#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ib0 s GLU 18 N 0.00 0.49 0.41 -1.46 0.41 -1.26 -5.02 118.70 112.27 2ib0 s GLU 18 Ca 0.00 0.22 0.20 0.00 -0.41 0.00 0.00 54.97 54.98 2ib0 s GLU 18 Cb 0.00 0.23 0.84 0.00 -1.78 0.00 0.00 34.13 33.42 2ib0 s GLU 18 CO 0.00 -0.10 1.81 0.78 -0.49 0.00 0.00 175.26 177.26 2ib0 h GLY 19 N 4.97 0.00 1.21 -1.39 0.00 -1.99 -2.60 103.07 103.27 2ib0 h GLY 19 Ca -0.28 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.89 2ib0 h GLY 19 CO 0.33 0.00 -0.47 0.23 0.00 0.00 0.00 176.54 176.64 2ib0 h SER 20 N 0.00 0.92 0.01 0.19 0.87 -1.98 -1.23 113.55 112.32 2ib0 h SER 20 Ca -0.00 -0.45 -0.09 0.00 -1.23 0.00 0.00 61.79 60.01 2ib0 h SER 20 Cb 0.76 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2ib0 h SER 20 CO 0.04 1.24 -0.27 0.00 -0.53 0.00 0.00 176.83 177.30 2ib0 h ALA 21 N 0.79 1.14 0.13 6.23 0.00 -1.89 -2.42 119.26 123.23 2ib0 h ALA 21 Ca 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2ib0 h ALA 21 Cb 1.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2ib0 h ALA 21 CO 0.11 0.55 -0.06 0.22 0.00 0.00 0.00 179.25 180.06 2ib0 h ASP 22 N 0.36 -0.14 -0.08 0.00 1.82 -1.32 -2.48 116.42 114.58 2ib0 h ASP 22 Ca 0.05 -0.32 0.01 0.00 -0.39 0.00 0.00 57.03 56.39 2ib0 h ASP 22 Cb 0.67 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.70 2ib0 h ASP 22 CO 0.05 0.26 -0.01 0.78 -1.61 0.00 0.00 179.24 178.71 2ib0 h ASN 23 N -0.57 -0.05 -0.56 2.28 2.35 -1.26 -2.10 115.58 115.67 2ib0 h ASN 23 Ca -0.02 0.02 0.07 0.00 -0.55 0.00 0.00 56.30 55.82 2ib0 h ASN 23 Cb 0.45 0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.80 2ib0 h ASN 23 CO 0.03 -0.01 0.24 0.00 -1.65 0.00 0.00 177.43 176.04 2ib0 h ALA 24 N 1.08 0.72 -0.58 -0.83 0.00 -1.50 -0.35 119.26 117.79 2ib0 h ALA 24 Ca 0.04 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2ib0 h ALA 24 Cb 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2ib0 h ALA 24 CO -0.08 -0.14 0.08 0.00 0.00 0.00 0.00 179.25 179.12 2ib0 h ALA 25 N 1.35 0.78 -0.40 0.00 0.00 -1.28 -1.09 119.26 118.62 2ib0 h ALA 25 Ca 0.27 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2ib0 h ALA 25 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2ib0 h ALA 25 CO -0.23 0.54 -0.32 1.25 0.00 0.00 0.00 179.25 180.49 2ib0 h LEU 26 N 0.87 0.96 -0.80 0.00 5.85 -1.13 -1.76 115.31 119.31 2ib0 h LEU 26 Ca 0.18 -0.45 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 2ib0 h LEU 26 Cb 0.44 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 2ib0 h LEU 26 CO 0.01 1.21 0.41 0.00 -0.34 0.00 0.00 178.44 179.73 2ib0 h ASP 28 N 1.12 1.00 -0.41 0.00 3.32 -1.06 -0.54 116.42 119.84 2ib0 h ASP 28 Ca 0.28 -0.06 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 2ib0 h ASP 28 Cb 0.08 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2ib0 h ASP 28 CO -0.04 0.76 -0.34 0.00 -1.72 0.00 0.00 179.24 177.90 2ib0 h ALA 29 N 1.28 0.60 -0.62 3.45 0.00 -0.94 -1.16 119.26 121.87 2ib0 h ALA 29 Ca 0.30 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2ib0 h ALA 29 Cb -0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2ib0 h ALA 29 CO -0.06 0.68 0.34 1.25 0.00 0.00 0.00 179.25 181.46 2ib0 h LEU 30 N 0.80 0.77 -0.69 0.00 5.85 -0.88 -0.21 115.31 120.96 2ib0 h LEU 30 Ca 0.07 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.74 2ib0 h LEU 30 Cb 0.94 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 2ib0 h LEU 30 CO 0.09 0.65 0.41 0.00 -0.34 0.00 0.00 178.44 179.25 2ib0 h ALA 31 N 1.16 0.91 -0.38 1.25 0.00 -0.84 -0.32 119.26 121.04 2ib0 h ALA 31 Ca 0.22 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2ib0 h ALA 31 Cb 0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2ib0 h ALA 31 CO -0.03 0.15 0.19 0.28 0.00 0.00 0.00 179.25 179.83 2ib0 h VAL 32 N 0.79 0.98 -0.31 0.00 2.07 -0.92 -2.12 116.25 116.74 2ib0 h VAL 32 Ca 0.29 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.70 2ib0 h VAL 32 Cb 0.09 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2ib0 h VAL 32 CO -0.14 0.07 0.14 -0.33 0.02 0.00 0.00 177.57 177.33 2ib0 h GLU 33 N 0.38 0.29 -0.15 1.57 4.39 -0.27 -0.24 114.58 120.55 2ib0 h GLU 33 Ca 0.16 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.89 2ib0 h GLU 33 Cb 0.07 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 2ib0 h GLU 33 CO -0.11 0.19 -0.27 0.45 -1.16 0.00 0.00 179.01 178.11 2ib0 h HIS 34 N 0.29 -0.74 -0.43 4.33 3.86 -0.93 -1.40 115.15 120.13 2ib0 h HIS 34 Ca 0.13 0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.44 2ib0 h HIS 34 Cb 0.06 0.35 -0.06 0.00 1.06 0.00 0.00 27.41 28.82 2ib0 h HIS 34 CO -0.11 -0.35 0.08 0.00 0.86 0.00 0.00 177.93 178.41 2ib0 h ALA 35 N 0.58 0.46 -0.56 2.45 0.00 -0.99 -2.45 119.26 118.76 2ib0 h ALA 35 Ca 0.11 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2ib0 h ALA 35 Cb 0.49 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 2ib0 h ALA 35 CO -0.34 -0.32 0.27 1.15 0.00 0.00 0.00 179.25 180.02 2ib0 h THR 36 N 0.21 0.92 -0.58 0.00 2.02 -0.85 0.23 112.91 114.86 2ib0 h THR 36 Ca 0.21 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 2ib0 h THR 36 Cb 0.26 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2ib0 h THR 36 CO -0.28 0.09 0.27 0.40 0.37 0.00 0.00 175.52 176.38 2ib0 h ILE 37 N 0.52 1.21 -0.62 3.11 2.04 -1.19 0.12 117.51 122.70 2ib0 h ILE 37 Ca 0.25 -0.62 0.04 0.00 1.00 0.00 0.00 64.86 65.54 2ib0 h ILE 37 Cb 0.19 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 2ib0 h ILE 37 CO -0.19 0.25 0.35 0.22 0.00 0.00 0.00 178.15 178.78 2ib0 h TYR 38 N 0.80 0.65 -0.29 1.37 3.20 -1.20 -2.72 116.97 118.78 2ib0 h TYR 38 Ca 0.20 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.03 2ib0 h TYR 38 Cb 0.14 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 2ib0 h TYR 38 CO 0.00 0.34 -0.10 0.78 -1.64 0.00 0.00 178.16 177.54 2ib0 h GLY 39 N 0.67 0.52 2.00 1.82 0.00 -0.24 -1.93 103.07 105.91 2ib0 h GLY 39 Ca 0.26 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2ib0 h GLY 39 CO -0.15 0.32 0.00 -0.97 0.00 0.00 0.00 176.54 175.74 2ib0 h TYR 40 N 0.45 0.00 -0.69 5.60 -1.99 -0.47 -1.45 116.97 118.42 2ib0 h TYR 40 Ca 0.09 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.74 2ib0 h TYR 40 Cb 0.45 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.15 2ib0 h TYR 40 CO 0.01 0.00 0.15 0.78 -0.00 0.00 0.00 178.16 179.10 2ib0 h GLY 41 N 1.81 1.21 1.24 3.88 0.00 -1.23 0.48 103.07 110.45 2ib0 h GLY 41 Ca 0.00 -0.78 -0.24 0.00 0.00 0.00 0.00 47.33 46.32 2ib0 h GLY 41 CO 0.00 0.72 -0.87 -2.22 0.00 0.00 0.00 176.54 174.17 2ib0 h ILE 42 N 1.06 1.29 -0.27 2.60 5.03 -1.45 -2.22 117.51 123.54 2ib0 h ILE 42 Ca 0.22 -2.09 0.04 0.00 -0.12 0.00 0.00 64.86 62.90 2ib0 h ILE 42 Cb 0.40 2.13 -0.04 0.00 -3.03 0.00 0.00 36.82 36.29 2ib0 h ILE 42 CO 0.01 0.65 0.05 0.58 -0.68 0.00 0.00 178.15 178.76 2ib0 h VAL 43 N 0.46 0.87 0.03 1.67 2.07 -1.20 -1.86 116.25 118.28 2ib0 h VAL 43 Ca -0.08 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.42 2ib0 h VAL 43 Cb 1.50 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 2ib0 h VAL 43 CO 0.17 0.03 -0.23 -1.28 0.02 0.00 0.00 177.57 176.28 2ib0 h SER 44 N 0.15 -0.68 -0.74 0.57 0.87 -0.93 -1.42 113.55 111.37 2ib0 h SER 44 Ca 0.13 0.09 0.07 0.00 -1.23 0.00 0.00 61.79 60.84 2ib0 h SER 44 Cb 0.13 0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 62.32 2ib0 h SER 44 CO -0.17 -0.31 0.48 0.00 -0.53 0.00 0.00 176.83 176.31 2ib0 h ALA 45 N 0.45 1.71 0.00 6.23 0.00 -1.15 -2.71 119.26 123.79 2ib0 h ALA 45 Ca 0.05 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2ib0 h ALA 45 Cb 0.45 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2ib0 h ALA 45 CO -0.19 0.17 -1.07 -0.07 0.00 0.00 0.00 179.25 178.09 2ib0 h LEU 46 N 0.75 0.00-10.01 0.00 3.38 -1.14 -3.48 115.31 104.82 2ib0 h LEU 46 Ca 0.32 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.82 2ib0 h LEU 46 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2ib0 h LEU 46 CO -0.11 0.46 0.24 -0.44 0.09 0.00 0.00 178.44 178.67 2ib0 s SER 47 N -5.91 6.94 0.86 -0.43 0.01 -0.55 -3.78 113.70 110.84 2ib0 s SER 47 Ca -0.00 1.54 -0.11 0.00 1.31 0.00 0.00 55.95 58.69 2ib0 s SER 47 Cb 0.08 -2.48 0.11 0.00 0.21 0.00 0.00 66.02 63.95 2ib0 s SER 47 CO 0.79 -0.24 1.10 -2.16 0.41 0.00 0.00 173.24 173.14 2ib0 s PRO 48 N -2.87 1.52 0.37 12.44 0.04 -1.26 -4.96 135.00 140.28 2ib0 s PRO 48 Ca 0.56 1.05 0.13 0.00 0.04 0.00 0.00 61.00 62.79 2ib0 s PRO 48 Cb -0.11 -1.82 0.96 0.00 0.04 0.00 0.00 34.50 33.57 2ib0 s PRO 48 CO 0.16 -2.12 1.80 -1.35 0.04 0.00 0.00 177.00 175.53 2ib0 h PRO 49 N -1.47 0.52 0.00 0.56 0.11 -1.97 -2.89 132.00 126.86 2ib0 h PRO 49 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2ib0 h PRO 49 Cb 1.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2ib0 h PRO 49 CO 0.51 0.34 0.08 0.78 -0.21 0.00 0.00 178.00 179.51 2ib0 h GLY 50 N 0.54 0.00 -1.56 -0.55 0.00 -2.05 -1.31 103.07 98.14 2ib0 h GLY 50 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 2ib0 h GLY 50 CO -0.30 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.57 2ib0 n VAL 51 N -2.60 1.96 -0.32 4.60 0.24 -1.09 -4.75 118.33 116.37 2ib0 n VAL 51 Ca -0.02 -1.64 -0.03 0.00 -2.04 0.00 0.00 64.34 60.61 2ib0 n VAL 51 Cb 0.12 -0.05 0.09 0.00 -1.47 0.00 0.00 33.84 32.53 2ib0 n VAL 51 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 2ib0 h ASN 52 N 1.92 1.00 -0.04 -1.34 2.35 -1.35 -1.79 115.58 116.32 2ib0 h ASN 52 Ca 0.00 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.61 2ib0 h ASN 52 Cb 1.27 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 2ib0 h ASN 52 CO 0.17 0.72 -0.34 -0.26 -1.65 0.00 0.00 177.43 176.07 2ib0 h PHE 53 N 1.18 0.60 -0.40 1.19 -1.00 -1.85 -0.63 116.94 116.03 2ib0 h PHE 53 Ca 0.32 -0.15 -0.03 0.00 2.81 0.00 0.00 57.97 60.93 2ib0 h PHE 53 Cb -0.12 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.28 2ib0 h PHE 53 CO -0.01 0.79 0.15 1.25 -1.61 0.00 0.00 178.31 178.88 2ib0 h LEU 54 N 0.44 0.56 -0.03 1.54 5.85 -1.74 -0.09 115.31 121.85 2ib0 h LEU 54 Ca 0.05 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 2ib0 h LEU 54 Cb 0.80 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 2ib0 h LEU 54 CO 0.07 0.59 0.01 0.58 -0.34 0.00 0.00 178.44 179.34 2ib0 h VAL 55 N 0.50 1.19 -0.89 1.05 2.07 -1.15 -0.85 116.25 118.16 2ib0 h VAL 55 Ca 0.13 -0.56 0.07 0.00 0.82 0.00 0.00 66.70 67.16 2ib0 h VAL 55 Cb 0.21 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 2ib0 h VAL 55 CO -0.01 0.15 0.56 0.00 0.02 0.00 0.00 177.57 178.29 2ib0 h ALA 56 N 0.79 1.24 -0.07 1.67 0.00 -1.12 -0.30 119.26 121.46 2ib0 h ALA 56 Ca 0.01 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2ib0 h ALA 56 Cb 0.24 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2ib0 h ALA 56 CO 0.00 0.30 -0.04 -0.44 0.00 0.00 0.00 179.25 179.07 2ib0 h ASP 57 N 1.01 -0.13 -0.43 0.00 5.19 -0.81 -2.14 116.42 119.10 2ib0 h ASP 57 Ca 0.39 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.80 2ib0 h ASP 57 Cb 0.19 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 2ib0 h ASP 57 CO -0.18 -0.06 0.13 0.00 -3.12 0.00 0.00 179.24 176.02 2ib0 h ALA 58 N 1.03 0.56 -0.53 3.45 0.00 -0.73 -2.19 119.26 120.84 2ib0 h ALA 58 Ca 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2ib0 h ALA 58 Cb 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2ib0 h ALA 58 CO -0.10 0.21 0.27 -0.07 0.00 0.00 0.00 179.25 179.56 2ib0 h LEU 59 N 0.55 0.69 -0.55 0.00 3.38 -1.05 -1.13 115.31 117.20 2ib0 h LEU 59 Ca 0.14 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2ib0 h LEU 59 Cb 0.26 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2ib0 h LEU 59 CO -0.00 0.61 0.04 0.50 0.09 0.00 0.00 178.44 179.68 2ib0 h LYS 60 N 0.71 0.94 -0.33 1.13 3.64 -1.38 -0.47 116.57 120.82 2ib0 h LYS 60 Ca 0.18 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2ib0 h LYS 60 Cb 0.09 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2ib0 h LYS 60 CO -0.03 0.93 0.17 0.37 -2.27 0.00 0.00 179.45 178.63 2ib0 h GLN 61 N 0.82 0.46 -0.35 1.90 4.15 -1.24 -1.84 115.11 119.02 2ib0 h GLN 61 Ca 0.16 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.38 2ib0 h GLN 61 Cb 0.48 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 2ib0 h GLN 61 CO 0.02 0.40 -0.36 0.45 -1.93 0.00 0.00 178.83 177.41 2ib0 h HIS 62 N 0.40 0.95 -0.16 3.99 3.86 -1.12 -1.70 115.15 121.37 2ib0 h HIS 62 Ca 0.11 -0.27 -0.05 0.00 -1.16 0.00 0.00 60.37 59.01 2ib0 h HIS 62 Cb 0.08 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 2ib0 h HIS 62 CO -0.03 1.04 -0.09 0.00 0.86 0.00 0.00 177.93 179.72 2ib0 h ARG 63 N 0.67 0.34 -0.51 2.45 3.08 -0.99 -0.50 114.38 118.92 2ib0 h ARG 63 Ca 0.06 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 59.97 2ib0 h ARG 63 Cb 0.91 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 2ib0 h ARG 63 CO 0.08 0.67 0.33 0.45 -1.07 0.00 0.00 179.97 180.43 2ib0 h HIS 64 N 0.00 0.63 -0.50 3.04 3.86 -1.35 -1.51 115.15 119.32 2ib0 h HIS 64 Ca 0.03 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 2ib0 h HIS 64 Cb 0.58 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 2ib0 h HIS 64 CO 0.07 0.39 0.23 -0.09 0.86 0.00 0.00 177.93 179.39 2ib0 h ARG 65 N 0.67 0.74 -0.10 2.45 2.43 -1.19 -1.46 114.38 117.92 2ib0 h ARG 65 Ca 0.19 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 2ib0 h ARG 65 Cb -0.06 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 2ib0 h ARG 65 CO -0.05 0.63 -0.15 -0.09 -1.51 0.00 0.00 179.97 178.80 2ib0 h ARG 66 N 0.67 -0.19 -0.54 0.20 2.43 -0.90 -0.72 114.38 115.34 2ib0 h ARG 66 Ca 0.17 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.39 2ib0 h ARG 66 Cb 0.15 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 2ib0 h ARG 66 CO -0.02 -0.12 0.31 -0.44 -1.51 0.00 0.00 179.97 178.18 2ib0 h ASP 67 N -0.19 0.48 -0.91 -3.80 3.32 -1.04 -0.63 116.42 113.64 2ib0 h ASP 67 Ca 0.08 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2ib0 h ASP 67 Cb 0.32 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 2ib0 h ASP 67 CO -0.22 0.33 0.59 0.44 -1.72 0.00 0.00 179.24 178.66 2ib0 h ASP 68 N 0.60 1.06 -0.46 6.45 3.32 -1.06 -2.50 116.42 123.83 2ib0 h ASP 68 Ca 0.22 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 2ib0 h ASP 68 Cb 0.07 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 2ib0 h ASP 68 CO -0.12 0.78 0.04 0.58 -1.72 0.00 0.00 179.24 178.80 2ib0 h VAL 69 N 1.24 1.25 -0.75 -1.35 2.07 -0.64 -1.43 116.25 116.65 2ib0 h VAL 69 Ca 0.33 -0.98 0.11 0.00 0.82 0.00 0.00 66.70 66.98 2ib0 h VAL 69 Cb -0.12 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 2ib0 h VAL 69 CO -0.07 0.34 0.36 0.40 0.02 0.00 0.00 177.57 178.62 2ib0 h ILE 70 N 0.64 0.79 -0.65 4.57 2.04 -0.96 -0.45 117.51 123.48 2ib0 h ILE 70 Ca 0.13 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 2ib0 h ILE 70 Cb 0.44 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 2ib0 h ILE 70 CO 0.02 0.11 0.33 0.58 0.00 0.00 0.00 178.15 179.18 2ib0 h VAL 71 N 0.58 1.22 -0.38 1.67 2.07 -1.21 -2.00 116.25 118.20 2ib0 h VAL 71 Ca 0.39 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 2ib0 h VAL 71 Cb 0.47 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2ib0 h VAL 71 CO -0.31 0.25 0.09 0.24 0.02 0.00 0.00 177.57 177.86 2ib0 h MET 72 N 0.90 0.60 -0.78 1.57 2.86 -0.25 -1.81 114.93 118.02 2ib0 h MET 72 Ca 0.23 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2ib0 h MET 72 Cb 0.09 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 2ib0 h MET 72 CO -0.03 0.63 0.47 -0.07 1.06 0.00 0.00 176.91 178.97 2ib0 h LEU 73 N 0.46 0.93 -0.85 1.22 3.38 -1.05 -2.06 115.31 117.34 2ib0 h LEU 73 Ca 0.12 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2ib0 h LEU 73 Cb 0.30 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2ib0 h LEU 73 CO 0.00 0.72 0.21 0.28 0.09 0.00 0.00 178.44 179.74 2ib0 h SER 74 N 1.06 0.99 -0.78 -0.43 0.02 -1.17 -0.98 113.55 112.26 2ib0 h SER 74 Ca 0.28 -0.18 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 2ib0 h SER 74 Cb -0.04 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.20 2ib0 h SER 74 CO -0.05 0.92 0.51 0.00 -1.14 0.00 0.00 176.83 177.07 2ib0 h ALA 75 N 1.21 1.51 0.00 3.77 0.00 -1.16 -1.89 119.26 122.70 2ib0 h ALA 75 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2ib0 h ALA 75 Cb 0.30 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2ib0 h ALA 75 CO -0.01 0.42 0.00 0.54 0.00 0.00 0.00 179.25 180.20 2ib0 n ARG 76 N -4.44 0.21 -1.03 0.00 1.74 -0.72 -4.91 116.66 107.49 2ib0 n ARG 76 Ca 0.10 0.42 -0.01 0.00 -0.77 0.00 0.00 57.85 57.58 2ib0 n ARG 76 Cb 0.10 -1.88 -0.00 0.00 -1.02 0.00 0.00 32.46 29.65 2ib0 n ARG 76 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ib0 n GLY 77 N 0.08 0.49 3.70 -0.13 0.00 -0.71 -5.05 105.19 103.57 2ib0 n GLY 77 Ca 0.02 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 2ib0 n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ib0 s VAL 78 N -2.02 5.37 -0.17 1.61 1.01 -0.45 -5.00 120.40 120.74 2ib0 s VAL 78 Ca 0.00 0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 2ib0 s VAL 78 Cb 0.00 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2ib0 s VAL 78 CO 0.00 0.39 1.36 0.42 0.00 0.00 0.00 175.10 177.26 2ib0 s THR 79 N 0.69 4.11 0.46 3.92 -4.23 -1.26 -3.66 115.64 115.67 2ib0 s THR 79 Ca 0.10 1.32 -0.25 0.00 -1.18 0.00 0.00 61.69 61.68 2ib0 s THR 79 Cb -0.12 -3.92 -0.08 0.00 1.34 0.00 0.00 72.50 69.72 2ib0 s THR 79 CO 0.02 -0.19 1.43 0.00 -0.54 0.00 0.00 174.62 175.34 2ib0 s ALA 80 N 3.85 3.20 0.37 3.99 0.00 -1.26 -4.98 121.76 126.93 2ib0 s ALA 80 Ca 0.59 1.48 -0.26 0.00 0.00 0.00 0.00 51.96 53.77 2ib0 s ALA 80 Cb -0.23 -3.60 -0.12 0.00 0.00 0.00 0.00 23.12 19.18 2ib0 s ALA 80 CO 0.19 -1.25 1.08 -2.30 0.00 0.00 0.00 175.76 173.49 2ib0 n PRO 81 N -0.30 1.55 -3.84 0.00 -0.02 -1.26 -5.03 135.00 126.09 2ib0 n PRO 81 Ca 0.06 0.55 -0.21 0.00 -2.02 0.00 0.00 63.50 61.88 2ib0 n PRO 81 Cb 0.42 -2.07 -0.02 0.00 -0.02 0.00 0.00 33.50 31.80 2ib0 n PRO 81 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2ib0 s ILE 82 N -1.18 4.38 0.48 4.25 -4.36 -1.26 -4.92 121.20 118.60 2ib0 s ILE 82 Ca 0.60 -1.17 -0.22 0.00 -0.26 0.00 0.00 60.65 59.60 2ib0 s ILE 82 Cb -0.59 -3.49 -0.07 0.00 1.25 0.00 0.00 42.46 39.56 2ib0 s ILE 82 CO 0.59 -0.26 1.19 0.00 0.24 0.00 0.00 174.94 176.70 2ib0 s ALA 83 N -2.14 2.91 0.63 2.27 0.00 -1.26 -5.01 121.76 119.16 2ib0 s ALA 83 Ca 0.38 0.99 -0.15 0.00 0.00 0.00 0.00 51.96 53.18 2ib0 s ALA 83 Cb -0.08 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 2ib0 s ALA 83 CO 0.28 -0.79 1.07 0.00 0.00 0.00 0.00 175.76 176.32 2ib0 s ALA 84 N -1.53 2.64 -0.43 0.00 0.00 -1.26 -4.92 121.76 116.26 2ib0 s ALA 84 Ca 0.66 0.41 0.23 0.00 0.00 0.00 0.00 51.96 53.26 2ib0 s ALA 84 Cb -0.30 -3.25 1.01 0.00 0.00 0.00 0.00 23.12 20.58 2ib0 s ALA 84 CO 0.36 -1.01 1.70 0.00 0.00 0.00 0.00 175.76 176.82 2ib0 n ALA 85 N -2.28 1.56 -3.61 0.00 0.00 -1.26 -4.82 120.51 110.10 2ib0 n ALA 85 Ca 0.09 0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.57 2ib0 n ALA 85 Cb 0.53 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 2ib0 n ALA 85 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ib0 s GLY 86 N -3.55 -0.11 0.09 0.00 0.00 -1.26 -5.18 107.32 97.31 2ib0 s GLY 86 Ca 0.03 2.41 0.07 0.00 0.00 0.00 0.00 44.72 47.24 2ib0 s GLY 86 CO 0.36 1.13 -0.18 -0.19 0.00 0.00 0.00 173.10 174.22 2ib0 s TYR 87 N -0.97 1.59 -0.20 1.90 2.02 -1.26 -5.12 117.35 115.30 2ib0 s TYR 87 Ca 0.03 -0.43 -0.27 0.00 -0.37 0.00 0.00 57.07 56.03 2ib0 s TYR 87 Cb -0.01 -0.88 -0.00 0.00 -0.40 0.00 0.00 41.96 40.66 2ib0 s TYR 87 CO -0.03 0.14 0.92 -1.14 -1.57 0.00 0.00 175.55 173.87 2ib0 s GLN 88 N -1.78 4.26 0.51 -0.62 2.00 -1.26 -5.05 119.66 117.73 2ib0 s GLN 88 Ca 0.04 1.15 -0.21 0.00 -2.00 0.00 0.00 55.36 54.34 2ib0 s GLN 88 Cb -0.10 -3.61 -0.07 0.00 0.80 0.00 0.00 33.01 30.03 2ib0 s GLN 88 CO 0.03 -0.48 1.14 -0.51 -0.50 0.00 0.00 175.29 174.97 2ib0 s LEU 89 N 2.69 3.86 0.00 3.68 1.43 -1.26 -4.91 118.68 124.17 2ib0 s LEU 89 Ca 0.40 2.23 0.21 0.00 -1.03 0.00 0.00 54.13 55.94 2ib0 s LEU 89 Cb -0.16 -4.44 1.03 0.00 0.03 0.00 0.00 46.19 42.65 2ib0 s LEU 89 CO 0.09 -1.09 1.68 -0.81 0.23 0.00 0.00 176.35 176.45 2ib0 n PRO 90 N -0.96 0.22 -3.84 1.29 -0.04 -1.26 -4.71 135.00 125.71 2ib0 n PRO 90 Ca 0.10 0.10 -0.11 0.00 -0.04 0.00 0.00 63.50 63.55 2ib0 n PRO 90 Cb 0.50 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 2ib0 n PRO 90 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ib0 s MET 91 N -2.68 0.70 0.41 0.54 0.23 -1.26 -5.16 119.30 112.08 2ib0 s MET 91 Ca 0.18 -0.61 -0.24 0.00 -1.03 0.00 0.00 55.69 53.99 2ib0 s MET 91 Cb 0.14 0.29 -0.09 0.00 -1.53 0.00 0.00 34.83 33.65 2ib0 s MET 91 CO 0.34 -0.21 1.06 -0.65 -2.03 0.00 0.00 175.02 173.54 2ib0 s GLN 92 N -2.55 4.09 0.02 3.16 -0.21 -1.26 -5.07 119.66 117.84 2ib0 s GLN 92 Ca -0.05 1.54 0.01 0.00 0.02 0.00 0.00 55.36 56.88 2ib0 s GLN 92 Cb -0.01 -2.50 -0.01 0.00 1.00 0.00 0.00 33.01 31.49 2ib0 s GLN 92 CO -0.04 -0.21 -0.05 0.14 -2.12 0.00 0.00 175.29 173.01 2ib0 s VAL 93 N -1.66 0.34 0.00 1.09 -7.23 -1.26 -5.03 120.40 106.65 2ib0 s VAL 93 Ca 0.59 -0.68 0.00 0.00 -1.81 0.00 0.00 61.98 60.08 2ib0 s VAL 93 Cb -0.22 -0.38 0.00 0.00 0.56 0.00 0.00 36.38 36.33 2ib0 s VAL 93 CO 0.28 -0.23 0.35 -1.54 -0.31 0.00 0.00 175.10 173.65 2ib0 n SER 94 N 2.09 0.00 -3.76 4.85 3.41 -1.26 -5.10 113.62 113.85 2ib0 n SER 94 Ca -0.19 -1.09 -0.12 0.00 -0.26 0.00 0.00 58.87 57.22 2ib0 n SER 94 Cb 0.56 -0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.42 2ib0 n SER 94 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2ib0 s SER 95 N -0.09 -0.13 0.33 4.04 0.01 -1.26 -5.01 113.70 111.59 2ib0 s SER 95 Ca 0.00 -0.14 0.03 0.00 1.31 0.00 0.00 55.95 57.15 2ib0 s SER 95 Cb 0.00 0.34 0.62 0.00 0.21 0.00 0.00 66.02 67.20 2ib0 s SER 95 CO 0.00 -0.58 1.94 0.00 0.41 0.00 0.00 173.24 175.02 2ib0 h ALA 96 N 3.37 1.59 -0.49 1.44 0.00 -1.99 -2.15 119.26 121.03 2ib0 h ALA 96 Ca -0.31 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 2ib0 h ALA 96 Cb 1.19 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2ib0 h ALA 96 CO 0.45 0.29 -0.05 0.00 0.00 0.00 0.00 179.25 179.94 2ib0 h ALA 97 N 1.56 0.67 -0.64 0.00 0.00 -1.96 -2.28 119.26 116.61 2ib0 h ALA 97 Ca 0.34 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2ib0 h ALA 97 Cb 0.19 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2ib0 h ALA 97 CO -0.12 0.53 0.42 -0.44 0.00 0.00 0.00 179.25 179.64 2ib0 h ASP 98 N 0.76 0.66 -0.45 0.00 3.32 -1.88 -2.64 116.42 116.19 2ib0 h ASP 98 Ca 0.13 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 2ib0 h ASP 98 Cb 0.59 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 2ib0 h ASP 98 CO 0.04 0.46 -0.04 0.00 -1.72 0.00 0.00 179.24 177.97 2ib0 h ALA 99 N 1.62 0.97 -0.52 3.45 0.00 -0.84 -0.66 119.26 123.29 2ib0 h ALA 99 Ca 0.26 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2ib0 h ALA 99 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2ib0 h ALA 99 CO -0.07 0.62 0.23 0.00 0.00 0.00 0.00 179.25 180.03 2ib0 h ALA 100 N 1.14 0.67 -0.50 0.00 0.00 -1.12 -0.97 119.26 118.48 2ib0 h ALA 100 Ca 0.15 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2ib0 h ALA 100 Cb 0.54 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2ib0 h ALA 100 CO 0.03 0.25 -0.01 0.00 0.00 0.00 0.00 179.25 179.52 2ib0 h ARG 101 N 0.69 0.84 -0.41 0.00 3.08 -1.18 -0.53 114.38 116.87 2ib0 h ARG 101 Ca 0.18 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 2ib0 h ARG 101 Cb 0.15 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2ib0 h ARG 101 CO -0.02 0.85 -0.07 1.25 -1.07 0.00 0.00 179.97 180.91 2ib0 h LEU 102 N 0.78 0.77 -0.54 3.04 5.85 -0.94 -1.89 115.31 122.37 2ib0 h LEU 102 Ca 0.15 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 2ib0 h LEU 102 Cb 0.49 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2ib0 h LEU 102 CO 0.02 0.94 0.28 0.00 -0.34 0.00 0.00 178.44 179.35 2ib0 h ALA 103 N 0.86 0.70 -0.35 1.25 0.00 -0.85 -0.92 119.26 119.95 2ib0 h ALA 103 Ca 0.11 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2ib0 h ALA 103 Cb 0.59 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2ib0 h ALA 103 CO 0.04 0.24 0.03 0.28 0.00 0.00 0.00 179.25 179.84 2ib0 h VAL 104 N 0.73 0.78 -0.22 0.00 2.07 -1.03 -0.37 116.25 118.22 2ib0 h VAL 104 Ca 0.19 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 2ib0 h VAL 104 Cb 0.08 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2ib0 h VAL 104 CO -0.03 0.03 0.12 -0.09 0.02 0.00 0.00 177.57 177.62 2ib0 h ARG 105 N 0.14 0.30 -0.38 1.57 2.43 -1.10 -0.42 114.38 116.92 2ib0 h ARG 105 Ca 0.17 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2ib0 h ARG 105 Cb 0.21 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2ib0 h ARG 105 CO -0.25 0.28 0.20 0.52 -1.51 0.00 0.00 179.97 179.21 2ib0 h MET 106 N 0.24 0.54 -0.52 0.20 2.86 -1.03 -0.14 114.93 117.07 2ib0 h MET 106 Ca 0.08 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2ib0 h MET 106 Cb 0.07 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 2ib0 h MET 106 CO -0.01 0.45 0.32 0.93 1.06 0.00 0.00 176.91 179.65 2ib0 h GLU 107 N 0.48 0.70 -0.63 1.72 4.39 -0.94 0.73 114.58 121.05 2ib0 h GLU 107 Ca 0.13 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.80 2ib0 h GLU 107 Cb 0.07 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 2ib0 h GLU 107 CO -0.02 0.51 0.39 -0.91 -1.16 0.00 0.00 179.01 177.81 2ib0 h ASN 108 N 0.70 0.63 -0.89 1.42 2.35 -0.91 -0.23 115.58 118.65 2ib0 h ASN 108 Ca 0.19 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 2ib0 h ASN 108 Cb -0.02 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.18 2ib0 h ASN 108 CO -0.04 0.44 0.49 0.44 -1.65 0.00 0.00 177.43 177.12 2ib0 h ASP 109 N 0.76 1.11 -0.44 5.81 3.32 -0.74 -1.76 116.42 124.48 2ib0 h ASP 109 Ca 0.25 -0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.23 2ib0 h ASP 109 Cb 0.01 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 2ib0 h ASP 109 CO -0.10 0.89 0.24 1.23 -1.72 0.00 0.00 179.24 179.78 2ib0 h GLY 110 N 1.25 0.61 0.54 2.75 0.00 -0.44 -1.91 103.07 105.86 2ib0 h GLY 110 Ca 0.31 -0.18 0.07 0.00 0.00 0.00 0.00 47.33 47.53 2ib0 h GLY 110 CO -0.05 0.14 0.18 0.00 0.00 0.00 0.00 176.54 176.82 2ib0 h ALA 111 N 1.21 0.62 -0.69 3.60 0.00 -0.80 0.31 119.26 123.52 2ib0 h ALA 111 Ca 0.18 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2ib0 h ALA 111 Cb 0.05 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2ib0 h ALA 111 CO -0.10 -0.21 0.40 1.15 0.00 0.00 0.00 179.25 180.49 2ib0 h THR 112 N 0.37 1.21 -0.45 0.00 2.02 -1.24 0.11 112.91 114.92 2ib0 h THR 112 Ca 0.24 -0.49 -0.05 0.00 0.77 0.00 0.00 66.41 66.89 2ib0 h THR 112 Cb 0.25 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 2ib0 h THR 112 CO -0.24 0.22 0.09 0.00 0.37 0.00 0.00 175.52 175.96 2ib0 h ALA 113 N 1.20 0.59 -0.00 6.16 0.00 -1.03 -2.97 119.26 123.21 2ib0 h ALA 113 Ca 0.25 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2ib0 h ALA 113 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2ib0 h ALA 113 CO -0.04 0.30 -0.45 -1.49 0.00 0.00 0.00 179.25 177.57 2ib0 h TRP 114 N 0.60 0.01 -0.13 0.00 4.06 -0.73 -2.87 115.95 116.89 2ib0 h TRP 114 Ca 0.14 -0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.99 2ib0 h TRP 114 Cb 0.35 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.50 2ib0 h TRP 114 CO 0.02 0.45 -0.33 -0.09 -3.56 0.00 0.00 178.44 174.94 2ib0 h ARG 115 N 0.01 0.26 0.00 0.49 2.43 -0.86 -1.10 114.38 115.60 2ib0 h ARG 115 Ca -0.00 -0.10 -0.11 0.00 -0.81 0.00 0.00 59.98 58.95 2ib0 h ARG 115 Cb 0.79 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 2ib0 h ARG 115 CO 0.06 0.56 -0.54 0.00 -1.51 0.00 0.00 179.97 178.54 2ib0 h ALA 116 N 1.44 0.95 -0.12 2.80 0.00 -1.36 -1.69 119.26 121.27 2ib0 h ALA 116 Ca 0.03 -0.49 -0.23 0.00 0.00 0.00 0.00 54.91 54.22 2ib0 h ALA 116 Cb 0.70 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.41 2ib0 h ALA 116 CO 0.05 0.68 -0.80 0.28 0.00 0.00 0.00 179.25 179.46 2ib0 h VAL 117 N 0.00 1.28 -0.48 0.00 2.07 -1.24 -2.17 116.25 115.71 2ib0 h VAL 117 Ca -0.01 -2.01 0.06 0.00 0.82 0.00 0.00 66.70 65.57 2ib0 h VAL 117 Cb 1.06 2.07 -0.05 0.00 -1.52 0.00 0.00 31.29 32.84 2ib0 h VAL 117 CO 0.07 0.63 0.18 0.58 0.02 0.00 0.00 177.57 179.05 2ib0 h VAL 118 N 0.48 0.85 -0.42 2.57 2.07 -1.08 0.45 116.25 121.17 2ib0 h VAL 118 Ca -0.07 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2ib0 h VAL 118 Cb 1.44 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2ib0 h VAL 118 CO 0.16 0.07 0.17 -0.33 0.02 0.00 0.00 177.57 177.66 2ib0 h GLU 119 N 0.36 0.63 0.00 1.57 5.08 -1.28 -3.33 114.58 117.62 2ib0 h GLU 119 Ca 0.23 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2ib0 h GLU 119 Cb 0.22 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2ib0 h GLU 119 CO -0.22 0.59 -1.05 0.72 -1.00 0.00 0.00 179.01 178.05 2ib0 n HIS 120 N -4.62 0.07 -1.85 4.33 8.25 -0.82 -4.93 115.22 115.65 2ib0 n HIS 120 Ca 0.00 0.02 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 2ib0 n HIS 120 Cb 0.15 -0.21 -0.03 0.00 1.12 0.00 0.00 29.99 31.02 2ib0 n HIS 120 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ib0 s ALA 121 N -3.11 3.83 0.06 -1.41 0.00 0.15 -4.20 121.76 117.09 2ib0 s ALA 121 Ca 0.05 1.46 -0.15 0.00 0.00 0.00 0.00 51.96 53.32 2ib0 s ALA 121 Cb 0.16 -3.65 -0.23 0.00 0.00 0.00 0.00 23.12 19.39 2ib0 s ALA 121 CO 0.83 -0.84 1.17 0.93 0.00 0.00 0.00 175.76 177.85 2ib0 h GLU 122 N 6.64 0.63 -6.43 0.00 5.08 -1.91 -3.45 114.58 115.13 2ib0 h GLU 122 Ca -0.43 -0.68 -0.54 0.00 -1.00 0.00 0.00 59.36 56.71 2ib0 h GLU 122 Cb 1.20 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.61 2ib0 h GLU 122 CO 0.92 1.27 -0.09 0.95 -1.00 0.00 0.00 179.01 181.07 2ib0 s THR 123 N -3.30 4.89 0.22 1.13 -4.23 -1.26 -4.99 115.64 108.10 2ib0 s THR 123 Ca -0.11 0.61 -0.08 0.00 -1.18 0.00 0.00 61.69 60.93 2ib0 s THR 123 Cb 0.06 -3.65 0.18 0.00 1.34 0.00 0.00 72.50 70.43 2ib0 s THR 123 CO 0.90 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 176.84 2ib0 h ALA 124 N 2.79 1.04 -0.20 3.99 0.00 -1.98 0.28 119.26 125.17 2ib0 h ALA 124 Ca -0.47 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.45 2ib0 h ALA 124 Cb 1.18 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2ib0 h ALA 124 CO 0.68 0.31 -0.06 -0.44 0.00 0.00 0.00 179.25 179.74 2ib0 h ASP 125 N 0.97 -0.21 0.34 0.00 3.32 -1.99 0.18 116.42 119.03 2ib0 h ASP 125 Ca 0.32 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.31 2ib0 h ASP 125 Cb 0.02 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2ib0 h ASP 125 CO -0.12 -0.07 -0.50 0.44 -1.72 0.00 0.00 179.24 177.27 2ib0 h ASP 126 N -0.01 0.21 -0.33 6.45 3.32 -1.94 -1.60 116.42 122.51 2ib0 h ASP 126 Ca 0.10 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2ib0 h ASP 126 Cb 0.16 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2ib0 h ASP 126 CO -0.21 0.67 -0.23 0.03 -1.72 0.00 0.00 179.24 177.78 2ib0 h ARG 127 N 0.15 0.82 -0.23 3.56 3.08 -0.61 -1.32 114.38 119.84 2ib0 h ARG 127 Ca 0.01 -0.34 -0.17 0.00 0.07 0.00 0.00 59.98 59.55 2ib0 h ARG 127 Cb 0.94 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 2ib0 h ARG 127 CO 0.07 0.97 -0.53 0.28 -1.07 0.00 0.00 179.97 179.69 2ib0 h VAL 128 N 0.71 1.30 -0.14 2.04 2.07 -0.85 -0.66 116.25 120.73 2ib0 h VAL 128 Ca 0.09 -1.75 0.01 0.00 0.82 0.00 0.00 66.70 65.87 2ib0 h VAL 128 Cb 0.76 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 2ib0 h VAL 128 CO 0.06 0.55 0.05 0.15 0.02 0.00 0.00 177.57 178.41 2ib0 h PHE 129 N 0.51 0.09 -0.81 1.57 3.57 -1.21 -1.41 116.94 119.24 2ib0 h PHE 129 Ca 0.01 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2ib0 h PHE 129 Cb 1.09 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 2ib0 h PHE 129 CO 0.05 0.05 0.39 0.00 -2.23 0.00 0.00 178.31 176.57 2ib0 h ALA 130 N 1.08 1.05 -0.77 2.41 0.00 -1.06 -1.93 119.26 120.05 2ib0 h ALA 130 Ca 0.06 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2ib0 h ALA 130 Cb 0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 2ib0 h ALA 130 CO -0.06 0.62 0.49 0.66 0.00 0.00 0.00 179.25 180.96 2ib0 h SER 131 N 1.16 0.82 -0.29 0.00 4.64 -0.88 0.13 113.55 119.12 2ib0 h SER 131 Ca 0.28 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.61 2ib0 h SER 131 Cb 0.13 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 2ib0 h SER 131 CO -0.03 0.57 0.16 0.74 -0.87 0.00 0.00 176.83 177.39 2ib0 h THR 132 N 0.97 1.01 -0.55 2.95 2.02 -1.02 -0.63 112.91 117.66 2ib0 h THR 132 Ca 0.30 -0.11 -0.06 0.00 0.77 0.00 0.00 66.41 67.31 2ib0 h THR 132 Cb -0.01 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2ib0 h THR 132 CO -0.10 0.06 0.10 0.00 0.37 0.00 0.00 175.52 175.95 2ib0 h ALA 133 N 1.14 1.14 -0.24 6.16 0.00 -1.00 -0.21 119.26 126.26 2ib0 h ALA 133 Ca 0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2ib0 h ALA 133 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2ib0 h ALA 133 CO -0.07 0.57 -0.02 1.25 0.00 0.00 0.00 179.25 180.98 2ib0 h LEU 134 N 0.82 0.43 -0.29 0.00 5.85 -0.61 -1.87 115.31 119.64 2ib0 h LEU 134 Ca 0.17 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 2ib0 h LEU 134 Cb 0.35 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2ib0 h LEU 134 CO 0.00 0.66 0.08 0.74 -0.34 0.00 0.00 178.44 179.59 2ib0 h THR 135 N 0.19 1.21 -0.86 1.05 2.02 -0.94 -1.69 112.91 113.89 2ib0 h THR 135 Ca 0.06 -0.69 0.09 0.00 0.77 0.00 0.00 66.41 66.64 2ib0 h THR 135 Cb 0.46 1.11 -0.06 0.00 -1.74 0.00 0.00 68.15 67.92 2ib0 h THR 135 CO 0.02 0.23 0.56 -0.33 0.37 0.00 0.00 175.52 176.36 2ib0 h GLU 136 N 0.31 0.84 -0.21 6.66 5.08 -1.06 -0.90 114.58 125.31 2ib0 h GLU 136 Ca 0.09 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2ib0 h GLU 136 Cb 0.27 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2ib0 h GLU 136 CO -0.00 0.56 0.04 0.77 -1.00 0.00 0.00 179.01 179.37 2ib0 h SER 137 N 0.87 0.33 -0.49 1.42 0.02 -0.95 0.41 113.55 115.16 2ib0 h SER 137 Ca 0.39 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2ib0 h SER 137 Cb 0.36 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2ib0 h SER 137 CO -0.16 0.50 0.26 0.00 -1.14 0.00 0.00 176.83 176.29 2ib0 h ALA 138 N 0.84 0.63 -0.67 3.77 0.00 -1.11 -0.04 119.26 122.67 2ib0 h ALA 138 Ca 0.06 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2ib0 h ALA 138 Cb 0.31 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2ib0 h ALA 138 CO 0.00 0.16 0.20 0.28 0.00 0.00 0.00 179.25 179.90 2ib0 h VAL 139 N 0.65 1.25 -0.42 0.00 2.07 -1.08 -2.24 116.25 116.48 2ib0 h VAL 139 Ca 0.17 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 2ib0 h VAL 139 Cb 0.08 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2ib0 h VAL 139 CO -0.03 0.34 0.09 -0.03 0.02 0.00 0.00 177.57 177.96 2ib0 h MET 140 N 0.98 0.67 -0.76 1.57 -1.53 -0.42 -1.82 114.93 113.62 2ib0 h MET 140 Ca 0.22 -0.17 0.09 0.00 -3.44 0.00 0.00 59.70 56.39 2ib0 h MET 140 Cb 0.31 -0.08 -0.07 0.00 -0.55 0.00 0.00 31.60 31.20 2ib0 h MET 140 CO -0.01 0.70 0.42 0.00 0.14 0.00 0.00 176.91 178.16 2ib0 h ALA 141 N 0.95 1.06 -0.76 0.39 0.00 -0.91 -1.68 119.26 118.31 2ib0 h ALA 141 Ca 0.13 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2ib0 h ALA 141 Cb 0.34 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2ib0 h ALA 141 CO 0.00 0.05 0.31 1.79 0.00 0.00 0.00 179.25 181.40 2ib0 h THR 142 N 0.72 1.26 -0.63 0.00 1.35 -1.00 0.96 112.91 115.56 2ib0 h THR 142 Ca 0.36 -0.80 -0.05 0.00 -0.55 0.00 0.00 66.41 65.37 2ib0 h THR 142 Cb 0.32 0.35 -0.03 0.00 -1.73 0.00 0.00 68.15 67.06 2ib0 h THR 142 CO -0.24 0.33 0.19 0.03 -0.25 0.00 0.00 175.52 175.58 2ib0 h ARG 143 N 1.10 0.97 0.00 4.72 3.08 -0.70 -1.58 114.38 121.97 2ib0 h ARG 143 Ca 0.26 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 2ib0 h ARG 143 Cb 0.21 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2ib0 h ARG 143 CO -0.02 0.84 -0.47 -1.49 -1.07 0.00 0.00 179.97 177.75 2ib0 h TRP 144 N 0.93 0.00 0.00 3.04 4.06 -1.10 -3.01 115.95 119.88 2ib0 h TRP 144 Ca 0.21 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.08 2ib0 h TRP 144 Cb 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 2ib0 h TRP 144 CO 0.02 0.47 -0.35 -0.97 -3.56 0.00 0.00 178.44 174.05 2ib0 h ASN 145 N 0.00 0.00 1.55 -3.49 -0.73 -0.17 -2.01 115.58 110.73 2ib0 h ASN 145 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2ib0 h ASN 145 Cb 1.35 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.94 2ib0 h ASN 145 CO 0.06 0.35 0.00 0.03 -0.37 0.00 0.00 177.43 177.50 2ib0 h ARG 146 N 0.00 0.00 -0.02 6.67 3.08 -1.20 -3.25 114.38 119.67 2ib0 h ARG 146 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2ib0 h ARG 146 Cb 0.79 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.84 2ib0 h ARG 146 CO 0.05 0.00 -0.01 0.28 -1.07 0.00 0.00 179.97 179.22 2ib0 h VAL 147 N 0.00 1.33 -0.01 2.04 2.07 -1.25 -3.52 116.25 116.91 2ib0 h VAL 147 Ca 0.00 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2ib0 h VAL 147 Cb 0.78 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2ib0 h VAL 147 CO 0.00 0.26 0.00 0.00 0.02 0.00 0.00 177.57 177.85