#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibg s MET 13 N 0.00 1.05 0.77 3.23 -1.94 -1.26 -5.13 119.30 116.02 3ibg s MET 13 Ca 0.00 -1.61 -0.16 0.00 -1.71 0.00 0.00 55.69 52.21 3ibg s MET 13 Cb 0.00 -2.23 -0.05 0.00 2.01 0.00 0.00 34.83 34.56 3ibg s MET 13 CO 0.00 -1.08 0.26 -0.85 -0.01 0.00 0.00 175.02 173.34 3ibg n GLU 14 N 4.12 0.13 -0.80 2.03 0.00 -1.26 -4.53 120.64 120.34 3ibg n GLU 14 Ca 0.04 0.08 -0.09 0.00 0.00 0.00 0.00 57.16 57.19 3ibg n GLU 14 Cb 0.38 -1.63 -0.13 0.00 0.00 0.00 0.00 31.44 30.06 3ibg n GLU 14 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3ibg n PRO 15 N -0.21 1.60 -4.01 3.44 -0.02 -1.26 -4.31 135.00 130.23 3ibg n PRO 15 Ca 0.08 -0.76 -0.12 0.00 -2.02 0.00 0.00 63.50 60.68 3ibg n PRO 15 Cb 0.51 -1.85 -0.12 0.00 -0.02 0.00 0.00 33.50 32.02 3ibg n PRO 15 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ibg s THR 16 N 1.24 0.25 -0.98 3.45 2.01 -1.26 -4.20 115.64 116.15 3ibg s THR 16 Ca 0.51 -0.64 0.05 0.00 0.31 0.00 0.00 61.69 61.92 3ibg s THR 16 Cb 0.24 -0.31 0.26 0.00 0.01 0.00 0.00 72.50 72.70 3ibg s THR 16 CO 0.00 -0.26 0.96 0.18 -0.69 0.00 0.00 174.62 174.81 3ibg n LEU 17 N 2.11 2.32 -0.17 4.42 4.77 -0.06 -4.30 117.00 126.08 3ibg n LEU 17 Ca -0.19 -1.17 -0.11 0.00 -0.03 0.00 0.00 56.01 54.51 3ibg n LEU 17 Cb 0.57 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3ibg n LEU 17 CO 0.22 0.36 0.72 -0.61 -1.33 0.00 0.00 177.39 176.76 3ibg h GLN 18 N 1.32 0.98 -0.71 3.23 4.15 -1.90 -2.20 115.11 119.98 3ibg h GLN 18 Ca 0.00 -0.38 0.15 0.00 0.77 0.00 0.00 58.65 59.19 3ibg h GLN 18 Cb 0.86 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.46 3ibg h GLN 18 CO 0.13 1.05 0.48 0.66 -1.93 0.00 0.00 178.83 179.22 3ibg h SER 19 N 0.84 0.31 0.03 -0.69 4.64 -1.98 -0.47 113.55 116.23 3ibg h SER 19 Ca 0.13 0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.39 3ibg h SER 19 Cb 0.69 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.74 3ibg h SER 19 CO 0.05 0.16 -0.29 0.40 -0.87 0.00 0.00 176.83 176.28 3ibg h ILE 20 N 0.33 1.61 0.00 0.95 2.04 -1.77 -3.10 117.51 117.57 3ibg h ILE 20 Ca 0.35 -2.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.02 3ibg h ILE 20 Cb 0.88 3.04 -0.00 0.00 -0.74 0.00 0.00 36.82 40.01 3ibg h ILE 20 CO -0.09 0.59 -0.01 -0.07 0.00 0.00 0.00 178.15 178.57 3ibg h LEU 21 N -0.62 0.00 0.00 1.44 3.38 -0.85 -1.47 115.31 117.18 3ibg h LEU 21 Ca -0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 3ibg h LEU 21 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 3ibg h LEU 21 CO 0.06 0.01 -0.66 0.28 0.09 0.00 0.00 178.44 178.21 3ibg h SER 22 N 0.00 0.00 -2.91 -0.43 0.02 -1.11 -3.44 113.55 105.68 3ibg h SER 22 Ca -0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 3ibg h SER 22 Cb 0.03 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 3ibg h SER 22 CO 0.00 0.56 1.18 -1.10 -1.14 0.00 0.00 176.83 176.33 3ibg s GLN 23 N -2.93 3.40 0.00 3.45 -0.21 -0.56 -4.85 119.66 117.97 3ibg s GLN 23 Ca 0.03 1.10 0.27 0.00 0.02 0.00 0.00 55.36 56.78 3ibg s GLN 23 Cb 0.08 -4.13 0.88 0.00 1.00 0.00 0.00 33.01 30.84 3ibg s GLN 23 CO 0.76 -1.78 1.65 1.63 -2.12 0.00 0.00 175.29 175.43 3ibg n LYS 24 N 8.33 1.79 0.06 2.91 5.02 -1.26 -3.56 118.16 131.45 3ibg n LYS 24 Ca 0.19 -1.15 0.11 0.00 -2.02 0.00 0.00 58.31 55.45 3ibg n LYS 24 Cb 0.48 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 34.06 3ibg n LYS 24 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3ibg n THR 25 N 0.39 0.36 -1.94 -0.18 -2.24 -1.26 -4.91 114.28 104.50 3ibg n THR 25 Ca 0.18 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 61.18 3ibg n THR 25 Cb 0.39 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.53 3ibg n THR 25 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3ibg s LEU 26 N -4.52 4.37 0.00 3.22 1.43 -1.18 -4.36 118.68 117.64 3ibg s LEU 26 Ca 0.02 2.75 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 3ibg s LEU 26 Cb 0.12 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.72 3ibg s LEU 26 CO 0.78 -0.77 0.00 0.54 0.23 0.00 0.00 176.35 177.13 3ibg n ARG 27 N 2.33 2.59 -4.06 1.70 1.74 0.20 -4.72 116.66 116.43 3ibg n ARG 27 Ca 0.07 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.84 3ibg n ARG 27 Cb 0.39 -0.89 -0.16 0.00 -1.02 0.00 0.00 32.46 30.78 3ibg n ARG 27 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3ibg s TRP 28 N -1.72 2.51 -0.31 -1.55 0.52 -0.41 -0.11 118.94 117.86 3ibg s TRP 28 Ca 0.00 -1.51 0.01 0.00 0.02 0.00 0.00 56.10 54.62 3ibg s TRP 28 Cb 0.00 -1.75 0.09 0.00 -1.15 0.00 0.00 33.47 30.66 3ibg s TRP 28 CO 0.00 -0.75 0.05 0.42 0.02 0.00 0.00 176.95 176.70 3ibg s ILE 29 N 1.37 1.54 0.57 2.03 1.01 -0.14 -2.42 121.20 125.17 3ibg s ILE 29 Ca 0.03 -1.75 -0.17 0.00 0.00 0.00 0.00 60.65 58.76 3ibg s ILE 29 Cb -0.14 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.19 3ibg s ILE 29 CO -0.11 -0.55 1.08 -0.36 0.00 0.00 0.00 174.94 174.99 3ibg s PHE 30 N 1.29 2.86 -0.06 3.97 0.08 -0.67 -1.31 117.98 124.14 3ibg s PHE 30 Ca 0.08 1.54 -0.01 0.00 0.12 0.00 0.00 56.93 58.65 3ibg s PHE 30 Cb -0.18 -3.11 0.03 0.00 -0.57 0.00 0.00 43.02 39.19 3ibg s PHE 30 CO -0.15 -1.24 0.01 0.08 -0.10 0.00 0.00 175.22 173.83 3ibg s VAL 31 N -2.18 0.25 0.02 -0.44 1.01 -0.52 -1.60 120.40 116.94 3ibg s VAL 31 Ca 0.67 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.76 3ibg s VAL 31 Cb -0.18 -0.43 -0.00 0.00 0.00 0.00 0.00 36.38 35.77 3ibg s VAL 31 CO 0.32 0.23 0.14 -0.83 0.00 0.00 0.00 175.10 174.96 3ibg s GLY 32 N 1.92 0.07 0.00 4.51 0.00 -0.76 -2.35 107.32 110.72 3ibg s GLY 32 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.51 3ibg s GLY 32 CO -0.04 -0.39 0.00 0.61 0.00 0.00 0.00 173.10 173.28 3ibg n GLY 33 N 1.19 1.59 3.68 0.20 0.00 -1.26 -0.87 105.19 109.72 3ibg n GLY 33 Ca -0.21 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 3ibg n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ibg s LYS 34 N -0.48 3.08 0.00 1.61 2.20 -1.26 -4.63 119.74 120.26 3ibg s LYS 34 Ca 0.00 -0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.21 3ibg s LYS 34 Cb 0.00 -2.83 0.00 0.00 -1.51 0.00 0.00 37.83 33.49 3ibg s LYS 34 CO 0.00 0.67 0.00 0.41 -0.36 0.00 0.00 175.35 176.07 3ibg n GLY 35 N 2.25 1.06 2.19 5.54 0.00 -1.26 -4.41 105.19 110.56 3ibg n GLY 35 Ca -0.19 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 3ibg n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibg n GLY 36 N -0.36 0.07 0.00 -0.02 0.00 -1.26 -4.89 105.19 98.73 3ibg n GLY 36 Ca 0.00 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.66 3ibg n GLY 36 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ibg n VAL 37 N -3.90 0.10 -0.07 1.61 0.24 -1.26 -4.83 118.33 110.22 3ibg n VAL 37 Ca -0.11 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 3ibg n VAL 37 Cb 0.56 -0.58 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 3ibg n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ibg n GLY 38 N 0.99 1.15 0.24 7.63 0.00 -1.26 -4.64 105.19 109.29 3ibg n GLY 38 Ca 0.14 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 3ibg n GLY 38 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ibg h LYS 39 N 0.00 -0.53 -0.57 1.61 3.64 -1.88 -2.60 116.57 116.24 3ibg h LYS 39 Ca 0.00 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 3ibg h LYS 39 Cb 0.03 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 3ibg h LYS 39 CO 0.00 -0.24 0.28 1.15 -2.27 0.00 0.00 179.45 178.37 3ibg h THR 40 N -0.77 0.92 -0.11 1.00 2.02 -1.94 -0.24 112.91 113.79 3ibg h THR 40 Ca -0.06 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 3ibg h THR 40 Cb 0.53 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3ibg h THR 40 CO 0.09 0.10 0.04 0.74 0.37 0.00 0.00 175.52 176.86 3ibg h THR 41 N 0.53 1.05 -0.04 3.16 2.02 -1.95 -2.04 112.91 115.64 3ibg h THR 41 Ca 0.26 -0.15 -0.25 0.00 0.77 0.00 0.00 66.41 67.05 3ibg h THR 41 Cb 0.20 0.92 0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3ibg h THR 41 CO -0.19 0.06 -0.95 0.74 0.37 0.00 0.00 175.52 175.54 3ibg h THR 42 N 0.15 1.31 -0.50 3.16 2.02 -0.79 -2.63 112.91 115.63 3ibg h THR 42 Ca 0.04 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 65.01 3ibg h THR 42 Cb 0.04 2.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 3ibg h THR 42 CO -0.00 0.68 0.32 0.28 0.37 0.00 0.00 175.52 177.17 3ibg h SER 43 N 0.39 0.58 -0.14 4.18 0.02 -0.48 0.36 113.55 118.47 3ibg h SER 43 Ca -0.10 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 3ibg h SER 43 Cb 1.59 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.98 3ibg h SER 43 CO 0.18 0.44 -0.00 0.00 -1.14 0.00 0.00 176.83 176.31 3ibg h SER 45 N -0.01 -0.01 -0.43 0.00 0.02 -1.30 0.16 113.55 111.97 3ibg h SER 45 Ca 0.04 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3ibg h SER 45 Cb 0.38 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 3ibg h SER 45 CO 0.01 0.02 0.22 0.25 -1.14 0.00 0.00 176.83 176.19 3ibg h LEU 46 N 0.10 0.59 -0.06 5.07 5.85 -0.96 0.13 115.31 126.02 3ibg h LEU 46 Ca 0.09 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3ibg h LEU 46 Cb 0.09 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 3ibg h LEU 46 CO -0.12 0.50 -0.01 0.00 -0.34 0.00 0.00 178.44 178.47 3ibg h ALA 47 N 1.59 0.08 -0.75 1.25 0.00 -0.66 -0.83 119.26 119.94 3ibg h ALA 47 Ca 0.17 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.95 3ibg h ALA 47 Cb 0.07 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3ibg h ALA 47 CO -0.02 -0.22 0.42 0.82 0.00 0.00 0.00 179.25 180.25 3ibg h ILE 48 N -0.23 0.94 0.00 0.00 2.04 -0.26 -0.14 117.51 119.86 3ibg h ILE 48 Ca 0.01 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 3ibg h ILE 48 Cb 0.39 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3ibg h ILE 48 CO 0.01 0.14 -0.02 -0.61 0.00 0.00 0.00 178.15 177.66 3ibg h GLN 49 N 0.74 0.00 0.00 2.37 5.75 -0.90 -2.76 115.11 120.31 3ibg h GLN 49 Ca 0.35 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.64 3ibg h GLN 49 Cb 0.27 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 3ibg h GLN 49 CO -0.22 0.02 -1.10 -0.07 -2.65 0.00 0.00 178.83 174.82 3ibg h LEU 50 N 0.00 0.00 -1.58 -2.39 3.38 0.40 -3.31 115.31 111.82 3ibg h LEU 50 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3ibg h LEU 50 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3ibg h LEU 50 CO 0.00 0.92 -0.20 0.00 0.09 0.00 0.00 178.44 179.26 3ibg h ALA 51 N 1.08 1.24 0.00 1.53 0.00 -0.79 0.11 119.26 122.42 3ibg h ALA 51 Ca -0.07 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3ibg h ALA 51 Cb 1.77 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 3ibg h ALA 51 CO 0.11 0.25 -0.43 0.87 0.00 0.00 0.00 179.25 180.05 3ibg h LYS 52 N 0.00 0.00 0.00 0.00 1.57 -1.63 -3.36 116.57 113.15 3ibg h LYS 52 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3ibg h LYS 52 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 3ibg h LYS 52 CO 0.03 0.43 -1.49 0.28 -0.57 0.00 0.00 179.45 178.13 3ibg n VAL 53 N -3.60 0.38 -4.08 0.50 0.31 -0.92 -5.03 118.33 105.89 3ibg n VAL 53 Ca -0.00 -0.29 -0.26 0.00 -0.01 0.00 0.00 64.34 63.78 3ibg n VAL 53 Cb 0.53 -0.48 -0.05 0.00 -0.91 0.00 0.00 33.84 32.93 3ibg n VAL 53 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3ibg s ARG 54 N -2.30 2.94 0.09 5.55 1.81 0.33 -5.05 118.95 122.33 3ibg s ARG 54 Ca -0.04 -0.87 -0.29 0.00 -1.72 0.00 0.00 55.73 52.81 3ibg s ARG 54 Cb 0.03 -2.66 -0.15 0.00 -0.45 0.00 0.00 34.95 31.72 3ibg s ARG 54 CO 0.33 0.48 1.65 -0.22 -0.68 0.00 0.00 175.30 176.85 3ibg h LYS 55 N 2.27 -0.58 -3.80 3.54 3.64 -1.87 -3.43 116.57 116.33 3ibg h LYS 55 Ca -0.48 0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 58.78 3ibg h LYS 55 Cb 1.20 0.13 -0.21 0.00 -0.41 0.00 0.00 32.23 32.95 3ibg h LYS 55 CO 0.63 -0.39 -0.62 -1.54 -2.27 0.00 0.00 179.45 175.26 3ibg s SER 56 N -4.67 0.16 -0.07 4.20 1.04 -1.26 -4.79 113.70 108.31 3ibg s SER 56 Ca -0.16 -0.38 -0.01 0.00 0.48 0.00 0.00 55.95 55.88 3ibg s SER 56 Cb 0.05 0.14 0.03 0.00 0.10 0.00 0.00 66.02 66.34 3ibg s SER 56 CO 0.64 -0.32 -0.01 -0.69 0.98 0.00 0.00 173.24 173.84 3ibg s VAL 57 N -1.39 0.40 -0.14 5.02 1.01 0.13 -2.53 120.40 122.90 3ibg s VAL 57 Ca -0.15 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 3ibg s VAL 57 Cb -0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 3ibg s VAL 57 CO -0.00 0.25 0.07 -0.22 0.00 0.00 0.00 175.10 175.20 3ibg s LEU 58 N 1.78 3.92 -0.48 3.92 2.96 -0.71 -1.12 118.68 128.96 3ibg s LEU 58 Ca 0.02 0.20 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 3ibg s LEU 58 Cb -0.13 -1.96 0.13 0.00 0.50 0.00 0.00 46.19 44.73 3ibg s LEU 58 CO -0.04 0.28 0.23 -0.22 -1.32 0.00 0.00 176.35 175.28 3ibg s LEU 59 N -0.30 4.76 0.03 -0.68 2.96 0.12 -0.29 118.68 125.28 3ibg s LEU 59 Ca 0.09 -2.61 -0.10 0.00 -0.22 0.00 0.00 54.13 51.28 3ibg s LEU 59 Cb -0.12 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 3ibg s LEU 59 CO 0.01 -0.34 0.35 0.27 -1.32 0.00 0.00 176.35 175.32 3ibg s ILE 60 N 0.28 5.16 -0.11 6.68 -4.36 -0.79 -1.08 121.20 126.97 3ibg s ILE 60 Ca 0.14 0.47 0.01 0.00 -0.26 0.00 0.00 60.65 61.01 3ibg s ILE 60 Cb -0.22 -3.62 0.02 0.00 1.25 0.00 0.00 42.46 39.88 3ibg s ILE 60 CO -0.03 0.41 -0.11 -0.55 0.24 0.00 0.00 174.94 174.90 3ibg s SER 61 N -1.51 2.22 0.00 4.36 0.15 -0.37 -0.75 113.70 117.80 3ibg s SER 61 Ca 0.28 -0.35 0.25 0.00 0.70 0.00 0.00 55.95 56.83 3ibg s SER 61 Cb -0.14 -0.93 0.56 0.00 -1.71 0.00 0.00 66.02 63.80 3ibg s SER 61 CO 0.15 -0.06 1.45 0.41 1.20 0.00 0.00 173.24 176.39 3ibg n THR 62 N 4.58 0.00 -1.99 6.45 -1.04 0.04 -1.82 114.28 120.49 3ibg n THR 62 Ca -0.16 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.39 3ibg n THR 62 Cb 0.51 0.31 -0.03 0.00 -1.82 0.00 0.00 70.33 69.29 3ibg n THR 62 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3ibg s ASP 63 N -2.86 6.49 0.35 8.00 -1.08 -1.23 -4.47 116.67 121.88 3ibg s ASP 63 Ca 0.15 2.07 0.26 0.00 -0.52 0.00 0.00 52.55 54.51 3ibg s ASP 63 Cb 0.18 -2.53 1.21 0.00 -1.46 0.00 0.00 42.92 40.32 3ibg s ASP 63 CO 0.65 -1.10 1.78 1.55 0.52 0.00 0.00 175.17 178.57 3ibg h PRO 64 N 10.31 0.00 0.00 4.34 0.13 -1.93 -1.99 132.00 142.86 3ibg h PRO 64 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3ibg h PRO 64 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3ibg h PRO 64 CO 0.97 0.00 -0.37 0.00 -0.23 0.00 0.00 178.00 178.36 3ibg h ALA 65 N 2.12 0.77 -6.82 -0.56 0.00 -2.00 -3.47 119.26 109.30 3ibg h ALA 65 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 3ibg h ALA 65 Cb 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.90 3ibg h ALA 65 CO 0.00 0.00 -0.95 0.72 0.00 0.00 0.00 179.25 179.02 3ibg n HIS 66 N -2.38 -1.44 0.81 0.00 8.25 -0.75 -4.78 115.22 114.94 3ibg n HIS 66 Ca 0.04 0.58 0.09 0.00 -0.26 0.00 0.00 57.72 58.16 3ibg n HIS 66 Cb 0.46 -3.15 0.44 0.00 1.12 0.00 0.00 29.99 28.86 3ibg n HIS 66 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3ibg n ASN 67 N -2.82 0.00 0.29 0.41 4.13 -1.26 -2.64 115.26 113.37 3ibg n ASN 67 Ca -0.28 0.09 0.15 0.00 1.68 0.00 0.00 54.58 56.22 3ibg n ASN 67 Cb 0.67 -0.31 0.86 0.00 -1.54 0.00 0.00 39.78 39.46 3ibg n ASN 67 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3ibg h LEU 68 N 0.00 0.00 0.00 3.41 5.85 -1.94 -0.51 115.31 122.12 3ibg h LEU 68 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 3ibg h LEU 68 Cb 0.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3ibg h LEU 68 CO 0.00 0.05 -0.52 0.28 -0.34 0.00 0.00 178.44 177.91 3ibg h SER 69 N 0.00 0.00 -0.14 1.25 0.02 -1.70 -3.25 113.55 109.73 3ibg h SER 69 Ca -0.00 -0.66 0.04 0.00 -0.84 0.00 0.00 61.79 60.33 3ibg h SER 69 Cb 0.16 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3ibg h SER 69 CO 0.01 1.14 0.11 0.44 -1.14 0.00 0.00 176.83 177.39 3ibg h ASP 70 N -1.00 0.00 0.33 3.07 3.32 -1.66 0.42 116.42 120.90 3ibg h ASP 70 Ca -0.14 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3ibg h ASP 70 Cb 1.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.56 3ibg h ASP 70 CO -0.08 0.00 -0.16 0.00 -1.72 0.00 0.00 179.24 177.28 3ibg h ALA 71 N 1.90 -0.44 -0.00 3.45 0.00 -1.23 -3.28 119.26 119.66 3ibg h ALA 71 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ibg h ALA 71 Cb 0.30 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ibg h ALA 71 CO -0.00 -0.52 -0.11 1.19 0.00 0.00 0.00 179.25 179.81 3ibg n PHE 72 N -5.11 0.00 -3.53 0.00 3.72 -1.03 -4.38 117.46 107.13 3ibg n PHE 72 Ca -0.09 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.11 3ibg n PHE 72 Cb 0.27 -0.21 0.06 0.00 -0.94 0.00 0.00 39.48 38.65 3ibg n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ibg n GLY 73 N 1.30 -0.64 3.62 1.37 0.00 0.14 -4.81 105.19 106.17 3ibg n GLY 73 Ca 0.14 0.29 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 3ibg n GLY 73 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ibg s GLN 74 N -5.46 0.80 -0.17 1.61 0.74 -0.94 -5.04 119.66 111.21 3ibg s GLN 74 Ca 0.20 1.02 -0.29 0.00 0.05 0.00 0.00 55.36 56.33 3ibg s GLN 74 Cb -0.04 0.36 -0.00 0.00 1.10 0.00 0.00 33.01 34.42 3ibg s GLN 74 CO 0.79 -0.11 1.02 0.21 -0.55 0.00 0.00 175.29 176.65 3ibg s LYS 75 N 0.59 4.34 0.16 1.67 2.20 -1.26 -4.35 119.74 123.09 3ibg s LYS 75 Ca -0.02 1.37 0.08 0.00 -0.36 0.00 0.00 55.97 57.05 3ibg s LYS 75 Cb -0.05 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 3ibg s LYS 75 CO -0.03 -0.47 -0.08 -0.06 -0.36 0.00 0.00 175.35 174.36 3ibg s PHE 76 N 2.59 2.71 0.00 4.03 0.08 -1.26 -5.03 117.98 121.10 3ibg s PHE 76 Ca 0.46 -0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.33 3ibg s PHE 76 Cb -0.17 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 40.94 3ibg s PHE 76 CO 0.12 0.49 0.00 0.41 -0.10 0.00 0.00 175.22 176.14 3ibg n GLY 77 N 0.20 5.53 0.02 4.36 0.00 -1.26 -4.82 105.19 109.20 3ibg n GLY 77 Ca -0.11 -1.46 0.13 0.00 0.00 0.00 0.00 46.02 44.58 3ibg n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ibg n LYS 78 N 0.00 0.05 -3.29 1.61 4.81 -1.25 -0.28 118.16 119.80 3ibg n LYS 78 Ca 0.00 0.03 -0.39 0.00 -0.87 0.00 0.00 58.31 57.08 3ibg n LYS 78 Cb 0.00 -1.55 -0.07 0.00 0.02 0.00 0.00 35.03 33.44 3ibg n LYS 78 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3ibg s GLU 79 N -3.02 4.24 -0.27 1.64 0.41 -1.26 -4.77 118.70 115.67 3ibg s GLU 79 Ca 0.13 0.39 -0.28 0.00 -0.41 0.00 0.00 54.97 54.80 3ibg s GLU 79 Cb 0.18 -3.51 -0.04 0.00 -1.78 0.00 0.00 34.13 28.97 3ibg s GLU 79 CO 0.59 -0.02 2.09 0.00 -0.49 0.00 0.00 175.26 177.42 3ibg s ALA 80 N 1.23 2.73 0.32 5.21 0.00 -1.26 -4.74 121.76 125.25 3ibg s ALA 80 Ca 0.24 0.58 0.07 0.00 0.00 0.00 0.00 51.96 52.84 3ibg s ALA 80 Cb -0.15 -4.07 -0.02 0.00 0.00 0.00 0.00 23.12 18.89 3ibg s ALA 80 CO 0.10 -2.80 0.41 1.03 0.00 0.00 0.00 175.76 174.49 3ibg s ARG 81 N 6.19 3.08 -0.21 0.00 0.52 -0.94 -4.89 118.95 122.70 3ibg s ARG 81 Ca 0.94 -1.03 -0.22 0.00 -0.52 0.00 0.00 55.73 54.89 3ibg s ARG 81 Cb -0.29 -2.75 -0.02 0.00 0.52 0.00 0.00 34.95 32.41 3ibg s ARG 81 CO 0.34 0.13 0.69 -1.17 0.02 0.00 0.00 175.30 175.32 3ibg s LEU 82 N -4.10 4.12 0.17 2.53 2.96 -1.26 -1.12 118.68 121.98 3ibg s LEU 82 Ca 0.42 0.90 -0.33 0.00 -0.22 0.00 0.00 54.13 54.90 3ibg s LEU 82 Cb -0.09 -2.98 -0.13 0.00 0.50 0.00 0.00 46.19 43.49 3ibg s LEU 82 CO 0.30 -0.35 1.69 0.52 -1.32 0.00 0.00 176.35 177.19 3ibg n VAL 83 N 4.88 0.06 -0.20 1.68 0.31 -0.06 -4.87 118.33 120.12 3ibg n VAL 83 Ca 0.01 -0.01 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 3ibg n VAL 83 Cb 0.49 -1.84 0.04 0.00 -0.91 0.00 0.00 33.84 31.62 3ibg n VAL 83 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3ibg h ASP 84 N 6.74 -0.83 0.00 4.52 3.32 -1.94 -1.42 116.42 126.82 3ibg h ASP 84 Ca -0.44 0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3ibg h ASP 84 Cb 1.22 0.47 0.00 0.00 0.22 0.00 0.00 39.33 41.24 3ibg h ASP 84 CO 0.93 -0.26 0.00 0.61 -1.72 0.00 0.00 179.24 178.81 3ibg n GLY 85 N -1.44 -0.90 3.50 2.75 0.00 -1.26 -4.89 105.19 102.95 3ibg n GLY 85 Ca 0.06 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 3ibg n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ibg s TYR 86 N -2.00 1.94 0.00 1.61 2.02 -0.53 -5.07 117.35 115.31 3ibg s TYR 86 Ca 0.13 -1.03 0.00 0.00 -0.37 0.00 0.00 57.07 55.80 3ibg s TYR 86 Cb 0.06 -1.30 0.00 0.00 -0.40 0.00 0.00 41.96 40.32 3ibg s TYR 86 CO 0.10 -0.04 0.00 -1.13 -1.57 0.00 0.00 175.55 172.92 3ibg n SER 87 N -0.92 3.79 0.00 2.29 3.41 -1.26 -4.77 113.62 116.16 3ibg n SER 87 Ca -0.05 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3ibg n SER 87 Cb 0.66 0.79 0.00 0.00 -0.26 0.00 0.00 64.21 65.40 3ibg n SER 87 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3ibg n ASN 88 N -1.17 1.15 -4.38 4.04 6.94 -1.26 -5.01 115.26 115.57 3ibg n ASN 88 Ca 0.00 -1.44 -0.35 0.00 -0.02 0.00 0.00 54.58 52.76 3ibg n ASN 88 Cb 0.00 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.29 3ibg n ASN 88 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3ibg s LEU 89 N -0.44 3.12 0.08 -4.53 2.96 -1.26 0.21 118.68 118.82 3ibg s LEU 89 Ca 0.00 -0.29 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 3ibg s LEU 89 Cb 0.00 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 3ibg s LEU 89 CO 0.00 0.00 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.45 3ibg s SER 90 N 1.35 1.74 -0.01 3.68 0.01 -0.27 -0.88 113.70 119.32 3ibg s SER 90 Ca 0.04 -0.67 0.04 0.00 1.31 0.00 0.00 55.95 56.67 3ibg s SER 90 Cb -0.15 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.02 3ibg s SER 90 CO -0.00 -0.10 -0.11 0.00 0.41 0.00 0.00 173.24 173.44 3ibg s ALA 91 N -1.52 0.94 0.05 1.44 0.00 -0.27 0.14 121.76 122.53 3ibg s ALA 91 Ca 0.01 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.48 3ibg s ALA 91 Cb -0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 3ibg s ALA 91 CO 0.02 0.23 -0.05 0.00 0.00 0.00 0.00 175.76 175.96 3ibg s MET 92 N -0.29 0.53 -0.27 0.00 0.23 -0.24 -2.22 119.30 117.03 3ibg s MET 92 Ca 0.04 -0.93 0.03 0.00 -1.03 0.00 0.00 55.69 53.80 3ibg s MET 92 Cb -0.04 -0.01 0.07 0.00 -1.53 0.00 0.00 34.83 33.31 3ibg s MET 92 CO -0.00 -0.04 -0.07 -1.21 -2.03 0.00 0.00 175.02 171.67 3ibg s GLU 93 N -2.53 1.96 0.27 3.16 2.02 0.61 -1.23 118.70 122.96 3ibg s GLU 93 Ca -0.04 -1.36 -0.29 0.00 0.02 0.00 0.00 54.97 53.29 3ibg s GLU 93 Cb -0.03 -2.86 -0.09 0.00 0.10 0.00 0.00 34.13 31.24 3ibg s GLU 93 CO -0.04 -0.65 1.16 0.42 0.02 0.00 0.00 175.26 176.18 3ibg s ILE 94 N 1.14 3.35 -0.16 -1.63 -1.09 -0.76 -3.87 121.20 118.18 3ibg s ILE 94 Ca -0.05 1.31 -0.09 0.00 -2.23 0.00 0.00 60.65 59.59 3ibg s ILE 94 Cb -0.20 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 36.81 3ibg s ILE 94 CO -0.06 0.29 0.16 -1.81 -1.23 0.00 0.00 174.94 172.29 3ibg s ASP 95 N -0.60 6.32 0.10 3.58 1.01 -1.26 -4.75 116.67 121.06 3ibg s ASP 95 Ca 0.47 0.37 -0.31 0.00 0.71 0.00 0.00 52.55 53.79 3ibg s ASP 95 Cb -0.34 -2.10 -0.13 0.00 1.01 0.00 0.00 42.92 41.37 3ibg s ASP 95 CO 0.43 0.27 1.61 -0.65 0.21 0.00 0.00 175.17 177.04 3ibg h PRO 96 N 5.95 -0.68 -3.13 8.23 0.11 -1.96 -3.46 132.00 137.06 3ibg h PRO 96 Ca -0.47 0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.53 3ibg h PRO 96 Cb 1.18 0.15 0.06 0.00 0.11 0.00 0.00 31.00 32.51 3ibg h PRO 96 CO 0.69 -0.45 -0.29 0.09 -0.21 0.00 0.00 178.00 177.82 3ibg n ASN 97 N -5.45 -3.30 -4.76 -2.05 5.03 -1.26 -4.68 115.26 98.78 3ibg n ASN 97 Ca -0.09 -0.23 -0.40 0.00 0.87 0.00 0.00 54.58 54.73 3ibg n ASN 97 Cb 0.36 -2.37 -0.04 0.00 -1.02 0.00 0.00 39.78 36.71 3ibg n ASN 97 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3ibg s GLY 98 N -3.25 3.03 0.45 7.41 0.00 -1.26 -3.75 107.32 109.95 3ibg s GLY 98 Ca 0.17 0.95 0.07 0.00 0.00 0.00 0.00 44.72 45.91 3ibg s GLY 98 CO 0.30 1.55 0.62 -1.35 0.00 0.00 0.00 173.10 174.22 3ibg s SER 99 N -0.86 5.56 0.31 1.64 1.04 -1.26 -4.96 113.70 115.16 3ibg s SER 99 Ca 0.47 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.56 3ibg s SER 99 Cb -0.33 -0.67 0.52 0.00 0.10 0.00 0.00 66.02 65.64 3ibg s SER 99 CO 0.42 -0.86 1.89 0.40 0.98 0.00 0.00 173.24 176.07 3ibg h ILE 100 N 0.50 1.20 -0.03 -1.02 2.04 -1.99 -1.49 117.51 116.72 3ibg h ILE 100 Ca -0.40 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 64.80 3ibg h ILE 100 Cb 1.28 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 3ibg h ILE 100 CO 0.46 0.25 0.01 1.56 0.00 0.00 0.00 178.15 180.44 3ibg h GLN 101 N 0.74 0.04 -0.75 2.37 1.08 -1.98 -0.57 115.11 116.03 3ibg h GLN 101 Ca 0.17 -0.01 0.17 0.00 -1.45 0.00 0.00 58.65 57.54 3ibg h GLN 101 Cb 0.19 -0.01 -0.13 0.00 -0.05 0.00 0.00 27.48 27.49 3ibg h GLN 101 CO -0.01 0.15 0.03 -0.44 -0.95 0.00 0.00 178.83 177.62 3ibg h ASP 102 N -0.08 -0.29 0.24 1.46 5.19 -1.77 0.00 116.42 121.17 3ibg h ASP 102 Ca 0.01 0.19 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 3ibg h ASP 102 Cb 0.13 0.32 0.00 0.00 0.18 0.00 0.00 39.33 39.96 3ibg h ASP 102 CO -0.00 -0.16 -0.12 0.25 -3.12 0.00 0.00 179.24 176.09 3ibg h LEU 103 N 0.12 -0.28 -2.15 1.55 5.85 -1.12 -3.02 115.31 116.26 3ibg h LEU 103 Ca 0.42 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 59.00 3ibg h LEU 103 Cb 0.73 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 3ibg h LEU 103 CO -0.64 0.06 0.29 -0.07 -0.34 0.00 0.00 178.44 177.74 3ibg h LEU 104 N -0.64 0.00 0.00 2.25 3.38 -0.31 -2.08 115.31 117.92 3ibg h LEU 104 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ibg h LEU 104 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3ibg h LEU 104 CO 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 178.44 178.49 3ibg n ALA 105 N -2.24 2.48 -1.16 1.53 0.00 -0.09 -5.08 120.51 115.95 3ibg n ALA 105 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3ibg n ALA 105 Cb 0.42 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3ibg n ALA 105 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ibg n SER 106 N -1.80 0.00 0.00 0.00 3.41 -0.79 -5.11 113.62 109.34 3ibg n SER 106 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3ibg n SER 106 Cb 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 3ibg n SER 106 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ibg n GLN 125 N 0.00 0.00 -0.00 4.33 6.02 -1.26 -5.12 117.38 121.35 3ibg n GLN 125 Ca 0.00 0.41 0.08 0.00 -0.01 0.00 0.00 57.00 57.48 3ibg n GLN 125 Cb 0.00 -1.57 -0.10 0.00 1.02 0.00 0.00 30.24 29.59 3ibg n GLN 125 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3ibg n ASP 126 N -1.41 0.84 -1.06 1.08 5.68 -1.26 -4.47 116.55 115.94 3ibg n ASP 126 Ca 0.00 -0.73 0.00 0.00 -0.50 0.00 0.00 54.79 53.56 3ibg n ASP 126 Cb 0.07 1.13 0.00 0.00 -1.14 0.00 0.00 41.12 41.18 3ibg n ASP 126 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3ibg n LEU 127 N -1.51 3.09 -0.03 -2.12 4.32 -1.26 -3.42 117.00 116.06 3ibg n LEU 127 Ca 0.02 -1.51 0.01 0.00 -0.02 0.00 0.00 56.01 54.50 3ibg n LEU 127 Cb 0.29 -0.54 -0.14 0.00 -1.62 0.00 0.00 43.42 41.41 3ibg n LEU 127 CO 0.34 0.53 -0.78 0.00 -1.22 0.00 0.00 177.39 176.25 3ibg n ALA 128 N 0.64 2.10 -1.37 -1.18 0.00 -1.26 -4.17 120.51 115.28 3ibg n ALA 128 Ca 0.00 -0.82 -0.07 0.00 0.00 0.00 0.00 53.44 52.55 3ibg n ALA 128 Cb 0.47 -0.60 0.20 0.00 0.00 0.00 0.00 19.45 19.53 3ibg n ALA 128 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ibg n PHE 129 N -2.60 1.47 0.05 0.00 3.72 -1.22 -4.68 117.46 114.19 3ibg n PHE 129 Ca -0.16 -1.59 -0.02 0.00 -0.05 0.00 0.00 57.45 55.63 3ibg n PHE 129 Cb 0.85 -0.57 -0.08 0.00 -0.94 0.00 0.00 39.48 38.75 3ibg n PHE 129 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3ibg h SER 130 N 1.11 0.00 -3.36 4.37 4.64 -1.78 -3.44 113.55 115.08 3ibg h SER 130 Ca 0.28 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.03 3ibg h SER 130 Cb 1.88 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.91 3ibg h SER 130 CO 0.52 0.71 0.17 -0.63 -0.87 0.00 0.00 176.83 176.73 3ibg s ILE 131 N -2.83 5.00 0.56 0.95 -1.09 -1.26 -4.96 121.20 117.57 3ibg s ILE 131 Ca -0.01 1.45 -0.17 0.00 -2.23 0.00 0.00 60.65 59.68 3ibg s ILE 131 Cb 0.08 -4.05 -0.05 0.00 -1.58 0.00 0.00 42.46 36.87 3ibg s ILE 131 CO 0.80 0.17 1.06 -2.84 -1.23 0.00 0.00 174.94 172.91 3ibg s PRO 132 N 1.33 3.42 0.55 2.79 0.02 -1.26 -5.02 135.00 136.84 3ibg s PRO 132 Ca 0.36 1.32 -0.06 0.00 0.02 0.00 0.00 61.00 62.64 3ibg s PRO 132 Cb -0.17 -2.04 -0.01 0.00 0.02 0.00 0.00 34.50 32.30 3ibg s PRO 132 CO 0.15 -0.74 0.86 0.20 -0.33 0.00 0.00 177.00 177.15 3ibg s GLY 133 N -2.41 1.57 0.43 0.52 0.00 -1.26 -4.93 107.32 101.24 3ibg s GLY 133 Ca 0.66 -0.64 0.12 0.00 0.00 0.00 0.00 44.72 44.86 3ibg s GLY 133 CO 0.31 -0.40 2.00 -2.08 0.00 0.00 0.00 173.10 172.93 3ibg h VAL 134 N -0.04 1.12 -0.16 1.40 2.07 -1.93 -1.52 116.25 117.20 3ibg h VAL 134 Ca -0.46 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 3ibg h VAL 134 Cb 1.24 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 3ibg h VAL 134 CO 0.61 0.16 -0.22 0.44 0.02 0.00 0.00 177.57 178.58 3ibg h ASP 135 N 0.17 0.46 -0.18 0.57 3.32 -1.94 -1.56 116.42 117.26 3ibg h ASP 135 Ca 0.04 -0.52 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 3ibg h ASP 135 Cb 0.23 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3ibg h ASP 135 CO 0.01 0.89 0.07 -0.08 -1.72 0.00 0.00 179.24 178.41 3ibg h GLU 136 N 0.05 0.28 -0.35 3.56 4.81 -1.59 -1.05 114.58 120.28 3ibg h GLU 136 Ca 0.02 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.26 3ibg h GLU 136 Cb 0.78 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.06 3ibg h GLU 136 CO 0.05 0.36 -0.04 0.00 -0.73 0.00 0.00 179.01 178.65 3ibg h ALA 137 N 0.90 0.28 -0.63 2.92 0.00 -1.32 -1.64 119.26 119.77 3ibg h ALA 137 Ca 0.06 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3ibg h ALA 137 Cb 0.19 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3ibg h ALA 137 CO -0.00 -0.43 0.37 0.52 0.00 0.00 0.00 179.25 179.70 3ibg h MET 138 N 0.05 0.68 -0.43 0.00 2.86 -1.07 -1.79 114.93 115.23 3ibg h MET 138 Ca 0.17 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3ibg h MET 138 Cb 0.25 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3ibg h MET 138 CO -0.32 0.45 0.26 1.03 1.06 0.00 0.00 176.91 179.40 3ibg h SER 139 N 0.70 0.51 -0.45 1.22 0.87 -0.50 -0.66 113.55 115.25 3ibg h SER 139 Ca 0.27 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 3ibg h SER 139 Cb 0.09 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3ibg h SER 139 CO -0.14 0.41 0.29 0.15 -0.53 0.00 0.00 176.83 177.02 3ibg h PHE 140 N 0.57 0.58 -0.94 2.24 3.57 -1.09 -1.65 116.94 120.23 3ibg h PHE 140 Ca 0.15 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.78 3ibg h PHE 140 Cb -0.01 -0.19 -0.08 0.00 2.79 0.00 0.00 35.95 38.46 3ibg h PHE 140 CO -0.03 0.38 0.57 0.00 -2.23 0.00 0.00 178.31 176.99 3ibg h ALA 141 N 1.15 1.39 -0.38 2.41 0.00 -0.92 0.50 119.26 123.41 3ibg h ALA 141 Ca 0.17 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3ibg h ALA 141 Cb -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3ibg h ALA 141 CO -0.03 0.16 -0.01 0.93 0.00 0.00 0.00 179.25 180.30 3ibg h GLU 142 N 0.90 0.61 -0.16 0.00 4.39 -0.45 -1.33 114.58 118.54 3ibg h GLU 142 Ca 0.46 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.93 3ibg h GLU 142 Cb 0.46 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3ibg h GLU 142 CO -0.27 0.64 -0.24 0.28 -1.16 0.00 0.00 179.01 178.26 3ibg h VAL 143 N 0.58 1.35 -0.97 3.13 2.07 -0.18 -2.20 116.25 120.03 3ibg h VAL 143 Ca 0.12 -1.47 0.15 0.00 0.82 0.00 0.00 66.70 66.32 3ibg h VAL 143 Cb 0.38 1.92 -0.09 0.00 -1.52 0.00 0.00 31.29 31.98 3ibg h VAL 143 CO 0.01 0.44 0.58 -0.07 0.02 0.00 0.00 177.57 178.56 3ibg h LEU 144 N 0.08 0.79 0.19 2.57 3.38 -0.80 0.14 115.31 121.66 3ibg h LEU 144 Ca 0.01 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3ibg h LEU 144 Cb 0.82 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3ibg h LEU 144 CO 0.06 0.36 -0.23 0.50 0.09 0.00 0.00 178.44 179.21 3ibg h LYS 145 N 0.83 -0.46 -0.22 1.13 3.64 -0.96 -1.53 116.57 119.01 3ibg h LYS 145 Ca 0.52 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.99 3ibg h LYS 145 Cb 0.67 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.52 3ibg h LYS 145 CO -0.33 -0.30 -0.32 1.96 -2.27 0.00 0.00 179.45 178.19 3ibg h GLN 146 N -0.47 -0.34 -1.01 1.90 4.20 -0.72 -2.86 115.11 115.81 3ibg h GLN 146 Ca 0.01 0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.85 3ibg h GLN 146 Cb 0.46 0.08 -0.08 0.00 0.30 0.00 0.00 27.48 28.23 3ibg h GLN 146 CO -0.08 -0.23 0.64 0.28 -0.67 0.00 0.00 178.83 178.77 3ibg h VAL 147 N -0.35 0.95 -0.44 -0.54 2.07 -0.63 -1.21 116.25 116.10 3ibg h VAL 147 Ca 0.12 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 3ibg h VAL 147 Cb 0.54 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3ibg h VAL 147 CO -0.41 0.19 -0.08 0.50 0.02 0.00 0.00 177.57 177.79 3ibg h LYS 148 N 1.03 0.77 -0.89 1.57 3.64 -1.07 -2.70 116.57 118.93 3ibg h LYS 148 Ca 0.49 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3ibg h LYS 148 Cb 0.43 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 3ibg h LYS 148 CO -0.25 0.83 0.54 0.77 -2.27 0.00 0.00 179.45 179.07 3ibg h SER 149 N 0.70 1.06 0.20 4.20 0.02 -1.05 -2.53 113.55 116.14 3ibg h SER 149 Ca 0.13 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3ibg h SER 149 Cb 0.54 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 3ibg h SER 149 CO 0.03 0.81 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.45 3ibg h LEU 150 N 1.22 0.00 -3.01 5.07 3.38 -1.12 -3.47 115.31 117.38 3ibg h LEU 150 Ca 0.32 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.87 3ibg h LEU 150 Cb -0.06 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.78 3ibg h LEU 150 CO -0.06 0.01 -0.93 -1.20 0.09 0.00 0.00 178.44 176.35 3ibg n SER 151 N -3.17 -4.98 -4.75 -0.43 7.64 -0.95 -4.96 113.62 102.02 3ibg n SER 151 Ca -0.02 -0.98 -0.40 0.00 1.01 0.00 0.00 58.87 58.47 3ibg n SER 151 Cb 0.12 -3.55 -0.05 0.00 -1.01 0.00 0.00 64.21 59.72 3ibg n SER 151 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3ibg s TYR 152 N -3.49 3.80 0.13 1.43 2.02 -1.26 -4.99 117.35 114.99 3ibg s TYR 152 Ca 0.43 1.61 -0.25 0.00 -0.37 0.00 0.00 57.07 58.49 3ibg s TYR 152 Cb -0.14 -2.88 -0.03 0.00 -0.40 0.00 0.00 41.96 38.51 3ibg s TYR 152 CO 0.85 0.32 1.64 1.49 -1.57 0.00 0.00 175.55 178.27 3ibg h GLU 153 N 5.29 -0.33 -3.81 -0.62 4.57 -1.91 -3.44 114.58 114.34 3ibg h GLU 153 Ca -0.44 0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 57.61 3ibg h GLU 153 Cb 1.21 0.07 -0.20 0.00 -0.16 0.00 0.00 28.75 29.67 3ibg h GLU 153 CO 0.70 -0.22 -0.60 0.54 -1.18 0.00 0.00 179.01 178.25 3ibg s VAL 154 N -6.07 0.11 -0.13 0.32 0.11 -1.05 -4.74 120.40 108.95 3ibg s VAL 154 Ca -0.15 -0.92 0.02 0.00 -2.93 0.00 0.00 61.98 57.99 3ibg s VAL 154 Cb 0.10 -0.50 0.01 0.00 -1.53 0.00 0.00 36.38 34.46 3ibg s VAL 154 CO 0.66 -0.51 -0.18 -0.63 -3.33 0.00 0.00 175.10 171.11 3ibg s ILE 155 N -1.79 1.78 -0.24 7.04 1.01 0.84 -1.73 121.20 128.11 3ibg s ILE 155 Ca -0.12 -0.80 -0.17 0.00 0.00 0.00 0.00 60.65 59.56 3ibg s ILE 155 Cb -0.07 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 3ibg s ILE 155 CO -0.01 0.50 0.46 -0.69 0.00 0.00 0.00 174.94 175.19 3ibg s VAL 156 N 1.00 5.13 -0.52 2.92 1.01 0.60 -0.97 120.40 129.57 3ibg s VAL 156 Ca -0.05 0.79 -0.14 0.00 0.00 0.00 0.00 61.98 62.58 3ibg s VAL 156 Cb -0.15 -3.78 0.13 0.00 0.00 0.00 0.00 36.38 32.58 3ibg s VAL 156 CO -0.04 0.16 0.46 0.12 0.00 0.00 0.00 175.10 175.80 3ibg s PHE 157 N 1.88 3.30 -0.76 5.22 5.36 -0.43 -1.88 117.98 130.67 3ibg s PHE 157 Ca 0.20 -1.46 -0.26 0.00 -0.96 0.00 0.00 56.93 54.45 3ibg s PHE 157 Cb -0.15 -3.72 0.01 0.00 -0.34 0.00 0.00 43.02 38.82 3ibg s PHE 157 CO 0.09 -1.01 1.52 0.34 -1.46 0.00 0.00 175.22 174.70 3ibg s ASP 158 N 3.33 5.88 0.86 6.13 2.15 0.07 -1.44 116.67 133.67 3ibg s ASP 158 Ca 0.04 -0.42 -0.11 0.00 0.43 0.00 0.00 52.55 52.49 3ibg s ASP 158 Cb -0.29 -2.55 0.11 0.00 -0.30 0.00 0.00 42.92 39.89 3ibg s ASP 158 CO 0.02 -2.01 1.09 0.42 -0.17 0.00 0.00 175.17 174.52 3ibg s THR 159 N 6.90 2.79 -0.12 1.71 -4.23 -0.99 -0.78 115.64 120.92 3ibg s THR 159 Ca 0.48 0.26 -0.27 0.00 -1.18 0.00 0.00 61.69 60.98 3ibg s THR 159 Cb -0.08 -2.81 -0.02 0.00 1.34 0.00 0.00 72.50 70.93 3ibg s THR 159 CO 0.11 -0.34 0.91 0.00 -0.54 0.00 0.00 174.62 174.77 3ibg s ALA 160 N -2.99 3.42 -0.74 3.99 0.00 -1.26 -4.21 121.76 119.97 3ibg s ALA 160 Ca 0.63 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.83 3ibg s ALA 160 Cb -0.17 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3ibg s ALA 160 CO 0.56 -0.54 0.49 -2.30 0.00 0.00 0.00 175.76 173.97 3ibg n PRO 161 N 4.87 0.78 0.00 0.00 -0.02 -1.26 -3.84 135.00 135.52 3ibg n PRO 161 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3ibg n PRO 161 Cb 0.49 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 3ibg n PRO 161 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3ibg n THR 162 N 0.24 0.00 0.79 3.45 -2.24 -1.26 -4.18 114.28 111.08 3ibg n THR 162 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3ibg n THR 162 Cb 0.24 -0.75 0.46 0.00 -2.10 0.00 0.00 70.33 68.19 3ibg n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ibg n GLY 163 N 5.00 -1.57 1.64 3.38 0.00 -1.26 -3.91 105.19 108.46 3ibg n GLY 163 Ca 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 3ibg n GLY 163 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ibg n HIS 164 N -1.91 1.98 -0.29 1.61 8.25 -1.26 -4.76 115.22 118.83 3ibg n HIS 164 Ca 0.06 -2.06 0.10 0.00 -0.26 0.00 0.00 57.72 55.56 3ibg n HIS 164 Cb 0.39 -0.59 0.26 0.00 1.12 0.00 0.00 29.99 31.17 3ibg n HIS 164 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3ibg h THR 165 N 1.41 0.58 -0.47 1.59 2.02 -1.68 -1.49 112.91 114.86 3ibg h THR 165 Ca 0.33 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.35 3ibg h THR 165 Cb 1.45 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3ibg h THR 165 CO 0.70 0.08 0.00 0.18 0.37 0.00 0.00 175.52 176.86 3ibg n LEU 166 N -4.99 5.07 -0.15 2.58 4.77 -1.26 -4.54 117.00 118.48 3ibg n LEU 166 Ca 0.19 -2.93 0.12 0.00 -0.03 0.00 0.00 56.01 53.36 3ibg n LEU 166 Cb 0.55 -0.63 0.46 0.00 -2.33 0.00 0.00 43.42 41.47 3ibg n LEU 166 CO 0.16 0.66 1.20 -0.09 -1.33 0.00 0.00 177.39 177.99 3ibg h ARG 167 N 3.27 0.49 0.00 3.23 2.43 -1.63 -1.36 114.38 120.81 3ibg h ARG 167 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3ibg h ARG 167 Cb 1.77 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.21 3ibg h ARG 167 CO 0.39 0.32 0.00 1.97 -1.51 0.00 0.00 179.97 181.14 3ibg n PHE 168 N -4.48 0.00 1.60 2.20 1.16 -1.26 -1.91 117.46 114.75 3ibg n PHE 168 Ca 0.12 0.00 0.15 0.00 -1.87 0.00 0.00 57.45 55.85 3ibg n PHE 168 Cb 0.41 -0.47 0.81 0.00 -1.61 0.00 0.00 39.48 38.62 3ibg n PHE 168 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3ibg n LEU 169 N -1.47 0.03 0.00 5.98 4.77 -0.51 -2.77 117.00 123.03 3ibg n LEU 169 Ca 0.02 0.18 0.11 0.00 -0.03 0.00 0.00 56.01 56.29 3ibg n LEU 169 Cb 0.09 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 3ibg n LEU 169 CO 0.07 0.01 0.11 0.00 -1.33 0.00 0.00 177.39 176.25 3ibg n GLN 170 N -1.18 0.04 -0.11 3.23 6.02 -0.80 -4.41 117.38 120.17 3ibg n GLN 170 Ca 0.17 -0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.24 3ibg n GLN 170 Cb 0.21 -1.51 0.43 0.00 1.02 0.00 0.00 30.24 30.39 3ibg n GLN 170 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 3ibg h PHE 171 N 0.00 0.57 0.14 1.08 0.04 -1.69 -0.05 116.94 117.03 3ibg h PHE 171 Ca 0.00 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 3ibg h PHE 171 Cb 0.53 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.49 3ibg h PHE 171 CO 0.00 0.30 -0.07 -1.35 -0.60 0.00 0.00 178.31 176.59 3ibg h PRO 172 N 0.56 -0.18 -0.21 1.51 0.11 -1.81 -1.88 132.00 130.10 3ibg h PRO 172 Ca 0.27 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.31 3ibg h PRO 172 Cb 0.36 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 3ibg h PRO 172 CO -0.08 -0.01 -0.27 1.79 -0.21 0.00 0.00 178.00 179.23 3ibg h THR 173 N -0.33 1.26 0.09 -1.15 1.35 -1.75 -1.40 112.91 110.99 3ibg h THR 173 Ca -0.02 -1.26 -0.00 0.00 -0.55 0.00 0.00 66.41 64.58 3ibg h THR 173 Cb 0.26 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 3ibg h THR 173 CO 0.03 0.39 -0.04 0.58 -0.25 0.00 0.00 175.52 176.23 3ibg h VAL 174 N 0.36 0.95 -0.23 6.82 2.07 -0.97 -1.94 116.25 123.30 3ibg h VAL 174 Ca 0.05 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.31 3ibg h VAL 174 Cb 0.66 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3ibg h VAL 174 CO 0.05 0.04 -0.35 -0.07 0.02 0.00 0.00 177.57 177.26 3ibg h LEU 175 N -0.19 0.52 -0.60 2.57 3.38 -1.25 -2.03 115.31 117.71 3ibg h LEU 175 Ca -0.01 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 3ibg h LEU 175 Cb 0.15 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3ibg h LEU 175 CO 0.02 0.83 0.15 -0.33 0.09 0.00 0.00 178.44 179.20 3ibg h GLU 176 N 0.43 0.96 -0.42 1.13 5.08 -1.20 0.29 114.58 120.85 3ibg h GLU 176 Ca 0.05 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 3ibg h GLU 176 Cb 0.81 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3ibg h GLU 176 CO 0.07 0.88 -0.08 0.87 -1.00 0.00 0.00 179.01 179.74 3ibg h LYS 177 N 0.87 0.74 0.43 2.33 1.57 -1.21 -0.79 116.57 120.52 3ibg h LYS 177 Ca 0.19 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3ibg h LYS 177 Cb 0.35 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3ibg h LYS 177 CO 0.00 0.81 -0.21 0.00 -0.57 0.00 0.00 179.45 179.48 3ibg h ALA 178 N 1.23 -0.58 -0.40 3.86 0.00 -1.02 -1.41 119.26 120.94 3ibg h ALA 178 Ca 0.12 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.97 3ibg h ALA 178 Cb 0.54 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3ibg h ALA 178 CO 0.03 -0.73 0.38 1.25 0.00 0.00 0.00 179.25 180.19 3ibg h LEU 179 N -0.78 0.00 0.07 0.00 5.85 -0.24 0.14 115.31 120.35 3ibg h LEU 179 Ca -0.06 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 3ibg h LEU 179 Cb 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3ibg h LEU 179 CO 0.10 0.00 -0.03 0.00 -0.34 0.00 0.00 178.44 178.16 3ibg h ALA 180 N 1.61 -0.09 -0.14 1.25 0.00 -0.93 -1.63 119.26 119.33 3ibg h ALA 180 Ca 0.19 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ibg h ALA 180 Cb 0.95 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3ibg h ALA 180 CO -0.00 -0.14 0.10 -0.22 0.00 0.00 0.00 179.25 178.99 3ibg h LYS 181 N -0.92 0.10 -0.07 0.00 1.63 -0.56 -0.20 116.57 116.54 3ibg h LYS 181 Ca -0.01 -0.01 -0.16 0.00 -0.85 0.00 0.00 60.65 59.63 3ibg h LYS 181 Cb 0.57 -0.02 0.01 0.00 -0.60 0.00 0.00 32.23 32.19 3ibg h LYS 181 CO 0.02 0.06 -0.56 1.25 -3.45 0.00 0.00 179.45 176.76 3ibg h LEU 182 N 0.10 0.62 -0.67 5.20 5.85 -0.79 -2.00 115.31 123.62 3ibg h LEU 182 Ca 0.06 -0.68 -0.11 0.00 0.84 0.00 0.00 57.88 57.99 3ibg h LEU 182 Cb 0.12 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3ibg h LEU 182 CO -0.01 1.20 -0.15 -1.28 -0.34 0.00 0.00 178.44 177.86 3ibg h SER 183 N 0.09 0.88 0.07 1.25 0.87 -0.77 -2.33 113.55 113.61 3ibg h SER 183 Ca -0.05 -0.30 -0.06 0.00 -1.23 0.00 0.00 61.79 60.16 3ibg h SER 183 Cb 1.23 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 3ibg h SER 183 CO 0.11 1.03 -0.17 -0.61 -0.53 0.00 0.00 176.83 176.66 3ibg h GLN 184 N 0.78 0.22 0.00 2.24 4.15 -1.08 -1.33 115.11 120.09 3ibg h GLN 184 Ca 0.12 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3ibg h GLN 184 Cb 0.68 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.34 3ibg h GLN 184 CO 0.05 0.39 0.00 1.28 -1.93 0.00 0.00 178.83 178.62 3ibg n LEU 185 N -4.24 0.39 0.18 -2.39 4.32 -0.75 -3.02 117.00 111.49 3ibg n LEU 185 Ca -0.01 0.56 0.12 0.00 -0.02 0.00 0.00 56.01 56.66 3ibg n LEU 185 Cb 0.30 -0.47 0.14 0.00 -1.62 0.00 0.00 43.42 41.77 3ibg n LEU 185 CO 0.38 -0.24 0.60 -1.28 -1.22 0.00 0.00 177.39 175.64 3ibg h SER 186 N 0.00 0.00 0.00 -1.43 0.87 -0.72 -3.09 113.55 109.18 3ibg h SER 186 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3ibg h SER 186 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 3ibg h SER 186 CO 0.00 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.10 3ibg n SER 187 N -2.90 0.00 -3.36 6.23 7.64 -1.17 -3.68 113.62 116.38 3ibg n SER 187 Ca 0.03 -0.78 -0.39 0.00 1.01 0.00 0.00 58.87 58.74 3ibg n SER 187 Cb 0.53 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.74 3ibg n SER 187 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ibg n GLN 188 N -0.99 4.52 0.00 1.43 3.00 -1.17 -5.16 117.38 119.01 3ibg n GLN 188 Ca 0.18 -4.40 0.00 0.00 -0.01 0.00 0.00 57.00 52.77 3ibg n GLN 188 Cb 0.08 -2.39 0.00 0.00 0.00 0.00 0.00 30.24 27.93 3ibg n GLN 188 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3ibg n PHE 189 N -0.21 0.00 0.00 1.08 -0.00 -1.24 -5.11 117.46 111.98 3ibg n PHE 189 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.92 3ibg n PHE 189 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.76 3ibg n PHE 189 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3ibg n SER 195 N 0.00 0.00 0.28 -2.13 2.88 -1.26 -5.09 113.62 108.29 3ibg n SER 195 Ca 0.00 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.71 3ibg n SER 195 Cb 0.00 0.00 0.93 0.00 -0.75 0.00 0.00 64.21 64.39 3ibg n SER 195 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3ibg h ILE 196 N 0.00 0.40 -0.14 2.46 2.04 -2.04 -2.69 117.51 117.54 3ibg h ILE 196 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 3ibg h ILE 196 Cb 0.00 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3ibg h ILE 196 CO 0.00 0.00 0.11 -0.07 0.00 0.00 0.00 178.15 178.19 3ibg h LEU 197 N 0.00 0.00 0.00 1.44 3.38 -1.96 -3.47 115.31 114.70 3ibg h LEU 197 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ibg h LEU 197 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3ibg h LEU 197 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3ibg n GLY 198 N -1.50 3.01 0.41 0.83 0.00 -1.02 -2.51 105.19 104.41 3ibg n GLY 198 Ca 0.00 -0.21 0.27 0.00 0.00 0.00 0.00 46.02 46.08 3ibg n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibg h ALA 199 N -0.79 2.33 -0.11 4.61 0.00 -1.93 0.62 119.26 124.00 3ibg h ALA 199 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ibg h ALA 199 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ibg h ALA 199 CO 0.00 -0.85 0.00 0.54 0.00 0.00 0.00 179.25 178.94 3ibg n ARG 200 N -4.72 1.36 -0.66 0.00 1.74 -1.04 -3.53 116.66 109.81 3ibg n ARG 200 Ca 0.30 -0.55 0.07 0.00 -0.77 0.00 0.00 57.85 56.90 3ibg n ARG 200 Cb 1.07 -1.28 0.32 0.00 -1.02 0.00 0.00 32.46 31.55 3ibg n ARG 200 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ibg n GLY 201 N 0.90 3.65 0.00 -0.13 0.00 0.22 -4.98 105.19 104.85 3ibg n GLY 201 Ca 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3ibg n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibg n GLY 202 N -0.08 0.21 3.75 -0.02 0.00 -1.23 -4.94 105.19 102.88 3ibg n GLY 202 Ca 0.25 -1.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 3ibg n GLY 202 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ibg s LEU 203 N 0.00 4.64 0.27 0.99 1.43 -1.26 -5.02 118.68 119.72 3ibg s LEU 203 Ca 0.00 1.92 -0.29 0.00 -1.03 0.00 0.00 54.13 54.73 3ibg s LEU 203 Cb 0.00 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.54 3ibg s LEU 203 CO 0.00 0.15 1.22 -2.84 0.23 0.00 0.00 176.35 175.11 3ibg s PRO 204 N -1.11 4.48 0.00 1.29 0.02 -1.26 -1.79 135.00 136.63 3ibg s PRO 204 Ca 0.41 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3ibg s PRO 204 Cb -0.26 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.10 3ibg s PRO 204 CO 0.32 -0.05 0.00 0.41 -0.33 0.00 0.00 177.00 177.34 3ibg n GLY 205 N 1.45 2.91 1.83 0.52 0.00 -1.26 -4.66 105.19 105.99 3ibg n GLY 205 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3ibg n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibg n GLY 206 N -1.09 0.77 3.73 -0.02 0.00 -0.74 -5.01 105.19 102.83 3ibg n GLY 206 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3ibg n GLY 206 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ibg s GLN 207 N -0.29 4.28 -0.48 1.61 1.11 -1.26 -4.94 119.66 119.69 3ibg s GLN 207 Ca 0.00 2.25 -0.15 0.00 0.01 0.00 0.00 55.36 57.47 3ibg s GLN 207 Cb 0.00 -3.15 0.08 0.00 -1.01 0.00 0.00 33.01 28.93 3ibg s GLN 207 CO 0.00 -0.44 0.40 1.21 0.01 0.00 0.00 175.29 176.46 3ibg s ASN 208 N 0.64 6.10 0.11 5.90 3.84 -1.26 -4.47 114.94 125.80 3ibg s ASN 208 Ca 0.62 -1.41 -0.27 0.00 0.21 0.00 0.00 52.86 52.01 3ibg s ASN 208 Cb -0.41 -2.17 -0.10 0.00 -0.55 0.00 0.00 41.25 38.03 3ibg s ASN 208 CO 0.38 -0.66 1.64 0.40 -2.79 0.00 0.00 177.10 176.07 3ibg h ILE 209 N 5.81 0.46 0.00 -5.21 2.04 -1.99 -0.80 117.51 117.82 3ibg h ILE 209 Ca -0.28 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 3ibg h ILE 209 Cb 1.11 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3ibg h ILE 209 CO 0.89 0.00 -0.01 0.44 0.00 0.00 0.00 178.15 179.47 3ibg h ASP 210 N -0.48 0.00 0.94 1.72 3.32 -1.97 0.13 116.42 120.08 3ibg h ASP 210 Ca 0.02 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.88 3ibg h ASP 210 Cb 0.48 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3ibg h ASP 210 CO -0.11 0.01 -1.14 -0.08 -1.72 0.00 0.00 179.24 176.20 3ibg h GLU 211 N 0.00 0.00 0.02 3.56 4.81 -1.70 -3.32 114.58 117.95 3ibg h GLU 211 Ca -0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 3ibg h GLU 211 Cb 0.09 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 3ibg h GLU 211 CO 0.00 0.59 -1.58 -0.07 -0.73 0.00 0.00 179.01 177.22 3ibg h LEU 212 N 0.00 0.06 -2.61 1.64 3.38 -0.01 -3.25 115.31 114.52 3ibg h LEU 212 Ca -0.11 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3ibg h LEU 212 Cb 1.68 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.41 3ibg h LEU 212 CO 0.08 1.10 0.12 0.25 0.09 0.00 0.00 178.44 180.09 3ibg h LEU 213 N 0.01 0.00 0.00 1.67 5.85 -0.89 -0.18 115.31 121.77 3ibg h LEU 213 Ca -0.24 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.40 3ibg h LEU 213 Cb 1.97 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.99 3ibg h LEU 213 CO 0.10 0.00 -0.46 1.56 -0.34 0.00 0.00 178.44 179.29 3ibg h GLN 214 N 0.00 0.00 -0.96 1.25 4.20 -1.65 -2.58 115.11 115.38 3ibg h GLN 214 Ca 0.00 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 3ibg h GLN 214 Cb 0.25 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.95 3ibg h GLN 214 CO 0.00 0.78 0.60 0.87 -0.67 0.00 0.00 178.83 180.41 3ibg h LYS 215 N -1.00 0.96 -0.23 1.46 1.57 -1.48 0.10 116.57 117.96 3ibg h LYS 215 Ca -0.12 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.52 3ibg h LYS 215 Cb 0.93 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 3ibg h LYS 215 CO -0.07 0.64 -0.21 1.98 -0.57 0.00 0.00 179.45 181.22 3ibg h MET 216 N 0.99 0.54 -0.69 3.15 4.05 -1.18 -0.15 114.93 121.65 3ibg h MET 216 Ca 0.46 -0.28 -0.04 0.00 -0.28 0.00 0.00 59.70 59.56 3ibg h MET 216 Cb 0.37 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.15 3ibg h MET 216 CO -0.24 0.86 0.28 1.49 0.23 0.00 0.00 176.91 179.54 3ibg h GLU 217 N 0.24 1.02 -0.26 0.39 4.22 -1.06 -0.44 114.58 118.69 3ibg h GLU 217 Ca 0.04 -0.18 -0.12 0.00 0.08 0.00 0.00 59.36 59.18 3ibg h GLU 217 Cb 0.75 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3ibg h GLU 217 CO 0.05 0.85 -0.33 1.03 -2.18 0.00 0.00 179.01 178.43 3ibg h SER 218 N 0.98 0.56 0.79 1.04 0.87 -0.67 -1.45 113.55 115.67 3ibg h SER 218 Ca 0.23 -0.22 -0.20 0.00 -1.23 0.00 0.00 61.79 60.37 3ibg h SER 218 Cb 0.20 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 3ibg h SER 218 CO -0.02 0.86 -0.93 -0.07 -0.53 0.00 0.00 176.83 176.13 3ibg h LEU 219 N 0.46 0.11 -0.59 2.23 3.38 -0.85 -2.66 115.31 117.39 3ibg h LEU 219 Ca 0.05 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 3ibg h LEU 219 Cb 0.80 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3ibg h LEU 219 CO 0.07 0.98 -0.12 -0.09 0.09 0.00 0.00 178.44 179.37 3ibg h ARG 220 N 0.04 1.00 -0.43 1.13 2.43 -0.86 -0.51 114.38 117.18 3ibg h ARG 220 Ca -0.03 -0.37 -0.08 0.00 -0.81 0.00 0.00 59.98 58.69 3ibg h ARG 220 Cb 1.61 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.09 3ibg h ARG 220 CO 0.13 1.05 -0.05 1.49 -1.51 0.00 0.00 179.97 181.08 3ibg h GLU 221 N 0.89 0.79 -0.44 0.20 4.81 -1.27 0.30 114.58 119.84 3ibg h GLU 221 Ca 0.14 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 3ibg h GLU 221 Cb 0.68 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 3ibg h GLU 221 CO 0.05 0.88 0.18 1.15 -0.73 0.00 0.00 179.01 180.54 3ibg h THR 222 N 0.62 1.20 -0.47 0.32 2.02 -1.36 -1.06 112.91 114.18 3ibg h THR 222 Ca 0.11 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 3ibg h THR 222 Cb 0.56 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3ibg h THR 222 CO 0.03 0.23 0.16 0.40 0.37 0.00 0.00 175.52 176.72 3ibg h ILE 223 N 0.58 1.22 -0.68 3.11 1.08 -0.91 -2.81 117.51 119.10 3ibg h ILE 223 Ca 0.15 -0.72 -0.07 0.00 -0.39 0.00 0.00 64.86 63.83 3ibg h ILE 223 Cb 0.19 0.80 -0.03 0.00 -3.07 0.00 0.00 36.82 34.72 3ibg h ILE 223 CO -0.01 0.26 0.16 0.28 -0.69 0.00 0.00 178.15 178.15 3ibg h SER 224 N 0.63 1.04 0.39 1.72 0.02 -0.23 -1.19 113.55 115.93 3ibg h SER 224 Ca 0.15 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3ibg h SER 224 Cb 0.25 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 3ibg h SER 224 CO -0.01 1.01 -0.47 -0.33 -1.14 0.00 0.00 176.83 175.89 3ibg h GLU 225 N 1.03 -0.85 -0.26 3.45 5.08 -1.13 -2.04 114.58 119.85 3ibg h GLU 225 Ca 0.21 0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3ibg h GLU 225 Cb 0.38 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3ibg h GLU 225 CO 0.00 -0.57 0.16 0.28 -1.00 0.00 0.00 179.01 177.88 3ibg h VAL 226 N -0.89 1.07 -0.22 3.13 2.07 -1.38 -2.18 116.25 117.87 3ibg h VAL 226 Ca -0.04 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.19 3ibg h VAL 226 Cb 0.80 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3ibg h VAL 226 CO -0.11 0.08 -0.36 -1.13 0.02 0.00 0.00 177.57 176.07 3ibg h ASN 227 N 0.35 0.69 1.11 0.57 -0.73 -0.92 -0.90 115.58 115.76 3ibg h ASN 227 Ca 0.09 -0.53 0.00 0.00 1.87 0.00 0.00 56.30 57.74 3ibg h ASN 227 Cb -0.02 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.38 3ibg h ASN 227 CO -0.02 1.09 0.00 0.35 -0.37 0.00 0.00 177.43 178.48 3ibg n THR 228 N -4.27 0.62 0.00 -3.57 -2.24 -0.79 -2.24 114.28 101.79 3ibg n THR 228 Ca -0.05 -0.05 -0.17 0.00 -2.27 0.00 0.00 64.05 61.50 3ibg n THR 228 Cb 0.51 -0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 67.85 3ibg n THR 228 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3ibg h GLN 229 N 0.00 0.45 -0.86 -0.78 4.20 -1.16 -3.14 115.11 113.82 3ibg h GLN 229 Ca 0.00 -0.46 0.15 0.00 0.06 0.00 0.00 58.65 58.40 3ibg h GLN 229 Cb 0.56 0.12 -0.10 0.00 0.30 0.00 0.00 27.48 28.36 3ibg h GLN 229 CO 0.00 1.11 0.44 0.74 -0.67 0.00 0.00 178.83 180.44 3ibg h PHE 230 N -0.02 0.76 -0.01 2.96 -1.00 -0.71 -1.26 116.94 117.66 3ibg h PHE 230 Ca -0.07 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.74 3ibg h PHE 230 Cb 1.31 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 40.66 3ibg h PHE 230 CO 0.14 0.16 0.00 1.63 -1.61 0.00 0.00 178.31 178.63 3ibg n LYS 231 N -4.88 1.07 -3.48 1.51 5.02 -0.95 -4.47 118.16 111.97 3ibg n LYS 231 Ca 0.18 -0.10 -0.43 0.00 -2.02 0.00 0.00 58.31 55.94 3ibg n LYS 231 Cb 0.46 -1.44 -0.10 0.00 -0.02 0.00 0.00 35.03 33.93 3ibg n LYS 231 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3ibg s ASN 232 N -1.87 6.01 0.56 4.39 3.84 -0.47 -4.87 114.94 122.52 3ibg s ASN 232 Ca 0.41 -1.08 0.26 0.00 0.21 0.00 0.00 52.86 52.66 3ibg s ASN 232 Cb 0.19 -2.13 1.52 0.00 -0.55 0.00 0.00 41.25 40.28 3ibg s ASN 232 CO 0.32 -0.50 2.06 -0.65 -2.79 0.00 0.00 177.10 175.54 3ibg h PRO 233 N 8.61 0.00 0.00 0.43 0.11 -1.82 0.10 132.00 139.43 3ibg h PRO 233 Ca -0.27 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 3ibg h PRO 233 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3ibg h PRO 233 CO 0.76 0.00 -0.35 -0.44 -0.21 0.00 0.00 178.00 177.76 3ibg h ASP 234 N 0.00 0.00 0.00 -2.05 3.32 -1.93 -3.32 116.42 112.45 3ibg h ASP 234 Ca 0.14 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.99 3ibg h ASP 234 Cb 0.65 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.16 3ibg h ASP 234 CO -0.00 0.35 -1.84 0.23 -1.72 0.00 0.00 179.24 176.26 3ibg n MET 235 N -3.70 1.65 -3.93 3.56 2.81 0.09 -3.13 117.12 114.47 3ibg n MET 235 Ca -0.01 -0.03 -0.20 0.00 -1.81 0.00 0.00 57.70 55.66 3ibg n MET 235 Cb 0.45 -1.33 -0.17 0.00 -0.71 0.00 0.00 33.22 31.46 3ibg n MET 235 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3ibg s THR 236 N -2.42 0.31 0.09 2.03 2.01 0.12 -0.63 115.64 117.15 3ibg s THR 236 Ca -0.06 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.02 3ibg s THR 236 Cb 0.05 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 3ibg s THR 236 CO 0.53 0.20 -0.07 0.28 -0.69 0.00 0.00 174.62 174.88 3ibg s THR 237 N 1.34 0.67 -0.10 -0.82 -1.32 -1.01 -4.24 115.64 110.16 3ibg s THR 237 Ca -0.05 -1.85 0.04 0.00 -1.21 0.00 0.00 61.69 58.62 3ibg s THR 237 Cb -0.13 -1.58 0.00 0.00 -1.51 0.00 0.00 72.50 69.28 3ibg s THR 237 CO -0.02 -0.83 -0.23 0.12 -2.21 0.00 0.00 174.62 171.44 3ibg s PHE 238 N -3.42 2.52 -0.28 9.09 5.36 -0.10 -1.67 117.98 129.48 3ibg s PHE 238 Ca 0.10 -1.04 -0.05 0.00 -0.96 0.00 0.00 56.93 54.97 3ibg s PHE 238 Cb 0.04 -1.69 0.01 0.00 -0.34 0.00 0.00 43.02 41.04 3ibg s PHE 238 CO -0.04 -0.42 0.03 0.08 -1.46 0.00 0.00 175.22 173.41 3ibg s VAL 239 N 0.37 3.65 0.37 3.12 1.01 -0.63 -3.85 120.40 124.44 3ibg s VAL 239 Ca -0.18 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 60.88 3ibg s VAL 239 Cb -0.18 -2.86 -0.09 0.00 0.00 0.00 0.00 36.38 33.25 3ibg s VAL 239 CO 0.08 0.14 0.81 0.00 0.00 0.00 0.00 175.10 176.13 3ibg s VAL 241 N -2.12 1.30 0.19 0.00 1.01 -0.05 -0.07 120.40 120.67 3ibg s VAL 241 Ca 0.56 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 61.41 3ibg s VAL 241 Cb -0.10 -1.13 0.05 0.00 0.00 0.00 0.00 36.38 35.20 3ibg s VAL 241 CO 0.18 0.19 0.60 0.00 0.00 0.00 0.00 175.10 176.07 3ibg s ILE 243 N -3.82 3.51 -1.28 0.00 1.01 -1.26 -0.60 121.20 118.76 3ibg s ILE 243 Ca 0.05 -0.52 -0.06 0.00 0.00 0.00 0.00 60.65 60.12 3ibg s ILE 243 Cb -0.02 -3.31 0.16 0.00 0.01 0.00 0.00 42.46 39.30 3ibg s ILE 243 CO -0.06 -0.23 2.15 0.00 0.00 0.00 0.00 174.94 176.80 3ibg n ALA 244 N -2.21 6.25 -2.55 9.38 0.00 -1.26 -4.31 120.51 125.81 3ibg n ALA 244 Ca 0.04 -4.23 -0.25 0.00 0.00 0.00 0.00 53.44 48.99 3ibg n ALA 244 Cb 0.58 -2.77 -0.10 0.00 0.00 0.00 0.00 19.45 17.17 3ibg n ALA 244 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ibg s GLU 245 N -1.04 1.85 -0.02 0.00 0.41 -1.26 -4.79 118.70 113.85 3ibg s GLU 245 Ca 0.47 -2.06 -0.21 0.00 -0.41 0.00 0.00 54.97 52.76 3ibg s GLU 245 Cb 0.15 -1.17 -0.14 0.00 -1.78 0.00 0.00 34.13 31.20 3ibg s GLU 245 CO -0.06 -0.19 0.92 0.35 -0.49 0.00 0.00 175.26 175.79 3ibg h PHE 246 N 1.88 -0.42 -0.39 1.61 3.57 -1.99 -2.35 116.94 118.85 3ibg h PHE 246 Ca -0.42 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.19 3ibg h PHE 246 Cb 1.25 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 40.12 3ibg h PHE 246 CO 0.84 -0.09 0.45 -0.07 -2.23 0.00 0.00 178.31 177.20 3ibg h LEU 247 N -0.96 0.00 0.09 0.59 3.38 -1.98 0.21 115.31 116.64 3ibg h LEU 247 Ca -0.05 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.63 3ibg h LEU 247 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3ibg h LEU 247 CO 0.08 0.00 -1.55 -1.28 0.09 0.00 0.00 178.44 175.77 3ibg h SER 248 N 0.00 0.29 -0.57 -0.43 0.87 -1.86 -2.72 113.55 109.13 3ibg h SER 248 Ca 0.18 -0.80 0.03 0.00 -1.23 0.00 0.00 61.79 59.98 3ibg h SER 248 Cb 1.08 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.91 3ibg h SER 248 CO -0.00 1.66 0.38 -0.07 -0.53 0.00 0.00 176.83 178.27 3ibg h LEU 249 N -0.37 0.57 0.49 2.23 4.07 -0.70 0.10 115.31 121.72 3ibg h LEU 249 Ca -0.35 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.58 3ibg h LEU 249 Cb 1.73 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 43.34 3ibg h LEU 249 CO -0.00 0.39 -0.24 0.22 -1.08 0.00 0.00 178.44 177.74 3ibg h TYR 250 N 0.66 -0.62 -0.39 1.13 3.20 -0.76 -2.50 116.97 117.70 3ibg h TYR 250 Ca 0.23 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.20 3ibg h TYR 250 Cb 0.09 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3ibg h TYR 250 CO -0.00 -0.31 0.35 1.49 -1.64 0.00 0.00 178.16 178.05 3ibg h GLU 251 N -1.07 0.00 0.03 1.82 4.57 -1.27 -1.49 114.58 117.17 3ibg h GLU 251 Ca -0.07 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3ibg h GLU 251 Cb 0.58 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 3ibg h GLU 251 CO 0.11 0.00 -0.01 1.15 -1.18 0.00 0.00 179.01 179.08 3ibg h THR 252 N 0.00 1.36 -0.13 0.32 2.02 -0.71 -1.89 112.91 113.88 3ibg h THR 252 Ca 0.19 -1.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.07 3ibg h THR 252 Cb 0.88 2.20 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 3ibg h THR 252 CO -0.00 0.32 -0.07 1.05 0.37 0.00 0.00 175.52 177.19 3ibg h GLU 253 N -0.59 0.20 -0.48 6.66 4.11 -0.96 -1.51 114.58 122.01 3ibg h GLU 253 Ca -0.00 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.35 3ibg h GLU 253 Cb 0.55 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3ibg h GLU 253 CO 0.01 0.29 0.12 -0.09 0.07 0.00 0.00 179.01 179.41 3ibg h ARG 254 N 0.20 0.76 0.00 1.06 2.43 -1.25 -1.98 114.38 115.60 3ibg h ARG 254 Ca 0.04 -0.18 -0.15 0.00 -0.81 0.00 0.00 59.98 58.89 3ibg h ARG 254 Cb 0.26 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3ibg h ARG 254 CO 0.01 0.74 -0.72 1.98 -1.51 0.00 0.00 179.97 180.47 3ibg h MET 255 N 0.64 0.00 -0.07 0.20 4.05 -0.80 -2.75 114.93 116.20 3ibg h MET 255 Ca 0.15 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.42 3ibg h MET 255 Cb 0.31 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 3ibg h MET 255 CO 0.00 0.72 -0.63 0.82 0.23 0.00 0.00 176.91 178.04 3ibg h ILE 256 N 0.00 1.39 -0.08 1.77 2.04 -1.20 -1.56 117.51 119.88 3ibg h ILE 256 Ca -0.01 -2.04 -0.00 0.00 1.00 0.00 0.00 64.86 63.81 3ibg h ILE 256 Cb 1.29 2.04 -0.00 0.00 -0.74 0.00 0.00 36.82 39.41 3ibg h ILE 256 CO 0.09 0.60 0.03 1.56 0.00 0.00 0.00 178.15 180.44 3ibg h GLN 257 N 0.19 0.12 -0.40 2.37 4.20 -1.19 0.70 115.11 121.09 3ibg h GLN 257 Ca -0.01 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 3ibg h GLN 257 Cb 1.15 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.90 3ibg h GLN 257 CO 0.10 0.25 0.02 1.49 -0.67 0.00 0.00 178.83 180.02 3ibg h GLU 258 N -0.04 0.63 -0.18 1.46 4.81 -1.44 -1.63 114.58 118.19 3ibg h GLU 258 Ca 0.03 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 3ibg h GLU 258 Cb 0.18 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3ibg h GLU 258 CO -0.00 0.64 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.81 3ibg h LEU 259 N 0.60 0.34 -1.58 1.64 3.38 -1.07 -2.29 115.31 116.33 3ibg h LEU 259 Ca 0.13 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.77 3ibg h LEU 259 Cb 0.35 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3ibg h LEU 259 CO 0.01 0.62 0.32 0.74 0.09 0.00 0.00 178.44 180.23 3ibg h THR 260 N 0.06 1.05 -0.06 0.22 2.02 -0.60 -1.22 112.91 114.38 3ibg h THR 260 Ca 0.05 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 3ibg h THR 260 Cb 0.47 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3ibg h THR 260 CO 0.02 0.10 -0.03 0.77 0.37 0.00 0.00 175.52 176.74 3ibg h SER 261 N 0.54 0.13 0.34 4.18 4.64 -1.12 -2.65 113.55 119.61 3ibg h SER 261 Ca 0.20 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3ibg h SER 261 Cb 0.11 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3ibg h SER 261 CO -0.05 0.52 0.00 -1.22 -0.87 0.00 0.00 176.83 175.21 3ibg n TYR 262 N -4.79 0.59 -0.54 4.77 4.01 -0.88 -4.85 117.16 115.48 3ibg n TYR 262 Ca -0.07 0.27 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 3ibg n TYR 262 Cb 0.25 -0.93 0.00 0.00 -0.31 0.00 0.00 39.34 38.35 3ibg n TYR 262 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ibg n GLY 263 N -0.67 0.67 3.65 2.72 0.00 -0.79 -4.93 105.19 105.84 3ibg n GLY 263 Ca 0.01 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 3ibg n GLY 263 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ibg s ILE 264 N -2.00 5.21 0.38 -0.61 1.01 -0.53 -4.57 121.20 120.09 3ibg s ILE 264 Ca 0.00 0.59 -0.28 0.00 0.00 0.00 0.00 60.65 60.96 3ibg s ILE 264 Cb 0.00 -3.69 -0.11 0.00 0.01 0.00 0.00 42.46 38.67 3ibg s ILE 264 CO 0.00 0.24 1.48 -0.67 0.00 0.00 0.00 174.94 175.98 3ibg n ASP 265 N 4.70 3.74 -3.71 3.58 2.03 -1.26 -4.26 116.55 121.37 3ibg n ASP 265 Ca -0.09 1.23 -0.11 0.00 0.52 0.00 0.00 54.79 56.33 3ibg n ASP 265 Cb 0.51 -1.61 -0.11 0.00 -0.72 0.00 0.00 41.12 39.19 3ibg n ASP 265 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3ibg s THR 266 N -1.12 -0.02 0.00 5.18 -1.32 -1.26 -0.92 115.64 116.17 3ibg s THR 266 Ca 0.53 0.08 0.03 0.00 -1.21 0.00 0.00 61.69 61.12 3ibg s THR 266 Cb -0.48 -0.56 0.05 0.00 -1.51 0.00 0.00 72.50 69.99 3ibg s THR 266 CO 0.64 0.03 0.79 0.00 -2.21 0.00 0.00 174.62 173.87 3ibg n HIS 267 N 3.95 0.00 -3.67 9.09 1.44 -1.25 -4.97 115.22 119.81 3ibg n HIS 267 Ca -0.21 -0.17 -0.10 0.00 -2.01 0.00 0.00 57.72 55.23 3ibg n HIS 267 Cb 0.55 0.20 -0.10 0.00 0.12 0.00 0.00 29.99 30.76 3ibg n HIS 267 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3ibg s ALA 268 N 0.00 -1.05 -0.15 1.59 0.00 -1.26 -1.27 121.76 119.62 3ibg s ALA 268 Ca 0.04 1.45 0.02 0.00 0.00 0.00 0.00 51.96 53.46 3ibg s ALA 268 Cb 0.04 -1.14 0.01 0.00 0.00 0.00 0.00 23.12 22.03 3ibg s ALA 268 CO -0.02 -0.56 -0.21 0.42 0.00 0.00 0.00 175.76 175.38 3ibg s ILE 269 N 2.15 2.10 -0.34 0.00 1.01 0.05 -1.45 121.20 124.72 3ibg s ILE 269 Ca -0.04 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 59.49 3ibg s ILE 269 Cb -0.11 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 3ibg s ILE 269 CO -0.12 0.55 0.39 -0.69 0.00 0.00 0.00 174.94 175.06 3ibg s VAL 270 N 0.90 5.14 -0.52 2.92 1.01 0.90 -1.56 120.40 129.19 3ibg s VAL 270 Ca -0.05 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.90 3ibg s VAL 270 Cb -0.15 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 32.48 3ibg s VAL 270 CO -0.04 -0.09 0.55 -0.69 0.00 0.00 0.00 175.10 174.83 3ibg s VAL 271 N 2.08 5.03 0.60 2.92 1.01 0.06 -1.18 120.40 130.93 3ibg s VAL 271 Ca 0.13 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 3ibg s VAL 271 Cb -0.16 -4.30 0.04 0.00 0.00 0.00 0.00 36.38 31.96 3ibg s VAL 271 CO 0.12 -0.83 0.86 0.21 0.00 0.00 0.00 175.10 175.45 3ibg s ASN 272 N 3.07 5.12 -1.45 3.32 2.47 0.23 -1.98 114.94 125.72 3ibg s ASN 272 Ca 0.09 0.14 -0.03 0.00 0.42 0.00 0.00 52.86 53.48 3ibg s ASN 272 Cb -0.24 -0.95 0.01 0.00 -1.45 0.00 0.00 41.25 38.63 3ibg s ASN 272 CO 0.07 -1.30 0.24 0.00 -3.72 0.00 0.00 177.10 172.40 3ibg n GLN 273 N -2.54 -2.98 -2.66 0.43 6.02 -1.15 -4.38 117.38 110.13 3ibg n GLN 273 Ca 0.08 0.79 -0.36 0.00 -0.01 0.00 0.00 57.00 57.51 3ibg n GLN 273 Cb 0.60 -5.50 -0.05 0.00 1.02 0.00 0.00 30.24 26.30 3ibg n GLN 273 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ibg s LEU 274 N -6.17 4.11 -0.05 1.08 1.43 -0.42 -4.23 118.68 114.42 3ibg s LEU 274 Ca 0.14 1.90 -0.14 0.00 -1.03 0.00 0.00 54.13 55.01 3ibg s LEU 274 Cb -0.07 -4.27 -0.05 0.00 0.03 0.00 0.00 46.19 41.83 3ibg s LEU 274 CO 0.18 -0.40 0.35 -0.76 0.23 0.00 0.00 176.35 175.95 3ibg s LEU 275 N -2.72 4.41 0.28 1.79 1.43 -1.26 -0.30 118.68 122.31 3ibg s LEU 275 Ca 0.58 0.81 0.11 0.00 -1.03 0.00 0.00 54.13 54.60 3ibg s LEU 275 Cb -0.18 -2.48 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 3ibg s LEU 275 CO 0.23 0.28 -0.14 -0.36 0.23 0.00 0.00 176.35 176.59 3ibg s PHE 276 N -0.73 2.41 0.44 0.29 0.08 -1.26 -5.01 117.98 114.21 3ibg s PHE 276 Ca 0.21 -0.31 -0.25 0.00 0.12 0.00 0.00 56.93 56.71 3ibg s PHE 276 Cb -0.15 -1.07 -0.08 0.00 -0.57 0.00 0.00 43.02 41.15 3ibg s PHE 276 CO 0.10 0.68 1.31 -2.14 -0.10 0.00 0.00 175.22 175.08 3ibg s PRO 277 N -3.56 3.75 0.00 0.24 0.02 -1.26 -5.14 135.00 129.04 3ibg s PRO 277 Ca 0.31 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.49 3ibg s PRO 277 Cb -0.05 -2.60 0.00 0.00 0.02 0.00 0.00 34.50 31.86 3ibg s PRO 277 CO 0.17 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 3ibg n GLY 282 N 0.63 0.26 3.11 0.52 0.00 -1.26 -5.15 105.19 103.30 3ibg n GLY 282 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3ibg n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibg h GLU 284 N 7.86 -0.06 0.00 0.00 4.81 -2.07 -3.26 114.58 121.87 3ibg h GLU 284 Ca -0.18 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 3ibg h GLU 284 Cb 1.05 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 3ibg h GLU 284 CO 0.51 0.47 -0.03 0.37 -0.73 0.00 0.00 179.01 179.60 3ibg h GLN 285 N -0.62 0.00 -0.02 1.92 4.15 -2.01 -0.10 115.11 118.42 3ibg h GLN 285 Ca -0.01 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.28 3ibg h GLN 285 Cb 0.55 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 3ibg h GLN 285 CO 0.01 0.03 -0.59 0.00 -1.93 0.00 0.00 178.83 176.35 3ibg h ASN 287 N 0.06 0.94 0.20 0.00 2.35 -1.05 -2.30 115.58 115.77 3ibg h ASN 287 Ca -0.01 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3ibg h ASN 287 Cb 1.05 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 3ibg h ASN 287 CO 0.08 0.76 -0.15 0.00 -1.65 0.00 0.00 177.43 176.47 3ibg h ALA 288 N 1.21 -0.34 -0.36 -0.83 0.00 -1.40 -1.30 119.26 116.24 3ibg h ALA 288 Ca 0.26 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.22 3ibg h ALA 288 Cb 0.04 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ibg h ALA 288 CO -0.04 -0.71 0.39 -0.09 0.00 0.00 0.00 179.25 178.80 3ibg h ARG 289 N -0.36 0.00 0.11 0.00 9.65 -1.40 0.13 114.38 122.51 3ibg h ARG 289 Ca -0.01 0.00 -0.27 0.00 -1.10 0.00 0.00 59.98 58.60 3ibg h ARG 289 Cb 0.32 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.90 3ibg h ARG 289 CO -0.01 0.00 -1.23 -0.09 2.80 0.00 0.00 179.97 181.44 3ibg h ARG 290 N 0.00 0.23 0.00 0.20 2.43 -0.72 -3.05 114.38 113.47 3ibg h ARG 290 Ca 0.17 -0.39 -0.03 0.00 -0.81 0.00 0.00 59.98 58.92 3ibg h ARG 290 Cb 0.94 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3ibg h ARG 290 CO -0.00 1.18 -0.13 0.87 -1.51 0.00 0.00 179.97 180.37 3ibg h LYS 291 N 0.06 0.00 -0.20 0.20 1.57 0.32 -1.37 116.57 117.15 3ibg h LYS 291 Ca -0.12 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.51 3ibg h LYS 291 Cb 1.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.26 3ibg h LYS 291 CO 0.19 0.13 -0.46 0.52 -0.57 0.00 0.00 179.45 179.26 3ibg h MET 292 N 0.00 0.66 -0.58 3.15 2.86 -1.45 -2.90 114.93 116.66 3ibg h MET 292 Ca -0.00 -0.45 0.03 0.00 -2.06 0.00 0.00 59.70 57.22 3ibg h MET 292 Cb 0.24 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 3ibg h MET 292 CO 0.02 1.07 0.35 1.96 1.06 0.00 0.00 176.91 181.36 3ibg h GLN 293 N 0.35 0.66 -0.66 1.72 4.20 -1.33 -1.97 115.11 118.08 3ibg h GLN 293 Ca -0.00 -0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.78 3ibg h GLN 293 Cb 1.07 -0.15 -0.08 0.00 0.30 0.00 0.00 27.48 28.62 3ibg h GLN 293 CO 0.10 0.44 0.24 -0.22 -0.67 0.00 0.00 178.83 178.72 3ibg h LYS 294 N 0.68 0.39 0.71 1.46 3.64 -1.23 0.41 116.57 122.64 3ibg h LYS 294 Ca 0.24 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3ibg h LYS 294 Cb 0.05 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3ibg h LYS 294 CO -0.11 0.26 -0.34 0.87 -2.27 0.00 0.00 179.45 177.86 3ibg h LYS 295 N 0.41 -0.92 -0.69 1.90 1.57 -1.23 -0.26 116.57 117.34 3ibg h LYS 295 Ca 0.35 0.06 0.11 0.00 -1.87 0.00 0.00 60.65 59.30 3ibg h LYS 295 Cb 0.48 0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 3ibg h LYS 295 CO -0.36 -0.61 0.46 1.88 -0.57 0.00 0.00 179.45 180.26 3ibg h TYR 296 N -0.99 0.55 -0.02 -1.35 0.05 -0.90 -2.03 116.97 112.27 3ibg h TYR 296 Ca -0.10 0.02 -0.18 0.00 0.05 0.00 0.00 58.73 58.52 3ibg h TYR 296 Cb 0.74 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 3ibg h TYR 296 CO -0.02 0.25 -0.77 1.25 -1.05 0.00 0.00 178.16 177.83 3ibg h LEU 297 N 0.51 0.25 -0.47 3.88 5.85 0.12 -2.15 115.31 123.30 3ibg h LEU 297 Ca 0.32 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 3ibg h LEU 297 Cb 0.57 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3ibg h LEU 297 CO -0.10 0.92 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.55 3ibg h GLU 298 N 0.13 0.86 -0.08 1.25 5.08 -0.37 -1.21 114.58 120.24 3ibg h GLU 298 Ca -0.03 -0.29 0.04 0.00 -1.00 0.00 0.00 59.36 58.08 3ibg h GLU 298 Cb 1.34 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 3ibg h GLU 298 CO 0.12 0.92 -0.25 1.96 -1.00 0.00 0.00 179.01 180.76 3ibg h GLN 299 N 0.71 -0.33 -0.61 2.33 4.20 -1.21 -1.06 115.11 119.14 3ibg h GLN 299 Ca 0.13 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.88 3ibg h GLN 299 Cb 0.56 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 3ibg h GLN 299 CO 0.03 -0.22 0.39 0.82 -0.67 0.00 0.00 178.83 179.18 3ibg h ILE 300 N -0.34 1.11 0.00 2.54 2.04 -1.30 0.16 117.51 121.72 3ibg h ILE 300 Ca 0.08 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3ibg h ILE 300 Cb 0.46 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3ibg h ILE 300 CO -0.27 0.14 -0.04 -0.33 0.00 0.00 0.00 178.15 177.65 3ibg h GLU 301 N 0.78 0.00 0.00 2.37 4.39 -0.91 -1.76 114.58 119.44 3ibg h GLU 301 Ca 0.24 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.85 3ibg h GLU 301 Cb -0.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3ibg h GLU 301 CO -0.08 0.04 -0.64 1.49 -1.16 0.00 0.00 179.01 178.66 3ibg h GLU 302 N 0.00 0.00 -0.68 2.33 4.81 0.28 -3.30 114.58 118.02 3ibg h GLU 302 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3ibg h GLU 302 Cb 0.14 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 3ibg h GLU 302 CO 0.01 0.58 0.44 -0.07 -0.73 0.00 0.00 179.01 179.23 3ibg h LEU 303 N -1.00 0.78 -5.41 1.64 3.38 -0.75 -3.20 115.31 110.76 3ibg h LEU 303 Ca -0.14 -0.03 -0.70 0.00 0.09 0.00 0.00 57.88 57.10 3ibg h LEU 303 Cb 0.84 -0.20 -0.34 0.00 0.09 0.00 0.00 40.66 41.05 3ibg h LEU 303 CO -0.08 0.58 0.25 -1.22 0.09 0.00 0.00 178.44 178.05 3ibg n TYR 304 N -4.60 3.30 0.13 1.13 4.01 -0.67 -4.71 117.16 115.75 3ibg n TYR 304 Ca 0.06 -3.02 0.03 0.00 -0.16 0.00 0.00 57.90 54.80 3ibg n TYR 304 Cb 0.02 -0.79 0.41 0.00 -0.31 0.00 0.00 39.34 38.67 3ibg n TYR 304 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3ibg h GLU 305 N 3.31 0.21 -0.01 -0.72 4.81 -1.63 -1.93 114.58 118.63 3ibg h GLU 305 Ca 0.39 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 3ibg h GLU 305 Cb 0.42 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3ibg h GLU 305 CO 1.07 0.35 0.00 -0.25 -0.73 0.00 0.00 179.01 179.45 3ibg n ASP 306 N -4.29 0.18 -4.82 1.04 8.00 -1.26 -4.79 116.55 110.61 3ibg n ASP 306 Ca -0.01 -1.14 -0.29 0.00 0.71 0.00 0.00 54.79 54.06 3ibg n ASP 306 Cb 0.26 -0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.30 3ibg n ASP 306 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ibg s PHE 307 N -1.99 3.25 -0.27 1.24 0.08 -0.73 -4.93 117.98 114.64 3ibg s PHE 307 Ca 0.43 0.08 -0.29 0.00 0.12 0.00 0.00 56.93 57.26 3ibg s PHE 307 Cb 0.20 -1.61 -0.00 0.00 -0.57 0.00 0.00 43.02 41.04 3ibg s PHE 307 CO 0.34 0.53 1.29 -0.80 -0.10 0.00 0.00 175.22 176.48 3ibg s ASN 308 N -2.70 6.74 -0.55 1.36 0.01 -0.40 -4.85 114.94 114.56 3ibg s ASN 308 Ca 0.31 1.33 -0.09 0.00 -0.71 0.00 0.00 52.86 53.70 3ibg s ASN 308 Cb -0.12 -2.54 0.14 0.00 0.41 0.00 0.00 41.25 39.15 3ibg s ASN 308 CO 0.24 -1.00 0.42 -0.69 -1.51 0.00 0.00 177.10 174.56 3ibg s VAL 309 N 4.16 4.30 0.06 1.60 1.01 -1.26 -0.77 120.40 129.50 3ibg s VAL 309 Ca 0.56 -2.09 -0.26 0.00 0.00 0.00 0.00 61.98 60.19 3ibg s VAL 309 Cb -0.18 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 3ibg s VAL 309 CO 0.21 -0.83 0.80 -0.69 0.00 0.00 0.00 175.10 174.59 3ibg s VAL 310 N 0.95 4.69 -0.22 2.92 1.01 -0.60 -4.44 120.40 124.71 3ibg s VAL 310 Ca 0.09 1.71 -0.04 0.00 0.00 0.00 0.00 61.98 63.73 3ibg s VAL 310 Cb -0.23 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 3ibg s VAL 310 CO -0.02 0.36 -0.02 -0.13 0.00 0.00 0.00 175.10 175.28 3ibg s ARG 311 N -0.05 3.43 -0.08 2.72 0.52 -1.26 -0.76 118.95 123.46 3ibg s ARG 311 Ca 0.40 -0.60 0.01 0.00 -0.52 0.00 0.00 55.73 55.03 3ibg s ARG 311 Cb -0.21 -3.06 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 3ibg s ARG 311 CO 0.24 -0.19 -0.11 -1.64 0.02 0.00 0.00 175.30 173.63 3ibg s MET 312 N 1.47 2.85 0.37 3.54 -1.94 -0.84 -4.42 119.30 120.33 3ibg s MET 312 Ca 0.06 -0.63 -0.23 0.00 -1.71 0.00 0.00 55.69 53.18 3ibg s MET 312 Cb -0.14 -2.55 -0.10 0.00 2.01 0.00 0.00 34.83 34.05 3ibg s MET 312 CO -0.02 0.53 0.93 -2.14 -0.01 0.00 0.00 175.02 174.31 3ibg s PRO 313 N -0.47 4.38 -0.05 2.03 0.02 -1.26 -1.31 135.00 138.35 3ibg s PRO 313 Ca 0.06 1.18 -0.30 0.00 0.02 0.00 0.00 61.00 61.97 3ibg s PRO 313 Cb -0.12 -2.51 -0.06 0.00 0.02 0.00 0.00 34.50 31.84 3ibg s PRO 313 CO 0.02 0.14 1.62 -1.17 -0.33 0.00 0.00 177.00 177.27 3ibg s LEU 314 N -2.60 4.32 0.35 -5.54 2.96 0.58 -4.38 118.68 114.38 3ibg s LEU 314 Ca 0.55 2.22 -0.03 0.00 -0.22 0.00 0.00 54.13 56.65 3ibg s LEU 314 Cb -0.14 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 3ibg s LEU 314 CO 0.18 -0.90 0.60 -0.76 -1.32 0.00 0.00 176.35 174.15 3ibg s LEU 315 N 3.79 3.96 0.41 -0.68 1.43 -1.26 -4.94 118.68 121.38 3ibg s LEU 315 Ca 0.72 0.64 0.21 0.00 -1.03 0.00 0.00 54.13 54.67 3ibg s LEU 315 Cb -0.33 -3.51 0.29 0.00 0.03 0.00 0.00 46.19 42.67 3ibg s LEU 315 CO 0.29 -0.31 1.58 0.58 0.23 0.00 0.00 176.35 178.71 3ibg h VAL 316 N 0.88 0.17 -3.84 -1.59 2.07 -2.04 -3.45 116.25 108.46 3ibg h VAL 316 Ca -0.48 -1.24 -0.60 0.00 0.82 0.00 0.00 66.70 65.19 3ibg h VAL 316 Cb 1.20 2.08 -0.21 0.00 -1.52 0.00 0.00 31.29 32.85 3ibg h VAL 316 CO 0.63 0.10 -0.84 -1.61 0.02 0.00 0.00 177.57 175.87 3ibg s GLU 317 N -3.16 1.25 0.40 1.57 2.02 -1.26 -5.11 118.70 114.40 3ibg s GLU 317 Ca 0.06 -1.26 -0.25 0.00 0.02 0.00 0.00 54.97 53.54 3ibg s GLU 317 Cb 0.05 -1.58 -0.11 0.00 0.10 0.00 0.00 34.13 32.60 3ibg s GLU 317 CO 0.68 0.36 1.02 0.39 0.02 0.00 0.00 175.26 177.74 3ibg n GLU 318 N 0.93 1.38 -2.41 1.61 1.02 -1.26 -4.86 120.64 117.05 3ibg n GLU 318 Ca -0.18 0.49 -0.43 0.00 -0.02 0.00 0.00 57.16 57.02 3ibg n GLU 318 Cb 0.54 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 3ibg n GLU 318 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ibg n VAL 319 N -0.36 4.21 -0.09 2.62 0.31 -1.26 -4.68 118.33 119.09 3ibg n VAL 319 Ca 0.09 -4.30 -0.15 0.00 -0.01 0.00 0.00 64.34 59.97 3ibg n VAL 319 Cb 0.38 -2.41 -0.05 0.00 -0.91 0.00 0.00 33.84 30.85 3ibg n VAL 319 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3ibg n ARG 320 N 4.69 0.44 -0.70 5.55 0.63 -1.26 -4.68 116.66 121.32 3ibg n ARG 320 Ca 0.41 0.19 -0.33 0.00 -0.92 0.00 0.00 57.85 57.20 3ibg n ARG 320 Cb 0.38 -1.26 0.16 0.00 0.45 0.00 0.00 32.46 32.19 3ibg n ARG 320 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ibg n GLY 321 N 1.75 -2.51 0.23 5.14 0.00 -1.26 -4.33 105.19 104.22 3ibg n GLY 321 Ca -0.27 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 3ibg n GLY 321 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ibg h LYS 322 N -1.96 0.76 -0.44 1.61 3.64 -1.87 -1.75 116.57 116.57 3ibg h LYS 322 Ca -0.52 -0.54 -0.10 0.00 -1.27 0.00 0.00 60.65 58.21 3ibg h LYS 322 Cb 1.36 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.25 3ibg h LYS 322 CO 0.37 1.17 -0.14 1.05 -2.27 0.00 0.00 179.45 179.62 3ibg h GLU 323 N 0.56 0.81 -0.19 1.90 4.11 -1.99 0.06 114.58 119.83 3ibg h GLU 323 Ca -0.02 -0.29 -0.20 0.00 0.07 0.00 0.00 59.36 58.92 3ibg h GLU 323 Cb 1.25 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.45 3ibg h GLU 323 CO 0.13 0.91 -0.66 0.87 0.07 0.00 0.00 179.01 180.34 3ibg h LYS 324 N 0.73 0.79 -0.47 1.06 1.57 -1.90 -2.04 116.57 116.31 3ibg h LYS 324 Ca 0.11 -0.59 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 3ibg h LYS 324 Cb 0.65 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 3ibg h LYS 324 CO 0.05 1.20 0.25 -0.07 -0.57 0.00 0.00 179.45 180.31 3ibg h LEU 325 N 0.52 0.57 0.65 2.94 3.38 -1.15 -0.51 115.31 121.70 3ibg h LEU 325 Ca -0.03 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3ibg h LEU 325 Cb 1.28 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.89 3ibg h LEU 325 CO 0.14 0.47 -0.31 -0.08 0.09 0.00 0.00 178.44 178.74 3ibg h GLU 326 N 0.65 -0.84 -1.00 1.13 4.57 -0.85 -0.75 114.58 117.49 3ibg h GLU 326 Ca 0.17 0.06 0.20 0.00 -1.18 0.00 0.00 59.36 58.60 3ibg h GLU 326 Cb 0.03 0.19 -0.11 0.00 -0.16 0.00 0.00 28.75 28.70 3ibg h GLU 326 CO -0.03 -0.52 0.61 -0.22 -1.18 0.00 0.00 179.01 177.67 3ibg h LYS 327 N -1.14 0.71 -0.27 1.92 1.63 -1.23 0.65 116.57 118.85 3ibg h LYS 327 Ca -0.09 -0.04 -0.14 0.00 -0.85 0.00 0.00 60.65 59.53 3ibg h LYS 327 Cb 0.70 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 3ibg h LYS 327 CO 0.15 0.47 -0.42 0.35 -3.45 0.00 0.00 179.45 176.55 3ibg h PHE 328 N 0.73 0.79 0.00 1.91 3.57 -1.08 -3.14 116.94 119.73 3ibg h PHE 328 Ca 0.58 -0.24 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 3ibg h PHE 328 Cb 0.95 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 3ibg h PHE 328 CO -0.00 0.97 -0.15 0.66 -2.23 0.00 0.00 178.31 177.56 3ibg h SER 329 N 0.54 0.00 0.29 0.41 4.64 0.67 -2.58 113.55 117.52 3ibg h SER 329 Ca 0.04 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 3ibg h SER 329 Cb 0.95 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 3ibg h SER 329 CO 0.09 0.15 -0.24 -0.33 -0.87 0.00 0.00 176.83 175.62 3ibg h GLU 330 N 0.00 0.00 0.00 4.77 4.39 -1.32 -2.32 114.58 120.10 3ibg h GLU 330 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ibg h GLU 330 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3ibg h GLU 330 CO 0.02 0.24 0.00 -1.33 -1.16 0.00 0.00 179.01 176.78 3ibg n MET 331 N -4.13 0.50 0.12 2.33 2.81 -0.97 -1.12 117.12 116.65 3ibg n MET 331 Ca -0.02 0.02 0.13 0.00 -1.81 0.00 0.00 57.70 56.02 3ibg n MET 331 Cb 0.30 -1.50 0.36 0.00 -0.71 0.00 0.00 33.22 31.68 3ibg n MET 331 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3ibg h LEU 332 N 0.00 0.00 0.00 4.03 3.38 -1.55 -3.36 115.31 117.81 3ibg h LEU 332 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ibg h LEU 332 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3ibg h LEU 332 CO 0.00 0.00 -0.40 0.55 0.09 0.00 0.00 178.44 178.68 3ibg n VAL 333 N -2.37 0.00 -3.75 1.22 3.14 -0.97 -0.88 118.33 114.71 3ibg n VAL 333 Ca 0.05 -0.17 -0.30 0.00 -2.96 0.00 0.00 64.34 60.96 3ibg n VAL 333 Cb 0.44 0.66 -0.15 0.00 -1.06 0.00 0.00 33.84 33.74 3ibg n VAL 333 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 3ibg s HIS 334 N -1.15 1.93 0.08 1.45 3.76 -0.27 -4.87 115.29 116.21 3ibg s HIS 334 Ca 0.00 -1.94 -0.37 0.00 -0.15 0.00 0.00 55.06 52.60 3ibg s HIS 334 Cb 0.00 -1.84 -0.18 0.00 1.11 0.00 0.00 32.58 31.67 3ibg s HIS 334 CO 0.00 -0.87 1.12 -2.30 -0.85 0.00 0.00 174.74 171.83 3ibg n PRO 335 N 4.62 0.55 -2.09 8.40 -0.02 -1.26 -4.36 135.00 140.84 3ibg n PRO 335 Ca 0.00 0.20 -0.38 0.00 -2.02 0.00 0.00 63.50 61.30 3ibg n PRO 335 Cb 0.41 -1.69 0.01 0.00 -0.02 0.00 0.00 33.50 32.20 3ibg n PRO 335 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3ibg s TYR 336 N 0.02 2.68 -0.06 6.00 5.04 -1.26 -5.05 117.35 124.71 3ibg s TYR 336 Ca 0.83 1.47 -0.05 0.00 -2.44 0.00 0.00 57.07 56.89 3ibg s TYR 336 Cb -1.07 -3.54 0.02 0.00 0.35 0.00 0.00 41.96 37.73 3ibg s TYR 336 CO 0.53 -2.00 0.15 0.14 -1.34 0.00 0.00 175.55 173.03 3ibg s VAL 337 N -1.45 -0.01 0.00 3.14 -7.23 -1.26 -5.11 120.40 108.48 3ibg s VAL 337 Ca 0.66 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.88 3ibg s VAL 337 Cb -0.33 -0.23 0.00 0.00 0.56 0.00 0.00 36.38 36.38 3ibg s VAL 337 CO 0.40 0.02 0.00 -2.65 -0.31 0.00 0.00 175.10 172.56