#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iu3 n ILE 2 N 0.00 0.63 -4.63 -0.39 -0.00 -1.26 -4.98 119.36 108.73 3iu3 n ILE 2 Ca 0.00 -0.16 -0.31 0.00 -0.00 0.00 0.00 62.75 62.28 3iu3 n ILE 2 Cb 0.00 -0.16 -0.17 0.00 -0.00 0.00 0.00 39.64 39.32 3iu3 n ILE 2 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 3iu3 s VAL 3 N -0.25 1.85 -0.11 1.39 1.01 -1.26 -4.81 120.40 118.22 3iu3 s VAL 3 Ca 0.81 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 3iu3 s VAL 3 Cb -1.11 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 3iu3 s VAL 3 CO 0.56 0.51 0.17 -0.44 0.00 0.00 0.00 175.10 175.90 3iu3 s SER 4 N 0.84 6.44 -0.02 3.32 0.01 -1.26 -1.52 113.70 121.51 3iu3 s SER 4 Ca -0.08 0.53 0.02 0.00 1.31 0.00 0.00 55.95 57.73 3iu3 s SER 4 Cb -0.15 -2.09 0.01 0.00 0.21 0.00 0.00 66.02 63.99 3iu3 s SER 4 CO -0.01 0.39 -0.06 0.42 0.41 0.00 0.00 173.24 174.39 3iu3 s THR 5 N -1.00 0.55 -0.04 1.44 -4.23 -0.30 -4.12 115.64 107.93 3iu3 s THR 5 Ca 0.16 -0.23 0.05 0.00 -1.18 0.00 0.00 61.69 60.48 3iu3 s THR 5 Cb -0.13 -0.50 -0.02 0.00 1.34 0.00 0.00 72.50 73.19 3iu3 s THR 5 CO 0.05 0.18 -0.17 -1.10 -0.54 0.00 0.00 174.62 173.04 3iu3 s GLN 6 N 0.25 2.43 -0.07 3.99 -0.21 -1.26 -0.10 119.66 124.69 3iu3 s GLN 6 Ca -0.03 -0.75 0.00 0.00 0.02 0.00 0.00 55.36 54.61 3iu3 s GLN 6 Cb -0.07 -2.31 0.02 0.00 1.00 0.00 0.00 33.01 31.65 3iu3 s GLN 6 CO -0.00 0.60 -0.05 0.45 -2.12 0.00 0.00 175.29 174.17 3iu3 s SER 7 N -0.69 1.45 0.92 5.90 0.15 -0.13 -4.37 113.70 116.93 3iu3 s SER 7 Ca 0.11 -0.17 -0.11 0.00 0.70 0.00 0.00 55.95 56.48 3iu3 s SER 7 Cb -0.11 -0.57 0.18 0.00 -1.71 0.00 0.00 66.02 63.81 3iu3 s SER 7 CO 0.00 -0.09 1.08 -0.81 1.20 0.00 0.00 173.24 174.62 3iu3 n PRO 8 N 4.45 -0.84 -0.08 5.44 -0.05 -1.26 -0.97 135.00 141.69 3iu3 n PRO 8 Ca -0.18 -1.92 -0.22 0.00 -0.05 0.00 0.00 63.50 61.13 3iu3 n PRO 8 Cb 0.51 -1.03 -0.12 0.00 -0.05 0.00 0.00 33.50 32.81 3iu3 n PRO 8 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3iu3 n ALA 9 N -3.54 0.86 -2.51 0.55 0.00 -1.26 -4.23 120.51 110.39 3iu3 n ALA 9 Ca -0.18 -0.58 -0.26 0.00 0.00 0.00 0.00 53.44 52.42 3iu3 n ALA 9 Cb 0.50 -0.52 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 3iu3 n ALA 9 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3iu3 s ILE 10 N -2.43 2.85 -0.28 0.00 1.09 -1.26 -0.46 121.20 120.70 3iu3 s ILE 10 Ca -0.28 -1.85 -0.22 0.00 -1.10 0.00 0.00 60.65 57.20 3iu3 s ILE 10 Cb 0.07 -2.41 0.11 0.00 -1.06 0.00 0.00 42.46 39.17 3iu3 s ILE 10 CO 0.63 -0.14 0.89 -0.32 -0.10 0.00 0.00 174.94 175.90 3iu3 s MET 11 N -2.85 0.60 0.06 2.79 1.75 -0.54 -4.89 119.30 116.22 3iu3 s MET 11 Ca 0.24 0.81 0.08 0.00 -1.25 0.00 0.00 55.69 55.57 3iu3 s MET 11 Cb -0.08 0.24 -0.03 0.00 2.84 0.00 0.00 34.83 37.80 3iu3 s MET 11 CO 0.13 -0.09 -0.22 -1.12 -0.65 0.00 0.00 175.02 173.07 3iu3 s SER 12 N 0.69 2.69 -0.10 1.11 0.01 -1.26 -0.31 113.70 116.54 3iu3 s SER 12 Ca -0.02 -0.58 -0.10 0.00 1.31 0.00 0.00 55.95 56.56 3iu3 s SER 12 Cb -0.05 -0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.00 3iu3 s SER 12 CO -0.08 0.17 0.28 0.00 0.41 0.00 0.00 173.24 174.02 3iu3 s ALA 13 N -0.87 -0.70 0.26 1.44 0.00 -0.87 -4.76 121.76 116.26 3iu3 s ALA 13 Ca 0.09 0.74 -0.18 0.00 0.00 0.00 0.00 51.96 52.60 3iu3 s ALA 13 Cb -0.09 -0.40 -0.09 0.00 0.00 0.00 0.00 23.12 22.54 3iu3 s ALA 13 CO 0.02 -0.15 0.74 -1.12 0.00 0.00 0.00 175.76 175.25 3iu3 s SER 14 N -0.03 6.97 -0.12 0.00 0.01 -1.26 0.29 113.70 119.56 3iu3 s SER 14 Ca -0.02 1.39 -0.39 0.00 1.31 0.00 0.00 55.95 58.24 3iu3 s SER 14 Cb -0.02 -2.41 -0.16 0.00 0.21 0.00 0.00 66.02 63.63 3iu3 s SER 14 CO 0.01 -0.05 1.55 -2.65 0.41 0.00 0.00 173.24 172.50 3iu3 n PRO 15 N 0.34 1.09 0.00 12.44 -0.02 -1.26 -0.68 135.00 146.90 3iu3 n PRO 15 Ca -0.00 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3iu3 n PRO 15 Cb 0.52 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3iu3 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iu3 n GLY 16 N 3.39 2.95 3.72 -1.23 0.00 -0.19 -4.87 105.19 108.96 3iu3 n GLY 16 Ca 0.23 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 3iu3 n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iu3 n GLU 17 N 0.00 2.32 -2.42 1.61 1.02 0.14 -3.88 120.64 119.43 3iu3 n GLU 17 Ca 0.00 0.81 -0.41 0.00 -0.02 0.00 0.00 57.16 57.55 3iu3 n GLU 17 Cb 0.00 -2.45 -0.04 0.00 -0.02 0.00 0.00 31.44 28.93 3iu3 n GLU 17 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3iu3 s LYS 18 N -1.89 4.57 0.12 3.49 2.20 -1.25 -1.46 119.74 125.52 3iu3 s LYS 18 Ca 0.55 1.85 0.07 0.00 -0.36 0.00 0.00 55.97 58.08 3iu3 s LYS 18 Cb -0.54 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 3iu3 s LYS 18 CO 0.62 0.08 -0.17 0.14 -0.36 0.00 0.00 175.35 175.67 3iu3 s VAL 19 N -0.75 1.54 -0.06 4.02 -7.23 -0.28 -4.99 120.40 112.65 3iu3 s VAL 19 Ca 0.48 -1.67 -0.05 0.00 -1.81 0.00 0.00 61.98 58.93 3iu3 s VAL 19 Cb -0.32 -1.56 0.02 0.00 0.56 0.00 0.00 36.38 35.08 3iu3 s VAL 19 CO 0.40 -0.26 0.15 -0.89 -0.31 0.00 0.00 175.10 174.19 3iu3 s THR 20 N -1.72 -0.01 -0.00 5.32 2.01 -1.26 -1.37 115.64 118.61 3iu3 s THR 20 Ca 0.09 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.15 3iu3 s THR 20 Cb -0.07 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 3iu3 s THR 20 CO 0.04 0.01 -0.10 0.00 -0.69 0.00 0.00 174.62 173.89 3iu3 s MET 21 N 0.28 0.76 -0.05 4.92 0.23 -0.35 -4.86 119.30 120.23 3iu3 s MET 21 Ca -0.02 -0.38 0.01 0.00 -1.03 0.00 0.00 55.69 54.28 3iu3 s MET 21 Cb -0.03 -0.73 -0.03 0.00 -1.53 0.00 0.00 34.83 32.51 3iu3 s MET 21 CO -0.01 0.20 -0.05 0.99 -2.03 0.00 0.00 175.02 174.11 3iu3 s THR 22 N -0.31 3.81 -0.11 3.16 2.01 -0.14 -1.46 115.64 122.60 3iu3 s THR 22 Ca 0.03 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.53 3iu3 s THR 22 Cb -0.04 -2.60 0.01 0.00 0.01 0.00 0.00 72.50 69.88 3iu3 s THR 22 CO -0.00 0.53 -0.20 0.00 -0.69 0.00 0.00 174.62 174.26 3iu3 s SER 24 N 0.72 3.44 0.12 0.00 0.15 0.86 -1.50 113.70 117.48 3iu3 s SER 24 Ca -0.11 -0.49 -0.00 0.00 0.70 0.00 0.00 55.95 56.05 3iu3 s SER 24 Cb -0.16 -1.50 -0.04 0.00 -1.71 0.00 0.00 66.02 62.61 3iu3 s SER 24 CO 0.02 0.13 0.29 0.00 1.20 0.00 0.00 173.24 174.88 3iu3 s ALA 25 N 0.53 3.93 0.20 5.45 0.00 0.46 -1.15 121.76 131.18 3iu3 s ALA 25 Ca -0.12 -0.84 0.11 0.00 0.00 0.00 0.00 51.96 51.11 3iu3 s ALA 25 Cb -0.16 -1.90 0.25 0.00 0.00 0.00 0.00 23.12 21.31 3iu3 s ALA 25 CO 0.04 0.66 1.54 0.66 0.00 0.00 0.00 175.76 178.66 3iu3 h SER 26 N 2.60 0.00 -2.23 0.00 4.64 -1.59 -3.46 113.55 113.50 3iu3 h SER 26 Ca -0.47 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.28 3iu3 h SER 26 Cb 1.18 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.13 3iu3 h SER 26 CO 0.72 0.67 -0.57 -0.44 -0.87 0.00 0.00 176.83 176.34 3iu3 s SER 27 N -6.73 3.20 0.32 4.97 0.01 -1.26 -4.99 113.70 109.21 3iu3 s SER 27 Ca -0.00 -1.49 -0.28 0.00 1.31 0.00 0.00 55.95 55.48 3iu3 s SER 27 Cb 0.11 0.08 -0.10 0.00 0.21 0.00 0.00 66.02 66.32 3iu3 s SER 27 CO 0.76 -0.68 1.18 -0.55 0.41 0.00 0.00 173.24 174.37 3iu3 s SER 28 N -3.65 6.95 0.01 2.44 0.15 -1.26 -4.47 113.70 113.88 3iu3 s SER 28 Ca 0.27 2.43 0.00 0.00 0.70 0.00 0.00 55.95 59.35 3iu3 s SER 28 Cb 0.06 -2.63 -0.01 0.00 -1.71 0.00 0.00 66.02 61.73 3iu3 s SER 28 CO 0.13 -0.38 -0.02 -0.60 1.20 0.00 0.00 173.24 173.57 3iu3 s ARG 29 N -1.74 0.21 -0.04 5.44 6.06 0.31 -4.98 118.95 124.21 3iu3 s ARG 29 Ca 0.48 -0.33 -0.22 0.00 -2.50 0.00 0.00 55.73 53.17 3iu3 s ARG 29 Cb -0.34 -0.01 -0.29 0.00 0.06 0.00 0.00 34.95 34.36 3iu3 s ARG 29 CO 0.45 -0.01 0.95 0.77 -2.50 0.00 0.00 175.30 174.96 3iu3 h SER 30 N 5.39 0.47 -4.77 -2.12 0.02 -1.97 -3.19 113.55 107.38 3iu3 h SER 30 Ca -0.29 -0.90 -0.21 0.00 -0.84 0.00 0.00 61.79 59.55 3iu3 h SER 30 Cb 1.21 -0.15 -0.17 0.00 0.14 0.00 0.00 62.40 63.43 3iu3 h SER 30 CO 0.46 1.33 -0.70 -0.31 -1.14 0.00 0.00 176.83 176.47 3iu3 s TYR 31 N -2.65 0.74 -0.01 3.45 2.02 -1.26 -4.85 117.35 114.79 3iu3 s TYR 31 Ca -0.14 -0.84 0.07 0.00 -0.37 0.00 0.00 57.07 55.80 3iu3 s TYR 31 Cb 0.01 -0.45 -0.02 0.00 -0.40 0.00 0.00 41.96 41.10 3iu3 s TYR 31 CO 0.82 -0.18 -0.24 1.41 -1.57 0.00 0.00 175.55 175.80 3iu3 s MET 32 N -3.25 1.89 0.05 -0.62 1.75 -1.26 -4.76 119.30 113.10 3iu3 s MET 32 Ca 0.05 -0.88 0.04 0.00 -1.25 0.00 0.00 55.69 53.66 3iu3 s MET 32 Cb 0.02 -1.86 -0.04 0.00 2.84 0.00 0.00 34.83 35.79 3iu3 s MET 32 CO -0.04 0.51 -0.05 -0.65 -0.65 0.00 0.00 175.02 174.13 3iu3 s GLN 33 N -0.65 2.47 -0.02 4.11 1.11 0.42 -0.93 119.66 126.18 3iu3 s GLN 33 Ca 0.09 -0.82 0.05 0.00 0.01 0.00 0.00 55.36 54.69 3iu3 s GLN 33 Cb -0.09 -2.48 -0.01 0.00 -1.01 0.00 0.00 33.01 29.41 3iu3 s GLN 33 CO -0.01 0.56 -0.16 -1.58 0.01 0.00 0.00 175.29 174.11 3iu3 s TRP 34 N -1.15 1.48 -0.05 0.91 0.52 0.63 -0.10 118.94 121.18 3iu3 s TRP 34 Ca 0.21 -0.29 0.04 0.00 0.02 0.00 0.00 56.10 56.08 3iu3 s TRP 34 Cb -0.11 -0.96 -0.00 0.00 -1.15 0.00 0.00 33.47 31.25 3iu3 s TRP 34 CO 0.13 -0.04 -0.17 0.71 0.02 0.00 0.00 176.95 177.59 3iu3 s TYR 35 N -0.34 1.76 0.06 -1.98 1.51 0.37 -1.59 117.35 117.13 3iu3 s TYR 35 Ca 0.05 -0.52 -0.10 0.00 -1.01 0.00 0.00 57.07 55.49 3iu3 s TYR 35 Cb -0.07 -1.19 -0.06 0.00 -0.11 0.00 0.00 41.96 40.54 3iu3 s TYR 35 CO -0.00 -0.19 0.39 -1.14 -1.11 0.00 0.00 175.55 173.50 3iu3 s GLN 36 N 0.08 3.76 -0.03 -0.62 0.74 -0.20 -0.71 119.66 122.67 3iu3 s GLN 36 Ca -0.05 0.18 -0.01 0.00 0.05 0.00 0.00 55.36 55.52 3iu3 s GLN 36 Cb -0.12 -3.03 0.02 0.00 1.10 0.00 0.00 33.01 30.98 3iu3 s GLN 36 CO 0.03 0.58 0.06 -1.14 -0.55 0.00 0.00 175.29 174.27 3iu3 s GLN 37 N -1.80 0.03 0.02 1.67 0.74 0.05 -0.17 119.66 120.20 3iu3 s GLN 37 Ca 0.31 0.18 0.08 0.00 0.05 0.00 0.00 55.36 55.98 3iu3 s GLN 37 Cb -0.14 -0.12 -0.03 0.00 1.10 0.00 0.00 33.01 33.82 3iu3 s GLN 37 CO 0.17 -0.10 -0.22 0.15 -0.55 0.00 0.00 175.29 174.74 3iu3 s LYS 38 N 0.68 2.03 0.17 1.67 1.02 -1.26 -0.96 119.74 123.09 3iu3 s LYS 38 Ca -0.05 -0.99 -0.33 0.00 0.02 0.00 0.00 55.97 54.62 3iu3 s LYS 38 Cb -0.08 -2.10 -0.15 0.00 -0.52 0.00 0.00 37.83 34.98 3iu3 s LYS 38 CO -0.02 0.54 1.35 -2.30 -0.92 0.00 0.00 175.35 174.00 3iu3 n PRO 39 N 1.89 1.58 0.00 -1.68 -0.02 -1.26 -1.41 135.00 134.11 3iu3 n PRO 39 Ca -0.17 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3iu3 n PRO 39 Cb 0.52 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3iu3 n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iu3 n GLY 40 N 2.43 3.16 3.81 -1.23 0.00 -1.26 -5.04 105.19 107.06 3iu3 n GLY 40 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 3iu3 n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iu3 s THR 41 N -2.46 3.72 0.74 2.61 -4.23 -0.50 -5.13 115.64 110.39 3iu3 s THR 41 Ca 0.00 -1.47 -0.11 0.00 -1.18 0.00 0.00 61.69 58.93 3iu3 s THR 41 Cb 0.00 -3.19 0.04 0.00 1.34 0.00 0.00 72.50 70.69 3iu3 s THR 41 CO 0.00 -0.24 1.11 -0.94 -0.54 0.00 0.00 174.62 174.01 3iu3 s SER 42 N -3.91 5.08 0.96 3.99 1.04 -1.26 -4.58 113.70 115.02 3iu3 s SER 42 Ca 0.37 0.95 -0.10 0.00 0.48 0.00 0.00 55.95 57.64 3iu3 s SER 42 Cb -0.06 -1.64 0.17 0.00 0.10 0.00 0.00 66.02 64.59 3iu3 s SER 42 CO 0.25 -1.54 1.12 -2.65 0.98 0.00 0.00 173.24 171.39 3iu3 n PRO 43 N -3.09 -0.77 -3.64 4.02 -0.02 -1.26 -4.63 135.00 125.61 3iu3 n PRO 43 Ca 0.07 -0.16 -0.17 0.00 -2.02 0.00 0.00 63.50 61.22 3iu3 n PRO 43 Cb 0.59 -2.34 -0.15 0.00 -0.02 0.00 0.00 33.50 31.58 3iu3 n PRO 43 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3iu3 s LYS 44 N -4.59 0.07 0.27 -0.52 2.20 0.76 -4.95 119.74 112.98 3iu3 s LYS 44 Ca 0.67 0.51 -0.29 0.00 -0.36 0.00 0.00 55.97 56.51 3iu3 s LYS 44 Cb -0.23 -0.43 -0.14 0.00 -1.51 0.00 0.00 37.83 35.51 3iu3 s LYS 44 CO 0.59 -0.37 1.05 2.89 -0.36 0.00 0.00 175.35 179.16 3iu3 n ARG 45 N 5.33 1.36 0.02 4.03 0.00 -1.26 -1.04 116.66 125.10 3iu3 n ARG 45 Ca -0.05 0.48 0.00 0.00 -0.00 0.00 0.00 57.85 58.28 3iu3 n ARG 45 Cb 0.50 -1.88 0.00 0.00 -0.00 0.00 0.00 32.46 31.08 3iu3 n ARG 45 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.63 179.50 3iu3 n TRP 46 N 0.47 -0.34 -4.15 2.89 -0.00 -0.62 -4.78 117.44 110.91 3iu3 n TRP 46 Ca 0.10 0.06 -0.17 0.00 -0.00 0.00 0.00 57.50 57.50 3iu3 n TRP 46 Cb 0.31 0.42 -0.15 0.00 -0.00 0.00 0.00 31.31 31.89 3iu3 n TRP 46 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 3iu3 s ILE 47 N -2.00 0.42 0.20 5.87 1.01 -0.80 -2.38 121.20 123.52 3iu3 s ILE 47 Ca 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.48 3iu3 s ILE 47 Cb 0.00 -0.40 -0.05 0.00 0.01 0.00 0.00 42.46 42.03 3iu3 s ILE 47 CO 0.00 0.15 0.06 -0.72 0.00 0.00 0.00 174.94 174.43 3iu3 s TYR 48 N 0.22 1.24 -1.45 3.97 -0.85 -0.50 -0.27 117.35 119.71 3iu3 s TYR 48 Ca -0.02 -1.17 -0.08 0.00 -0.52 0.00 0.00 57.07 55.27 3iu3 s TYR 48 Cb -0.06 -0.70 0.01 0.00 0.38 0.00 0.00 41.96 41.59 3iu3 s TYR 48 CO -0.00 -0.38 0.16 -0.25 -1.52 0.00 0.00 175.55 173.55 3iu3 n ASP 49 N -0.29 -0.21 0.00 -0.18 8.00 -1.24 -1.69 116.55 120.94 3iu3 n ASP 49 Ca -0.03 -1.27 0.00 0.00 0.71 0.00 0.00 54.79 54.20 3iu3 n ASP 49 Cb 0.65 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 3iu3 n ASP 49 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3iu3 n THR 50 N -4.66 0.00 0.00 -3.53 -1.04 -0.11 -3.76 114.28 101.18 3iu3 n THR 50 Ca -0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 3iu3 n THR 50 Cb 0.66 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.17 3iu3 n THR 50 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3iu3 n SER 51 N 0.97 1.44 -4.72 8.00 3.41 -1.20 -3.65 113.62 117.87 3iu3 n SER 51 Ca 0.00 -0.29 -0.42 0.00 -0.26 0.00 0.00 58.87 57.91 3iu3 n SER 51 Cb 0.00 0.86 -0.03 0.00 -0.26 0.00 0.00 64.21 64.78 3iu3 n SER 51 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3iu3 s LYS 52 N -1.14 4.48 0.05 4.33 1.02 -0.68 -4.37 119.74 123.41 3iu3 s LYS 52 Ca 0.00 1.70 -0.21 0.00 0.02 0.00 0.00 55.97 57.48 3iu3 s LYS 52 Cb 0.00 -3.36 -0.06 0.00 -0.52 0.00 0.00 37.83 33.89 3iu3 s LYS 52 CO 0.00 -0.17 0.64 -0.51 -0.92 0.00 0.00 175.35 174.38 3iu3 s LEU 53 N 0.85 4.48 0.99 3.17 1.43 -1.26 -1.41 118.68 126.92 3iu3 s LEU 53 Ca 0.56 1.30 -0.12 0.00 -1.03 0.00 0.00 54.13 54.84 3iu3 s LEU 53 Cb -0.28 -3.01 0.18 0.00 0.03 0.00 0.00 46.19 43.11 3iu3 s LEU 53 CO 0.30 0.15 1.10 0.00 0.23 0.00 0.00 176.35 178.13 3iu3 s ALA 54 N -0.55 1.07 0.31 4.21 0.00 -1.00 -4.94 121.76 120.85 3iu3 s ALA 54 Ca 0.32 -0.37 -0.29 0.00 0.00 0.00 0.00 51.96 51.61 3iu3 s ALA 54 Cb -0.20 -3.11 -0.12 0.00 0.00 0.00 0.00 23.12 19.69 3iu3 s ALA 54 CO 0.20 -2.76 1.41 0.43 0.00 0.00 0.00 175.76 175.04 3iu3 n SER 55 N -4.12 3.12 0.00 0.00 7.64 -1.26 -2.77 113.62 116.23 3iu3 n SER 55 Ca 0.05 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.11 3iu3 n SER 55 Cb 0.57 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 3iu3 n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iu3 n GLY 56 N 1.39 1.70 3.70 0.23 0.00 -1.26 -4.99 105.19 105.96 3iu3 n GLY 56 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3iu3 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iu3 s VAL 57 N -3.06 4.07 0.79 1.61 1.01 -1.11 -5.00 120.40 118.70 3iu3 s VAL 57 Ca 0.00 1.45 -0.14 0.00 0.00 0.00 0.00 61.98 63.29 3iu3 s VAL 57 Cb 0.00 -3.93 0.06 0.00 0.00 0.00 0.00 36.38 32.51 3iu3 s VAL 57 CO 0.00 0.05 1.14 -2.65 0.00 0.00 0.00 175.10 173.64 3iu3 n PRO 58 N 4.65 0.29 0.26 2.72 -0.02 -1.26 -4.91 135.00 136.73 3iu3 n PRO 58 Ca 0.10 0.17 0.14 0.00 -2.02 0.00 0.00 63.50 61.89 3iu3 n PRO 58 Cb 0.46 -2.39 0.67 0.00 -0.02 0.00 0.00 33.50 32.22 3iu3 n PRO 58 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iu3 h ALA 59 N -0.71 1.10 0.00 3.55 0.00 -2.00 -2.98 119.26 118.22 3iu3 h ALA 59 Ca -0.47 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3iu3 h ALA 59 Cb 1.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3iu3 h ALA 59 CO 0.46 0.15 0.00 0.07 0.00 0.00 0.00 179.25 179.93 3iu3 h ARG 60 N 0.00 0.00 -6.61 0.00 0.11 -1.96 -3.42 114.38 102.49 3iu3 h ARG 60 Ca -0.00 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.57 3iu3 h ARG 60 Cb 0.49 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.54 3iu3 h ARG 60 CO 0.02 0.00 0.18 -0.06 0.10 0.00 0.00 179.97 180.21 3iu3 s PHE 61 N -3.43 3.75 0.13 4.08 0.08 -1.13 -1.41 117.98 120.05 3iu3 s PHE 61 Ca 0.04 1.56 -0.12 0.00 0.12 0.00 0.00 56.93 58.52 3iu3 s PHE 61 Cb 0.09 -2.73 0.01 0.00 -0.57 0.00 0.00 43.02 39.82 3iu3 s PHE 61 CO 0.47 0.38 0.32 -1.54 -0.10 0.00 0.00 175.22 174.75 3iu3 s SER 62 N -1.46 -0.06 0.01 1.36 1.04 -0.57 -4.99 113.70 109.02 3iu3 s SER 62 Ca 0.42 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 56.31 3iu3 s SER 62 Cb -0.19 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 3iu3 s SER 62 CO 0.23 -0.84 -0.04 -0.83 0.98 0.00 0.00 173.24 172.74 3iu3 s GLY 63 N -2.86 0.24 0.23 7.32 0.00 -1.26 -0.46 107.32 110.53 3iu3 s GLY 63 Ca 0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 44.72 44.47 3iu3 s GLY 63 CO -0.08 -0.30 0.31 -1.14 0.00 0.00 0.00 173.10 171.88 3iu3 n SER 64 N 2.58 -0.87 0.00 1.64 3.41 -0.48 -3.97 113.62 115.93 3iu3 n SER 64 Ca -0.15 -2.23 0.00 0.00 -0.26 0.00 0.00 58.87 56.23 3iu3 n SER 64 Cb 0.58 1.62 0.00 0.00 -0.26 0.00 0.00 64.21 66.15 3iu3 n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iu3 n GLY 65 N -0.37 2.30 3.47 5.00 0.00 -1.26 -0.50 105.19 113.82 3iu3 n GLY 65 Ca 0.01 -2.11 -0.10 0.00 0.00 0.00 0.00 46.02 43.82 3iu3 n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iu3 s SER 66 N 0.00 -0.45 0.00 1.61 1.04 -0.12 -4.93 113.70 110.84 3iu3 s SER 66 Ca 0.00 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.44 3iu3 s SER 66 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3iu3 s SER 66 CO 0.00 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.07 3iu3 n GLY 67 N -0.28 0.22 0.00 7.32 0.00 -1.21 -2.20 105.19 109.05 3iu3 n GLY 67 Ca -0.12 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.64 3iu3 n GLY 67 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3iu3 n THR 68 N 0.00 0.00 -5.10 2.61 -1.04 -1.26 0.11 114.28 109.60 3iu3 n THR 68 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 3iu3 n THR 68 Cb 0.00 0.11 -0.16 0.00 -1.82 0.00 0.00 70.33 68.46 3iu3 n THR 68 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3iu3 s SER 69 N -1.82 3.37 0.08 8.00 0.15 -0.93 -0.41 113.70 122.14 3iu3 s SER 69 Ca 0.00 -0.48 -0.00 0.00 0.70 0.00 0.00 55.95 56.17 3iu3 s SER 69 Cb 0.00 -1.34 -0.04 0.00 -1.71 0.00 0.00 66.02 62.93 3iu3 s SER 69 CO 0.00 0.18 -0.01 -0.31 1.20 0.00 0.00 173.24 174.30 3iu3 s TYR 70 N 0.21 0.69 -0.06 3.44 1.51 -0.56 -0.95 117.35 121.63 3iu3 s TYR 70 Ca -0.13 -1.08 -0.18 0.00 -1.01 0.00 0.00 57.07 54.66 3iu3 s TYR 70 Cb -0.16 -0.45 0.04 0.00 -0.11 0.00 0.00 41.96 41.28 3iu3 s TYR 70 CO 0.07 -0.37 0.42 -1.54 -1.11 0.00 0.00 175.55 173.02 3iu3 s SER 71 N -2.98 -0.36 -0.11 2.29 1.04 0.34 -0.90 113.70 113.01 3iu3 s SER 71 Ca 0.13 0.44 -0.01 0.00 0.48 0.00 0.00 55.95 56.99 3iu3 s SER 71 Cb 0.07 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.70 3iu3 s SER 71 CO -0.06 -0.40 -0.08 -0.22 0.98 0.00 0.00 173.24 173.46 3iu3 s LEU 72 N -0.86 3.02 0.07 2.42 0.20 -0.53 -1.38 118.68 121.61 3iu3 s LEU 72 Ca -0.09 -0.16 0.08 0.00 0.69 0.00 0.00 54.13 54.65 3iu3 s LEU 72 Cb -0.04 -1.68 -0.03 0.00 -0.43 0.00 0.00 46.19 44.01 3iu3 s LEU 72 CO 0.04 0.24 -0.23 -0.89 -0.29 0.00 0.00 176.35 175.23 3iu3 s THR 73 N -0.09 1.85 -0.15 3.68 2.01 0.40 -1.21 115.64 122.12 3iu3 s THR 73 Ca 0.00 -1.42 0.01 0.00 0.31 0.00 0.00 61.69 60.60 3iu3 s THR 73 Cb -0.13 -1.63 0.02 0.00 0.01 0.00 0.00 72.50 70.77 3iu3 s THR 73 CO 0.03 0.14 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.30 3iu3 s ILE 74 N -0.95 1.75 0.20 1.82 1.01 -0.47 -1.51 121.20 123.05 3iu3 s ILE 74 Ca 0.09 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 59.94 3iu3 s ILE 74 Cb -0.10 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 3iu3 s ILE 74 CO 0.03 0.49 1.54 0.77 0.00 0.00 0.00 174.94 177.77 3iu3 h SER 75 N 7.79 0.64 -3.13 3.58 4.64 -1.51 -0.72 113.55 124.84 3iu3 h SER 75 Ca -0.38 -0.31 -0.35 0.00 -0.47 0.00 0.00 61.79 60.28 3iu3 h SER 75 Cb 1.15 -0.18 -0.38 0.00 -0.31 0.00 0.00 62.40 62.68 3iu3 h SER 75 CO 0.55 1.02 -0.69 -0.44 -0.87 0.00 0.00 176.83 176.39 3iu3 s SER 76 N -6.89 1.18 0.19 4.97 0.01 -1.26 -3.75 113.70 108.16 3iu3 s SER 76 Ca -0.08 0.06 -0.31 0.00 1.31 0.00 0.00 55.95 56.94 3iu3 s SER 76 Cb 0.12 0.04 -0.09 0.00 0.21 0.00 0.00 66.02 66.30 3iu3 s SER 76 CO 0.84 -0.27 1.41 -0.32 0.41 0.00 0.00 173.24 175.31 3iu3 s MET 77 N 2.22 4.30 0.03 12.44 1.75 -0.54 -4.74 119.30 134.77 3iu3 s MET 77 Ca 0.04 2.19 0.03 0.00 -1.25 0.00 0.00 55.69 56.70 3iu3 s MET 77 Cb -0.13 -3.17 -0.02 0.00 2.84 0.00 0.00 34.83 34.35 3iu3 s MET 77 CO -0.06 -0.41 -0.10 -1.21 -0.65 0.00 0.00 175.02 172.59 3iu3 s GLU 78 N 0.28 0.71 0.38 4.11 2.02 -1.26 -1.02 118.70 123.92 3iu3 s GLU 78 Ca 0.62 -0.64 0.20 0.00 0.02 0.00 0.00 54.97 55.17 3iu3 s GLU 78 Cb -0.40 -0.64 1.22 0.00 0.10 0.00 0.00 34.13 34.41 3iu3 s GLU 78 CO 0.37 0.16 1.65 0.00 0.02 0.00 0.00 175.26 177.45 3iu3 h ALA 79 N 5.04 2.22 0.00 5.21 0.00 -1.99 0.27 119.26 130.01 3iu3 h ALA 79 Ca -0.35 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3iu3 h ALA 79 Cb 1.19 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3iu3 h ALA 79 CO 0.44 -0.85 0.00 -0.85 0.00 0.00 0.00 179.25 178.00 3iu3 n GLU 80 N -4.94 0.68 0.00 0.00 0.28 -1.26 -2.65 120.64 112.74 3iu3 n GLU 80 Ca 0.33 0.02 0.13 0.00 -0.16 0.00 0.00 57.16 57.48 3iu3 n GLU 80 Cb 1.14 -1.50 0.42 0.00 1.43 0.00 0.00 31.44 32.93 3iu3 n GLU 80 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3iu3 n ASP 81 N -1.10 0.32 -4.56 -1.84 8.00 0.94 -4.77 116.55 113.55 3iu3 n ASP 81 Ca 0.17 -0.01 -0.22 0.00 0.71 0.00 0.00 54.79 55.44 3iu3 n ASP 81 Cb 0.13 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.11 3iu3 n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iu3 s ALA 82 N -2.94 1.11 0.33 2.24 0.00 -1.09 -4.84 121.76 116.58 3iu3 s ALA 82 Ca 0.14 -0.67 -0.07 0.00 0.00 0.00 0.00 51.96 51.35 3iu3 s ALA 82 Cb 0.18 -4.50 0.01 0.00 0.00 0.00 0.00 23.12 18.81 3iu3 s ALA 82 CO 0.61 -5.33 0.54 0.00 0.00 0.00 0.00 175.76 171.59 3iu3 s ALA 83 N 13.31 0.24 -0.19 0.00 0.00 -1.09 -4.93 121.76 129.09 3iu3 s ALA 83 Ca 0.90 -1.22 -0.07 0.00 0.00 0.00 0.00 51.96 51.56 3iu3 s ALA 83 Cb -0.13 1.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 3iu3 s ALA 83 CO 0.12 -0.85 0.05 0.99 0.00 0.00 0.00 175.76 176.07 3iu3 s THR 84 N -3.10 4.57 -0.12 0.00 2.01 -0.13 -0.45 115.64 118.41 3iu3 s THR 84 Ca 0.26 -0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.12 3iu3 s THR 84 Cb -0.01 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 3iu3 s THR 84 CO 0.16 0.44 -0.00 -0.31 -0.69 0.00 0.00 174.62 174.22 3iu3 s TYR 85 N 0.61 3.13 -0.10 4.92 2.02 0.08 -0.77 117.35 127.23 3iu3 s TYR 85 Ca 0.02 0.02 0.04 0.00 -0.37 0.00 0.00 57.07 56.78 3iu3 s TYR 85 Cb -0.13 -1.88 -0.00 0.00 -0.40 0.00 0.00 41.96 39.54 3iu3 s TYR 85 CO 0.02 0.26 -0.24 0.71 -1.57 0.00 0.00 175.55 174.73 3iu3 s TYR 86 N -0.30 2.52 0.39 2.71 2.02 0.11 -1.07 117.35 123.74 3iu3 s TYR 86 Ca 0.06 -1.02 -0.12 0.00 -0.37 0.00 0.00 57.07 55.62 3iu3 s TYR 86 Cb -0.12 -1.69 -0.07 0.00 -0.40 0.00 0.00 41.96 39.68 3iu3 s TYR 86 CO 0.02 -0.40 0.78 0.00 -1.57 0.00 0.00 175.55 174.38 3iu3 s HIS 88 N -2.29 -0.27 0.02 0.00 2.46 0.86 -0.88 115.29 115.19 3iu3 s HIS 88 Ca 0.53 0.36 0.00 0.00 0.47 0.00 0.00 55.06 56.42 3iu3 s HIS 88 Cb -0.10 0.17 -0.02 0.00 -0.13 0.00 0.00 32.58 32.50 3iu3 s HIS 88 CO 0.27 -0.48 -0.03 1.14 -2.47 0.00 0.00 174.74 173.17 3iu3 s GLN 89 N -1.69 0.30 -0.63 2.88 1.03 -1.21 -0.44 119.66 119.89 3iu3 s GLN 89 Ca -0.10 -0.53 -0.01 0.00 0.04 0.00 0.00 55.36 54.75 3iu3 s GLN 89 Cb -0.03 0.03 0.46 0.00 0.03 0.00 0.00 33.01 33.50 3iu3 s GLN 89 CO 0.03 -0.03 1.96 2.89 -2.54 0.00 0.00 175.29 177.61 3iu3 n ARG 90 N 1.82 2.76 -0.01 9.60 1.85 -1.26 -1.82 116.66 129.60 3iu3 n ARG 90 Ca -0.22 -3.36 -0.02 0.00 -1.00 0.00 0.00 57.85 53.26 3iu3 n ARG 90 Cb 0.56 -2.29 -0.01 0.00 -1.05 0.00 0.00 32.46 29.67 3iu3 n ARG 90 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3iu3 n SER 91 N -0.91 3.94 -0.00 2.89 7.64 -1.26 -4.77 113.62 121.16 3iu3 n SER 91 Ca 0.61 -0.01 0.02 0.00 1.01 0.00 0.00 58.87 60.50 3iu3 n SER 91 Cb 0.71 0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.96 3iu3 n SER 91 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3iu3 n SER 92 N -2.47 1.49 -1.09 6.43 7.64 -1.26 -5.00 113.62 119.36 3iu3 n SER 92 Ca -0.04 -0.39 -0.14 0.00 1.01 0.00 0.00 58.87 59.30 3iu3 n SER 92 Cb 0.55 1.06 -0.06 0.00 -1.01 0.00 0.00 64.21 64.76 3iu3 n SER 92 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3iu3 n TYR 93 N -1.28 -0.02 -1.66 1.43 4.02 -0.76 -5.00 117.16 113.90 3iu3 n TYR 93 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.58 3iu3 n TYR 93 Cb 0.08 -2.51 0.05 0.00 -0.02 0.00 0.00 39.34 36.93 3iu3 n TYR 93 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3iu3 s THR 94 N -2.52 4.00 0.13 -0.72 -1.32 -1.25 -4.84 115.64 109.12 3iu3 s THR 94 Ca 0.00 0.65 0.09 0.00 -1.21 0.00 0.00 61.69 61.22 3iu3 s THR 94 Cb 0.00 -3.47 -0.04 0.00 -1.51 0.00 0.00 72.50 67.48 3iu3 s THR 94 CO 0.00 -0.85 -0.16 -0.36 -2.21 0.00 0.00 174.62 171.04 3iu3 s PHE 95 N -3.12 2.56 1.03 9.09 0.40 -1.26 -3.34 117.98 123.33 3iu3 s PHE 95 Ca 0.58 -0.25 -0.15 0.00 -0.60 0.00 0.00 56.93 56.51 3iu3 s PHE 95 Cb -0.13 -1.33 0.20 0.00 0.51 0.00 0.00 43.02 42.28 3iu3 s PHE 95 CO 0.54 0.42 1.14 0.20 0.70 0.00 0.00 175.22 178.23 3iu3 s GLY 96 N -2.33 1.60 0.38 4.36 0.00 -0.06 -4.43 107.32 106.84 3iu3 s GLY 96 Ca 0.20 -0.71 0.19 0.00 0.00 0.00 0.00 44.72 44.40 3iu3 s GLY 96 CO 0.11 -0.01 1.77 -1.33 0.00 0.00 0.00 173.10 173.64 3iu3 h GLY 97 N -1.94 0.00 -0.24 0.20 0.00 -1.90 -3.44 103.07 95.76 3iu3 h GLY 97 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3iu3 h GLY 97 CO 0.50 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.65 3iu3 n GLY 98 N 0.09 -0.04 3.64 4.60 0.00 -1.26 -5.02 105.19 107.21 3iu3 n GLY 98 Ca -0.01 -1.11 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 3iu3 n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iu3 s THR 99 N -0.05 5.12 -0.20 2.61 2.01 -0.23 -4.70 115.64 120.20 3iu3 s THR 99 Ca 0.00 0.84 -0.21 0.00 0.31 0.00 0.00 61.69 62.63 3iu3 s THR 99 Cb 0.00 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 3iu3 s THR 99 CO 0.00 0.16 0.64 -0.75 -0.69 0.00 0.00 174.62 173.98 3iu3 s LYS 100 N 1.81 4.20 -0.25 4.92 2.20 0.39 -0.74 119.74 132.27 3iu3 s LYS 100 Ca 0.21 0.63 -0.08 0.00 -0.36 0.00 0.00 55.97 56.37 3iu3 s LYS 100 Cb -0.15 -3.59 -0.03 0.00 -1.51 0.00 0.00 37.83 32.55 3iu3 s LYS 100 CO 0.09 -0.27 0.10 -1.17 -0.36 0.00 0.00 175.35 173.74 3iu3 s LEU 101 N 2.00 3.61 0.46 5.43 2.96 0.40 -1.46 118.68 132.07 3iu3 s LEU 101 Ca 0.29 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 54.11 3iu3 s LEU 101 Cb -0.16 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 3iu3 s LEU 101 CO 0.10 -0.02 0.01 -1.61 -1.32 0.00 0.00 176.35 173.52 3iu3 s GLU 102 N 1.51 2.07 -0.34 1.98 2.02 0.58 -2.68 118.70 123.83 3iu3 s GLU 102 Ca 0.06 -2.25 -0.16 0.00 0.02 0.00 0.00 54.97 52.65 3iu3 s GLU 102 Cb -0.15 -1.55 -0.01 0.00 0.10 0.00 0.00 34.13 32.52 3iu3 s GLU 102 CO 0.05 -0.21 0.38 0.42 0.02 0.00 0.00 175.26 175.92 3iu3 s ILE 103 N -2.81 5.15 0.20 -1.63 -1.09 -1.26 -2.05 121.20 117.71 3iu3 s ILE 103 Ca 0.21 0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 58.41 3iu3 s ILE 103 Cb 0.06 -3.84 -0.08 0.00 -1.58 0.00 0.00 42.46 37.01 3iu3 s ILE 103 CO 0.11 -0.11 1.21 -0.75 -1.23 0.00 0.00 174.94 174.16 3iu3 s LYS 104 N 2.07 4.49 0.36 2.79 2.20 0.14 -4.77 119.74 127.01 3iu3 s LYS 104 Ca 0.13 1.91 0.04 0.00 -0.36 0.00 0.00 55.97 57.68 3iu3 s LYS 104 Cb -0.16 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 32.90 3iu3 s LYS 104 CO 0.12 -0.09 0.15 0.50 -0.36 0.00 0.00 175.35 175.67 3iu3 s ARG 105 N -0.40 1.77 0.63 4.03 3.52 -1.26 -4.29 118.95 122.94 3iu3 s ARG 105 Ca 0.52 -2.04 -0.15 0.00 -0.13 0.00 0.00 55.73 53.94 3iu3 s ARG 105 Cb -0.33 -0.37 -0.02 0.00 -1.56 0.00 0.00 34.95 32.67 3iu3 s ARG 105 CO 0.38 -0.45 1.07 -0.08 -0.81 0.00 0.00 175.30 175.41 3iu3 s THR 106 N -3.38 3.64 0.22 4.11 -1.32 -1.26 -5.00 115.64 112.64 3iu3 s THR 106 Ca 0.31 0.73 -0.30 0.00 -1.21 0.00 0.00 61.69 61.22 3iu3 s THR 106 Cb 0.04 -3.28 -0.09 0.00 -1.51 0.00 0.00 72.50 67.66 3iu3 s THR 106 CO 0.17 -0.50 1.28 -0.69 -2.21 0.00 0.00 174.62 172.67 3iu3 s VAL 107 N -2.51 3.22 -0.04 5.08 1.01 -1.26 -4.75 120.40 121.15 3iu3 s VAL 107 Ca 0.64 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.67 3iu3 s VAL 107 Cb -0.17 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.57 3iu3 s VAL 107 CO 0.41 0.17 -0.04 0.00 0.00 0.00 0.00 175.10 175.65 3iu3 s ALA 108 N -0.12 0.63 0.08 5.51 0.00 -0.73 -4.90 121.76 122.22 3iu3 s ALA 108 Ca 0.55 -0.04 -0.26 0.00 0.00 0.00 0.00 51.96 52.21 3iu3 s ALA 108 Cb -0.36 -0.44 -0.06 0.00 0.00 0.00 0.00 23.12 22.26 3iu3 s ALA 108 CO 0.40 -0.06 0.82 0.00 0.00 0.00 0.00 175.76 176.92 3iu3 s ALA 109 N 1.01 3.34 0.49 0.00 0.00 -1.26 -0.84 121.76 124.51 3iu3 s ALA 109 Ca -0.10 0.37 -0.22 0.00 0.00 0.00 0.00 51.96 52.02 3iu3 s ALA 109 Cb -0.14 -3.07 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 3iu3 s ALA 109 CO -0.01 0.06 1.17 -1.25 0.00 0.00 0.00 175.76 175.73 3iu3 s PRO 110 N -0.16 3.59 0.01 0.00 0.04 -1.26 -4.69 135.00 132.53 3iu3 s PRO 110 Ca 0.40 1.76 -0.20 0.00 0.04 0.00 0.00 61.00 63.00 3iu3 s PRO 110 Cb -0.22 -2.27 -0.06 0.00 0.04 0.00 0.00 34.50 32.00 3iu3 s PRO 110 CO 0.25 -0.69 0.59 -1.12 0.04 0.00 0.00 177.00 176.07 3iu3 s SER 111 N -1.46 6.99 -0.21 6.66 0.01 -0.84 -4.86 113.70 120.00 3iu3 s SER 111 Ca 0.67 1.18 -0.04 0.00 1.31 0.00 0.00 55.95 59.07 3iu3 s SER 111 Cb -0.28 -2.36 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 3iu3 s SER 111 CO 0.33 0.14 -0.03 -0.69 0.41 0.00 0.00 173.24 173.41 3iu3 s VAL 112 N -0.39 3.62 0.05 3.43 1.01 -1.26 -1.22 120.40 125.64 3iu3 s VAL 112 Ca 0.30 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.94 3iu3 s VAL 112 Cb -0.18 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 3iu3 s VAL 112 CO 0.17 0.43 -0.20 -0.36 0.00 0.00 0.00 175.10 175.14 3iu3 s PHE 113 N 1.24 1.75 -0.03 5.22 0.08 -0.30 -4.99 117.98 120.95 3iu3 s PHE 113 Ca 0.03 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.73 3iu3 s PHE 113 Cb -0.14 -1.03 -0.00 0.00 -0.57 0.00 0.00 43.02 41.27 3iu3 s PHE 113 CO -0.00 0.10 -0.12 -1.50 -0.10 0.00 0.00 175.22 173.60 3iu3 s ILE 114 N -0.85 0.98 -0.18 0.64 2.07 -1.26 -0.01 121.20 122.59 3iu3 s ILE 114 Ca 0.07 -0.47 -0.00 0.00 -1.41 0.00 0.00 60.65 58.83 3iu3 s ILE 114 Cb -0.09 -0.85 0.01 0.00 0.13 0.00 0.00 42.46 41.65 3iu3 s ILE 114 CO 0.02 0.29 -0.15 -0.36 -1.91 0.00 0.00 174.94 172.84 3iu3 s PHE 115 N 0.10 2.82 0.67 3.50 0.08 0.52 -5.01 117.98 120.65 3iu3 s PHE 115 Ca -0.02 -1.25 -0.15 0.00 0.12 0.00 0.00 56.93 55.63 3iu3 s PHE 115 Cb -0.09 -1.95 0.01 0.00 -0.57 0.00 0.00 43.02 40.42 3iu3 s PHE 115 CO 0.01 -0.62 1.11 -2.14 -0.10 0.00 0.00 175.22 173.48 3iu3 s PRO 116 N 1.15 2.73 0.26 0.24 0.02 -1.26 -2.41 135.00 135.72 3iu3 s PRO 116 Ca 0.01 1.40 -0.31 0.00 0.02 0.00 0.00 61.00 62.12 3iu3 s PRO 116 Cb -0.14 -1.94 -0.13 0.00 0.02 0.00 0.00 34.50 32.31 3iu3 s PRO 116 CO -0.06 -1.31 1.50 -2.30 -0.33 0.00 0.00 177.00 174.51 3iu3 n PRO 117 N -2.50 2.33 -1.60 5.54 -0.02 -1.25 -4.89 135.00 132.60 3iu3 n PRO 117 Ca 0.10 0.83 -0.33 0.00 -2.02 0.00 0.00 63.50 62.09 3iu3 n PRO 117 Cb 0.52 -2.55 0.06 0.00 -0.02 0.00 0.00 33.50 31.51 3iu3 n PRO 117 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3iu3 s SER 118 N 0.44 4.88 0.18 2.55 1.04 -1.26 -4.92 113.70 116.62 3iu3 s SER 118 Ca 0.67 1.98 -0.08 0.00 0.48 0.00 0.00 55.95 59.00 3iu3 s SER 118 Cb -0.58 -2.55 0.08 0.00 0.10 0.00 0.00 66.02 63.07 3iu3 s SER 118 CO 0.48 -1.78 1.62 0.44 0.98 0.00 0.00 173.24 174.98 3iu3 h ASP 119 N -0.30 1.00 -0.55 7.02 3.32 -2.00 -2.24 116.42 122.69 3iu3 h ASP 119 Ca -0.46 -0.32 0.04 0.00 0.02 0.00 0.00 57.03 56.30 3iu3 h ASP 119 Cb 1.25 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.48 3iu3 h ASP 119 CO 0.53 1.11 0.31 -0.33 -1.72 0.00 0.00 179.24 179.14 3iu3 h GLU 120 N 0.90 0.59 -0.76 3.56 3.07 -1.99 -2.15 114.58 117.80 3iu3 h GLU 120 Ca 0.14 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 3iu3 h GLU 120 Cb 0.65 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.40 3iu3 h GLU 120 CO 0.05 0.39 0.38 0.37 -1.40 0.00 0.00 179.01 178.79 3iu3 h GLN 121 N 0.60 1.08 -0.81 2.33 4.15 -1.81 -2.55 115.11 118.11 3iu3 h GLN 121 Ca 0.23 -0.15 0.07 0.00 0.77 0.00 0.00 58.65 59.57 3iu3 h GLN 121 Cb 0.08 -0.20 -0.06 0.00 0.21 0.00 0.00 27.48 27.51 3iu3 h GLN 121 CO -0.13 0.83 0.49 -0.07 -1.93 0.00 0.00 178.83 178.03 3iu3 h LEU 122 N 1.06 0.75 -0.64 -2.39 3.38 -0.86 -2.29 115.31 114.32 3iu3 h LEU 122 Ca 0.26 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.28 3iu3 h LEU 122 Cb 0.10 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3iu3 h LEU 122 CO -0.04 0.47 0.40 0.11 0.09 0.00 0.00 178.44 179.48 3iu3 h LYS 123 N 0.88 0.78 -0.36 1.13 1.57 -1.00 -2.68 116.57 116.90 3iu3 h LYS 123 Ca 0.36 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.07 3iu3 h LYS 123 Cb 0.21 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3iu3 h LYS 123 CO -0.19 0.51 0.10 0.66 -0.57 0.00 0.00 179.45 179.96 3iu3 h SER 124 N 0.80 0.47 0.00 0.86 4.64 -1.17 -3.47 113.55 115.68 3iu3 h SER 124 Ca 0.25 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3iu3 h SER 124 Cb -0.01 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3iu3 h SER 124 CO -0.09 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 176.95 3iu3 n GLY 125 N -1.11 1.18 3.55 -0.77 0.00 -1.01 -5.10 105.19 101.93 3iu3 n GLY 125 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 3iu3 n GLY 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iu3 s THR 126 N -1.41 2.93 -0.04 2.61 -4.23 -1.19 -0.54 115.64 113.76 3iu3 s THR 126 Ca 0.00 -2.17 -0.00 0.00 -1.18 0.00 0.00 61.69 58.34 3iu3 s THR 126 Cb 0.00 -2.56 0.03 0.00 1.34 0.00 0.00 72.50 71.30 3iu3 s THR 126 CO 0.00 -0.38 -0.00 0.00 -0.54 0.00 0.00 174.62 173.70 3iu3 s ALA 127 N -2.42 0.47 -0.16 3.99 0.00 0.20 -3.52 121.76 120.32 3iu3 s ALA 127 Ca 0.31 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.33 3iu3 s ALA 127 Cb -0.06 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.59 3iu3 s ALA 127 CO 0.17 -0.21 -0.19 -1.12 0.00 0.00 0.00 175.76 174.41 3iu3 s SER 128 N 1.38 3.29 -0.32 0.00 0.01 -1.26 -0.70 113.70 116.10 3iu3 s SER 128 Ca -0.05 -0.58 -0.10 0.00 1.31 0.00 0.00 55.95 56.53 3iu3 s SER 128 Cb -0.13 -1.49 -0.00 0.00 0.21 0.00 0.00 66.02 64.60 3iu3 s SER 128 CO -0.02 0.05 0.17 -0.69 0.41 0.00 0.00 173.24 173.16 3iu3 s VAL 129 N 0.97 4.70 -0.27 3.43 1.01 0.15 -3.86 120.40 126.53 3iu3 s VAL 129 Ca -0.03 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 3iu3 s VAL 129 Cb -0.15 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 3iu3 s VAL 129 CO -0.05 0.02 0.13 -0.69 0.00 0.00 0.00 175.10 174.51 3iu3 s VAL 130 N 1.62 4.75 -0.17 2.92 1.01 -1.01 0.07 120.40 129.59 3iu3 s VAL 130 Ca 0.04 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 3iu3 s VAL 130 Cb -0.17 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 3iu3 s VAL 130 CO 0.07 0.26 0.10 0.00 0.00 0.00 0.00 175.10 175.53 3iu3 s LEU 132 N 0.08 2.42 -0.34 0.00 0.20 0.99 -0.21 118.68 121.83 3iu3 s LEU 132 Ca 0.07 -0.45 -0.02 0.00 0.69 0.00 0.00 54.13 54.42 3iu3 s LEU 132 Cb -0.12 -1.53 0.07 0.00 -0.43 0.00 0.00 46.19 44.18 3iu3 s LEU 132 CO -0.00 0.14 0.07 -0.76 -0.29 0.00 0.00 176.35 175.50 3iu3 s LEU 133 N 0.49 4.35 -0.16 -0.68 1.02 0.14 -1.15 118.68 122.69 3iu3 s LEU 133 Ca -0.12 -1.51 -0.05 0.00 0.02 0.00 0.00 54.13 52.47 3iu3 s LEU 133 Cb -0.16 -1.75 -0.03 0.00 0.02 0.00 0.00 46.19 44.26 3iu3 s LEU 133 CO 0.05 -0.35 0.02 0.21 0.02 0.00 0.00 176.35 176.30 3iu3 s ASN 134 N 1.41 5.28 -0.60 2.29 2.47 -0.36 -0.56 114.94 124.88 3iu3 s ASN 134 Ca -0.00 0.02 -0.13 0.00 0.42 0.00 0.00 52.86 53.16 3iu3 s ASN 134 Cb -0.21 -1.84 0.02 0.00 -1.45 0.00 0.00 41.25 37.77 3iu3 s ASN 134 CO -0.02 0.20 0.64 0.59 -3.72 0.00 0.00 177.10 174.80 3iu3 n ASN 135 N 3.33 -6.88 -4.27 -4.21 5.03 -0.51 -1.98 115.26 105.76 3iu3 n ASN 135 Ca -0.17 -0.05 -0.15 0.00 0.87 0.00 0.00 54.58 55.08 3iu3 n ASN 135 Cb 0.53 -3.98 -0.10 0.00 -1.02 0.00 0.00 39.78 35.20 3iu3 n ASN 135 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 3iu3 s PHE 136 N -2.57 1.37 -0.02 3.10 -0.71 -0.63 -4.40 117.98 114.12 3iu3 s PHE 136 Ca 0.16 -0.70 -0.02 0.00 -1.04 0.00 0.00 56.93 55.33 3iu3 s PHE 136 Cb -0.03 -0.68 0.01 0.00 -1.21 0.00 0.00 43.02 41.11 3iu3 s PHE 136 CO 0.81 0.15 0.06 -0.47 -1.34 0.00 0.00 175.22 174.43 3iu3 s TYR 137 N -3.13 -0.06 0.15 3.49 6.14 -0.02 -0.49 117.35 123.43 3iu3 s TYR 137 Ca 0.17 0.17 -0.02 0.00 0.64 0.00 0.00 57.07 58.03 3iu3 s TYR 137 Cb 0.01 -0.01 0.03 0.00 0.42 0.00 0.00 41.96 42.42 3iu3 s TYR 137 CO 0.02 -0.04 0.20 -0.35 0.64 0.00 0.00 175.55 176.02 3iu3 n PRO 138 N 3.21 0.02 -0.23 4.97 -0.04 -1.26 -1.78 135.00 139.88 3iu3 n PRO 138 Ca -0.14 -0.37 -0.06 0.00 -0.04 0.00 0.00 63.50 62.89 3iu3 n PRO 138 Cb 0.58 -0.19 0.09 0.00 -0.04 0.00 0.00 33.50 33.94 3iu3 n PRO 138 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3iu3 h ARG 139 N 0.00 1.08 -6.17 0.54 2.43 -1.99 -3.44 114.38 106.83 3iu3 h ARG 139 Ca -0.07 -0.24 -0.66 0.00 -0.81 0.00 0.00 59.98 58.21 3iu3 h ARG 139 Cb 0.20 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3iu3 h ARG 139 CO 0.05 0.93 1.12 -1.91 -1.51 0.00 0.00 179.97 178.66 3iu3 n GLU 140 N -4.25 1.66 -3.60 0.20 2.13 -1.26 -4.95 120.64 110.57 3iu3 n GLU 140 Ca 0.05 0.58 -0.16 0.00 0.66 0.00 0.00 57.16 58.30 3iu3 n GLU 140 Cb 0.24 -2.47 -0.07 0.00 0.27 0.00 0.00 31.44 29.41 3iu3 n GLU 140 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3iu3 s ALA 141 N 4.72 -1.58 -0.09 4.31 0.00 -1.26 -4.58 121.76 123.27 3iu3 s ALA 141 Ca 0.98 1.37 0.02 0.00 0.00 0.00 0.00 51.96 54.33 3iu3 s ALA 141 Cb -0.82 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 3iu3 s ALA 141 CO 0.55 -0.33 -0.14 0.21 0.00 0.00 0.00 175.76 176.04 3iu3 s LYS 142 N -0.66 2.94 -0.17 0.00 2.20 0.15 -4.98 119.74 119.22 3iu3 s LYS 142 Ca -0.07 -0.70 -0.01 0.00 -0.36 0.00 0.00 55.97 54.82 3iu3 s LYS 142 Cb -0.02 -2.49 0.05 0.00 -1.51 0.00 0.00 37.83 33.86 3iu3 s LYS 142 CO 0.06 0.41 -0.02 0.08 -0.36 0.00 0.00 175.35 175.52 3iu3 s VAL 143 N -0.16 0.86 0.09 4.02 1.01 -1.26 -0.17 120.40 124.79 3iu3 s VAL 143 Ca -0.01 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.48 3iu3 s VAL 143 Cb -0.13 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3iu3 s VAL 143 CO 0.03 0.02 -0.08 -1.10 0.00 0.00 0.00 175.10 173.98 3iu3 s GLN 144 N 1.73 2.25 -0.14 2.72 -0.21 0.06 -4.92 119.66 121.15 3iu3 s GLN 144 Ca 0.00 -0.96 -0.05 0.00 0.02 0.00 0.00 55.36 54.38 3iu3 s GLN 144 Cb -0.16 -2.37 -0.04 0.00 1.00 0.00 0.00 33.01 31.44 3iu3 s GLN 144 CO -0.07 0.52 0.02 -1.58 -2.12 0.00 0.00 175.29 172.06 3iu3 s TRP 145 N -1.22 3.19 -0.22 0.91 0.52 -1.26 0.39 118.94 121.25 3iu3 s TRP 145 Ca 0.22 0.06 0.01 0.00 0.02 0.00 0.00 56.10 56.40 3iu3 s TRP 145 Cb -0.11 -1.94 0.06 0.00 -1.15 0.00 0.00 33.47 30.32 3iu3 s TRP 145 CO 0.14 0.25 -0.06 0.15 0.02 0.00 0.00 176.95 177.46 3iu3 s LYS 146 N -0.14 1.65 -0.26 4.98 -0.14 -0.75 -0.63 119.74 124.44 3iu3 s LYS 146 Ca 0.05 -0.91 -0.08 0.00 -1.36 0.00 0.00 55.97 53.67 3iu3 s LYS 146 Cb -0.12 -2.50 -0.03 0.00 -1.68 0.00 0.00 37.83 33.49 3iu3 s LYS 146 CO 0.02 -0.56 0.10 0.08 -0.76 0.00 0.00 175.35 174.23 3iu3 s VAL 147 N 1.42 4.57 -1.29 3.17 1.01 -0.49 -1.87 120.40 126.94 3iu3 s VAL 147 Ca -0.04 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.75 3iu3 s VAL 147 Cb -0.18 -3.15 0.08 0.00 0.00 0.00 0.00 36.38 33.12 3iu3 s VAL 147 CO -0.07 0.31 0.49 0.47 0.00 0.00 0.00 175.10 176.31 3iu3 n ASP 148 N 4.96 -3.56 -0.88 3.32 8.00 -0.45 -0.36 116.55 127.57 3iu3 n ASP 148 Ca -0.16 -0.42 -0.11 0.00 0.71 0.00 0.00 54.79 54.81 3iu3 n ASP 148 Cb 0.52 -2.95 -0.05 0.00 -0.02 0.00 0.00 41.12 38.61 3iu3 n ASP 148 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3iu3 n ASN 149 N -2.29 -4.33 -4.43 -2.24 3.02 -1.26 -5.02 115.26 98.71 3iu3 n ASN 149 Ca -0.01 0.27 -0.37 0.00 -0.03 0.00 0.00 54.58 54.44 3iu3 n ASN 149 Cb 0.53 -2.86 -0.12 0.00 -0.61 0.00 0.00 39.78 36.72 3iu3 n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iu3 s ALA 150 N -2.43 3.16 0.22 5.41 0.00 0.51 -5.06 121.76 123.57 3iu3 s ALA 150 Ca 0.00 -1.22 -0.32 0.00 0.00 0.00 0.00 51.96 50.42 3iu3 s ALA 150 Cb 0.00 -2.14 -0.11 0.00 0.00 0.00 0.00 23.12 20.87 3iu3 s ALA 150 CO 0.00 -0.62 1.67 -1.17 0.00 0.00 0.00 175.76 175.64 3iu3 s LEU 151 N 1.60 4.37 0.26 0.00 2.96 -1.26 -1.39 118.68 125.21 3iu3 s LEU 151 Ca 0.05 2.84 -0.02 0.00 -0.22 0.00 0.00 54.13 56.78 3iu3 s LEU 151 Cb -0.16 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.88 3iu3 s LEU 151 CO 0.04 -0.94 0.49 -1.10 -1.32 0.00 0.00 176.35 173.52 3iu3 s GLN 152 N 0.87 3.56 -0.14 1.98 -1.52 0.19 -4.94 119.66 119.66 3iu3 s GLN 152 Ca 0.72 -0.19 -0.12 0.00 -1.95 0.00 0.00 55.36 53.82 3iu3 s GLN 152 Cb -0.48 -2.73 0.04 0.00 -0.22 0.00 0.00 33.01 29.62 3iu3 s GLN 152 CO 0.35 0.28 0.37 -1.12 -0.25 0.00 0.00 175.29 174.92 3iu3 s SER 153 N -3.32 -0.41 0.00 5.90 0.01 -1.26 -4.71 113.70 109.90 3iu3 s SER 153 Ca 0.41 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.44 3iu3 s SER 153 Cb -0.11 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.86 3iu3 s SER 153 CO 0.31 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.42 3iu3 n GLY 154 N 3.29 2.36 1.37 3.44 0.00 -1.26 -4.79 105.19 109.61 3iu3 n GLY 154 Ca -0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.98 3iu3 n GLY 154 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3iu3 n ASN 155 N 0.00 3.98 -3.81 1.61 6.94 -1.26 -4.92 115.26 117.81 3iu3 n ASN 155 Ca 0.00 -2.00 -0.13 0.00 -0.02 0.00 0.00 54.58 52.43 3iu3 n ASN 155 Cb 0.00 -0.49 -0.14 0.00 -2.36 0.00 0.00 39.78 36.78 3iu3 n ASN 155 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3iu3 s SER 156 N -1.00 -0.04 0.25 0.53 1.04 -1.26 -2.70 113.70 110.51 3iu3 s SER 156 Ca 0.50 0.14 0.11 0.00 0.48 0.00 0.00 55.95 57.17 3iu3 s SER 156 Cb 0.26 0.09 -0.05 0.00 0.10 0.00 0.00 66.02 66.42 3iu3 s SER 156 CO 0.34 -0.07 -0.19 0.00 0.98 0.00 0.00 173.24 174.29 3iu3 s GLN 157 N 0.51 1.57 0.21 4.02 -2.07 -1.19 -4.98 119.66 117.73 3iu3 s GLN 157 Ca -0.04 -1.68 0.08 0.00 -1.82 0.00 0.00 55.36 51.89 3iu3 s GLN 157 Cb -0.06 -1.63 -0.05 0.00 -1.09 0.00 0.00 33.01 30.18 3iu3 s GLN 157 CO -0.02 0.31 -0.14 -1.83 -1.32 0.00 0.00 175.29 172.29 3iu3 s GLU 158 N -3.38 1.35 0.01 9.60 -1.05 -1.26 -2.19 118.70 121.77 3iu3 s GLU 158 Ca 0.27 -1.61 0.02 0.00 -0.15 0.00 0.00 54.97 53.50 3iu3 s GLU 158 Cb -0.05 -1.14 -0.01 0.00 -0.44 0.00 0.00 34.13 32.50 3iu3 s GLU 158 CO 0.12 0.18 -0.07 0.45 0.95 0.00 0.00 175.26 176.89 3iu3 s SER 159 N -3.33 0.77 -0.06 0.83 0.15 -0.64 -5.00 113.70 106.42 3iu3 s SER 159 Ca 0.23 -0.20 0.02 0.00 0.70 0.00 0.00 55.95 56.70 3iu3 s SER 159 Cb -0.00 -0.06 0.02 0.00 -1.71 0.00 0.00 66.02 64.26 3iu3 s SER 159 CO 0.07 0.02 -0.10 -0.69 1.20 0.00 0.00 173.24 173.75 3iu3 s VAL 160 N -0.38 0.92 0.71 4.45 1.01 -1.26 -1.78 120.40 124.07 3iu3 s VAL 160 Ca 0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 3iu3 s VAL 160 Cb -0.04 -0.86 0.03 0.00 0.00 0.00 0.00 36.38 35.50 3iu3 s VAL 160 CO -0.00 0.31 1.10 0.42 0.00 0.00 0.00 175.10 176.92 3iu3 s THR 161 N 0.72 3.32 0.93 3.92 -4.23 -0.74 -5.01 115.64 114.55 3iu3 s THR 161 Ca -0.13 0.52 -0.12 0.00 -1.18 0.00 0.00 61.69 60.77 3iu3 s THR 161 Cb -0.15 -3.03 0.15 0.00 1.34 0.00 0.00 72.50 70.81 3iu3 s THR 161 CO 0.02 -0.47 1.10 -1.61 -0.54 0.00 0.00 174.62 173.12 3iu3 s GLU 162 N -4.51 1.00 0.24 3.99 0.41 -1.26 -4.59 118.70 113.98 3iu3 s GLU 162 Ca 0.64 0.58 -0.31 0.00 -0.41 0.00 0.00 54.97 55.46 3iu3 s GLU 162 Cb -0.19 -1.80 -0.12 0.00 -1.78 0.00 0.00 34.13 30.24 3iu3 s GLU 162 CO 0.49 -2.36 1.61 0.94 -0.49 0.00 0.00 175.26 175.45 3iu3 n GLN 163 N -3.93 2.57 -2.00 1.61 7.27 -1.26 -4.79 117.38 116.85 3iu3 n GLN 163 Ca 0.06 0.92 -0.39 0.00 0.07 0.00 0.00 57.00 57.66 3iu3 n GLN 163 Cb 0.57 -2.70 0.00 0.00 2.41 0.00 0.00 30.24 30.52 3iu3 n GLN 163 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3iu3 s ASP 164 N 0.74 6.18 0.38 1.69 2.15 -0.64 -4.92 116.67 122.26 3iu3 s ASP 164 Ca 0.70 2.70 0.21 0.00 0.43 0.00 0.00 52.55 56.58 3iu3 s ASP 164 Cb -0.54 -2.64 0.56 0.00 -0.30 0.00 0.00 42.92 39.99 3iu3 s ASP 164 CO 0.42 -0.94 1.67 0.77 -0.17 0.00 0.00 175.17 176.92 3iu3 h SER 165 N 2.54 0.00 0.00 -0.34 4.64 -1.92 -2.62 113.55 115.86 3iu3 h SER 165 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3iu3 h SER 165 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3iu3 h SER 165 CO 0.62 0.31 -0.77 0.29 -0.87 0.00 0.00 176.83 176.41 3iu3 n LYS 166 N -3.31 0.48 -0.02 4.77 5.02 -1.26 -4.72 118.16 119.12 3iu3 n LYS 166 Ca 0.01 0.33 0.12 0.00 -2.02 0.00 0.00 58.31 56.75 3iu3 n LYS 166 Cb 0.55 -1.51 0.11 0.00 -0.02 0.00 0.00 35.03 34.16 3iu3 n LYS 166 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3iu3 n ASP 167 N -4.45 3.00 -1.38 4.39 3.85 -1.26 -4.99 116.55 115.70 3iu3 n ASP 167 Ca -0.11 -1.97 -0.16 0.00 -0.71 0.00 0.00 54.79 51.84 3iu3 n ASP 167 Cb 0.40 -0.03 -0.05 0.00 -1.35 0.00 0.00 41.12 40.09 3iu3 n ASP 167 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3iu3 n SER 168 N 1.33 -4.84 -5.02 -1.12 7.64 -0.99 -4.98 113.62 105.65 3iu3 n SER 168 Ca 0.14 0.27 -0.18 0.00 1.01 0.00 0.00 58.87 60.11 3iu3 n SER 168 Cb 0.59 -3.79 0.02 0.00 -1.01 0.00 0.00 64.21 60.02 3iu3 n SER 168 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3iu3 s THR 169 N -2.64 2.77 0.27 0.44 -4.23 -1.26 -4.59 115.64 106.39 3iu3 s THR 169 Ca 0.00 -1.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.61 3iu3 s THR 169 Cb 0.00 -2.77 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 3iu3 s THR 169 CO 0.00 0.00 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.75 3iu3 s TYR 170 N -2.44 2.66 0.02 3.99 2.02 0.36 -1.61 117.35 122.35 3iu3 s TYR 170 Ca 0.57 -0.24 0.01 0.00 -0.37 0.00 0.00 57.07 57.04 3iu3 s TYR 170 Cb -0.09 -1.19 -0.02 0.00 -0.40 0.00 0.00 41.96 40.26 3iu3 s TYR 170 CO 0.35 0.62 -0.05 -1.12 -1.57 0.00 0.00 175.55 173.78 3iu3 s SER 171 N -3.67 0.56 -0.02 2.29 0.01 -1.26 -1.43 113.70 110.18 3iu3 s SER 171 Ca 0.31 -0.39 -0.02 0.00 1.31 0.00 0.00 55.95 57.17 3iu3 s SER 171 Cb -0.06 0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.20 3iu3 s SER 171 CO 0.20 -0.15 0.06 -0.22 0.41 0.00 0.00 173.24 173.54 3iu3 s LEU 172 N -1.09 1.73 -0.03 2.44 0.20 0.27 -1.79 118.68 120.42 3iu3 s LEU 172 Ca -0.08 0.13 0.06 0.00 0.69 0.00 0.00 54.13 54.93 3iu3 s LEU 172 Cb -0.07 0.22 -0.01 0.00 -0.43 0.00 0.00 46.19 45.89 3iu3 s LEU 172 CO -0.00 -0.03 -0.19 -0.94 -0.29 0.00 0.00 176.35 174.90 3iu3 s SER 173 N 0.06 2.35 -0.13 3.68 1.04 -0.73 0.25 113.70 120.22 3iu3 s SER 173 Ca -0.00 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.07 3iu3 s SER 173 Cb -0.01 -0.42 -0.01 0.00 0.10 0.00 0.00 66.02 65.68 3iu3 s SER 173 CO -0.00 0.22 -0.16 -0.55 0.98 0.00 0.00 173.24 173.72 3iu3 s SER 174 N -0.28 3.68 -0.20 7.02 0.15 0.71 -1.62 113.70 123.17 3iu3 s SER 174 Ca 0.03 -0.43 -0.01 0.00 0.70 0.00 0.00 55.95 56.24 3iu3 s SER 174 Cb -0.09 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 3iu3 s SER 174 CO 0.01 0.14 -0.12 -0.89 1.20 0.00 0.00 173.24 173.58 3iu3 s THR 175 N 0.49 2.76 -0.31 6.45 2.01 -0.93 0.26 115.64 126.36 3iu3 s THR 175 Ca -0.11 -0.71 -0.16 0.00 0.31 0.00 0.00 61.69 61.03 3iu3 s THR 175 Cb -0.16 -2.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 3iu3 s THR 175 CO 0.05 0.48 0.39 -0.22 -0.69 0.00 0.00 174.62 174.63 3iu3 s LEU 176 N 1.32 4.25 -0.19 4.42 0.20 0.11 -3.18 118.68 125.61 3iu3 s LEU 176 Ca 0.04 0.02 -0.04 0.00 0.69 0.00 0.00 54.13 54.85 3iu3 s LEU 176 Cb -0.14 -2.42 -0.02 0.00 -0.43 0.00 0.00 46.19 43.19 3iu3 s LEU 176 CO -0.07 -0.30 -0.04 -0.89 -0.29 0.00 0.00 176.35 174.76 3iu3 s THR 177 N 2.11 3.57 0.22 3.68 2.01 -1.10 0.33 115.64 126.46 3iu3 s THR 177 Ca 0.14 -0.44 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 3iu3 s THR 177 Cb -0.16 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 3iu3 s THR 177 CO 0.11 0.45 0.25 -0.76 -0.69 0.00 0.00 174.62 173.97 3iu3 s LEU 178 N 1.05 0.89 0.47 4.42 1.43 0.13 -4.86 118.68 122.20 3iu3 s LEU 178 Ca 0.01 -1.25 -0.05 0.00 -1.03 0.00 0.00 54.13 51.81 3iu3 s LEU 178 Cb -0.15 0.83 -0.04 0.00 0.03 0.00 0.00 46.19 46.87 3iu3 s LEU 178 CO 0.00 -0.94 0.77 -0.94 0.23 0.00 0.00 176.35 175.47 3iu3 s SER 179 N -3.12 6.27 0.21 2.29 1.04 -1.26 0.62 113.70 119.76 3iu3 s SER 179 Ca 0.34 0.90 -0.09 0.00 0.48 0.00 0.00 55.95 57.57 3iu3 s SER 179 Cb 0.04 -2.23 0.29 0.00 0.10 0.00 0.00 66.02 64.22 3iu3 s SER 179 CO 0.11 -0.55 1.74 0.50 0.98 0.00 0.00 173.24 176.03 3iu3 h LYS 180 N 0.29 0.40 -0.58 4.02 3.64 -1.11 0.70 116.57 123.93 3iu3 h LYS 180 Ca -0.47 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 58.93 3iu3 h LYS 180 Cb 1.21 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 3iu3 h LYS 180 CO 0.62 0.27 0.32 0.00 -2.27 0.00 0.00 179.45 178.39 3iu3 h ALA 181 N 1.43 0.76 -0.24 5.00 0.00 -1.95 0.21 119.26 124.47 3iu3 h ALA 181 Ca 0.32 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.06 3iu3 h ALA 181 Cb 0.39 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3iu3 h ALA 181 CO -0.31 0.01 -0.56 -0.44 0.00 0.00 0.00 179.25 177.95 3iu3 h ASP 182 N 0.62 0.80 -0.18 0.00 3.32 -1.82 -2.99 116.42 116.17 3iu3 h ASP 182 Ca 0.25 -0.43 -0.08 0.00 0.02 0.00 0.00 57.03 56.79 3iu3 h ASP 182 Cb 0.12 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3iu3 h ASP 182 CO -0.15 1.19 -0.12 0.22 -1.72 0.00 0.00 179.24 178.66 3iu3 h TYR 183 N 0.55 0.61 0.00 4.55 3.20 -0.51 -3.05 116.97 122.32 3iu3 h TYR 183 Ca 0.01 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3iu3 h TYR 183 Cb 1.13 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.24 3iu3 h TYR 183 CO 0.06 0.66 0.00 0.93 -1.64 0.00 0.00 178.16 178.17 3iu3 h GLU 184 N 0.52 0.00 0.00 1.82 5.08 -0.93 -3.26 114.58 117.81 3iu3 h GLU 184 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3iu3 h GLU 184 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3iu3 h GLU 184 CO 0.03 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.67 3iu3 n LYS 185 N -2.78 0.31 -4.27 2.33 5.02 -1.13 -4.85 118.16 112.78 3iu3 n LYS 185 Ca 0.04 0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.24 3iu3 n LYS 185 Cb 0.47 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.88 3iu3 n LYS 185 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3iu3 s HIS 186 N -2.63 1.37 0.00 2.13 3.76 -1.23 -5.09 115.29 113.60 3iu3 s HIS 186 Ca 0.22 -1.15 0.00 0.00 -0.15 0.00 0.00 55.06 53.98 3iu3 s HIS 186 Cb 0.17 -0.78 0.00 0.00 1.11 0.00 0.00 32.58 33.08 3iu3 s HIS 186 CO 0.39 -0.33 0.00 0.36 -0.85 0.00 0.00 174.74 174.31 3iu3 n LYS 187 N -0.36 2.28 -3.41 1.40 2.85 -1.26 -4.81 118.16 114.86 3iu3 n LYS 187 Ca -0.02 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.83 3iu3 n LYS 187 Cb 0.65 -0.88 -0.09 0.00 -0.65 0.00 0.00 35.03 34.05 3iu3 n LYS 187 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3iu3 s VAL 188 N -1.77 5.17 -0.16 0.58 1.01 -1.26 0.06 120.40 124.04 3iu3 s VAL 188 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.97 3iu3 s VAL 188 Cb 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3iu3 s VAL 188 CO 0.00 -0.11 -0.15 -0.31 0.00 0.00 0.00 175.10 174.53 3iu3 s TYR 189 N 1.99 2.80 -0.02 5.22 1.51 -0.42 -1.35 117.35 127.09 3iu3 s TYR 189 Ca 0.11 -1.12 0.03 0.00 -1.01 0.00 0.00 57.07 55.08 3iu3 s TYR 189 Cb -0.17 -1.91 0.00 0.00 -0.11 0.00 0.00 41.96 39.77 3iu3 s TYR 189 CO 0.12 -0.53 -0.10 0.00 -1.11 0.00 0.00 175.55 173.93 3iu3 s ALA 190 N 0.95 0.89 -0.19 3.71 0.00 -0.78 -1.01 121.76 125.32 3iu3 s ALA 190 Ca -0.03 -0.37 -0.05 0.00 0.00 0.00 0.00 51.96 51.51 3iu3 s ALA 190 Cb -0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 3iu3 s ALA 190 CO -0.02 0.16 -0.01 0.00 0.00 0.00 0.00 175.76 175.89 3iu3 s GLU 192 N 0.93 2.46 -0.19 0.00 2.12 0.16 -1.85 118.70 122.33 3iu3 s GLU 192 Ca 0.01 -1.25 -0.06 0.00 0.36 0.00 0.00 54.97 54.03 3iu3 s GLU 192 Cb -0.14 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 3iu3 s GLU 192 CO 0.02 -0.62 0.03 0.08 -0.54 0.00 0.00 175.26 174.23 3iu3 s VAL 193 N 1.27 4.36 -0.17 3.70 1.01 0.13 -0.76 120.40 129.94 3iu3 s VAL 193 Ca -0.05 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3iu3 s VAL 193 Cb -0.20 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.24 3iu3 s VAL 193 CO -0.01 0.45 -0.19 -0.89 0.00 0.00 0.00 175.10 174.46 3iu3 s THR 194 N 0.63 2.21 -0.09 3.92 2.01 0.76 -1.05 115.64 124.04 3iu3 s THR 194 Ca 0.01 -0.90 -0.16 0.00 0.31 0.00 0.00 61.69 60.95 3iu3 s THR 194 Cb -0.14 -1.93 0.04 0.00 0.01 0.00 0.00 72.50 70.48 3iu3 s THR 194 CO 0.02 0.53 0.41 -2.28 -0.69 0.00 0.00 174.62 172.60 3iu3 s HIS 195 N 1.17 -0.38 0.37 4.92 2.46 -1.26 -0.68 115.29 121.89 3iu3 s HIS 195 Ca 0.02 0.81 0.18 0.00 0.47 0.00 0.00 55.06 56.53 3iu3 s HIS 195 Cb -0.14 0.16 1.12 0.00 -0.13 0.00 0.00 32.58 33.59 3iu3 s HIS 195 CO -0.09 -0.32 1.69 0.37 -2.47 0.00 0.00 174.74 173.92 3iu3 h GLN 196 N 4.64 0.33 -0.00 2.88 4.15 -1.94 -0.07 115.11 125.11 3iu3 h GLN 196 Ca -0.28 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.12 3iu3 h GLN 196 Cb 1.18 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.79 3iu3 h GLN 196 CO 0.31 0.22 -0.05 0.41 -1.93 0.00 0.00 178.83 177.79 3iu3 n GLY 197 N -1.38 -1.06 3.73 2.39 0.00 -1.26 -4.87 105.19 102.73 3iu3 n GLY 197 Ca 0.30 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 3iu3 n GLY 197 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iu3 s LEU 198 N -2.43 3.37 -1.21 0.99 1.02 -0.04 -4.64 118.68 115.74 3iu3 s LEU 198 Ca 0.32 -0.61 -0.17 0.00 0.02 0.00 0.00 54.13 53.69 3iu3 s LEU 198 Cb 0.20 -1.88 0.12 0.00 0.02 0.00 0.00 46.19 44.65 3iu3 s LEU 198 CO 0.45 -0.15 1.53 -0.44 0.02 0.00 0.00 176.35 177.76 3iu3 s SER 199 N -3.80 6.90 0.55 2.29 0.01 -1.26 -4.77 113.70 113.62 3iu3 s SER 199 Ca 0.35 -2.59 -0.18 0.00 1.31 0.00 0.00 55.95 54.84 3iu3 s SER 199 Cb -0.05 -2.48 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 3iu3 s SER 199 CO 0.22 -1.00 1.08 -0.44 0.41 0.00 0.00 173.24 173.52 3iu3 s SER 200 N 3.61 5.86 0.46 2.44 0.01 -1.26 -4.22 113.70 120.59 3iu3 s SER 200 Ca 0.47 1.97 -0.18 0.00 1.31 0.00 0.00 55.95 59.52 3iu3 s SER 200 Cb -0.00 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.58 3iu3 s SER 200 CO 0.02 -1.12 0.93 -2.16 0.41 0.00 0.00 173.24 171.32 3iu3 s PRO 201 N -3.60 4.05 -0.05 12.44 0.04 -1.26 -5.06 135.00 141.55 3iu3 s PRO 201 Ca 0.68 0.95 0.05 0.00 0.04 0.00 0.00 61.00 62.72 3iu3 s PRO 201 Cb -0.19 -2.20 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 3iu3 s PRO 201 CO 0.29 -0.12 -0.20 0.08 0.04 0.00 0.00 177.00 177.09 3iu3 s VAL 202 N -2.38 2.49 -0.18 -0.36 1.01 -0.21 -4.93 120.40 115.84 3iu3 s VAL 202 Ca 0.59 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 3iu3 s VAL 202 Cb -0.10 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3iu3 s VAL 202 CO 0.23 0.57 -0.07 -0.89 0.00 0.00 0.00 175.10 174.95 3iu3 s THR 203 N -0.38 3.42 -0.22 3.92 2.01 -1.26 -0.69 115.64 122.43 3iu3 s THR 203 Ca 0.03 -0.51 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 3iu3 s THR 203 Cb -0.12 -2.51 -0.01 0.00 0.01 0.00 0.00 72.50 69.87 3iu3 s THR 203 CO 0.02 0.47 -0.04 -0.75 -0.69 0.00 0.00 174.62 173.63 3iu3 s LYS 204 N 0.85 3.39 0.20 4.92 2.47 -0.77 -4.98 119.74 125.81 3iu3 s LYS 204 Ca -0.02 -0.62 0.02 0.00 -1.56 0.00 0.00 55.97 53.79 3iu3 s LYS 204 Cb -0.15 -3.01 -0.05 0.00 -1.46 0.00 0.00 37.83 33.16 3iu3 s LYS 204 CO 0.01 -0.18 0.02 -1.54 0.16 0.00 0.00 175.35 173.82 3iu3 s SER 205 N 1.45 1.31 0.09 1.43 1.04 -1.26 -1.23 113.70 116.53 3iu3 s SER 205 Ca 0.05 -1.22 -0.07 0.00 0.48 0.00 0.00 55.95 55.19 3iu3 s SER 205 Cb -0.14 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.08 3iu3 s SER 205 CO -0.03 -0.59 0.16 0.72 0.98 0.00 0.00 173.24 174.48 3iu3 s PHE 206 N -3.64 0.27 -0.19 5.02 -0.71 -0.18 -5.01 117.98 113.55 3iu3 s PHE 206 Ca 0.27 -0.70 -0.06 0.00 -1.04 0.00 0.00 56.93 55.40 3iu3 s PHE 206 Cb 0.06 -0.13 -0.03 0.00 -1.21 0.00 0.00 43.02 41.71 3iu3 s PHE 206 CO 0.07 -0.54 0.03 -0.80 -1.34 0.00 0.00 175.22 172.64 3iu3 s ASN 207 N -2.89 5.27 0.00 1.98 0.01 -1.26 -1.29 114.94 116.76 3iu3 s ASN 207 Ca 0.08 -0.04 0.08 0.00 -0.71 0.00 0.00 52.86 52.27 3iu3 s ASN 207 Cb 0.05 -1.90 0.48 0.00 0.41 0.00 0.00 41.25 40.29 3iu3 s ASN 207 CO -0.09 0.13 0.93 -1.14 -1.51 0.00 0.00 177.10 175.43