#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 0.32 0.67 3.23 -1.94 -1.26 -5.14 119.30 115.18 3ibg s MET 13 Ca 0.00 -0.54 -0.17 0.00 -1.71 0.00 0.00 55.69 53.27 3ibg s MET 13 Cb 0.00 -0.98 -0.09 0.00 2.01 0.00 0.00 34.83 35.77 3ibg s MET 13 CO 0.00 -1.06 0.19 -0.85 -0.01 0.00 0.00 175.02 173.28 3ibg n GLU 14 N 5.02 0.21 -0.99 2.03 0.00 -1.26 -4.54 120.64 121.12 3ibg n GLU 14 Ca -0.01 0.09 -0.14 0.00 0.00 0.00 0.00 57.16 57.11 3ibg n GLU 14 Cb 0.43 -1.48 -0.15 0.00 0.00 0.00 0.00 31.44 30.24 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 0.38 2.06 -3.91 3.44 -0.02 -1.26 -4.39 135.00 131.31 3ibg n PRO 15 Ca 0.08 -1.06 -0.11 0.00 -2.02 0.00 0.00 63.50 60.39 3ibg n PRO 15 Cb 0.49 -2.05 -0.12 0.00 -0.02 0.00 0.00 33.50 31.80 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 1.19 0.05 -1.03 3.45 2.01 -1.26 -4.37 115.64 115.67 3ibg s THR 16 Ca 0.64 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 62.27 3ibg s THR 16 Cb 0.29 -0.16 0.18 0.00 0.01 0.00 0.00 72.50 72.82 3ibg s THR 16 CO -0.01 -0.22 0.84 0.18 -0.69 0.00 0.00 174.62 174.72 3ibg n LEU 17 N 2.36 1.88 -0.23 4.42 4.77 -0.32 -4.28 117.00 125.60 3ibg n LEU 17 Ca -0.18 -0.95 -0.07 0.00 -0.03 0.00 0.00 56.01 54.78 3ibg n LEU 17 Cb 0.58 -0.47 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 3ibg n LEU 17 CO 0.23 0.32 0.98 -0.61 -1.33 0.00 0.00 177.39 176.98 3ibg h GLN 18 N 0.93 0.99 -0.67 3.23 4.15 -1.90 -2.38 115.11 119.46 3ibg h GLN 18 Ca 0.00 -0.19 0.13 0.00 0.77 0.00 0.00 58.65 59.36 3ibg h GLN 18 Cb 0.73 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.23 3ibg h GLN 18 CO 0.09 0.84 0.45 0.66 -1.93 0.00 0.00 178.83 178.95 3ibg h SER 19 N 0.92 0.33 0.01 -0.69 4.64 -1.98 -1.75 113.55 115.03 3ibg h SER 19 Ca 0.21 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.51 3ibg h SER 19 Cb 0.24 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3ibg h SER 19 CO -0.01 0.18 -0.17 0.40 -0.87 0.00 0.00 176.83 176.37 3ibg h ILE 20 N 0.36 1.61 0.00 0.95 2.04 -1.76 -3.13 117.51 117.58 3ibg h ILE 20 Ca 0.32 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 64.17 3ibg h ILE 20 Cb 0.76 2.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.77 3ibg h ILE 20 CO -0.09 0.54 0.00 -0.07 0.00 0.00 0.00 178.15 178.53 3ibg h LEU 21 N -0.66 0.00 0.00 1.44 3.38 -1.16 -1.27 115.31 117.04 3ibg h LEU 21 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3ibg h LEU 21 Cb 0.97 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3ibg h LEU 21 CO 0.03 0.00 -0.65 0.28 0.09 0.00 0.00 178.44 178.19 3ibg h SER 22 N 0.00 0.00 -2.99 -0.43 0.02 -1.32 -3.44 113.55 105.39 3ibg h SER 22 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 3ibg h SER 22 Cb 0.06 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.53 3ibg h SER 22 CO 0.00 0.15 1.05 -1.10 -1.14 0.00 0.00 176.83 175.79 3ibg s GLN 23 N -3.20 3.40 0.00 3.45 -0.21 -0.48 -4.84 119.66 117.78 3ibg s GLN 23 Ca 0.02 0.38 0.29 0.00 0.02 0.00 0.00 55.36 56.07 3ibg s GLN 23 Cb 0.08 -4.07 1.27 0.00 1.00 0.00 0.00 33.01 31.28 3ibg s GLN 23 CO 0.75 -1.82 1.87 1.63 -2.12 0.00 0.00 175.29 175.60 3ibg n LYS 24 N 8.56 1.46 0.03 2.91 5.02 -1.26 -3.16 118.16 131.72 3ibg n LYS 24 Ca 0.11 -0.69 0.11 0.00 -2.02 0.00 0.00 58.31 55.82 3ibg n LYS 24 Cb 0.49 -1.49 0.10 0.00 -0.02 0.00 0.00 35.03 34.11 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 -0.17 0.17 -1.96 -0.18 -2.24 -1.26 -4.91 114.28 103.73 3ibg n THR 25 Ca 0.20 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 3ibg n THR 25 Cb 0.29 0.18 -0.03 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 -3.77 4.37 0.00 3.22 1.43 -1.19 -4.34 118.68 118.41 3ibg s LEU 26 Ca 0.06 2.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.81 3ibg s LEU 26 Cb 0.15 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.76 3ibg s LEU 26 CO 0.77 -0.79 0.00 0.54 0.23 0.00 0.00 176.35 177.10 3ibg n ARG 27 N 3.32 2.53 -4.02 1.70 1.74 0.36 -4.73 116.66 117.55 3ibg n ARG 27 Ca 0.11 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.85 3ibg n ARG 27 Cb 0.39 -1.00 -0.15 0.00 -1.02 0.00 0.00 32.46 30.68 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 -1.99 2.96 -0.33 -1.55 0.52 -0.35 0.04 118.94 118.23 3ibg s TRP 28 Ca 0.00 -1.57 0.03 0.00 0.02 0.00 0.00 56.10 54.58 3ibg s TRP 28 Cb 0.00 -2.00 0.10 0.00 -1.15 0.00 0.00 33.47 30.42 3ibg s TRP 28 CO 0.00 -0.75 0.05 0.42 0.02 0.00 0.00 176.95 176.69 3ibg s ILE 29 N 1.31 2.06 0.41 2.03 1.01 -0.00 -2.27 121.20 125.76 3ibg s ILE 29 Ca 0.02 -2.17 -0.24 0.00 0.00 0.00 0.00 60.65 58.26 3ibg s ILE 29 Cb -0.15 -2.51 -0.09 0.00 0.01 0.00 0.00 42.46 39.72 3ibg s ILE 29 CO -0.08 -0.59 1.08 -0.36 0.00 0.00 0.00 174.94 175.00 3ibg s PHE 30 N 1.02 3.16 -0.16 3.97 0.08 -0.69 -1.01 117.98 124.35 3ibg s PHE 30 Ca 0.10 1.61 -0.00 0.00 0.12 0.00 0.00 56.93 58.76 3ibg s PHE 30 Cb -0.19 -3.20 0.04 0.00 -0.57 0.00 0.00 43.02 39.10 3ibg s PHE 30 CO -0.10 -0.88 -0.06 0.08 -0.10 0.00 0.00 175.22 174.15 3ibg s VAL 31 N -1.62 1.13 0.09 -0.44 1.01 -0.39 -1.08 120.40 119.11 3ibg s VAL 31 Ca 0.59 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 62.02 3ibg s VAL 31 Cb -0.24 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 3ibg s VAL 31 CO 0.30 0.17 -0.12 -0.83 0.00 0.00 0.00 175.10 174.62 3ibg s GLY 32 N 1.63 0.90 0.00 4.51 0.00 -0.76 -2.20 107.32 111.40 3ibg s GLY 32 Ca 0.01 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.60 3ibg s GLY 32 CO -0.08 -1.19 0.00 0.61 0.00 0.00 0.00 173.10 172.44 3ibg n GLY 33 N 0.82 1.20 3.79 0.20 0.00 -1.26 -0.24 105.19 109.70 3ibg n GLY 33 Ca -0.18 0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 3.82 0.00 1.61 2.20 -1.26 -4.60 119.74 121.51 3ibg s LYS 34 Ca 0.00 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 3ibg s LYS 34 Cb 0.00 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 3ibg s LYS 34 CO 0.00 0.52 0.00 0.41 -0.36 0.00 0.00 175.35 175.92 3ibg n GLY 35 N 2.81 1.64 2.44 5.54 0.00 -1.26 -4.52 105.19 111.84 3ibg n GLY 35 Ca -0.18 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.77 0.18 0.64 -0.02 0.00 -1.26 -4.92 105.19 99.04 3ibg n GLY 36 Ca 0.00 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.77 0.18 -0.28 1.61 0.24 -1.26 -4.88 118.33 110.17 3ibg n VAL 37 Ca -0.02 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 3ibg n VAL 37 Cb 0.54 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 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 1.20 1.08 0.27 7.63 0.00 -1.26 -4.64 105.19 109.48 3ibg n GLY 38 Ca 0.17 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.60 -0.58 1.61 3.64 -1.90 -2.61 116.57 116.13 3ibg h LYS 39 Ca 0.00 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.54 3ibg h LYS 39 Cb 0.11 0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 31.96 3ibg h LYS 39 CO 0.00 -0.32 -0.09 1.15 -2.27 0.00 0.00 179.45 177.92 3ibg h THR 40 N -1.07 0.46 -0.40 1.00 2.02 -1.94 -0.02 112.91 112.95 3ibg h THR 40 Ca -0.06 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3ibg h THR 40 Cb 0.55 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3ibg h THR 40 CO 0.10 0.01 0.25 0.74 0.37 0.00 0.00 175.52 177.00 3ibg h THR 41 N 0.04 1.11 -0.20 3.16 2.02 -1.94 -1.97 112.91 115.13 3ibg h THR 41 Ca 0.29 -0.23 -0.16 0.00 0.77 0.00 0.00 66.41 67.08 3ibg h THR 41 Cb 0.46 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3ibg h THR 41 CO -0.56 0.11 -0.51 0.74 0.37 0.00 0.00 175.52 175.67 3ibg h THR 42 N 0.55 1.31 -0.38 3.16 2.02 -0.65 -1.60 112.91 117.32 3ibg h THR 42 Ca 0.15 -1.74 0.04 0.00 0.77 0.00 0.00 66.41 65.63 3ibg h THR 42 Cb -0.04 1.89 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 3ibg h THR 42 CO -0.03 0.55 0.15 0.28 0.37 0.00 0.00 175.52 176.84 3ibg h SER 43 N 0.39 0.19 -0.39 4.18 0.02 -0.58 0.46 113.55 117.83 3ibg h SER 43 Ca -0.01 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 3ibg h SER 43 Cb 1.13 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 3ibg h SER 43 CO 0.11 0.15 0.03 0.00 -1.14 0.00 0.00 176.83 175.98 3ibg h SER 45 N 0.50 0.73 -0.05 0.00 0.02 -0.80 -0.67 113.55 113.29 3ibg h SER 45 Ca 0.11 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 60.82 3ibg h SER 45 Cb 0.42 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3ibg h SER 45 CO 0.01 0.69 -0.21 0.25 -1.14 0.00 0.00 176.83 176.44 3ibg h LEU 46 N 0.72 0.43 -0.17 5.07 5.85 -0.09 -1.59 115.31 125.53 3ibg h LEU 46 Ca 0.18 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 3ibg h LEU 46 Cb 0.18 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 3ibg h LEU 46 CO -0.02 0.65 -0.14 0.00 -0.34 0.00 0.00 178.44 178.59 3ibg h ALA 47 N 1.39 0.25 -0.83 1.25 0.00 -1.15 -1.64 119.26 118.53 3ibg h ALA 47 Ca 0.06 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.69 3ibg h ALA 47 Cb 0.59 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3ibg h ALA 47 CO 0.04 0.12 0.53 0.82 0.00 0.00 0.00 179.25 180.76 3ibg h ILE 48 N 0.05 1.12 0.00 0.00 2.04 -0.93 0.14 117.51 119.93 3ibg h ILE 48 Ca 0.03 -0.35 -0.10 0.00 1.00 0.00 0.00 64.86 65.44 3ibg h ILE 48 Cb 0.67 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3ibg h ILE 48 CO 0.04 0.19 -0.46 -0.61 0.00 0.00 0.00 178.15 177.31 3ibg h GLN 49 N 1.02 0.00 -0.05 2.37 5.75 -1.30 -3.06 115.11 119.84 3ibg h GLN 49 Ca 0.33 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.63 3ibg h GLN 49 Cb 0.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.57 3ibg h GLN 49 CO -0.12 0.46 -0.82 -0.07 -2.65 0.00 0.00 178.83 175.62 3ibg h LEU 50 N 0.00 0.56 -2.50 -2.39 3.38 -0.11 -3.07 115.31 111.18 3ibg h LEU 50 Ca -0.00 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 3ibg h LEU 50 Cb 0.85 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3ibg h LEU 50 CO 0.06 1.17 -0.02 0.00 0.09 0.00 0.00 178.44 179.73 3ibg h ALA 51 N 0.81 1.19 0.00 1.53 0.00 -0.68 0.10 119.26 122.21 3ibg h ALA 51 Ca -0.05 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3ibg h ALA 51 Cb 1.43 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3ibg h ALA 51 CO 0.14 0.03 -0.41 0.87 0.00 0.00 0.00 179.25 179.88 3ibg h LYS 52 N 0.00 0.00 0.00 0.00 1.57 -1.56 -3.37 116.57 113.21 3ibg h LYS 52 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3ibg h LYS 52 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3ibg h LYS 52 CO 0.00 0.41 -1.24 0.28 -0.57 0.00 0.00 179.45 178.33 3ibg n VAL 53 N -3.48 0.20 -4.04 0.50 0.31 -0.60 -5.04 118.33 106.18 3ibg n VAL 53 Ca 0.00 -0.14 -0.26 0.00 -0.01 0.00 0.00 64.34 63.92 3ibg n VAL 53 Cb 0.55 -0.64 -0.05 0.00 -0.91 0.00 0.00 33.84 32.79 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 -2.13 3.06 0.15 5.55 1.81 0.26 -5.03 118.95 122.62 3ibg s ARG 54 Ca -0.02 -0.78 -0.17 0.00 -1.72 0.00 0.00 55.73 53.04 3ibg s ARG 54 Cb 0.01 -2.75 0.02 0.00 -0.45 0.00 0.00 34.95 31.79 3ibg s ARG 54 CO 0.15 0.50 1.76 -0.22 -0.68 0.00 0.00 175.30 176.81 3ibg h LYS 55 N 2.38 0.25 -2.68 3.54 3.64 -1.88 -3.43 116.57 118.40 3ibg h LYS 55 Ca -0.48 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 58.79 3ibg h LYS 55 Cb 1.20 -0.06 -0.21 0.00 -0.41 0.00 0.00 32.23 32.75 3ibg h LYS 55 CO 0.65 0.17 -0.14 -1.54 -2.27 0.00 0.00 179.45 176.32 3ibg s SER 56 N -5.36 -0.38 -0.06 4.20 1.04 -1.26 -4.80 113.70 107.07 3ibg s SER 56 Ca -0.13 0.49 0.01 0.00 0.48 0.00 0.00 55.95 56.80 3ibg s SER 56 Cb 0.11 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.80 3ibg s SER 56 CO 0.70 -0.40 -0.08 -0.69 0.98 0.00 0.00 173.24 173.75 3ibg s VAL 57 N -0.82 0.87 -0.14 5.02 1.01 0.75 -2.15 120.40 124.94 3ibg s VAL 57 Ca -0.09 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 3ibg s VAL 57 Cb -0.03 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 3ibg s VAL 57 CO 0.04 0.30 0.01 -0.22 0.00 0.00 0.00 175.10 175.23 3ibg s LEU 58 N 0.92 3.53 -0.46 3.92 2.96 -0.49 -1.29 118.68 127.77 3ibg s LEU 58 Ca -0.10 0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.79 3ibg s LEU 58 Cb -0.15 -1.85 0.12 0.00 0.50 0.00 0.00 46.19 44.82 3ibg s LEU 58 CO 0.01 0.24 0.27 -0.22 -1.32 0.00 0.00 176.35 175.33 3ibg s LEU 59 N -0.04 5.32 0.03 -0.68 2.96 0.24 -0.46 118.68 126.05 3ibg s LEU 59 Ca 0.03 -2.19 -0.04 0.00 -0.22 0.00 0.00 54.13 51.72 3ibg s LEU 59 Cb -0.13 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 3ibg s LEU 59 CO 0.02 -0.53 0.25 0.27 -1.32 0.00 0.00 176.35 175.04 3ibg s ILE 60 N 0.92 5.34 -0.10 6.68 -4.36 -0.84 -0.90 121.20 127.93 3ibg s ILE 60 Ca 0.10 -0.03 -0.01 0.00 -0.26 0.00 0.00 60.65 60.45 3ibg s ILE 60 Cb -0.23 -3.58 0.03 0.00 1.25 0.00 0.00 42.46 39.93 3ibg s ILE 60 CO -0.04 0.28 -0.06 -0.55 0.24 0.00 0.00 174.94 174.82 3ibg s SER 61 N -1.98 2.01 0.00 4.36 0.15 -0.68 -0.91 113.70 116.65 3ibg s SER 61 Ca 0.30 -0.24 0.25 0.00 0.70 0.00 0.00 55.95 56.96 3ibg s SER 61 Cb -0.13 -0.73 0.53 0.00 -1.71 0.00 0.00 66.02 63.98 3ibg s SER 61 CO 0.20 -0.14 1.43 0.41 1.20 0.00 0.00 173.24 176.34 3ibg n THR 62 N 4.99 0.00 -1.86 6.45 -1.04 -0.52 -1.84 114.28 120.45 3ibg n THR 62 Ca -0.11 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.46 3ibg n THR 62 Cb 0.50 0.27 -0.03 0.00 -1.82 0.00 0.00 70.33 69.25 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 -2.95 6.23 0.62 8.00 -1.08 -1.22 -4.50 116.67 121.76 3ibg s ASP 63 Ca 0.12 2.06 0.37 0.00 -0.52 0.00 0.00 52.55 54.58 3ibg s ASP 63 Cb 0.18 -2.53 2.03 0.00 -1.46 0.00 0.00 42.92 41.14 3ibg s ASP 63 CO 0.68 -1.31 2.27 1.55 0.52 0.00 0.00 175.17 178.88 3ibg h PRO 64 N 11.49 0.00 0.00 4.34 0.13 -1.93 -1.19 132.00 144.85 3ibg h PRO 64 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3ibg h PRO 64 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3ibg h PRO 64 CO 0.97 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.76 3ibg h ALA 65 N 1.98 1.00 -6.68 -0.56 0.00 -2.00 -3.47 119.26 109.53 3ibg h ALA 65 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3ibg h ALA 65 Cb 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 3ibg h ALA 65 CO 0.00 0.00 -0.94 0.72 0.00 0.00 0.00 179.25 179.03 3ibg n HIS 66 N -2.85 -1.54 0.82 0.00 8.25 -0.45 -4.79 115.22 114.66 3ibg n HIS 66 Ca 0.04 0.54 0.09 0.00 -0.26 0.00 0.00 57.72 58.13 3ibg n HIS 66 Cb 0.45 -3.28 0.45 0.00 1.12 0.00 0.00 29.99 28.72 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 -2.77 0.00 0.28 0.41 4.13 -1.26 -2.86 115.26 113.19 3ibg n ASN 67 Ca -0.25 0.10 0.13 0.00 1.68 0.00 0.00 54.58 56.25 3ibg n ASN 67 Cb 0.65 -0.32 0.79 0.00 -1.54 0.00 0.00 39.78 39.37 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 -1.93 -0.43 115.31 122.21 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 0.19 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3ibg h LEU 68 CO 0.00 0.07 -0.02 0.28 -0.34 0.00 0.00 178.44 178.43 3ibg h SER 69 N 0.00 0.00 -0.81 1.25 0.02 -1.72 -3.25 113.55 109.03 3ibg h SER 69 Ca -0.00 -0.01 0.24 0.00 -0.84 0.00 0.00 61.79 61.18 3ibg h SER 69 Cb 0.18 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 3ibg h SER 69 CO 0.01 0.51 0.68 0.44 -1.14 0.00 0.00 176.83 177.33 3ibg h ASP 70 N -1.00 0.00 -0.04 3.07 3.32 -1.68 0.32 116.42 120.40 3ibg h ASP 70 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3ibg h ASP 70 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3ibg h ASP 70 CO -0.00 0.00 -0.25 0.00 -1.72 0.00 0.00 179.24 177.27 3ibg h ALA 71 N 1.41 0.08 -0.01 3.45 0.00 -1.21 -3.29 119.26 119.70 3ibg h ALA 71 Ca 0.39 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ibg h ALA 71 Cb 1.74 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3ibg h ALA 71 CO -0.00 0.10 -0.19 1.19 0.00 0.00 0.00 179.25 180.35 3ibg n PHE 72 N -4.50 0.00 -3.54 0.00 3.72 -0.58 -4.46 117.46 108.09 3ibg n PHE 72 Ca -0.09 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.11 3ibg n PHE 72 Cb 0.47 -0.07 0.06 0.00 -0.94 0.00 0.00 39.48 39.00 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 -0.58 3.64 1.37 0.00 0.10 -4.83 105.19 106.19 3ibg n GLY 73 Ca 0.14 0.26 -0.09 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 -5.50 0.66 -0.15 1.61 0.74 -1.10 -5.04 119.66 110.88 3ibg s GLN 74 Ca 0.16 0.92 -0.29 0.00 0.05 0.00 0.00 55.36 56.19 3ibg s GLN 74 Cb -0.03 0.25 -0.00 0.00 1.10 0.00 0.00 33.01 34.32 3ibg s GLN 74 CO 0.78 -0.10 1.02 0.21 -0.55 0.00 0.00 175.29 176.65 3ibg s LYS 75 N 0.84 4.37 0.12 1.67 2.20 -1.26 -4.35 119.74 123.33 3ibg s LYS 75 Ca -0.03 1.38 0.08 0.00 -0.36 0.00 0.00 55.97 57.03 3ibg s LYS 75 Cb -0.05 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 3ibg s LYS 75 CO -0.09 -0.42 -0.10 -0.06 -0.36 0.00 0.00 175.35 174.32 3ibg s PHE 76 N 2.40 2.71 0.00 4.03 0.08 -1.26 -5.04 117.98 120.89 3ibg s PHE 76 Ca 0.47 -0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.34 3ibg s PHE 76 Cb -0.17 -1.40 0.00 0.00 -0.57 0.00 0.00 43.02 40.88 3ibg s PHE 76 CO 0.14 0.44 0.00 0.41 -0.10 0.00 0.00 175.22 176.12 3ibg n GLY 77 N 0.54 5.84 0.03 4.36 0.00 -1.26 -4.79 105.19 109.91 3ibg n GLY 77 Ca -0.13 -1.62 0.14 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 -3.41 1.61 4.81 -1.25 0.48 118.16 120.61 3ibg n LYS 78 Ca 0.00 -0.06 -0.38 0.00 -0.87 0.00 0.00 58.31 57.00 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 -2.84 4.25 -0.15 1.64 0.41 -1.26 -4.77 118.70 115.99 3ibg s GLU 79 Ca 0.18 0.25 -0.29 0.00 -0.41 0.00 0.00 54.97 54.70 3ibg s GLU 79 Cb 0.19 -3.47 -0.05 0.00 -1.78 0.00 0.00 34.13 29.02 3ibg s GLU 79 CO 0.56 0.11 1.96 0.00 -0.49 0.00 0.00 175.26 177.39 3ibg s ALA 80 N 0.84 3.14 0.41 5.21 0.00 -1.26 -4.71 121.76 125.38 3ibg s ALA 80 Ca 0.21 0.83 0.08 0.00 0.00 0.00 0.00 51.96 53.07 3ibg s ALA 80 Cb -0.14 -3.94 -0.01 0.00 0.00 0.00 0.00 23.12 19.02 3ibg s ALA 80 CO 0.07 -2.19 0.43 1.03 0.00 0.00 0.00 175.76 175.10 3ibg s ARG 81 N 5.29 2.66 -0.18 0.00 0.52 -0.98 -4.91 118.95 121.36 3ibg s ARG 81 Ca 0.88 -1.41 -0.16 0.00 -0.52 0.00 0.00 55.73 54.52 3ibg s ARG 81 Cb -0.33 -2.51 -0.04 0.00 0.52 0.00 0.00 34.95 32.59 3ibg s ARG 81 CO 0.35 -0.17 0.39 -1.17 0.02 0.00 0.00 175.30 174.72 3ibg s LEU 82 N -4.18 4.20 0.19 2.53 2.96 -1.26 -1.39 118.68 121.73 3ibg s LEU 82 Ca 0.49 0.57 -0.32 0.00 -0.22 0.00 0.00 54.13 54.66 3ibg s LEU 82 Cb -0.06 -2.52 -0.11 0.00 0.50 0.00 0.00 46.19 44.00 3ibg s LEU 82 CO 0.29 -0.03 1.65 -0.69 -1.32 0.00 0.00 176.35 176.25 3ibg s VAL 83 N 1.01 2.30 0.16 1.68 1.01 -0.01 -4.88 120.40 121.66 3ibg s VAL 83 Ca 0.20 0.22 -0.27 0.00 0.00 0.00 0.00 61.98 62.13 3ibg s VAL 83 Cb -0.14 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.10 3ibg s VAL 83 CO 0.07 0.02 1.57 0.44 0.00 0.00 0.00 175.10 177.20 3ibg h ASP 84 N 6.75 -1.55 -0.02 3.32 3.32 -1.94 -1.73 116.42 124.57 3ibg h ASP 84 Ca -0.43 0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 3ibg h ASP 84 Cb 1.20 0.69 -0.00 0.00 0.22 0.00 0.00 39.33 41.44 3ibg h ASP 84 CO 0.93 -0.35 0.00 0.61 -1.72 0.00 0.00 179.24 178.71 3ibg n GLY 85 N -1.40 1.57 3.34 2.75 0.00 -1.26 -4.86 105.19 105.33 3ibg n GLY 85 Ca 0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.02 1.59 0.00 1.61 2.02 -0.65 -5.07 117.35 115.84 3ibg s TYR 86 Ca 0.02 -1.30 0.00 0.00 -0.37 0.00 0.00 57.07 55.42 3ibg s TYR 86 Cb 0.01 -0.89 0.00 0.00 -0.40 0.00 0.00 41.96 40.68 3ibg s TYR 86 CO 0.01 -0.44 0.00 -1.13 -1.57 0.00 0.00 175.55 172.41 3ibg n SER 87 N -0.80 3.94 0.00 2.29 3.41 -1.26 -4.78 113.62 116.43 3ibg n SER 87 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3ibg n SER 87 Cb 0.65 0.66 0.00 0.00 -0.26 0.00 0.00 64.21 65.26 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 -1.35 1.30 -4.39 4.04 6.94 -1.26 -5.01 115.26 115.54 3ibg n ASN 88 Ca 0.00 -1.55 -0.35 0.00 -0.02 0.00 0.00 54.58 52.66 3ibg n ASN 88 Cb 0.13 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.41 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 -0.55 3.05 0.07 -4.53 2.96 -1.26 -0.17 118.68 118.25 3ibg s LEU 89 Ca 0.00 -0.29 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 3ibg s LEU 89 Cb 0.00 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 3ibg s LEU 89 CO 0.00 0.05 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.51 3ibg s SER 90 N 1.09 1.50 -0.01 3.68 0.01 -0.41 -0.83 113.70 118.73 3ibg s SER 90 Ca 0.01 -0.64 0.02 0.00 1.31 0.00 0.00 55.95 56.66 3ibg s SER 90 Cb -0.15 -0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.05 3ibg s SER 90 CO 0.00 -0.13 -0.07 0.00 0.41 0.00 0.00 173.24 173.46 3ibg s ALA 91 N -1.48 0.56 0.08 1.44 0.00 -0.49 0.82 121.76 122.68 3ibg s ALA 91 Ca -0.02 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.67 3ibg s ALA 91 Cb -0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 3ibg s ALA 91 CO 0.02 0.14 -0.07 0.00 0.00 0.00 0.00 175.76 175.84 3ibg s MET 92 N -0.16 0.71 -0.26 0.00 0.23 -0.08 -2.31 119.30 117.44 3ibg s MET 92 Ca 0.03 -1.11 0.02 0.00 -1.03 0.00 0.00 55.69 53.60 3ibg s MET 92 Cb -0.03 -0.25 0.06 0.00 -1.53 0.00 0.00 34.83 33.09 3ibg s MET 92 CO -0.00 0.01 -0.10 -1.21 -2.03 0.00 0.00 175.02 171.69 3ibg s GLU 93 N -2.93 2.29 0.11 3.16 2.02 0.18 -1.69 118.70 121.83 3ibg s GLU 93 Ca 0.03 -1.32 -0.30 0.00 0.02 0.00 0.00 54.97 53.39 3ibg s GLU 93 Cb -0.01 -2.91 -0.07 0.00 0.10 0.00 0.00 34.13 31.24 3ibg s GLU 93 CO -0.03 -0.56 1.22 0.42 0.02 0.00 0.00 175.26 176.33 3ibg s ILE 94 N 1.12 3.79 -0.03 -1.63 -1.09 -0.77 -3.82 121.20 118.78 3ibg s ILE 94 Ca -0.08 1.36 -0.14 0.00 -2.23 0.00 0.00 60.65 59.56 3ibg s ILE 94 Cb -0.20 -3.87 -0.05 0.00 -1.58 0.00 0.00 42.46 36.76 3ibg s ILE 94 CO -0.05 0.15 0.38 -1.81 -1.23 0.00 0.00 174.94 172.37 3ibg s ASP 95 N 0.73 6.74 0.06 3.58 1.01 -1.26 -4.70 116.67 122.83 3ibg s ASP 95 Ca 0.57 0.87 -0.21 0.00 0.71 0.00 0.00 52.55 54.50 3ibg s ASP 95 Cb -0.31 -2.23 -0.12 0.00 1.01 0.00 0.00 42.92 41.27 3ibg s ASP 95 CO 0.32 0.30 1.50 -0.65 0.21 0.00 0.00 175.17 176.85 3ibg h PRO 96 N 4.97 0.28 -4.25 8.23 0.11 -1.96 -3.47 132.00 135.92 3ibg h PRO 96 Ca -0.51 -0.09 -0.24 0.00 0.11 0.00 0.00 66.00 65.27 3ibg h PRO 96 Cb 1.22 -0.03 0.10 0.00 0.11 0.00 0.00 31.00 32.40 3ibg h PRO 96 CO 0.63 0.50 -0.47 0.09 -0.21 0.00 0.00 178.00 178.54 3ibg n ASN 97 N -4.75 -3.63 -4.75 -2.05 5.03 -1.26 -4.69 115.26 99.17 3ibg n ASN 97 Ca -0.05 -0.37 -0.41 0.00 0.87 0.00 0.00 54.58 54.62 3ibg n ASN 97 Cb 0.21 -3.48 -0.04 0.00 -1.02 0.00 0.00 39.78 35.45 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 -3.50 2.90 0.49 7.41 0.00 -1.26 -3.82 107.32 109.53 3ibg s GLY 98 Ca 0.22 0.88 0.04 0.00 0.00 0.00 0.00 44.72 45.86 3ibg s GLY 98 CO 0.47 1.64 0.68 -1.35 0.00 0.00 0.00 173.10 174.54 3ibg s SER 99 N -0.36 5.46 0.21 1.64 1.04 -1.26 -4.96 113.70 115.48 3ibg s SER 99 Ca 0.48 -0.20 -0.09 0.00 0.48 0.00 0.00 55.95 56.62 3ibg s SER 99 Cb -0.31 -0.79 0.15 0.00 0.10 0.00 0.00 66.02 65.18 3ibg s SER 99 CO 0.38 -0.95 1.82 0.40 0.98 0.00 0.00 173.24 175.86 3ibg h ILE 100 N 0.34 1.24 0.06 -1.02 2.04 -2.00 -1.88 117.51 116.29 3ibg h ILE 100 Ca -0.41 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 64.85 3ibg h ILE 100 Cb 1.29 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3ibg h ILE 100 CO 0.49 0.27 -0.22 1.56 0.00 0.00 0.00 178.15 180.25 3ibg h GLN 101 N 1.08 -0.37 -0.77 2.37 1.08 -1.98 -0.92 115.11 115.61 3ibg h GLN 101 Ca 0.27 0.02 0.15 0.00 -1.45 0.00 0.00 58.65 57.65 3ibg h GLN 101 Cb 0.07 0.08 -0.15 0.00 -0.05 0.00 0.00 27.48 27.43 3ibg h GLN 101 CO -0.04 -0.24 -0.19 -0.44 -0.95 0.00 0.00 178.83 176.97 3ibg h ASP 102 N -0.38 -0.71 -0.09 1.46 5.19 -1.78 0.11 116.42 120.22 3ibg h ASP 102 Ca 0.04 0.23 -0.01 0.00 -0.62 0.00 0.00 57.03 56.67 3ibg h ASP 102 Cb 0.43 0.48 -0.00 0.00 0.18 0.00 0.00 39.33 40.41 3ibg h ASP 102 CO -0.16 -0.25 0.02 0.25 -3.12 0.00 0.00 179.24 175.98 3ibg h LEU 103 N 0.00 0.15 -2.24 1.55 5.85 -1.16 -2.89 115.31 116.56 3ibg h LEU 103 Ca 0.37 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3ibg h LEU 103 Cb 0.56 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 3ibg h LEU 103 CO -0.79 0.37 0.09 -0.07 -0.34 0.00 0.00 178.44 177.70 3ibg h LEU 104 N -0.08 0.00 -0.18 2.25 3.38 0.45 -1.96 115.31 119.17 3ibg h LEU 104 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ibg h LEU 104 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3ibg h LEU 104 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3ibg h ALA 105 N 1.91 1.00 -3.00 1.53 0.00 -0.66 -3.51 119.26 116.53 3ibg h ALA 105 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ibg h ALA 105 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ibg h ALA 105 CO -0.00 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 3ibg n SER 106 N -2.76 0.00 0.00 0.00 3.41 -0.74 -5.11 113.62 108.41 3ibg n SER 106 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3ibg n SER 106 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.03 4.33 1.13 -1.26 -5.11 117.38 116.49 3ibg n GLN 125 Ca 0.00 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.18 3ibg n GLN 125 Cb 0.00 0.00 0.14 0.00 0.11 0.00 0.00 30.24 30.49 3ibg n GLN 125 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3ibg n ASP 126 N 0.00 0.62 -0.90 1.08 5.68 -1.26 -3.97 116.55 117.80 3ibg n ASP 126 Ca 0.00 -0.14 0.00 0.00 -0.50 0.00 0.00 54.79 54.15 3ibg n ASP 126 Cb 0.00 0.42 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 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 -1.85 2.25 -0.00 -2.12 4.32 -1.26 -3.32 117.00 115.01 3ibg n LEU 127 Ca 0.04 -1.12 0.03 0.00 -0.02 0.00 0.00 56.01 54.93 3ibg n LEU 127 Cb 0.40 -0.43 -0.12 0.00 -1.62 0.00 0.00 43.42 41.65 3ibg n LEU 127 CO 0.37 0.39 -0.61 0.00 -1.22 0.00 0.00 177.39 176.32 3ibg n ALA 128 N 0.47 2.21 -1.45 -1.18 0.00 -1.25 -4.08 120.51 115.22 3ibg n ALA 128 Ca 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 53.44 52.68 3ibg n ALA 128 Cb 0.39 -0.73 0.19 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.61 1.44 0.28 0.00 3.72 -1.21 -4.73 117.46 114.35 3ibg n PHE 129 Ca -0.12 -1.71 0.12 0.00 -0.05 0.00 0.00 57.45 55.69 3ibg n PHE 129 Cb 0.78 -0.57 0.06 0.00 -0.94 0.00 0.00 39.48 38.81 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 1.06 0.00 -3.48 4.37 4.64 -1.77 -3.44 113.55 114.92 3ibg h SER 130 Ca 0.29 -0.09 -0.61 0.00 -0.47 0.00 0.00 61.79 60.91 3ibg h SER 130 Cb 1.79 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.75 3ibg h SER 130 CO 0.52 0.04 -0.39 -0.63 -0.87 0.00 0.00 176.83 175.51 3ibg s ILE 131 N -3.29 5.31 0.69 0.95 -1.09 -1.26 -4.99 121.20 117.51 3ibg s ILE 131 Ca 0.02 0.39 -0.13 0.00 -2.23 0.00 0.00 60.65 58.70 3ibg s ILE 131 Cb 0.11 -3.58 0.01 0.00 -1.58 0.00 0.00 42.46 37.42 3ibg s ILE 131 CO 0.76 0.33 1.08 -2.84 -1.23 0.00 0.00 174.94 173.05 3ibg s PRO 132 N 1.00 2.76 0.61 2.79 0.02 -1.26 -4.99 135.00 135.92 3ibg s PRO 132 Ca 0.12 1.21 -0.05 0.00 0.02 0.00 0.00 61.00 62.30 3ibg s PRO 132 Cb -0.14 -1.96 0.02 0.00 0.02 0.00 0.00 34.50 32.45 3ibg s PRO 132 CO 0.05 -1.26 0.90 0.20 -0.33 0.00 0.00 177.00 176.56 3ibg s GLY 133 N -3.09 1.64 0.35 0.52 0.00 -1.26 -4.94 107.32 100.53 3ibg s GLY 133 Ca 0.63 -0.83 0.07 0.00 0.00 0.00 0.00 44.72 44.59 3ibg s GLY 133 CO 0.48 -0.53 1.84 -2.08 0.00 0.00 0.00 173.10 172.80 3ibg h VAL 134 N -0.22 1.22 -0.26 1.40 2.07 -1.93 -1.99 116.25 116.54 3ibg h VAL 134 Ca -0.45 -1.02 -0.14 0.00 0.82 0.00 0.00 66.70 65.92 3ibg h VAL 134 Cb 1.27 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 3ibg h VAL 134 CO 0.60 0.31 -0.41 0.44 0.02 0.00 0.00 177.57 178.53 3ibg h ASP 135 N 0.27 0.66 -0.07 0.57 3.32 -1.94 -0.88 116.42 118.35 3ibg h ASP 135 Ca 0.05 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.76 3ibg h ASP 135 Cb 0.51 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 3ibg h ASP 135 CO 0.03 0.99 -0.12 -0.08 -1.72 0.00 0.00 179.24 178.34 3ibg h GLU 136 N 0.51 0.20 -0.34 3.56 4.81 -1.61 -2.33 114.58 119.37 3ibg h GLU 136 Ca 0.04 -0.13 0.06 0.00 -0.13 0.00 0.00 59.36 59.21 3ibg h GLU 136 Cb 0.93 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.26 3ibg h GLU 136 CO 0.08 0.70 -0.02 0.00 -0.73 0.00 0.00 179.01 179.05 3ibg h ALA 137 N 0.50 0.29 -0.67 2.92 0.00 -1.34 -1.87 119.26 119.09 3ibg h ALA 137 Ca 0.00 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3ibg h ALA 137 Cb 0.69 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3ibg h ALA 137 CO 0.03 -0.41 0.38 0.52 0.00 0.00 0.00 179.25 179.76 3ibg h MET 138 N 0.08 0.69 -0.23 0.00 2.86 -1.21 -1.95 114.93 115.16 3ibg h MET 138 Ca 0.16 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3ibg h MET 138 Cb 0.23 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3ibg h MET 138 CO -0.29 0.45 0.15 1.03 1.06 0.00 0.00 176.91 179.32 3ibg h SER 139 N 0.71 0.27 -0.92 1.22 0.87 -0.81 -1.27 113.55 113.61 3ibg h SER 139 Ca 0.30 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 3ibg h SER 139 Cb 0.17 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 3ibg h SER 139 CO -0.17 0.19 0.53 0.15 -0.53 0.00 0.00 176.83 177.01 3ibg h PHE 140 N 0.32 1.24 -0.99 2.24 3.57 -1.22 -1.96 116.94 120.14 3ibg h PHE 140 Ca 0.09 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.60 3ibg h PHE 140 Cb -0.04 -0.40 -0.06 0.00 2.79 0.00 0.00 35.95 38.25 3ibg h PHE 140 CO -0.06 0.84 0.65 0.00 -2.23 0.00 0.00 178.31 177.51 3ibg h ALA 141 N 1.29 1.35 -0.45 2.41 0.00 -0.88 -0.28 119.26 122.70 3ibg h ALA 141 Ca 0.33 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3ibg h ALA 141 Cb -0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 3ibg h ALA 141 CO -0.06 0.56 0.05 0.93 0.00 0.00 0.00 179.25 180.73 3ibg h GLU 142 N 1.26 0.71 -0.19 0.00 4.39 -0.52 -1.37 114.58 118.86 3ibg h GLU 142 Ca 0.39 -0.16 -0.12 0.00 0.34 0.00 0.00 59.36 59.82 3ibg h GLU 142 Cb -0.02 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3ibg h GLU 142 CO -0.12 0.69 -0.33 0.28 -1.16 0.00 0.00 179.01 178.37 3ibg h VAL 143 N 0.68 1.34 -0.98 3.13 2.07 -0.66 -1.60 116.25 120.23 3ibg h VAL 143 Ca 0.14 -1.56 0.08 0.00 0.82 0.00 0.00 66.70 66.18 3ibg h VAL 143 Cb 0.35 1.88 -0.07 0.00 -1.52 0.00 0.00 31.29 31.93 3ibg h VAL 143 CO 0.01 0.48 0.63 -0.07 0.02 0.00 0.00 177.57 178.64 3ibg h LEU 144 N 0.22 0.97 0.30 2.57 3.38 -0.97 0.75 115.31 122.53 3ibg h LEU 144 Ca 0.01 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ibg h LEU 144 Cb 0.92 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3ibg h LEU 144 CO 0.08 0.59 -0.25 0.50 0.09 0.00 0.00 178.44 179.44 3ibg h LYS 145 N 1.08 -0.54 -0.16 1.13 3.64 -1.04 -1.67 116.57 119.01 3ibg h LYS 145 Ca 0.44 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.90 3ibg h LYS 145 Cb 0.28 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 3ibg h LYS 145 CO -0.19 -0.36 -0.40 1.96 -2.27 0.00 0.00 179.45 178.19 3ibg h GLN 146 N -0.56 -0.44 -0.75 1.90 4.20 -0.57 -2.69 115.11 116.19 3ibg h GLN 146 Ca -0.02 0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.83 3ibg h GLN 146 Cb 0.50 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.33 3ibg h GLN 146 CO -0.02 -0.29 0.50 0.28 -0.67 0.00 0.00 178.83 178.62 3ibg h VAL 147 N -0.45 0.91 0.00 -0.54 2.07 -0.69 0.23 116.25 117.77 3ibg h VAL 147 Ca 0.09 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 3ibg h VAL 147 Cb 0.61 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3ibg h VAL 147 CO -0.41 0.11 -0.39 0.50 0.02 0.00 0.00 177.57 177.41 3ibg h LYS 148 N 0.62 0.00 -0.31 1.57 3.64 -0.99 -2.89 116.57 118.22 3ibg h LYS 148 Ca 0.35 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.61 3ibg h LYS 148 Cb 0.53 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3ibg h LYS 148 CO -0.13 0.39 -0.31 0.77 -2.27 0.00 0.00 179.45 177.90 3ibg h SER 149 N 0.00 0.69 0.47 4.20 0.02 -0.32 -3.00 113.55 115.60 3ibg h SER 149 Ca -0.00 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 3ibg h SER 149 Cb 0.71 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 3ibg h SER 149 CO 0.05 0.95 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.53 3ibg h LEU 150 N 0.56 0.00 -2.92 5.07 3.38 -1.27 -3.47 115.31 116.66 3ibg h LEU 150 Ca 0.07 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.68 3ibg h LEU 150 Cb 0.81 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.69 3ibg h LEU 150 CO 0.07 0.09 -0.90 -1.20 0.09 0.00 0.00 178.44 176.59 3ibg n SER 151 N -3.44 -5.88 -4.77 -0.43 7.64 -1.14 -4.98 113.62 100.63 3ibg n SER 151 Ca -0.01 -0.89 -0.40 0.00 1.01 0.00 0.00 58.87 58.58 3ibg n SER 151 Cb 0.24 -4.09 -0.06 0.00 -1.01 0.00 0.00 64.21 59.30 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 -3.42 3.90 0.07 1.43 2.02 -1.26 -5.00 117.35 115.09 3ibg s TYR 152 Ca 0.46 1.68 -0.24 0.00 -0.37 0.00 0.00 57.07 58.60 3ibg s TYR 152 Cb -0.13 -2.83 -0.16 0.00 -0.40 0.00 0.00 41.96 38.44 3ibg s TYR 152 CO 0.81 0.46 1.66 1.49 -1.57 0.00 0.00 175.55 178.41 3ibg h GLU 153 N 4.51 -0.08 -4.05 -0.62 4.57 -1.89 -3.45 114.58 113.57 3ibg h GLU 153 Ca -0.46 0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 57.57 3ibg h GLU 153 Cb 1.21 0.02 -0.20 0.00 -0.16 0.00 0.00 28.75 29.62 3ibg h GLU 153 CO 0.67 0.00 -0.70 0.54 -1.18 0.00 0.00 179.01 178.35 3ibg s VAL 154 N -5.92 0.14 -0.10 0.32 0.11 -0.92 -4.76 120.40 109.29 3ibg s VAL 154 Ca -0.14 -1.13 0.03 0.00 -2.93 0.00 0.00 61.98 57.82 3ibg s VAL 154 Cb 0.05 -0.57 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 3ibg s VAL 154 CO 0.66 -0.62 -0.21 -0.63 -3.33 0.00 0.00 175.10 170.96 3ibg s ILE 155 N -2.06 1.87 -0.15 7.04 1.01 0.11 -1.40 121.20 127.61 3ibg s ILE 155 Ca -0.10 -0.90 -0.14 0.00 0.00 0.00 0.00 60.65 59.51 3ibg s ILE 155 Cb -0.06 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.74 3ibg s ILE 155 CO -0.03 0.52 0.29 -0.69 0.00 0.00 0.00 174.94 175.03 3ibg s VAL 156 N 0.46 5.30 -0.50 2.92 1.01 0.39 -0.82 120.40 129.16 3ibg s VAL 156 Ca -0.17 0.55 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 3ibg s VAL 156 Cb -0.17 -3.63 0.13 0.00 0.00 0.00 0.00 36.38 32.71 3ibg s VAL 156 CO 0.07 0.41 0.32 0.12 0.00 0.00 0.00 175.10 176.01 3ibg s PHE 157 N 0.35 3.51 -0.78 5.22 5.99 -0.18 -1.99 117.98 130.10 3ibg s PHE 157 Ca 0.17 -2.39 -0.26 0.00 0.00 0.00 0.00 56.93 54.45 3ibg s PHE 157 Cb -0.13 -3.29 0.01 0.00 0.00 0.00 0.00 43.02 39.61 3ibg s PHE 157 CO 0.04 -0.94 1.56 0.34 -0.00 0.00 0.00 175.22 176.22 3ibg s ASP 158 N 1.68 5.86 0.89 6.13 2.15 -0.08 -1.26 116.67 132.03 3ibg s ASP 158 Ca 0.11 -0.46 -0.12 0.00 0.43 0.00 0.00 52.55 52.50 3ibg s ASP 158 Cb -0.22 -2.55 0.12 0.00 -0.30 0.00 0.00 42.92 39.97 3ibg s ASP 158 CO -0.03 -2.04 1.11 0.42 -0.17 0.00 0.00 175.17 174.46 3ibg s THR 159 N 7.05 2.41 -0.08 1.71 -4.23 -0.93 -1.44 115.64 120.12 3ibg s THR 159 Ca 0.50 0.13 -0.25 0.00 -1.18 0.00 0.00 61.69 60.89 3ibg s THR 159 Cb -0.08 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 70.91 3ibg s THR 159 CO 0.10 -0.17 0.79 0.00 -0.54 0.00 0.00 174.62 174.79 3ibg s ALA 160 N -3.16 3.35 -0.03 3.99 0.00 -1.26 -4.17 121.76 120.47 3ibg s ALA 160 Ca 0.63 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.78 3ibg s ALA 160 Cb -0.15 -3.11 0.05 0.00 0.00 0.00 0.00 23.12 19.91 3ibg s ALA 160 CO 0.54 -0.27 1.08 -2.30 0.00 0.00 0.00 175.76 174.81 3ibg n PRO 161 N 4.19 1.09 0.00 0.00 -0.02 -1.26 -3.93 135.00 135.06 3ibg n PRO 161 Ca 0.02 -0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 3ibg n PRO 161 Cb 0.51 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.90 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 0.40 0.00 1.64 3.45 -2.24 -1.26 -4.23 114.28 112.04 3ibg n THR 162 Ca 0.04 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.97 3ibg n THR 162 Cb 0.58 -1.02 0.67 0.00 -2.10 0.00 0.00 70.33 68.46 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 -0.51 1.28 3.38 0.00 -1.26 -3.89 105.19 109.18 3ibg n GLY 163 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.43 1.29 -0.22 1.61 8.25 -1.26 -4.81 115.22 119.64 3ibg n HIS 164 Ca 0.20 -1.79 0.02 0.00 -0.26 0.00 0.00 57.72 55.88 3ibg n HIS 164 Cb 0.26 -0.47 0.14 0.00 1.12 0.00 0.00 29.99 31.03 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 1.22 0.73 -0.68 1.59 2.02 -1.68 -2.23 112.91 113.88 3ibg h THR 165 Ca 0.23 -0.15 -0.31 0.00 0.77 0.00 0.00 66.41 66.95 3ibg h THR 165 Cb 1.44 0.26 -0.19 0.00 -1.74 0.00 0.00 68.15 67.93 3ibg h THR 165 CO 0.45 0.08 0.29 0.18 0.37 0.00 0.00 175.52 176.89 3ibg n LEU 166 N -4.99 5.56 -0.08 2.58 4.77 -1.26 -4.55 117.00 119.02 3ibg n LEU 166 Ca 0.11 -3.55 0.00 0.00 -0.03 0.00 0.00 56.01 52.54 3ibg n LEU 166 Cb 0.32 -0.73 0.29 0.00 -2.33 0.00 0.00 43.42 40.97 3ibg n LEU 166 CO 0.21 1.05 1.07 -0.09 -1.33 0.00 0.00 177.39 178.30 3ibg h ARG 167 N 1.39 0.71 0.00 3.23 2.43 -1.76 -2.55 114.38 117.83 3ibg h ARG 167 Ca 0.38 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3ibg h ARG 167 Cb 2.27 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.69 3ibg h ARG 167 CO 0.74 0.58 0.00 0.27 -1.51 0.00 0.00 179.97 180.04 3ibg h PHE 168 N 0.71 0.00 0.00 2.20 -5.15 -1.83 -1.88 116.94 111.00 3ibg h PHE 168 Ca 0.17 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.94 3ibg h PHE 168 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.29 3ibg h PHE 168 CO 0.01 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.60 3ibg n LEU 169 N -2.31 0.00 0.01 2.10 4.77 -0.96 -2.12 117.00 118.49 3ibg n LEU 169 Ca -0.00 0.24 0.11 0.00 -0.03 0.00 0.00 56.01 56.33 3ibg n LEU 169 Cb 0.11 -0.24 0.14 0.00 -2.33 0.00 0.00 43.42 41.10 3ibg n LEU 169 CO 0.14 -0.04 0.28 0.00 -1.33 0.00 0.00 177.39 176.44 3ibg n GLN 170 N -1.24 0.06 -0.21 3.23 6.02 -0.70 -4.41 117.38 120.13 3ibg n GLN 170 Ca 0.13 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.15 3ibg n GLN 170 Cb 0.18 -1.52 0.27 0.00 1.02 0.00 0.00 30.24 30.19 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 0.90 -0.06 1.08 0.04 -1.61 -0.32 116.94 116.97 3ibg h PHE 171 Ca 0.00 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3ibg h PHE 171 Cb 0.55 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 3ibg h PHE 171 CO 0.00 0.54 0.03 -1.35 -0.60 0.00 0.00 178.31 176.93 3ibg h PRO 172 N 0.95 0.09 -0.05 1.51 0.11 -1.80 -0.49 132.00 132.32 3ibg h PRO 172 Ca 0.29 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.29 3ibg h PRO 172 Cb -0.02 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 3ibg h PRO 172 CO -0.07 0.15 -0.42 1.79 -0.21 0.00 0.00 178.00 179.23 3ibg h THR 173 N 0.00 1.31 -0.28 -1.15 1.35 -1.76 -1.08 112.91 111.30 3ibg h THR 173 Ca 0.02 -1.50 -0.06 0.00 -0.55 0.00 0.00 66.41 64.32 3ibg h THR 173 Cb 0.09 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 3ibg h THR 173 CO -0.00 0.44 -0.05 0.58 -0.25 0.00 0.00 175.52 176.23 3ibg h VAL 174 N 0.08 1.28 0.00 6.82 2.07 -0.90 -2.31 116.25 123.29 3ibg h VAL 174 Ca 0.01 -1.05 -0.12 0.00 0.82 0.00 0.00 66.70 66.36 3ibg h VAL 174 Cb 0.79 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 3ibg h VAL 174 CO 0.06 0.33 -0.56 -0.07 0.02 0.00 0.00 177.57 177.35 3ibg h LEU 175 N 0.29 0.00 -0.31 2.57 3.38 -0.95 -2.36 115.31 117.93 3ibg h LEU 175 Ca 0.07 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 3ibg h LEU 175 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3ibg h LEU 175 CO 0.02 0.56 -0.59 -0.33 0.09 0.00 0.00 178.44 178.20 3ibg h GLU 176 N 0.00 0.82 -0.27 1.13 5.08 -1.16 0.35 114.58 120.52 3ibg h GLU 176 Ca -0.01 -0.54 -0.09 0.00 -1.00 0.00 0.00 59.36 57.73 3ibg h GLU 176 Cb 1.03 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3ibg h GLU 176 CO 0.07 1.17 -0.21 0.87 -1.00 0.00 0.00 179.01 179.91 3ibg h LYS 177 N 0.61 0.50 0.31 2.33 1.57 -1.35 -1.63 116.57 118.91 3ibg h LYS 177 Ca 0.00 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3ibg h LYS 177 Cb 1.19 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3ibg h LYS 177 CO 0.13 0.68 -0.15 0.00 -0.57 0.00 0.00 179.45 179.54 3ibg h ALA 178 N 1.33 -0.42 -0.13 3.86 0.00 -1.27 -1.43 119.26 121.20 3ibg h ALA 178 Ca 0.07 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3ibg h ALA 178 Cb 0.61 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3ibg h ALA 178 CO 0.04 -0.57 0.24 1.25 0.00 0.00 0.00 179.25 180.22 3ibg h LEU 179 N -0.76 0.00 0.00 0.00 5.85 -0.85 0.16 115.31 119.71 3ibg h LEU 179 Ca -0.04 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3ibg h LEU 179 Cb 0.50 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 3ibg h LEU 179 CO 0.07 0.00 -0.04 0.00 -0.34 0.00 0.00 178.44 178.13 3ibg h ALA 180 N 1.64 0.00 -0.34 1.25 0.00 -1.09 -2.22 119.26 118.50 3ibg h ALA 180 Ca 0.06 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.85 3ibg h ALA 180 Cb 0.55 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3ibg h ALA 180 CO -0.00 0.03 0.25 -0.22 0.00 0.00 0.00 179.25 179.30 3ibg h LYS 181 N -1.00 0.00 -0.10 0.00 1.63 -0.77 0.87 116.57 117.19 3ibg h LYS 181 Ca -0.01 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.56 3ibg h LYS 181 Cb 0.41 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.05 3ibg h LYS 181 CO -0.00 0.00 -0.85 1.25 -3.45 0.00 0.00 179.45 176.39 3ibg h LEU 182 N 0.00 0.93 -0.57 5.20 5.85 -0.78 -2.88 115.31 123.06 3ibg h LEU 182 Ca 0.16 -0.66 -0.16 0.00 0.84 0.00 0.00 57.88 58.06 3ibg h LEU 182 Cb 0.65 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3ibg h LEU 182 CO -0.00 1.45 -0.70 -1.28 -0.34 0.00 0.00 178.44 177.58 3ibg h SER 183 N 0.48 0.15 -0.31 1.25 0.87 -0.50 -2.50 113.55 112.99 3ibg h SER 183 Ca -0.08 -0.10 -0.12 0.00 -1.23 0.00 0.00 61.79 60.26 3ibg h SER 183 Cb 1.49 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.40 3ibg h SER 183 CO 0.17 0.80 -0.25 -0.61 -0.53 0.00 0.00 176.83 176.40 3ibg h GLN 184 N 0.08 0.81 0.00 2.24 4.15 -0.95 -1.53 115.11 119.92 3ibg h GLN 184 Ca -0.01 -0.35 -0.04 0.00 0.77 0.00 0.00 58.65 59.01 3ibg h GLN 184 Cb 1.24 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.89 3ibg h GLN 184 CO 0.10 0.98 -0.21 -0.07 -1.93 0.00 0.00 178.83 177.69 3ibg h LEU 185 N 0.70 0.00 0.00 -2.39 3.38 -1.44 -2.83 115.31 112.72 3ibg h LEU 185 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ibg h LEU 185 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3ibg h LEU 185 CO 0.06 0.21 0.00 -0.24 0.09 0.00 0.00 178.44 178.57 3ibg n SER 186 N -3.53 0.00 -0.00 -0.43 2.88 -0.59 -1.71 113.62 110.24 3ibg n SER 186 Ca -0.01 -0.87 0.08 0.00 -1.33 0.00 0.00 58.87 56.74 3ibg n SER 186 Cb 0.37 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.71 3ibg n SER 186 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3ibg n SER 187 N -0.99 1.00 -3.51 -3.46 7.64 -1.07 -4.53 113.62 108.70 3ibg n SER 187 Ca 0.21 -0.35 -0.38 0.00 1.01 0.00 0.00 58.87 59.35 3ibg n SER 187 Cb 0.09 1.47 0.01 0.00 -1.01 0.00 0.00 64.21 64.77 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 -1.81 5.02 -3.64 1.43 3.00 -0.70 -5.15 117.38 115.53 3ibg n GLN 188 Ca -0.01 -4.71 -0.03 0.00 -0.01 0.00 0.00 57.00 52.25 3ibg n GLN 188 Cb 0.37 -2.43 -0.05 0.00 0.00 0.00 0.00 30.24 28.13 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 -4.15 -0.06 0.00 1.08 5.36 -1.25 -4.97 117.98 114.00 3ibg s PHE 189 Ca 0.41 0.10 0.00 0.00 -0.96 0.00 0.00 56.93 56.48 3ibg s PHE 189 Cb 0.20 0.49 0.00 0.00 -0.34 0.00 0.00 43.02 43.38 3ibg s PHE 189 CO -0.13 -0.05 0.00 0.45 -1.46 0.00 0.00 175.22 174.04 3ibg n SER 195 N 0.72 0.00 -0.39 6.13 2.88 -1.26 -5.03 113.62 116.68 3ibg n SER 195 Ca -0.02 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.57 3ibg n SER 195 Cb 0.58 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.24 3ibg n SER 195 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ibg n ILE 196 N -0.56 0.25 1.13 2.46 3.06 -1.26 -3.91 119.36 120.53 3ibg n ILE 196 Ca 0.00 -0.27 0.12 0.00 -2.50 0.00 0.00 62.75 60.10 3ibg n ILE 196 Cb 0.00 0.14 0.29 0.00 0.54 0.00 0.00 39.64 40.61 3ibg n ILE 196 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3ibg n LEU 197 N 0.07 0.87 0.00 9.51 4.77 -1.26 -5.04 117.00 125.92 3ibg n LEU 197 Ca 0.10 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3ibg n LEU 197 Cb 0.20 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3ibg n LEU 197 CO 0.07 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3ibg n GLY 198 N 1.41 1.27 0.05 -0.72 0.00 -1.25 -1.43 105.19 104.51 3ibg n GLY 198 Ca 0.09 -0.55 0.04 0.00 0.00 0.00 0.00 46.02 45.61 3ibg n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibg n ALA 199 N 5.05 1.11 1.07 4.61 0.00 -1.26 -0.47 120.51 130.62 3ibg n ALA 199 Ca 0.00 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.61 3ibg n ALA 199 Cb 0.00 -1.13 0.59 0.00 0.00 0.00 0.00 19.45 18.91 3ibg n ALA 199 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ibg n ARG 200 N -1.74 0.26 -0.31 0.00 3.00 -0.52 -3.26 116.66 114.10 3ibg n ARG 200 Ca 0.00 0.07 0.10 0.00 -0.01 0.00 0.00 57.85 58.01 3ibg n ARG 200 Cb 0.04 -1.50 0.28 0.00 0.00 0.00 0.00 32.46 31.27 3ibg n ARG 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3ibg n GLY 201 N 0.82 1.89 3.83 -0.13 0.00 0.38 -4.96 105.19 107.03 3ibg n GLY 201 Ca 0.10 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.05 1.65 0.44 -0.02 0.00 -1.20 -5.04 107.32 102.10 3ibg s GLY 202 Ca 0.42 -0.83 -0.23 0.00 0.00 0.00 0.00 44.72 44.08 3ibg s GLY 202 CO 0.29 -0.17 1.08 1.08 0.00 0.00 0.00 173.10 175.38 3ibg s LEU 203 N -6.02 4.01 0.24 0.66 1.43 -1.26 -5.04 118.68 112.71 3ibg s LEU 203 Ca 0.68 2.10 -0.30 0.00 -1.03 0.00 0.00 54.13 55.58 3ibg s LEU 203 Cb -0.10 -4.31 -0.09 0.00 0.03 0.00 0.00 46.19 41.73 3ibg s LEU 203 CO 0.53 -0.72 0.96 -2.84 0.23 0.00 0.00 176.35 174.51 3ibg s PRO 204 N -2.76 4.82 0.00 1.29 0.02 -1.26 -2.68 135.00 134.43 3ibg s PRO 204 Ca 0.62 1.53 0.00 0.00 0.02 0.00 0.00 61.00 63.18 3ibg s PRO 204 Cb -0.23 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.02 3ibg s PRO 204 CO 0.28 0.45 0.00 0.41 -0.33 0.00 0.00 177.00 177.81 3ibg n GLY 205 N 1.50 2.62 2.31 0.52 0.00 -1.26 -4.61 105.19 106.28 3ibg n GLY 205 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.72 0.65 3.74 -0.02 0.00 -1.09 -4.98 105.19 102.77 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 -0.00 4.24 -0.47 1.61 1.11 -1.26 -4.97 119.66 119.91 3ibg s GLN 207 Ca 0.00 2.34 -0.16 0.00 0.01 0.00 0.00 55.36 57.55 3ibg s GLN 207 Cb 0.00 -3.12 0.07 0.00 -1.01 0.00 0.00 33.01 28.95 3ibg s GLN 207 CO 0.00 -0.50 0.40 1.21 0.01 0.00 0.00 175.29 176.41 3ibg s ASN 208 N 0.66 6.15 0.11 5.90 2.47 -1.26 -4.57 114.94 124.40 3ibg s ASN 208 Ca 0.63 -1.32 -0.25 0.00 0.42 0.00 0.00 52.86 52.34 3ibg s ASN 208 Cb -0.43 -2.19 -0.08 0.00 -1.45 0.00 0.00 41.25 37.10 3ibg s ASN 208 CO 0.39 -0.65 1.66 0.40 -3.72 0.00 0.00 177.10 175.18 3ibg h ILE 209 N 5.76 0.55 0.00 -5.21 2.04 -1.99 -1.20 117.51 117.46 3ibg h ILE 209 Ca -0.28 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3ibg h ILE 209 Cb 1.11 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3ibg h ILE 209 CO 0.88 0.00 -0.04 0.44 0.00 0.00 0.00 178.15 179.43 3ibg h ASP 210 N -0.36 0.00 0.92 1.72 3.32 -1.96 0.17 116.42 120.24 3ibg h ASP 210 Ca 0.03 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.86 3ibg h ASP 210 Cb 0.39 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 3ibg h ASP 210 CO -0.13 0.04 -1.11 -0.08 -1.72 0.00 0.00 179.24 176.24 3ibg h GLU 211 N 0.00 0.00 0.14 3.56 4.81 -1.79 -3.26 114.58 118.04 3ibg h GLU 211 Ca -0.00 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.92 3ibg h GLU 211 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3ibg h GLU 211 CO 0.01 0.90 -1.51 -0.07 -0.73 0.00 0.00 179.01 177.61 3ibg h LEU 212 N 0.00 0.48 -1.71 1.64 3.38 -0.10 -3.22 115.31 115.77 3ibg h LEU 212 Ca -0.06 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.29 3ibg h LEU 212 Cb 1.80 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.40 3ibg h LEU 212 CO 0.12 1.51 0.07 0.25 0.09 0.00 0.00 178.44 180.49 3ibg h LEU 213 N 0.08 0.00 0.00 1.67 5.85 -0.79 0.36 115.31 122.49 3ibg h LEU 213 Ca -0.24 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 3ibg h LEU 213 Cb 2.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.06 3ibg h LEU 213 CO 0.18 0.00 -0.40 1.56 -0.34 0.00 0.00 178.44 179.45 3ibg h GLN 214 N 0.00 0.00 -0.96 1.25 4.20 -1.60 -2.67 115.11 115.34 3ibg h GLN 214 Ca 0.00 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.90 3ibg h GLN 214 Cb 0.15 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.84 3ibg h GLN 214 CO 0.00 0.36 0.61 0.87 -0.67 0.00 0.00 178.83 180.00 3ibg h LYS 215 N -1.00 0.57 -0.05 1.46 1.57 -1.45 0.97 116.57 118.65 3ibg h LYS 215 Ca -0.06 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.45 3ibg h LYS 215 Cb 0.58 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.77 3ibg h LYS 215 CO -0.04 0.38 -0.91 1.98 -0.57 0.00 0.00 179.45 180.29 3ibg h MET 216 N 0.59 0.61 -0.48 3.15 4.05 -1.08 -0.23 114.93 121.53 3ibg h MET 216 Ca 0.52 -0.59 -0.11 0.00 -0.28 0.00 0.00 59.70 59.24 3ibg h MET 216 Cb 1.03 0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.97 3ibg h MET 216 CO -0.27 1.20 -0.13 1.49 0.23 0.00 0.00 176.91 179.43 3ibg h GLU 217 N 0.37 0.91 -0.07 0.39 4.22 -0.93 -0.85 114.58 118.61 3ibg h GLU 217 Ca -0.09 -0.33 -0.17 0.00 0.08 0.00 0.00 59.36 58.85 3ibg h GLU 217 Cb 1.55 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 3ibg h GLU 217 CO 0.17 0.98 -0.69 1.03 -2.18 0.00 0.00 179.01 178.33 3ibg h SER 218 N 0.81 0.40 0.40 1.04 0.87 -0.78 -1.06 113.55 115.22 3ibg h SER 218 Ca 0.13 -0.25 -0.21 0.00 -1.23 0.00 0.00 61.79 60.22 3ibg h SER 218 Cb 0.67 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 3ibg h SER 218 CO 0.05 0.96 -0.90 -0.07 -0.53 0.00 0.00 176.83 176.34 3ibg h LEU 219 N 0.24 0.44 -0.56 2.23 3.38 -0.98 -2.69 115.31 117.37 3ibg h LEU 219 Ca -0.02 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 3ibg h LEU 219 Cb 1.24 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 3ibg h LEU 219 CO 0.11 1.14 0.16 -0.09 0.09 0.00 0.00 178.44 179.86 3ibg h ARG 220 N 0.20 0.89 -0.47 1.13 2.43 -1.02 -1.15 114.38 116.39 3ibg h ARG 220 Ca -0.06 -0.20 -0.08 0.00 -0.81 0.00 0.00 59.98 58.82 3ibg h ARG 220 Cb 1.53 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.94 3ibg h ARG 220 CO 0.15 0.81 -0.05 1.49 -1.51 0.00 0.00 179.97 180.87 3ibg h GLU 221 N 0.79 0.80 -0.28 0.20 4.81 -1.20 0.11 114.58 119.82 3ibg h GLU 221 Ca 0.18 -0.24 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 3ibg h GLU 221 Cb 0.31 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3ibg h GLU 221 CO -0.00 0.84 -0.17 1.15 -0.73 0.00 0.00 179.01 180.09 3ibg h THR 222 N 0.74 1.30 -0.76 0.32 2.02 -1.36 -2.02 112.91 113.14 3ibg h THR 222 Ca 0.14 -1.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.01 3ibg h THR 222 Cb 0.51 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 3ibg h THR 222 CO 0.03 0.41 0.43 0.40 0.37 0.00 0.00 175.52 177.16 3ibg h ILE 223 N 0.34 1.23 -0.39 3.11 1.08 -0.92 -2.70 117.51 119.27 3ibg h ILE 223 Ca 0.06 -0.54 -0.06 0.00 -0.39 0.00 0.00 64.86 63.93 3ibg h ILE 223 Cb 0.71 0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 34.64 3ibg h ILE 223 CO 0.05 0.25 0.02 0.28 -0.69 0.00 0.00 178.15 178.06 3ibg h SER 224 N 1.05 0.65 0.21 1.72 0.02 -0.76 -0.19 113.55 116.25 3ibg h SER 224 Ca 0.27 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3ibg h SER 224 Cb 0.01 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 3ibg h SER 224 CO -0.05 0.78 -0.41 -0.33 -1.14 0.00 0.00 176.83 175.69 3ibg h GLU 225 N 0.50 -0.64 -0.94 3.45 5.08 -1.28 -0.17 114.58 120.59 3ibg h GLU 225 Ca 0.11 0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.63 3ibg h GLU 225 Cb 0.43 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.76 3ibg h GLU 225 CO 0.02 -0.43 0.60 0.28 -1.00 0.00 0.00 179.01 178.48 3ibg h VAL 226 N -0.66 0.92 -0.45 3.13 2.07 -1.47 -2.16 116.25 117.63 3ibg h VAL 226 Ca -0.02 -0.30 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 3ibg h VAL 226 Cb 0.63 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3ibg h VAL 226 CO -0.16 0.16 -0.13 -1.13 0.02 0.00 0.00 177.57 176.33 3ibg h ASN 227 N 0.88 0.90 0.93 0.57 -0.73 -0.40 -1.72 115.58 116.02 3ibg h ASN 227 Ca 0.45 -0.37 0.00 0.00 1.87 0.00 0.00 56.30 58.25 3ibg h ASN 227 Cb 0.51 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.86 3ibg h ASN 227 CO -0.22 1.07 0.00 0.35 -0.37 0.00 0.00 177.43 178.26 3ibg n THR 228 N -4.23 0.52 0.02 -3.57 -2.24 -0.13 -2.45 114.28 102.20 3ibg n THR 228 Ca -0.00 0.04 -0.19 0.00 -2.27 0.00 0.00 64.05 61.63 3ibg n THR 228 Cb 0.40 -0.75 -0.13 0.00 -2.10 0.00 0.00 70.33 67.75 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 0.36 -0.97 -0.78 4.20 -1.01 -3.25 115.11 113.66 3ibg h GLN 229 Ca 0.00 -0.47 0.15 0.00 0.06 0.00 0.00 58.65 58.39 3ibg h GLN 229 Cb 0.47 0.15 -0.09 0.00 0.30 0.00 0.00 27.48 28.30 3ibg h GLN 229 CO 0.00 1.16 0.59 0.74 -0.67 0.00 0.00 178.83 180.65 3ibg h PHE 230 N -0.23 1.04 -0.03 2.96 -1.00 -1.02 0.94 116.94 119.61 3ibg h PHE 230 Ca -0.10 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.71 3ibg h PHE 230 Cb 1.45 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 40.69 3ibg h PHE 230 CO 0.17 0.32 0.00 1.63 -1.61 0.00 0.00 178.31 178.82 3ibg n LYS 231 N -4.72 1.06 -3.70 1.51 5.02 -1.02 -4.42 118.16 111.89 3ibg n LYS 231 Ca 0.20 -0.10 -0.39 0.00 -2.02 0.00 0.00 58.31 56.01 3ibg n LYS 231 Cb 0.45 -1.09 -0.12 0.00 -0.02 0.00 0.00 35.03 34.25 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 -1.14 5.42 0.32 4.39 2.47 0.33 -4.92 114.94 121.81 3ibg s ASN 232 Ca 0.08 -0.95 0.03 0.00 0.42 0.00 0.00 52.86 52.45 3ibg s ASN 232 Cb 0.04 -1.93 0.62 0.00 -1.45 0.00 0.00 41.25 38.53 3ibg s ASN 232 CO 0.06 -0.30 1.92 -0.65 -3.72 0.00 0.00 177.10 174.41 3ibg h PRO 233 N 8.30 0.89 0.00 0.43 0.11 -1.83 0.26 132.00 140.16 3ibg h PRO 233 Ca -0.26 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 3ibg h PRO 233 Cb 1.10 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 3ibg h PRO 233 CO 0.62 0.59 -0.06 -0.44 -0.21 0.00 0.00 178.00 178.50 3ibg h ASP 234 N 0.91 0.00 0.00 -2.05 3.32 -1.94 -3.24 116.42 113.42 3ibg h ASP 234 Ca 0.37 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.33 3ibg h ASP 234 Cb 0.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3ibg h ASP 234 CO -0.14 0.06 -1.56 0.23 -1.72 0.00 0.00 179.24 176.11 3ibg n MET 235 N -3.65 1.38 -3.77 3.56 2.81 -0.03 -3.15 117.12 114.28 3ibg n MET 235 Ca -0.02 -0.05 -0.14 0.00 -1.81 0.00 0.00 57.70 55.68 3ibg n MET 235 Cb 0.17 -1.24 -0.15 0.00 -0.71 0.00 0.00 33.22 31.28 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 -2.47 -0.05 0.05 2.03 2.01 0.70 -0.49 115.64 117.43 3ibg s THR 236 Ca -0.04 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.13 3ibg s THR 236 Cb 0.05 -0.16 -0.03 0.00 0.01 0.00 0.00 72.50 72.36 3ibg s THR 236 CO 0.41 0.07 -0.04 0.28 -0.69 0.00 0.00 174.62 174.64 3ibg s THR 237 N 0.99 0.34 -0.14 -0.82 -1.32 -0.96 -4.28 115.64 109.44 3ibg s THR 237 Ca -0.08 -1.53 -0.01 0.00 -1.21 0.00 0.00 61.69 58.87 3ibg s THR 237 Cb -0.11 -1.14 -0.01 0.00 -1.51 0.00 0.00 72.50 69.73 3ibg s THR 237 CO -0.04 -0.77 -0.12 0.12 -2.21 0.00 0.00 174.62 171.60 3ibg s PHE 238 N -2.94 2.84 -0.26 9.09 5.36 0.75 -1.70 117.98 131.12 3ibg s PHE 238 Ca 0.00 -0.70 -0.07 0.00 -0.96 0.00 0.00 56.93 55.20 3ibg s PHE 238 Cb 0.01 -1.89 -0.02 0.00 -0.34 0.00 0.00 43.02 40.78 3ibg s PHE 238 CO -0.05 -0.27 0.08 0.08 -1.46 0.00 0.00 175.22 173.60 3ibg s VAL 239 N 0.53 4.27 0.20 3.12 1.01 -0.24 -3.79 120.40 125.49 3ibg s VAL 239 Ca -0.08 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 3ibg s VAL 239 Cb -0.16 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.12 3ibg s VAL 239 CO 0.04 0.29 0.57 0.00 0.00 0.00 0.00 175.10 176.00 3ibg s VAL 241 N -1.64 2.07 0.21 0.00 1.01 0.66 0.05 120.40 122.76 3ibg s VAL 241 Ca 0.43 -1.39 -0.20 0.00 0.00 0.00 0.00 61.98 60.82 3ibg s VAL 241 Cb -0.13 -1.78 0.04 0.00 0.00 0.00 0.00 36.38 34.51 3ibg s VAL 241 CO 0.20 0.31 0.60 0.00 0.00 0.00 0.00 175.10 176.21 3ibg s ILE 243 N -3.85 3.24 -1.17 0.00 1.01 -1.26 -0.33 121.20 118.83 3ibg s ILE 243 Ca 0.07 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 59.92 3ibg s ILE 243 Cb -0.02 -3.17 0.11 0.00 0.01 0.00 0.00 42.46 39.39 3ibg s ILE 243 CO -0.03 -0.10 2.44 0.00 0.00 0.00 0.00 174.94 177.25 3ibg n ALA 244 N -2.07 6.74 -2.64 9.38 0.00 -1.26 -4.37 120.51 126.28 3ibg n ALA 244 Ca 0.05 -3.92 -0.29 0.00 0.00 0.00 0.00 53.44 49.29 3ibg n ALA 244 Cb 0.59 -2.66 -0.10 0.00 0.00 0.00 0.00 19.45 17.28 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 -1.31 2.02 -0.04 0.00 0.41 -1.26 -4.78 118.70 113.73 3ibg s GLU 245 Ca 0.55 -2.16 -0.18 0.00 -0.41 0.00 0.00 54.97 52.77 3ibg s GLU 245 Cb 0.22 -1.63 -0.11 0.00 -1.78 0.00 0.00 34.13 30.83 3ibg s GLU 245 CO -0.12 -0.12 0.74 0.35 -0.49 0.00 0.00 175.26 175.63 3ibg h PHE 246 N 1.67 -0.40 -1.08 1.61 3.57 -1.99 -2.10 116.94 118.23 3ibg h PHE 246 Ca -0.44 -0.01 0.30 0.00 3.53 0.00 0.00 57.97 61.35 3ibg h PHE 246 Cb 1.26 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 40.06 3ibg h PHE 246 CO 0.89 -0.12 0.74 -0.07 -2.23 0.00 0.00 178.31 177.51 3ibg h LEU 247 N -1.03 0.20 0.19 0.59 3.38 -1.98 0.17 115.31 116.83 3ibg h LEU 247 Ca -0.04 0.04 -0.34 0.00 0.09 0.00 0.00 57.88 57.62 3ibg h LEU 247 Cb 0.46 0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.23 3ibg h LEU 247 CO 0.07 0.04 -1.62 -1.28 0.09 0.00 0.00 178.44 175.74 3ibg h SER 248 N 0.17 0.64 0.16 -0.43 0.87 -1.87 -1.92 113.55 111.18 3ibg h SER 248 Ca 0.56 -0.85 -0.03 0.00 -1.23 0.00 0.00 61.79 60.24 3ibg h SER 248 Cb 1.84 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 63.59 3ibg h SER 248 CO -0.13 1.70 -0.13 -0.07 -0.53 0.00 0.00 176.83 177.66 3ibg h LEU 249 N 0.11 0.00 0.19 2.23 4.07 -0.40 -0.62 115.31 120.89 3ibg h LEU 249 Ca -0.30 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.65 3ibg h LEU 249 Cb 2.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.85 3ibg h LEU 249 CO 0.21 0.13 -0.09 0.22 -1.08 0.00 0.00 178.44 177.82 3ibg h TYR 250 N 0.00 -0.24 -0.09 1.13 3.20 -0.79 -2.86 116.97 117.34 3ibg h TYR 250 Ca -0.00 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.89 3ibg h TYR 250 Cb 0.24 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 3ibg h TYR 250 CO 0.00 0.08 0.24 1.49 -1.64 0.00 0.00 178.16 178.32 3ibg h GLU 251 N -0.99 0.00 0.12 1.82 4.57 -1.19 -1.24 114.58 117.67 3ibg h GLU 251 Ca -0.03 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.97 3ibg h GLU 251 Cb 0.42 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.03 3ibg h GLU 251 CO 0.04 0.00 -0.79 1.15 -1.18 0.00 0.00 179.01 178.24 3ibg h THR 252 N 0.00 1.50 0.00 0.32 2.02 -1.13 -2.40 112.91 113.23 3ibg h THR 252 Ca 0.04 -2.48 -0.05 0.00 0.77 0.00 0.00 66.41 64.69 3ibg h THR 252 Cb 0.51 3.13 -0.01 0.00 -1.74 0.00 0.00 68.15 70.05 3ibg h THR 252 CO -0.00 0.70 -0.23 1.05 0.37 0.00 0.00 175.52 177.42 3ibg h GLU 253 N -0.34 0.00 -0.16 6.66 4.11 -1.05 -1.87 114.58 121.93 3ibg h GLU 253 Ca -0.13 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.14 3ibg h GLU 253 Cb 1.60 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.86 3ibg h GLU 253 CO 0.15 0.23 -0.53 -0.09 0.07 0.00 0.00 179.01 178.83 3ibg h ARG 254 N 0.00 0.63 0.00 1.06 2.43 -1.30 -2.49 114.38 114.72 3ibg h ARG 254 Ca -0.00 -0.47 -0.09 0.00 -0.81 0.00 0.00 59.98 58.60 3ibg h ARG 254 Cb 0.56 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3ibg h ARG 254 CO 0.03 1.09 -0.44 1.98 -1.51 0.00 0.00 179.97 181.12 3ibg h MET 255 N 0.30 0.00 -0.05 0.20 4.05 -1.14 -2.71 114.93 115.57 3ibg h MET 255 Ca -0.02 0.00 -0.21 0.00 -0.28 0.00 0.00 59.70 59.19 3ibg h MET 255 Cb 1.16 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.96 3ibg h MET 255 CO 0.11 0.44 -0.83 0.82 0.23 0.00 0.00 176.91 177.69 3ibg h ILE 256 N 0.00 1.38 -0.13 1.77 2.04 -1.37 -1.96 117.51 119.23 3ibg h ILE 256 Ca -0.00 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.61 3ibg h ILE 256 Cb 1.19 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 39.49 3ibg h ILE 256 CO 0.06 0.68 0.08 1.56 0.00 0.00 0.00 178.15 180.53 3ibg h GLN 257 N 0.29 0.17 -0.74 2.37 4.20 -1.30 0.10 115.11 120.21 3ibg h GLN 257 Ca -0.05 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3ibg h GLN 257 Cb 1.43 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 29.14 3ibg h GLN 257 CO 0.15 0.14 0.40 1.49 -0.67 0.00 0.00 178.83 180.34 3ibg h GLU 258 N 0.16 1.04 -0.33 1.46 4.81 -1.50 -0.62 114.58 119.60 3ibg h GLU 258 Ca 0.05 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3ibg h GLU 258 Cb 0.00 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 3ibg h GLU 258 CO -0.01 0.77 0.21 -0.07 -0.73 0.00 0.00 179.01 179.18 3ibg h LEU 259 N 1.03 0.35 -1.19 1.64 3.38 -0.95 -1.64 115.31 117.93 3ibg h LEU 259 Ca 0.26 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 3ibg h LEU 259 Cb 0.04 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3ibg h LEU 259 CO -0.04 0.26 0.21 0.74 0.09 0.00 0.00 178.44 179.70 3ibg h THR 260 N 0.42 1.20 -0.22 0.22 2.02 -0.40 0.24 112.91 116.39 3ibg h THR 260 Ca 0.12 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 3ibg h THR 260 Cb -0.03 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3ibg h THR 260 CO -0.04 0.24 0.08 0.77 0.37 0.00 0.00 175.52 176.95 3ibg h SER 261 N 0.77 0.30 0.36 4.18 4.64 -0.61 -1.04 113.55 122.16 3ibg h SER 261 Ca 0.19 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3ibg h SER 261 Cb 0.16 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3ibg h SER 261 CO -0.02 0.40 0.00 -1.22 -0.87 0.00 0.00 176.83 175.12 3ibg n TYR 262 N -4.80 0.00 -1.53 4.77 4.01 -0.66 -4.87 117.16 114.07 3ibg n TYR 262 Ca -0.04 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.67 3ibg n TYR 262 Cb 0.13 -0.38 -0.01 0.00 -0.31 0.00 0.00 39.34 38.77 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 -0.09 0.45 3.62 2.72 0.00 -0.39 -4.91 105.19 106.60 3ibg n GLY 263 Ca 0.05 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.14 5.16 0.34 -0.61 1.01 -0.05 -4.56 121.20 120.34 3ibg s ILE 264 Ca 0.00 0.66 -0.29 0.00 0.00 0.00 0.00 60.65 61.03 3ibg s ILE 264 Cb 0.00 -3.73 -0.11 0.00 0.01 0.00 0.00 42.46 38.63 3ibg s ILE 264 CO 0.00 0.16 1.51 -0.62 0.00 0.00 0.00 174.94 176.00 3ibg s ASP 265 N 1.49 6.38 -0.12 3.58 2.15 -1.26 -4.26 116.67 124.63 3ibg s ASP 265 Ca 0.17 2.99 -0.07 0.00 0.43 0.00 0.00 52.55 56.07 3ibg s ASP 265 Cb -0.15 -2.65 0.05 0.00 -0.30 0.00 0.00 42.92 39.86 3ibg s ASP 265 CO 0.09 -0.87 0.29 0.28 -0.17 0.00 0.00 175.17 174.79 3ibg s THR 266 N -0.70 -0.03 0.00 1.71 -1.32 -1.26 -0.18 115.64 113.86 3ibg s THR 266 Ca 0.56 0.11 0.03 0.00 -1.21 0.00 0.00 61.69 61.18 3ibg s THR 266 Cb -0.46 -0.43 0.04 0.00 -1.51 0.00 0.00 72.50 70.14 3ibg s THR 266 CO 0.57 0.05 0.79 0.00 -2.21 0.00 0.00 174.62 173.81 3ibg n HIS 267 N 4.01 0.00 -3.73 9.09 1.44 -1.25 -4.97 115.22 119.81 3ibg n HIS 267 Ca -0.23 -0.18 -0.12 0.00 -2.01 0.00 0.00 57.72 55.18 3ibg n HIS 267 Cb 0.54 0.22 -0.13 0.00 0.12 0.00 0.00 29.99 30.74 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 -0.58 -0.07 1.59 0.00 -1.26 -1.32 121.76 120.11 3ibg s ALA 268 Ca 0.03 0.99 0.05 0.00 0.00 0.00 0.00 51.96 53.04 3ibg s ALA 268 Cb 0.04 -0.62 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 3ibg s ALA 268 CO -0.02 -0.19 -0.23 0.42 0.00 0.00 0.00 175.76 175.74 3ibg s ILE 269 N 1.16 1.89 -0.34 0.00 1.01 0.25 -1.55 121.20 123.62 3ibg s ILE 269 Ca -0.08 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.50 3ibg s ILE 269 Cb -0.09 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.75 3ibg s ILE 269 CO -0.08 0.53 0.20 -0.69 0.00 0.00 0.00 174.94 174.90 3ibg s VAL 270 N 0.09 4.83 -0.47 2.92 1.01 0.11 -0.25 120.40 128.64 3ibg s VAL 270 Ca -0.09 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 3ibg s VAL 270 Cb -0.15 -3.54 0.05 0.00 0.00 0.00 0.00 36.38 32.74 3ibg s VAL 270 CO 0.05 -0.05 0.55 -0.69 0.00 0.00 0.00 175.10 174.97 3ibg s VAL 271 N 1.63 4.96 0.43 2.92 1.01 0.11 -1.12 120.40 130.36 3ibg s VAL 271 Ca 0.04 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.61 3ibg s VAL 271 Cb -0.18 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.00 3ibg s VAL 271 CO 0.08 -0.66 0.62 0.21 0.00 0.00 0.00 175.10 175.34 3ibg s ASN 272 N 2.38 5.73 -1.78 3.32 2.47 0.55 -1.29 114.94 126.31 3ibg s ASN 272 Ca 0.14 -0.03 -0.00 0.00 0.42 0.00 0.00 52.86 53.39 3ibg s ASN 272 Cb -0.19 -1.17 0.00 0.00 -1.45 0.00 0.00 41.25 38.45 3ibg s ASN 272 CO 0.13 -0.72 0.03 0.00 -3.72 0.00 0.00 177.10 172.82 3ibg n GLN 273 N -1.97 -1.86 -2.49 0.43 6.02 -1.15 -4.33 117.38 112.03 3ibg n GLN 273 Ca 0.03 1.01 -0.34 0.00 -0.01 0.00 0.00 57.00 57.70 3ibg n GLN 273 Cb 0.58 -5.69 -0.03 0.00 1.02 0.00 0.00 30.24 26.12 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 -6.08 3.80 -0.03 1.08 1.43 -0.38 -4.28 118.68 114.22 3ibg s LEU 274 Ca 0.02 1.88 -0.09 0.00 -1.03 0.00 0.00 54.13 54.91 3ibg s LEU 274 Cb -0.01 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.61 3ibg s LEU 274 CO 0.02 -0.80 0.28 -0.76 0.23 0.00 0.00 176.35 175.32 3ibg s LEU 275 N -3.62 4.41 0.21 1.79 1.43 -1.26 -0.36 118.68 121.27 3ibg s LEU 275 Ca 0.66 0.66 0.10 0.00 -1.03 0.00 0.00 54.13 54.53 3ibg s LEU 275 Cb -0.16 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 3ibg s LEU 275 CO 0.22 0.32 -0.20 -0.36 0.23 0.00 0.00 176.35 176.56 3ibg s PHE 276 N -1.16 2.09 0.51 0.29 0.08 -1.26 -5.01 117.98 113.52 3ibg s PHE 276 Ca 0.23 -0.41 -0.23 0.00 0.12 0.00 0.00 56.93 56.64 3ibg s PHE 276 Cb -0.14 -0.99 -0.06 0.00 -0.57 0.00 0.00 43.02 41.26 3ibg s PHE 276 CO 0.12 0.49 1.33 -2.14 -0.10 0.00 0.00 175.22 174.92 3ibg s PRO 277 N -3.03 3.37 0.00 0.24 0.02 -1.26 -5.14 135.00 129.20 3ibg s PRO 277 Ca 0.22 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.41 3ibg s PRO 277 Cb -0.06 -2.37 0.00 0.00 0.02 0.00 0.00 34.50 32.10 3ibg s PRO 277 CO 0.10 -0.98 0.00 0.41 -0.33 0.00 0.00 177.00 176.20 3ibg n GLY 282 N 0.65 0.00 3.11 0.52 0.00 -1.26 -5.16 105.19 103.05 3ibg n GLY 282 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 7.89 -0.54 -0.17 0.00 4.81 -2.07 -3.25 114.58 121.25 3ibg h GLU 284 Ca -0.16 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.15 3ibg h GLU 284 Cb 1.05 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3ibg h GLU 284 CO 0.55 -0.23 0.12 0.37 -0.73 0.00 0.00 179.01 179.09 3ibg h GLN 285 N -0.93 0.02 -0.21 1.92 4.15 -2.01 0.82 115.11 118.86 3ibg h GLN 285 Ca -0.06 -0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.25 3ibg h GLN 285 Cb 0.56 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 3ibg h GLN 285 CO 0.09 0.01 -0.33 0.00 -1.93 0.00 0.00 178.83 176.67 3ibg h ASN 287 N 0.37 0.92 -0.45 0.00 2.35 -0.86 -2.40 115.58 115.51 3ibg h ASN 287 Ca 0.05 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 3ibg h ASN 287 Cb 0.76 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 3ibg h ASN 287 CO 0.06 0.63 0.20 0.00 -1.65 0.00 0.00 177.43 176.66 3ibg h ALA 288 N 1.50 0.58 0.00 -0.83 0.00 -1.35 -1.54 119.26 117.63 3ibg h ALA 288 Ca 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3ibg h ALA 288 Cb 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3ibg h ALA 288 CO -0.10 0.17 -0.03 -0.09 0.00 0.00 0.00 179.25 179.20 3ibg h ARG 289 N 0.58 0.00 0.14 0.00 9.65 -1.34 -1.57 114.38 121.84 3ibg h ARG 289 Ca 0.15 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 58.74 3ibg h ARG 289 Cb 0.16 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 28.76 3ibg h ARG 289 CO -0.02 0.03 -1.26 -0.09 2.80 0.00 0.00 179.97 181.43 3ibg h ARG 290 N 0.00 0.52 -0.55 0.20 2.43 -0.91 -3.04 114.38 113.03 3ibg h ARG 290 Ca -0.00 -0.75 0.09 0.00 -0.81 0.00 0.00 59.98 58.52 3ibg h ARG 290 Cb 0.06 0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 3ibg h ARG 290 CO 0.00 1.34 0.37 0.87 -1.51 0.00 0.00 179.97 181.04 3ibg h LYS 291 N 0.21 0.34 -0.17 0.20 1.57 -0.32 -0.58 116.57 117.82 3ibg h LYS 291 Ca -0.18 -0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 58.36 3ibg h LYS 291 Cb 1.95 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 34.19 3ibg h LYS 291 CO 0.23 0.22 -0.75 0.52 -0.57 0.00 0.00 179.45 179.10 3ibg h MET 292 N 0.35 0.79 -0.69 3.15 2.86 -1.49 -2.91 114.93 117.00 3ibg h MET 292 Ca 0.25 -0.63 0.04 0.00 -2.06 0.00 0.00 59.70 57.30 3ibg h MET 292 Cb 0.53 0.13 -0.05 0.00 0.06 0.00 0.00 31.60 32.27 3ibg h MET 292 CO -0.06 1.24 0.42 1.96 1.06 0.00 0.00 176.91 181.53 3ibg h GLN 293 N 0.55 0.79 -0.97 1.72 4.20 -1.13 -1.69 115.11 118.58 3ibg h GLN 293 Ca -0.05 -0.05 0.12 0.00 0.06 0.00 0.00 58.65 58.73 3ibg h GLN 293 Cb 1.38 -0.18 -0.08 0.00 0.30 0.00 0.00 27.48 28.90 3ibg h GLN 293 CO 0.16 0.52 0.62 -0.22 -0.67 0.00 0.00 178.83 179.23 3ibg h LYS 294 N 0.81 0.92 0.40 1.46 3.64 -1.07 0.54 116.57 123.26 3ibg h LYS 294 Ca 0.28 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3ibg h LYS 294 Cb 0.06 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3ibg h LYS 294 CO -0.13 0.61 -0.19 0.87 -2.27 0.00 0.00 179.45 178.34 3ibg h LYS 295 N 0.94 -0.52 -0.73 1.90 1.57 -1.14 -1.51 116.57 117.09 3ibg h LYS 295 Ca 0.47 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.29 3ibg h LYS 295 Cb 0.49 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 3ibg h LYS 295 CO -0.23 -0.24 0.48 1.88 -0.57 0.00 0.00 179.45 180.76 3ibg h TYR 296 N -0.75 0.92 -0.20 -1.35 0.05 -0.71 -2.17 116.97 112.76 3ibg h TYR 296 Ca -0.06 0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.60 3ibg h TYR 296 Cb 0.52 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 3ibg h TYR 296 CO -0.00 0.59 -0.46 1.25 -1.05 0.00 0.00 178.16 178.48 3ibg h LEU 297 N 0.99 0.54 -0.47 3.88 5.85 0.12 -2.02 115.31 124.21 3ibg h LEU 297 Ca 0.27 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 3ibg h LEU 297 Cb -0.10 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 3ibg h LEU 297 CO -0.06 0.93 0.02 -0.33 -0.34 0.00 0.00 178.44 178.66 3ibg h GLU 298 N 0.40 0.81 -0.60 1.25 5.08 -0.81 -1.55 114.58 119.16 3ibg h GLU 298 Ca 0.03 -0.25 0.08 0.00 -1.00 0.00 0.00 59.36 58.22 3ibg h GLU 298 Cb 0.97 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.07 3ibg h GLU 298 CO 0.09 0.85 0.26 1.96 -1.00 0.00 0.00 179.01 181.16 3ibg h GLN 299 N 0.66 0.45 -0.55 2.33 4.20 -1.15 -1.62 115.11 119.44 3ibg h GLN 299 Ca 0.13 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 3ibg h GLN 299 Cb 0.47 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 3ibg h GLN 299 CO 0.02 0.30 0.09 0.82 -0.67 0.00 0.00 178.83 179.39 3ibg h ILE 300 N 0.46 1.25 0.00 2.54 2.04 -1.08 -0.41 117.51 122.31 3ibg h ILE 300 Ca 0.30 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 65.16 3ibg h ILE 300 Cb 0.32 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3ibg h ILE 300 CO -0.27 0.35 -0.21 -0.33 0.00 0.00 0.00 178.15 177.69 3ibg h GLU 301 N 0.80 0.00 0.00 2.37 4.39 -0.89 -0.02 114.58 121.23 3ibg h GLU 301 Ca 0.17 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.84 3ibg h GLU 301 Cb 0.40 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3ibg h GLU 301 CO 0.01 0.21 -0.15 1.49 -1.16 0.00 0.00 179.01 179.42 3ibg h GLU 302 N 0.00 0.00 0.12 2.33 4.81 -0.84 -3.17 114.58 117.83 3ibg h GLU 302 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3ibg h GLU 302 Cb 0.38 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 3ibg h GLU 302 CO 0.03 0.91 -0.07 -0.07 -0.73 0.00 0.00 179.01 179.07 3ibg h LEU 303 N -1.00 -0.18 -5.74 1.64 3.38 -1.05 -3.24 115.31 109.11 3ibg h LEU 303 Ca -0.04 0.01 -0.78 0.00 0.09 0.00 0.00 57.88 57.16 3ibg h LEU 303 Cb 0.95 0.05 -0.28 0.00 0.09 0.00 0.00 40.66 41.47 3ibg h LEU 303 CO -0.02 -0.12 0.90 -1.22 0.09 0.00 0.00 178.44 178.06 3ibg n TYR 304 N -5.18 2.93 0.01 1.13 4.01 -0.03 -4.64 117.16 115.39 3ibg n TYR 304 Ca -0.08 -2.58 -0.01 0.00 -0.16 0.00 0.00 57.90 55.06 3ibg n TYR 304 Cb 0.11 -1.12 0.26 0.00 -0.31 0.00 0.00 39.34 38.28 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 3.70 0.51 -0.02 -0.72 4.81 -1.58 -2.47 114.58 118.81 3ibg h GLU 305 Ca 0.52 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 3ibg h GLU 305 Cb 0.25 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3ibg h GLU 305 CO 1.23 0.61 0.00 -0.25 -0.73 0.00 0.00 179.01 179.87 3ibg n ASP 306 N -4.22 0.24 -4.78 1.04 8.00 -1.26 -4.74 116.55 110.83 3ibg n ASP 306 Ca 0.01 -1.41 -0.27 0.00 0.71 0.00 0.00 54.79 53.84 3ibg n ASP 306 Cb 0.31 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.33 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 -1.97 3.11 -0.31 1.24 0.08 -0.93 -4.93 117.98 114.26 3ibg s PHE 307 Ca 0.31 -0.03 -0.29 0.00 0.12 0.00 0.00 56.93 57.04 3ibg s PHE 307 Cb 0.15 -1.50 0.01 0.00 -0.57 0.00 0.00 43.02 41.10 3ibg s PHE 307 CO 0.24 0.52 1.20 -0.80 -0.10 0.00 0.00 175.22 176.28 3ibg s ASN 308 N -3.04 6.79 -0.65 1.36 0.01 -0.44 -4.81 114.94 114.16 3ibg s ASN 308 Ca 0.30 1.12 -0.12 0.00 -0.71 0.00 0.00 52.86 53.45 3ibg s ASN 308 Cb -0.10 -2.54 0.17 0.00 0.41 0.00 0.00 41.25 39.19 3ibg s ASN 308 CO 0.23 -1.00 0.56 -0.69 -1.51 0.00 0.00 177.10 174.70 3ibg s VAL 309 N 4.05 4.94 -0.07 1.60 1.01 -1.26 -0.59 120.40 130.08 3ibg s VAL 309 Ca 0.51 -2.17 -0.28 0.00 0.00 0.00 0.00 61.98 60.05 3ibg s VAL 309 Cb -0.14 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 3ibg s VAL 309 CO 0.20 -0.91 0.91 -0.69 0.00 0.00 0.00 175.10 174.61 3ibg s VAL 310 N 0.73 4.88 -0.25 2.92 1.01 0.66 -4.56 120.40 125.79 3ibg s VAL 310 Ca 0.12 1.87 -0.08 0.00 0.00 0.00 0.00 61.98 63.88 3ibg s VAL 310 Cb -0.20 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 3ibg s VAL 310 CO -0.03 0.11 0.10 -0.13 0.00 0.00 0.00 175.10 175.15 3ibg s ARG 311 N 1.47 3.79 -0.05 2.72 0.52 -1.26 0.09 118.95 126.22 3ibg s ARG 311 Ca 0.46 -0.41 0.05 0.00 -0.52 0.00 0.00 55.73 55.31 3ibg s ARG 311 Cb -0.19 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 31.86 3ibg s ARG 311 CO 0.20 -0.11 -0.20 -1.64 0.02 0.00 0.00 175.30 173.58 3ibg s MET 312 N 1.46 2.50 0.47 3.54 -1.94 -0.41 -4.44 119.30 120.48 3ibg s MET 312 Ca 0.06 -0.80 -0.14 0.00 -1.71 0.00 0.00 55.69 53.10 3ibg s MET 312 Cb -0.15 -2.27 -0.07 0.00 2.01 0.00 0.00 34.83 34.35 3ibg s MET 312 CO 0.05 0.51 0.89 -1.25 -0.01 0.00 0.00 175.02 175.22 3ibg s PRO 313 N -0.46 3.86 -0.22 2.03 0.05 -1.26 -1.26 135.00 137.74 3ibg s PRO 313 Ca 0.05 0.73 -0.29 0.00 0.05 0.00 0.00 61.00 61.54 3ibg s PRO 313 Cb -0.12 -2.25 -0.01 0.00 0.05 0.00 0.00 34.50 32.18 3ibg s PRO 313 CO 0.01 -0.18 1.26 -1.17 0.05 0.00 0.00 177.00 176.97 3ibg s LEU 314 N -4.01 4.06 0.49 -3.56 2.96 0.51 -4.27 118.68 114.86 3ibg s LEU 314 Ca 0.55 1.48 -0.07 0.00 -0.22 0.00 0.00 54.13 55.87 3ibg s LEU 314 Cb -0.10 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 3ibg s LEU 314 CO 0.32 -0.88 0.83 -0.76 -1.32 0.00 0.00 176.35 174.54 3ibg s LEU 315 N 3.81 3.60 0.36 -0.68 1.43 -1.26 -4.96 118.68 120.97 3ibg s LEU 315 Ca 0.54 1.06 0.19 0.00 -1.03 0.00 0.00 54.13 54.89 3ibg s LEU 315 Cb -0.19 -4.01 0.42 0.00 0.03 0.00 0.00 46.19 42.43 3ibg s LEU 315 CO 0.17 -0.60 1.61 0.58 0.23 0.00 0.00 176.35 178.34 3ibg h VAL 316 N 0.30 0.64 -2.63 -1.59 2.07 -2.04 -3.45 116.25 109.55 3ibg h VAL 316 Ca -0.46 -1.66 -0.58 0.00 0.82 0.00 0.00 66.70 64.82 3ibg h VAL 316 Cb 1.20 2.13 -0.15 0.00 -1.52 0.00 0.00 31.29 32.94 3ibg h VAL 316 CO 0.62 0.33 -0.77 -1.61 0.02 0.00 0.00 177.57 176.16 3ibg s GLU 317 N -3.25 1.54 0.42 1.57 2.02 -1.26 -5.11 118.70 114.63 3ibg s GLU 317 Ca 0.03 -1.65 -0.26 0.00 0.02 0.00 0.00 54.97 53.11 3ibg s GLU 317 Cb 0.08 -1.61 -0.10 0.00 0.10 0.00 0.00 34.13 32.60 3ibg s GLU 317 CO 0.70 0.31 1.43 0.39 0.02 0.00 0.00 175.26 178.10 3ibg n GLU 318 N -0.31 2.34 -2.79 1.61 1.02 -1.26 -4.90 120.64 116.34 3ibg n GLU 318 Ca -0.08 0.83 -0.43 0.00 -0.02 0.00 0.00 57.16 57.46 3ibg n GLU 318 Cb 0.59 -2.60 -0.00 0.00 -0.02 0.00 0.00 31.44 29.40 3ibg n GLU 318 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ibg s VAL 319 N -1.17 4.62 -0.03 2.62 1.01 -1.26 -4.66 120.40 121.53 3ibg s VAL 319 Ca 0.58 -2.19 -0.05 0.00 0.00 0.00 0.00 61.98 60.33 3ibg s VAL 319 Cb -0.47 -5.01 -0.03 0.00 0.00 0.00 0.00 36.38 30.87 3ibg s VAL 319 CO 0.60 -1.78 -0.10 -1.14 0.00 0.00 0.00 175.10 172.67 3ibg n ARG 320 N 6.90 0.16 -0.77 2.72 0.63 -1.26 -4.78 116.66 120.26 3ibg n ARG 320 Ca 0.40 0.07 -0.33 0.00 -0.92 0.00 0.00 57.85 57.07 3ibg n ARG 320 Cb 0.45 -0.78 0.13 0.00 0.45 0.00 0.00 32.46 32.71 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 2.69 -2.12 0.21 5.14 0.00 -1.26 -4.40 105.19 105.46 3ibg n GLY 321 Ca -0.10 -0.76 -0.07 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.68 0.49 -0.08 1.61 3.64 -1.88 -1.17 116.57 117.50 3ibg h LYS 322 Ca -0.46 -0.26 -0.15 0.00 -1.27 0.00 0.00 60.65 58.51 3ibg h LYS 322 Cb 1.30 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 3ibg h LYS 322 CO 0.35 0.84 -0.59 1.05 -2.27 0.00 0.00 179.45 178.83 3ibg h GLU 323 N 0.39 0.27 -0.08 1.90 4.11 -2.00 -1.90 114.58 117.27 3ibg h GLU 323 Ca 0.03 -0.18 -0.20 0.00 0.07 0.00 0.00 59.36 59.07 3ibg h GLU 323 Cb 0.95 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3ibg h GLU 323 CO 0.08 0.79 -0.78 0.87 0.07 0.00 0.00 179.01 180.04 3ibg h LYS 324 N 0.20 0.50 -0.34 1.06 1.57 -1.86 -2.38 116.57 115.32 3ibg h LYS 324 Ca -0.00 -0.43 -0.11 0.00 -1.87 0.00 0.00 60.65 58.24 3ibg h LYS 324 Cb 1.10 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 3ibg h LYS 324 CO 0.09 1.06 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.74 3ibg h LEU 325 N 0.33 0.68 0.15 2.94 3.38 -1.16 -1.16 115.31 120.48 3ibg h LEU 325 Ca -0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3ibg h LEU 325 Cb 1.38 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3ibg h LEU 325 CO 0.14 0.89 -0.07 -0.08 0.09 0.00 0.00 178.44 179.41 3ibg h GLU 326 N 0.59 -0.20 -0.72 1.13 4.57 -1.28 0.21 114.58 118.88 3ibg h GLU 326 Ca 0.08 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.36 3ibg h GLU 326 Cb 0.70 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.27 3ibg h GLU 326 CO 0.05 0.01 0.39 -0.22 -1.18 0.00 0.00 179.01 178.06 3ibg h LYS 327 N -0.38 0.67 -0.32 1.92 1.63 -1.36 -0.85 116.57 117.88 3ibg h LYS 327 Ca -0.02 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.71 3ibg h LYS 327 Cb 0.30 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 3ibg h LYS 327 CO 0.03 0.44 0.10 0.35 -3.45 0.00 0.00 179.45 176.93 3ibg h PHE 328 N 0.69 0.52 0.00 1.91 3.57 -1.08 -3.15 116.94 119.39 3ibg h PHE 328 Ca 0.34 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 3ibg h PHE 328 Cb 0.28 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 3ibg h PHE 328 CO -0.08 0.52 -0.13 0.66 -2.23 0.00 0.00 178.31 177.05 3ibg h SER 329 N 0.37 0.00 -0.23 0.41 4.64 0.42 -1.73 113.55 117.43 3ibg h SER 329 Ca 0.10 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.40 3ibg h SER 329 Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 3ibg h SER 329 CO -0.00 0.13 0.07 -0.33 -0.87 0.00 0.00 176.83 175.82 3ibg h GLU 330 N 0.00 0.43 0.00 4.77 4.39 -1.15 -2.05 114.58 120.97 3ibg h GLU 330 Ca -0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3ibg h GLU 330 Cb 0.39 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3ibg h GLU 330 CO 0.02 0.40 0.00 -1.33 -1.16 0.00 0.00 179.01 176.94 3ibg n MET 331 N -4.37 0.10 0.00 2.33 2.81 -0.65 -0.97 117.12 116.37 3ibg n MET 331 Ca 0.01 0.32 0.11 0.00 -1.81 0.00 0.00 57.70 56.33 3ibg n MET 331 Cb 0.17 -1.68 0.53 0.00 -0.71 0.00 0.00 33.22 31.53 3ibg n MET 331 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3ibg n LEU 332 N -1.86 0.00 0.00 4.03 4.77 -0.77 -3.77 117.00 119.40 3ibg n LEU 332 Ca 0.03 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 3ibg n LEU 332 Cb 0.21 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3ibg n LEU 332 CO 0.17 -0.09 -0.04 0.55 -1.33 0.00 0.00 177.39 176.66 3ibg n VAL 333 N -1.40 0.00 -3.83 4.08 3.14 -0.88 -1.17 118.33 118.26 3ibg n VAL 333 Ca 0.08 -0.05 -0.30 0.00 -2.96 0.00 0.00 64.34 61.10 3ibg n VAL 333 Cb 0.23 0.64 -0.15 0.00 -1.06 0.00 0.00 33.84 33.50 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 -0.25 2.45 0.11 1.45 3.76 -0.14 -4.86 115.29 117.80 3ibg s HIS 334 Ca 0.00 -2.22 -0.35 0.00 -0.15 0.00 0.00 55.06 52.34 3ibg s HIS 334 Cb 0.00 -2.15 -0.17 0.00 1.11 0.00 0.00 32.58 31.36 3ibg s HIS 334 CO 0.00 -0.90 1.09 -2.30 -0.85 0.00 0.00 174.74 171.78 3ibg n PRO 335 N 4.58 0.70 -2.30 8.40 -0.02 -1.26 -4.31 135.00 140.78 3ibg n PRO 335 Ca 0.01 0.25 -0.39 0.00 -2.02 0.00 0.00 63.50 61.34 3ibg n PRO 335 Cb 0.42 -1.72 -0.02 0.00 -0.02 0.00 0.00 33.50 32.16 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 -0.10 3.16 -0.00 6.00 5.04 -1.26 -5.06 117.35 125.12 3ibg s TYR 336 Ca 0.79 1.56 0.00 0.00 -2.44 0.00 0.00 57.07 56.98 3ibg s TYR 336 Cb -1.00 -3.42 0.00 0.00 0.35 0.00 0.00 41.96 37.90 3ibg s TYR 336 CO 0.53 -1.25 -0.01 0.14 -1.34 0.00 0.00 175.55 173.62 3ibg s VAL 337 N -1.33 0.07 0.00 3.14 -7.23 -1.26 -5.10 120.40 108.70 3ibg s VAL 337 Ca 0.53 -0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.68 3ibg s VAL 337 Cb -0.32 -0.08 0.00 0.00 0.56 0.00 0.00 36.38 36.54 3ibg s VAL 337 CO 0.41 0.03 0.00 -2.65 -0.31 0.00 0.00 175.10 172.58