93 -0.31 0.23 0.00 0.00 176.35 177.40 3iu3 s TYR 178 N -1.46 3.30 -0.07 0.29 2.02 0.16 -1.62 117.35 119.97 3iu3 s TYR 178 Ca 0.33 0.76 -0.25 0.00 -0.37 0.00 0.00 57.07 57.54 3iu3 s TYR 178 Cb -0.13 -2.77 0.06 0.00 -0.40 0.00 0.00 41.96 38.72 3iu3 s TYR 178 CO 0.25 -0.85 0.56 0.45 -1.57 0.00 0.00 175.55 174.40 3iu3 s SER 179 N -4.30 -0.53 0.26 2.29 0.15 -1.09 -1.43 113.70 109.06 3iu3 s SER 179 Ca 0.54 0.64 -0.18 0.00 0.70 0.00 0.00 55.95 57.65 3iu3 s SER 179 Cb -0.11 0.60 0.01 0.00 -1.71 0.00 0.00 66.02 64.82 3iu3 s SER 179 CO 0.47 -0.49 0.63 -1.48 1.20 0.00 0.00 173.24 173.56 3iu3 s LEU 180 N -0.96 -0.05 -0.03 3.45 0.05 -0.07 -1.78 118.68 119.30 3iu3 s LEU 180 Ca -0.10 -0.70 0.07 0.00 0.05 0.00 0.00 54.13 53.45 3iu3 s LEU 180 Cb -0.02 2.37 -0.02 0.00 -2.05 0.00 0.00 46.19 46.47 3iu3 s LEU 180 CO 0.07 -1.26 -0.24 -0.44 -0.55 0.00 0.00 176.35 173.93 3iu3 s SER 181 N -2.95 2.80 -0.08 1.48 0.01 -1.26 -1.09 113.70 112.60 3iu3 s SER 181 Ca 0.15 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.97 3iu3 s SER 181 Cb -0.04 -0.40 -0.03 0.00 0.21 0.00 0.00 66.02 65.76 3iu3 s SER 181 CO 0.07 0.28 -0.07 -0.55 0.41 0.00 0.00 173.24 173.37 3iu3 s SER 182 N -0.47 4.58 0.01 2.44 0.15 0.48 -1.65 113.70 119.25 3iu3 s SER 182 Ca 0.07 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.65 3iu3 s SER 182 Cb -0.10 -1.27 -0.01 0.00 -1.71 0.00 0.00 66.02 62.93 3iu3 s SER 182 CO -0.00 0.32 -0.02 -0.69 1.20 0.00 0.00 173.24 174.05 3iu3 s VAL 183 N -0.55 0.10 0.00 4.45 1.01 0.87 0.60 120.40 126.88 3iu3 s VAL 183 Ca 0.08 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3iu3 s VAL 183 Cb -0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 36.38 36.09 3iu3 s VAL 183 CO 0.02 -0.21 -0.03 0.54 0.00 0.00 0.00 175.10 175.42 3iu3 s VAL 184 N -0.66 0.20 -0.21 2.92 0.11 0.96 0.59 120.40 124.32 3iu3 s VAL 184 Ca -0.07 -0.21 -0.07 0.00 -2.93 0.00 0.00 61.98 58.71 3iu3 s VAL 184 Cb -0.05 -0.20 -0.03 0.00 -1.53 0.00 0.00 36.38 34.57 3iu3 s VAL 184 CO -0.00 -0.01 0.05 0.42 -3.33 0.00 0.00 175.10 172.23 3iu3 s THR 185 N -0.22 4.46 0.25 5.04 -4.23 -0.72 -1.73 115.64 118.49 3iu3 s THR 185 Ca -0.01 -0.14 0.06 0.00 -1.18 0.00 0.00 61.69 60.43 3iu3 s THR 185 Cb -0.02 -3.04 -0.05 0.00 1.34 0.00 0.00 72.50 70.73 3iu3 s THR 185 CO -0.00 0.41 -0.07 0.68 -0.54 0.00 0.00 174.62 175.10 3iu3 s VAL 186 N 0.91 1.53 0.37 2.29 -7.23 -0.35 -4.76 120.40 113.16 3iu3 s VAL 186 Ca 0.03 -2.13 -0.28 0.00 -1.81 0.00 0.00 61.98 57.80 3iu3 s VAL 186 Cb -0.14 -2.31 -0.10 0.00 0.56 0.00 0.00 36.38 34.39 3iu3 s VAL 186 CO 0.02 -0.39 1.38 -2.84 -0.31 0.00 0.00 175.10 172.96 3iu3 s PRO 187 N -3.73 4.16 0.28 4.82 0.02 -1.26 -0.44 135.00 138.85 3iu3 s PRO 187 Ca 0.27 2.35 -0.02 0.00 0.02 0.00 0.00 61.00 63.62 3iu3 s PRO 187 Cb 0.03 -2.96 0.40 0.00 0.02 0.00 0.00 34.50 31.99 3iu3 s PRO 187 CO 0.10 -0.40 1.86 0.77 -0.33 0.00 0.00 177.00 179.00 3iu3 h SER 188 N 3.07 0.85 0.32 2.53 0.02 -0.54 -2.89 113.55 116.91 3iu3 h SER 188 Ca -0.50 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.28 3iu3 h SER 188 Cb 1.24 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 3iu3 h SER 188 CO 0.64 0.75 -0.30 0.77 -1.14 0.00 0.00 176.83 177.55 3iu3 h SER 189 N 0.92 0.00 0.00 3.07 4.64 -1.92 -2.35 113.55 117.91 3iu3 h SER 189 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3iu3 h SER 189 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3iu3 h SER 189 CO -0.02 0.30 0.00 -1.54 -0.87 0.00 0.00 176.83 174.70 3iu3 n SER 190 N -4.14 0.00 -0.05 4.97 3.41 -1.09 -3.71 113.62 113.00 3iu3 n SER 190 Ca -0.02 -0.99 -0.03 0.00 -0.26 0.00 0.00 58.87 57.57 3iu3 n SER 190 Cb 0.35 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.50 3iu3 n SER 190 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3iu3 h LEU 191 N 0.00 0.63 0.02 1.04 3.38 -1.51 -1.60 115.31 117.28 3iu3 h LEU 191 Ca 0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3iu3 h LEU 191 Cb 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3iu3 h LEU 191 CO 0.00 0.75 -0.01 1.23 0.09 0.00 0.00 178.44 180.50 3iu3 h GLY 192 N 0.95 -0.03 0.10 0.83 0.00 -1.79 -3.40 103.07 99.73 3iu3 h GLY 192 Ca 0.12 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 3iu3 h GLY 192 CO 0.02 -0.01 -0.05 -0.91 0.00 0.00 0.00 176.54 175.60 3iu3 h THR 193 N -0.63 0.00 -3.85 4.70 1.35 -1.75 -3.46 112.91 109.26 3iu3 h THR 193 Ca -0.00 -0.06 -0.51 0.00 -0.55 0.00 0.00 66.41 65.29 3iu3 h THR 193 Cb 0.59 0.00 0.04 0.00 -1.73 0.00 0.00 68.15 67.05 3iu3 h THR 193 CO 0.01 0.00 0.52 -1.58 -0.25 0.00 0.00 175.52 174.22 3iu3 s GLN 194 N -2.57 4.46 0.04 4.72 2.00 -0.60 -5.04 119.66 122.66 3iu3 s GLN 194 Ca -0.02 1.92 -0.11 0.00 -2.00 0.00 0.00 55.36 55.15 3iu3 s GLN 194 Cb 0.00 -3.06 -0.06 0.00 0.80 0.00 0.00 33.01 30.70 3iu3 s GLN 194 CO 0.06 0.01 0.38 0.99 -0.50 0.00 0.00 175.29 176.23 3iu3 s THR 195 N -1.21 5.11 -0.21 -0.34 2.01 -1.26 -4.76 115.64 114.99 3iu3 s THR 195 Ca 0.48 0.54 0.01 0.00 0.31 0.00 0.00 61.69 63.03 3iu3 s THR 195 Cb -0.34 -3.65 0.05 0.00 0.01 0.00 0.00 72.50 68.58 3iu3 s THR 195 CO 0.44 0.41 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.39 3iu3 s TYR 196 N -1.27 2.30 -0.08 4.92 2.02 -1.26 -4.96 117.35 119.02 3iu3 s TYR 196 Ca 0.29 -1.57 0.02 0.00 -0.37 0.00 0.00 57.07 55.44 3iu3 s TYR 196 Cb -0.15 -1.57 0.01 0.00 -0.40 0.00 0.00 41.96 39.86 3iu3 s TYR 196 CO 0.16 -0.73 -0.13 0.42 -1.57 0.00 0.00 175.55 173.69 3iu3 s ILE 197 N 1.43 1.26 -0.17 2.71 1.01 -1.26 -0.15 121.20 126.02 3iu3 s ILE 197 Ca -0.02 -0.52 -0.10 0.00 0.00 0.00 0.00 60.65 60.01 3iu3 s ILE 197 Cb -0.17 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 3iu3 s ILE 197 CO -0.07 0.39 0.16 0.00 0.00 0.00 0.00 174.94 175.42 3iu3 s ASN 199 N 0.01 6.01 -0.28 0.00 0.01 0.25 -2.37 114.94 118.57 3iu3 s ASN 199 Ca 0.11 -0.86 -0.08 0.00 -0.71 0.00 0.00 52.86 51.33 3iu3 s ASN 199 Cb -0.12 -2.12 -0.01 0.00 0.41 0.00 0.00 41.25 39.41 3iu3 s ASN 199 CO 0.01 -0.41 0.09 -0.69 -1.51 0.00 0.00 177.10 174.59 3iu3 s VAL 200 N 1.66 4.24 -0.11 1.60 1.01 -0.73 -1.71 120.40 126.35 3iu3 s VAL 200 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3iu3 s VAL 200 Cb -0.19 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 3iu3 s VAL 200 CO 0.09 0.18 -0.10 0.20 0.00 0.00 0.00 175.10 175.46 3iu3 s ASN 201 N 1.57 4.27 -0.41 3.32 -0.87 0.12 -1.97 114.94 120.97 3iu3 s ASN 201 Ca 0.05 -0.22 0.02 0.00 -1.57 0.00 0.00 52.86 51.13 3iu3 s ASN 201 Cb -0.16 -1.43 0.14 0.00 -0.02 0.00 0.00 41.25 39.77 3iu3 s ASN 201 CO 0.04 0.23 0.24 -2.28 -2.57 0.00 0.00 177.10 172.75 3iu3 s HIS 202 N -0.03 1.56 0.17 2.20 2.46 -0.38 -0.19 115.29 121.09 3iu3 s HIS 202 Ca -0.02 -2.17 -0.15 0.00 0.47 0.00 0.00 55.06 53.19 3iu3 s HIS 202 Cb -0.14 -1.55 0.13 0.00 -0.13 0.00 0.00 32.58 30.89 3iu3 s HIS 202 CO 0.04 -0.80 1.70 0.87 -2.47 0.00 0.00 174.74 174.08 3iu3 h LYS 203 N 6.77 0.12 -1.09 2.88 1.79 -1.80 -2.31 116.57 122.93 3iu3 h LYS 203 Ca 0.02 -0.01 0.30 0.00 -2.18 0.00 0.00 60.65 58.78 3iu3 h LYS 203 Cb 0.94 -0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 31.48 3iu3 h LYS 203 CO 0.41 0.08 0.73 -1.35 -1.08 0.00 0.00 179.45 178.24 3iu3 h PRO 204 N 0.12 0.24 -0.32 3.15 0.11 -1.94 -1.42 132.00 131.94 3iu3 h PRO 204 Ca 0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3iu3 h PRO 204 Cb 0.30 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3iu3 h PRO 204 CO -0.34 0.16 0.00 -1.13 -0.21 0.00 0.00 178.00 176.48 3iu3 n SER 205 N -4.49 2.90 -3.88 -2.05 3.41 -1.01 -4.98 113.62 103.53 3iu3 n SER 205 Ca 0.26 -1.87 -0.24 0.00 -0.26 0.00 0.00 58.87 56.75 3iu3 n SER 205 Cb 1.01 -0.21 -0.00 0.00 -0.26 0.00 0.00 64.21 64.75 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 0.84 -0.73 -4.33 4.04 5.15 -0.54 -4.91 115.26 114.79 3iu3 n ASN 206 Ca 0.13 -0.94 -0.31 0.00 -0.60 0.00 0.00 54.58 52.86 3iu3 n ASN 206 Cb 0.45 -3.38 -0.15 0.00 -0.53 0.00 0.00 39.78 36.16 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 -3.84 2.18 -0.27 -0.44 2.01 -0.90 -5.04 115.64 109.33 3iu3 s THR 207 Ca 0.03 -1.11 -0.03 0.00 0.31 0.00 0.00 61.69 60.90 3iu3 s THR 207 Cb -0.02 -1.77 0.15 0.00 0.01 0.00 0.00 72.50 70.87 3iu3 s THR 207 CO 0.86 0.55 0.50 -0.75 -0.69 0.00 0.00 174.62 175.09 3iu3 s LYS 208 N -0.71 0.46 -0.11 4.92 2.20 -1.26 -1.25 119.74 123.98 3iu3 s LYS 208 Ca 0.10 0.86 0.02 0.00 -0.36 0.00 0.00 55.97 56.59 3iu3 s LYS 208 Cb -0.10 0.14 -0.01 0.00 -1.51 0.00 0.00 37.83 36.35 3iu3 s LYS 208 CO -0.00 -0.56 -0.19 0.54 -0.36 0.00 0.00 175.35 174.78 3iu3 s VAL 209 N 2.71 2.50 -0.46 4.02 0.11 -0.83 -4.99 120.40 123.46 3iu3 s VAL 209 Ca 0.13 -0.86 -0.13 0.00 -2.93 0.00 0.00 61.98 58.18 3iu3 s VAL 209 Cb -0.15 -2.00 0.08 0.00 -1.53 0.00 0.00 36.38 32.78 3iu3 s VAL 209 CO -0.18 0.55 0.36 -1.81 -3.33 0.00 0.00 175.10 170.68 3iu3 s ASP 210 N 0.28 5.98 -0.08 3.54 -0.00 -1.26 -1.78 116.67 123.34 3iu3 s ASP 210 Ca -0.14 -1.42 -0.07 0.00 -0.00 0.00 0.00 52.55 50.92 3iu3 s ASP 210 Cb -0.17 -2.12 -0.04 0.00 -0.00 0.00 0.00 42.92 40.59 3iu3 s ASP 210 CO 0.07 -0.62 0.17 -0.75 -0.00 0.00 0.00 175.17 174.04 3iu3 s LYS 211 N 1.56 3.48 -0.15 8.23 2.47 -1.00 -4.95 119.74 129.38 3iu3 s LYS 211 Ca 0.04 -0.12 -0.12 0.00 -1.56 0.00 0.00 55.97 54.20 3iu3 s LYS 211 Cb -0.24 -3.17 -0.05 0.00 -1.46 0.00 0.00 37.83 32.91 3iu3 s LYS 211 CO 0.05 0.75 0.25 0.50 0.16 0.00 0.00 175.35 177.05 3iu3 s ARG 212 N -1.24 4.13 -0.32 4.03 3.52 -1.26 -1.44 118.95 126.37 3iu3 s ARG 212 Ca 0.19 0.02 -0.13 0.00 -0.13 0.00 0.00 55.73 55.68 3iu3 s ARG 212 Cb -0.12 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 3iu3 s ARG 212 CO 0.08 0.35 0.26 0.08 -0.81 0.00 0.00 175.30 175.26 3iu3 s VAL 213 N 0.16 5.26 -0.05 7.11 1.01 0.78 -4.89 120.40 129.79 3iu3 s VAL 213 Ca 0.15 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.18 3iu3 s VAL 213 Cb -0.13 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.58 3iu3 s VAL 213 CO 0.03 0.07 -0.11 -0.70 0.00 0.00 0.00 175.10 174.39 3iu3 s GLU 214 N 1.82 1.38 0.00 2.72 2.12 -1.26 -4.34 118.70 121.14 3iu3 s GLU 214 Ca 0.08 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.03 3iu3 s GLU 214 Cb -0.17 -1.21 0.00 0.00 0.26 0.00 0.00 34.13 33.02 3iu3 s GLU 214 CO 0.11 0.09 0.20 -2.30 -0.54 0.00 0.00 175.26 172.82