#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 0.74 0.63 3.23 -1.94 -1.26 -5.13 119.30 115.57 3ibg s MET 13 Ca 0.00 -1.38 -0.17 0.00 -1.71 0.00 0.00 55.69 52.42 3ibg s MET 13 Cb 0.00 -1.69 -0.10 0.00 2.01 0.00 0.00 34.83 35.05 3ibg s MET 13 CO 0.00 -1.14 0.17 -0.85 -0.01 0.00 0.00 175.02 173.19 3ibg n GLU 14 N 4.18 0.22 -0.96 2.03 0.00 -1.26 -4.50 120.64 120.35 3ibg n GLU 14 Ca 0.07 0.09 -0.16 0.00 0.00 0.00 0.00 57.16 57.16 3ibg n GLU 14 Cb 0.38 -1.42 -0.13 0.00 0.00 0.00 0.00 31.44 30.26 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 0.55 2.12 -3.93 3.44 -0.02 -1.26 -4.39 135.00 131.51 3ibg n PRO 15 Ca 0.09 -1.13 -0.10 0.00 -2.02 0.00 0.00 63.50 60.33 3ibg n PRO 15 Cb 0.49 -2.11 -0.12 0.00 -0.02 0.00 0.00 33.50 31.74 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 1.45 0.07 -0.31 3.45 2.01 -1.26 -4.31 115.64 116.74 3ibg s THR 16 Ca 0.61 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 62.03 3ibg s THR 16 Cb 0.26 -0.21 0.26 0.00 0.01 0.00 0.00 72.50 72.82 3ibg s THR 16 CO -0.01 -0.33 1.23 0.18 -0.69 0.00 0.00 174.62 175.00 3ibg n LEU 17 N 2.04 3.93 0.02 4.42 4.77 -0.25 -4.34 117.00 127.59 3ibg n LEU 17 Ca -0.20 -2.03 -0.13 0.00 -0.03 0.00 0.00 56.01 53.62 3ibg n LEU 17 Cb 0.57 -0.61 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 3ibg n LEU 17 CO 0.22 0.62 0.71 -0.61 -1.33 0.00 0.00 177.39 176.99 3ibg h GLN 18 N 0.65 -0.03 -0.85 3.23 5.75 -1.89 -2.43 115.11 119.53 3ibg h GLN 18 Ca 0.17 0.00 0.24 0.00 -0.15 0.00 0.00 58.65 58.91 3ibg h GLN 18 Cb 1.51 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 30.03 3ibg h GLN 18 CO 0.34 0.28 0.61 0.66 -2.65 0.00 0.00 178.83 178.07 3ibg h SER 19 N -0.35 0.04 0.01 -0.69 4.64 -1.97 -0.21 113.55 115.02 3ibg h SER 19 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3ibg h SER 19 Cb 0.33 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3ibg h SER 19 CO 0.01 0.01 -0.08 0.40 -0.87 0.00 0.00 176.83 176.30 3ibg h ILE 20 N 0.04 1.77 0.00 0.95 2.04 -1.85 -3.18 117.51 117.27 3ibg h ILE 20 Ca 0.41 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.91 3ibg h ILE 20 Cb 1.58 3.37 0.00 0.00 -0.74 0.00 0.00 36.82 41.03 3ibg h ILE 20 CO -0.02 0.62 0.00 -0.07 0.00 0.00 0.00 178.15 178.67 3ibg h LEU 21 N -0.95 0.00 0.00 1.44 3.38 -0.82 -1.85 115.31 116.51 3ibg h LEU 21 Ca -0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3ibg h LEU 21 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3ibg h LEU 21 CO 0.01 0.00 -0.76 0.28 0.09 0.00 0.00 178.44 178.06 3ibg h SER 22 N 0.00 0.00 -2.95 -0.43 0.02 -1.12 -3.45 113.55 105.62 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 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3ibg h SER 22 CO 0.00 0.32 0.81 -1.10 -1.14 0.00 0.00 176.83 175.72 3ibg s GLN 23 N -3.08 4.30 0.00 3.45 -0.21 -0.70 -4.89 119.66 118.53 3ibg s GLN 23 Ca 0.02 1.88 0.21 0.00 0.02 0.00 0.00 55.36 57.48 3ibg s GLN 23 Cb 0.08 -3.59 0.03 0.00 1.00 0.00 0.00 33.01 30.53 3ibg s GLN 23 CO 0.76 -0.55 1.04 1.63 -2.12 0.00 0.00 175.29 176.05 3ibg n LYS 24 N 5.44 1.50 0.00 2.91 5.02 -1.26 -4.23 118.16 127.54 3ibg n LYS 24 Ca 0.13 -1.11 0.11 0.00 -2.02 0.00 0.00 58.31 55.42 3ibg n LYS 24 Cb 0.44 -1.41 0.10 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 0.21 0.00 -2.17 -0.18 -2.24 -1.26 -4.90 114.28 103.73 3ibg n THR 25 Ca 0.09 -0.14 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 3ibg n THR 25 Cb 0.45 0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 69.51 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 -2.65 4.42 0.00 3.22 1.43 -1.21 -4.24 118.68 119.65 3ibg s LEU 26 Ca 0.17 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 3ibg s LEU 26 Cb 0.18 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.78 3ibg s LEU 26 CO 0.64 -0.53 0.00 0.54 0.23 0.00 0.00 176.35 177.22 3ibg n ARG 27 N 2.09 1.83 -4.03 1.70 1.74 0.11 -4.76 116.66 115.34 3ibg n ARG 27 Ca 0.04 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.79 3ibg n ARG 27 Cb 0.42 -0.99 -0.15 0.00 -1.02 0.00 0.00 32.46 30.72 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 -1.98 3.06 -0.30 -1.55 0.52 -0.48 0.11 118.94 118.32 3ibg s TRP 28 Ca 0.00 -1.81 0.03 0.00 0.02 0.00 0.00 56.10 54.34 3ibg s TRP 28 Cb 0.00 -1.99 0.08 0.00 -1.15 0.00 0.00 33.47 30.41 3ibg s TRP 28 CO 0.00 -0.80 -0.02 0.42 0.02 0.00 0.00 176.95 176.57 3ibg s ILE 29 N 1.25 2.24 0.56 2.03 1.01 -0.39 -1.87 121.20 126.03 3ibg s ILE 29 Ca -0.02 -2.03 -0.16 0.00 0.00 0.00 0.00 60.65 58.44 3ibg s ILE 29 Cb -0.17 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.74 3ibg s ILE 29 CO -0.07 -0.35 1.04 -0.36 0.00 0.00 0.00 174.94 175.20 3ibg s PHE 30 N 0.99 3.11 -0.11 3.97 0.08 -0.08 -1.67 117.98 124.27 3ibg s PHE 30 Ca 0.02 1.50 -0.02 0.00 0.12 0.00 0.00 56.93 58.55 3ibg s PHE 30 Cb -0.19 -2.96 0.04 0.00 -0.57 0.00 0.00 43.02 39.34 3ibg s PHE 30 CO -0.07 -0.89 0.02 0.08 -0.10 0.00 0.00 175.22 174.26 3ibg s VAL 31 N -2.46 0.33 0.07 -0.44 1.01 -0.46 -1.19 120.40 117.26 3ibg s VAL 31 Ca 0.63 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.56 3ibg s VAL 31 Cb -0.14 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 3ibg s VAL 31 CO 0.34 0.07 -0.06 -0.83 0.00 0.00 0.00 175.10 174.62 3ibg s GLY 32 N 1.98 0.62 0.00 4.51 0.00 -0.74 -2.18 107.32 111.50 3ibg s GLY 32 Ca 0.03 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.66 3ibg s GLY 32 CO -0.06 -1.18 0.00 0.61 0.00 0.00 0.00 173.10 172.47 3ibg n GLY 33 N 0.58 2.23 3.71 0.20 0.00 -1.26 -0.56 105.19 110.09 3ibg n GLY 33 Ca -0.17 0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 3.65 0.00 1.61 2.20 -1.26 -4.59 119.74 121.35 3ibg s LYS 34 Ca 0.00 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 3ibg s LYS 34 Cb 0.00 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 3ibg s LYS 34 CO 0.00 0.49 0.00 0.41 -0.36 0.00 0.00 175.35 175.89 3ibg n GLY 35 N 2.85 0.92 2.10 5.54 0.00 -1.26 -4.47 105.19 110.87 3ibg n GLY 35 Ca -0.18 -0.19 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.17 0.52 0.25 -0.02 0.00 -1.26 -4.91 105.19 99.60 3ibg n GLY 36 Ca 0.00 -0.82 0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.29 0.00 0.00 1.61 0.24 -1.26 -4.87 118.33 110.76 3ibg n VAL 37 Ca -0.04 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 3ibg n VAL 37 Cb 0.28 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 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 1.18 1.92 0.39 7.63 0.00 -1.26 -4.66 105.19 110.39 3ibg n GLY 38 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.91 -0.60 1.61 3.64 -1.89 -1.88 116.57 116.53 3ibg h LYS 39 Ca 0.00 0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.53 3ibg h LYS 39 Cb 0.00 0.21 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 3ibg h LYS 39 CO 0.00 -0.61 0.25 1.15 -2.27 0.00 0.00 179.45 177.97 3ibg h THR 40 N -0.94 0.82 -0.68 1.00 2.02 -1.94 -0.32 112.91 112.86 3ibg h THR 40 Ca -0.09 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 3ibg h THR 40 Cb 0.74 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 3ibg h THR 40 CO 0.13 0.08 0.41 0.74 0.37 0.00 0.00 175.52 177.25 3ibg h THR 41 N 0.45 1.19 -0.24 3.16 2.02 -1.93 -2.09 112.91 115.47 3ibg h THR 41 Ca 0.30 -0.42 -0.11 0.00 0.77 0.00 0.00 66.41 66.94 3ibg h THR 41 Cb 0.33 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3ibg h THR 41 CO -0.27 0.20 -0.28 0.74 0.37 0.00 0.00 175.52 176.28 3ibg h THR 42 N 0.93 1.32 -0.08 3.16 2.02 -0.41 -1.53 112.91 118.33 3ibg h THR 42 Ca 0.24 -1.46 0.04 0.00 0.77 0.00 0.00 66.41 66.01 3ibg h THR 42 Cb -0.04 1.69 -0.06 0.00 -1.74 0.00 0.00 68.15 68.01 3ibg h THR 42 CO -0.05 0.46 -0.37 0.28 0.37 0.00 0.00 175.52 176.21 3ibg h SER 43 N 0.33 -1.14 0.08 4.18 0.02 -0.80 0.24 113.55 116.47 3ibg h SER 43 Ca 0.03 0.15 0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3ibg h SER 43 Cb 0.85 0.46 -0.02 0.00 0.14 0.00 0.00 62.40 63.83 3ibg h SER 43 CO 0.07 -0.41 -0.14 0.00 -1.14 0.00 0.00 176.83 175.22 3ibg h SER 45 N -0.27 -0.32 -0.94 0.00 0.02 -1.01 0.95 113.55 111.97 3ibg h SER 45 Ca 0.02 0.08 0.07 0.00 -0.84 0.00 0.00 61.79 61.12 3ibg h SER 45 Cb 0.28 0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.95 3ibg h SER 45 CO -0.07 -0.12 0.61 0.25 -1.14 0.00 0.00 176.83 176.36 3ibg h LEU 46 N -0.06 0.95 -0.34 5.07 5.85 -0.30 -0.30 115.31 126.19 3ibg h LEU 46 Ca 0.12 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 3ibg h LEU 46 Cb 0.24 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3ibg h LEU 46 CO -0.27 0.61 -0.14 0.00 -0.34 0.00 0.00 178.44 178.29 3ibg h ALA 47 N 1.49 0.47 -0.60 1.25 0.00 -0.24 -1.49 119.26 120.14 3ibg h ALA 47 Ca 0.41 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3ibg h ALA 47 Cb 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3ibg h ALA 47 CO -0.16 0.37 0.37 0.82 0.00 0.00 0.00 179.25 180.64 3ibg h ILE 48 N 0.47 1.07 0.00 0.00 2.04 -0.20 -1.24 117.51 119.64 3ibg h ILE 48 Ca 0.08 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 3ibg h ILE 48 Cb 0.67 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3ibg h ILE 48 CO 0.05 0.13 -0.29 -0.61 0.00 0.00 0.00 178.15 177.42 3ibg h GLN 49 N 0.72 0.00 0.07 2.37 5.75 -0.97 -3.04 115.11 120.01 3ibg h GLN 49 Ca 0.24 0.00 -0.27 0.00 -0.15 0.00 0.00 58.65 58.47 3ibg h GLN 49 Cb 0.02 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.59 3ibg h GLN 49 CO -0.10 0.29 -1.12 -0.07 -2.65 0.00 0.00 178.83 175.18 3ibg h LEU 50 N 0.00 0.68 -2.59 -2.39 3.38 -0.69 -3.19 115.31 110.51 3ibg h LEU 50 Ca -0.00 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.36 3ibg h LEU 50 Cb 0.78 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 3ibg h LEU 50 CO 0.04 1.43 -0.01 0.00 0.09 0.00 0.00 178.44 179.99 3ibg h ALA 51 N 0.51 1.34 0.00 1.53 0.00 -1.13 0.53 119.26 122.04 3ibg h ALA 51 Ca -0.14 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3ibg h ALA 51 Cb 1.79 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3ibg h ALA 51 CO 0.20 0.01 -0.40 0.87 0.00 0.00 0.00 179.25 179.93 3ibg h LYS 52 N 0.00 0.00 0.00 0.00 1.57 -1.55 -3.36 116.57 113.23 3ibg h LYS 52 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 3ibg h LYS 52 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3ibg h LYS 52 CO 0.00 0.40 -1.47 0.28 -0.57 0.00 0.00 179.45 178.09 3ibg n VAL 53 N -3.57 0.47 -3.97 0.50 0.31 0.20 -5.03 118.33 107.24 3ibg n VAL 53 Ca -0.00 -0.28 -0.22 0.00 -0.01 0.00 0.00 64.34 63.83 3ibg n VAL 53 Cb 0.52 -0.82 -0.02 0.00 -0.91 0.00 0.00 33.84 32.61 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 -2.17 3.43 0.16 5.55 1.81 0.16 -5.03 118.95 122.86 3ibg s ARG 54 Ca -0.04 -0.74 -0.14 0.00 -1.72 0.00 0.00 55.73 53.09 3ibg s ARG 54 Cb 0.02 -2.89 0.04 0.00 -0.45 0.00 0.00 34.95 31.67 3ibg s ARG 54 CO 0.27 0.44 1.74 -0.22 -0.68 0.00 0.00 175.30 176.85 3ibg h LYS 55 N 1.31 0.74 -3.45 3.54 3.64 -1.87 -3.43 116.57 117.05 3ibg h LYS 55 Ca -0.51 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 58.68 3ibg h LYS 55 Cb 1.23 -0.13 -0.14 0.00 -0.41 0.00 0.00 32.23 32.77 3ibg h LYS 55 CO 0.62 0.62 -0.19 -1.54 -2.27 0.00 0.00 179.45 176.69 3ibg s SER 56 N -5.91 -0.12 -0.07 4.20 1.04 -1.26 -4.80 113.70 106.77 3ibg s SER 56 Ca -0.13 -0.35 -0.03 0.00 0.48 0.00 0.00 55.95 55.92 3ibg s SER 56 Cb 0.12 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.69 3ibg s SER 56 CO 0.77 -0.75 0.14 -0.69 0.98 0.00 0.00 173.24 173.68 3ibg s VAL 57 N -3.45 -0.21 -0.17 5.02 1.01 0.49 -2.85 120.40 120.25 3ibg s VAL 57 Ca 0.01 0.34 -0.08 0.00 0.00 0.00 0.00 61.98 62.25 3ibg s VAL 57 Cb 0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 3ibg s VAL 57 CO -0.09 0.14 0.11 -0.22 0.00 0.00 0.00 175.10 175.03 3ibg s LEU 58 N 2.08 4.10 -0.53 3.92 2.96 -0.65 -1.51 118.68 129.06 3ibg s LEU 58 Ca 0.01 0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 54.10 3ibg s LEU 58 Cb -0.12 -2.03 0.14 0.00 0.50 0.00 0.00 46.19 44.67 3ibg s LEU 58 CO -0.05 0.24 0.37 -0.22 -1.32 0.00 0.00 176.35 175.37 3ibg s LEU 59 N -0.04 5.56 0.13 -0.68 2.96 0.90 -0.90 118.68 126.61 3ibg s LEU 59 Ca 0.09 -2.26 -0.03 0.00 -0.22 0.00 0.00 54.13 51.70 3ibg s LEU 59 Cb -0.12 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 3ibg s LEU 59 CO 0.00 -0.56 0.34 0.27 -1.32 0.00 0.00 176.35 175.09 3ibg s ILE 60 N 0.82 5.21 -0.05 6.68 -4.36 -0.64 -1.45 121.20 127.42 3ibg s ILE 60 Ca 0.10 -0.08 0.00 0.00 -0.26 0.00 0.00 60.65 60.42 3ibg s ILE 60 Cb -0.22 -3.63 0.02 0.00 1.25 0.00 0.00 42.46 39.88 3ibg s ILE 60 CO -0.03 0.04 -0.03 -0.55 0.24 0.00 0.00 174.94 174.61 3ibg s SER 61 N -2.51 0.98 0.12 4.36 0.15 -0.82 -0.80 113.70 115.18 3ibg s SER 61 Ca 0.40 -0.10 0.23 0.00 0.70 0.00 0.00 55.95 57.17 3ibg s SER 61 Cb -0.12 -0.40 -0.00 0.00 -1.71 0.00 0.00 66.02 63.78 3ibg s SER 61 CO 0.26 -0.09 0.98 0.41 1.20 0.00 0.00 173.24 176.00 3ibg n THR 62 N 4.28 0.38 -1.64 6.45 -1.04 -0.63 -1.73 114.28 120.35 3ibg n THR 62 Ca -0.22 -0.43 -0.44 0.00 -2.04 0.00 0.00 64.05 60.92 3ibg n THR 62 Cb 0.51 -0.12 -0.04 0.00 -1.82 0.00 0.00 70.33 68.86 3ibg n THR 62 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3ibg n ASP 63 N -2.37 3.73 0.28 8.00 -0.08 -1.20 -4.58 116.55 120.34 3ibg n ASP 63 Ca 0.00 0.76 0.14 0.00 -1.51 0.00 0.00 54.79 54.19 3ibg n ASP 63 Cb 0.51 -1.48 0.83 0.00 2.34 0.00 0.00 41.12 43.31 3ibg n ASP 63 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3ibg h PRO 64 N 11.22 0.00 0.00 -0.67 0.13 -1.93 -1.97 132.00 138.79 3ibg h PRO 64 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 3ibg h PRO 64 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3ibg h PRO 64 CO 0.95 0.07 -0.29 0.00 -0.23 0.00 0.00 178.00 178.50 3ibg h ALA 65 N 1.93 1.02 -6.39 -0.56 0.00 -2.00 -3.46 119.26 109.80 3ibg h ALA 65 Ca -0.00 -0.27 -0.48 0.00 0.00 0.00 0.00 54.91 54.16 3ibg h ALA 65 Cb 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3ibg h ALA 65 CO 0.01 0.37 -0.88 0.72 0.00 0.00 0.00 179.25 179.47 3ibg n HIS 66 N -3.47 -1.72 0.52 0.00 8.25 -0.74 -4.79 115.22 113.26 3ibg n HIS 66 Ca -0.00 0.75 0.07 0.00 -0.26 0.00 0.00 57.72 58.28 3ibg n HIS 66 Cb 0.46 -3.87 0.33 0.00 1.12 0.00 0.00 29.99 28.03 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 -2.98 0.02 0.19 0.41 4.13 -1.26 -2.62 115.26 113.14 3ibg n ASN 67 Ca -0.30 0.50 0.13 0.00 1.68 0.00 0.00 54.58 56.59 3ibg n ASN 67 Cb 0.68 -0.51 0.69 0.00 -1.54 0.00 0.00 39.78 39.10 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 0.06 3.41 5.85 -1.93 0.34 115.31 123.04 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 0.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3ibg h LEU 68 CO 0.00 0.00 -0.03 0.28 -0.34 0.00 0.00 178.44 178.35 3ibg h SER 69 N 0.00 -0.07 -0.72 1.25 0.02 -1.70 -3.13 113.55 109.20 3ibg h SER 69 Ca 0.07 -0.27 0.21 0.00 -0.84 0.00 0.00 61.79 60.96 3ibg h SER 69 Cb 0.31 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 3ibg h SER 69 CO -0.00 0.54 0.57 0.44 -1.14 0.00 0.00 176.83 177.25 3ibg h ASP 70 N -1.00 0.00 -0.06 3.07 3.32 -1.65 0.55 116.42 120.66 3ibg h ASP 70 Ca -0.01 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 3ibg h ASP 70 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3ibg h ASP 70 CO 0.01 0.00 -0.30 0.00 -1.72 0.00 0.00 179.24 177.23 3ibg h ALA 71 N 1.53 0.11 -0.05 3.45 0.00 -1.02 -3.28 119.26 120.00 3ibg h ALA 71 Ca 0.34 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ibg h ALA 71 Cb 1.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3ibg h ALA 71 CO -0.00 0.16 0.00 1.19 0.00 0.00 0.00 179.25 180.60 3ibg n PHE 72 N -4.45 0.04 -3.63 0.00 3.72 -0.66 -4.52 117.46 107.96 3ibg n PHE 72 Ca -0.09 -0.02 -0.21 0.00 -0.05 0.00 0.00 57.45 57.08 3ibg n PHE 72 Cb 0.50 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.09 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 1.26 -0.36 3.62 1.37 0.00 0.18 -4.87 105.19 106.40 3ibg n GLY 73 Ca 0.17 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 -5.90 0.81 -0.12 1.61 0.74 -1.01 -5.03 119.66 110.75 3ibg s GLN 74 Ca 0.15 1.02 -0.28 0.00 0.05 0.00 0.00 55.36 56.29 3ibg s GLN 74 Cb -0.07 0.36 -0.01 0.00 1.10 0.00 0.00 33.01 34.39 3ibg s GLN 74 CO 0.78 -0.11 0.96 0.21 -0.55 0.00 0.00 175.29 176.58 3ibg s LYS 75 N 0.57 4.39 0.10 1.67 2.20 -1.26 -4.36 119.74 123.05 3ibg s LYS 75 Ca -0.02 1.29 0.08 0.00 -0.36 0.00 0.00 55.97 56.97 3ibg s LYS 75 Cb -0.05 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 3ibg s LYS 75 CO -0.02 -0.32 -0.15 -0.06 -0.36 0.00 0.00 175.35 174.44 3ibg s PHE 76 N 2.07 2.62 0.00 4.03 0.08 -1.26 -5.03 117.98 120.49 3ibg s PHE 76 Ca 0.46 -0.22 0.00 0.00 0.12 0.00 0.00 56.93 57.29 3ibg s PHE 76 Cb -0.18 -1.39 0.00 0.00 -0.57 0.00 0.00 43.02 40.88 3ibg s PHE 76 CO 0.16 0.39 0.00 0.41 -0.10 0.00 0.00 175.22 176.08 3ibg n GLY 77 N 0.84 5.41 0.15 4.36 0.00 -1.26 -4.79 105.19 109.89 3ibg n GLY 77 Ca -0.15 -1.58 0.13 0.00 0.00 0.00 0.00 46.02 44.42 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 0.54 -3.59 1.61 4.81 -1.25 0.13 118.16 120.41 3ibg n LYS 78 Ca 0.00 -0.29 -0.37 0.00 -0.87 0.00 0.00 58.31 56.78 3ibg n LYS 78 Cb 0.00 -1.49 -0.07 0.00 0.02 0.00 0.00 35.03 33.49 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 -2.66 4.04 -0.34 1.64 0.41 -1.26 -4.80 118.70 115.73 3ibg s GLU 79 Ca 0.21 0.12 -0.29 0.00 -0.41 0.00 0.00 54.97 54.60 3ibg s GLU 79 Cb 0.19 -3.34 0.00 0.00 -1.78 0.00 0.00 34.13 29.20 3ibg s GLU 79 CO 0.56 0.43 1.39 0.00 -0.49 0.00 0.00 175.26 177.16 3ibg s ALA 80 N -0.13 3.20 0.28 5.21 0.00 -1.26 -4.71 121.76 124.35 3ibg s ALA 80 Ca 0.18 0.03 0.06 0.00 0.00 0.00 0.00 51.96 52.23 3ibg s ALA 80 Cb -0.14 -3.86 -0.02 0.00 0.00 0.00 0.00 23.12 19.10 3ibg s ALA 80 CO 0.06 -2.08 0.35 1.03 0.00 0.00 0.00 175.76 175.11 3ibg s ARG 81 N 4.59 3.15 -0.18 0.00 0.52 -0.91 -4.88 118.95 121.24 3ibg s ARG 81 Ca 0.60 -0.96 -0.24 0.00 -0.52 0.00 0.00 55.73 54.62 3ibg s ARG 81 Cb -0.16 -2.75 -0.02 0.00 0.52 0.00 0.00 34.95 32.54 3ibg s ARG 81 CO 0.28 0.27 0.76 -1.17 0.02 0.00 0.00 175.30 175.47 3ibg s LEU 82 N -4.01 4.16 0.11 2.53 2.96 -1.26 -0.48 118.68 122.69 3ibg s LEU 82 Ca 0.38 1.05 -0.31 0.00 -0.22 0.00 0.00 54.13 55.03 3ibg s LEU 82 Cb -0.08 -3.11 -0.10 0.00 0.50 0.00 0.00 46.19 43.39 3ibg s LEU 82 CO 0.28 -0.36 1.86 -0.69 -1.32 0.00 0.00 176.35 176.13 3ibg s VAL 83 N 2.07 2.60 0.24 1.68 1.01 -0.33 -4.85 120.40 122.83 3ibg s VAL 83 Ca 0.35 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 3ibg s VAL 83 Cb -0.16 -3.02 0.29 0.00 0.00 0.00 0.00 36.38 33.49 3ibg s VAL 83 CO 0.12 -0.00 1.51 0.47 0.00 0.00 0.00 175.10 177.20 3ibg n ASP 84 N 6.03 -0.56 -0.13 3.32 8.00 -1.26 -1.42 116.55 130.54 3ibg n ASP 84 Ca 0.18 1.69 0.00 0.00 0.71 0.00 0.00 54.79 57.38 3ibg n ASP 84 Cb 0.39 -0.42 0.01 0.00 -0.02 0.00 0.00 41.12 41.07 3ibg n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ibg n GLY 85 N -1.50 -0.42 3.44 0.44 0.00 -1.26 -4.89 105.19 100.99 3ibg n GLY 85 Ca 0.11 -0.01 -0.23 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 -1.78 1.75 0.00 1.61 2.02 -0.50 -5.07 117.35 115.37 3ibg s TYR 86 Ca 0.01 -1.30 0.00 0.00 -0.37 0.00 0.00 57.07 55.40 3ibg s TYR 86 Cb 0.00 -1.05 0.00 0.00 -0.40 0.00 0.00 41.96 40.51 3ibg s TYR 86 CO 0.01 -0.37 0.00 -1.13 -1.57 0.00 0.00 175.55 172.48 3ibg n SER 87 N -1.16 4.03 0.00 2.29 3.41 -1.26 -4.78 113.62 116.16 3ibg n SER 87 Ca -0.03 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3ibg n SER 87 Cb 0.65 0.88 0.00 0.00 -0.26 0.00 0.00 64.21 65.48 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 -1.29 0.59 -4.57 4.04 6.94 -1.26 -5.01 115.26 114.70 3ibg n ASN 88 Ca 0.00 -1.13 -0.36 0.00 -0.02 0.00 0.00 54.58 53.07 3ibg n ASN 88 Cb 0.00 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.31 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 -0.13 3.80 0.14 -4.53 2.96 -1.26 -0.38 118.68 119.28 3ibg s LEU 89 Ca 0.00 -0.02 0.05 0.00 -0.22 0.00 0.00 54.13 53.94 3ibg s LEU 89 Cb 0.00 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 3ibg s LEU 89 CO 0.00 0.04 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.52 3ibg s SER 90 N 1.18 1.85 -0.02 3.68 0.01 -0.57 -1.18 113.70 118.65 3ibg s SER 90 Ca 0.06 -0.92 0.01 0.00 1.31 0.00 0.00 55.95 56.40 3ibg s SER 90 Cb -0.14 -0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.07 3ibg s SER 90 CO 0.04 -0.25 -0.02 0.00 0.41 0.00 0.00 173.24 173.42 3ibg s ALA 91 N -2.80 0.35 0.08 1.44 0.00 0.37 -0.07 121.76 121.12 3ibg s ALA 91 Ca 0.13 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.12 3ibg s ALA 91 Cb -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 3ibg s ALA 91 CO 0.02 0.01 -0.12 0.00 0.00 0.00 0.00 175.76 175.67 3ibg s MET 92 N 0.47 0.78 -0.26 0.00 0.23 -0.53 -2.15 119.30 117.84 3ibg s MET 92 Ca -0.05 -0.99 0.01 0.00 -1.03 0.00 0.00 55.69 53.63 3ibg s MET 92 Cb -0.08 -0.62 0.05 0.00 -1.53 0.00 0.00 34.83 32.64 3ibg s MET 92 CO -0.01 0.12 -0.09 -1.21 -2.03 0.00 0.00 175.02 171.81 3ibg s GLU 93 N -2.08 2.49 0.24 3.16 2.02 0.12 -1.94 118.70 122.71 3ibg s GLU 93 Ca -0.01 -1.20 -0.30 0.00 0.02 0.00 0.00 54.97 53.49 3ibg s GLU 93 Cb -0.08 -2.94 -0.09 0.00 0.10 0.00 0.00 34.13 31.13 3ibg s GLU 93 CO 0.01 -0.51 1.19 0.42 0.02 0.00 0.00 175.26 176.39 3ibg s ILE 94 N 1.20 3.40 -0.15 -1.63 -1.09 -0.71 -3.88 121.20 118.35 3ibg s ILE 94 Ca -0.05 1.28 -0.06 0.00 -2.23 0.00 0.00 60.65 59.59 3ibg s ILE 94 Cb -0.18 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 3ibg s ILE 94 CO -0.05 0.25 0.07 -1.81 -1.23 0.00 0.00 174.94 172.17 3ibg s ASP 95 N -0.29 5.73 0.12 3.58 1.01 -1.26 -4.77 116.67 120.79 3ibg s ASP 95 Ca 0.50 0.19 -0.16 0.00 0.71 0.00 0.00 52.55 53.78 3ibg s ASP 95 Cb -0.34 -1.88 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 3ibg s ASP 95 CO 0.41 0.28 1.63 -0.65 0.21 0.00 0.00 175.17 177.04 3ibg h PRO 96 N 5.93 0.57 -4.61 8.23 0.11 -1.96 -3.47 132.00 136.79 3ibg h PRO 96 Ca -0.44 -0.13 -0.24 0.00 0.11 0.00 0.00 66.00 65.29 3ibg h PRO 96 Cb 1.19 -0.08 0.12 0.00 0.11 0.00 0.00 31.00 32.34 3ibg h PRO 96 CO 0.64 0.60 -0.55 0.09 -0.21 0.00 0.00 178.00 178.57 3ibg n ASN 97 N -4.62 -2.25 -4.74 -2.05 5.03 -1.26 -4.68 115.26 100.68 3ibg n ASN 97 Ca -0.01 -0.44 -0.40 0.00 0.87 0.00 0.00 54.58 54.59 3ibg n ASN 97 Cb 0.19 -3.82 -0.05 0.00 -1.02 0.00 0.00 39.78 35.08 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 -3.92 3.04 0.44 7.41 0.00 -1.26 -3.69 107.32 109.34 3ibg s GLY 98 Ca 0.03 0.66 0.05 0.00 0.00 0.00 0.00 44.72 45.46 3ibg s GLY 98 CO 0.52 1.36 0.61 -1.35 0.00 0.00 0.00 173.10 174.25 3ibg s SER 99 N -0.64 5.64 0.25 1.64 1.04 -1.26 -4.97 113.70 115.40 3ibg s SER 99 Ca 0.44 -0.22 -0.05 0.00 0.48 0.00 0.00 55.95 56.60 3ibg s SER 99 Cb -0.26 -0.89 0.27 0.00 0.10 0.00 0.00 66.02 65.24 3ibg s SER 99 CO 0.32 -0.79 1.88 0.40 0.98 0.00 0.00 173.24 176.03 3ibg h ILE 100 N 0.53 1.25 0.31 -1.02 2.04 -1.99 -1.69 117.51 116.93 3ibg h ILE 100 Ca -0.42 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 3ibg h ILE 100 Cb 1.28 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3ibg h ILE 100 CO 0.49 0.28 -0.15 1.56 0.00 0.00 0.00 178.15 180.33 3ibg h GLN 101 N 1.22 -0.40 -0.94 2.37 1.08 -1.98 -1.12 115.11 115.34 3ibg h GLN 101 Ca 0.31 0.03 0.20 0.00 -1.45 0.00 0.00 58.65 57.74 3ibg h GLN 101 Cb 0.01 0.09 -0.18 0.00 -0.05 0.00 0.00 27.48 27.35 3ibg h GLN 101 CO -0.05 -0.26 -0.17 -0.44 -0.95 0.00 0.00 178.83 176.96 3ibg h ASP 102 N -0.43 -0.77 -0.19 1.46 5.19 -1.81 -0.01 116.42 119.86 3ibg h ASP 102 Ca -0.04 0.28 -0.06 0.00 -0.62 0.00 0.00 57.03 56.59 3ibg h ASP 102 Cb 0.33 0.55 -0.00 0.00 0.18 0.00 0.00 39.33 40.39 3ibg h ASP 102 CO 0.07 -0.31 -0.11 0.25 -3.12 0.00 0.00 179.24 176.01 3ibg h LEU 103 N 0.01 0.42 -2.25 1.55 5.85 -1.17 -3.06 115.31 116.66 3ibg h LEU 103 Ca 0.48 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3ibg h LEU 103 Cb 0.79 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 3ibg h LEU 103 CO -0.95 0.76 -0.03 -0.07 -0.34 0.00 0.00 178.44 177.81 3ibg h LEU 104 N 0.09 0.00 -0.11 2.25 3.38 0.16 -2.63 115.31 118.44 3ibg h LEU 104 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ibg h LEU 104 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3ibg h LEU 104 CO 0.03 0.03 -0.09 0.00 0.09 0.00 0.00 178.44 178.51 3ibg n ALA 105 N -2.36 2.67 -1.44 1.53 0.00 -0.16 -5.09 120.51 115.66 3ibg n ALA 105 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3ibg n ALA 105 Cb 0.12 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.17 0.00 0.00 0.00 3.41 -1.00 -5.10 113.62 109.76 3ibg n SER 106 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 3ibg n SER 106 Cb 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.12 4.33 1.13 -1.26 -5.11 117.38 116.60 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 0.22 0.00 0.11 0.00 0.00 30.24 30.57 3ibg n GLN 125 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 3ibg h ASP 126 N 0.00 0.00 0.00 1.08 3.04 -2.07 -3.28 116.42 115.19 3ibg h ASP 126 Ca 0.00 -0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.73 3ibg h ASP 126 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3ibg h ASP 126 CO 0.00 0.03 0.00 0.18 -2.04 0.00 0.00 179.24 177.41 3ibg n LEU 127 N -2.48 2.04 0.03 0.15 4.32 -1.26 -3.24 117.00 116.56 3ibg n LEU 127 Ca 0.04 -1.02 0.07 0.00 -0.02 0.00 0.00 56.01 55.07 3ibg n LEU 127 Cb 0.48 -0.43 -0.09 0.00 -1.62 0.00 0.00 43.42 41.75 3ibg n LEU 127 CO 0.34 0.36 -0.42 0.00 -1.22 0.00 0.00 177.39 176.46 3ibg n ALA 128 N 0.41 2.39 -1.39 -1.18 0.00 -1.24 -4.12 120.51 115.38 3ibg n ALA 128 Ca 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 53.44 52.91 3ibg n ALA 128 Cb 0.36 -0.87 0.21 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.59 1.07 0.03 0.00 3.72 -1.20 -4.74 117.46 113.75 3ibg n PHE 129 Ca -0.07 -1.51 -0.06 0.00 -0.05 0.00 0.00 57.45 55.76 3ibg n PHE 129 Cb 0.68 -0.47 -0.12 0.00 -0.94 0.00 0.00 39.48 38.63 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 1.08 0.00 -3.36 4.37 4.64 -1.77 -3.44 113.55 115.07 3ibg h SER 130 Ca 0.20 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.95 3ibg h SER 130 Cb 1.64 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.66 3ibg h SER 130 CO 0.37 0.94 0.16 -0.63 -0.87 0.00 0.00 176.83 176.80 3ibg s ILE 131 N -2.70 5.00 0.65 0.95 -1.09 -1.26 -4.98 121.20 117.78 3ibg s ILE 131 Ca -0.01 1.44 -0.13 0.00 -2.23 0.00 0.00 60.65 59.72 3ibg s ILE 131 Cb 0.09 -4.05 -0.01 0.00 -1.58 0.00 0.00 42.46 36.91 3ibg s ILE 131 CO 0.82 0.17 1.06 -2.84 -1.23 0.00 0.00 174.94 172.92 3ibg s PRO 132 N 1.31 3.10 0.66 2.79 0.02 -1.26 -5.01 135.00 136.61 3ibg s PRO 132 Ca 0.36 1.05 -0.03 0.00 0.02 0.00 0.00 61.00 62.40 3ibg s PRO 132 Cb -0.17 -2.01 0.07 0.00 0.02 0.00 0.00 34.50 32.41 3ibg s PRO 132 CO 0.15 -0.97 0.94 0.20 -0.33 0.00 0.00 177.00 176.99 3ibg s GLY 133 N -3.41 1.76 0.27 0.52 0.00 -1.26 -4.93 107.32 100.27 3ibg s GLY 133 Ca 0.60 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 44.11 3ibg s GLY 133 CO 0.48 -0.82 1.73 -2.08 0.00 0.00 0.00 173.10 172.41 3ibg h VAL 134 N -0.39 1.26 -0.37 1.40 2.07 -1.92 -1.96 116.25 116.34 3ibg h VAL 134 Ca -0.42 -1.19 -0.15 0.00 0.82 0.00 0.00 66.70 65.76 3ibg h VAL 134 Cb 1.30 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 3ibg h VAL 134 CO 0.53 0.39 -0.34 0.44 0.02 0.00 0.00 177.57 178.61 3ibg h ASP 135 N 0.50 0.93 -0.25 0.57 3.32 -1.94 -1.31 116.42 118.25 3ibg h ASP 135 Ca 0.08 -0.46 -0.05 0.00 0.02 0.00 0.00 57.03 56.62 3ibg h ASP 135 Cb 0.62 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3ibg h ASP 135 CO 0.04 1.20 -0.03 -0.08 -1.72 0.00 0.00 179.24 178.65 3ibg h GLU 136 N 0.68 0.46 -0.82 3.56 4.81 -1.61 -1.88 114.58 119.78 3ibg h GLU 136 Ca 0.06 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3ibg h GLU 136 Cb 0.93 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.23 3ibg h GLU 136 CO 0.09 0.66 0.53 0.00 -0.73 0.00 0.00 179.01 179.56 3ibg h ALA 137 N 0.78 1.05 -0.44 2.92 0.00 -1.35 -2.46 119.26 119.76 3ibg h ALA 137 Ca 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3ibg h ALA 137 Cb 0.47 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3ibg h ALA 137 CO 0.02 0.41 0.17 0.52 0.00 0.00 0.00 179.25 180.37 3ibg h MET 138 N 1.08 0.66 -0.79 0.00 2.86 -1.11 -2.05 114.93 115.58 3ibg h MET 138 Ca 0.31 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.85 3ibg h MET 138 Cb -0.08 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.43 3ibg h MET 138 CO -0.08 0.61 0.51 1.03 1.06 0.00 0.00 176.91 180.04 3ibg h SER 139 N 0.57 0.85 -0.15 1.22 0.87 -1.04 -0.52 113.55 115.35 3ibg h SER 139 Ca 0.15 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3ibg h SER 139 Cb 0.20 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3ibg h SER 139 CO -0.01 0.60 0.06 0.15 -0.53 0.00 0.00 176.83 177.10 3ibg h PHE 140 N 1.01 0.23 -0.96 2.24 3.57 -1.31 -2.12 116.94 119.60 3ibg h PHE 140 Ca 0.31 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.95 3ibg h PHE 140 Cb -0.03 -0.07 -0.10 0.00 2.79 0.00 0.00 35.95 38.54 3ibg h PHE 140 CO -0.03 0.30 0.56 0.00 -2.23 0.00 0.00 178.31 176.92 3ibg h ALA 141 N 0.90 1.52 -0.58 2.41 0.00 -0.65 0.21 119.26 123.08 3ibg h ALA 141 Ca 0.05 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3ibg h ALA 141 Cb 0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3ibg h ALA 141 CO -0.00 -0.01 0.19 0.93 0.00 0.00 0.00 179.25 180.36 3ibg h GLU 142 N 0.76 0.86 -0.06 0.00 4.39 -0.70 -1.82 114.58 118.01 3ibg h GLU 142 Ca 0.53 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 60.05 3ibg h GLU 142 Cb 0.75 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 3ibg h GLU 142 CO -0.36 0.73 -0.06 0.28 -1.16 0.00 0.00 179.01 178.45 3ibg h VAL 143 N 0.84 1.38 -0.92 3.13 2.07 -0.01 -1.94 116.25 120.79 3ibg h VAL 143 Ca 0.19 -1.22 0.19 0.00 0.82 0.00 0.00 66.70 66.67 3ibg h VAL 143 Cb 0.22 2.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.98 3ibg h VAL 143 CO -0.01 0.34 0.59 -0.07 0.02 0.00 0.00 177.57 178.44 3ibg h LEU 144 N -0.30 0.53 0.34 2.57 3.38 -0.98 0.22 115.31 121.06 3ibg h LEU 144 Ca 0.01 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3ibg h LEU 144 Cb 0.57 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3ibg h LEU 144 CO 0.01 0.22 -0.16 0.50 0.09 0.00 0.00 178.44 179.11 3ibg h LYS 145 N 0.54 -0.44 -0.27 1.13 3.64 -1.08 -1.21 116.57 118.88 3ibg h LYS 145 Ca 0.48 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.96 3ibg h LYS 145 Cb 1.01 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.85 3ibg h LYS 145 CO -0.22 -0.26 -0.28 1.96 -2.27 0.00 0.00 179.45 178.38 3ibg h GLN 146 N -0.51 -0.27 -0.14 1.90 4.20 -0.33 -2.61 115.11 117.36 3ibg h GLN 146 Ca -0.05 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3ibg h GLN 146 Cb 0.38 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 3ibg h GLN 146 CO 0.08 -0.18 0.08 0.28 -0.67 0.00 0.00 178.83 178.41 3ibg h VAL 147 N -0.28 1.05 -0.31 -0.54 2.07 -0.42 -0.98 116.25 116.83 3ibg h VAL 147 Ca 0.14 -0.12 -0.18 0.00 0.82 0.00 0.00 66.70 67.36 3ibg h VAL 147 Cb 0.50 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3ibg h VAL 147 CO -0.43 0.05 -0.50 0.50 0.02 0.00 0.00 177.57 177.21 3ibg h LYS 148 N 0.19 0.88 -0.45 1.57 3.64 -0.86 -3.01 116.57 118.53 3ibg h LYS 148 Ca 0.05 -0.54 0.05 0.00 -1.27 0.00 0.00 60.65 58.94 3ibg h LYS 148 Cb 0.01 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3ibg h LYS 148 CO -0.01 1.18 0.30 0.77 -2.27 0.00 0.00 179.45 179.42 3ibg h SER 149 N 0.67 0.36 -0.37 4.20 0.02 -0.88 -2.44 113.55 115.12 3ibg h SER 149 Ca 0.02 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 3ibg h SER 149 Cb 1.11 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 3ibg h SER 149 CO 0.11 0.24 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.96 3ibg h LEU 150 N 0.41 0.73 -1.85 5.07 3.38 -1.33 -3.47 115.31 118.25 3ibg h LEU 150 Ca 0.19 -0.18 -0.24 0.00 0.09 0.00 0.00 57.88 57.75 3ibg h LEU 150 Cb 0.24 -0.19 0.13 0.00 0.09 0.00 0.00 40.66 40.93 3ibg h LEU 150 CO -0.05 0.81 -0.59 -1.20 0.09 0.00 0.00 178.44 177.50 3ibg n SER 151 N -4.22 -2.50 -4.77 -0.43 7.64 -0.92 -5.01 113.62 103.42 3ibg n SER 151 Ca 0.02 -0.47 -0.38 0.00 1.01 0.00 0.00 58.87 59.05 3ibg n SER 151 Cb 0.30 -3.97 -0.06 0.00 -1.01 0.00 0.00 64.21 59.47 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 -3.27 3.84 0.07 1.43 2.02 -1.26 -5.00 117.35 115.18 3ibg s TYR 152 Ca 0.05 1.81 -0.27 0.00 -0.37 0.00 0.00 57.07 58.28 3ibg s TYR 152 Cb -0.01 -2.92 -0.17 0.00 -0.40 0.00 0.00 41.96 38.47 3ibg s TYR 152 CO 0.55 0.35 1.65 1.49 -1.57 0.00 0.00 175.55 178.02 3ibg h GLU 153 N 3.71 -0.39 -3.96 -0.62 4.57 -1.94 -3.45 114.58 112.50 3ibg h GLU 153 Ca -0.46 0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 57.59 3ibg h GLU 153 Cb 1.20 0.09 -0.20 0.00 -0.16 0.00 0.00 28.75 29.67 3ibg h GLU 153 CO 0.66 -0.24 -0.67 0.54 -1.18 0.00 0.00 179.01 178.12 3ibg s VAL 154 N -5.98 0.12 -0.13 0.32 0.11 -1.13 -4.77 120.40 108.94 3ibg s VAL 154 Ca -0.15 -1.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.90 3ibg s VAL 154 Cb 0.05 -0.45 0.02 0.00 -1.53 0.00 0.00 36.38 34.47 3ibg s VAL 154 CO 0.64 -0.55 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.08 3ibg s ILE 155 N -1.78 1.53 -0.28 7.04 1.01 0.12 -1.63 121.20 127.20 3ibg s ILE 155 Ca -0.13 -0.63 -0.20 0.00 0.00 0.00 0.00 60.65 59.69 3ibg s ILE 155 Cb -0.07 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 3ibg s ILE 155 CO -0.02 0.45 0.63 -0.69 0.00 0.00 0.00 174.94 175.31 3ibg s VAL 156 N 1.29 4.95 -0.59 2.92 1.01 -0.08 -1.27 120.40 128.64 3ibg s VAL 156 Ca 0.00 0.97 -0.15 0.00 0.00 0.00 0.00 61.98 62.80 3ibg s VAL 156 Cb -0.14 -3.97 0.15 0.00 0.00 0.00 0.00 36.38 32.42 3ibg s VAL 156 CO -0.07 -0.07 0.54 0.12 0.00 0.00 0.00 175.10 175.62 3ibg s PHE 157 N 2.57 3.35 -0.91 5.22 5.99 -0.67 -1.63 117.98 131.90 3ibg s PHE 157 Ca 0.26 -1.45 -0.24 0.00 0.00 0.00 0.00 56.93 55.49 3ibg s PHE 157 Cb -0.15 -3.79 0.00 0.00 0.00 0.00 0.00 43.02 39.08 3ibg s PHE 157 CO 0.10 -1.01 1.67 0.34 -0.00 0.00 0.00 175.22 176.32 3ibg s ASP 158 N 3.29 5.82 0.97 6.13 2.15 0.02 -1.35 116.67 133.70 3ibg s ASP 158 Ca 0.06 -0.89 -0.12 0.00 0.43 0.00 0.00 52.55 52.03 3ibg s ASP 158 Cb -0.26 -2.56 0.17 0.00 -0.30 0.00 0.00 42.92 39.97 3ibg s ASP 158 CO 0.01 -2.10 1.08 0.42 -0.17 0.00 0.00 175.17 174.41 3ibg s THR 159 N 7.42 2.37 -0.08 1.71 -4.23 -0.93 -1.60 115.64 120.31 3ibg s THR 159 Ca 0.56 0.12 -0.26 0.00 -1.18 0.00 0.00 61.69 60.93 3ibg s THR 159 Cb -0.05 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.29 3ibg s THR 159 CO -0.01 -0.16 0.84 0.00 -0.54 0.00 0.00 174.62 174.75 3ibg s ALA 160 N -2.82 3.34 -0.09 3.99 0.00 -1.26 -4.17 121.76 120.74 3ibg s ALA 160 Ca 0.65 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.86 3ibg s ALA 160 Cb -0.20 -3.17 0.11 0.00 0.00 0.00 0.00 23.12 19.86 3ibg s ALA 160 CO 0.59 -0.32 1.32 -2.30 0.00 0.00 0.00 175.76 175.05 3ibg n PRO 161 N 4.28 1.24 0.00 0.00 -0.02 -1.26 -3.94 135.00 135.31 3ibg n PRO 161 Ca 0.03 -0.56 0.00 0.00 -2.02 0.00 0.00 63.50 60.95 3ibg n PRO 161 Cb 0.50 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 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 0.36 0.00 0.20 3.45 -2.24 -1.26 -4.14 114.28 110.64 3ibg n THR 162 Ca 0.11 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.97 3ibg n THR 162 Cb 0.68 -0.58 0.29 0.00 -2.10 0.00 0.00 70.33 68.62 3ibg n THR 162 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3ibg h GLY 163 N 0.00 0.00 -4.10 3.38 0.00 -2.03 -3.30 103.07 97.02 3ibg h GLY 163 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 3ibg h GLY 163 CO 0.00 0.00 0.72 1.42 0.00 0.00 0.00 176.54 178.68 3ibg n HIS 164 N -3.29 3.17 -0.31 5.60 8.25 -1.26 -4.70 115.22 122.68 3ibg n HIS 164 Ca 0.01 -2.88 0.02 0.00 -0.26 0.00 0.00 57.72 54.62 3ibg n HIS 164 Cb 0.54 -1.30 0.21 0.00 1.12 0.00 0.00 29.99 30.56 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 1.25 1.12 -0.64 1.59 2.02 -1.68 -2.67 112.91 113.90 3ibg h THR 165 Ca 0.58 -0.38 -0.35 0.00 0.77 0.00 0.00 66.41 67.03 3ibg h THR 165 Cb 0.79 -0.07 -0.21 0.00 -1.74 0.00 0.00 68.15 66.92 3ibg h THR 165 CO 1.49 0.20 0.21 0.18 0.37 0.00 0.00 175.52 177.97 3ibg n LEU 166 N -4.46 5.34 -0.00 2.58 4.77 -1.26 -4.51 117.00 119.46 3ibg n LEU 166 Ca 0.13 -3.82 -0.03 0.00 -0.03 0.00 0.00 56.01 52.26 3ibg n LEU 166 Cb 0.14 -0.72 0.20 0.00 -2.33 0.00 0.00 43.42 40.71 3ibg n LEU 166 CO 0.34 1.25 0.77 -0.09 -1.33 0.00 0.00 177.39 178.33 3ibg h ARG 167 N 1.13 0.53 0.00 3.23 2.43 -1.84 -2.48 114.38 117.38 3ibg h ARG 167 Ca 0.40 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3ibg h ARG 167 Cb 2.02 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.53 3ibg h ARG 167 CO 0.75 0.70 0.00 1.97 -1.51 0.00 0.00 179.97 181.88 3ibg n PHE 168 N -4.15 0.76 1.48 2.20 1.16 -1.26 -2.07 117.46 115.59 3ibg n PHE 168 Ca 0.00 0.37 0.14 0.00 -1.87 0.00 0.00 57.45 56.09 3ibg n PHE 168 Cb 0.38 -1.09 0.76 0.00 -1.61 0.00 0.00 39.48 37.92 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 -2.26 0.00 -0.46 5.98 4.77 -0.93 -2.15 117.00 121.96 3ibg n LEU 169 Ca -0.00 0.20 0.12 0.00 -0.03 0.00 0.00 56.01 56.30 3ibg n LEU 169 Cb 0.09 -0.20 0.17 0.00 -2.33 0.00 0.00 43.42 41.15 3ibg n LEU 169 CO 0.13 -0.01 0.49 0.00 -1.33 0.00 0.00 177.39 176.67 3ibg n GLN 170 N -1.20 1.23 -0.26 3.23 6.02 -0.88 -4.49 117.38 121.02 3ibg n GLN 170 Ca 0.16 -0.92 -0.06 0.00 -0.01 0.00 0.00 57.00 56.17 3ibg n GLN 170 Cb 0.19 -1.48 0.07 0.00 1.02 0.00 0.00 30.24 30.04 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 2.23 1.18 -0.40 1.08 0.04 -1.61 -0.83 116.94 118.63 3ibg h PHE 171 Ca 0.00 -0.11 0.03 0.00 2.80 0.00 0.00 57.97 60.68 3ibg h PHE 171 Cb 0.68 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 3ibg h PHE 171 CO 0.00 0.93 0.21 -1.35 -0.60 0.00 0.00 178.31 177.49 3ibg h PRO 172 N 1.10 0.41 0.00 1.51 0.11 -1.80 -0.47 132.00 132.86 3ibg h PRO 172 Ca 0.24 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.26 3ibg h PRO 172 Cb 0.29 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 3ibg h PRO 172 CO -0.01 0.27 -0.30 1.79 -0.21 0.00 0.00 178.00 179.54 3ibg h THR 173 N 0.42 0.64 -0.07 -1.15 1.35 -1.80 -0.94 112.91 111.36 3ibg h THR 173 Ca 0.17 -1.43 -0.06 0.00 -0.55 0.00 0.00 66.41 64.54 3ibg h THR 173 Cb 0.06 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3ibg h THR 173 CO -0.11 0.29 -0.19 0.58 -0.25 0.00 0.00 175.52 175.84 3ibg h VAL 174 N 0.00 1.42 -0.26 6.82 2.07 -0.85 -2.85 116.25 122.60 3ibg h VAL 174 Ca -0.00 -1.55 -0.10 0.00 0.82 0.00 0.00 66.70 65.86 3ibg h VAL 174 Cb 0.93 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 3ibg h VAL 174 CO 0.04 0.44 -0.27 -0.07 0.02 0.00 0.00 177.57 177.72 3ibg h LEU 175 N -0.25 0.53 -0.74 2.57 3.38 -1.04 -2.36 115.31 117.40 3ibg h LEU 175 Ca -0.00 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 3ibg h LEU 175 Cb 0.80 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3ibg h LEU 175 CO 0.04 0.79 -0.15 -0.33 0.09 0.00 0.00 178.44 178.88 3ibg h GLU 176 N 0.46 0.80 -0.57 1.13 5.08 -1.24 0.14 114.58 120.38 3ibg h GLU 176 Ca 0.06 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 58.04 3ibg h GLU 176 Cb 0.71 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 3ibg h GLU 176 CO 0.05 0.90 -0.01 0.87 -1.00 0.00 0.00 179.01 179.83 3ibg h LYS 177 N 0.72 1.02 0.54 2.33 1.57 -1.37 -1.26 116.57 120.12 3ibg h LYS 177 Ca 0.11 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 3ibg h LYS 177 Cb 0.65 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.87 3ibg h LYS 177 CO 0.05 1.01 -0.26 0.00 -0.57 0.00 0.00 179.45 179.68 3ibg h ALA 178 N 0.97 -0.73 -0.88 3.86 0.00 -1.16 -1.16 119.26 120.16 3ibg h ALA 178 Ca 0.16 -0.19 0.25 0.00 0.00 0.00 0.00 54.91 55.14 3ibg h ALA 178 Cb 0.56 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3ibg h ALA 178 CO 0.03 -0.84 0.63 1.25 0.00 0.00 0.00 179.25 180.32 3ibg h LEU 179 N -0.87 0.03 0.24 0.00 5.85 -0.64 0.21 115.31 120.13 3ibg h LEU 179 Ca -0.07 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3ibg h LEU 179 Cb 0.61 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3ibg h LEU 179 CO 0.12 0.01 -0.12 0.00 -0.34 0.00 0.00 178.44 178.12 3ibg h ALA 180 N 1.57 -0.32 -0.90 1.25 0.00 -0.92 -1.10 119.26 118.83 3ibg h ALA 180 Ca 0.42 -0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.36 3ibg h ALA 180 Cb 1.64 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.49 3ibg h ALA 180 CO -0.02 -0.32 0.58 -0.22 0.00 0.00 0.00 179.25 179.27 3ibg h LYS 181 N -1.04 0.58 -0.28 0.00 1.63 -0.54 0.21 116.57 117.14 3ibg h LYS 181 Ca -0.03 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.63 3ibg h LYS 181 Cb 0.37 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 3ibg h LYS 181 CO 0.05 0.38 -0.21 1.25 -3.45 0.00 0.00 179.45 177.47 3ibg h LEU 182 N 0.60 0.67 -0.88 5.20 5.85 -0.65 -2.35 115.31 123.74 3ibg h LEU 182 Ca 0.46 -0.45 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 3ibg h LEU 182 Cb 0.88 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3ibg h LEU 182 CO -0.21 0.98 -0.48 -1.28 -0.34 0.00 0.00 178.44 177.11 3ibg h SER 183 N 0.37 0.20 -0.11 1.25 0.87 0.13 -2.71 113.55 113.55 3ibg h SER 183 Ca 0.05 -0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 60.38 3ibg h SER 183 Cb 0.76 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 3ibg h SER 183 CO 0.06 0.65 -0.40 -0.61 -0.53 0.00 0.00 176.83 175.99 3ibg h GLN 184 N 0.15 0.64 -0.77 2.24 4.15 -0.56 -2.59 115.11 118.37 3ibg h GLN 184 Ca 0.01 -0.33 -0.05 0.00 0.77 0.00 0.00 58.65 59.05 3ibg h GLN 184 Cb 0.90 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.57 3ibg h GLN 184 CO 0.07 0.93 0.30 -0.07 -1.93 0.00 0.00 178.83 178.13 3ibg h LEU 185 N 0.52 1.06 -2.04 -2.39 3.38 -1.31 -1.99 115.31 112.55 3ibg h LEU 185 Ca 0.04 -0.18 0.12 0.00 0.09 0.00 0.00 57.88 57.96 3ibg h LEU 185 Cb 0.93 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3ibg h LEU 185 CO 0.08 0.95 0.38 -1.28 0.09 0.00 0.00 178.44 178.66 3ibg h SER 186 N 1.11 0.00 1.31 -0.43 0.87 -1.14 0.10 113.55 115.37 3ibg h SER 186 Ca 0.25 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.74 3ibg h SER 186 Cb 0.22 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3ibg h SER 186 CO -0.02 0.00 -0.37 0.28 -0.53 0.00 0.00 176.83 176.19 3ibg h SER 187 N 0.00 0.00 -2.13 6.23 0.02 -1.18 -3.20 113.55 113.29 3ibg h SER 187 Ca 0.20 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.41 3ibg h SER 187 Cb 0.95 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.18 3ibg h SER 187 CO -0.00 0.37 0.55 0.00 -1.14 0.00 0.00 176.83 176.61 3ibg n GLN 188 N -3.29 4.22 0.00 3.45 3.00 0.34 -5.14 117.38 119.96 3ibg n GLN 188 Ca 0.01 -4.43 0.00 0.00 -0.01 0.00 0.00 57.00 52.57 3ibg n GLN 188 Cb 0.61 -2.36 0.00 0.00 0.00 0.00 0.00 30.24 28.49 3ibg n GLN 188 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3ibg n PHE 189 N -0.25 0.00 0.00 1.08 7.35 -1.21 -5.00 117.46 119.43 3ibg n PHE 189 Ca 0.45 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.14 3ibg n PHE 189 Cb 0.32 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.15 3ibg n PHE 189 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3ibg n SER 195 N 0.00 0.00 0.00 -2.13 2.88 -1.26 -4.95 113.62 108.16 3ibg n SER 195 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 3ibg n SER 195 Cb 0.00 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 63.79 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 -1.57 0.58 0.07 2.46 3.06 -1.26 -2.40 119.36 120.30 3ibg n ILE 196 Ca 0.00 0.15 -0.14 0.00 -2.50 0.00 0.00 62.75 60.25 3ibg n ILE 196 Cb 0.00 -0.93 -0.14 0.00 0.54 0.00 0.00 39.64 39.11 3ibg n ILE 196 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 3ibg h LEU 197 N 0.00 0.31 0.00 9.51 3.38 -1.99 -3.49 115.31 123.03 3ibg h LEU 197 Ca 0.00 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3ibg h LEU 197 Cb 0.11 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ibg h LEU 197 CO 0.00 1.32 0.00 0.61 0.09 0.00 0.00 178.44 180.46 3ibg n GLY 198 N 1.57 3.18 0.33 0.83 0.00 -1.01 -3.12 105.19 106.97 3ibg n GLY 198 Ca -0.12 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.76 1.56 -0.24 4.61 0.00 -1.94 0.48 119.26 122.96 3ibg h ALA 199 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ibg h ALA 199 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ibg h ALA 199 CO 0.00 -0.18 0.00 0.54 0.00 0.00 0.00 179.25 179.61 3ibg n ARG 200 N -4.89 1.72 -0.01 0.00 1.74 -1.18 -3.84 116.66 110.19 3ibg n ARG 200 Ca 0.23 -0.94 -0.01 0.00 -0.77 0.00 0.00 57.85 56.36 3ibg n ARG 200 Cb 0.60 -1.30 -0.12 0.00 -1.02 0.00 0.00 32.46 30.63 3ibg n ARG 200 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ibg n GLY 201 N 0.78 -1.11 3.45 -0.13 0.00 0.16 -4.95 105.19 103.39 3ibg n GLY 201 Ca 0.09 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.93 1.50 0.59 -0.02 0.00 -1.25 -4.97 107.32 98.24 3ibg s GLY 202 Ca -0.06 -0.42 -0.18 0.00 0.00 0.00 0.00 44.72 44.06 3ibg s GLY 202 CO 0.83 0.40 1.14 1.08 0.00 0.00 0.00 173.10 176.55 3ibg s LEU 203 N -7.36 3.61 0.27 0.66 1.43 -1.26 -5.01 118.68 111.02 3ibg s LEU 203 Ca 0.68 2.18 -0.29 0.00 -1.03 0.00 0.00 54.13 55.67 3ibg s LEU 203 Cb -0.20 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.35 3ibg s LEU 203 CO 0.62 -1.46 0.96 -2.84 0.23 0.00 0.00 176.35 173.86 3ibg s PRO 204 N -3.55 4.74 0.00 1.29 0.02 -1.26 -2.72 135.00 133.53 3ibg s PRO 204 Ca 0.72 1.49 0.00 0.00 0.02 0.00 0.00 61.00 63.23 3ibg s PRO 204 Cb -0.24 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.15 3ibg s PRO 204 CO 0.33 0.40 0.00 0.41 -0.33 0.00 0.00 177.00 177.81 3ibg n GLY 205 N 1.20 3.02 1.90 0.52 0.00 -1.26 -4.60 105.19 105.97 3ibg n GLY 205 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.92 0.77 3.75 -0.02 0.00 -1.10 -5.00 105.19 102.67 3ibg n GLY 206 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.27 4.15 -0.41 1.61 1.11 -1.26 -4.95 119.66 119.64 3ibg s GLN 207 Ca 0.00 2.52 -0.11 0.00 0.01 0.00 0.00 55.36 57.78 3ibg s GLN 207 Cb 0.00 -3.04 0.06 0.00 -1.01 0.00 0.00 33.01 29.02 3ibg s GLN 207 CO 0.00 -0.58 0.27 1.21 0.01 0.00 0.00 175.29 176.19 3ibg s ASN 208 N 0.42 5.79 0.09 5.90 2.47 -1.26 -4.49 114.94 123.85 3ibg s ASN 208 Ca 0.62 -1.26 -0.23 0.00 0.42 0.00 0.00 52.86 52.41 3ibg s ASN 208 Cb -0.46 -2.04 -0.15 0.00 -1.45 0.00 0.00 41.25 37.14 3ibg s ASN 208 CO 0.48 -0.50 1.73 0.40 -3.72 0.00 0.00 177.10 175.49 3ibg h ILE 209 N 5.93 0.98 0.00 -5.21 2.04 -1.99 -1.45 117.51 117.80 3ibg h ILE 209 Ca -0.25 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3ibg h ILE 209 Cb 1.10 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 3ibg h ILE 209 CO 0.74 0.00 -0.03 0.44 0.00 0.00 0.00 178.15 179.31 3ibg h ASP 210 N -0.04 0.00 0.62 1.72 3.32 -1.97 0.27 116.42 120.34 3ibg h ASP 210 Ca -0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 3ibg h ASP 210 Cb 0.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3ibg h ASP 210 CO 0.01 0.03 -1.36 -0.08 -1.72 0.00 0.00 179.24 176.12 3ibg h GLU 211 N 0.00 0.18 0.12 3.56 4.81 -1.83 -3.22 114.58 118.20 3ibg h GLU 211 Ca -0.00 -0.31 -0.28 0.00 -0.13 0.00 0.00 59.36 58.65 3ibg h GLU 211 Cb 0.13 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.62 3ibg h GLU 211 CO 0.00 1.06 -1.29 -0.07 -0.73 0.00 0.00 179.01 177.99 3ibg h LEU 212 N 0.05 0.40 -2.44 1.64 3.38 -0.37 -2.96 115.31 115.00 3ibg h LEU 212 Ca -0.17 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.37 3ibg h LEU 212 Cb 1.95 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.57 3ibg h LEU 212 CO 0.16 1.35 0.16 0.25 0.09 0.00 0.00 178.44 180.46 3ibg h LEU 213 N 0.07 0.00 0.00 1.67 5.85 -0.60 0.11 115.31 122.41 3ibg h LEU 213 Ca -0.15 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3ibg h LEU 213 Cb 1.97 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.00 3ibg h LEU 213 CO 0.19 0.00 -0.11 1.56 -0.34 0.00 0.00 178.44 179.75 3ibg h GLN 214 N 0.00 0.00 -0.85 1.25 4.20 -1.53 -2.56 115.11 115.63 3ibg h GLN 214 Ca 0.03 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.91 3ibg h GLN 214 Cb 0.36 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.03 3ibg h GLN 214 CO -0.00 0.33 0.39 0.87 -0.67 0.00 0.00 178.83 179.75 3ibg h LYS 215 N -1.00 0.48 -0.44 1.46 1.57 -1.40 0.11 116.57 117.34 3ibg h LYS 215 Ca -0.02 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 3ibg h LYS 215 Cb 0.39 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3ibg h LYS 215 CO -0.01 0.32 -0.27 1.98 -0.57 0.00 0.00 179.45 180.89 3ibg h MET 216 N 0.49 0.96 -0.33 3.15 4.05 -0.90 0.24 114.93 122.59 3ibg h MET 216 Ca 0.49 -0.44 -0.11 0.00 -0.28 0.00 0.00 59.70 59.36 3ibg h MET 216 Cb 0.81 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 3ibg h MET 216 CO -0.44 1.10 -0.23 1.49 0.23 0.00 0.00 176.91 179.06 3ibg h GLU 217 N 0.81 0.74 -0.60 0.39 4.22 -0.92 -1.29 114.58 117.93 3ibg h GLU 217 Ca 0.09 -0.35 -0.06 0.00 0.08 0.00 0.00 59.36 59.12 3ibg h GLU 217 Cb 0.85 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 3ibg h GLU 217 CO 0.08 0.97 0.13 1.03 -2.18 0.00 0.00 179.01 179.04 3ibg h SER 218 N 0.51 0.89 0.12 1.04 0.87 -0.59 -1.06 113.55 115.32 3ibg h SER 218 Ca 0.06 -0.18 -0.21 0.00 -1.23 0.00 0.00 61.79 60.24 3ibg h SER 218 Cb 0.79 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 3ibg h SER 218 CO 0.06 0.87 -0.80 -0.07 -0.53 0.00 0.00 176.83 176.36 3ibg h LEU 219 N 0.90 0.67 -1.11 2.23 3.38 -0.91 -2.48 115.31 117.98 3ibg h LEU 219 Ca 0.19 -0.46 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 3ibg h LEU 219 Cb 0.34 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3ibg h LEU 219 CO 0.00 1.23 -0.08 -0.09 0.09 0.00 0.00 178.44 179.60 3ibg h ARG 220 N 0.37 0.53 -0.04 1.13 2.43 -0.97 -0.81 114.38 117.02 3ibg h ARG 220 Ca -0.05 -0.14 -0.17 0.00 -0.81 0.00 0.00 59.98 58.81 3ibg h ARG 220 Cb 1.40 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 3ibg h ARG 220 CO 0.15 0.61 -0.72 1.49 -1.51 0.00 0.00 179.97 179.99 3ibg h GLU 221 N 0.50 0.23 0.08 0.20 4.81 -1.13 -0.85 114.58 118.41 3ibg h GLU 221 Ca 0.10 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3ibg h GLU 221 Cb 0.44 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3ibg h GLU 221 CO 0.02 0.85 -0.04 1.15 -0.73 0.00 0.00 179.01 180.27 3ibg h THR 222 N 0.15 1.12 -0.87 0.32 2.02 -1.18 -2.65 112.91 111.81 3ibg h THR 222 Ca -0.02 -0.74 0.06 0.00 0.77 0.00 0.00 66.41 66.48 3ibg h THR 222 Cb 1.28 1.59 -0.06 0.00 -1.74 0.00 0.00 68.15 69.22 3ibg h THR 222 CO 0.11 0.18 0.55 0.40 0.37 0.00 0.00 175.52 177.13 3ibg h ILE 223 N -0.45 1.06 -0.46 3.11 1.08 -1.09 -2.54 117.51 118.23 3ibg h ILE 223 Ca -0.01 -0.34 -0.14 0.00 -0.39 0.00 0.00 64.86 63.98 3ibg h ILE 223 Cb 0.38 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.09 3ibg h ILE 223 CO 0.02 0.18 -0.25 0.28 -0.69 0.00 0.00 178.15 177.69 3ibg h SER 224 N 1.00 1.00 0.18 1.72 0.02 -1.19 0.25 113.55 116.53 3ibg h SER 224 Ca 0.38 -0.40 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3ibg h SER 224 Cb 0.15 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3ibg h SER 224 CO -0.17 1.19 -0.22 -0.33 -1.14 0.00 0.00 176.83 176.16 3ibg h GLU 225 N 0.83 -0.40 -0.86 3.45 5.08 -1.24 0.44 114.58 121.88 3ibg h GLU 225 Ca 0.10 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.67 3ibg h GLU 225 Cb 0.83 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 30.06 3ibg h GLU 225 CO 0.07 -0.27 0.40 0.28 -1.00 0.00 0.00 179.01 178.50 3ibg h VAL 226 N -0.42 0.60 -0.03 3.13 2.07 -1.47 -1.30 116.25 118.83 3ibg h VAL 226 Ca -0.02 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3ibg h VAL 226 Cb 0.37 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3ibg h VAL 226 CO -0.05 0.09 0.02 -1.13 0.02 0.00 0.00 177.57 176.52 3ibg h ASN 227 N 0.50 0.04 0.81 0.57 -0.73 -0.55 -0.82 115.58 115.40 3ibg h ASN 227 Ca 0.50 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.57 3ibg h ASN 227 Cb 0.84 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.42 3ibg h ASN 227 CO -0.45 0.13 0.00 0.35 -0.37 0.00 0.00 177.43 177.10 3ibg n THR 228 N -5.01 0.80 0.02 -3.57 -2.24 0.11 -1.42 114.28 102.96 3ibg n THR 228 Ca -0.07 0.18 -0.19 0.00 -2.27 0.00 0.00 64.05 61.71 3ibg n THR 228 Cb 0.08 -1.12 -0.10 0.00 -2.10 0.00 0.00 70.33 67.09 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 0.70 -0.95 -0.78 4.20 -0.75 -3.12 115.11 114.41 3ibg h GLN 229 Ca 0.00 -0.69 0.09 0.00 0.06 0.00 0.00 58.65 58.11 3ibg h GLN 229 Cb 0.40 0.18 -0.08 0.00 0.30 0.00 0.00 27.48 28.29 3ibg h GLN 229 CO 0.00 1.28 0.60 0.74 -0.67 0.00 0.00 178.83 180.78 3ibg h PHE 230 N 0.39 1.09 -0.01 2.96 -1.00 0.03 -1.86 116.94 118.54 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 1.57 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 40.78 3ibg h PHE 230 CO 0.10 0.48 0.00 1.63 -1.61 0.00 0.00 178.31 178.92 3ibg n LYS 231 N -4.61 1.09 -3.45 1.51 5.02 -0.84 -4.46 118.16 112.42 3ibg n LYS 231 Ca 0.16 -0.14 -0.43 0.00 -2.02 0.00 0.00 58.31 55.89 3ibg n LYS 231 Cb 0.27 -1.45 -0.10 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.90 6.11 0.52 4.39 2.47 -0.70 -4.89 114.94 120.96 3ibg s ASN 232 Ca 0.42 -0.81 0.18 0.00 0.42 0.00 0.00 52.86 53.07 3ibg s ASN 232 Cb 0.20 -2.16 1.31 0.00 -1.45 0.00 0.00 41.25 39.14 3ibg s ASN 232 CO 0.33 -0.44 2.11 -0.65 -3.72 0.00 0.00 177.10 174.74 3ibg h PRO 233 N 8.62 0.00 0.00 0.43 0.11 -1.83 0.89 132.00 140.23 3ibg h PRO 233 Ca -0.27 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 3ibg h PRO 233 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3ibg h PRO 233 CO 0.72 0.00 -0.22 -0.44 -0.21 0.00 0.00 178.00 177.85 3ibg h ASP 234 N 0.00 0.00 0.00 -2.05 3.32 -1.93 -3.29 116.42 112.48 3ibg h ASP 234 Ca 0.06 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.97 3ibg h ASP 234 Cb 0.25 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3ibg h ASP 234 CO -0.00 0.22 -1.78 0.23 -1.72 0.00 0.00 179.24 176.19 3ibg n MET 235 N -3.95 1.37 -3.94 3.56 2.81 0.08 -3.35 117.12 113.69 3ibg n MET 235 Ca -0.02 -0.05 -0.16 0.00 -1.81 0.00 0.00 57.70 55.66 3ibg n MET 235 Cb 0.30 -1.33 -0.16 0.00 -0.71 0.00 0.00 33.22 31.33 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 0.17 0.05 2.03 2.01 0.08 0.09 115.64 117.53 3ibg s THR 236 Ca -0.06 0.04 -0.01 0.00 0.31 0.00 0.00 61.69 61.97 3ibg s THR 236 Cb 0.06 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 3ibg s THR 236 CO 0.54 0.12 -0.03 0.28 -0.69 0.00 0.00 174.62 174.83 3ibg s THR 237 N 0.72 0.27 -0.07 -0.82 -1.32 -0.78 -4.27 115.64 109.37 3ibg s THR 237 Ca -0.07 -1.78 0.03 0.00 -1.21 0.00 0.00 61.69 58.66 3ibg s THR 237 Cb -0.10 -1.47 -0.02 0.00 -1.51 0.00 0.00 72.50 69.39 3ibg s THR 237 CO -0.01 -0.96 -0.14 0.12 -2.21 0.00 0.00 174.62 171.41 3ibg s PHE 238 N -3.76 2.72 -0.22 9.09 5.36 0.14 -0.90 117.98 130.41 3ibg s PHE 238 Ca 0.06 -0.28 -0.02 0.00 -0.96 0.00 0.00 56.93 55.74 3ibg s PHE 238 Cb 0.07 -1.68 0.01 0.00 -0.34 0.00 0.00 43.02 41.08 3ibg s PHE 238 CO -0.09 0.09 -0.10 0.08 -1.46 0.00 0.00 175.22 173.74 3ibg s VAL 239 N -0.47 2.80 0.11 3.12 1.01 -0.33 -3.98 120.40 122.66 3ibg s VAL 239 Ca 0.06 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 61.03 3ibg s VAL 239 Cb -0.12 -2.30 -0.07 0.00 0.00 0.00 0.00 36.38 33.89 3ibg s VAL 239 CO 0.02 0.39 0.62 0.00 0.00 0.00 0.00 175.10 176.12 3ibg s VAL 241 N -1.17 2.53 0.27 0.00 1.01 0.27 -0.09 120.40 123.23 3ibg s VAL 241 Ca 0.32 -1.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 3ibg s VAL 241 Cb -0.20 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.21 3ibg s VAL 241 CO 0.21 0.47 0.60 0.00 0.00 0.00 0.00 175.10 176.38 3ibg s ILE 243 N -3.93 5.05 -1.13 0.00 1.01 -1.26 -0.88 121.20 120.06 3ibg s ILE 243 Ca 0.17 -1.06 -0.07 0.00 0.00 0.00 0.00 60.65 59.69 3ibg s ILE 243 Cb -0.03 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 3ibg s ILE 243 CO 0.08 -0.30 2.89 0.00 0.00 0.00 0.00 174.94 177.61 3ibg n ALA 244 N -1.23 7.03 -2.66 9.38 0.00 -1.26 -4.25 120.51 127.52 3ibg n ALA 244 Ca -0.09 -3.35 -0.30 0.00 0.00 0.00 0.00 53.44 49.71 3ibg n ALA 244 Cb 0.57 -2.88 -0.10 0.00 0.00 0.00 0.00 19.45 17.04 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 0.56 2.03 -0.06 0.00 0.41 -1.26 -4.78 118.70 115.60 3ibg s GLU 245 Ca 0.64 -2.21 -0.18 0.00 -0.41 0.00 0.00 54.97 52.80 3ibg s GLU 245 Cb 0.23 -1.56 -0.14 0.00 -1.78 0.00 0.00 34.13 30.89 3ibg s GLU 245 CO -0.08 -0.17 0.73 0.35 -0.49 0.00 0.00 175.26 175.60 3ibg h PHE 246 N 1.63 -0.21 -0.68 1.61 3.57 -1.99 -2.15 116.94 118.73 3ibg h PHE 246 Ca -0.44 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.26 3ibg h PHE 246 Cb 1.27 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 40.05 3ibg h PHE 246 CO 1.02 0.19 0.55 -0.07 -2.23 0.00 0.00 178.31 177.76 3ibg h LEU 247 N -0.93 0.00 0.00 0.59 3.38 -1.98 0.29 115.31 116.66 3ibg h LEU 247 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3ibg h LEU 247 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3ibg h LEU 247 CO 0.04 0.00 -0.38 -1.28 0.09 0.00 0.00 178.44 176.91 3ibg h SER 248 N 0.00 0.00 -0.97 -0.43 0.87 -1.85 -2.52 113.55 108.64 3ibg h SER 248 Ca 0.33 -0.85 0.22 0.00 -1.23 0.00 0.00 61.79 60.26 3ibg h SER 248 Cb 1.42 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.29 3ibg h SER 248 CO -0.00 1.14 0.62 -0.07 -0.53 0.00 0.00 176.83 178.00 3ibg h LEU 249 N -1.00 0.50 0.51 2.23 4.07 -0.60 0.44 115.31 121.46 3ibg h LEU 249 Ca -0.10 0.06 -0.03 0.00 0.08 0.00 0.00 57.88 57.89 3ibg h LEU 249 Cb 1.09 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 42.81 3ibg h LEU 249 CO -0.06 0.17 -0.25 0.22 -1.08 0.00 0.00 178.44 177.44 3ibg h TYR 250 N 0.48 -0.64 -0.11 1.13 3.20 -0.56 -2.37 116.97 118.11 3ibg h TYR 250 Ca 0.53 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.41 3ibg h TYR 250 Cb 1.21 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.68 3ibg h TYR 250 CO -0.00 -0.32 0.17 1.49 -1.64 0.00 0.00 178.16 177.85 3ibg h GLU 251 N -1.07 0.00 -0.00 1.82 4.57 -0.95 -1.17 114.58 117.78 3ibg h GLU 251 Ca -0.07 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 3ibg h GLU 251 Cb 0.60 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 3ibg h GLU 251 CO 0.12 0.00 -0.11 1.15 -1.18 0.00 0.00 179.01 178.98 3ibg h THR 252 N 0.00 1.58 0.00 0.32 2.02 -0.86 -1.76 112.91 114.21 3ibg h THR 252 Ca 0.05 -1.85 -0.04 0.00 0.77 0.00 0.00 66.41 65.34 3ibg h THR 252 Cb 0.39 2.79 -0.01 0.00 -1.74 0.00 0.00 68.15 69.58 3ibg h THR 252 CO -0.00 0.49 -0.18 1.05 0.37 0.00 0.00 175.52 177.25 3ibg h GLU 253 N -0.64 0.00 -0.22 6.66 4.11 -0.87 -1.28 114.58 122.35 3ibg h GLU 253 Ca -0.01 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.31 3ibg h GLU 253 Cb 0.87 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 3ibg h GLU 253 CO 0.02 0.18 -0.27 -0.09 0.07 0.00 0.00 179.01 178.92 3ibg h ARG 254 N 0.00 0.56 0.00 1.06 2.43 -1.22 -2.73 114.38 114.48 3ibg h ARG 254 Ca -0.00 -0.32 -0.07 0.00 -0.81 0.00 0.00 59.98 58.78 3ibg h ARG 254 Cb 0.39 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3ibg h ARG 254 CO 0.02 0.91 -0.35 1.98 -1.51 0.00 0.00 179.97 181.02 3ibg h MET 255 N 0.25 0.00 0.00 0.20 4.05 -0.70 -2.90 114.93 115.83 3ibg h MET 255 Ca 0.03 0.00 -0.21 0.00 -0.28 0.00 0.00 59.70 59.24 3ibg h MET 255 Cb 0.83 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.63 3ibg h MET 255 CO 0.06 0.35 -0.90 0.82 0.23 0.00 0.00 176.91 177.48 3ibg h ILE 256 N 0.00 1.46 0.12 1.77 2.04 -1.26 -1.87 117.51 119.77 3ibg h ILE 256 Ca -0.00 -2.56 -0.01 0.00 1.00 0.00 0.00 64.86 63.29 3ibg h ILE 256 Cb 1.11 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 3ibg h ILE 256 CO 0.05 0.75 -0.06 1.56 0.00 0.00 0.00 178.15 180.45 3ibg h GLN 257 N 0.15 -0.16 -0.92 2.37 4.20 -1.36 0.96 115.11 120.35 3ibg h GLN 257 Ca -0.06 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3ibg h GLN 257 Cb 1.53 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 29.30 3ibg h GLN 257 CO 0.14 -0.09 0.58 1.49 -0.67 0.00 0.00 178.83 180.29 3ibg h GLU 258 N -0.18 1.23 -0.29 1.46 4.81 -1.50 0.14 114.58 120.26 3ibg h GLU 258 Ca -0.02 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3ibg h GLU 258 Cb 0.14 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3ibg h GLU 258 CO 0.03 0.84 0.14 -0.07 -0.73 0.00 0.00 179.01 179.22 3ibg h LEU 259 N 1.26 0.37 -1.30 1.64 3.38 -1.10 -1.93 115.31 117.64 3ibg h LEU 259 Ca 0.33 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3ibg h LEU 259 Cb -0.10 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3ibg h LEU 259 CO -0.07 0.38 0.18 0.74 0.09 0.00 0.00 178.44 179.77 3ibg h THR 260 N 0.33 1.18 -0.14 0.22 2.02 -0.12 -0.11 112.91 116.29 3ibg h THR 260 Ca 0.10 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 3ibg h THR 260 Cb 0.11 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3ibg h THR 260 CO -0.01 0.22 -0.00 0.77 0.37 0.00 0.00 175.52 176.86 3ibg h SER 261 N 0.66 0.24 0.42 4.18 4.64 -0.76 -2.25 113.55 120.69 3ibg h SER 261 Ca 0.16 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3ibg h SER 261 Cb 0.14 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3ibg h SER 261 CO -0.02 0.49 0.00 -1.22 -0.87 0.00 0.00 176.83 175.22 3ibg n TYR 262 N -4.77 0.37 -1.97 4.77 4.01 -0.75 -4.87 117.16 113.95 3ibg n TYR 262 Ca -0.05 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 3ibg n TYR 262 Cb 0.21 -0.75 0.00 0.00 -0.31 0.00 0.00 39.34 38.49 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 -0.45 0.59 3.67 2.72 0.00 -0.61 -4.93 105.19 106.19 3ibg n GLY 263 Ca 0.02 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.21 4.98 0.37 -0.61 1.01 -0.15 -4.48 121.20 120.11 3ibg s ILE 264 Ca 0.00 0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.41 3ibg s ILE 264 Cb 0.00 -3.25 -0.09 0.00 0.01 0.00 0.00 42.46 39.13 3ibg s ILE 264 CO 0.00 0.46 1.30 -0.62 0.00 0.00 0.00 174.94 176.08 3ibg s ASP 265 N 0.30 6.53 -0.18 3.58 2.15 -1.26 -4.25 116.67 123.53 3ibg s ASP 265 Ca 0.05 2.66 -0.07 0.00 0.43 0.00 0.00 52.55 55.62 3ibg s ASP 265 Cb -0.12 -2.64 0.08 0.00 -0.30 0.00 0.00 42.92 39.94 3ibg s ASP 265 CO -0.00 -0.70 0.40 0.28 -0.17 0.00 0.00 175.17 174.98 3ibg s THR 266 N -1.21 -0.46 0.00 1.71 -1.32 -1.26 -0.68 115.64 112.41 3ibg s THR 266 Ca 0.53 0.16 0.05 0.00 -1.21 0.00 0.00 61.69 61.23 3ibg s THR 266 Cb -0.39 -0.63 0.09 0.00 -1.51 0.00 0.00 72.50 70.06 3ibg s THR 266 CO 0.50 0.07 0.95 0.00 -2.21 0.00 0.00 174.62 173.93 3ibg n HIS 267 N 5.08 0.00 -3.70 9.09 1.44 -1.26 -4.99 115.22 120.88 3ibg n HIS 267 Ca -0.12 -0.13 -0.12 0.00 -2.01 0.00 0.00 57.72 55.33 3ibg n HIS 267 Cb 0.51 0.01 -0.12 0.00 0.12 0.00 0.00 29.99 30.51 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 -0.70 -0.12 1.59 0.00 -1.26 -0.51 121.76 120.76 3ibg s ALA 268 Ca 0.07 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.19 3ibg s ALA 268 Cb 0.08 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.38 3ibg s ALA 268 CO -0.04 -0.35 -0.22 0.42 0.00 0.00 0.00 175.76 175.58 3ibg s ILE 269 N 1.63 1.98 -0.38 0.00 1.01 0.22 -1.52 121.20 124.14 3ibg s ILE 269 Ca -0.07 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 59.49 3ibg s ILE 269 Cb -0.10 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.63 3ibg s ILE 269 CO -0.10 0.54 0.32 -0.69 0.00 0.00 0.00 174.94 175.01 3ibg s VAL 270 N 0.69 5.21 -0.56 2.92 1.01 0.88 -0.86 120.40 129.69 3ibg s VAL 270 Ca -0.11 -0.33 -0.19 0.00 0.00 0.00 0.00 61.98 61.36 3ibg s VAL 270 Cb -0.16 -3.87 0.09 0.00 0.00 0.00 0.00 36.38 32.44 3ibg s VAL 270 CO 0.01 -0.20 0.67 -0.69 0.00 0.00 0.00 175.10 174.89 3ibg s VAL 271 N 1.85 4.85 0.42 2.92 1.01 0.86 -1.56 120.40 130.75 3ibg s VAL 271 Ca 0.08 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.23 3ibg s VAL 271 Cb -0.18 -4.42 -0.00 0.00 0.00 0.00 0.00 36.38 31.78 3ibg s VAL 271 CO 0.11 -1.01 0.61 0.21 0.00 0.00 0.00 175.10 175.02 3ibg s ASN 272 N 3.31 5.87 -1.49 3.32 2.47 -0.06 -1.67 114.94 126.70 3ibg s ASN 272 Ca 0.12 0.15 -0.04 0.00 0.42 0.00 0.00 52.86 53.52 3ibg s ASN 272 Cb -0.23 -1.45 0.00 0.00 -1.45 0.00 0.00 41.25 38.12 3ibg s ASN 272 CO 0.08 -0.62 0.49 0.00 -3.72 0.00 0.00 177.10 173.33 3ibg n GLN 273 N -1.95 -4.18 -2.82 0.43 6.02 -1.14 -4.34 117.38 109.40 3ibg n GLN 273 Ca 0.01 0.87 -0.34 0.00 -0.01 0.00 0.00 57.00 57.53 3ibg n GLN 273 Cb 0.58 -5.58 -0.07 0.00 1.02 0.00 0.00 30.24 26.19 3ibg n GLN 273 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ibg s LEU 274 N -6.17 4.06 0.14 1.08 1.43 -0.39 -4.39 118.68 114.42 3ibg s LEU 274 Ca 0.24 1.72 -0.15 0.00 -1.03 0.00 0.00 54.13 54.91 3ibg s LEU 274 Cb -0.11 -4.38 -0.07 0.00 0.03 0.00 0.00 46.19 41.66 3ibg s LEU 274 CO 0.30 -0.27 0.56 -0.76 0.23 0.00 0.00 176.35 176.41 3ibg s LEU 275 N -2.86 4.36 0.17 1.79 1.43 -1.26 -1.03 118.68 121.29 3ibg s LEU 275 Ca 0.58 1.12 0.09 0.00 -1.03 0.00 0.00 54.13 54.89 3ibg s LEU 275 Cb -0.12 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 3ibg s LEU 275 CO 0.16 0.12 -0.18 -0.36 0.23 0.00 0.00 176.35 176.32 3ibg s PHE 276 N -1.42 1.85 0.43 0.29 0.08 -1.26 -5.02 117.98 112.92 3ibg s PHE 276 Ca 0.37 -0.47 -0.26 0.00 0.12 0.00 0.00 56.93 56.69 3ibg s PHE 276 Cb -0.16 -0.91 -0.09 0.00 -0.57 0.00 0.00 43.02 41.29 3ibg s PHE 276 CO 0.19 0.35 1.41 -2.14 -0.10 0.00 0.00 175.22 174.93 3ibg s PRO 277 N -2.87 3.83 0.00 0.24 0.02 -1.26 -5.13 135.00 129.83 3ibg s PRO 277 Ca 0.17 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.57 3ibg s PRO 277 Cb -0.05 -2.74 0.00 0.00 0.02 0.00 0.00 34.50 31.73 3ibg s PRO 277 CO 0.07 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.46 3ibg n GLY 282 N 0.59 0.00 3.10 0.52 0.00 -1.26 -5.16 105.19 102.97 3ibg n GLY 282 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 7.83 -0.35 0.00 0.00 4.81 -2.07 -3.28 114.58 121.52 3ibg h GLU 284 Ca -0.16 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 3ibg h GLU 284 Cb 1.04 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.50 3ibg h GLU 284 CO 0.51 -0.00 -0.07 0.37 -0.73 0.00 0.00 179.01 179.10 3ibg h GLN 285 N -0.80 0.00 0.00 1.92 4.15 -2.01 0.36 115.11 118.73 3ibg h GLN 285 Ca -0.04 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 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 0.07 -0.37 0.00 -1.93 0.00 0.00 178.83 176.66 3ibg h ASN 287 N 0.00 0.87 -0.57 0.00 2.35 -0.98 -2.70 115.58 114.56 3ibg h ASN 287 Ca -0.00 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 3ibg h ASN 287 Cb 0.74 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 3ibg h ASN 287 CO 0.05 0.98 0.34 0.00 -1.65 0.00 0.00 177.43 177.15 3ibg h ALA 288 N 1.10 0.72 -0.04 -0.83 0.00 -1.39 -1.13 119.26 117.69 3ibg h ALA 288 Ca 0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3ibg h ALA 288 Cb 0.59 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ibg h ALA 288 CO 0.04 0.21 -0.12 -0.09 0.00 0.00 0.00 179.25 179.29 3ibg h ARG 289 N 0.76 0.07 -0.07 0.00 9.65 -1.42 -2.22 114.38 121.15 3ibg h ARG 289 Ca 0.20 -0.01 -0.23 0.00 -1.10 0.00 0.00 59.98 58.84 3ibg h ARG 289 Cb -0.01 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 28.57 3ibg h ARG 289 CO -0.04 0.19 -0.87 -0.09 2.80 0.00 0.00 179.97 181.96 3ibg h ARG 290 N 0.06 0.63 -0.20 0.20 2.43 -1.06 -2.89 114.38 113.56 3ibg h ARG 290 Ca 0.01 -0.58 0.01 0.00 -0.81 0.00 0.00 59.98 58.62 3ibg h ARG 290 Cb 0.25 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3ibg h ARG 290 CO 0.02 1.19 0.13 0.87 -1.51 0.00 0.00 179.97 180.67 3ibg h LYS 291 N 0.40 0.22 -0.20 0.20 1.57 -0.63 -0.75 116.57 117.38 3ibg h LYS 291 Ca -0.07 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.52 3ibg h LYS 291 Cb 1.49 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.76 3ibg h LYS 291 CO 0.17 0.14 -0.54 0.52 -0.57 0.00 0.00 179.45 179.17 3ibg h MET 292 N 0.23 0.73 -0.84 3.15 2.86 -1.43 -3.01 114.93 116.61 3ibg h MET 292 Ca 0.08 -0.51 0.03 0.00 -2.06 0.00 0.00 59.70 57.24 3ibg h MET 292 Cb 0.04 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.73 3ibg h MET 292 CO -0.02 1.13 0.55 1.96 1.06 0.00 0.00 176.91 181.59 3ibg h GLN 293 N 0.44 1.04 -0.76 1.72 4.20 -1.15 -1.80 115.11 118.81 3ibg h GLN 293 Ca -0.01 -0.06 0.12 0.00 0.06 0.00 0.00 58.65 58.75 3ibg h GLN 293 Cb 1.16 -0.24 -0.08 0.00 0.30 0.00 0.00 27.48 28.62 3ibg h GLN 293 CO 0.12 0.69 0.37 -0.22 -0.67 0.00 0.00 178.83 179.12 3ibg h LYS 294 N 1.08 0.57 0.65 1.46 3.64 -1.14 0.27 116.57 123.10 3ibg h LYS 294 Ca 0.33 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 3ibg h LYS 294 Cb -0.03 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3ibg h LYS 294 CO -0.10 0.38 -0.31 0.87 -2.27 0.00 0.00 179.45 178.01 3ibg h LYS 295 N 0.59 -0.84 -0.57 1.90 1.57 -1.21 0.25 116.57 118.26 3ibg h LYS 295 Ca 0.39 0.06 0.06 0.00 -1.87 0.00 0.00 60.65 59.28 3ibg h LYS 295 Cb 0.49 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 3ibg h LYS 295 CO -0.32 -0.53 0.38 1.88 -0.57 0.00 0.00 179.45 180.29 3ibg h TYR 296 N -0.94 0.57 -0.10 -1.35 0.05 -1.15 -1.74 116.97 112.29 3ibg h TYR 296 Ca -0.09 0.01 -0.17 0.00 0.05 0.00 0.00 58.73 58.54 3ibg h TYR 296 Cb 0.69 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 3ibg h TYR 296 CO -0.02 0.31 -0.66 1.25 -1.05 0.00 0.00 178.16 178.00 3ibg h LEU 297 N 0.57 0.48 -0.49 3.88 5.85 -0.25 -1.45 115.31 123.91 3ibg h LEU 297 Ca 0.24 -0.29 -0.11 0.00 0.84 0.00 0.00 57.88 58.57 3ibg h LEU 297 Cb 0.24 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3ibg h LEU 297 CO -0.07 1.00 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.58 3ibg h GLU 298 N 0.30 0.95 -0.08 1.25 5.08 -0.34 -0.77 114.58 120.96 3ibg h GLU 298 Ca -0.02 -0.36 0.03 0.00 -1.00 0.00 0.00 59.36 58.01 3ibg h GLU 298 Cb 1.21 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 3ibg h GLU 298 CO 0.11 1.03 -0.15 1.96 -1.00 0.00 0.00 179.01 180.96 3ibg h GLN 299 N 0.80 -0.21 -0.10 2.33 4.20 -1.15 -1.25 115.11 119.74 3ibg h GLN 299 Ca 0.12 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.87 3ibg h GLN 299 Cb 0.68 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 3ibg h GLN 299 CO 0.05 -0.14 -0.06 0.82 -0.67 0.00 0.00 178.83 178.83 3ibg h ILE 300 N -0.21 0.80 -0.59 2.54 2.04 -1.11 0.16 117.51 121.14 3ibg h ILE 300 Ca 0.08 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.06 3ibg h ILE 300 Cb 0.32 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3ibg h ILE 300 CO -0.21 0.00 0.41 -0.33 0.00 0.00 0.00 178.15 178.02 3ibg h GLU 301 N -0.07 0.26 0.01 2.37 4.39 -0.92 -0.50 114.58 120.13 3ibg h GLU 301 Ca 0.06 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 3ibg h GLU 301 Cb 0.16 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3ibg h GLU 301 CO -0.14 0.17 -0.00 1.49 -1.16 0.00 0.00 179.01 179.36 3ibg h GLU 302 N 0.27 -0.01 -0.59 2.33 4.81 0.03 -3.19 114.58 118.23 3ibg h GLU 302 Ca 0.28 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 3ibg h GLU 302 Cb 0.75 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 3ibg h GLU 302 CO -0.06 0.66 0.38 -0.07 -0.73 0.00 0.00 179.01 179.18 3ibg h LEU 303 N -0.99 0.63 -5.87 1.64 3.38 -0.56 -3.23 115.31 110.33 3ibg h LEU 303 Ca -0.00 -0.01 -0.70 0.00 0.09 0.00 0.00 57.88 57.26 3ibg h LEU 303 Cb 0.67 -0.15 -0.34 0.00 0.09 0.00 0.00 40.66 40.93 3ibg h LEU 303 CO 0.00 0.45 0.20 -1.22 0.09 0.00 0.00 178.44 177.96 3ibg n TYR 304 N -4.71 3.36 0.17 1.13 4.01 -0.21 -4.72 117.16 116.19 3ibg n TYR 304 Ca 0.05 -3.28 0.02 0.00 -0.16 0.00 0.00 57.90 54.53 3ibg n TYR 304 Cb 0.05 -0.86 0.31 0.00 -0.31 0.00 0.00 39.34 38.53 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 3.74 0.00 -0.00 -0.72 4.81 -1.57 -2.72 114.58 118.11 3ibg h GLU 305 Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 3ibg h GLU 305 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3ibg h GLU 305 CO 1.01 0.44 -0.01 -0.25 -0.73 0.00 0.00 179.01 179.48 3ibg n ASP 306 N -3.93 0.40 -4.89 1.04 8.00 -1.26 -4.77 116.55 111.15 3ibg n ASP 306 Ca -0.01 -1.07 -0.25 0.00 0.71 0.00 0.00 54.79 54.17 3ibg n ASP 306 Cb 0.48 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.53 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 -2.05 3.33 -0.34 1.24 0.08 -1.03 -4.93 117.98 114.28 3ibg s PHE 307 Ca 0.44 0.03 -0.29 0.00 0.12 0.00 0.00 56.93 57.23 3ibg s PHE 307 Cb 0.22 -1.57 0.02 0.00 -0.57 0.00 0.00 43.02 41.11 3ibg s PHE 307 CO 0.37 0.51 1.09 -0.80 -0.10 0.00 0.00 175.22 176.29 3ibg s ASN 308 N -3.36 6.89 -0.62 1.36 0.01 0.34 -4.81 114.94 114.74 3ibg s ASN 308 Ca 0.33 0.98 -0.11 0.00 -0.71 0.00 0.00 52.86 53.35 3ibg s ASN 308 Cb -0.10 -2.54 0.16 0.00 0.41 0.00 0.00 41.25 39.17 3ibg s ASN 308 CO 0.27 -0.94 0.52 -0.69 -1.51 0.00 0.00 177.10 174.75 3ibg s VAL 309 N 3.78 4.73 -0.08 1.60 1.01 -1.26 -0.61 120.40 129.57 3ibg s VAL 309 Ca 0.46 -2.15 -0.27 0.00 0.00 0.00 0.00 61.98 60.01 3ibg s VAL 309 Cb -0.12 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 3ibg s VAL 309 CO 0.18 -0.89 0.90 -0.69 0.00 0.00 0.00 175.10 174.59 3ibg s VAL 310 N 0.79 4.88 -0.23 2.92 1.01 -0.04 -4.50 120.40 125.22 3ibg s VAL 310 Ca 0.11 1.83 -0.08 0.00 0.00 0.00 0.00 61.98 63.84 3ibg s VAL 310 Cb -0.21 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 3ibg s VAL 310 CO -0.03 0.11 0.09 -0.13 0.00 0.00 0.00 175.10 175.13 3ibg s ARG 311 N 1.50 3.79 -0.04 2.72 0.52 -1.26 -0.10 118.95 126.08 3ibg s ARG 311 Ca 0.45 -0.41 0.05 0.00 -0.52 0.00 0.00 55.73 55.30 3ibg s ARG 311 Cb -0.19 -3.34 -0.02 0.00 0.52 0.00 0.00 34.95 31.92 3ibg s ARG 311 CO 0.20 -0.05 -0.20 -1.64 0.02 0.00 0.00 175.30 173.63 3ibg s MET 312 N 1.28 2.41 0.43 3.54 -1.94 -0.67 -4.45 119.30 119.89 3ibg s MET 312 Ca 0.05 -0.80 -0.20 0.00 -1.71 0.00 0.00 55.69 53.03 3ibg s MET 312 Cb -0.15 -2.25 -0.11 0.00 2.01 0.00 0.00 34.83 34.34 3ibg s MET 312 CO 0.04 0.55 0.93 -1.25 -0.01 0.00 0.00 175.02 175.29 3ibg s PRO 313 N -0.57 4.18 -0.05 2.03 0.05 -1.26 -1.27 135.00 138.11 3ibg s PRO 313 Ca 0.08 1.06 -0.30 0.00 0.05 0.00 0.00 61.00 61.89 3ibg s PRO 313 Cb -0.11 -2.20 -0.04 0.00 0.05 0.00 0.00 34.50 32.20 3ibg s PRO 313 CO 0.01 -0.03 1.36 -1.17 0.05 0.00 0.00 177.00 177.22 3ibg s LEU 314 N -3.23 4.28 0.40 -3.56 2.96 -0.20 -4.32 118.68 115.02 3ibg s LEU 314 Ca 0.61 1.99 -0.01 0.00 -0.22 0.00 0.00 54.13 56.50 3ibg s LEU 314 Cb -0.09 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.02 3ibg s LEU 314 CO 0.15 -0.72 0.64 -0.76 -1.32 0.00 0.00 176.35 174.33 3ibg s LEU 315 N 2.75 3.85 0.37 -0.68 1.43 -1.26 -4.96 118.68 120.17 3ibg s LEU 315 Ca 0.62 0.58 0.19 0.00 -1.03 0.00 0.00 54.13 54.49 3ibg s LEU 315 Cb -0.28 -3.47 0.21 0.00 0.03 0.00 0.00 46.19 42.68 3ibg s LEU 315 CO 0.24 -0.43 1.53 0.58 0.23 0.00 0.00 176.35 178.49 3ibg h VAL 316 N 0.54 0.38 -3.84 -1.59 2.07 -2.04 -3.45 116.25 108.32 3ibg h VAL 316 Ca -0.48 -1.53 -0.55 0.00 0.82 0.00 0.00 66.70 64.95 3ibg h VAL 316 Cb 1.22 2.18 -0.21 0.00 -1.52 0.00 0.00 31.29 32.95 3ibg h VAL 316 CO 0.61 0.21 -0.82 -1.61 0.02 0.00 0.00 177.57 175.98 3ibg s GLU 317 N -3.10 1.15 0.35 1.57 2.02 -1.26 -5.11 118.70 114.32 3ibg s GLU 317 Ca 0.06 -1.20 -0.26 0.00 0.02 0.00 0.00 54.97 53.59 3ibg s GLU 317 Cb 0.06 -1.39 -0.13 0.00 0.10 0.00 0.00 34.13 32.78 3ibg s GLU 317 CO 0.70 0.32 0.88 0.39 0.02 0.00 0.00 175.26 177.58 3ibg n GLU 318 N 0.97 1.11 -2.52 1.61 1.02 -1.26 -4.86 120.64 116.71 3ibg n GLU 318 Ca -0.19 0.40 -0.43 0.00 -0.02 0.00 0.00 57.16 56.92 3ibg n GLU 318 Cb 0.54 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 -0.25 4.14 -0.06 2.62 0.31 -1.26 -4.66 118.33 119.17 3ibg n VAL 319 Ca 0.10 -4.30 -0.10 0.00 -0.01 0.00 0.00 64.34 60.03 3ibg n VAL 319 Cb 0.35 -2.43 -0.04 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 5.47 0.25 -0.74 5.55 0.63 -1.26 -4.69 116.66 121.86 3ibg n ARG 320 Ca 0.42 0.09 -0.32 0.00 -0.92 0.00 0.00 57.85 57.11 3ibg n ARG 320 Cb 0.40 -1.03 0.14 0.00 0.45 0.00 0.00 32.46 32.42 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 2.58 -1.48 0.24 5.14 0.00 -1.26 -4.44 105.19 105.98 3ibg n GLY 321 Ca -0.21 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.72 0.80 -0.27 1.61 3.64 -1.89 -0.63 116.57 118.11 3ibg h LYS 322 Ca -0.44 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 58.68 3ibg h LYS 322 Cb 1.28 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 3ibg h LYS 322 CO 0.37 0.76 -0.16 1.05 -2.27 0.00 0.00 179.45 179.20 3ibg h GLU 323 N 0.70 0.48 -0.14 1.90 4.11 -1.99 -0.98 114.58 118.64 3ibg h GLU 323 Ca 0.16 -0.15 -0.15 0.00 0.07 0.00 0.00 59.36 59.29 3ibg h GLU 323 Cb 0.31 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.52 3ibg h GLU 323 CO -0.00 0.63 -0.51 0.87 0.07 0.00 0.00 179.01 180.06 3ibg h LYS 324 N 0.44 0.60 -0.79 1.06 1.57 -1.88 -2.28 116.57 115.29 3ibg h LYS 324 Ca 0.08 -0.45 0.02 0.00 -1.87 0.00 0.00 60.65 58.42 3ibg h LYS 324 Cb 0.54 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.89 3ibg h LYS 324 CO 0.03 1.08 0.52 -0.07 -0.57 0.00 0.00 179.45 180.44 3ibg h LEU 325 N 0.25 0.87 0.28 2.94 3.38 -0.87 -0.16 115.31 122.01 3ibg h LEU 325 Ca -0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3ibg h LEU 325 Cb 1.14 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3ibg h LEU 325 CO 0.11 0.62 -0.13 -0.08 0.09 0.00 0.00 178.44 179.05 3ibg h GLU 326 N 1.03 -0.36 -0.97 1.13 4.57 -1.09 0.24 114.58 119.12 3ibg h GLU 326 Ca 0.30 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.61 3ibg h GLU 326 Cb -0.05 0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 28.54 3ibg h GLU 326 CO -0.07 -0.08 0.61 -0.22 -1.18 0.00 0.00 179.01 178.06 3ibg h LYS 327 N -0.61 0.97 -0.38 1.92 1.63 -1.24 -1.73 116.57 117.14 3ibg h LYS 327 Ca -0.04 -0.06 -0.13 0.00 -0.85 0.00 0.00 60.65 59.57 3ibg h LYS 327 Cb 0.44 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 3ibg h LYS 327 CO 0.06 0.64 -0.28 0.35 -3.45 0.00 0.00 179.45 176.78 3ibg h PHE 328 N 1.00 1.01 0.00 1.91 3.57 -0.86 -3.17 116.94 120.41 3ibg h PHE 328 Ca 0.47 -0.28 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 3ibg h PHE 328 Cb 0.39 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 3ibg h PHE 328 CO -0.01 1.07 -0.15 0.66 -2.23 0.00 0.00 178.31 177.64 3ibg h SER 329 N 0.66 0.00 -0.17 0.41 4.64 0.31 -2.47 113.55 116.93 3ibg h SER 329 Ca 0.07 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 3ibg h SER 329 Cb 0.85 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 3ibg h SER 329 CO 0.07 0.15 0.05 -0.33 -0.87 0.00 0.00 176.83 175.91 3ibg h GLU 330 N 0.00 0.36 0.00 4.77 4.39 -1.32 -1.27 114.58 121.51 3ibg h GLU 330 Ca -0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3ibg h GLU 330 Cb 0.33 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3ibg h GLU 330 CO 0.02 0.35 0.00 -1.33 -1.16 0.00 0.00 179.01 176.89 3ibg n MET 331 N -4.38 0.34 0.00 2.33 2.81 -0.93 -0.91 117.12 116.38 3ibg n MET 331 Ca 0.01 0.09 0.14 0.00 -1.81 0.00 0.00 57.70 56.12 3ibg n MET 331 Cb 0.17 -1.50 0.52 0.00 -0.71 0.00 0.00 33.22 31.70 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 -1.21 0.50 0.00 4.03 4.77 -0.48 -4.07 117.00 120.54 3ibg n LEU 332 Ca 0.10 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3ibg n LEU 332 Cb 0.12 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3ibg n LEU 332 CO 0.13 0.10 -0.19 0.55 -1.33 0.00 0.00 177.39 176.64 3ibg n VAL 333 N -1.06 0.00 -3.78 4.08 3.14 -0.70 -1.09 118.33 118.92 3ibg n VAL 333 Ca 0.12 -0.06 -0.30 0.00 -2.96 0.00 0.00 64.34 61.14 3ibg n VAL 333 Cb 0.30 0.44 -0.15 0.00 -1.06 0.00 0.00 33.84 33.37 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 -0.89 1.92 0.03 1.45 3.76 -0.09 -4.86 115.29 116.61 3ibg s HIS 334 Ca 0.00 -1.78 -0.39 0.00 -0.15 0.00 0.00 55.06 52.75 3ibg s HIS 334 Cb 0.00 -1.76 -0.18 0.00 1.11 0.00 0.00 32.58 31.75 3ibg s HIS 334 CO 0.00 -0.85 1.20 -2.30 -0.85 0.00 0.00 174.74 171.95 3ibg n PRO 335 N 4.79 0.53 -2.09 8.40 -0.02 -1.26 -4.30 135.00 141.05 3ibg n PRO 335 Ca -0.03 0.19 -0.37 0.00 -2.02 0.00 0.00 63.50 61.27 3ibg n PRO 335 Cb 0.43 -1.76 0.01 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 0.28 2.65 -0.07 6.00 5.04 -1.26 -5.05 117.35 124.94 3ibg s TYR 336 Ca 0.88 1.48 -0.05 0.00 -2.44 0.00 0.00 57.07 56.95 3ibg s TYR 336 Cb -1.13 -3.52 0.03 0.00 0.35 0.00 0.00 41.96 37.69 3ibg s TYR 336 CO 0.53 -2.01 0.17 0.14 -1.34 0.00 0.00 175.55 173.03 3ibg s VAL 337 N -1.47 -0.02 0.00 3.14 -7.23 -1.26 -5.11 120.40 108.45 3ibg s VAL 337 Ca 0.67 0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.92 3ibg s VAL 337 Cb -0.32 -0.25 0.00 0.00 0.56 0.00 0.00 36.38 36.36 3ibg s VAL 337 CO 0.39 0.03 0.00 -2.65 -0.31 0.00 0.00 175.10 172.56