#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ieb s LYS 3 N 0.00 0.54 0.67 1.09 2.20 -1.26 -4.59 119.74 118.40 3ieb s LYS 3 Ca 0.00 0.78 -0.09 0.00 -0.36 0.00 0.00 55.97 56.31 3ieb s LYS 3 Cb 0.00 0.17 0.14 0.00 -1.51 0.00 0.00 37.83 36.63 3ieb s LYS 3 CO 0.00 -0.11 0.31 -2.30 -0.36 0.00 0.00 175.35 172.89 3ieb n PRO 4 N 3.42 -1.20 -4.00 4.03 -0.02 -1.24 -4.93 135.00 131.06 3ieb n PRO 4 Ca -0.17 -0.52 -0.21 0.00 -2.02 0.00 0.00 63.50 60.58 3ieb n PRO 4 Cb 0.56 -0.97 -0.17 0.00 -0.02 0.00 0.00 33.50 32.90 3ieb n PRO 4 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ieb s ILE 6 N -1.53 0.49 -0.07 4.25 -1.09 -1.26 -4.88 121.20 117.12 3ieb s ILE 6 Ca 0.24 -0.03 0.05 0.00 -2.23 0.00 0.00 60.65 58.67 3ieb s ILE 6 Cb -0.04 -0.57 -0.00 0.00 -1.58 0.00 0.00 42.46 40.27 3ieb s ILE 6 CO 0.20 0.24 -0.22 -1.58 -1.23 0.00 0.00 174.94 172.35 3ieb s GLN 7 N 1.34 2.50 -0.13 2.79 0.74 -0.25 -0.64 119.66 126.01 3ieb s GLN 7 Ca -0.04 -0.79 -0.06 0.00 0.05 0.00 0.00 55.36 54.52 3ieb s GLN 7 Cb -0.13 -2.02 -0.04 0.00 1.10 0.00 0.00 33.01 31.92 3ieb s GLN 7 CO -0.02 0.24 0.09 -1.50 -0.55 0.00 0.00 175.29 173.55 3ieb s ILE 8 N 0.15 5.06 -0.34 -2.34 2.07 -0.67 -1.44 121.20 123.69 3ieb s ILE 8 Ca -0.10 0.05 -0.13 0.00 -1.41 0.00 0.00 60.65 59.05 3ieb s ILE 8 Cb -0.15 -3.21 -0.02 0.00 0.13 0.00 0.00 42.46 39.21 3ieb s ILE 8 CO 0.05 0.57 0.25 0.00 -1.91 0.00 0.00 174.94 173.90 3ieb s ALA 9 N -0.61 3.51 -0.48 1.50 0.00 -0.36 -1.20 121.76 124.11 3ieb s ALA 9 Ca 0.12 -1.36 -0.24 0.00 0.00 0.00 0.00 51.96 50.48 3ieb s ALA 9 Cb -0.12 -2.67 0.03 0.00 0.00 0.00 0.00 23.12 20.36 3ieb s ALA 9 CO 0.02 -0.96 0.84 -0.51 0.00 0.00 0.00 175.76 175.15 3ieb s LEU 10 N 1.74 4.20 -0.23 0.00 1.43 0.04 -4.61 118.68 121.25 3ieb s LEU 10 Ca 0.06 -0.17 0.11 0.00 -1.03 0.00 0.00 54.13 53.11 3ieb s LEU 10 Cb -0.17 -2.95 0.45 0.00 0.03 0.00 0.00 46.19 43.55 3ieb s LEU 10 CO 0.11 -1.02 1.32 0.47 0.23 0.00 0.00 176.35 177.45 3ieb n ASP 11 N 6.97 2.23 -4.75 2.29 8.00 -1.26 -0.23 116.55 129.80 3ieb n ASP 11 Ca 0.02 -3.70 -0.33 0.00 0.71 0.00 0.00 54.79 51.49 3ieb n ASP 11 Cb 0.48 -0.56 0.07 0.00 -0.02 0.00 0.00 41.12 41.09 3ieb n ASP 11 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3ieb s GLN 12 N -3.17 2.44 0.00 -1.24 1.11 -1.26 -4.60 119.66 112.94 3ieb s GLN 12 Ca 0.40 1.50 0.22 0.00 0.01 0.00 0.00 55.36 57.49 3ieb s GLN 12 Cb 0.37 -1.90 0.50 0.00 -1.01 0.00 0.00 33.01 30.98 3ieb s GLN 12 CO -0.02 -1.55 1.44 0.25 0.01 0.00 0.00 175.29 175.42 3ieb n THR 13 N -2.70 0.54 -3.76 -0.19 -2.24 -1.26 -3.47 114.28 101.20 3ieb n THR 13 Ca 0.11 -0.72 -0.12 0.00 -2.27 0.00 0.00 64.05 61.06 3ieb n THR 13 Cb 0.51 0.79 -0.07 0.00 -2.10 0.00 0.00 70.33 69.46 3ieb n THR 13 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ieb s ASN 14 N -1.40 -0.13 0.27 3.42 4.22 -1.26 -4.85 114.94 115.22 3ieb s ASN 14 Ca 0.39 -0.18 0.00 0.00 -2.14 0.00 0.00 52.86 50.94 3ieb s ASN 14 Cb 0.22 0.35 0.37 0.00 1.28 0.00 0.00 41.25 43.47 3ieb s ASN 14 CO 0.31 -0.60 1.73 0.25 -2.04 0.00 0.00 177.10 176.74 3ieb h LEU 15 N 3.26 0.60 -0.35 3.54 5.85 -1.93 -2.82 115.31 123.46 3ieb h LEU 15 Ca -0.32 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.26 3ieb h LEU 15 Cb 1.20 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 3ieb h LEU 15 CO 0.46 0.79 0.14 0.74 -0.34 0.00 0.00 178.44 180.22 3ieb h THR 16 N 0.55 0.92 -0.44 1.05 2.02 -1.99 0.26 112.91 115.28 3ieb h THR 16 Ca 0.09 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 3ieb h THR 16 Cb 0.60 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3ieb h THR 16 CO 0.04 0.05 -0.04 0.44 0.37 0.00 0.00 175.52 176.39 3ieb h ASP 17 N 0.30 0.80 -0.69 4.18 3.32 -1.98 -1.71 116.42 120.63 3ieb h ASP 17 Ca 0.16 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3ieb h ASP 17 Cb 0.12 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 3ieb h ASP 17 CO -0.15 0.94 0.44 0.00 -1.72 0.00 0.00 179.24 178.75 3ieb h ALA 18 N 0.89 0.88 -0.74 3.45 0.00 -1.16 -0.49 119.26 122.09 3ieb h ALA 18 Ca 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ieb h ALA 18 Cb 0.55 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3ieb h ALA 18 CO 0.03 0.32 0.38 0.28 0.00 0.00 0.00 179.25 180.26 3ieb h VAL 19 N 0.94 1.23 -0.20 0.00 2.07 -0.24 -0.82 116.25 119.22 3ieb h VAL 19 Ca 0.25 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 3ieb h VAL 19 Cb -0.08 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 3ieb h VAL 19 CO -0.05 0.26 -0.01 0.00 0.02 0.00 0.00 177.57 177.80 3ieb h ALA 20 N 1.19 0.28 0.00 1.67 0.00 -0.82 0.16 119.26 121.73 3ieb h ALA 20 Ca 0.26 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ieb h ALA 20 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ieb h ALA 20 CO -0.04 0.00 -0.00 0.28 0.00 0.00 0.00 179.25 179.50 3ieb h VAL 21 N 0.12 1.02 -0.73 0.00 2.07 -0.95 -1.19 116.25 116.59 3ieb h VAL 21 Ca 0.06 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.64 3ieb h VAL 21 Cb 0.41 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.15 3ieb h VAL 21 CO 0.01 0.01 0.36 0.00 0.02 0.00 0.00 177.57 177.97 3ieb h ALA 22 N 0.98 1.03 -0.09 1.67 0.00 -1.01 0.24 119.26 122.08 3ieb h ALA 22 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ieb h ALA 22 Cb 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ieb h ALA 22 CO 0.00 -0.07 0.04 1.03 0.00 0.00 0.00 179.25 180.25 3ieb h SER 23 N 0.59 0.06 -0.98 0.00 0.87 -0.68 0.43 113.55 113.84 3ieb h SER 23 Ca 0.37 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.94 3ieb h SER 23 Cb 0.43 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.34 3ieb h SER 23 CO -0.30 0.05 0.65 0.78 -0.53 0.00 0.00 176.83 177.48 3ieb h ASN 24 N 0.09 1.12 0.16 6.23 -0.26 -0.03 -3.31 115.58 119.58 3ieb h ASN 24 Ca 0.03 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3ieb h ASN 24 Cb 0.00 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 36.98 3ieb h ASN 24 CO -0.02 0.81 -1.19 1.33 -1.06 0.00 0.00 177.43 177.30 3ieb n VAL 25 N -4.40 0.05 -0.28 2.81 0.24 -0.04 -4.54 118.33 112.16 3ieb n VAL 25 Ca 0.11 -0.18 0.10 0.00 -2.04 0.00 0.00 64.34 62.34 3ieb n VAL 25 Cb 0.01 0.51 0.25 0.00 -1.47 0.00 0.00 33.84 33.14 3ieb n VAL 25 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ieb h ALA 26 N 2.65 1.14 0.00 2.33 0.00 -1.00 -0.32 119.26 124.06 3ieb h ALA 26 Ca 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ieb h ALA 26 Cb 0.68 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3ieb h ALA 26 CO 0.00 -0.43 -0.01 0.66 0.00 0.00 0.00 179.25 179.47 3ieb h SER 27 N 0.21 0.00 0.00 0.00 4.64 -1.82 -3.05 113.55 113.53 3ieb h SER 27 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 3ieb h SER 27 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3ieb h SER 27 CO -0.62 0.01 -0.04 0.00 -0.87 0.00 0.00 176.83 175.31 3ieb n TYR 28 N -3.12 0.00 -4.84 4.77 0.18 -0.17 -5.03 117.16 108.95 3ieb n TYR 28 Ca -0.01 -0.50 -0.31 0.00 1.88 0.00 0.00 57.90 58.96 3ieb n TYR 28 Cb 0.20 -0.07 -0.14 0.00 -0.38 0.00 0.00 39.34 38.96 3ieb n TYR 28 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3ieb s VAL 29 N -1.22 2.62 -0.07 -3.48 1.01 -0.94 -4.95 120.40 113.36 3ieb s VAL 29 Ca 0.08 -1.13 0.07 0.00 0.00 0.00 0.00 61.98 61.00 3ieb s VAL 29 Cb 0.07 -2.05 -0.24 0.00 0.00 0.00 0.00 36.38 34.16 3ieb s VAL 29 CO 0.01 0.42 0.56 0.47 0.00 0.00 0.00 175.10 176.57 3ieb n ASP 30 N 1.86 1.21 -4.02 3.32 8.00 0.18 -4.85 116.55 122.24 3ieb n ASP 30 Ca -0.16 0.35 -0.22 0.00 0.71 0.00 0.00 54.79 55.46 3ieb n ASP 30 Cb 0.52 -0.26 -0.16 0.00 -0.02 0.00 0.00 41.12 41.20 3ieb n ASP 30 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ieb s VAL 31 N -2.58 0.97 -0.19 2.53 1.01 -0.96 -3.25 120.40 117.92 3ieb s VAL 31 Ca -0.10 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 3ieb s VAL 31 Cb 0.08 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 3ieb s VAL 31 CO 0.81 0.30 -0.07 -0.63 0.00 0.00 0.00 175.10 175.50 3ieb s ILE 32 N 0.31 3.22 -0.20 2.22 1.01 -0.37 -1.68 121.20 125.71 3ieb s ILE 32 Ca -0.06 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 3ieb s ILE 32 Cb -0.11 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.90 3ieb s ILE 32 CO 0.01 0.46 -0.00 -0.70 0.00 0.00 0.00 174.94 174.71 3ieb s GLU 33 N 1.17 3.61 -0.57 2.79 2.12 -0.34 -1.18 118.70 126.30 3ieb s GLU 33 Ca 0.02 -0.52 -0.28 0.00 0.36 0.00 0.00 54.97 54.55 3ieb s GLU 33 Cb -0.14 -3.08 0.02 0.00 0.26 0.00 0.00 34.13 31.19 3ieb s GLU 33 CO -0.02 0.01 1.39 0.08 -0.54 0.00 0.00 175.26 176.18 3ieb s VAL 34 N 1.00 3.81 0.78 3.70 1.01 0.44 -0.78 120.40 130.36 3ieb s VAL 34 Ca 0.02 0.68 -0.11 0.00 0.00 0.00 0.00 61.98 62.57 3ieb s VAL 34 Cb -0.14 -4.48 0.06 0.00 0.00 0.00 0.00 36.38 31.82 3ieb s VAL 34 CO 0.02 -1.21 1.09 -0.83 0.00 0.00 0.00 175.10 174.17 3ieb s GLY 35 N 4.27 1.67 0.53 4.51 0.00 0.69 -1.03 107.32 117.95 3ieb s GLY 35 Ca 0.51 0.19 0.22 0.00 0.00 0.00 0.00 44.72 45.64 3ieb s GLY 35 CO 0.25 0.55 2.13 0.00 0.00 0.00 0.00 173.10 176.03 3ieb h THR 36 N -1.13 0.79 -0.56 0.90 1.03 -1.81 0.02 112.91 112.15 3ieb h THR 36 Ca -0.44 -0.26 -0.10 0.00 -0.01 0.00 0.00 66.41 65.60 3ieb h THR 36 Cb 1.24 1.15 -0.02 0.00 -1.07 0.00 0.00 68.15 69.45 3ieb h THR 36 CO 0.53 0.07 -0.03 0.40 -0.01 0.00 0.00 175.52 176.48 3ieb h ILE 37 N 0.00 1.27 -0.19 0.00 2.04 -1.87 -0.80 117.51 117.96 3ieb h ILE 37 Ca -0.00 -1.16 -0.16 0.00 1.00 0.00 0.00 64.86 64.54 3ieb h ILE 37 Cb 0.15 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3ieb h ILE 37 CO 0.01 0.42 -0.52 0.25 0.00 0.00 0.00 178.15 178.30 3ieb h LEU 38 N 0.89 0.78 -0.64 1.44 5.85 -1.28 -1.15 115.31 121.19 3ieb h LEU 38 Ca 0.16 -0.58 0.04 0.00 0.84 0.00 0.00 57.88 58.33 3ieb h LEU 38 Cb 0.58 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3ieb h LEU 38 CO 0.03 1.22 0.39 0.00 -0.34 0.00 0.00 178.44 179.74 3ieb h ALA 39 N 0.58 0.84 -0.09 1.25 0.00 -0.82 -1.29 119.26 119.72 3ieb h ALA 39 Ca -0.01 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 3ieb h ALA 39 Cb 1.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3ieb h ALA 39 CO 0.11 0.12 -0.69 0.74 0.00 0.00 0.00 179.25 179.53 3ieb h PHE 40 N 0.75 0.55 -0.35 0.00 0.04 -1.17 0.70 116.94 117.47 3ieb h PHE 40 Ca 0.27 -0.23 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3ieb h PHE 40 Cb 0.06 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 3ieb h PHE 40 CO -0.06 0.98 0.17 0.00 -0.60 0.00 0.00 178.31 178.80 3ieb h ALA 41 N 0.96 0.45 0.00 2.45 0.00 -0.86 -3.38 119.26 118.88 3ieb h ALA 41 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ieb h ALA 41 Cb 1.26 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3ieb h ALA 41 CO 0.12 0.01 -0.44 0.39 0.00 0.00 0.00 179.25 179.33 3ieb n GLU 42 N -4.74 4.26 0.00 0.00 -0.58 -0.52 -5.04 120.64 114.02 3ieb n GLU 42 Ca -0.01 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 3ieb n GLU 42 Cb 0.11 -0.76 0.00 0.00 -0.57 0.00 0.00 31.44 30.21 3ieb n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ieb n GLY 43 N 1.45 1.08 4.59 0.62 0.00 0.24 -4.40 105.19 108.79 3ieb n GLY 43 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 3ieb n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ieb n LYS 45 N 0.00 0.00 -0.17 1.61 4.81 -1.26 -4.18 118.16 118.97 3ieb n LYS 45 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 3ieb n LYS 45 Cb 0.00 -1.07 0.00 0.00 0.02 0.00 0.00 35.03 33.98 3ieb n LYS 45 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ieb h ALA 46 N 0.00 0.69 -0.19 3.14 0.00 -1.92 -0.74 119.26 120.25 3ieb h ALA 46 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 3ieb h ALA 46 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3ieb h ALA 46 CO 0.00 0.55 -0.08 0.28 0.00 0.00 0.00 179.25 180.00 3ieb h VAL 47 N 0.79 1.30 -0.03 0.00 2.07 -1.89 -2.08 116.25 116.43 3ieb h VAL 47 Ca 0.14 -1.12 -0.15 0.00 0.82 0.00 0.00 66.70 66.39 3ieb h VAL 47 Cb 0.59 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 3ieb h VAL 47 CO 0.04 0.34 -0.66 0.77 0.02 0.00 0.00 177.57 178.07 3ieb h SER 48 N 0.07 0.14 0.02 0.57 4.64 -1.48 -0.10 113.55 117.43 3ieb h SER 48 Ca 0.04 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3ieb h SER 48 Cb 0.55 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3ieb h SER 48 CO 0.03 0.76 -0.01 0.74 -0.87 0.00 0.00 176.83 177.48 3ieb h THR 49 N 0.09 1.18 -0.05 2.95 2.02 -1.13 -1.57 112.91 116.39 3ieb h THR 49 Ca -0.01 -0.61 -0.10 0.00 0.77 0.00 0.00 66.41 66.46 3ieb h THR 49 Cb 1.18 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 3ieb h THR 49 CO 0.09 0.16 -0.43 -0.07 0.37 0.00 0.00 175.52 175.64 3ieb h LEU 50 N -0.29 0.12 -0.56 2.58 3.38 -1.25 -0.39 115.31 118.90 3ieb h LEU 50 Ca -0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3ieb h LEU 50 Cb 0.28 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3ieb h LEU 50 CO 0.00 0.54 0.34 -0.09 0.09 0.00 0.00 178.44 179.33 3ieb h ARG 51 N 0.10 0.76 -0.22 1.13 9.65 -0.88 0.79 114.38 125.70 3ieb h ARG 51 Ca 0.01 -0.06 -0.06 0.00 -1.10 0.00 0.00 59.98 58.76 3ieb h ARG 51 Cb 0.80 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.21 3ieb h ARG 51 CO 0.06 0.54 -0.09 1.25 2.80 0.00 0.00 179.97 184.53 3ieb h HIS 52 N 0.76 0.52 0.00 2.20 2.76 -0.67 -2.72 115.15 118.00 3ieb h HIS 52 Ca 0.20 -0.12 -0.06 0.00 -2.20 0.00 0.00 60.37 58.19 3ieb h HIS 52 Cb -0.03 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 3ieb h HIS 52 CO -0.03 0.72 -0.27 -0.91 -1.30 0.00 0.00 177.93 176.14 3ieb h ASN 53 N 0.17 0.00 -2.07 3.26 2.35 -0.94 -3.35 115.58 115.00 3ieb h ASN 53 Ca 0.05 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.23 3ieb h ASN 53 Cb 0.57 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.54 3ieb h ASN 53 CO 0.03 0.27 -0.92 1.41 -1.65 0.00 0.00 177.43 176.57 3ieb n HIS 54 N -3.89 1.16 0.34 1.19 8.25 0.26 -4.96 115.22 117.57 3ieb n HIS 54 Ca -0.02 -3.79 0.14 0.00 -0.26 0.00 0.00 57.72 53.80 3ieb n HIS 54 Cb 0.35 -0.43 0.60 0.00 1.12 0.00 0.00 29.99 31.63 3ieb n HIS 54 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3ieb h PRO 55 N 3.99 0.00 -0.01 -0.41 0.13 -1.63 -2.86 132.00 131.22 3ieb h PRO 55 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3ieb h PRO 55 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3ieb h PRO 55 CO 0.60 0.00 -0.67 0.09 -0.23 0.00 0.00 178.00 177.79 3ieb n ASN 56 N -2.62 1.51 -4.85 1.44 3.02 -1.26 -4.97 115.26 107.52 3ieb n ASN 56 Ca 0.01 -1.25 -0.32 0.00 -0.03 0.00 0.00 54.58 52.99 3ieb n ASN 56 Cb 0.25 0.71 -0.04 0.00 -0.61 0.00 0.00 39.78 40.09 3ieb n ASN 56 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3ieb s HIS 57 N -2.60 3.42 0.12 3.10 3.76 -1.08 -5.02 115.29 116.99 3ieb s HIS 57 Ca 0.13 1.29 -0.31 0.00 -0.15 0.00 0.00 55.06 56.02 3ieb s HIS 57 Cb 0.16 -2.63 -0.09 0.00 1.11 0.00 0.00 32.58 31.14 3ieb s HIS 57 CO 0.67 -0.15 1.56 0.42 -0.85 0.00 0.00 174.74 176.39 3ieb s ILE 58 N -2.34 2.89 -0.15 0.60 1.01 -1.20 -4.94 121.20 117.07 3ieb s ILE 58 Ca 0.56 0.56 -0.01 0.00 0.00 0.00 0.00 60.65 61.76 3ieb s ILE 58 Cb -0.10 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 3ieb s ILE 58 CO 0.26 0.03 -0.12 -0.22 0.00 0.00 0.00 174.94 174.89 3ieb s LEU 59 N 1.60 2.75 -0.10 2.97 2.96 -1.26 -1.23 118.68 126.37 3ieb s LEU 59 Ca 0.70 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 54.26 3ieb s LEU 59 Cb -0.41 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 3ieb s LEU 59 CO 0.31 0.13 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.75 3ieb s VAL 60 N 0.54 4.00 -0.32 1.68 1.01 -0.33 -0.36 120.40 126.62 3ieb s VAL 60 Ca -0.08 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 3ieb s VAL 60 Cb -0.15 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.55 3ieb s VAL 60 CO 0.04 0.57 0.12 0.00 0.00 0.00 0.00 175.10 175.82 3ieb s ASP 62 N 1.50 6.83 0.00 0.00 2.15 -0.19 -2.26 116.67 124.70 3ieb s ASP 62 Ca 0.02 0.99 0.00 0.00 0.43 0.00 0.00 52.55 53.99 3ieb s ASP 62 Cb -0.18 -2.31 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 3ieb s ASP 62 CO 0.04 0.12 0.00 0.29 -0.17 0.00 0.00 175.17 175.44 3ieb n LYS 64 N 2.87 0.00 -1.67 4.34 5.02 -0.97 -2.91 118.16 124.84 3ieb n LYS 64 Ca -0.09 0.00 -0.51 0.00 -2.02 0.00 0.00 58.31 55.70 3ieb n LYS 64 Cb 0.51 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.47 3ieb n LYS 64 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3ieb n THR 65 N 0.00 0.26 -0.05 -0.18 -1.04 -0.89 -3.69 114.28 108.68 3ieb n THR 65 Ca 0.00 -0.05 -0.04 0.00 -2.04 0.00 0.00 64.05 61.92 3ieb n THR 65 Cb 0.00 -1.43 -0.10 0.00 -1.82 0.00 0.00 70.33 66.98 3ieb n THR 65 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3ieb n THR 66 N 4.07 0.73 -3.88 12.58 -1.04 -1.26 -0.24 114.28 125.24 3ieb n THR 66 Ca 0.21 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.05 61.64 3ieb n THR 66 Cb 0.23 -0.53 -0.03 0.00 -1.82 0.00 0.00 70.33 68.18 3ieb n THR 66 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3ieb s ASP 67 N -4.40 -0.22 -0.77 8.00 -1.08 -1.26 -4.29 116.67 112.64 3ieb s ASP 67 Ca -0.06 -0.68 -0.05 0.00 -0.52 0.00 0.00 52.55 51.24 3ieb s ASP 67 Cb 0.05 0.68 0.01 0.00 -1.46 0.00 0.00 42.92 42.19 3ieb s ASP 67 CO 0.53 -1.27 0.67 0.61 0.52 0.00 0.00 175.17 176.23 3ieb n GLY 68 N -0.43 0.10 0.19 2.66 0.00 -1.26 -4.91 105.19 101.53 3ieb n GLY 68 Ca -0.04 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 3ieb n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ieb h GLY 69 N -1.52 0.63 0.59 -0.02 0.00 -1.94 -1.56 103.07 99.25 3ieb h GLY 69 Ca -0.32 -0.57 0.06 0.00 0.00 0.00 0.00 47.33 46.49 3ieb h GLY 69 CO 0.32 0.52 0.18 0.00 0.00 0.00 0.00 176.54 177.56 3ieb h ALA 70 N 0.74 0.58 -0.04 3.60 0.00 -1.85 -0.83 119.26 121.46 3ieb h ALA 70 Ca 0.06 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3ieb h ALA 70 Cb 0.66 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3ieb h ALA 70 CO 0.04 -0.20 -0.20 0.82 0.00 0.00 0.00 179.25 179.71 3ieb h ILE 71 N 0.37 1.48 -0.57 0.00 2.04 -1.93 -2.82 117.51 116.07 3ieb h ILE 71 Ca 0.22 -1.69 -0.09 0.00 1.00 0.00 0.00 64.86 64.30 3ieb h ILE 71 Cb 0.21 2.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 3ieb h ILE 71 CO -0.22 0.47 -0.00 -0.07 0.00 0.00 0.00 178.15 178.33 3ieb h LEU 72 N -0.37 0.99 -0.17 1.44 3.38 -1.25 -3.08 115.31 116.26 3ieb h LEU 72 Ca -0.01 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 3ieb h LEU 72 Cb 0.87 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3ieb h LEU 72 CO 0.04 1.06 0.10 0.28 0.09 0.00 0.00 178.44 180.01 3ieb h SER 73 N 0.90 0.20 0.00 -0.43 0.02 -1.24 -1.39 113.55 111.62 3ieb h SER 73 Ca 0.16 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3ieb h SER 73 Cb 0.55 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3ieb h SER 73 CO 0.03 0.20 0.00 -1.14 -1.14 0.00 0.00 176.83 174.78 3ieb n ARG 74 N -4.94 0.00 0.00 3.45 0.63 -1.06 -1.09 116.66 113.65 3ieb n ARG 74 Ca -0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 3ieb n ARG 74 Cb 0.06 -1.26 0.00 0.00 0.45 0.00 0.00 32.46 31.71 3ieb n ARG 74 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ieb n ALA 76 N 0.78 0.00 -0.20 5.13 0.00 -0.52 -0.43 120.51 125.27 3ieb n ALA 76 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3ieb n ALA 76 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 3ieb n ALA 76 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3ieb h PHE 77 N 0.00 1.14 -0.03 0.00 0.04 -1.36 -2.09 116.94 114.65 3ieb h PHE 77 Ca 0.00 -0.21 -0.05 0.00 2.80 0.00 0.00 57.97 60.52 3ieb h PHE 77 Cb 0.00 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 37.85 3ieb h PHE 77 CO 0.00 1.02 -0.20 0.93 -0.60 0.00 0.00 178.31 179.46 3ieb h GLU 78 N 0.93 0.05 0.00 1.51 5.08 -0.99 -2.04 114.58 119.13 3ieb h GLU 78 Ca 0.16 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3ieb h GLU 78 Cb 0.58 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3ieb h GLU 78 CO 0.03 0.25 0.00 0.00 -1.00 0.00 0.00 179.01 178.30 3ieb n ALA 79 N -2.50 1.91 0.00 3.43 0.00 -1.02 -4.90 120.51 117.44 3ieb n ALA 79 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3ieb n ALA 79 Cb 0.27 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3ieb n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ieb n GLY 80 N 0.53 0.75 3.77 0.00 0.00 -0.77 -3.12 105.19 106.37 3ieb n GLY 80 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3ieb n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ieb s ALA 81 N -1.35 3.61 -0.06 4.61 0.00 -0.82 -4.84 121.76 122.91 3ieb s ALA 81 Ca 0.00 1.59 -0.11 0.00 0.00 0.00 0.00 51.96 53.44 3ieb s ALA 81 Cb 0.00 -3.62 -0.30 0.00 0.00 0.00 0.00 23.12 19.20 3ieb s ALA 81 CO 0.00 -1.07 0.63 -0.44 0.00 0.00 0.00 175.76 174.88 3ieb h ASP 82 N 3.31 0.58 -4.30 0.00 3.32 -1.04 -3.42 116.42 114.87 3ieb h ASP 82 Ca -0.50 -0.93 -0.42 0.00 0.02 0.00 0.00 57.03 55.20 3ieb h ASP 82 Cb 1.24 -0.19 -0.25 0.00 0.22 0.00 0.00 39.33 40.34 3ieb h ASP 82 CO 0.67 1.78 -0.78 0.26 -1.72 0.00 0.00 179.24 179.44 3ieb s TRP 83 N -2.56 1.08 0.10 4.55 0.51 -0.75 -1.72 118.94 120.15 3ieb s TRP 83 Ca -0.17 -0.32 0.05 0.00 -2.12 0.00 0.00 56.10 53.54 3ieb s TRP 83 Cb 0.05 -0.65 -0.03 0.00 -0.81 0.00 0.00 33.47 32.03 3ieb s TRP 83 CO 0.84 0.01 -0.14 0.96 -0.51 0.00 0.00 176.95 178.11 3ieb s ILE 84 N -0.75 1.22 -0.11 2.03 -4.36 -0.75 -1.17 121.20 117.31 3ieb s ILE 84 Ca 0.01 -1.55 -0.05 0.00 -0.26 0.00 0.00 60.65 58.79 3ieb s ILE 84 Cb -0.07 -1.34 -0.04 0.00 1.25 0.00 0.00 42.46 42.26 3ieb s ILE 84 CO 0.01 -0.35 0.09 0.42 0.24 0.00 0.00 174.94 175.34 3ieb s THR 85 N -1.83 5.04 -0.07 8.37 -4.23 -0.96 -0.96 115.64 121.00 3ieb s THR 85 Ca 0.04 0.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.62 3ieb s THR 85 Cb -0.07 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.60 3ieb s THR 85 CO 0.02 0.61 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.84 3ieb s VAL 86 N -0.91 1.55 0.44 2.29 1.01 0.19 -2.09 120.40 122.88 3ieb s VAL 86 Ca 0.14 -0.74 -0.25 0.00 0.00 0.00 0.00 61.98 61.13 3ieb s VAL 86 Cb -0.12 -1.36 -0.08 0.00 0.00 0.00 0.00 36.38 34.83 3ieb s VAL 86 CO 0.03 0.45 1.30 -0.55 0.00 0.00 0.00 175.10 176.32 3ieb s SER 87 N 0.34 6.10 0.62 3.32 0.15 0.66 -0.24 113.70 124.65 3ieb s SER 87 Ca -0.12 2.63 0.35 0.00 0.70 0.00 0.00 55.95 59.51 3ieb s SER 87 Cb -0.15 -2.63 2.03 0.00 -1.71 0.00 0.00 66.02 63.56 3ieb s SER 87 CO 0.05 -1.00 2.27 0.00 1.20 0.00 0.00 173.24 175.76 3ieb h ALA 88 N 2.36 1.35 0.00 5.45 0.00 -1.45 -2.39 119.26 124.58 3ieb h ALA 88 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3ieb h ALA 88 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3ieb h ALA 88 CO 0.61 -0.06 -0.01 0.00 0.00 0.00 0.00 179.25 179.80 3ieb n ALA 89 N -2.21 2.33 -1.76 0.00 0.00 -1.26 -4.83 120.51 112.78 3ieb n ALA 89 Ca -0.02 -0.08 -0.39 0.00 0.00 0.00 0.00 53.44 52.95 3ieb n ALA 89 Cb 0.12 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.13 3ieb n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ieb s ALA 90 N -3.03 3.10 0.60 0.00 0.00 -0.90 -4.96 121.76 116.56 3ieb s ALA 90 Ca 0.13 1.38 -0.18 0.00 0.00 0.00 0.00 51.96 53.29 3ieb s ALA 90 Cb 0.17 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3ieb s ALA 90 CO 0.56 -1.20 1.19 -1.58 0.00 0.00 0.00 175.76 174.73 3ieb s HIS 91 N -1.25 2.40 0.54 0.00 5.65 -1.26 -4.78 115.29 116.59 3ieb s HIS 91 Ca 0.64 1.53 0.24 0.00 0.25 0.00 0.00 55.06 57.72 3ieb s HIS 91 Cb -0.42 -3.45 1.41 0.00 -1.18 0.00 0.00 32.58 28.95 3ieb s HIS 91 CO 0.52 -2.16 2.03 0.97 -0.65 0.00 0.00 174.74 175.45 3ieb h ILE 92 N 0.77 0.73 -0.26 0.89 6.09 -1.94 -0.06 117.51 123.74 3ieb h ILE 92 Ca -0.50 0.00 -0.13 0.00 -1.37 0.00 0.00 64.86 62.86 3ieb h ILE 92 Cb 1.29 0.79 -0.01 0.00 0.47 0.00 0.00 36.82 39.36 3ieb h ILE 92 CO 0.55 0.00 -0.38 0.00 -3.07 0.00 0.00 178.15 175.24 3ieb h ALA 93 N 1.77 0.85 -0.37 0.18 0.00 -1.99 0.13 119.26 119.83 3ieb h ALA 93 Ca 0.19 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 3ieb h ALA 93 Cb 0.78 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3ieb h ALA 93 CO -0.00 0.64 0.00 1.15 0.00 0.00 0.00 179.25 181.04 3ieb h THR 94 N 0.49 1.26 -0.45 0.00 2.02 -1.40 -1.07 112.91 113.76 3ieb h THR 94 Ca 0.05 -0.98 -0.00 0.00 0.77 0.00 0.00 66.41 66.24 3ieb h THR 94 Cb 0.89 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 3ieb h THR 94 CO 0.08 0.33 0.27 0.40 0.37 0.00 0.00 175.52 176.97 3ieb h ILE 95 N 0.48 1.14 -0.89 3.11 2.04 -0.96 -0.91 117.51 121.52 3ieb h ILE 95 Ca 0.11 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.70 3ieb h ILE 95 Cb 0.46 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 3ieb h ILE 95 CO 0.02 0.14 0.57 0.00 0.00 0.00 0.00 178.15 178.88 3ieb h ALA 96 N 1.13 1.19 -0.69 1.87 0.00 -0.65 -1.63 119.26 120.48 3ieb h ALA 96 Ca 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3ieb h ALA 96 Cb -0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3ieb h ALA 96 CO -0.03 0.40 0.40 0.00 0.00 0.00 0.00 179.25 180.01 3ieb h ALA 97 N 1.38 0.88 -0.36 0.00 0.00 -0.56 0.91 119.26 121.50 3ieb h ALA 97 Ca 0.36 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3ieb h ALA 97 Cb 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3ieb h ALA 97 CO -0.13 0.37 0.22 0.00 0.00 0.00 0.00 179.25 179.70 3ieb h LYS 99 N 0.44 1.05 -0.63 0.00 1.63 -0.85 -0.94 116.57 117.27 3ieb h LYS 99 Ca 0.14 -0.26 0.02 0.00 -0.85 0.00 0.00 60.65 59.70 3ieb h LYS 99 Cb -0.00 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.45 3ieb h LYS 99 CO -0.06 0.95 0.40 -0.22 -3.45 0.00 0.00 179.45 177.07 3ieb h LYS 100 N 0.99 0.77 -0.25 1.90 3.64 -0.63 -0.22 116.57 122.77 3ieb h LYS 100 Ca 0.20 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3ieb h LYS 100 Cb 0.40 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3ieb h LYS 100 CO 0.01 0.51 0.06 0.28 -2.27 0.00 0.00 179.45 178.04 3ieb h VAL 101 N 0.79 1.21 -0.81 2.00 2.07 -1.06 -2.21 116.25 118.24 3ieb h VAL 101 Ca 0.25 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 67.10 3ieb h VAL 101 Cb -0.01 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 3ieb h VAL 101 CO -0.09 0.22 0.52 0.00 0.02 0.00 0.00 177.57 178.24 3ieb h ALA 102 N 0.88 1.05 -0.42 1.67 0.00 -0.82 -0.57 119.26 121.06 3ieb h ALA 102 Ca 0.08 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3ieb h ALA 102 Cb 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ieb h ALA 102 CO 0.00 0.36 -0.24 -0.44 0.00 0.00 0.00 179.25 178.93 3ieb h ASP 103 N 1.02 0.88 -0.92 0.00 3.32 -0.92 0.49 116.42 120.29 3ieb h ASP 103 Ca 0.32 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 57.06 3ieb h ASP 103 Cb -0.02 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.24 3ieb h ASP 103 CO -0.10 1.08 0.61 -0.33 -1.72 0.00 0.00 179.24 178.77 3ieb h GLU 104 N 0.74 1.17 -0.57 3.56 5.08 -0.73 -3.14 114.58 120.68 3ieb h GLU 104 Ca 0.10 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3ieb h GLU 104 Cb 0.78 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3ieb h GLU 104 CO 0.06 0.77 0.00 1.28 -1.00 0.00 0.00 179.01 180.13 3ieb n LEU 105 N -4.42 3.66 -3.12 1.33 4.77 -0.29 -4.97 117.00 113.97 3ieb n LEU 105 Ca 0.11 -2.07 -0.22 0.00 -0.03 0.00 0.00 56.01 53.80 3ieb n LEU 105 Cb 0.06 -0.41 0.05 0.00 -2.33 0.00 0.00 43.42 40.79 3ieb n LEU 105 CO 0.36 0.87 0.07 0.59 -1.33 0.00 0.00 177.39 177.95 3ieb n ASN 106 N 1.13 -6.14 -2.65 -1.43 5.03 -0.24 -5.01 115.26 105.94 3ieb n ASN 106 Ca 0.20 -0.35 -0.06 0.00 0.87 0.00 0.00 54.58 55.23 3ieb n ASN 106 Cb 0.58 -4.90 -0.00 0.00 -1.02 0.00 0.00 39.78 34.44 3ieb n ASN 106 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ieb n GLY 107 N -1.65 3.18 3.09 7.41 0.00 -0.00 -5.03 105.19 112.17 3ieb n GLY 107 Ca -0.08 -2.21 -0.15 0.00 0.00 0.00 0.00 46.02 43.58 3ieb n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ieb s GLU 108 N -2.50 0.63 -0.05 1.61 2.02 -0.70 -4.44 118.70 115.26 3ieb s GLU 108 Ca 0.06 -0.75 -0.05 0.00 0.02 0.00 0.00 54.97 54.25 3ieb s GLU 108 Cb -0.00 -0.50 -0.04 0.00 0.10 0.00 0.00 34.13 33.69 3ieb s GLU 108 CO 0.04 0.11 0.18 0.42 0.02 0.00 0.00 175.26 176.02 3ieb s ILE 109 N -1.18 5.45 -0.08 -1.63 -1.09 -1.26 -1.80 121.20 119.61 3ieb s ILE 109 Ca -0.06 0.04 0.03 0.00 -2.23 0.00 0.00 60.65 58.42 3ieb s ILE 109 Cb -0.09 -3.49 0.01 0.00 -1.58 0.00 0.00 42.46 37.31 3ieb s ILE 109 CO 0.01 0.45 -0.15 -1.10 -1.23 0.00 0.00 174.94 172.92 3ieb s GLN 110 N -1.54 2.02 -0.26 2.79 -0.21 -0.13 -4.30 119.66 118.03 3ieb s GLN 110 Ca 0.22 -0.52 -0.24 0.00 0.02 0.00 0.00 55.36 54.85 3ieb s GLN 110 Cb -0.12 -1.63 -0.01 0.00 1.00 0.00 0.00 33.01 32.25 3ieb s GLN 110 CO 0.12 0.05 0.79 0.42 -2.12 0.00 0.00 175.29 174.55 3ieb s ILE 111 N 0.64 4.85 -0.44 1.08 -1.09 -0.70 -0.64 121.20 124.90 3ieb s ILE 111 Ca -0.15 1.42 -0.27 0.00 -2.23 0.00 0.00 60.65 59.42 3ieb s ILE 111 Cb -0.16 -4.09 0.03 0.00 -1.58 0.00 0.00 42.46 36.65 3ieb s ILE 111 CO 0.04 -0.09 1.03 -1.61 -1.23 0.00 0.00 174.94 173.08 3ieb s GLU 112 N 2.81 3.72 -0.58 2.79 0.41 0.66 0.13 118.70 128.65 3ieb s GLU 112 Ca 0.33 0.50 -0.27 0.00 -0.41 0.00 0.00 54.97 55.12 3ieb s GLU 112 Cb -0.15 -3.88 0.03 0.00 -1.78 0.00 0.00 34.13 28.35 3ieb s GLU 112 CO 0.09 -1.22 1.11 0.42 -0.49 0.00 0.00 175.26 175.17 3ieb s ILE 113 N 4.01 4.13 0.12 -1.63 1.01 -0.96 -1.25 121.20 126.63 3ieb s ILE 113 Ca 0.43 0.66 0.00 0.00 0.00 0.00 0.00 60.65 61.74 3ieb s ILE 113 Cb -0.09 -4.68 -0.04 0.00 0.01 0.00 0.00 42.46 37.66 3ieb s ILE 113 CO 0.26 -1.29 0.01 -0.31 0.00 0.00 0.00 174.94 173.60 3ieb s TYR 114 N 4.65 0.89 0.00 3.97 2.02 -1.26 -4.66 117.35 122.96 3ieb s TYR 114 Ca 0.38 -1.10 0.00 0.00 -0.37 0.00 0.00 57.07 55.99 3ieb s TYR 114 Cb -0.09 -0.53 0.00 0.00 -0.40 0.00 0.00 41.96 40.94 3ieb s TYR 114 CO 0.23 -0.35 0.00 0.41 -1.57 0.00 0.00 175.55 174.26 3ieb n GLY 115 N -0.09 -1.79 2.43 0.71 0.00 -1.26 -4.26 105.19 100.93 3ieb n GLY 115 Ca -0.08 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 3ieb n GLY 115 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ieb n ASN 116 N 0.44 8.25 -4.81 1.61 5.03 -1.26 -4.96 115.26 119.57 3ieb n ASN 116 Ca 0.00 -2.97 -0.33 0.00 0.87 0.00 0.00 54.58 52.15 3ieb n ASN 116 Cb 0.00 -1.42 -0.01 0.00 -1.02 0.00 0.00 39.78 37.33 3ieb n ASN 116 CO 0.00 0.00 0.00 -1.66 -1.83 0.00 0.00 177.26 173.77 3ieb s TRP 117 N -0.18 3.07 0.00 3.10 1.48 -1.26 -5.12 118.94 120.03 3ieb s TRP 117 Ca 0.59 1.52 0.00 0.00 -1.06 0.00 0.00 56.10 57.15 3ieb s TRP 117 Cb 0.19 -2.99 0.00 0.00 -1.16 0.00 0.00 33.47 29.51 3ieb s TRP 117 CO -0.09 -0.90 0.00 0.25 -4.06 0.00 0.00 176.95 172.15 3ieb n THR 118 N -1.65 0.00 0.00 0.66 -2.24 -1.26 -5.04 114.28 104.75 3ieb n THR 118 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3ieb n THR 118 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3ieb n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ieb n GLN 120 N 0.00 0.00 -0.10 -0.78 1.13 -1.26 -1.71 117.38 114.67 3ieb n GLN 120 Ca 0.00 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 3ieb n GLN 120 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3ieb n GLN 120 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 3ieb h ASP 121 N 0.00 0.25 -0.78 1.08 3.32 -1.99 -1.63 116.42 116.67 3ieb h ASP 121 Ca 0.00 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.09 3ieb h ASP 121 Cb 0.00 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 3ieb h ASP 121 CO 0.00 0.19 0.50 0.00 -1.72 0.00 0.00 179.24 178.20 3ieb h ALA 122 N 1.17 1.01 -0.30 3.45 0.00 -1.76 -0.95 119.26 121.88 3ieb h ALA 122 Ca 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3ieb h ALA 122 Cb 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3ieb h ALA 122 CO -0.09 0.32 0.01 0.87 0.00 0.00 0.00 179.25 180.36 3ieb h LYS 123 N 0.98 0.46 -0.68 0.00 1.57 -1.78 -1.69 116.57 115.44 3ieb h LYS 123 Ca 0.31 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 3ieb h LYS 123 Cb -0.01 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3ieb h LYS 123 CO -0.10 0.47 0.31 0.00 -0.57 0.00 0.00 179.45 179.56 3ieb h ALA 124 N 1.58 1.27 -0.11 3.86 0.00 -0.24 0.18 119.26 125.80 3ieb h ALA 124 Ca 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ieb h ALA 124 Cb 0.27 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ieb h ALA 124 CO 0.01 0.56 0.03 -1.49 0.00 0.00 0.00 179.25 178.35 3ieb h TRP 125 N 0.96 0.17 -0.90 0.00 6.55 -0.46 -2.60 115.95 119.68 3ieb h TRP 125 Ca 0.23 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.06 3ieb h TRP 125 Cb 0.13 -0.05 -0.04 0.00 -0.86 0.00 0.00 29.16 28.33 3ieb h TRP 125 CO 0.01 0.32 0.58 0.28 -1.05 0.00 0.00 178.44 178.58 3ieb h VAL 126 N -0.02 1.24 -0.09 1.49 2.07 -1.21 -1.29 116.25 118.44 3ieb h VAL 126 Ca 0.03 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.12 3ieb h VAL 126 Cb 0.23 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.93 3ieb h VAL 126 CO -0.00 0.24 0.07 0.44 0.02 0.00 0.00 177.57 178.33 3ieb h ASP 127 N 1.22 0.01 -0.00 0.57 5.19 -0.70 0.86 116.42 123.58 3ieb h ASP 127 Ca 0.33 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.74 3ieb h ASP 127 Cb -0.11 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.40 3ieb h ASP 127 CO -0.07 0.01 0.00 0.18 -3.12 0.00 0.00 179.24 176.24 3ieb n LEU 128 N -4.51 0.04 0.00 1.55 4.77 -0.53 -4.89 117.00 113.42 3ieb n LEU 128 Ca -0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3ieb n LEU 128 Cb 0.17 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3ieb n LEU 128 CO 0.34 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3ieb n GLY 129 N 0.88 0.66 3.73 -0.72 0.00 0.30 -5.03 105.19 105.01 3ieb n GLY 129 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3ieb n GLY 129 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ieb s ILE 130 N -2.27 4.51 -0.05 -0.61 1.01 -0.92 -4.93 121.20 117.93 3ieb s ILE 130 Ca 0.00 2.04 0.07 0.00 0.00 0.00 0.00 60.65 62.76 3ieb s ILE 130 Cb 0.00 -4.31 0.11 0.00 0.01 0.00 0.00 42.46 38.27 3ieb s ILE 130 CO 0.00 0.33 0.98 0.35 0.00 0.00 0.00 174.94 176.59 3ieb n THR 131 N 2.75 0.87 -4.54 2.92 -2.24 -1.26 -4.00 114.28 108.78 3ieb n THR 131 Ca 0.02 -1.01 -0.21 0.00 -2.27 0.00 0.00 64.05 60.57 3ieb n THR 131 Cb 0.49 0.31 -0.15 0.00 -2.10 0.00 0.00 70.33 68.88 3ieb n THR 131 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3ieb s GLN 132 N -1.23 1.04 0.01 -0.78 -0.21 -1.26 -0.38 119.66 116.84 3ieb s GLN 132 Ca 0.12 -0.53 -0.14 0.00 0.02 0.00 0.00 55.36 54.82 3ieb s GLN 132 Cb 0.10 -1.01 0.02 0.00 1.00 0.00 0.00 33.01 33.12 3ieb s GLN 132 CO 0.01 0.27 0.30 0.00 -2.12 0.00 0.00 175.29 173.75 3ieb s ALA 133 N -0.43 -0.72 -0.23 6.09 0.00 -1.14 -1.72 121.76 123.62 3ieb s ALA 133 Ca 0.04 0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.12 3ieb s ALA 133 Cb -0.06 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 3ieb s ALA 133 CO -0.00 -0.31 0.03 0.42 0.00 0.00 0.00 175.76 175.90 3ieb s ILE 134 N -1.77 4.09 -0.28 0.00 -1.09 0.12 -0.60 121.20 121.67 3ieb s ILE 134 Ca -0.11 -0.25 -0.04 0.00 -2.23 0.00 0.00 60.65 58.03 3ieb s ILE 134 Cb -0.04 -2.89 0.03 0.00 -1.58 0.00 0.00 42.46 37.98 3ieb s ILE 134 CO 0.01 0.38 0.00 -0.47 -1.23 0.00 0.00 174.94 173.64 3ieb s TYR 135 N 1.39 3.13 -0.01 3.97 5.04 0.39 -2.27 117.35 129.00 3ieb s TYR 135 Ca 0.05 -1.42 -0.11 0.00 -2.44 0.00 0.00 57.07 53.15 3ieb s TYR 135 Cb -0.15 -2.14 -0.05 0.00 0.35 0.00 0.00 41.96 39.97 3ieb s TYR 135 CO 0.02 -0.69 0.32 -1.01 -1.34 0.00 0.00 175.55 172.85 3ieb s HIS 136 N 1.37 3.65 0.05 4.97 3.76 -1.26 -1.66 115.29 126.17 3ieb s HIS 136 Ca -0.00 0.77 -0.35 0.00 -0.15 0.00 0.00 55.06 55.33 3ieb s HIS 136 Cb -0.17 -2.13 -0.14 0.00 1.11 0.00 0.00 32.58 31.24 3ieb s HIS 136 CO -0.01 0.64 1.58 -2.13 -0.85 0.00 0.00 174.74 173.97 3ieb n ARG 137 N 1.55 1.79 -1.57 1.40 0.63 -0.37 -4.79 116.66 115.29 3ieb n ARG 137 Ca -0.14 0.65 -0.47 0.00 -0.92 0.00 0.00 57.85 56.98 3ieb n ARG 137 Cb 0.53 -2.39 -0.03 0.00 0.45 0.00 0.00 32.46 31.03 3ieb n ARG 137 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3ieb n SER 138 N 3.95 1.19 -0.13 6.15 2.88 -1.26 -4.80 113.62 121.60 3ieb n SER 138 Ca 0.19 1.16 -0.11 0.00 -1.33 0.00 0.00 58.87 58.79 3ieb n SER 138 Cb 0.25 -1.24 0.02 0.00 -0.75 0.00 0.00 64.21 62.49 3ieb n SER 138 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3ieb h ARG 139 N 2.55 0.92 -0.85 -1.46 9.65 -1.99 -1.83 114.38 121.37 3ieb h ARG 139 Ca -0.40 -0.41 0.06 0.00 -1.10 0.00 0.00 59.98 58.13 3ieb h ARG 139 Cb 1.35 -0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 29.84 3ieb h ARG 139 CO 0.65 1.06 0.52 -0.44 2.80 0.00 0.00 179.97 184.57 3ieb h ASP 140 N 0.79 0.83 -0.28 -3.80 3.32 -1.99 0.67 116.42 115.96 3ieb h ASP 140 Ca 0.10 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 3ieb h ASP 140 Cb 0.82 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 3ieb h ASP 140 CO 0.07 0.53 0.02 0.00 -1.72 0.00 0.00 179.24 178.14 3ieb h ALA 141 N 1.40 0.37 -0.24 3.45 0.00 -1.78 -1.62 119.26 120.84 3ieb h ALA 141 Ca 0.37 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3ieb h ALA 141 Cb 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3ieb h ALA 141 CO -0.17 0.08 0.09 1.49 0.00 0.00 0.00 179.25 180.74 3ieb h GLU 142 N 0.28 0.19 -0.29 0.00 4.81 -1.00 0.51 114.58 119.07 3ieb h GLU 142 Ca 0.08 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3ieb h GLU 142 Cb 0.38 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3ieb h GLU 142 CO 0.01 0.13 0.00 -0.07 -0.73 0.00 0.00 179.01 178.35 3ieb h LEU 143 N 0.20 0.41 0.00 1.64 3.38 -0.76 -2.70 115.31 117.48 3ieb h LEU 143 Ca 0.10 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ieb h LEU 143 Cb 0.06 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3ieb h LEU 143 CO -0.10 0.48 -0.11 0.00 0.09 0.00 0.00 178.44 178.79 3ieb n ALA 144 N -2.48 2.45 -2.56 1.53 0.00 -0.62 -4.95 120.51 113.88 3ieb n ALA 144 Ca 0.01 -0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.27 3ieb n ALA 144 Cb 0.22 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.28 3ieb n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ieb n GLY 145 N 1.37 0.15 1.27 0.00 0.00 0.06 -4.96 105.19 103.09 3ieb n GLY 145 Ca 0.06 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.79 3ieb n GLY 145 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3ieb n ILE 146 N -3.80 0.99 -4.35 -0.61 -5.35 -0.56 -5.03 119.36 100.66 3ieb n ILE 146 Ca -0.05 -1.00 0.00 0.00 -0.27 0.00 0.00 62.75 61.43 3ieb n ILE 146 Cb 0.55 0.51 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 3ieb n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ieb n GLY 147 N 1.51 0.99 3.60 3.28 0.00 -1.26 -4.66 105.19 108.65 3ieb n GLY 147 Ca 0.23 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 3ieb n GLY 147 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ieb s TRP 148 N 0.00 3.24 0.42 1.61 0.52 -1.26 -4.64 118.94 118.83 3ieb s TRP 148 Ca 0.00 0.04 -0.01 0.00 0.02 0.00 0.00 56.10 56.15 3ieb s TRP 148 Cb 0.00 -2.20 -0.02 0.00 -1.15 0.00 0.00 33.47 30.10 3ieb s TRP 148 CO 0.00 0.00 0.65 0.95 0.02 0.00 0.00 176.95 178.57 3ieb s THR 149 N 0.96 4.49 0.34 2.01 -4.23 -1.26 -4.97 115.64 112.98 3ieb s THR 149 Ca 0.06 -0.38 0.04 0.00 -1.18 0.00 0.00 61.69 60.22 3ieb s THR 149 Cb -0.14 -3.66 0.28 0.00 1.34 0.00 0.00 72.50 70.33 3ieb s THR 149 CO 0.03 -0.49 1.95 0.74 -0.54 0.00 0.00 174.62 176.32 3ieb h THR 150 N 0.48 1.06 -0.48 3.99 2.02 -1.98 -0.90 112.91 117.09 3ieb h THR 150 Ca -0.47 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.41 3ieb h THR 150 Cb 1.23 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3ieb h THR 150 CO 0.59 0.16 0.30 -0.78 0.37 0.00 0.00 175.52 176.16 3ieb h ASP 151 N 0.86 0.56 0.20 4.18 3.58 -1.99 0.10 116.42 123.92 3ieb h ASP 151 Ca 0.32 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 3ieb h ASP 151 Cb 0.18 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.09 3ieb h ASP 151 CO -0.11 0.43 -0.10 0.44 -2.88 0.00 0.00 179.24 177.03 3ieb h ASP 152 N 0.64 -0.23 -0.48 2.28 3.32 -1.68 -0.81 116.42 119.46 3ieb h ASP 152 Ca 0.17 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 3ieb h ASP 152 Cb -0.04 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3ieb h ASP 152 CO -0.04 -0.16 0.21 -0.07 -1.72 0.00 0.00 179.24 177.47 3ieb h LEU 153 N -0.28 0.64 -0.47 1.55 3.38 -0.96 -2.43 115.31 116.73 3ieb h LEU 153 Ca -0.03 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 57.87 3ieb h LEU 153 Cb 0.22 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 3ieb h LEU 153 CO 0.05 0.61 0.12 0.44 0.09 0.00 0.00 178.44 179.74 3ieb h ASP 154 N 0.63 0.06 0.00 -0.43 3.32 -0.71 -0.75 116.42 118.54 3ieb h ASP 154 Ca 0.16 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3ieb h ASP 154 Cb 0.15 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3ieb h ASP 154 CO -0.02 0.06 0.00 0.29 -1.72 0.00 0.00 179.24 177.86 3ieb n LYS 155 N -5.07 0.23 0.00 3.56 5.02 -0.32 -1.05 118.16 120.53 3ieb n LYS 155 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3ieb n LYS 155 Cb 0.21 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 3ieb n LYS 155 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ieb n ARG 157 N 0.78 0.00 -0.14 1.97 1.74 -0.29 -1.27 116.66 119.45 3ieb n ARG 157 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 3ieb n ARG 157 Cb 0.10 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.53 3ieb n ARG 157 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3ieb h GLN 158 N 0.00 0.75 -0.38 5.56 4.20 -1.35 -1.19 115.11 122.70 3ieb h GLN 158 Ca 0.00 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.42 3ieb h GLN 158 Cb 0.00 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3ieb h GLN 158 CO 0.00 0.87 0.17 -0.07 -0.67 0.00 0.00 178.83 179.12 3ieb h LEU 159 N 0.57 0.51 -1.25 1.46 3.38 -1.45 -2.42 115.31 116.11 3ieb h LEU 159 Ca 0.11 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3ieb h LEU 159 Cb 0.57 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3ieb h LEU 159 CO 0.03 0.52 0.51 -1.28 0.09 0.00 0.00 178.44 178.31 3ieb h SER 160 N 0.47 0.87 0.89 -0.43 0.87 -1.68 -1.52 113.55 113.02 3ieb h SER 160 Ca 0.13 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 3ieb h SER 160 Cb 0.16 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3ieb h SER 160 CO -0.01 0.63 -0.20 0.00 -0.53 0.00 0.00 176.83 176.71 3ieb h ALA 161 N 1.52 1.03 0.00 6.23 0.00 -0.76 -1.66 119.26 125.63 3ieb h ALA 161 Ca 0.29 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ieb h ALA 161 Cb -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3ieb h ALA 161 CO -0.07 0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.72 3ieb n LEU 162 N -3.39 0.62 0.00 0.00 4.77 -0.61 -4.92 117.00 113.47 3ieb n LEU 162 Ca 0.00 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 3ieb n LEU 162 Cb 0.41 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3ieb n LEU 162 CO 0.33 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 3ieb n GLY 163 N 0.47 1.08 3.73 -0.72 0.00 -0.62 -5.00 105.19 104.12 3ieb n GLY 163 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3ieb n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ieb s ILE 164 N -2.00 5.04 -0.32 -0.61 1.01 -0.99 -4.79 121.20 118.54 3ieb s ILE 164 Ca 0.00 1.26 -0.17 0.00 0.00 0.00 0.00 60.65 61.74 3ieb s ILE 164 Cb 0.00 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 3ieb s ILE 164 CO 0.00 0.32 0.47 -1.61 0.00 0.00 0.00 174.94 174.12 3ieb s GLU 165 N 0.47 3.75 0.18 2.79 2.02 0.49 -4.06 118.70 124.34 3ieb s GLU 165 Ca 0.33 -0.08 -0.17 0.00 0.02 0.00 0.00 54.97 55.07 3ieb s GLU 165 Cb -0.17 -3.76 -0.07 0.00 0.10 0.00 0.00 34.13 30.23 3ieb s GLU 165 CO 0.16 -0.52 0.63 -0.51 0.02 0.00 0.00 175.26 175.03 3ieb s LEU 166 N 2.28 4.34 -0.22 1.80 1.43 -0.05 -2.88 118.68 125.37 3ieb s LEU 166 Ca 0.18 1.23 -0.08 0.00 -1.03 0.00 0.00 54.13 54.42 3ieb s LEU 166 Cb -0.16 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 3ieb s LEU 166 CO 0.12 0.08 0.09 -0.44 0.23 0.00 0.00 176.35 176.42 3ieb s SER 167 N -1.67 5.57 -0.14 2.29 0.01 0.23 0.63 113.70 120.61 3ieb s SER 167 Ca 0.40 -0.02 -0.04 0.00 1.31 0.00 0.00 55.95 57.60 3ieb s SER 167 Cb -0.16 -1.98 -0.03 0.00 0.21 0.00 0.00 66.02 64.06 3ieb s SER 167 CO 0.20 0.07 -0.00 -0.63 0.41 0.00 0.00 173.24 173.29 3ieb s ILE 168 N 1.01 4.23 0.10 1.44 1.01 -0.30 -0.46 121.20 128.23 3ieb s ILE 168 Ca 0.05 -0.25 -0.13 0.00 0.00 0.00 0.00 60.65 60.32 3ieb s ILE 168 Cb -0.14 -2.85 0.02 0.00 0.01 0.00 0.00 42.46 39.50 3ieb s ILE 168 CO 0.03 0.51 0.32 0.28 0.00 0.00 0.00 174.94 176.09 3ieb s THR 169 N 0.05 0.09 0.00 2.92 -1.32 -0.67 -1.61 115.64 115.10 3ieb s THR 169 Ca 0.02 -0.77 0.00 0.00 -1.21 0.00 0.00 61.69 59.73 3ieb s THR 169 Cb -0.13 -1.18 0.00 0.00 -1.51 0.00 0.00 72.50 69.68 3ieb s THR 169 CO 0.02 -0.43 0.00 0.61 -2.21 0.00 0.00 174.62 172.61 3ieb n GLY 170 N -0.02 1.14 2.38 6.08 0.00 -1.26 -1.24 105.19 112.27 3ieb n GLY 170 Ca -0.16 -0.48 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 3ieb n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ieb n GLY 171 N 0.00 0.51 3.69 -0.02 0.00 -1.26 -4.77 105.19 103.34 3ieb n GLY 171 Ca 0.00 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 3ieb n GLY 171 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ieb s ILE 172 N -2.74 2.69 0.16 -0.61 -1.09 -1.26 -5.00 121.20 113.36 3ieb s ILE 172 Ca 0.00 0.14 0.03 0.00 -2.23 0.00 0.00 60.65 58.59 3ieb s ILE 172 Cb 0.00 -3.09 -0.05 0.00 -1.58 0.00 0.00 42.46 37.74 3ieb s ILE 172 CO 0.00 -0.00 -0.04 0.68 -1.23 0.00 0.00 174.94 174.35 3ieb s VAL 173 N 2.91 0.88 0.44 2.92 -7.23 -1.26 -4.99 120.40 114.06 3ieb s VAL 173 Ca 0.80 -2.00 0.15 0.00 -1.81 0.00 0.00 61.98 59.12 3ieb s VAL 173 Cb -0.44 -2.00 0.34 0.00 0.56 0.00 0.00 36.38 34.84 3ieb s VAL 173 CO 0.36 -0.60 1.96 -0.65 -0.31 0.00 0.00 175.10 175.86 3ieb h PRO 174 N 2.73 0.38 0.00 4.82 0.11 -1.91 -1.52 132.00 136.62 3ieb h PRO 174 Ca -0.37 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 3ieb h PRO 174 Cb 1.20 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ieb h PRO 174 CO 0.64 0.25 -0.08 0.93 -0.21 0.00 0.00 178.00 179.53 3ieb h GLU 175 N 0.40 0.00 0.00 1.05 3.07 -1.96 -2.65 114.58 114.48 3ieb h GLU 175 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 3ieb h GLU 175 Cb 0.68 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 3ieb h GLU 175 CO -0.09 0.08 -0.22 -0.44 -1.40 0.00 0.00 179.01 176.94 3ieb h ASP 176 N 0.00 0.00 -0.83 1.42 3.32 -1.67 -3.41 116.42 115.25 3ieb h ASP 176 Ca -0.00 -0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.12 3ieb h ASP 176 Cb 0.18 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.67 3ieb h ASP 176 CO 0.01 0.00 0.50 0.40 -1.72 0.00 0.00 179.24 178.43 3ieb h ILE 177 N 0.00 1.00 -0.87 0.35 1.08 -1.54 -0.80 117.51 116.72 3ieb h ILE 177 Ca 0.00 -0.31 0.24 0.00 -0.39 0.00 0.00 64.86 64.40 3ieb h ILE 177 Cb 0.99 0.03 -0.04 0.00 -3.07 0.00 0.00 36.82 34.72 3ieb h ILE 177 CO 0.00 0.16 0.61 0.10 -0.69 0.00 0.00 178.15 178.33 3ieb h TYR 178 N 0.89 0.16 -0.08 1.37 -0.00 -1.81 -0.01 116.97 117.48 3ieb h TYR 178 Ca 0.37 0.00 0.02 0.00 0.00 0.00 0.00 58.73 59.13 3ieb h TYR 178 Cb 0.23 -0.05 -0.00 0.00 0.00 0.00 0.00 36.73 36.91 3ieb h TYR 178 CO -0.04 0.04 0.12 -0.07 -0.00 0.00 0.00 178.16 178.21 3ieb h LEU 179 N 0.11 0.00 -2.42 0.10 3.38 -1.45 -2.54 115.31 112.50 3ieb h LEU 179 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 3ieb h LEU 179 Cb 1.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 3ieb h LEU 179 CO -0.06 0.00 0.00 0.49 0.09 0.00 0.00 178.44 178.96 3ieb n PHE 180 N -3.60 0.56 -1.63 1.13 3.72 -0.02 -4.99 117.46 112.63 3ieb n PHE 180 Ca -0.01 -0.31 -0.45 0.00 -0.05 0.00 0.00 57.45 56.64 3ieb n PHE 180 Cb 0.22 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.74 3ieb n PHE 180 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3ieb n GLU 181 N 1.38 1.65 0.00 -1.08 2.13 -0.96 -1.25 120.64 122.51 3ieb n GLU 181 Ca 0.19 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.59 3ieb n GLU 181 Cb 0.57 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 30.20 3ieb n GLU 181 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ieb n GLY 182 N 1.43 2.19 3.72 8.31 0.00 -1.26 -5.02 105.19 114.55 3ieb n GLY 182 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3ieb n GLY 182 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ieb s ILE 183 N -2.63 5.21 -0.21 -0.61 1.01 -0.38 -5.02 121.20 118.58 3ieb s ILE 183 Ca 0.00 0.87 -0.29 0.00 0.00 0.00 0.00 60.65 61.23 3ieb s ILE 183 Cb 0.00 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 3ieb s ILE 183 CO 0.00 0.34 1.94 -0.54 0.00 0.00 0.00 174.94 176.68 3ieb s LYS 184 N 0.61 3.48 -0.15 2.79 1.02 -1.26 -4.96 119.74 121.26 3ieb s LYS 184 Ca 0.24 1.88 -0.00 0.00 0.02 0.00 0.00 55.97 58.11 3ieb s LYS 184 Cb -0.15 -4.22 0.03 0.00 -0.52 0.00 0.00 37.83 32.97 3ieb s LYS 184 CO 0.09 -1.70 -0.09 0.99 -0.92 0.00 0.00 175.35 173.72 3ieb s THR 185 N 6.70 1.30 -0.07 2.17 2.01 -1.26 -0.88 115.64 125.61 3ieb s THR 185 Ca 0.87 -0.60 -0.25 0.00 0.31 0.00 0.00 61.69 62.02 3ieb s THR 185 Cb -0.30 -1.34 -0.20 0.00 0.01 0.00 0.00 72.50 70.66 3ieb s THR 185 CO 0.34 0.28 0.97 0.11 -0.69 0.00 0.00 174.62 175.64 3ieb h LYS 186 N 8.09 -0.06 -3.73 4.92 1.79 -0.04 -3.30 116.57 124.25 3ieb h LYS 186 Ca -0.30 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.08 3ieb h LYS 186 Cb 1.12 0.01 -0.15 0.00 -1.58 0.00 0.00 32.23 31.63 3ieb h LYS 186 CO 0.45 0.57 -0.39 0.95 -1.08 0.00 0.00 179.45 179.94 3ieb s THR 187 N -3.32 0.13 -0.15 -0.16 -4.23 -1.20 -4.38 115.64 102.33 3ieb s THR 187 Ca -0.16 -1.10 -0.05 0.00 -1.18 0.00 0.00 61.69 59.21 3ieb s THR 187 Cb -0.00 -1.18 -0.04 0.00 1.34 0.00 0.00 72.50 72.62 3ieb s THR 187 CO 0.61 -0.61 0.03 -0.36 -0.54 0.00 0.00 174.62 173.75 3ieb s PHE 188 N -3.38 3.20 -0.12 3.99 0.40 -1.26 -1.15 117.98 119.66 3ieb s PHE 188 Ca 0.01 0.05 -0.02 0.00 -0.60 0.00 0.00 56.93 56.37 3ieb s PHE 188 Cb 0.03 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.57 3ieb s PHE 188 CO -0.08 0.23 -0.06 0.42 0.70 0.00 0.00 175.22 176.43 3ieb s ILE 189 N -0.06 3.73 0.27 0.64 1.01 -0.64 -1.09 121.20 125.06 3ieb s ILE 189 Ca 0.05 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.29 3ieb s ILE 189 Cb -0.12 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 3ieb s ILE 189 CO 0.02 0.54 0.19 0.00 0.00 0.00 0.00 174.94 175.69 3ieb s ALA 190 N -0.09 1.58 0.00 9.38 0.00 -0.52 -4.40 121.76 127.71 3ieb s ALA 190 Ca 0.01 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.11 3ieb s ALA 190 Cb -0.13 1.39 0.00 0.00 0.00 0.00 0.00 23.12 24.38 3ieb s ALA 190 CO 0.03 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.59 3ieb n GLY 191 N -0.46 0.58 0.30 0.00 0.00 -1.26 -1.22 105.19 103.12 3ieb n GLY 191 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 3ieb n GLY 191 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ieb h ARG 192 N 0.00 0.75 -0.36 1.61 2.47 -1.93 -2.49 114.38 114.42 3ieb h ARG 192 Ca 0.00 -0.12 0.10 0.00 -1.26 0.00 0.00 59.98 58.70 3ieb h ARG 192 Cb 0.00 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.18 3ieb h ARG 192 CO 0.00 0.64 0.39 0.00 0.56 0.00 0.00 179.97 181.56 3ieb h ALA 193 N 1.46 2.05 0.00 0.04 0.00 -1.96 -0.81 119.26 120.03 3ieb h ALA 193 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ieb h ALA 193 Cb 0.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ieb h ALA 193 CO -0.01 -0.58 -1.47 1.28 0.00 0.00 0.00 179.25 178.46 3ieb n LEU 194 N -3.73 0.47 -5.00 0.00 4.77 -0.95 -4.27 117.00 108.29 3ieb n LEU 194 Ca 0.06 -0.18 -0.21 0.00 -0.03 0.00 0.00 56.01 55.65 3ieb n LEU 194 Cb 0.56 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.70 3ieb n LEU 194 CO 0.27 0.09 0.41 0.00 -1.33 0.00 0.00 177.39 176.84 3ieb s ALA 195 N -3.28 4.13 0.00 -1.18 0.00 -0.31 -4.37 121.76 116.74 3ieb s ALA 195 Ca -0.00 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.19 3ieb s ALA 195 Cb 0.15 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.45 3ieb s ALA 195 CO 0.88 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 176.03 3ieb n GLY 196 N -2.46 1.43 0.18 0.00 0.00 -1.26 -3.53 105.19 99.55 3ieb n GLY 196 Ca 0.13 -0.47 -0.06 0.00 0.00 0.00 0.00 46.02 45.63 3ieb n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ieb h ALA 197 N -0.43 -0.55 -0.55 4.61 0.00 -1.95 -2.73 119.26 117.66 3ieb h ALA 197 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3ieb h ALA 197 Cb 0.00 0.81 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3ieb h ALA 197 CO 0.00 -0.65 0.03 0.39 0.00 0.00 0.00 179.25 179.02 3ieb n GLU 198 N -3.74 4.51 -0.17 0.00 1.02 -1.26 -4.64 120.64 116.35 3ieb n GLU 198 Ca -0.02 -3.12 -0.04 0.00 -0.02 0.00 0.00 57.16 53.95 3ieb n GLU 198 Cb 0.14 -2.21 0.05 0.00 -0.02 0.00 0.00 31.44 29.41 3ieb n GLU 198 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3ieb h GLY 199 N 3.54 0.73 1.22 0.62 0.00 -1.53 -1.38 103.07 106.28 3ieb h GLY 199 Ca 0.03 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 3ieb h GLY 199 CO 0.48 0.13 0.08 -1.61 0.00 0.00 0.00 176.54 175.63 3ieb h GLN 200 N 0.54 0.96 -0.47 4.80 4.15 -1.81 -0.41 115.11 122.86 3ieb h GLN 200 Ca 0.23 -0.24 -0.08 0.00 0.77 0.00 0.00 58.65 59.33 3ieb h GLN 200 Cb 0.11 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3ieb h GLN 200 CO -0.15 0.90 -0.00 0.37 -1.93 0.00 0.00 178.83 178.02 3ieb h GLN 201 N 0.90 0.83 -0.48 1.69 4.15 -1.76 -1.81 115.11 118.64 3ieb h GLN 201 Ca 0.18 -0.27 0.01 0.00 0.77 0.00 0.00 58.65 59.34 3ieb h GLN 201 Cb 0.41 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 3ieb h GLN 201 CO 0.01 0.88 0.31 1.15 -1.93 0.00 0.00 178.83 179.26 3ieb h THR 202 N 0.68 1.12 -0.24 2.39 2.02 -0.89 -0.30 112.91 117.70 3ieb h THR 202 Ca 0.13 -0.22 0.04 0.00 0.77 0.00 0.00 66.41 67.13 3ieb h THR 202 Cb 0.51 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 3ieb h THR 202 CO 0.02 0.12 -0.00 0.00 0.37 0.00 0.00 175.52 176.03 3ieb h ALA 203 N 1.18 0.21 -0.58 6.16 0.00 -0.81 1.00 119.26 126.41 3ieb h ALA 203 Ca 0.17 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3ieb h ALA 203 Cb -0.07 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3ieb h ALA 203 CO -0.04 -0.42 0.35 0.00 0.00 0.00 0.00 179.25 179.14 3ieb h ALA 204 N 1.20 0.75 -0.80 0.00 0.00 -0.98 -0.41 119.26 119.02 3ieb h ALA 204 Ca 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3ieb h ALA 204 Cb 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3ieb h ALA 204 CO -0.19 0.08 0.38 0.00 0.00 0.00 0.00 179.25 179.52 3ieb h ALA 205 N 1.26 1.04 0.28 0.00 0.00 -0.38 0.64 119.26 122.09 3ieb h ALA 205 Ca 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ieb h ALA 205 Cb 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3ieb h ALA 205 CO -0.10 0.60 -0.14 -0.07 0.00 0.00 0.00 179.25 179.54 3ieb h LEU 206 N 1.14 -0.35 -0.85 0.00 3.38 -0.45 -2.47 115.31 115.72 3ieb h LEU 206 Ca 0.28 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.34 3ieb h LEU 206 Cb 0.12 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 3ieb h LEU 206 CO -0.03 -0.24 0.51 0.03 0.09 0.00 0.00 178.44 178.80 3ieb h ARG 207 N -0.39 0.87 -0.74 1.13 3.08 -0.62 -1.62 114.38 116.09 3ieb h ARG 207 Ca -0.03 -0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.05 3ieb h ARG 207 Cb 0.31 -0.20 -0.07 0.00 0.08 0.00 0.00 29.97 30.10 3ieb h ARG 207 CO 0.05 0.57 0.40 1.49 -1.07 0.00 0.00 179.97 181.41 3ieb h GLU 208 N 0.89 0.67 -0.40 0.04 4.81 -0.63 0.08 114.58 120.04 3ieb h GLU 208 Ca 0.39 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.46 3ieb h GLU 208 Cb 0.27 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3ieb h GLU 208 CO -0.21 0.44 -0.22 1.96 -0.73 0.00 0.00 179.01 180.25 3ieb h GLN 209 N 0.69 0.86 -0.77 1.92 1.08 -0.93 -2.94 115.11 115.01 3ieb h GLN 209 Ca 0.35 -0.39 0.06 0.00 -1.45 0.00 0.00 58.65 57.22 3ieb h GLN 209 Cb 0.31 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.66 3ieb h GLN 209 CO -0.24 1.03 0.46 0.82 -0.95 0.00 0.00 178.83 179.95 3ieb h ILE 210 N 0.67 1.01 -0.34 2.54 2.04 -0.74 -0.17 117.51 122.52 3ieb h ILE 210 Ca 0.09 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3ieb h ILE 210 Cb 0.79 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3ieb h ILE 210 CO 0.06 0.15 0.17 0.44 0.00 0.00 0.00 178.15 178.98 3ieb h ASP 211 N 0.84 0.40 -0.14 1.72 3.32 -0.88 -0.43 116.42 121.26 3ieb h ASP 211 Ca 0.34 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.33 3ieb h ASP 211 Cb 0.17 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3ieb h ASP 211 CO -0.17 0.34 -0.01 0.03 -1.72 0.00 0.00 179.24 177.70 3ieb h ARG 212 N 0.46 0.37 0.00 3.56 3.08 -0.85 -3.35 114.38 117.64 3ieb h ARG 212 Ca 0.12 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3ieb h ARG 212 Cb 0.03 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3ieb h ARG 212 CO -0.02 0.41 -0.28 1.19 -1.07 0.00 0.00 179.97 180.20 3ieb n PHE 213 N -4.33 0.00 -4.42 3.04 3.72 -0.58 -5.00 117.46 109.89 3ieb n PHE 213 Ca 0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.16 3ieb n PHE 213 Cb 0.21 -0.01 -0.13 0.00 -0.94 0.00 0.00 39.48 38.61 3ieb n PHE 213 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3ieb s TRP 214 N -1.45 1.81 0.00 1.38 0.51 -0.28 -4.63 118.94 116.28 3ieb s TRP 214 Ca 0.01 -0.40 0.00 0.00 -2.12 0.00 0.00 56.10 53.59 3ieb s TRP 214 Cb 0.03 -1.02 0.00 0.00 -0.81 0.00 0.00 33.47 31.67 3ieb s TRP 214 CO 0.16 0.17 0.00 -2.30 -0.51 0.00 0.00 176.95 174.47