#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 0.54 0.62 3.23 -1.94 -1.26 -5.14 119.30 115.36 3ibg s MET 13 Ca 0.00 -1.16 -0.18 0.00 -1.71 0.00 0.00 55.69 52.65 3ibg s MET 13 Cb 0.00 -1.44 -0.12 0.00 2.01 0.00 0.00 34.83 35.29 3ibg s MET 13 CO 0.00 -1.13 0.04 -0.85 -0.01 0.00 0.00 175.02 173.07 3ibg n GLU 14 N 4.40 0.16 -1.09 2.03 0.00 -1.26 -4.52 120.64 120.36 3ibg n GLU 14 Ca 0.05 0.07 -0.28 0.00 0.00 0.00 0.00 57.16 57.00 3ibg n GLU 14 Cb 0.39 -1.30 -0.07 0.00 0.00 0.00 0.00 31.44 30.46 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 0.90 2.87 -3.88 3.44 -0.02 -1.26 -4.34 135.00 132.70 3ibg n PRO 15 Ca 0.08 -1.68 -0.11 0.00 -2.02 0.00 0.00 63.50 59.76 3ibg n PRO 15 Cb 0.49 -2.48 -0.10 0.00 -0.02 0.00 0.00 33.50 31.39 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 2.07 0.09 -0.89 3.45 2.01 -1.26 -4.41 115.64 116.70 3ibg s THR 16 Ca 0.62 -0.73 0.07 0.00 0.31 0.00 0.00 61.69 61.96 3ibg s THR 16 Cb 0.20 -0.48 0.36 0.00 0.01 0.00 0.00 72.50 72.59 3ibg s THR 16 CO -0.04 -0.40 1.10 0.18 -0.69 0.00 0.00 174.62 174.77 3ibg n LEU 17 N 1.37 2.92 -0.19 4.42 4.77 0.05 -4.35 117.00 126.00 3ibg n LEU 17 Ca -0.22 -1.48 -0.05 0.00 -0.03 0.00 0.00 56.01 54.23 3ibg n LEU 17 Cb 0.56 -0.52 0.12 0.00 -2.33 0.00 0.00 43.42 41.25 3ibg n LEU 17 CO 0.21 0.43 0.96 -0.61 -1.33 0.00 0.00 177.39 177.04 3ibg h GLN 18 N 1.84 0.97 0.00 3.23 4.15 -1.89 -2.26 115.11 121.14 3ibg h GLN 18 Ca 0.00 -0.22 -0.00 0.00 0.77 0.00 0.00 58.65 59.20 3ibg h GLN 18 Cb 1.05 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.60 3ibg h GLN 18 CO 0.19 0.87 -0.01 0.66 -1.93 0.00 0.00 178.83 178.61 3ibg h SER 19 N 0.93 0.00 0.02 -0.69 4.64 -1.97 -1.42 113.55 115.05 3ibg h SER 19 Ca 0.20 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.49 3ibg h SER 19 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3ibg h SER 19 CO 0.00 0.01 -0.10 0.40 -0.87 0.00 0.00 176.83 176.27 3ibg h ILE 20 N 0.00 1.76 -0.24 0.95 2.04 -1.75 -3.23 117.51 117.04 3ibg h ILE 20 Ca -0.00 -2.37 0.07 0.00 1.00 0.00 0.00 64.86 63.56 3ibg h ILE 20 Cb 0.02 3.37 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 3ibg h ILE 20 CO 0.00 0.62 0.20 -0.07 0.00 0.00 0.00 178.15 178.91 3ibg h LEU 21 N -0.92 0.00 -0.02 1.44 3.38 -1.14 -1.04 115.31 117.01 3ibg h LEU 21 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3ibg h LEU 21 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3ibg h LEU 21 CO 0.02 0.00 -0.05 0.28 0.09 0.00 0.00 178.44 178.78 3ibg h SER 22 N 0.00 0.00 -3.34 -0.43 0.02 -1.35 -3.43 113.55 105.01 3ibg h SER 22 Ca 0.12 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.50 3ibg h SER 22 Cb 0.52 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.00 3ibg h SER 22 CO -0.00 0.05 1.02 -1.10 -1.14 0.00 0.00 176.83 175.65 3ibg s GLN 23 N -3.19 3.68 0.00 3.45 -0.21 -0.40 -4.86 119.66 118.13 3ibg s GLN 23 Ca 0.07 0.92 0.26 0.00 0.02 0.00 0.00 55.36 56.63 3ibg s GLN 23 Cb 0.05 -3.97 0.72 0.00 1.00 0.00 0.00 33.01 30.81 3ibg s GLN 23 CO 0.68 -1.43 1.55 1.63 -2.12 0.00 0.00 175.29 175.59 3ibg n LYS 24 N 7.86 1.42 0.04 2.91 5.02 -1.26 -3.61 118.16 130.53 3ibg n LYS 24 Ca 0.15 -0.93 0.12 0.00 -2.02 0.00 0.00 58.31 55.63 3ibg n LYS 24 Cb 0.48 -1.48 0.14 0.00 -0.02 0.00 0.00 35.03 34.14 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 0.02 0.22 -1.88 -0.18 -2.24 -1.26 -4.90 114.28 104.06 3ibg n THR 25 Ca 0.15 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 3ibg n THR 25 Cb 0.40 0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 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 -3.86 4.37 -0.00 3.22 1.43 -1.19 -4.33 118.68 118.32 3ibg s LEU 26 Ca 0.06 2.75 0.00 0.00 -1.03 0.00 0.00 54.13 55.92 3ibg s LEU 26 Cb 0.15 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.75 3ibg s LEU 26 CO 0.74 -0.84 0.00 0.54 0.23 0.00 0.00 176.35 177.03 3ibg n ARG 27 N 3.10 3.82 -4.07 1.70 1.74 0.21 -4.73 116.66 118.43 3ibg n ARG 27 Ca 0.11 -0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.87 3ibg n ARG 27 Cb 0.38 -1.00 -0.16 0.00 -1.02 0.00 0.00 32.46 30.66 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 -2.00 2.87 -0.30 -1.55 0.52 -0.08 0.08 118.94 118.48 3ibg s TRP 28 Ca -0.00 -1.87 0.03 0.00 0.02 0.00 0.00 56.10 54.28 3ibg s TRP 28 Cb 0.00 -1.86 0.08 0.00 -1.15 0.00 0.00 33.47 30.54 3ibg s TRP 28 CO 0.00 -0.82 -0.02 0.42 0.02 0.00 0.00 176.95 176.55 3ibg s ILE 29 N 1.25 2.29 0.41 2.03 1.01 0.11 -2.14 121.20 126.16 3ibg s ILE 29 Ca -0.01 -1.97 -0.23 0.00 0.00 0.00 0.00 60.65 58.44 3ibg s ILE 29 Cb -0.16 -2.52 -0.10 0.00 0.01 0.00 0.00 42.46 39.69 3ibg s ILE 29 CO -0.09 -0.32 1.00 -0.36 0.00 0.00 0.00 174.94 175.17 3ibg s PHE 30 N 1.02 3.32 -0.09 3.97 0.08 -0.24 -0.64 117.98 125.39 3ibg s PHE 30 Ca 0.01 1.65 -0.01 0.00 0.12 0.00 0.00 56.93 58.71 3ibg s PHE 30 Cb -0.20 -3.00 0.03 0.00 -0.57 0.00 0.00 43.02 39.27 3ibg s PHE 30 CO -0.06 -0.36 -0.05 0.08 -0.10 0.00 0.00 175.22 174.73 3ibg s VAL 31 N -1.84 0.74 0.05 -0.44 1.01 -0.73 -0.56 120.40 118.63 3ibg s VAL 31 Ca 0.59 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 3ibg s VAL 31 Cb -0.17 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3ibg s VAL 31 CO 0.22 0.32 -0.02 -0.83 0.00 0.00 0.00 175.10 174.78 3ibg s GLY 32 N 1.70 0.46 0.00 4.51 0.00 -0.65 -2.25 107.32 111.09 3ibg s GLY 32 Ca 0.03 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.55 3ibg s GLY 32 CO -0.06 -1.31 0.00 0.61 0.00 0.00 0.00 173.10 172.35 3ibg n GLY 33 N 0.10 2.05 3.79 0.20 0.00 -1.26 -0.10 105.19 109.97 3ibg n GLY 33 Ca -0.14 0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.32 3.42 0.00 1.61 2.20 -1.26 -4.61 119.74 120.77 3ibg s LYS 34 Ca 0.00 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.37 3ibg s LYS 34 Cb 0.00 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 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 2.30 0.91 3.34 5.54 0.00 -1.26 -4.44 105.19 111.58 3ibg n GLY 35 Ca -0.19 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.24 -0.38 0.26 -0.02 0.00 -1.26 -4.88 105.19 98.66 3ibg n GLY 36 Ca 0.00 0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.72 0.00 0.00 1.61 0.24 -1.26 -4.88 118.33 109.32 3ibg n VAL 37 Ca 0.00 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 3ibg n VAL 37 Cb 0.56 0.18 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 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 1.22 1.99 0.15 7.63 0.00 -1.26 -4.69 105.19 110.23 3ibg n GLY 38 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.23 -0.47 1.61 3.64 -1.90 -1.74 116.57 117.49 3ibg h LYS 39 Ca 0.00 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3ibg h LYS 39 Cb 0.00 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3ibg h LYS 39 CO 0.00 -0.15 0.28 1.15 -2.27 0.00 0.00 179.45 178.46 3ibg h THR 40 N -0.24 1.05 -0.95 1.00 2.02 -1.94 -0.70 112.91 113.14 3ibg h THR 40 Ca 0.01 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 67.03 3ibg h THR 40 Cb 0.24 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 3ibg h THR 40 CO -0.05 0.10 0.62 0.74 0.37 0.00 0.00 175.52 177.31 3ibg h THR 41 N 0.56 1.18 -0.27 3.16 2.02 -1.92 -1.88 112.91 115.75 3ibg h THR 41 Ca 0.19 -0.42 -0.14 0.00 0.77 0.00 0.00 66.41 66.81 3ibg h THR 41 Cb 0.02 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.28 3ibg h THR 41 CO -0.09 0.22 -0.42 0.74 0.37 0.00 0.00 175.52 176.35 3ibg h THR 42 N 1.21 1.30 -0.41 3.16 2.02 -0.72 -1.09 112.91 118.37 3ibg h THR 42 Ca 0.37 -1.60 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 3ibg h THR 42 Cb -0.02 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 3ibg h THR 42 CO -0.11 0.51 0.24 0.28 0.37 0.00 0.00 175.52 176.81 3ibg h SER 43 N 0.53 0.51 -0.15 4.18 0.02 -0.57 0.81 113.55 118.89 3ibg h SER 43 Ca 0.04 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3ibg h SER 43 Cb 0.95 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 3ibg h SER 43 CO 0.09 0.44 -0.03 0.00 -1.14 0.00 0.00 176.83 176.18 3ibg h SER 45 N -0.01 0.85 -0.03 0.00 0.02 -1.03 0.17 113.55 113.52 3ibg h SER 45 Ca 0.04 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 3ibg h SER 45 Cb 0.46 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3ibg h SER 45 CO 0.01 0.57 -0.27 0.25 -1.14 0.00 0.00 176.83 176.26 3ibg h LEU 46 N 1.00 0.47 0.01 5.07 5.85 -0.84 -1.98 115.31 124.90 3ibg h LEU 46 Ca 0.34 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3ibg h LEU 46 Cb 0.07 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3ibg h LEU 46 CO -0.14 0.73 -0.01 0.00 -0.34 0.00 0.00 178.44 178.69 3ibg h ALA 47 N 1.31 -0.02 -0.46 1.25 0.00 -0.61 -1.72 119.26 119.00 3ibg h ALA 47 Ca 0.06 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.83 3ibg h ALA 47 Cb 0.69 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 3ibg h ALA 47 CO 0.05 -0.29 0.05 0.82 0.00 0.00 0.00 179.25 179.89 3ibg h ILE 48 N -0.47 0.70 0.00 0.00 2.04 -0.68 -0.51 117.51 118.59 3ibg h ILE 48 Ca -0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3ibg h ILE 48 Cb 0.45 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3ibg h ILE 48 CO 0.00 0.03 0.00 -0.61 0.00 0.00 0.00 178.15 177.57 3ibg h GLN 49 N 0.17 0.00 0.04 2.37 5.75 -1.33 -2.45 115.11 119.66 3ibg h GLN 49 Ca 0.23 0.00 -0.25 0.00 -0.15 0.00 0.00 58.65 58.48 3ibg h GLN 49 Cb 0.32 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 3ibg h GLN 49 CO -0.34 0.00 -1.26 -0.07 -2.65 0.00 0.00 178.83 174.51 3ibg h LEU 50 N 0.00 0.14 -1.96 -2.39 3.38 -0.21 -3.28 115.31 110.98 3ibg h LEU 50 Ca 0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3ibg h LEU 50 Cb 0.46 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3ibg h LEU 50 CO 0.00 1.14 -0.09 0.00 0.09 0.00 0.00 178.44 179.58 3ibg h ALA 51 N 0.84 1.65 0.00 1.53 0.00 -0.65 0.29 119.26 122.92 3ibg h ALA 51 Ca -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3ibg h ALA 51 Cb 1.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.67 3ibg h ALA 51 CO 0.14 0.11 0.00 0.87 0.00 0.00 0.00 179.25 180.37 3ibg h LYS 52 N 0.00 0.00 0.00 0.00 1.57 -1.61 -3.34 116.57 113.19 3ibg h LYS 52 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ibg h LYS 52 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 3ibg h LYS 52 CO 0.01 0.00 -1.02 0.28 -0.57 0.00 0.00 179.45 178.15 3ibg n VAL 53 N -2.95 0.01 -4.16 0.50 0.31 -0.61 -5.05 118.33 106.38 3ibg n VAL 53 Ca 0.02 -0.01 -0.23 0.00 -0.01 0.00 0.00 64.34 64.10 3ibg n VAL 53 Cb 0.35 -0.30 -0.06 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 -2.01 2.72 0.08 5.55 1.81 0.94 -5.05 118.95 122.99 3ibg s ARG 54 Ca -0.00 -1.11 -0.28 0.00 -1.72 0.00 0.00 55.73 52.62 3ibg s ARG 54 Cb 0.00 -2.47 -0.17 0.00 -0.45 0.00 0.00 34.95 31.87 3ibg s ARG 54 CO 0.01 0.41 1.68 -0.22 -0.68 0.00 0.00 175.30 176.51 3ibg h LYS 55 N 1.88 -0.44 -3.31 3.54 3.64 -1.86 -3.43 116.57 116.59 3ibg h LYS 55 Ca -0.47 0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 58.78 3ibg h LYS 55 Cb 1.23 0.10 -0.23 0.00 -0.41 0.00 0.00 32.23 32.92 3ibg h LYS 55 CO 0.61 -0.29 -0.45 -1.54 -2.27 0.00 0.00 179.45 175.51 3ibg s SER 56 N -4.79 -0.11 -0.10 4.20 1.04 -1.26 -4.79 113.70 107.88 3ibg s SER 56 Ca -0.15 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.40 3ibg s SER 56 Cb 0.05 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.51 3ibg s SER 56 CO 0.64 -0.25 -0.10 -0.69 0.98 0.00 0.00 173.24 173.82 3ibg s VAL 57 N -0.71 1.13 -0.19 5.02 1.01 0.60 -2.37 120.40 124.89 3ibg s VAL 57 Ca -0.08 -0.39 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 3ibg s VAL 57 Cb -0.05 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 3ibg s VAL 57 CO 0.01 0.38 0.12 -0.22 0.00 0.00 0.00 175.10 175.39 3ibg s LEU 58 N 1.38 4.15 -0.44 3.92 2.96 -0.53 -1.03 118.68 129.07 3ibg s LEU 58 Ca -0.01 0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 54.08 3ibg s LEU 58 Cb -0.14 -2.06 0.12 0.00 0.50 0.00 0.00 46.19 44.61 3ibg s LEU 58 CO -0.05 0.20 0.26 -0.22 -1.32 0.00 0.00 176.35 175.22 3ibg s LEU 59 N 0.25 5.38 -0.06 -0.68 2.96 0.25 -0.99 118.68 125.79 3ibg s LEU 59 Ca 0.08 -2.07 -0.06 0.00 -0.22 0.00 0.00 54.13 51.86 3ibg s LEU 59 Cb -0.11 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 3ibg s LEU 59 CO -0.01 -0.57 0.18 0.27 -1.32 0.00 0.00 176.35 174.90 3ibg s ILE 60 N 1.10 5.45 -0.11 6.68 -4.36 -0.93 -0.95 121.20 128.07 3ibg s ILE 60 Ca 0.08 0.10 0.01 0.00 -0.26 0.00 0.00 60.65 60.58 3ibg s ILE 60 Cb -0.23 -3.48 0.02 0.00 1.25 0.00 0.00 42.46 40.02 3ibg s ILE 60 CO -0.03 0.49 -0.13 -0.55 0.24 0.00 0.00 174.94 174.96 3ibg s SER 61 N -1.42 2.33 0.00 4.36 0.15 -0.56 -0.60 113.70 117.96 3ibg s SER 61 Ca 0.21 -0.39 0.25 0.00 0.70 0.00 0.00 55.95 56.72 3ibg s SER 61 Cb -0.12 -1.01 0.46 0.00 -1.71 0.00 0.00 66.02 63.64 3ibg s SER 61 CO 0.11 -0.03 1.38 0.41 1.20 0.00 0.00 173.24 176.31 3ibg n THR 62 N 4.43 0.00 -2.00 6.45 -1.04 -0.35 -1.71 114.28 120.07 3ibg n THR 62 Ca -0.18 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.35 3ibg n THR 62 Cb 0.51 0.45 -0.03 0.00 -1.82 0.00 0.00 70.33 69.44 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 -2.81 6.67 0.32 8.00 -1.08 -1.22 -4.50 116.67 122.05 3ibg s ASP 63 Ca 0.15 2.32 0.26 0.00 -0.52 0.00 0.00 52.55 54.77 3ibg s ASP 63 Cb 0.18 -2.55 0.97 0.00 -1.46 0.00 0.00 42.92 40.06 3ibg s ASP 63 CO 0.66 -0.88 1.77 1.55 0.52 0.00 0.00 175.17 178.79 3ibg h PRO 64 N 8.84 0.00 0.00 4.34 0.13 -1.93 -2.28 132.00 141.11 3ibg h PRO 64 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3ibg h PRO 64 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3ibg h PRO 64 CO 0.94 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.71 3ibg h ALA 65 N 2.25 1.00 -6.73 -0.56 0.00 -2.00 -3.47 119.26 109.75 3ibg h ALA 65 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 3ibg h ALA 65 Cb 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.20 3ibg h ALA 65 CO 0.00 0.00 -0.92 0.72 0.00 0.00 0.00 179.25 179.05 3ibg n HIS 66 N -2.58 -1.50 0.58 0.00 8.25 -0.86 -4.81 115.22 114.31 3ibg n HIS 66 Ca 0.05 0.70 0.07 0.00 -0.26 0.00 0.00 57.72 58.28 3ibg n HIS 66 Cb 0.44 -3.35 0.34 0.00 1.12 0.00 0.00 29.99 28.54 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 -2.93 0.00 0.27 0.41 3.02 -1.26 -2.71 115.26 112.06 3ibg n ASN 67 Ca -0.30 0.35 0.12 0.00 -0.03 0.00 0.00 54.58 54.72 3ibg n ASN 67 Cb 0.68 -0.42 0.78 0.00 -0.61 0.00 0.00 39.78 40.20 3ibg n ASN 67 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3ibg h LEU 68 N 0.00 0.00 0.05 3.41 5.85 -1.94 -0.54 115.31 122.14 3ibg h LEU 68 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ibg h LEU 68 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3ibg h LEU 68 CO 0.00 0.05 -0.02 0.28 -0.34 0.00 0.00 178.44 178.40 3ibg h SER 69 N 0.00 -0.06 -1.39 1.25 0.02 -1.71 -3.14 113.55 108.51 3ibg h SER 69 Ca -0.00 0.00 0.40 0.00 -0.84 0.00 0.00 61.79 61.36 3ibg h SER 69 Cb 0.11 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.61 3ibg h SER 69 CO 0.01 0.29 1.02 0.44 -1.14 0.00 0.00 176.83 177.45 3ibg h ASP 70 N -0.73 0.00 0.61 3.07 3.32 -1.69 0.73 116.42 121.73 3ibg h ASP 70 Ca -0.01 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3ibg h ASP 70 Cb 0.05 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.61 3ibg h ASP 70 CO 0.01 0.00 -0.29 0.00 -1.72 0.00 0.00 179.24 177.24 3ibg h ALA 71 N 1.27 -0.82 -0.08 3.45 0.00 -1.20 -3.24 119.26 118.63 3ibg h ALA 71 Ca 0.66 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3ibg h ALA 71 Cb 2.70 0.32 0.00 0.00 0.00 0.00 0.00 17.79 20.81 3ibg h ALA 71 CO -0.01 -0.77 0.00 1.19 0.00 0.00 0.00 179.25 179.67 3ibg n PHE 72 N -5.32 0.10 -3.94 0.00 3.72 -0.43 -4.45 117.46 107.14 3ibg n PHE 72 Ca -0.10 -0.05 -0.30 0.00 -0.05 0.00 0.00 57.45 56.94 3ibg n PHE 72 Cb 0.33 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.86 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 0.99 -0.48 3.53 1.37 0.00 0.24 -4.90 105.19 105.94 3ibg n GLY 73 Ca 0.16 0.25 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 -6.60 0.69 -0.10 1.61 0.74 -1.14 -5.03 119.66 109.83 3ibg s GLN 74 Ca 0.18 0.93 -0.29 0.00 0.05 0.00 0.00 55.36 56.23 3ibg s GLN 74 Cb -0.08 0.28 -0.01 0.00 1.10 0.00 0.00 33.01 34.30 3ibg s GLN 74 CO 0.90 -0.11 0.99 0.21 -0.55 0.00 0.00 175.29 176.74 3ibg s LYS 75 N 0.70 4.43 0.12 1.67 2.20 -1.26 -4.37 119.74 123.23 3ibg s LYS 75 Ca -0.03 1.37 0.08 0.00 -0.36 0.00 0.00 55.97 57.03 3ibg s LYS 75 Cb -0.05 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 3ibg s LYS 75 CO -0.05 -0.29 -0.13 -0.06 -0.36 0.00 0.00 175.35 174.46 3ibg s PHE 76 N 1.92 2.64 0.00 4.03 0.08 -1.26 -5.04 117.98 120.35 3ibg s PHE 76 Ca 0.48 -0.21 0.00 0.00 0.12 0.00 0.00 56.93 57.32 3ibg s PHE 76 Cb -0.18 -1.37 0.00 0.00 -0.57 0.00 0.00 43.02 40.89 3ibg s PHE 76 CO 0.18 0.43 0.00 0.41 -0.10 0.00 0.00 175.22 176.14 3ibg n GLY 77 N 0.62 5.22 0.04 4.36 0.00 -1.26 -4.76 105.19 109.41 3ibg n GLY 77 Ca -0.14 -1.61 0.13 0.00 0.00 0.00 0.00 46.02 44.40 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 0.21 -3.42 1.61 4.81 -1.25 0.77 118.16 120.89 3ibg n LYS 78 Ca 0.00 -0.08 -0.38 0.00 -0.87 0.00 0.00 58.31 56.99 3ibg n LYS 78 Cb 0.00 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 33.48 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 -2.85 4.22 -0.20 1.64 0.41 -1.26 -4.80 118.70 115.87 3ibg s GLU 79 Ca 0.17 0.19 -0.29 0.00 -0.41 0.00 0.00 54.97 54.64 3ibg s GLU 79 Cb 0.19 -3.49 -0.05 0.00 -1.78 0.00 0.00 34.13 29.00 3ibg s GLU 79 CO 0.58 0.06 2.03 0.00 -0.49 0.00 0.00 175.26 177.44 3ibg s ALA 80 N 0.99 2.96 0.40 5.21 0.00 -1.26 -4.72 121.76 125.34 3ibg s ALA 80 Ca 0.19 0.74 0.08 0.00 0.00 0.00 0.00 51.96 52.96 3ibg s ALA 80 Cb -0.14 -4.00 -0.01 0.00 0.00 0.00 0.00 23.12 18.97 3ibg s ALA 80 CO 0.07 -2.46 0.42 1.03 0.00 0.00 0.00 175.76 174.82 3ibg s ARG 81 N 5.70 2.69 -0.17 0.00 0.52 -0.93 -4.91 118.95 121.85 3ibg s ARG 81 Ca 0.91 -1.38 -0.17 0.00 -0.52 0.00 0.00 55.73 54.57 3ibg s ARG 81 Cb -0.32 -2.53 -0.04 0.00 0.52 0.00 0.00 34.95 32.59 3ibg s ARG 81 CO 0.35 -0.14 0.45 -1.17 0.02 0.00 0.00 175.30 174.81 3ibg s LEU 82 N -4.17 4.20 0.09 2.53 2.96 -1.26 -1.48 118.68 121.55 3ibg s LEU 82 Ca 0.48 0.66 -0.31 0.00 -0.22 0.00 0.00 54.13 54.75 3ibg s LEU 82 Cb -0.06 -2.62 -0.10 0.00 0.50 0.00 0.00 46.19 43.92 3ibg s LEU 82 CO 0.29 -0.07 1.80 -0.69 -1.32 0.00 0.00 176.35 176.37 3ibg s VAL 83 N 1.11 2.74 0.18 1.68 1.01 -0.16 -4.87 120.40 122.09 3ibg s VAL 83 Ca 0.23 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.09 3ibg s VAL 83 Cb -0.15 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.13 3ibg s VAL 83 CO 0.09 -0.00 1.54 0.44 0.00 0.00 0.00 175.10 177.17 3ibg h ASP 84 N 8.84 -2.00 0.00 3.32 3.32 -1.94 -0.77 116.42 127.19 3ibg h ASP 84 Ca -0.46 0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3ibg h ASP 84 Cb 1.22 0.91 0.00 0.00 0.22 0.00 0.00 39.33 41.68 3ibg h ASP 84 CO 0.94 -0.25 0.00 0.61 -1.72 0.00 0.00 179.24 178.83 3ibg n GLY 85 N -1.30 0.07 3.32 2.75 0.00 -1.26 -4.83 105.19 103.93 3ibg n GLY 85 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.57 1.53 0.00 1.61 2.02 -0.30 -5.06 117.35 115.59 3ibg s TYR 86 Ca 0.00 -1.26 0.00 0.00 -0.37 0.00 0.00 57.07 55.44 3ibg s TYR 86 Cb 0.00 -0.86 0.00 0.00 -0.40 0.00 0.00 41.96 40.70 3ibg s TYR 86 CO 0.00 -0.42 0.00 -1.13 -1.57 0.00 0.00 175.55 172.43 3ibg n SER 87 N -0.61 3.97 0.00 2.29 3.41 -1.26 -4.75 113.62 116.66 3ibg n SER 87 Ca 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3ibg n SER 87 Cb 0.66 0.82 0.00 0.00 -0.26 0.00 0.00 64.21 65.43 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 -1.21 1.12 -4.46 4.04 6.94 -1.26 -5.00 115.26 115.43 3ibg n ASN 88 Ca 0.00 -1.27 -0.36 0.00 -0.02 0.00 0.00 54.58 52.93 3ibg n ASN 88 Cb 0.00 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.30 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 -0.27 3.43 0.12 -4.53 2.96 -1.26 -0.30 118.68 118.83 3ibg s LEU 89 Ca 0.00 -0.19 0.06 0.00 -0.22 0.00 0.00 54.13 53.79 3ibg s LEU 89 Cb 0.00 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 3ibg s LEU 89 CO 0.00 -0.00 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.44 3ibg s SER 90 N 1.40 2.07 0.01 3.68 0.01 -0.20 -0.99 113.70 119.69 3ibg s SER 90 Ca 0.05 -0.79 -0.00 0.00 1.31 0.00 0.00 55.95 56.52 3ibg s SER 90 Cb -0.15 -0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.00 3ibg s SER 90 CO 0.03 -0.11 -0.01 0.00 0.41 0.00 0.00 173.24 173.56 3ibg s ALA 91 N -1.97 0.03 0.06 1.44 0.00 -0.55 0.87 121.76 121.63 3ibg s ALA 91 Ca 0.08 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 51.89 3ibg s ALA 91 Cb -0.06 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 3ibg s ALA 91 CO 0.03 -0.05 -0.06 0.00 0.00 0.00 0.00 175.76 175.69 3ibg s MET 92 N -0.43 0.59 -0.27 0.00 0.23 -0.13 -2.20 119.30 117.10 3ibg s MET 92 Ca -0.05 -0.98 0.00 0.00 -1.03 0.00 0.00 55.69 53.64 3ibg s MET 92 Cb -0.03 -0.11 0.05 0.00 -1.53 0.00 0.00 34.83 33.21 3ibg s MET 92 CO -0.00 -0.02 -0.07 -1.21 -2.03 0.00 0.00 175.02 171.69 3ibg s GLU 93 N -2.62 2.48 0.23 3.16 2.02 0.23 -1.50 118.70 122.70 3ibg s GLU 93 Ca -0.02 -1.21 -0.30 0.00 0.02 0.00 0.00 54.97 53.46 3ibg s GLU 93 Cb -0.02 -2.99 -0.09 0.00 0.10 0.00 0.00 34.13 31.13 3ibg s GLU 93 CO -0.03 -0.53 1.01 0.42 0.02 0.00 0.00 175.26 176.15 3ibg s ILE 94 N 1.21 3.91 -0.10 -1.63 -1.09 -0.69 -3.76 121.20 119.04 3ibg s ILE 94 Ca -0.05 1.85 -0.08 0.00 -2.23 0.00 0.00 60.65 60.14 3ibg s ILE 94 Cb -0.19 -4.18 -0.04 0.00 -1.58 0.00 0.00 42.46 36.47 3ibg s ILE 94 CO -0.04 0.41 0.18 -1.81 -1.23 0.00 0.00 174.94 172.45 3ibg s ASP 95 N -0.84 6.45 0.09 3.58 1.01 -1.26 -4.74 116.67 120.96 3ibg s ASP 95 Ca 0.44 0.54 -0.21 0.00 0.71 0.00 0.00 52.55 54.03 3ibg s ASP 95 Cb -0.28 -2.10 -0.11 0.00 1.01 0.00 0.00 42.92 41.45 3ibg s ASP 95 CO 0.35 0.39 1.68 -0.65 0.21 0.00 0.00 175.17 177.16 3ibg h PRO 96 N 4.91 0.19 -3.30 8.23 0.11 -1.96 -3.47 132.00 136.71 3ibg h PRO 96 Ca -0.54 -0.02 -0.28 0.00 0.11 0.00 0.00 66.00 65.26 3ibg h PRO 96 Cb 1.23 -0.04 0.05 0.00 0.11 0.00 0.00 31.00 32.35 3ibg h PRO 96 CO 0.59 0.21 -0.43 0.09 -0.21 0.00 0.00 178.00 178.25 3ibg n ASN 97 N -4.94 -4.78 -4.77 -2.05 5.03 -1.26 -4.67 115.26 97.83 3ibg n ASN 97 Ca -0.05 -0.21 -0.40 0.00 0.87 0.00 0.00 54.58 54.79 3ibg n ASN 97 Cb 0.08 -3.63 -0.01 0.00 -1.02 0.00 0.00 39.78 35.19 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 -2.81 2.97 0.44 7.41 0.00 -1.26 -4.04 107.32 110.04 3ibg s GLY 98 Ca 0.22 1.29 0.08 0.00 0.00 0.00 0.00 44.72 46.31 3ibg s GLY 98 CO 0.27 1.92 0.59 -1.35 0.00 0.00 0.00 173.10 174.53 3ibg s SER 99 N -0.52 5.57 0.26 1.64 1.04 -1.26 -4.97 113.70 115.46 3ibg s SER 99 Ca 0.52 -0.49 -0.03 0.00 0.48 0.00 0.00 55.95 56.43 3ibg s SER 99 Cb -0.40 -0.53 0.33 0.00 0.10 0.00 0.00 66.02 65.51 3ibg s SER 99 CO 0.53 -0.83 1.82 0.40 0.98 0.00 0.00 173.24 176.14 3ibg h ILE 100 N 0.59 1.24 -0.02 -1.02 2.04 -2.00 -2.02 117.51 116.32 3ibg h ILE 100 Ca -0.39 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 64.69 3ibg h ILE 100 Cb 1.28 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3ibg h ILE 100 CO 0.45 0.31 0.01 1.56 0.00 0.00 0.00 178.15 180.48 3ibg h GLN 101 N 0.95 0.04 -0.81 2.37 1.08 -1.98 -1.59 115.11 115.16 3ibg h GLN 101 Ca 0.22 -0.01 0.18 0.00 -1.45 0.00 0.00 58.65 57.59 3ibg h GLN 101 Cb 0.24 -0.01 -0.15 0.00 -0.05 0.00 0.00 27.48 27.51 3ibg h GLN 101 CO -0.01 0.15 -0.06 -0.44 -0.95 0.00 0.00 178.83 177.51 3ibg h ASP 102 N -0.08 -0.51 -0.23 1.46 5.19 -1.82 -0.85 116.42 119.58 3ibg h ASP 102 Ca 0.01 0.22 -0.07 0.00 -0.62 0.00 0.00 57.03 56.57 3ibg h ASP 102 Cb 0.12 0.42 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 3ibg h ASP 102 CO -0.00 -0.23 -0.14 0.25 -3.12 0.00 0.00 179.24 176.00 3ibg h LEU 103 N 0.05 0.52 -1.52 1.55 5.85 -1.18 -2.86 115.31 117.73 3ibg h LEU 103 Ca 0.43 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ibg h LEU 103 Cb 0.75 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3ibg h LEU 103 CO -0.76 0.83 0.00 -0.07 -0.34 0.00 0.00 178.44 178.10 3ibg h LEU 104 N 0.21 0.00 0.00 2.25 3.38 -0.29 -2.58 115.31 118.27 3ibg h LEU 104 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ibg h LEU 104 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3ibg h LEU 104 CO 0.04 0.00 -0.47 0.00 0.09 0.00 0.00 178.44 178.10 3ibg n ALA 105 N -1.93 2.95 -1.18 1.53 0.00 -0.42 -5.09 120.51 116.37 3ibg n ALA 105 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3ibg n ALA 105 Cb 0.18 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.93 0.00 0.01 0.00 3.41 -0.98 -5.11 113.62 109.03 3ibg n SER 106 Ca 0.04 0.00 0.21 0.00 -0.26 0.00 0.00 58.87 58.86 3ibg n SER 106 Cb 0.40 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 65.06 3ibg n SER 106 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3ibg h GLN 125 N 0.00 0.00 -0.00 4.33 4.20 -2.09 -3.52 115.11 118.03 3ibg h GLN 125 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ibg h GLN 125 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3ibg h GLN 125 CO 0.00 0.00 -0.59 -0.40 -0.67 0.00 0.00 178.83 177.17 3ibg n ASP 126 N -4.25 0.84 -0.89 1.46 5.68 -1.26 -4.16 116.55 113.97 3ibg n ASP 126 Ca 0.10 -0.66 0.00 0.00 -0.50 0.00 0.00 54.79 53.73 3ibg n ASP 126 Cb 0.62 0.44 0.00 0.00 -1.14 0.00 0.00 41.12 41.05 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 -1.24 2.22 0.01 -2.12 4.32 -1.26 -3.33 117.00 115.61 3ibg n LEU 127 Ca 0.07 -1.11 -0.00 0.00 -0.02 0.00 0.00 56.01 54.94 3ibg n LEU 127 Cb 0.35 -0.43 -0.10 0.00 -1.62 0.00 0.00 43.42 41.61 3ibg n LEU 127 CO 0.35 0.39 -0.46 0.00 -1.22 0.00 0.00 177.39 176.44 3ibg n ALA 128 N 0.46 1.96 -1.44 -1.18 0.00 -1.26 -4.01 120.51 115.03 3ibg n ALA 128 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 53.44 52.68 3ibg n ALA 128 Cb 0.39 -0.83 0.18 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.81 1.67 0.06 0.00 3.72 -1.21 -4.71 117.46 114.18 3ibg n PHE 129 Ca -0.12 -1.76 -0.01 0.00 -0.05 0.00 0.00 57.45 55.51 3ibg n PHE 129 Cb 0.86 -0.63 -0.06 0.00 -0.94 0.00 0.00 39.48 38.71 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 1.10 0.00 -3.44 4.37 4.64 -1.78 -3.45 113.55 114.99 3ibg h SER 130 Ca 0.33 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 61.06 3ibg h SER 130 Cb 1.87 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.86 3ibg h SER 130 CO 0.61 0.64 0.01 -0.63 -0.87 0.00 0.00 176.83 176.59 3ibg s ILE 131 N -2.88 5.08 0.66 0.95 -1.09 -1.26 -4.97 121.20 117.68 3ibg s ILE 131 Ca -0.01 1.04 -0.16 0.00 -2.23 0.00 0.00 60.65 59.30 3ibg s ILE 131 Cb 0.08 -3.88 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 3ibg s ILE 131 CO 0.79 0.17 1.14 -2.84 -1.23 0.00 0.00 174.94 172.97 3ibg s PRO 132 N 1.65 2.71 0.62 2.79 0.02 -1.26 -5.00 135.00 136.52 3ibg s PRO 132 Ca 0.26 1.52 -0.04 0.00 0.02 0.00 0.00 61.00 62.76 3ibg s PRO 132 Cb -0.16 -1.93 0.04 0.00 0.02 0.00 0.00 34.50 32.47 3ibg s PRO 132 CO 0.10 -1.35 0.90 0.20 -0.33 0.00 0.00 177.00 176.52 3ibg s GLY 133 N -2.32 1.70 0.36 0.52 0.00 -1.26 -4.94 107.32 101.37 3ibg s GLY 133 Ca 0.70 -0.99 0.12 0.00 0.00 0.00 0.00 44.72 44.55 3ibg s GLY 133 CO 0.40 -0.66 1.81 -2.08 0.00 0.00 0.00 173.10 172.57 3ibg h VAL 134 N -0.25 1.28 -0.16 1.40 2.07 -1.93 -1.88 116.25 116.78 3ibg h VAL 134 Ca -0.44 -1.31 -0.19 0.00 0.82 0.00 0.00 66.70 65.57 3ibg h VAL 134 Cb 1.29 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 3ibg h VAL 134 CO 0.58 0.38 -0.68 0.44 0.02 0.00 0.00 177.57 178.31 3ibg h ASP 135 N 0.04 0.74 -0.14 0.57 3.32 -1.94 -1.68 116.42 117.33 3ibg h ASP 135 Ca 0.00 -0.45 -0.11 0.00 0.02 0.00 0.00 57.03 56.49 3ibg h ASP 135 Cb 0.68 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3ibg h ASP 135 CO 0.05 1.21 -0.34 -0.08 -1.72 0.00 0.00 179.24 178.36 3ibg h GLU 136 N 0.46 0.47 -0.68 3.56 4.81 -1.65 -1.88 114.58 119.67 3ibg h GLU 136 Ca -0.02 -0.33 0.01 0.00 -0.13 0.00 0.00 59.36 58.89 3ibg h GLU 136 Cb 1.27 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.66 3ibg h GLU 136 CO 0.13 0.94 0.45 0.00 -0.73 0.00 0.00 179.01 179.80 3ibg h ALA 137 N 0.53 0.87 -0.33 2.92 0.00 -1.39 -2.35 119.26 119.50 3ibg h ALA 137 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ibg h ALA 137 Cb 0.95 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3ibg h ALA 137 CO 0.07 0.30 0.19 0.52 0.00 0.00 0.00 179.25 180.33 3ibg h MET 138 N 0.93 0.46 -0.67 0.00 2.86 -1.27 -2.08 114.93 115.15 3ibg h MET 138 Ca 0.25 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.90 3ibg h MET 138 Cb -0.10 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.41 3ibg h MET 138 CO -0.05 0.38 0.37 1.03 1.06 0.00 0.00 176.91 179.69 3ibg h SER 139 N 0.42 0.53 -0.46 1.22 0.87 -1.09 -1.30 113.55 113.74 3ibg h SER 139 Ca 0.12 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 3ibg h SER 139 Cb 0.04 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 3ibg h SER 139 CO -0.02 0.34 0.16 0.15 -0.53 0.00 0.00 176.83 176.93 3ibg h PHE 140 N 0.67 0.73 -0.95 2.24 3.57 -1.27 -2.19 116.94 119.73 3ibg h PHE 140 Ca 0.31 -0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.83 3ibg h PHE 140 Cb 0.22 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 38.68 3ibg h PHE 140 CO -0.08 0.64 0.61 0.00 -2.23 0.00 0.00 178.31 177.25 3ibg h ALA 141 N 1.01 1.52 -0.21 2.41 0.00 -0.88 -0.27 119.26 122.84 3ibg h ALA 141 Ca 0.15 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3ibg h ALA 141 Cb 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ibg h ALA 141 CO -0.01 0.31 -0.17 0.93 0.00 0.00 0.00 179.25 180.31 3ibg h GLU 142 N 1.03 0.35 -0.02 0.00 4.39 -0.82 -0.98 114.58 118.52 3ibg h GLU 142 Ca 0.43 -0.10 -0.23 0.00 0.34 0.00 0.00 59.36 59.80 3ibg h GLU 142 Cb 0.31 -0.04 0.02 0.00 -0.10 0.00 0.00 28.75 28.94 3ibg h GLU 142 CO -0.19 0.52 -0.88 0.28 -1.16 0.00 0.00 179.01 177.59 3ibg h VAL 143 N 0.32 1.32 -0.67 3.13 2.07 -0.61 -2.40 116.25 119.42 3ibg h VAL 143 Ca 0.06 -2.15 0.02 0.00 0.82 0.00 0.00 66.70 65.45 3ibg h VAL 143 Cb 0.49 2.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.60 3ibg h VAL 143 CO 0.03 0.66 0.44 -0.07 0.02 0.00 0.00 177.57 178.65 3ibg h LEU 144 N 0.28 0.73 0.72 2.57 3.38 -0.95 -0.18 115.31 121.86 3ibg h LEU 144 Ca -0.10 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3ibg h LEU 144 Cb 1.54 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 3ibg h LEU 144 CO 0.17 0.52 -0.47 0.50 0.09 0.00 0.00 178.44 179.26 3ibg h LYS 145 N 0.86 -1.08 -0.61 1.13 3.64 -1.04 -1.66 116.57 117.81 3ibg h LYS 145 Ca 0.25 0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.77 3ibg h LYS 145 Cb -0.04 0.24 -0.10 0.00 -0.41 0.00 0.00 32.23 31.93 3ibg h LYS 145 CO -0.06 -0.72 -0.55 1.96 -2.27 0.00 0.00 179.45 177.81 3ibg h GLN 146 N -1.12 -0.25 -0.84 1.90 4.20 -1.13 -2.10 115.11 115.78 3ibg h GLN 146 Ca -0.09 0.02 0.18 0.00 0.06 0.00 0.00 58.65 58.81 3ibg h GLN 146 Cb 0.91 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.69 3ibg h GLN 146 CO 0.08 -0.17 0.56 0.28 -0.67 0.00 0.00 178.83 178.91 3ibg h VAL 147 N -0.26 0.73 -0.26 -0.54 2.07 -0.83 0.26 116.25 117.41 3ibg h VAL 147 Ca 0.12 -0.14 -0.13 0.00 0.82 0.00 0.00 66.70 67.36 3ibg h VAL 147 Cb 0.54 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3ibg h VAL 147 CO -0.71 0.08 -0.38 0.50 0.02 0.00 0.00 177.57 177.07 3ibg h LYS 148 N 0.41 0.61 -0.74 1.57 3.64 -0.61 -2.88 116.57 118.56 3ibg h LYS 148 Ca 0.43 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3ibg h LYS 148 Cb 1.03 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.81 3ibg h LYS 148 CO -0.15 0.89 0.44 0.77 -2.27 0.00 0.00 179.45 179.13 3ibg h SER 149 N 0.51 0.90 0.52 4.20 0.02 -0.23 -2.46 113.55 116.99 3ibg h SER 149 Ca 0.05 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3ibg h SER 149 Cb 0.88 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 3ibg h SER 149 CO 0.08 0.70 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.37 3ibg h LEU 150 N 1.03 0.00 -2.60 5.07 3.38 -1.24 -3.47 115.31 117.48 3ibg h LEU 150 Ca 0.27 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.81 3ibg h LEU 150 Cb -0.02 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.79 3ibg h LEU 150 CO -0.05 0.03 -0.90 -1.20 0.09 0.00 0.00 178.44 176.41 3ibg n SER 151 N -3.19 -3.65 -4.74 -0.43 7.64 -0.93 -4.96 113.62 103.35 3ibg n SER 151 Ca -0.01 -0.94 -0.40 0.00 1.01 0.00 0.00 58.87 58.52 3ibg n SER 151 Cb 0.21 -3.65 -0.05 0.00 -1.01 0.00 0.00 64.21 59.71 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 -3.59 3.88 0.11 1.43 2.02 -1.26 -4.99 117.35 114.95 3ibg s TYR 152 Ca 0.29 1.79 -0.24 0.00 -0.37 0.00 0.00 57.07 58.54 3ibg s TYR 152 Cb -0.09 -2.97 -0.09 0.00 -0.40 0.00 0.00 41.96 38.41 3ibg s TYR 152 CO 0.84 0.34 1.69 1.49 -1.57 0.00 0.00 175.55 178.34 3ibg h GLU 153 N 4.91 -0.20 -3.90 -0.62 4.57 -1.84 -3.45 114.58 114.05 3ibg h GLU 153 Ca -0.44 0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 57.61 3ibg h GLU 153 Cb 1.21 0.05 -0.19 0.00 -0.16 0.00 0.00 28.75 29.65 3ibg h GLU 153 CO 0.70 -0.13 -0.61 0.54 -1.18 0.00 0.00 179.01 178.32 3ibg s VAL 154 N -6.15 0.13 -0.15 0.32 0.11 -1.00 -4.76 120.40 108.91 3ibg s VAL 154 Ca -0.14 -1.09 0.00 0.00 -2.93 0.00 0.00 61.98 57.82 3ibg s VAL 154 Cb 0.08 -0.71 0.02 0.00 -1.53 0.00 0.00 36.38 34.24 3ibg s VAL 154 CO 0.66 -0.60 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.05 3ibg s ILE 155 N -2.25 1.63 -0.22 7.04 1.01 0.11 -1.46 121.20 127.06 3ibg s ILE 155 Ca -0.08 -0.67 -0.19 0.00 0.00 0.00 0.00 60.65 59.70 3ibg s ILE 155 Cb -0.04 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 3ibg s ILE 155 CO -0.03 0.47 0.57 -0.69 0.00 0.00 0.00 174.94 175.25 3ibg s VAL 156 N 1.45 5.05 -0.52 2.92 1.01 -0.16 -0.71 120.40 129.44 3ibg s VAL 156 Ca 0.05 1.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.95 3ibg s VAL 156 Cb -0.13 -3.88 0.13 0.00 0.00 0.00 0.00 36.38 32.50 3ibg s VAL 156 CO -0.11 0.12 0.42 0.12 0.00 0.00 0.00 175.10 175.65 3ibg s PHE 157 N 1.99 3.40 -0.86 5.22 5.36 0.18 -2.19 117.98 131.09 3ibg s PHE 157 Ca 0.25 -1.75 -0.25 0.00 -0.96 0.00 0.00 56.93 54.22 3ibg s PHE 157 Cb -0.16 -3.60 0.00 0.00 -0.34 0.00 0.00 43.02 38.93 3ibg s PHE 157 CO 0.09 -1.00 1.64 0.34 -1.46 0.00 0.00 175.22 174.84 3ibg s ASP 158 N 2.83 5.81 0.88 6.13 2.15 0.23 -1.78 116.67 132.92 3ibg s ASP 158 Ca 0.06 -0.70 -0.11 0.00 0.43 0.00 0.00 52.55 52.23 3ibg s ASP 158 Cb -0.26 -2.56 0.12 0.00 -0.30 0.00 0.00 42.92 39.92 3ibg s ASP 158 CO -0.00 -2.10 1.09 0.42 -0.17 0.00 0.00 175.17 174.41 3ibg s THR 159 N 7.39 2.75 -0.21 1.71 -4.23 -0.96 -1.21 115.64 120.89 3ibg s THR 159 Ca 0.55 0.24 -0.25 0.00 -1.18 0.00 0.00 61.69 61.06 3ibg s THR 159 Cb -0.06 -2.69 -0.01 0.00 1.34 0.00 0.00 72.50 71.08 3ibg s THR 159 CO 0.03 -0.32 0.81 0.00 -0.54 0.00 0.00 174.62 174.61 3ibg s ALA 160 N -2.90 3.59 0.00 3.99 0.00 -1.26 -4.24 121.76 120.94 3ibg s ALA 160 Ca 0.63 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.51 3ibg s ALA 160 Cb -0.18 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3ibg s ALA 160 CO 0.57 -0.79 0.89 -2.30 0.00 0.00 0.00 175.76 174.13 3ibg n PRO 161 N 5.63 0.84 0.00 0.00 -0.02 -1.26 -3.78 135.00 136.40 3ibg n PRO 161 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3ibg n PRO 161 Cb 0.48 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 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 0.64 0.00 0.96 3.45 -2.24 -1.26 -4.22 114.28 111.61 3ibg n THR 162 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 3ibg n THR 162 Cb 0.42 -0.82 0.60 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.52 1.69 3.38 0.00 -1.26 -3.89 105.19 108.59 3ibg n GLY 163 Ca 0.00 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.57 2.10 -0.26 1.61 8.25 -1.26 -4.79 115.22 119.29 3ibg n HIS 164 Ca 0.07 -2.11 0.08 0.00 -0.26 0.00 0.00 57.72 55.49 3ibg n HIS 164 Cb 0.35 -0.52 0.21 0.00 1.12 0.00 0.00 29.99 31.15 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 1.61 0.49 -0.69 1.59 2.02 -1.67 -2.22 112.91 114.03 3ibg h THR 165 Ca 0.32 -0.10 -0.40 0.00 0.77 0.00 0.00 66.41 67.01 3ibg h THR 165 Cb 1.39 0.17 -0.23 0.00 -1.74 0.00 0.00 68.15 67.74 3ibg h THR 165 CO 0.70 0.05 0.22 0.18 0.37 0.00 0.00 175.52 177.04 3ibg n LEU 166 N -5.14 5.56 0.10 2.58 4.77 -1.26 -4.53 117.00 119.07 3ibg n LEU 166 Ca 0.16 -3.91 0.00 0.00 -0.03 0.00 0.00 56.01 52.23 3ibg n LEU 166 Cb 0.51 -0.72 0.31 0.00 -2.33 0.00 0.00 43.42 41.18 3ibg n LEU 166 CO 0.12 1.32 0.79 -0.09 -1.33 0.00 0.00 177.39 178.20 3ibg h ARG 167 N 1.27 0.27 0.00 3.23 2.43 -1.77 -2.87 114.38 116.94 3ibg h ARG 167 Ca 0.43 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 3ibg h ARG 167 Cb 1.89 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.42 3ibg h ARG 167 CO 0.83 0.50 0.00 1.97 -1.51 0.00 0.00 179.97 181.76 3ibg n PHE 168 N -4.17 0.00 1.52 2.20 1.16 -1.26 -2.17 117.46 114.74 3ibg n PHE 168 Ca -0.01 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 55.71 3ibg n PHE 168 Cb 0.36 -0.26 0.61 0.00 -1.61 0.00 0.00 39.48 38.57 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 -1.26 0.84 -0.42 5.98 4.77 -1.08 -3.01 117.00 122.81 3ibg n LEU 169 Ca 0.06 -0.22 0.11 0.00 -0.03 0.00 0.00 56.01 55.94 3ibg n LEU 169 Cb 0.10 -0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.16 3ibg n LEU 169 CO 0.09 0.15 0.33 0.00 -1.33 0.00 0.00 177.39 176.63 3ibg n GLN 170 N -0.51 1.04 -0.20 3.23 6.02 -0.92 -4.47 117.38 121.57 3ibg n GLN 170 Ca 0.17 -0.84 -0.00 0.00 -0.01 0.00 0.00 57.00 56.32 3ibg n GLN 170 Cb 0.29 -1.48 0.23 0.00 1.02 0.00 0.00 30.24 30.29 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 2.04 0.93 -0.04 1.08 0.04 -1.71 0.08 116.94 119.36 3ibg h PHE 171 Ca 0.00 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 3ibg h PHE 171 Cb 0.70 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 3ibg h PHE 171 CO 0.00 0.63 0.02 -1.35 -0.60 0.00 0.00 178.31 177.02 3ibg h PRO 172 N 0.97 0.05 0.00 1.51 0.11 -1.81 -1.47 132.00 131.35 3ibg h PRO 172 Ca 0.25 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.29 3ibg h PRO 172 Cb -0.01 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3ibg h PRO 172 CO -0.04 0.12 -0.32 1.79 -0.21 0.00 0.00 178.00 179.34 3ibg h THR 173 N -0.02 1.01 -0.30 -1.15 1.35 -1.78 -1.68 112.91 110.34 3ibg h THR 173 Ca 0.01 -1.17 -0.17 0.00 -0.55 0.00 0.00 66.41 64.53 3ibg h THR 173 Cb 0.08 1.67 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 3ibg h THR 173 CO -0.00 0.31 -0.49 0.58 -0.25 0.00 0.00 175.52 175.66 3ibg h VAL 174 N 0.00 1.28 0.03 6.82 2.07 -0.77 -2.53 116.25 123.14 3ibg h VAL 174 Ca -0.00 -1.68 -0.22 0.00 0.82 0.00 0.00 66.70 65.62 3ibg h VAL 174 Cb 0.65 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3ibg h VAL 174 CO 0.04 0.55 -0.98 -0.07 0.02 0.00 0.00 177.57 177.13 3ibg h LEU 175 N 0.65 0.39 -0.43 2.57 3.38 -1.14 -2.57 115.31 118.16 3ibg h LEU 175 Ca 0.02 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 3ibg h LEU 175 Cb 1.10 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3ibg h LEU 175 CO 0.11 1.16 0.11 -0.33 0.09 0.00 0.00 178.44 179.58 3ibg h GLU 176 N 0.14 0.68 -0.28 1.13 5.08 -1.35 0.28 114.58 120.27 3ibg h GLU 176 Ca -0.08 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 3ibg h GLU 176 Cb 1.64 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.78 3ibg h GLU 176 CO 0.16 0.69 0.01 0.87 -1.00 0.00 0.00 179.01 179.74 3ibg h LYS 177 N 0.56 0.41 -0.08 2.33 1.57 -1.44 -0.49 116.57 119.42 3ibg h LYS 177 Ca 0.13 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.68 3ibg h LYS 177 Cb 0.31 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.56 3ibg h LYS 177 CO 0.00 0.43 -0.57 0.00 -0.57 0.00 0.00 179.45 178.75 3ibg h ALA 178 N 1.62 0.18 0.00 3.86 0.00 -1.04 -2.03 119.26 121.85 3ibg h ALA 178 Ca 0.09 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3ibg h ALA 178 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ibg h ALA 178 CO 0.01 0.42 -0.11 1.25 0.00 0.00 0.00 179.25 180.81 3ibg h LEU 179 N 0.13 0.00 0.03 0.00 5.85 -0.11 -0.65 115.31 120.57 3ibg h LEU 179 Ca -0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3ibg h LEU 179 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3ibg h LEU 179 CO 0.12 0.11 -0.02 0.00 -0.34 0.00 0.00 178.44 178.31 3ibg h ALA 180 N 1.89 -0.04 0.00 1.25 0.00 -1.05 -2.07 119.26 119.24 3ibg h ALA 180 Ca -0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3ibg h ALA 180 Cb 0.22 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ibg h ALA 180 CO 0.01 -0.08 -0.00 -0.22 0.00 0.00 0.00 179.25 178.96 3ibg h LYS 181 N -0.93 0.00 0.17 0.00 1.63 -1.27 0.28 116.57 116.45 3ibg h LYS 181 Ca -0.00 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.45 3ibg h LYS 181 Cb 0.66 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 3ibg h LYS 181 CO 0.01 0.00 -1.70 1.25 -3.45 0.00 0.00 179.45 175.56 3ibg h LEU 182 N 0.00 0.56 -0.19 5.20 5.85 -1.14 -3.23 115.31 122.35 3ibg h LEU 182 Ca -0.00 -0.83 -0.22 0.00 0.84 0.00 0.00 57.88 57.68 3ibg h LEU 182 Cb 0.04 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 40.90 3ibg h LEU 182 CO 0.00 1.70 -0.75 -1.28 -0.34 0.00 0.00 178.44 177.76 3ibg h SER 183 N 0.10 0.93 0.00 1.25 0.87 -0.82 -2.41 113.55 113.46 3ibg h SER 183 Ca -0.32 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 59.64 3ibg h SER 183 Cb 2.08 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.77 3ibg h SER 183 CO 0.17 1.39 0.11 -0.61 -0.53 0.00 0.00 176.83 177.37 3ibg h GLN 184 N 0.54 0.00 0.00 2.24 4.15 -1.10 0.78 115.11 121.73 3ibg h GLN 184 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3ibg h GLN 184 Cb 1.38 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.07 3ibg h GLN 184 CO 0.16 0.00 -1.24 1.28 -1.93 0.00 0.00 178.83 177.09 3ibg n LEU 185 N -2.89 0.55 0.26 -2.39 4.77 -0.95 -4.03 117.00 112.31 3ibg n LEU 185 Ca -0.02 0.07 0.13 0.00 -0.03 0.00 0.00 56.01 56.16 3ibg n LEU 185 Cb 0.17 -0.06 0.67 0.00 -2.33 0.00 0.00 43.42 41.86 3ibg n LEU 185 CO 0.16 -0.03 0.93 -1.28 -1.33 0.00 0.00 177.39 175.85 3ibg h SER 186 N 0.00 0.00 1.27 -1.43 0.87 -0.41 -1.90 113.55 111.95 3ibg h SER 186 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3ibg h SER 186 Cb 0.86 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 3ibg h SER 186 CO 0.00 0.13 0.00 0.28 -0.53 0.00 0.00 176.83 176.71 3ibg h SER 187 N 0.00 0.00 -0.86 6.23 0.02 -1.69 -3.27 113.55 113.98 3ibg h SER 187 Ca -0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 3ibg h SER 187 Cb 0.48 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.92 3ibg h SER 187 CO 0.02 0.00 2.24 0.00 -1.14 0.00 0.00 176.83 177.94 3ibg n GLN 188 N -2.59 3.96 -3.67 3.45 3.00 -0.72 -5.19 117.38 115.64 3ibg n GLN 188 Ca 0.03 -2.92 -0.03 0.00 -0.01 0.00 0.00 57.00 54.07 3ibg n GLN 188 Cb 0.37 -2.56 -0.01 0.00 0.00 0.00 0.00 30.24 28.04 3ibg n GLN 188 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 3ibg s PHE 189 N -0.50 -0.15 0.00 1.08 5.99 -1.24 -5.08 117.98 118.09 3ibg s PHE 189 Ca 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 56.93 57.45 3ibg s PHE 189 Cb 0.22 0.59 0.00 0.00 0.00 0.00 0.00 43.02 43.83 3ibg s PHE 189 CO -0.10 -0.60 0.00 0.45 -0.00 0.00 0.00 175.22 174.97 3ibg n SER 195 N -0.41 0.00 0.08 6.13 2.88 -1.26 -5.11 113.62 115.93 3ibg n SER 195 Ca -0.07 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.40 3ibg n SER 195 Cb 0.61 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.01 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 0.62 1.63 0.00 2.46 1.08 -2.04 -3.33 117.51 117.93 3ibg h ILE 196 Ca 0.00 -3.09 0.00 0.00 -0.39 0.00 0.00 64.86 61.38 3ibg h ILE 196 Cb 0.00 2.70 0.00 0.00 -3.07 0.00 0.00 36.82 36.45 3ibg h ILE 196 CO 0.00 0.89 0.00 -0.07 -0.69 0.00 0.00 178.15 178.28 3ibg h LEU 197 N 0.02 0.00 0.00 1.44 3.38 -1.95 -3.48 115.31 114.72 3ibg h LEU 197 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ibg h LEU 197 Cb 1.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.40 3ibg h LEU 197 CO 0.13 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.27 3ibg n GLY 198 N 0.04 2.65 0.47 0.83 0.00 -1.25 -2.40 105.19 105.52 3ibg n GLY 198 Ca 0.02 -0.31 0.29 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.74 2.83 -0.01 4.61 0.00 -1.96 0.95 119.26 124.92 3ibg h ALA 199 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ibg h ALA 199 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ibg h ALA 199 CO 0.00 -1.10 0.00 0.54 0.00 0.00 0.00 179.25 178.69 3ibg n ARG 200 N -4.28 1.28 -0.51 0.00 1.74 -1.01 -3.93 116.66 109.95 3ibg n ARG 200 Ca 0.20 -0.41 0.10 0.00 -0.77 0.00 0.00 57.85 56.96 3ibg n ARG 200 Cb 0.98 -1.47 0.34 0.00 -1.02 0.00 0.00 32.46 31.28 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 1.06 2.71 4.02 -0.13 0.00 0.33 -4.95 105.19 108.22 3ibg n GLY 201 Ca 0.21 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 3ibg n GLY 201 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ibg s GLY 202 N -0.97 1.79 0.38 -0.02 0.00 -1.25 -4.93 107.32 102.32 3ibg s GLY 202 Ca 0.49 -1.89 -0.28 0.00 0.00 0.00 0.00 44.72 43.05 3ibg s GLY 202 CO 0.27 -1.47 1.45 1.04 0.00 0.00 0.00 173.10 174.39 3ibg n LEU 203 N -2.31 4.65 -4.75 0.66 4.77 -1.26 -4.96 117.00 113.80 3ibg n LEU 203 Ca 0.13 1.21 -0.41 0.00 -0.03 0.00 0.00 56.01 56.92 3ibg n LEU 203 Cb 0.61 -1.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.06 3ibg n LEU 203 CO 0.41 0.03 0.88 -2.84 -1.33 0.00 0.00 177.39 174.54 3ibg s PRO 204 N -2.12 4.50 0.00 3.23 0.02 -1.26 -2.00 135.00 137.38 3ibg s PRO 204 Ca 0.54 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.51 3ibg s PRO 204 Cb -0.48 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 30.86 3ibg s PRO 204 CO 0.63 -0.02 0.00 0.41 -0.33 0.00 0.00 177.00 177.69 3ibg n GLY 205 N 1.53 2.38 1.97 0.52 0.00 -1.26 -4.68 105.19 105.65 3ibg n GLY 205 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.91 2.07 3.63 -0.02 0.00 -0.85 -5.01 105.19 103.11 3ibg n GLY 206 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3ibg n GLY 206 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ibg n GLN 207 N -2.00 1.66 -3.55 1.61 3.00 -1.26 -4.90 117.38 111.94 3ibg n GLN 207 Ca 0.00 0.59 -0.41 0.00 -0.01 0.00 0.00 57.00 57.16 3ibg n GLN 207 Cb 0.00 -2.09 -0.10 0.00 0.00 0.00 0.00 30.24 28.05 3ibg n GLN 207 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3ibg s ASN 208 N -0.22 5.76 0.10 1.08 3.84 -1.26 -4.45 114.94 119.79 3ibg s ASN 208 Ca 0.62 -1.42 -0.28 0.00 0.21 0.00 0.00 52.86 51.99 3ibg s ASN 208 Cb -0.68 -2.04 -0.11 0.00 -0.55 0.00 0.00 41.25 37.87 3ibg s ASN 208 CO 0.57 -0.55 1.64 0.40 -2.79 0.00 0.00 177.10 176.37 3ibg h ILE 209 N 5.98 0.43 0.00 -5.21 2.04 -1.99 -0.46 117.51 118.31 3ibg h ILE 209 Ca -0.24 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3ibg h ILE 209 Cb 1.09 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3ibg h ILE 209 CO 0.78 0.00 0.00 0.44 0.00 0.00 0.00 178.15 179.37 3ibg h ASP 210 N -0.55 0.00 0.45 1.72 3.32 -1.96 0.24 116.42 119.65 3ibg h ASP 210 Ca 0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 3ibg h ASP 210 Cb 0.52 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3ibg h ASP 210 CO -0.08 0.00 -1.62 -0.08 -1.72 0.00 0.00 179.24 175.73 3ibg h GLU 211 N 0.00 0.15 0.03 3.56 4.81 -1.69 -3.29 114.58 118.15 3ibg h GLU 211 Ca 0.00 -0.25 -0.22 0.00 -0.13 0.00 0.00 59.36 58.76 3ibg h GLU 211 Cb 0.17 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3ibg h GLU 211 CO 0.00 0.92 -1.03 -0.07 -0.73 0.00 0.00 179.01 178.10 3ibg h LEU 212 N 0.04 0.12 -2.77 1.64 3.38 -0.56 -3.14 115.31 114.03 3ibg h LEU 212 Ca -0.27 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3ibg h LEU 212 Cb 2.00 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.71 3ibg h LEU 212 CO 0.12 1.07 0.02 0.25 0.09 0.00 0.00 178.44 179.99 3ibg h LEU 213 N 0.03 0.00 0.00 1.67 5.85 -1.06 0.13 115.31 121.92 3ibg h LEU 213 Ca -0.04 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3ibg h LEU 213 Cb 1.77 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.79 3ibg h LEU 213 CO 0.15 0.00 -0.14 1.56 -0.34 0.00 0.00 178.44 179.66 3ibg h GLN 214 N 0.00 0.00 -0.69 1.25 4.20 -1.61 -2.50 115.11 115.76 3ibg h GLN 214 Ca 0.00 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.85 3ibg h GLN 214 Cb 0.04 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.73 3ibg h GLN 214 CO -0.00 0.48 0.19 0.87 -0.67 0.00 0.00 178.83 179.71 3ibg h LYS 215 N -1.00 0.31 -0.53 1.46 1.57 -1.45 0.99 116.57 117.92 3ibg h LYS 215 Ca -0.03 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 3ibg h LYS 215 Cb 0.55 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3ibg h LYS 215 CO -0.02 0.20 0.08 1.98 -0.57 0.00 0.00 179.45 181.13 3ibg h MET 216 N 0.31 0.89 -0.47 3.15 4.05 -0.89 -0.56 114.93 121.41 3ibg h MET 216 Ca 0.38 -0.24 -0.09 0.00 -0.28 0.00 0.00 59.70 59.46 3ibg h MET 216 Cb 0.59 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.27 3ibg h MET 216 CO -0.44 0.86 -0.08 1.49 0.23 0.00 0.00 176.91 178.97 3ibg h GLU 217 N 0.77 0.83 -0.29 0.39 4.22 -0.87 -0.75 114.58 118.88 3ibg h GLU 217 Ca 0.16 -0.27 -0.17 0.00 0.08 0.00 0.00 59.36 59.16 3ibg h GLU 217 Cb 0.41 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 3ibg h GLU 217 CO 0.01 0.89 -0.51 1.03 -2.18 0.00 0.00 179.01 178.25 3ibg h SER 218 N 0.75 0.89 -0.25 1.04 0.87 -0.55 -1.56 113.55 114.74 3ibg h SER 218 Ca 0.13 -0.46 -0.18 0.00 -1.23 0.00 0.00 61.79 60.05 3ibg h SER 218 Cb 0.58 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3ibg h SER 218 CO 0.04 1.24 -0.51 -0.07 -0.53 0.00 0.00 176.83 176.99 3ibg h LEU 219 N 0.63 0.93 -1.23 2.23 3.38 -1.03 -2.36 115.31 117.86 3ibg h LEU 219 Ca 0.02 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 3ibg h LEU 219 Cb 1.10 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3ibg h LEU 219 CO 0.11 1.27 0.09 -0.09 0.09 0.00 0.00 178.44 179.91 3ibg h ARG 220 N 0.65 0.62 -0.23 1.13 2.43 -1.04 0.18 114.38 118.13 3ibg h ARG 220 Ca 0.02 -0.11 -0.18 0.00 -0.81 0.00 0.00 59.98 58.90 3ibg h ARG 220 Cb 1.11 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3ibg h ARG 220 CO 0.11 0.58 -0.55 1.49 -1.51 0.00 0.00 179.97 180.10 3ibg h GLU 221 N 0.61 0.78 -0.22 0.20 4.81 -1.25 -0.89 114.58 118.62 3ibg h GLU 221 Ca 0.14 -0.53 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 3ibg h GLU 221 Cb 0.25 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3ibg h GLU 221 CO -0.00 1.15 0.08 1.15 -0.73 0.00 0.00 179.01 180.66 3ibg h THR 222 N 0.52 1.17 -0.67 0.32 2.02 -0.98 -1.39 112.91 113.91 3ibg h THR 222 Ca -0.00 -0.53 0.02 0.00 0.77 0.00 0.00 66.41 66.66 3ibg h THR 222 Cb 1.16 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 68.65 3ibg h THR 222 CO 0.12 0.17 0.43 0.40 0.37 0.00 0.00 175.52 177.01 3ibg h ILE 223 N 0.20 1.14 -0.52 3.11 1.08 -0.65 -2.76 117.51 119.11 3ibg h ILE 223 Ca 0.07 -0.30 -0.13 0.00 -0.39 0.00 0.00 64.86 64.12 3ibg h ILE 223 Cb 0.19 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 34.12 3ibg h ILE 223 CO -0.00 0.16 -0.16 0.28 -0.69 0.00 0.00 178.15 177.73 3ibg h SER 224 N 0.87 1.04 0.23 1.72 0.02 -1.01 -0.81 113.55 115.60 3ibg h SER 224 Ca 0.25 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3ibg h SER 224 Cb -0.05 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.17 3ibg h SER 224 CO -0.08 1.18 -0.47 -0.33 -1.14 0.00 0.00 176.83 175.99 3ibg h GLU 225 N 0.90 -0.74 -0.77 3.45 5.08 -1.13 -1.15 114.58 120.22 3ibg h GLU 225 Ca 0.13 0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.61 3ibg h GLU 225 Cb 0.74 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.11 3ibg h GLU 225 CO 0.06 -0.49 0.51 0.28 -1.00 0.00 0.00 179.01 178.37 3ibg h VAL 226 N -0.76 1.01 -0.46 3.13 2.07 -1.44 -1.72 116.25 118.08 3ibg h VAL 226 Ca -0.02 -0.27 -0.14 0.00 0.82 0.00 0.00 66.70 67.09 3ibg h VAL 226 Cb 0.73 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3ibg h VAL 226 CO -0.19 0.15 -0.25 -1.13 0.02 0.00 0.00 177.57 176.16 3ibg h ASN 227 N 0.80 1.01 1.49 0.57 -0.73 -0.76 -0.53 115.58 117.42 3ibg h ASN 227 Ca 0.34 -0.40 0.00 0.00 1.87 0.00 0.00 56.30 58.11 3ibg h ASN 227 Cb 0.29 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.61 3ibg h ASN 227 CO -0.12 1.19 0.00 0.71 -0.37 0.00 0.00 177.43 178.84 3ibg h THR 228 N 0.83 0.00 -0.11 -3.57 1.35 -0.88 -2.54 112.91 108.00 3ibg h THR 228 Ca 0.10 -0.64 -0.10 0.00 -0.55 0.00 0.00 66.41 65.21 3ibg h THR 228 Cb 0.83 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3ibg h THR 228 CO 0.07 0.00 -0.34 1.56 -0.25 0.00 0.00 175.52 176.56 3ibg h GLN 229 N 0.00 0.42 -0.89 4.72 4.20 -0.91 -3.16 115.11 119.49 3ibg h GLN 229 Ca 0.00 -0.31 0.16 0.00 0.06 0.00 0.00 58.65 58.56 3ibg h GLN 229 Cb 0.74 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 28.48 3ibg h GLN 229 CO 0.00 0.93 0.49 0.74 -0.67 0.00 0.00 178.83 180.31 3ibg h PHE 230 N -0.01 0.85 -0.06 2.96 -1.00 -0.85 -0.53 116.94 118.29 3ibg h PHE 230 Ca -0.01 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3ibg h PHE 230 Cb 0.96 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 40.28 3ibg h PHE 230 CO 0.11 0.20 0.00 1.63 -1.61 0.00 0.00 178.31 178.65 3ibg n LYS 231 N -4.84 1.17 -3.66 1.51 5.02 -0.98 -4.48 118.16 111.90 3ibg n LYS 231 Ca 0.19 -0.26 -0.39 0.00 -2.02 0.00 0.00 58.31 55.83 3ibg n LYS 231 Cb 0.47 -1.13 -0.12 0.00 -0.02 0.00 0.00 35.03 34.23 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 -1.17 5.54 0.55 4.39 3.84 -0.21 -4.91 114.94 122.98 3ibg s ASN 232 Ca 0.12 -0.94 0.22 0.00 0.21 0.00 0.00 52.86 52.48 3ibg s ASN 232 Cb 0.06 -1.97 1.50 0.00 -0.55 0.00 0.00 41.25 40.29 3ibg s ASN 232 CO 0.09 -0.32 2.18 -0.65 -2.79 0.00 0.00 177.10 175.60 3ibg h PRO 233 N 8.35 0.00 0.00 0.43 0.11 -1.83 0.88 132.00 139.94 3ibg h PRO 233 Ca -0.26 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 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 0.64 0.00 -0.26 -0.44 -0.21 0.00 0.00 178.00 177.73 3ibg h ASP 234 N 0.00 0.00 0.00 -2.05 3.32 -1.93 -3.33 116.42 112.43 3ibg h ASP 234 Ca 0.02 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 3ibg h ASP 234 Cb 0.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3ibg h ASP 234 CO -0.00 0.26 -1.51 0.23 -1.72 0.00 0.00 179.24 176.49 3ibg n MET 235 N -3.63 0.99 -3.75 3.56 2.81 -0.24 -3.18 117.12 113.69 3ibg n MET 235 Ca -0.01 -0.06 -0.15 0.00 -1.81 0.00 0.00 57.70 55.67 3ibg n MET 235 Cb 0.38 -1.24 -0.16 0.00 -0.71 0.00 0.00 33.22 31.50 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 -2.55 -0.07 0.05 2.03 2.01 0.14 -0.62 115.64 116.64 3ibg s THR 236 Ca -0.04 0.23 -0.00 0.00 0.31 0.00 0.00 61.69 62.19 3ibg s THR 236 Cb 0.05 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.37 3ibg s THR 236 CO 0.40 0.10 -0.04 0.28 -0.69 0.00 0.00 174.62 174.67 3ibg s THR 237 N 1.28 0.30 -0.15 -0.82 -1.32 -0.91 -4.23 115.64 109.79 3ibg s THR 237 Ca -0.07 -1.69 0.01 0.00 -1.21 0.00 0.00 61.69 58.73 3ibg s THR 237 Cb -0.12 -1.35 -0.00 0.00 -1.51 0.00 0.00 72.50 69.51 3ibg s THR 237 CO -0.04 -0.89 -0.16 0.12 -2.21 0.00 0.00 174.62 171.43 3ibg s PHE 238 N -3.46 2.76 -0.30 9.09 5.36 0.81 -1.08 117.98 131.16 3ibg s PHE 238 Ca 0.04 -1.06 -0.09 0.00 -0.96 0.00 0.00 56.93 54.86 3ibg s PHE 238 Cb 0.05 -1.87 -0.01 0.00 -0.34 0.00 0.00 43.02 40.85 3ibg s PHE 238 CO -0.08 -0.48 0.13 0.08 -1.46 0.00 0.00 175.22 173.42 3ibg s VAL 239 N 0.77 4.46 0.15 3.12 1.01 0.27 -3.95 120.40 126.24 3ibg s VAL 239 Ca -0.06 -0.43 -0.24 0.00 0.00 0.00 0.00 61.98 61.24 3ibg s VAL 239 Cb -0.15 -3.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.89 3ibg s VAL 239 CO 0.00 0.10 0.74 0.00 0.00 0.00 0.00 175.10 175.94 3ibg s VAL 241 N -1.13 3.08 0.04 0.00 1.01 0.85 0.21 120.40 124.47 3ibg s VAL 241 Ca 0.34 -1.34 -0.27 0.00 0.00 0.00 0.00 61.98 60.72 3ibg s VAL 241 Cb -0.22 -2.41 0.09 0.00 0.00 0.00 0.00 36.38 33.84 3ibg s VAL 241 CO 0.25 0.15 0.76 0.00 0.00 0.00 0.00 175.10 176.25 3ibg s ILE 243 N -3.01 2.93 -1.13 0.00 1.01 -1.26 0.23 121.20 119.97 3ibg s ILE 243 Ca 0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 3ibg s ILE 243 Cb -0.01 -3.13 0.25 0.00 0.01 0.00 0.00 42.46 39.58 3ibg s ILE 243 CO -0.08 -0.11 1.99 0.00 0.00 0.00 0.00 174.94 176.75 3ibg n ALA 244 N -2.43 6.27 -2.64 9.38 0.00 -1.26 -4.31 120.51 125.52 3ibg n ALA 244 Ca 0.06 -4.45 -0.30 0.00 0.00 0.00 0.00 53.44 48.76 3ibg n ALA 244 Cb 0.59 -2.39 -0.08 0.00 0.00 0.00 0.00 19.45 17.58 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 -3.22 2.15 -0.05 0.00 0.41 -1.26 -4.79 118.70 111.93 3ibg s GLU 245 Ca 0.43 -2.21 -0.17 0.00 -0.41 0.00 0.00 54.97 52.62 3ibg s GLU 245 Cb 0.18 -1.68 -0.11 0.00 -1.78 0.00 0.00 34.13 30.74 3ibg s GLU 245 CO -0.11 -0.28 0.67 0.35 -0.49 0.00 0.00 175.26 175.40 3ibg h PHE 246 N 1.40 -0.29 -0.80 1.61 3.57 -1.99 -2.29 116.94 118.14 3ibg h PHE 246 Ca -0.43 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.30 3ibg h PHE 246 Cb 1.29 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 40.09 3ibg h PHE 246 CO 1.15 0.01 0.59 -0.07 -2.23 0.00 0.00 178.31 177.76 3ibg h LEU 247 N -0.99 0.00 0.02 0.59 3.38 -1.98 0.16 115.31 116.49 3ibg h LEU 247 Ca -0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3ibg h LEU 247 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3ibg h LEU 247 CO 0.05 0.00 -0.36 -1.28 0.09 0.00 0.00 178.44 176.95 3ibg h SER 248 N 0.00 0.08 -0.68 -0.43 0.87 -1.87 -2.50 113.55 109.01 3ibg h SER 248 Ca 0.38 -0.91 0.18 0.00 -1.23 0.00 0.00 61.79 60.21 3ibg h SER 248 Cb 1.56 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.46 3ibg h SER 248 CO -0.00 1.15 0.48 -0.07 -0.53 0.00 0.00 176.83 177.86 3ibg h LEU 249 N -0.89 0.09 0.06 2.23 4.07 -0.66 0.11 115.31 120.33 3ibg h LEU 249 Ca -0.08 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 3ibg h LEU 249 Cb 1.16 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.89 3ibg h LEU 249 CO -0.01 0.05 -0.03 0.22 -1.08 0.00 0.00 178.44 177.59 3ibg h TYR 250 N 0.10 -0.07 0.00 1.13 3.20 -0.80 -2.86 116.97 117.67 3ibg h TYR 250 Ca 0.33 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 3ibg h TYR 250 Cb 1.16 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.46 3ibg h TYR 250 CO -0.00 0.52 -0.01 1.49 -1.64 0.00 0.00 178.16 178.53 3ibg h GLU 251 N -0.80 0.00 0.02 1.82 4.57 -0.90 -1.72 114.58 117.56 3ibg h GLU 251 Ca -0.01 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 3ibg h GLU 251 Cb 0.63 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 3ibg h GLU 251 CO 0.01 0.01 -0.20 1.15 -1.18 0.00 0.00 179.01 178.80 3ibg h THR 252 N 0.00 1.63 0.00 0.32 2.02 -0.99 -2.25 112.91 113.64 3ibg h THR 252 Ca -0.00 -2.12 -0.05 0.00 0.77 0.00 0.00 66.41 65.01 3ibg h THR 252 Cb 0.04 3.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.47 3ibg h THR 252 CO 0.00 0.57 -0.24 1.05 0.37 0.00 0.00 175.52 177.27 3ibg h GLU 253 N -0.69 0.00 0.00 6.66 4.11 -1.25 -1.68 114.58 121.74 3ibg h GLU 253 Ca -0.03 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.30 3ibg h GLU 253 Cb 1.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 3ibg h GLU 253 CO 0.04 0.24 -0.50 -0.09 0.07 0.00 0.00 179.01 178.77 3ibg h ARG 254 N 0.00 0.00 0.00 1.06 2.43 -1.35 -2.12 114.38 114.40 3ibg h ARG 254 Ca -0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 3ibg h ARG 254 Cb 0.44 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 3ibg h ARG 254 CO 0.03 0.50 -1.10 1.98 -1.51 0.00 0.00 179.97 179.87 3ibg h MET 255 N 0.00 0.00 0.00 0.20 4.05 -0.86 -3.16 114.93 115.16 3ibg h MET 255 Ca -0.00 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.25 3ibg h MET 255 Cb 0.99 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.77 3ibg h MET 255 CO 0.06 0.25 -0.79 0.82 0.23 0.00 0.00 176.91 177.48 3ibg h ILE 256 N 0.00 1.39 0.31 1.77 2.04 -1.22 -1.74 117.51 120.06 3ibg h ILE 256 Ca -0.09 -2.91 -0.02 0.00 1.00 0.00 0.00 64.86 62.84 3ibg h ILE 256 Cb 1.40 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 40.13 3ibg h ILE 256 CO 0.04 0.78 -0.15 1.56 0.00 0.00 0.00 178.15 180.38 3ibg h GLN 257 N 0.00 -0.40 -0.98 2.37 4.20 -1.48 -0.93 115.11 117.89 3ibg h GLN 257 Ca -0.01 0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.82 3ibg h GLN 257 Cb 1.59 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 29.39 3ibg h GLN 257 CO 0.10 -0.11 0.62 1.49 -0.67 0.00 0.00 178.83 180.26 3ibg h GLU 258 N -0.70 1.03 -0.36 1.46 4.81 -1.56 -0.51 114.58 118.75 3ibg h GLU 258 Ca -0.04 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 3ibg h GLU 258 Cb 0.48 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3ibg h GLU 258 CO 0.07 0.68 0.09 -0.07 -0.73 0.00 0.00 179.01 179.06 3ibg h LEU 259 N 1.07 0.55 -1.37 1.64 3.38 -1.28 -2.29 115.31 117.01 3ibg h LEU 259 Ca 0.45 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3ibg h LEU 259 Cb 0.30 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3ibg h LEU 259 CO -0.21 0.63 -0.16 0.74 0.09 0.00 0.00 178.44 179.53 3ibg h THR 260 N 0.44 1.19 0.17 0.22 2.02 -0.28 -1.33 112.91 115.33 3ibg h THR 260 Ca 0.11 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 3ibg h THR 260 Cb 0.29 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3ibg h THR 260 CO 0.00 0.26 -0.08 0.77 0.37 0.00 0.00 175.52 176.84 3ibg h SER 261 N 0.21 -0.20 0.16 4.18 4.64 -0.89 -2.73 113.55 118.91 3ibg h SER 261 Ca 0.04 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3ibg h SER 261 Cb 0.42 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3ibg h SER 261 CO 0.03 0.10 0.00 1.88 -0.87 0.00 0.00 176.83 177.97 3ibg h TYR 262 N -0.51 0.00 0.00 4.77 0.05 -1.21 -3.45 116.97 116.62 3ibg h TYR 262 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3ibg h TYR 262 Cb 0.39 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.13 3ibg h TYR 262 CO 0.01 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.53 3ibg n GLY 263 N -1.00 0.71 3.62 3.88 0.00 -0.81 -4.93 105.19 106.67 3ibg n GLY 263 Ca -0.01 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 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 5.20 0.29 -0.61 1.01 -0.57 -4.53 121.20 120.00 3ibg s ILE 264 Ca 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 60.65 60.89 3ibg s ILE 264 Cb 0.00 -3.68 -0.12 0.00 0.01 0.00 0.00 42.46 38.68 3ibg s ILE 264 CO 0.00 0.20 1.62 -0.67 0.00 0.00 0.00 174.94 176.09 3ibg n ASP 265 N 5.03 3.94 -3.73 3.58 2.03 -1.26 -4.33 116.55 121.82 3ibg n ASP 265 Ca -0.09 1.14 -0.14 0.00 0.52 0.00 0.00 54.79 56.22 3ibg n ASP 265 Cb 0.51 -1.60 -0.14 0.00 -0.72 0.00 0.00 41.12 39.17 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 0.14 -0.09 0.00 5.18 -1.32 -1.26 -0.13 115.64 118.16 3ibg s THR 266 Ca 0.65 0.20 0.03 0.00 -1.21 0.00 0.00 61.69 61.36 3ibg s THR 266 Cb -0.49 -0.29 0.06 0.00 -1.51 0.00 0.00 72.50 70.27 3ibg s THR 266 CO 0.47 0.08 0.85 0.00 -2.21 0.00 0.00 174.62 173.81 3ibg n HIS 267 N 4.39 0.00 -3.67 9.09 1.44 -1.25 -4.97 115.22 120.24 3ibg n HIS 267 Ca -0.23 -0.12 -0.14 0.00 -2.01 0.00 0.00 57.72 55.22 3ibg n HIS 267 Cb 0.52 0.10 -0.14 0.00 0.12 0.00 0.00 29.99 30.58 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 -0.43 -0.17 1.59 0.00 -1.26 -1.32 121.76 120.17 3ibg s ALA 268 Ca 0.04 0.82 -0.01 0.00 0.00 0.00 0.00 51.96 52.82 3ibg s ALA 268 Cb 0.05 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 22.25 3ibg s ALA 268 CO -0.02 -0.58 -0.13 0.42 0.00 0.00 0.00 175.76 175.45 3ibg s ILE 269 N 2.28 2.86 -0.37 0.00 1.01 0.50 -1.36 121.20 126.12 3ibg s ILE 269 Ca 0.01 -0.70 -0.14 0.00 0.00 0.00 0.00 60.65 59.82 3ibg s ILE 269 Cb -0.12 -2.23 -0.00 0.00 0.01 0.00 0.00 42.46 40.12 3ibg s ILE 269 CO -0.08 0.50 0.28 -0.69 0.00 0.00 0.00 174.94 174.95 3ibg s VAL 270 N 0.90 5.26 -0.51 2.92 1.01 0.13 -0.91 120.40 129.19 3ibg s VAL 270 Ca -0.03 -0.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.40 3ibg s VAL 270 Cb -0.15 -3.82 0.07 0.00 0.00 0.00 0.00 36.38 32.48 3ibg s VAL 270 CO -0.01 -0.15 0.59 -0.69 0.00 0.00 0.00 175.10 174.84 3ibg s VAL 271 N 1.75 4.95 0.48 2.92 1.01 0.51 -0.95 120.40 131.07 3ibg s VAL 271 Ca 0.06 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3ibg s VAL 271 Cb -0.18 -4.29 0.01 0.00 0.00 0.00 0.00 36.38 31.92 3ibg s VAL 271 CO 0.11 -0.81 0.69 0.21 0.00 0.00 0.00 175.10 175.30 3ibg s ASN 272 N 2.83 5.57 -1.73 3.32 2.47 0.13 -1.91 114.94 125.63 3ibg s ASN 272 Ca 0.12 0.04 -0.00 0.00 0.42 0.00 0.00 52.86 53.44 3ibg s ASN 272 Cb -0.21 -1.12 0.00 0.00 -1.45 0.00 0.00 41.25 38.47 3ibg s ASN 272 CO 0.10 -0.89 0.02 0.00 -3.72 0.00 0.00 177.10 172.61 3ibg n GLN 273 N -2.14 -1.81 -2.61 0.43 6.02 -1.18 -4.38 117.38 111.70 3ibg n GLN 273 Ca 0.05 0.98 -0.36 0.00 -0.01 0.00 0.00 57.00 57.65 3ibg n GLN 273 Cb 0.59 -5.65 -0.05 0.00 1.02 0.00 0.00 30.24 26.15 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 -6.03 4.18 -0.02 1.08 1.43 -0.59 -4.24 118.68 114.49 3ibg s LEU 274 Ca 0.01 1.98 -0.15 0.00 -1.03 0.00 0.00 54.13 54.93 3ibg s LEU 274 Cb -0.00 -4.16 -0.06 0.00 0.03 0.00 0.00 46.19 42.00 3ibg s LEU 274 CO 0.01 -0.38 0.42 -0.76 0.23 0.00 0.00 176.35 175.86 3ibg s LEU 275 N -2.52 4.45 0.24 1.79 1.43 -1.26 -0.66 118.68 122.14 3ibg s LEU 275 Ca 0.56 0.94 0.11 0.00 -1.03 0.00 0.00 54.13 54.71 3ibg s LEU 275 Cb -0.21 -2.60 -0.05 0.00 0.03 0.00 0.00 46.19 43.37 3ibg s LEU 275 CO 0.26 0.28 -0.17 -0.36 0.23 0.00 0.00 176.35 176.59 3ibg s PHE 276 N -0.84 2.40 0.45 0.29 0.08 -1.26 -5.01 117.98 114.08 3ibg s PHE 276 Ca 0.24 -0.31 -0.25 0.00 0.12 0.00 0.00 56.93 56.73 3ibg s PHE 276 Cb -0.16 -1.11 -0.08 0.00 -0.57 0.00 0.00 43.02 41.10 3ibg s PHE 276 CO 0.13 0.61 1.37 -2.14 -0.10 0.00 0.00 175.22 175.08 3ibg s PRO 277 N -3.16 3.71 0.00 0.24 0.02 -1.26 -5.14 135.00 129.41 3ibg s PRO 277 Ca 0.26 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.57 3ibg s PRO 277 Cb -0.07 -2.63 0.00 0.00 0.02 0.00 0.00 34.50 31.83 3ibg s PRO 277 CO 0.14 -0.75 0.00 0.41 -0.33 0.00 0.00 177.00 176.47 3ibg n GLY 282 N 0.62 0.70 3.14 0.52 0.00 -1.26 -5.15 105.19 103.75 3ibg n GLY 282 Ca 0.05 0.00 -0.34 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 7.92 -0.36 -0.16 0.00 4.81 -2.07 -3.26 114.58 121.46 3ibg h GLU 284 Ca -0.23 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.07 3ibg h GLU 284 Cb 1.06 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 3ibg h GLU 284 CO 0.52 -0.01 0.13 0.37 -0.73 0.00 0.00 179.01 179.29 3ibg h GLN 285 N -0.89 0.00 0.00 1.92 4.15 -2.01 0.20 115.11 118.48 3ibg h GLN 285 Ca -0.04 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.29 3ibg h GLN 285 Cb 0.51 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 3ibg h GLN 285 CO 0.06 0.00 -0.42 0.00 -1.93 0.00 0.00 178.83 176.54 3ibg h ASN 287 N 0.00 0.92 0.08 0.00 2.35 -0.64 -2.85 115.58 115.44 3ibg h ASN 287 Ca -0.00 -0.33 -0.00 0.00 -0.55 0.00 0.00 56.30 55.42 3ibg h ASN 287 Cb 0.88 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.00 3ibg h ASN 287 CO 0.05 1.02 -0.04 0.00 -1.65 0.00 0.00 177.43 176.82 3ibg h ALA 288 N 0.93 -0.11 -0.67 -0.83 0.00 -1.38 -1.09 119.26 116.11 3ibg h ALA 288 Ca 0.14 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.22 3ibg h ALA 288 Cb 0.58 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3ibg h ALA 288 CO 0.03 -0.56 0.52 -0.09 0.00 0.00 0.00 179.25 179.16 3ibg h ARG 289 N -0.12 0.00 0.05 0.00 9.65 -1.51 0.13 114.38 122.58 3ibg h ARG 289 Ca -0.01 0.00 -0.25 0.00 -1.10 0.00 0.00 59.98 58.62 3ibg h ARG 289 Cb 0.09 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 3ibg h ARG 289 CO 0.02 0.00 -1.18 -0.09 2.80 0.00 0.00 179.97 181.52 3ibg h ARG 290 N 0.00 0.11 -0.25 0.20 2.43 -1.02 -3.00 114.38 112.85 3ibg h ARG 290 Ca 0.32 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3ibg h ARG 290 Cb 1.36 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.97 3ibg h ARG 290 CO -0.00 1.05 0.08 0.87 -1.51 0.00 0.00 179.97 180.46 3ibg h LYS 291 N 0.03 0.35 -0.17 0.20 1.57 0.20 -1.39 116.57 117.37 3ibg h LYS 291 Ca -0.09 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 3ibg h LYS 291 Cb 1.88 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 34.12 3ibg h LYS 291 CO 0.15 0.31 -0.29 0.52 -0.57 0.00 0.00 179.45 179.58 3ibg h MET 292 N 0.35 0.49 -0.92 3.15 2.86 -1.46 -2.85 114.93 116.55 3ibg h MET 292 Ca 0.09 -0.30 0.12 0.00 -2.06 0.00 0.00 59.70 57.54 3ibg h MET 292 Cb 0.11 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 31.72 3ibg h MET 292 CO -0.01 0.90 0.55 1.96 1.06 0.00 0.00 176.91 181.37 3ibg h GLN 293 N 0.12 0.84 -0.95 1.72 4.20 -1.30 -0.76 115.11 118.97 3ibg h GLN 293 Ca 0.01 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.72 3ibg h GLN 293 Cb 0.87 -0.19 -0.06 0.00 0.30 0.00 0.00 27.48 28.40 3ibg h GLN 293 CO 0.07 0.55 0.61 -0.22 -0.67 0.00 0.00 178.83 179.17 3ibg h LYS 294 N 0.86 1.11 0.43 1.46 3.64 -1.15 0.36 116.57 123.29 3ibg h LYS 294 Ca 0.46 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.75 3ibg h LYS 294 Cb 0.48 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3ibg h LYS 294 CO -0.28 0.74 -0.21 0.87 -2.27 0.00 0.00 179.45 178.30 3ibg h LYS 295 N 1.15 -0.56 -0.64 1.90 1.57 -0.94 -0.21 116.57 118.84 3ibg h LYS 295 Ca 0.40 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.29 3ibg h LYS 295 Cb 0.09 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 3ibg h LYS 295 CO -0.15 -0.27 0.43 1.88 -0.57 0.00 0.00 179.45 180.77 3ibg h TYR 296 N -0.83 0.59 -0.09 -1.35 0.05 -1.18 -2.01 116.97 112.14 3ibg h TYR 296 Ca -0.06 0.02 -0.16 0.00 0.05 0.00 0.00 58.73 58.58 3ibg h TYR 296 Cb 0.55 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 3ibg h TYR 296 CO 0.00 0.30 -0.62 1.25 -1.05 0.00 0.00 178.16 178.05 3ibg h LEU 297 N 0.58 0.38 -0.42 3.88 5.85 -0.04 -1.74 115.31 123.79 3ibg h LEU 297 Ca 0.29 -0.22 -0.14 0.00 0.84 0.00 0.00 57.88 58.64 3ibg h LEU 297 Cb 0.37 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3ibg h LEU 297 CO -0.09 0.90 -0.28 -0.33 -0.34 0.00 0.00 178.44 178.30 3ibg h GLU 298 N 0.25 0.94 -0.10 1.25 5.08 -0.42 -1.92 114.58 119.66 3ibg h GLU 298 Ca -0.01 -0.44 0.04 0.00 -1.00 0.00 0.00 59.36 57.95 3ibg h GLU 298 Cb 1.14 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.33 3ibg h GLU 298 CO 0.10 1.11 -0.23 1.96 -1.00 0.00 0.00 179.01 180.94 3ibg h GLN 299 N 0.77 -0.30 -0.38 2.33 4.20 -1.13 -1.12 115.11 119.48 3ibg h GLN 299 Ca 0.08 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.85 3ibg h GLN 299 Cb 0.87 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.68 3ibg h GLN 299 CO 0.08 -0.20 0.17 0.82 -0.67 0.00 0.00 178.83 179.02 3ibg h ILE 300 N -0.31 0.94 0.00 2.54 2.04 -1.22 0.13 117.51 121.63 3ibg h ILE 300 Ca 0.09 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3ibg h ILE 300 Cb 0.45 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3ibg h ILE 300 CO -0.28 0.06 -0.05 -0.33 0.00 0.00 0.00 178.15 177.56 3ibg h GLU 301 N 0.35 0.00 0.00 2.37 4.39 -1.06 -0.71 114.58 119.92 3ibg h GLU 301 Ca 0.16 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 3ibg h GLU 301 Cb 0.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3ibg h GLU 301 CO -0.14 0.05 -0.42 1.49 -1.16 0.00 0.00 179.01 178.83 3ibg h GLU 302 N 0.00 0.00 -0.44 2.33 4.81 0.14 -3.28 114.58 118.14 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 0.11 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3ibg h GLU 302 CO 0.01 0.78 0.28 -0.07 -0.73 0.00 0.00 179.01 179.28 3ibg h LEU 303 N -1.00 0.52 -5.63 1.64 3.38 -0.69 -3.23 115.31 110.30 3ibg h LEU 303 Ca -0.11 -0.03 -0.72 0.00 0.09 0.00 0.00 57.88 57.11 3ibg h LEU 303 Cb 0.92 -0.13 -0.33 0.00 0.09 0.00 0.00 40.66 41.21 3ibg h LEU 303 CO -0.06 0.40 0.37 -1.22 0.09 0.00 0.00 178.44 178.01 3ibg n TYR 304 N -4.76 3.26 -0.13 1.13 4.01 -0.28 -4.72 117.16 115.67 3ibg n TYR 304 Ca 0.01 -3.02 -0.03 0.00 -0.16 0.00 0.00 57.90 54.70 3ibg n TYR 304 Cb 0.04 -0.88 0.20 0.00 -0.31 0.00 0.00 39.34 38.38 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 3.52 0.82 0.00 -0.72 4.81 -1.61 -2.38 114.58 119.02 3ibg h GLU 305 Ca 0.40 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3ibg h GLU 305 Cb 0.39 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3ibg h GLU 305 CO 1.07 0.74 0.00 -0.25 -0.73 0.00 0.00 179.01 179.84 3ibg n ASP 306 N -4.28 0.00 -4.83 1.04 8.00 -1.26 -4.76 116.55 110.46 3ibg n ASP 306 Ca 0.04 -0.97 -0.28 0.00 0.71 0.00 0.00 54.79 54.29 3ibg n ASP 306 Cb 0.22 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.27 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 -2.00 3.26 -0.14 1.24 0.08 -0.90 -4.93 117.98 114.59 3ibg s PHE 307 Ca 0.42 0.06 -0.29 0.00 0.12 0.00 0.00 56.93 57.24 3ibg s PHE 307 Cb 0.19 -1.60 -0.02 0.00 -0.57 0.00 0.00 43.02 41.03 3ibg s PHE 307 CO 0.32 0.53 1.24 -0.80 -0.10 0.00 0.00 175.22 176.41 3ibg s ASN 308 N -2.86 6.97 -0.47 1.36 0.01 -0.43 -4.84 114.94 114.68 3ibg s ASN 308 Ca 0.32 1.71 -0.06 0.00 -0.71 0.00 0.00 52.86 54.12 3ibg s ASN 308 Cb -0.11 -2.54 0.12 0.00 0.41 0.00 0.00 41.25 39.13 3ibg s ASN 308 CO 0.24 -0.72 0.30 -0.69 -1.51 0.00 0.00 177.10 174.72 3ibg s VAL 309 N 3.19 3.74 -0.06 1.60 1.01 -1.26 -0.37 120.40 128.26 3ibg s VAL 309 Ca 0.55 -2.07 -0.25 0.00 0.00 0.00 0.00 61.98 60.21 3ibg s VAL 309 Cb -0.22 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 3ibg s VAL 309 CO 0.16 -0.75 0.75 -0.69 0.00 0.00 0.00 175.10 174.56 3ibg s VAL 310 N 1.06 5.02 -0.25 2.92 1.01 -0.09 -4.46 120.40 125.61 3ibg s VAL 310 Ca 0.08 1.55 -0.07 0.00 0.00 0.00 0.00 61.98 63.55 3ibg s VAL 310 Cb -0.24 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 3ibg s VAL 310 CO -0.03 0.23 0.05 -0.13 0.00 0.00 0.00 175.10 175.23 3ibg s ARG 311 N 0.85 3.54 -0.08 2.72 0.52 -1.26 -0.36 118.95 124.87 3ibg s ARG 311 Ca 0.40 -0.55 0.02 0.00 -0.52 0.00 0.00 55.73 55.08 3ibg s ARG 311 Cb -0.18 -3.27 -0.03 0.00 0.52 0.00 0.00 34.95 31.99 3ibg s ARG 311 CO 0.20 -0.22 -0.11 -1.64 0.02 0.00 0.00 175.30 173.55 3ibg s MET 312 N 1.58 2.82 0.29 3.54 -1.94 -0.80 -4.42 119.30 120.37 3ibg s MET 312 Ca 0.06 -0.63 -0.20 0.00 -1.71 0.00 0.00 55.69 53.20 3ibg s MET 312 Cb -0.15 -2.53 -0.09 0.00 2.01 0.00 0.00 34.83 34.07 3ibg s MET 312 CO 0.02 0.54 0.80 -2.14 -0.01 0.00 0.00 175.02 174.23 3ibg s PRO 313 N -0.48 4.26 0.10 2.03 0.02 -1.26 -1.54 135.00 138.13 3ibg s PRO 313 Ca 0.07 0.95 -0.31 0.00 0.02 0.00 0.00 61.00 61.73 3ibg s PRO 313 Cb -0.12 -2.67 -0.09 0.00 0.02 0.00 0.00 34.50 31.65 3ibg s PRO 313 CO 0.02 0.26 1.55 -1.17 -0.33 0.00 0.00 177.00 177.33 3ibg s LEU 314 N -2.38 4.36 0.35 -5.54 2.96 0.17 -4.46 118.68 114.14 3ibg s LEU 314 Ca 0.50 2.46 0.02 0.00 -0.22 0.00 0.00 54.13 56.89 3ibg s LEU 314 Cb -0.15 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 3ibg s LEU 314 CO 0.20 -0.81 0.53 -0.76 -1.32 0.00 0.00 176.35 174.19 3ibg s LEU 315 N 1.86 3.97 0.29 -0.68 1.43 -1.26 -4.94 118.68 119.35 3ibg s LEU 315 Ca 0.70 0.26 0.18 0.00 -1.03 0.00 0.00 54.13 54.24 3ibg s LEU 315 Cb -0.40 -3.12 0.11 0.00 0.03 0.00 0.00 46.19 42.81 3ibg s LEU 315 CO 0.31 -0.37 1.39 0.58 0.23 0.00 0.00 176.35 178.49 3ibg h VAL 316 N 0.76 0.52 -2.38 -1.59 2.07 -2.04 -3.45 116.25 110.14 3ibg h VAL 316 Ca -0.49 -1.77 -0.58 0.00 0.82 0.00 0.00 66.70 64.68 3ibg h VAL 316 Cb 1.23 2.20 -0.14 0.00 -1.52 0.00 0.00 31.29 33.06 3ibg h VAL 316 CO 0.59 0.30 -0.76 -1.61 0.02 0.00 0.00 177.57 176.11 3ibg s GLU 317 N -3.05 1.61 0.38 1.57 2.02 -1.26 -5.11 118.70 114.85 3ibg s GLU 317 Ca 0.04 -1.72 -0.28 0.00 0.02 0.00 0.00 54.97 53.02 3ibg s GLU 317 Cb 0.07 -1.65 -0.11 0.00 0.10 0.00 0.00 34.13 32.54 3ibg s GLU 317 CO 0.74 0.31 1.48 0.39 0.02 0.00 0.00 175.26 178.20 3ibg n GLU 318 N -0.53 2.66 -2.33 1.61 1.02 -1.26 -4.89 120.64 116.92 3ibg n GLU 318 Ca -0.06 0.93 -0.43 0.00 -0.02 0.00 0.00 57.16 57.59 3ibg n GLU 318 Cb 0.60 -2.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 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 0.43 3.95 -0.08 2.62 0.31 -1.26 -4.62 118.33 119.67 3ibg n VAL 319 Ca 0.01 -3.95 -0.17 0.00 -0.01 0.00 0.00 64.34 60.22 3ibg n VAL 319 Cb 0.39 -2.45 -0.06 0.00 -0.91 0.00 0.00 33.84 30.81 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 6.12 0.36 -0.71 5.55 0.63 -1.26 -4.74 116.66 122.61 3ibg n ARG 320 Ca 0.46 0.16 -0.32 0.00 -0.92 0.00 0.00 57.85 57.22 3ibg n ARG 320 Cb 0.41 -1.10 0.16 0.00 0.45 0.00 0.00 32.46 32.37 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 1.97 -1.52 0.23 5.14 0.00 -1.26 -4.41 105.19 105.34 3ibg n GLY 321 Ca -0.30 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.85 0.64 -0.13 1.61 3.64 -1.91 0.77 116.57 119.34 3ibg h LYS 322 Ca -0.46 -0.34 -0.11 0.00 -1.27 0.00 0.00 60.65 58.47 3ibg h LYS 322 Cb 1.29 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 3ibg h LYS 322 CO 0.38 0.95 -0.38 1.05 -2.27 0.00 0.00 179.45 179.18 3ibg h GLU 323 N 0.52 0.29 0.03 1.90 4.11 -1.99 -0.71 114.58 118.72 3ibg h GLU 323 Ca 0.04 -0.13 -0.27 0.00 0.07 0.00 0.00 59.36 59.07 3ibg h GLU 323 Cb 0.96 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.22 3ibg h GLU 323 CO 0.09 0.63 -1.09 0.87 0.07 0.00 0.00 179.01 179.58 3ibg h LYS 324 N 0.24 0.66 -0.12 1.06 1.57 -1.88 -2.46 116.57 115.65 3ibg h LYS 324 Ca 0.02 -0.75 -0.03 0.00 -1.87 0.00 0.00 60.65 58.03 3ibg h LYS 324 Cb 0.79 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 3ibg h LYS 324 CO 0.06 1.32 -0.06 -0.07 -0.57 0.00 0.00 179.45 180.14 3ibg h LEU 325 N 0.35 0.15 0.45 2.94 3.38 -0.69 0.05 115.31 121.94 3ibg h LEU 325 Ca -0.14 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3ibg h LEU 325 Cb 1.74 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.46 3ibg h LEU 325 CO 0.21 0.24 -0.21 -0.08 0.09 0.00 0.00 178.44 178.69 3ibg h GLU 326 N 0.17 -0.58 -1.00 1.13 4.57 -1.10 -0.24 114.58 117.52 3ibg h GLU 326 Ca 0.04 0.04 0.20 0.00 -1.18 0.00 0.00 59.36 58.46 3ibg h GLU 326 Cb 0.22 0.13 -0.11 0.00 -0.16 0.00 0.00 28.75 28.83 3ibg h GLU 326 CO 0.01 -0.33 0.61 -0.22 -1.18 0.00 0.00 179.01 177.90 3ibg h LYS 327 N -1.11 0.70 -0.43 1.92 1.63 -1.34 0.61 116.57 118.54 3ibg h LYS 327 Ca -0.06 -0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 59.58 3ibg h LYS 327 Cb 0.51 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 3ibg h LYS 327 CO 0.10 0.46 -0.19 0.35 -3.45 0.00 0.00 179.45 176.72 3ibg h PHE 328 N 0.72 1.02 0.00 1.91 3.57 -0.99 -3.17 116.94 120.01 3ibg h PHE 328 Ca 0.59 -0.25 -0.05 0.00 3.53 0.00 0.00 57.97 61.79 3ibg h PHE 328 Cb 0.98 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 3ibg h PHE 328 CO -0.00 1.04 -0.26 0.66 -2.23 0.00 0.00 178.31 177.51 3ibg h SER 329 N 0.72 0.00 -0.30 0.41 4.64 0.95 -2.46 113.55 117.52 3ibg h SER 329 Ca 0.10 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.43 3ibg h SER 329 Cb 0.76 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 3ibg h SER 329 CO 0.06 0.26 0.20 -0.33 -0.87 0.00 0.00 176.83 176.14 3ibg h GLU 330 N 0.00 0.34 0.00 4.77 4.39 -1.19 -1.55 114.58 121.34 3ibg h GLU 330 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3ibg h GLU 330 Cb 0.48 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3ibg h GLU 330 CO 0.03 0.22 0.00 -1.33 -1.16 0.00 0.00 179.01 176.78 3ibg n MET 331 N -4.49 0.40 0.12 2.33 2.81 -0.92 -1.20 117.12 116.16 3ibg n MET 331 Ca 0.02 0.06 0.13 0.00 -1.81 0.00 0.00 57.70 56.09 3ibg n MET 331 Cb 0.11 -1.50 0.28 0.00 -0.71 0.00 0.00 33.22 31.40 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 -1.42 -3.35 115.31 117.95 3ibg h LEU 332 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ibg h LEU 332 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3ibg h LEU 332 CO 0.00 0.02 -0.19 0.55 0.09 0.00 0.00 178.44 178.91 3ibg n VAL 333 N -2.42 0.00 -3.68 1.22 3.14 -0.85 -0.77 118.33 114.97 3ibg n VAL 333 Ca 0.04 -0.31 -0.30 0.00 -2.96 0.00 0.00 64.34 60.82 3ibg n VAL 333 Cb 0.46 0.86 -0.15 0.00 -1.06 0.00 0.00 33.84 33.96 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 -1.01 1.46 0.04 1.45 3.76 -0.34 -4.86 115.29 115.79 3ibg s HIS 334 Ca 0.00 -1.69 -0.38 0.00 -0.15 0.00 0.00 55.06 52.84 3ibg s HIS 334 Cb 0.00 -1.56 -0.19 0.00 1.11 0.00 0.00 32.58 31.94 3ibg s HIS 334 CO 0.00 -0.86 1.08 -2.30 -0.85 0.00 0.00 174.74 171.81 3ibg n PRO 335 N 4.69 0.25 -2.23 8.40 -0.02 -1.26 -4.36 135.00 140.47 3ibg n PRO 335 Ca -0.00 0.09 -0.39 0.00 -2.02 0.00 0.00 63.50 61.18 3ibg n PRO 335 Cb 0.41 -1.58 -0.02 0.00 -0.02 0.00 0.00 33.50 32.29 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 -0.00 3.04 -0.01 6.00 5.04 -1.26 -5.05 117.35 125.11 3ibg s TYR 336 Ca 0.87 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 57.02 3ibg s TYR 336 Cb -1.17 -3.48 0.01 0.00 0.35 0.00 0.00 41.96 37.67 3ibg s TYR 336 CO 0.55 -1.51 0.01 0.14 -1.34 0.00 0.00 175.55 173.40 3ibg s VAL 337 N -1.33 -0.00 0.00 3.14 -7.23 -1.26 -5.10 120.40 108.62 3ibg s VAL 337 Ca 0.55 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.79 3ibg s VAL 337 Cb -0.34 -0.05 0.00 0.00 0.56 0.00 0.00 36.38 36.55 3ibg s VAL 337 CO 0.43 0.04 0.00 -2.65 -0.31 0.00 0.00 175.10 172.61