#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ipr n LEU 2 N 0.00 3.48 -4.79 -0.89 7.94 -1.26 -4.36 117.00 117.11 3ipr n LEU 2 Ca 0.00 1.16 -0.31 0.00 -1.11 0.00 0.00 56.01 55.75 3ipr n LEU 2 Cb 0.00 -1.48 -0.06 0.00 0.53 0.00 0.00 43.42 42.41 3ipr n LEU 2 CO 0.00 -0.35 -0.25 -0.83 -1.11 0.00 0.00 177.39 174.85 3ipr s GLY 3 N 0.20 2.04 -0.06 -3.96 0.00 -0.52 -4.94 107.32 100.08 3ipr s GLY 3 Ca 0.64 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 44.43 3ipr s GLY 3 CO 0.52 -0.91 -0.12 -0.42 0.00 0.00 0.00 173.10 172.17 3ipr s ILE 4 N -1.35 1.14 -0.22 0.90 1.01 -0.88 0.17 121.20 121.97 3ipr s ILE 4 Ca 0.28 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.45 3ipr s ILE 4 Cb -0.12 -1.04 0.05 0.00 0.01 0.00 0.00 42.46 41.37 3ipr s ILE 4 CO 0.21 0.35 -0.06 -0.69 0.00 0.00 0.00 174.94 174.75 3ipr s VAL 5 N 0.59 1.49 -0.29 2.92 1.01 -0.00 -0.06 120.40 126.07 3ipr s VAL 5 Ca -0.13 -1.11 -0.16 0.00 0.00 0.00 0.00 61.98 60.58 3ipr s VAL 5 Cb -0.15 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 3ipr s VAL 5 CO 0.03 -0.02 0.43 -0.63 0.00 0.00 0.00 175.10 174.91 3ipr s ILE 6 N 1.43 5.12 -0.16 2.22 1.01 0.70 -0.06 121.20 131.47 3ipr s ILE 6 Ca -0.04 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.17 3ipr s ILE 6 Cb -0.18 -3.78 0.03 0.00 0.01 0.00 0.00 42.46 38.54 3ipr s ILE 6 CO -0.07 0.06 -0.13 0.00 0.00 0.00 0.00 174.94 174.80 3ipr s ALA 7 N 2.17 1.84 0.20 9.38 0.00 0.23 -0.40 121.76 135.18 3ipr s ALA 7 Ca 0.17 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 3ipr s ALA 7 Cb -0.16 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 3ipr s ALA 7 CO 0.10 -0.49 0.23 0.95 0.00 0.00 0.00 175.76 176.55 3ipr s THR 8 N 1.49 0.01 0.26 0.00 -4.23 -1.13 -3.00 115.64 109.04 3ipr s THR 8 Ca 0.03 -1.78 -0.30 0.00 -1.18 0.00 0.00 61.69 58.47 3ipr s THR 8 Cb -0.14 -2.33 -0.09 0.00 1.34 0.00 0.00 72.50 71.28 3ipr s THR 8 CO -0.10 -0.06 1.08 -1.00 -0.54 0.00 0.00 174.62 174.00 3ipr s HIS 9 N -4.10 3.64 0.00 3.99 3.76 -1.26 -1.24 115.29 120.08 3ipr s HIS 9 Ca 0.32 1.72 0.00 0.00 -0.15 0.00 0.00 55.06 56.94 3ipr s HIS 9 Cb 0.05 -3.24 0.00 0.00 1.11 0.00 0.00 32.58 30.50 3ipr s HIS 9 CO 0.09 -0.42 0.00 0.41 -0.85 0.00 0.00 174.74 173.98 3ipr n GLY 10 N 1.35 0.56 0.22 -2.22 0.00 0.59 -3.65 105.19 102.04 3ipr n GLY 10 Ca -0.01 -0.87 0.07 0.00 0.00 0.00 0.00 46.02 45.22 3ipr n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ipr n ALA 11 N 2.69 2.54 -0.28 4.61 0.00 -1.26 -4.27 120.51 124.55 3ipr n ALA 11 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 53.44 53.25 3ipr n ALA 11 Cb 0.00 -1.14 0.22 0.00 0.00 0.00 0.00 19.45 18.52 3ipr n ALA 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ipr h LEU 12 N 0.80 0.43 -1.02 0.00 5.85 -1.89 -0.03 115.31 119.46 3ipr h LEU 12 Ca 0.00 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 3ipr h LEU 12 Cb 0.18 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3ipr h LEU 12 CO 0.00 0.17 0.21 0.77 -0.34 0.00 0.00 178.44 179.25 3ipr h SER 13 N 0.55 0.84 0.55 1.25 4.64 -1.83 -0.45 113.55 119.11 3ipr h SER 13 Ca 0.45 -0.13 -0.14 0.00 -0.47 0.00 0.00 61.79 61.50 3ipr h SER 13 Cb 0.67 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 3ipr h SER 13 CO -0.39 0.78 -0.64 0.44 -0.87 0.00 0.00 176.83 176.16 3ipr h ASP 14 N 0.89 0.09 0.58 4.97 3.32 -1.52 -2.69 116.42 122.06 3ipr h ASP 14 Ca 0.20 -0.05 -0.15 0.00 0.02 0.00 0.00 57.03 57.05 3ipr h ASP 14 Cb 0.23 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3ipr h ASP 14 CO -0.01 0.70 -0.68 1.23 -1.72 0.00 0.00 179.24 178.76 3ipr h GLY 15 N 1.78 0.09 0.97 2.75 0.00 -0.38 -1.44 103.07 106.84 3ipr h GLY 15 Ca -0.01 -0.13 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 3ipr h GLY 15 CO 0.09 0.12 -0.27 0.00 0.00 0.00 0.00 176.54 176.47 3ipr h ALA 16 N 1.25 0.43 -0.19 3.60 0.00 -1.00 -0.66 119.26 122.69 3ipr h ALA 16 Ca -0.01 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 3ipr h ALA 16 Cb 1.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3ipr h ALA 16 CO 0.09 0.43 -0.51 -0.22 0.00 0.00 0.00 179.25 179.05 3ipr h LYS 17 N 0.45 0.52 -0.21 0.00 3.64 -1.41 -0.33 116.57 119.23 3ipr h LYS 17 Ca 0.05 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.10 3ipr h LYS 17 Cb 0.84 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 3ipr h LYS 17 CO 0.07 0.91 0.05 0.22 -2.27 0.00 0.00 179.45 178.43 3ipr h ASP 18 N 0.41 0.32 -0.27 4.20 3.58 -1.19 0.18 116.42 123.64 3ipr h ASP 18 Ca 0.02 -0.23 0.01 0.00 0.42 0.00 0.00 57.03 57.24 3ipr h ASP 18 Cb 1.04 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.98 3ipr h ASP 18 CO 0.09 0.47 0.15 0.00 -2.88 0.00 0.00 179.24 177.08 3ipr h ALA 19 N 0.86 0.34 -0.03 -0.78 0.00 -0.93 0.14 119.26 118.85 3ipr h ALA 19 Ca 0.07 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3ipr h ALA 19 Cb 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3ipr h ALA 19 CO 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 179.25 178.88 3ipr h ALA 20 N 1.13 1.71 -0.19 0.00 0.00 -0.89 -1.88 119.26 119.14 3ipr h ALA 20 Ca 0.11 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3ipr h ALA 20 Cb 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ipr h ALA 20 CO -0.06 0.22 -0.27 1.15 0.00 0.00 0.00 179.25 180.29 3ipr h THR 21 N 0.05 1.34 -0.84 0.00 2.02 0.39 -0.39 112.91 115.48 3ipr h THR 21 Ca 0.01 -1.47 0.13 0.00 0.77 0.00 0.00 66.41 65.85 3ipr h THR 21 Cb 0.28 1.83 -0.06 0.00 -1.74 0.00 0.00 68.15 68.45 3ipr h THR 21 CO 0.02 0.45 0.55 0.58 0.37 0.00 0.00 175.52 177.48 3ipr h VAL 22 N 0.19 0.86 0.00 3.16 2.07 0.03 0.33 116.25 122.89 3ipr h VAL 22 Ca 0.02 -0.23 -0.09 0.00 0.82 0.00 0.00 66.70 67.22 3ipr h VAL 22 Cb 0.84 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3ipr h VAL 22 CO 0.06 0.12 -0.59 0.40 0.02 0.00 0.00 177.57 177.58 3ipr h ILE 23 N 0.66 0.92 -0.01 4.57 2.04 -1.26 -3.40 117.51 121.03 3ipr h ILE 23 Ca 0.41 -1.89 0.00 0.00 1.00 0.00 0.00 64.86 64.38 3ipr h ILE 23 Cb 0.66 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 3ipr h ILE 23 CO -0.17 0.31 -0.48 0.23 0.00 0.00 0.00 178.15 178.04 3ipr n MET 24 N -4.56 0.64 0.00 2.37 2.81 -0.17 -5.09 117.12 113.12 3ipr n MET 24 Ca -0.17 -0.45 0.00 0.00 -1.81 0.00 0.00 57.70 55.27 3ipr n MET 24 Cb 0.47 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 3ipr n MET 24 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ipr n GLY 25 N 1.42 -1.80 3.68 3.03 0.00 0.12 -4.91 105.19 106.73 3ipr n GLY 25 Ca 0.09 -1.70 -0.44 0.00 0.00 0.00 0.00 46.02 43.97 3ipr n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ipr n ALA 26 N 0.50 1.77 -2.00 4.61 0.00 -1.26 -4.39 120.51 119.74 3ipr n ALA 26 Ca 0.00 0.32 -0.19 0.00 0.00 0.00 0.00 53.44 53.57 3ipr n ALA 26 Cb 0.00 -2.55 0.03 0.00 0.00 0.00 0.00 19.45 16.93 3ipr n ALA 26 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ipr s THR 27 N 2.87 2.74 -0.02 0.00 -4.23 -1.26 -5.11 115.64 110.62 3ipr s THR 27 Ca 0.84 -0.84 -0.07 0.00 -1.18 0.00 0.00 61.69 60.44 3ipr s THR 27 Cb -0.55 -2.90 0.01 0.00 1.34 0.00 0.00 72.50 70.40 3ipr s THR 27 CO 0.40 0.00 0.15 -0.70 -0.54 0.00 0.00 174.62 173.93 3ipr s GLU 28 N -4.59 0.38 -1.29 3.99 2.12 -1.26 -4.90 118.70 113.15 3ipr s GLU 28 Ca 0.57 -0.18 -0.05 0.00 0.36 0.00 0.00 54.97 55.67 3ipr s GLU 28 Cb -0.09 0.16 0.01 0.00 0.26 0.00 0.00 34.13 34.46 3ipr s GLU 28 CO 0.36 -0.08 0.72 -1.71 -0.54 0.00 0.00 175.26 174.02 3ipr n ASN 29 N 2.00 -5.66 -4.20 -1.70 5.15 -1.26 -4.92 115.26 104.67 3ipr n ASN 29 Ca -0.19 -0.33 -0.33 0.00 -0.60 0.00 0.00 54.58 53.13 3ipr n ASN 29 Cb 0.57 -4.41 -0.16 0.00 -0.53 0.00 0.00 39.78 35.25 3ipr n ASN 29 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3ipr s ILE 30 N -3.17 2.34 -0.06 -1.44 1.01 -1.26 -2.07 121.20 116.55 3ipr s ILE 30 Ca 0.36 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 60.14 3ipr s ILE 30 Cb -0.16 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 3ipr s ILE 30 CO 0.44 0.53 -0.05 -1.61 0.00 0.00 0.00 174.94 174.26 3ipr s GLU 31 N 0.90 2.78 -0.05 2.79 0.41 0.91 -5.01 118.70 121.44 3ipr s GLU 31 Ca -0.04 -0.54 0.06 0.00 -0.41 0.00 0.00 54.97 54.04 3ipr s GLU 31 Cb -0.15 -2.63 -0.01 0.00 -1.78 0.00 0.00 34.13 29.56 3ipr s GLU 31 CO -0.03 0.67 -0.25 0.95 -0.49 0.00 0.00 175.26 176.11 3ipr s THR 32 N -0.86 2.08 0.17 3.63 -4.23 -1.26 -0.21 115.64 114.95 3ipr s THR 32 Ca 0.13 -1.07 0.09 0.00 -1.18 0.00 0.00 61.69 59.67 3ipr s THR 32 Cb -0.11 -1.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.95 3ipr s THR 32 CO 0.03 0.57 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.79 3ipr s VAL 33 N -0.25 1.97 0.06 2.29 1.01 0.46 -4.96 120.40 120.97 3ipr s VAL 33 Ca -0.01 -1.92 0.02 0.00 0.00 0.00 0.00 61.98 60.07 3ipr s VAL 33 Cb -0.13 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3ipr s VAL 33 CO 0.03 -0.24 -0.08 0.20 0.00 0.00 0.00 175.10 175.01 3ipr s ASN 34 N -2.61 0.99 -0.28 3.32 -0.87 -1.26 -2.84 114.94 111.39 3ipr s ASN 34 Ca 0.17 -0.64 0.01 0.00 -1.57 0.00 0.00 52.86 50.82 3ipr s ASN 34 Cb -0.07 0.04 0.08 0.00 -0.02 0.00 0.00 41.25 41.28 3ipr s ASN 34 CO 0.07 -0.24 0.01 -0.22 -2.57 0.00 0.00 177.10 174.15 3ipr s LEU 35 N -1.88 2.95 0.27 0.60 2.96 -0.37 -4.91 118.68 118.29 3ipr s LEU 35 Ca -0.05 -1.51 0.06 0.00 -0.22 0.00 0.00 54.13 52.41 3ipr s LEU 35 Cb -0.07 -1.18 -0.03 0.00 0.50 0.00 0.00 46.19 45.41 3ipr s LEU 35 CO -0.00 -0.32 0.29 0.20 -1.32 0.00 0.00 176.35 175.20 3ipr s ASN 36 N 1.35 5.81 -0.04 3.68 0.01 -1.26 -0.30 114.94 124.19 3ipr s ASN 36 Ca 0.02 -0.17 -0.37 0.00 -0.71 0.00 0.00 52.86 51.64 3ipr s ASN 36 Cb -0.18 -1.48 -0.15 0.00 0.41 0.00 0.00 41.25 39.84 3ipr s ASN 36 CO -0.12 -0.13 1.61 -0.24 -1.51 0.00 0.00 177.10 176.72 3ipr n SER 37 N -1.33 2.50 0.00 -1.22 2.88 -1.26 -1.10 113.62 114.09 3ipr n SER 37 Ca -0.07 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 3ipr n SER 37 Cb 0.58 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 3ipr n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ipr n GLY 38 N 3.56 2.96 3.63 0.46 0.00 -1.26 -5.05 105.19 109.48 3ipr n GLY 38 Ca 0.21 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3ipr n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ipr n ASP 39 N 0.11 1.25 -4.76 1.61 8.00 -0.26 -4.95 116.55 117.54 3ipr n ASP 39 Ca 0.00 0.91 -0.40 0.00 0.71 0.00 0.00 54.79 56.01 3ipr n ASP 39 Cb 0.00 -1.41 -0.05 0.00 -0.02 0.00 0.00 41.12 39.64 3ipr n ASP 39 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ipr s ASP 40 N -1.01 7.23 0.33 -2.24 2.15 -1.26 -4.94 116.67 116.93 3ipr s ASP 40 Ca 0.70 1.46 0.08 0.00 0.43 0.00 0.00 52.55 55.23 3ipr s ASP 40 Cb -0.46 -2.46 0.57 0.00 -0.30 0.00 0.00 42.92 40.27 3ipr s ASP 40 CO 0.51 0.08 1.77 -0.37 -0.17 0.00 0.00 175.17 176.99 3ipr h VAL 41 N 3.91 1.28 -0.53 1.11 -1.51 -1.99 -2.77 116.25 115.75 3ipr h VAL 41 Ca -0.45 -1.32 -0.01 0.00 -1.23 0.00 0.00 66.70 63.69 3ipr h VAL 41 Cb 1.21 1.58 -0.03 0.00 -2.13 0.00 0.00 31.29 31.93 3ipr h VAL 41 CO 0.69 0.39 0.30 1.56 -1.23 0.00 0.00 177.57 179.28 3ipr h GLN 42 N 0.17 0.73 -0.94 5.19 1.08 -1.99 -0.90 115.11 118.45 3ipr h GLN 42 Ca 0.02 -0.08 0.08 0.00 -1.45 0.00 0.00 58.65 57.22 3ipr h GLN 42 Cb 0.69 -0.15 -0.07 0.00 -0.05 0.00 0.00 27.48 27.91 3ipr h GLN 42 CO 0.05 0.56 0.59 0.00 -0.95 0.00 0.00 178.83 179.08 3ipr h ALA 43 N 1.13 1.33 -0.35 3.87 0.00 -1.91 0.24 119.26 123.57 3ipr h ALA 43 Ca 0.19 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3ipr h ALA 43 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3ipr h ALA 43 CO -0.03 0.31 0.10 1.25 0.00 0.00 0.00 179.25 180.88 3ipr h LEU 44 N 1.03 0.46 0.31 0.00 5.85 -1.08 0.58 115.31 122.46 3ipr h LEU 44 Ca 0.42 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.09 3ipr h LEU 44 Cb 0.26 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3ipr h LEU 44 CO -0.20 0.45 -0.30 1.23 -0.34 0.00 0.00 178.44 179.28 3ipr h GLY 45 N 0.71 -0.70 1.39 3.75 0.00 0.79 0.51 103.07 109.51 3ipr h GLY 45 Ca 0.12 0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 3ipr h GLY 45 CO -0.01 -0.27 0.32 -1.33 0.00 0.00 0.00 176.54 175.26 3ipr h GLY 46 N -0.64 0.87 1.02 4.60 0.00 -0.79 -1.21 103.07 106.92 3ipr h GLY 46 Ca -0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3ipr h GLY 46 CO -0.05 0.36 0.43 1.46 0.00 0.00 0.00 176.54 178.74 3ipr h GLN 47 N 0.82 1.13 0.01 4.80 4.20 -0.24 0.39 115.11 126.23 3ipr h GLN 47 Ca 0.21 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 3ipr h GLN 47 Cb 0.02 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.58 3ipr h GLN 47 CO -0.03 0.84 -0.01 0.82 -0.67 0.00 0.00 178.83 179.78 3ipr h ILE 48 N 1.12 1.35 -0.82 2.54 2.04 -0.42 -1.46 117.51 121.85 3ipr h ILE 48 Ca 0.28 -1.10 0.17 0.00 1.00 0.00 0.00 64.86 65.22 3ipr h ILE 48 Cb 0.05 2.08 -0.11 0.00 -0.74 0.00 0.00 36.82 38.11 3ipr h ILE 48 CO -0.04 0.28 0.35 0.50 0.00 0.00 0.00 178.15 179.24 3ipr h LYS 49 N -0.49 0.44 0.22 2.37 3.64 -1.01 0.36 116.57 122.11 3ipr h LYS 49 Ca -0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3ipr h LYS 49 Cb 0.47 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3ipr h LYS 49 CO 0.00 0.29 -0.11 1.15 -2.27 0.00 0.00 179.45 178.52 3ipr h THR 50 N 0.46 0.85 -0.71 1.00 2.02 -0.85 -0.83 112.91 114.85 3ipr h THR 50 Ca 0.47 -0.49 0.11 0.00 0.77 0.00 0.00 66.41 67.27 3ipr h THR 50 Cb 0.78 1.13 -0.08 0.00 -1.74 0.00 0.00 68.15 68.24 3ipr h THR 50 CO -0.45 0.11 0.32 0.00 0.37 0.00 0.00 175.52 175.87 3ipr h ALA 51 N 0.15 0.98 -0.60 6.16 0.00 -0.14 0.19 119.26 126.00 3ipr h ALA 51 Ca -0.03 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3ipr h ALA 51 Cb 0.41 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3ipr h ALA 51 CO 0.05 -0.12 0.38 0.82 0.00 0.00 0.00 179.25 180.39 3ipr h ILE 52 N 0.53 1.11 -0.19 0.00 2.04 -0.18 -2.44 117.51 118.37 3ipr h ILE 52 Ca 0.36 -0.26 -0.11 0.00 1.00 0.00 0.00 64.86 65.85 3ipr h ILE 52 Cb 0.45 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3ipr h ILE 52 CO -0.31 0.14 -0.37 -0.33 0.00 0.00 0.00 178.15 177.28 3ipr h GLU 53 N 0.77 0.42 0.00 2.37 5.08 0.37 0.88 114.58 124.47 3ipr h GLU 53 Ca 0.23 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3ipr h GLU 53 Cb -0.03 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3ipr h GLU 53 CO -0.08 0.73 0.00 0.09 -1.00 0.00 0.00 179.01 178.75 3ipr n ASN 54 N -4.05 0.07 -0.00 1.42 3.02 0.53 -3.54 115.26 112.71 3ipr n ASN 54 Ca -0.01 0.51 0.00 0.00 -0.03 0.00 0.00 54.58 55.05 3ipr n ASN 54 Cb 0.47 -0.53 -0.00 0.00 -0.61 0.00 0.00 39.78 39.11 3ipr n ASN 54 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 3ipr n VAL 55 N -1.57 0.00 -1.86 2.41 3.14 -0.99 -5.02 118.33 114.44 3ipr n VAL 55 Ca 0.05 -0.17 -0.42 0.00 -2.96 0.00 0.00 64.34 60.83 3ipr n VAL 55 Cb 0.24 0.67 -0.03 0.00 -1.06 0.00 0.00 33.84 33.66 3ipr n VAL 55 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 3ipr s GLN 56 N -1.68 4.17 -0.12 1.45 2.00 0.28 -4.12 119.66 121.64 3ipr s GLN 56 Ca -0.00 2.37 0.21 0.00 -2.00 0.00 0.00 55.36 55.95 3ipr s GLN 56 Cb 0.00 -4.03 0.45 0.00 0.80 0.00 0.00 33.01 30.23 3ipr s GLN 56 CO 0.01 -0.88 1.17 1.04 -0.50 0.00 0.00 175.29 176.12 3ipr n GLN 57 N 7.19 0.93 0.00 1.67 6.02 -1.26 -5.00 117.38 126.93 3ipr n GLN 57 Ca 0.18 -2.72 0.00 0.00 -0.01 0.00 0.00 57.00 54.45 3ipr n GLN 57 Cb 0.42 -0.81 0.00 0.00 1.02 0.00 0.00 30.24 30.87 3ipr n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ipr n GLY 58 N -0.11 2.98 1.20 1.08 0.00 -1.26 -4.13 105.19 104.94 3ipr n GLY 58 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 3ipr n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ipr n ASP 59 N 0.26 3.57 0.00 1.61 8.00 -1.26 -5.06 116.55 123.67 3ipr n ASP 59 Ca 0.00 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.50 3ipr n ASP 59 Cb 0.00 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 3ipr n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ipr n GLY 60 N 1.54 -0.26 2.83 0.44 0.00 -1.26 -4.44 105.19 104.05 3ipr n GLY 60 Ca 0.20 -1.84 -0.15 0.00 0.00 0.00 0.00 46.02 44.24 3ipr n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ipr s VAL 61 N -1.30 0.07 -0.32 1.61 1.01 -0.65 -1.44 120.40 119.37 3ipr s VAL 61 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 3ipr s VAL 61 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 3ipr s VAL 61 CO 0.00 0.08 0.38 -0.76 0.00 0.00 0.00 175.10 174.79 3ipr s LEU 62 N 0.59 4.33 -0.50 3.92 2.01 0.13 -1.45 118.68 127.71 3ipr s LEU 62 Ca -0.05 -0.09 -0.15 0.00 0.01 0.00 0.00 54.13 53.85 3ipr s LEU 62 Cb -0.08 -2.38 0.10 0.00 0.01 0.00 0.00 46.19 43.84 3ipr s LEU 62 CO -0.01 -0.31 0.43 -0.69 1.01 0.00 0.00 176.35 176.78 3ipr s VAL 63 N 2.06 5.17 -0.45 -1.59 1.01 0.92 -0.82 120.40 126.70 3ipr s VAL 63 Ca 0.13 -1.26 -0.18 0.00 0.00 0.00 0.00 61.98 60.67 3ipr s VAL 63 Cb -0.16 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.07 3ipr s VAL 63 CO 0.11 -0.69 0.50 -0.04 0.00 0.00 0.00 175.10 174.98 3ipr s MET 64 N 1.61 3.11 0.45 2.72 1.00 0.92 -1.45 119.30 127.66 3ipr s MET 64 Ca 0.04 -0.79 0.08 0.00 0.00 0.00 0.00 55.69 55.01 3ipr s MET 64 Cb -0.26 -4.01 0.02 0.00 0.00 0.00 0.00 34.83 30.57 3ipr s MET 64 CO 0.05 -0.97 0.58 0.14 0.00 0.00 0.00 175.02 174.81 3ipr s VAL 65 N 2.29 2.77 -0.18 -6.03 -7.23 -0.70 -0.60 120.40 110.71 3ipr s VAL 65 Ca 0.13 -1.06 -0.20 0.00 -1.81 0.00 0.00 61.98 59.05 3ipr s VAL 65 Cb -0.18 -2.83 -0.22 0.00 0.56 0.00 0.00 36.38 33.71 3ipr s VAL 65 CO 0.13 0.00 0.32 -2.24 -0.31 0.00 0.00 175.10 173.01 3ipr h ASP 66 N 0.62 0.10 -3.72 4.85 3.04 -1.83 -2.98 116.42 116.51 3ipr h ASP 66 Ca -0.38 -0.65 -0.53 0.00 -3.24 0.00 0.00 57.03 52.23 3ipr h ASP 66 Cb 1.28 -0.03 -0.32 0.00 -1.04 0.00 0.00 39.33 39.22 3ipr h ASP 66 CO 0.46 1.52 -0.82 -0.22 -2.04 0.00 0.00 179.24 178.14 3ipr s LEU 67 N -7.75 1.81 0.40 0.15 2.96 -1.26 -2.21 118.68 112.79 3ipr s LEU 67 Ca -0.26 -0.31 -0.26 0.00 -0.22 0.00 0.00 54.13 53.08 3ipr s LEU 67 Cb 0.05 -0.86 -0.09 0.00 0.50 0.00 0.00 46.19 45.79 3ipr s LEU 67 CO 0.65 0.10 1.32 -0.22 -1.32 0.00 0.00 176.35 176.87 3ipr s LEU 68 N 0.27 4.22 -0.58 -0.68 2.96 -1.26 -3.19 118.68 120.42 3ipr s LEU 68 Ca -0.07 2.69 0.00 0.00 -0.22 0.00 0.00 54.13 56.52 3ipr s LEU 68 Cb -0.12 -3.88 0.00 0.00 0.50 0.00 0.00 46.19 42.68 3ipr s LEU 68 CO 0.03 -0.86 0.00 -1.20 -1.32 0.00 0.00 176.35 173.00 3ipr n SER 69 N 0.15 -5.01 -4.83 3.68 7.64 -1.26 -5.00 113.62 108.98 3ipr n SER 69 Ca 0.03 0.13 -0.21 0.00 1.01 0.00 0.00 58.87 59.83 3ipr n SER 69 Cb 0.43 -2.99 -0.04 0.00 -1.01 0.00 0.00 64.21 60.60 3ipr n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ipr s ALA 70 N -1.75 3.77 0.22 -0.43 0.00 -1.19 -4.82 121.76 117.57 3ipr s ALA 70 Ca 0.00 -1.66 -0.09 0.00 0.00 0.00 0.00 51.96 50.21 3ipr s ALA 70 Cb 0.00 -1.12 0.33 0.00 0.00 0.00 0.00 23.12 22.33 3ipr s ALA 70 CO 0.00 0.03 1.32 0.43 0.00 0.00 0.00 175.76 177.53 3ipr n SER 71 N -1.33 -0.38 -0.03 0.00 7.64 -1.26 -0.72 113.62 117.54 3ipr n SER 71 Ca -0.02 1.46 -0.08 0.00 1.01 0.00 0.00 58.87 61.23 3ipr n SER 71 Cb 0.60 -0.41 -0.02 0.00 -1.01 0.00 0.00 64.21 63.37 3ipr n SER 71 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3ipr h PRO 72 N 0.00 -0.07 0.40 1.43 0.11 -1.91 -0.98 132.00 130.96 3ipr h PRO 72 Ca 0.37 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.47 3ipr h PRO 72 Cb 0.58 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.71 3ipr h PRO 72 CO -0.86 -0.05 -0.19 -0.92 -0.21 0.00 0.00 178.00 175.77 3ipr h TYR 73 N -0.08 -0.50 -0.91 0.65 5.03 -1.13 -2.01 116.97 118.03 3ipr h TYR 73 Ca 0.11 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.52 3ipr h TYR 73 Cb 0.24 0.16 -0.07 0.00 1.55 0.00 0.00 36.73 38.61 3ipr h TYR 73 CO -0.25 -0.27 0.58 -0.91 -1.32 0.00 0.00 178.16 175.99 3ipr h ASN 74 N -0.61 0.77 0.43 -2.11 2.35 -1.00 -1.59 115.58 113.83 3ipr h ASN 74 Ca -0.05 0.03 -0.18 0.00 -0.55 0.00 0.00 56.30 55.54 3ipr h ASN 74 Cb 0.45 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3ipr h ASN 74 CO 0.09 0.43 -0.78 1.56 -1.65 0.00 0.00 177.43 177.08 3ipr h GLN 75 N 0.84 0.27 -0.33 0.81 1.08 -1.15 -1.63 115.11 115.01 3ipr h GLN 75 Ca 0.44 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 3ipr h GLN 75 Cb 0.52 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 3ipr h GLN 75 CO -0.20 0.93 0.17 0.00 -0.95 0.00 0.00 178.83 178.78 3ipr h ALA 76 N 0.99 0.43 -0.17 3.87 0.00 -0.54 0.58 119.26 124.42 3ipr h ALA 76 Ca -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3ipr h ALA 76 Cb 1.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3ipr h ALA 76 CO 0.12 -0.04 0.05 0.28 0.00 0.00 0.00 179.25 179.67 3ipr h VAL 77 N 0.41 1.19 -0.65 0.00 2.07 -1.28 -0.87 116.25 117.12 3ipr h VAL 77 Ca 0.12 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.11 3ipr h VAL 77 Cb 0.08 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 3ipr h VAL 77 CO -0.02 0.18 0.34 -0.07 0.02 0.00 0.00 177.57 178.02 3ipr h LEU 78 N 0.09 0.48 0.65 2.57 3.38 -1.09 -0.79 115.31 120.61 3ipr h LEU 78 Ca 0.05 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3ipr h LEU 78 Cb 0.23 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.94 3ipr h LEU 78 CO -0.00 0.31 -0.31 0.58 0.09 0.00 0.00 178.44 179.10 3ipr h VAL 79 N 0.62 0.35 -0.37 1.22 2.07 -0.66 -2.88 116.25 116.60 3ipr h VAL 79 Ca 0.30 -0.03 0.11 0.00 0.82 0.00 0.00 66.70 67.89 3ipr h VAL 79 Cb 0.23 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3ipr h VAL 79 CO -0.20 0.00 0.28 0.40 0.02 0.00 0.00 177.57 178.07 3ipr h ILE 80 N -0.90 0.74 0.00 4.57 2.04 -0.87 -0.66 117.51 122.43 3ipr h ILE 80 Ca -0.09 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 3ipr h ILE 80 Cb 0.68 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3ipr h ILE 80 CO 0.15 0.00 -0.22 0.78 0.00 0.00 0.00 178.15 178.86 3ipr h ASN 81 N 0.00 0.00 -0.41 1.72 2.35 -0.92 -3.02 115.58 115.29 3ipr h ASN 81 Ca 0.18 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.73 3ipr h ASN 81 Cb 0.74 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.00 3ipr h ASN 81 CO -0.00 0.22 0.01 -0.62 -1.65 0.00 0.00 177.43 175.39 3ipr n GLU 82 N -3.70 2.01 -3.81 0.81 -0.58 -0.26 -5.00 120.64 110.11 3ipr n GLU 82 Ca -0.01 -3.14 -0.29 0.00 -0.42 0.00 0.00 57.16 53.30 3ipr n GLU 82 Cb 0.34 -1.86 -0.04 0.00 -0.57 0.00 0.00 31.44 29.31 3ipr n GLU 82 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3ipr s LEU 83 N -3.21 4.30 0.17 -4.62 1.43 -1.14 -5.04 118.68 110.56 3ipr s LEU 83 Ca 0.46 0.36 -0.32 0.00 -1.03 0.00 0.00 54.13 53.60 3ipr s LEU 83 Cb 0.41 -3.09 -0.11 0.00 0.03 0.00 0.00 46.19 43.43 3ipr s LEU 83 CO 0.02 0.07 1.79 -1.84 0.23 0.00 0.00 176.35 176.61 3ipr n GLU 84 N -0.13 2.81 -0.29 1.70 0.00 -1.26 -4.65 120.64 118.82 3ipr n GLU 84 Ca -0.05 1.02 0.27 0.00 0.00 0.00 0.00 57.16 58.40 3ipr n GLU 84 Cb 0.52 -2.89 0.49 0.00 0.00 0.00 0.00 31.44 29.57 3ipr n GLU 84 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3ipr n PRO 85 N 4.82 -0.04 0.22 3.44 -0.02 -1.26 0.24 135.00 142.40 3ipr n PRO 85 Ca 0.17 1.08 0.16 0.00 -2.02 0.00 0.00 63.50 62.89 3ipr n PRO 85 Cb 0.36 -1.99 0.67 0.00 -0.02 0.00 0.00 33.50 32.52 3ipr n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ipr h ALA 86 N 1.52 1.00 0.00 3.55 0.00 -2.03 -3.24 119.26 120.06 3ipr h ALA 86 Ca 0.69 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 55.18 3ipr h ALA 86 Cb 1.93 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.66 3ipr h ALA 86 CO -0.56 0.00 -2.43 1.28 0.00 0.00 0.00 179.25 177.55 3ipr n LEU 87 N -2.71 2.08 -0.35 0.00 4.77 0.14 -4.65 117.00 116.28 3ipr n LEU 87 Ca 0.00 0.21 0.07 0.00 -0.03 0.00 0.00 56.01 56.27 3ipr n LEU 87 Cb 0.22 -0.78 0.24 0.00 -2.33 0.00 0.00 43.42 40.77 3ipr n LEU 87 CO 0.22 0.62 1.22 0.06 -1.33 0.00 0.00 177.39 178.18 3ipr h GLN 88 N -0.71 0.93 -0.05 3.23 3.07 -1.53 -1.71 115.11 118.33 3ipr h GLN 88 Ca -0.63 -0.06 0.02 0.00 0.09 0.00 0.00 58.65 58.07 3ipr h GLN 88 Cb 1.63 -0.21 -0.00 0.00 0.08 0.00 0.00 27.48 28.98 3ipr h GLN 88 CO -0.32 0.62 0.25 0.87 0.09 0.00 0.00 178.83 180.33 3ipr h LYS 89 N 0.96 0.00 -0.53 0.06 1.79 -1.82 -2.21 116.57 114.82 3ipr h LYS 89 Ca 0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.96 3ipr h LYS 89 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 3ipr h LYS 89 CO -0.27 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 179.73 3ipr n LYS 90 N -3.10 2.88 -3.72 3.15 4.76 -0.64 -4.92 118.16 116.57 3ipr n LYS 90 Ca -0.01 -2.40 -0.37 0.00 -2.87 0.00 0.00 58.31 52.67 3ipr n LYS 90 Cb 0.32 -1.46 -0.12 0.00 -1.84 0.00 0.00 35.03 31.93 3ipr n LYS 90 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ipr s ILE 91 N -1.13 4.58 -0.05 -0.18 1.01 -0.83 -1.64 121.20 122.96 3ipr s ILE 91 Ca 0.37 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.97 3ipr s ILE 91 Cb 0.20 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 3ipr s ILE 91 CO 0.23 0.32 -0.12 -0.36 0.00 0.00 0.00 174.94 175.01 3ipr s PHE 92 N 1.61 2.76 -0.24 3.97 0.40 -0.53 -4.98 117.98 120.98 3ipr s PHE 92 Ca 0.06 -0.11 -0.06 0.00 -0.60 0.00 0.00 56.93 56.22 3ipr s PHE 92 Cb -0.15 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 3ipr s PHE 92 CO 0.05 0.22 0.02 0.08 0.70 0.00 0.00 175.22 176.30 3ipr s VAL 93 N -0.75 3.90 -0.10 -0.44 1.01 -1.26 -0.06 120.40 122.71 3ipr s VAL 93 Ca 0.12 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3ipr s VAL 93 Cb -0.11 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 3ipr s VAL 93 CO 0.01 0.36 -0.11 0.68 0.00 0.00 0.00 175.10 176.04 3ipr s VAL 94 N 1.55 3.28 0.32 2.92 -7.23 -0.53 -4.98 120.40 115.74 3ipr s VAL 94 Ca 0.06 -0.61 0.03 0.00 -1.81 0.00 0.00 61.98 59.65 3ipr s VAL 94 Cb -0.15 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 3ipr s VAL 94 CO 0.01 0.55 0.48 -0.44 -0.31 0.00 0.00 175.10 175.39 3ipr s SER 95 N -0.18 6.19 -1.37 4.85 0.01 -1.26 -1.72 113.70 120.21 3ipr s SER 95 Ca 0.01 0.18 -0.08 0.00 1.31 0.00 0.00 55.95 57.37 3ipr s SER 95 Cb -0.13 -1.77 0.02 0.00 0.21 0.00 0.00 66.02 64.35 3ipr s SER 95 CO 0.03 -0.28 1.07 0.61 0.41 0.00 0.00 173.24 175.08 3ipr n GLY 96 N -1.66 -0.49 3.73 3.44 0.00 -0.94 -4.91 105.19 104.36 3ipr n GLY 96 Ca -0.05 0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3ipr n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ipr s THR 97 N -3.35 2.92 0.44 2.61 -4.23 -1.13 -5.01 115.64 107.89 3ipr s THR 97 Ca 0.46 0.71 0.04 0.00 -1.18 0.00 0.00 61.69 61.72 3ipr s THR 97 Cb -0.21 -3.45 -0.05 0.00 1.34 0.00 0.00 72.50 70.13 3ipr s THR 97 CO 0.76 0.08 0.02 0.54 -0.54 0.00 0.00 174.62 175.48 3ipr s ASN 98 N 0.76 3.79 0.19 3.99 2.20 -1.26 -4.93 114.94 119.69 3ipr s ASN 98 Ca 0.63 -1.50 -0.11 0.00 -0.94 0.00 0.00 52.86 50.93 3ipr s ASN 98 Cb -0.40 0.05 0.22 0.00 -2.00 0.00 0.00 41.25 39.12 3ipr s ASN 98 CO 0.36 -0.65 1.74 0.25 -2.94 0.00 0.00 177.10 175.85 3ipr h LEU 99 N 1.63 0.16 -1.14 3.54 5.85 -1.95 -2.15 115.31 121.26 3ipr h LEU 99 Ca -0.43 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.47 3ipr h LEU 99 Cb 1.27 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.30 3ipr h LEU 99 CO 0.76 0.11 0.60 -0.65 -0.34 0.00 0.00 178.44 178.92 3ipr h PRO 100 N 0.35 0.89 -0.40 5.25 0.11 -1.97 0.06 132.00 136.30 3ipr h PRO 100 Ca 0.27 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.24 3ipr h PRO 100 Cb 0.32 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 3ipr h PRO 100 CO -0.29 0.59 -0.10 0.52 -0.21 0.00 0.00 178.00 178.51 3ipr h MET 101 N 0.92 0.71 -0.07 1.05 2.86 -1.71 -0.07 114.93 118.62 3ipr h MET 101 Ca 0.45 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 3ipr h MET 101 Cb 0.45 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 3ipr h MET 101 CO -0.21 0.79 -0.06 0.28 1.06 0.00 0.00 176.91 178.78 3ipr h VAL 102 N 0.65 1.36 -0.71 -2.22 2.07 -1.01 0.86 116.25 117.24 3ipr h VAL 102 Ca 0.11 -1.18 0.03 0.00 0.82 0.00 0.00 66.70 66.49 3ipr h VAL 102 Cb 0.55 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 3ipr h VAL 102 CO 0.03 0.32 0.44 -0.07 0.02 0.00 0.00 177.57 178.32 3ipr h LEU 103 N -0.27 0.73 -1.04 2.57 3.38 -0.93 0.76 115.31 120.51 3ipr h LEU 103 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3ipr h LEU 103 Cb 0.55 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3ipr h LEU 103 CO 0.01 0.50 0.27 -0.08 0.09 0.00 0.00 178.44 179.24 3ipr h GLU 104 N 0.86 0.96 -0.31 1.13 4.57 -0.87 -1.37 114.58 119.55 3ipr h GLU 104 Ca 0.29 -0.15 -0.03 0.00 -1.18 0.00 0.00 59.36 58.28 3ipr h GLU 104 Cb 0.02 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 3ipr h GLU 104 CO -0.11 0.78 0.08 0.00 -1.18 0.00 0.00 179.01 178.58 3ipr h ALA 105 N 1.35 0.41 -0.59 2.92 0.00 0.44 -2.25 119.26 121.54 3ipr h ALA 105 Ca 0.22 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3ipr h ALA 105 Cb 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3ipr h ALA 105 CO -0.02 0.06 0.39 0.82 0.00 0.00 0.00 179.25 180.51 3ipr h ILE 106 N 0.34 1.07 -0.42 0.00 2.04 -0.45 -1.42 117.51 118.67 3ipr h ILE 106 Ca 0.10 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 3ipr h ILE 106 Cb 0.28 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3ipr h ILE 106 CO 0.00 0.12 -0.03 0.78 0.00 0.00 0.00 178.15 179.03 3ipr h ASN 107 N 0.68 0.76 0.46 1.72 2.35 -0.89 -2.53 115.58 118.14 3ipr h ASN 107 Ca 0.24 -0.32 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 3ipr h ASN 107 Cb 0.11 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3ipr h ASN 107 CO -0.07 0.90 -0.23 0.45 -1.65 0.00 0.00 177.43 176.84 3ipr h HIS 108 N 0.60 0.00 -0.50 1.19 3.86 -0.76 -0.67 115.15 118.86 3ipr h HIS 108 Ca 0.12 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.25 3ipr h HIS 108 Cb 0.53 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 3ipr h HIS 108 CO 0.04 0.23 -0.02 0.37 0.86 0.00 0.00 177.93 179.41 3ipr h GLN 109 N 0.00 0.84 0.03 2.45 4.15 -0.98 0.16 115.11 121.76 3ipr h GLN 109 Ca -0.00 -0.24 -0.22 0.00 0.77 0.00 0.00 58.65 58.95 3ipr h GLN 109 Cb 0.52 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 3ipr h GLN 109 CO 0.03 0.86 -1.03 -0.07 -1.93 0.00 0.00 178.83 176.68 3ipr h LEU 110 N 0.78 0.12 0.00 -2.39 4.07 -0.88 -3.27 115.31 113.74 3ipr h LEU 110 Ca 0.15 -0.12 -0.10 0.00 0.08 0.00 0.00 57.88 57.88 3ipr h LEU 110 Cb 0.49 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 3ipr h LEU 110 CO 0.02 1.07 -0.50 -0.07 -1.08 0.00 0.00 178.44 177.89 3ipr h LEU 111 N 0.03 0.00 0.13 1.67 3.38 -0.88 -3.47 115.31 116.16 3ipr h LEU 111 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3ipr h LEU 111 Cb 1.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.52 3ipr h LEU 111 CO 0.15 0.46 -0.03 0.61 0.09 0.00 0.00 178.44 179.72 3ipr n GLY 112 N 1.22 0.39 3.74 0.83 0.00 0.51 -4.98 105.19 106.90 3ipr n GLY 112 Ca 0.02 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 3ipr n GLY 112 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ipr n THR 113 N -3.54 1.39 -1.85 2.61 -1.04 -0.95 -4.91 114.28 105.99 3ipr n THR 113 Ca -0.01 -0.35 -0.42 0.00 -2.04 0.00 0.00 64.05 61.23 3ipr n THR 113 Cb 0.30 -1.89 -0.02 0.00 -1.82 0.00 0.00 70.33 66.90 3ipr n THR 113 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3ipr s PRO 114 N -1.09 4.17 0.24 -2.82 0.02 -1.26 -4.75 135.00 129.51 3ipr s PRO 114 Ca 0.60 2.48 -0.06 0.00 0.02 0.00 0.00 61.00 64.05 3ipr s PRO 114 Cb -0.51 -3.07 0.41 0.00 0.02 0.00 0.00 34.50 31.35 3ipr s PRO 114 CO 0.54 -0.60 1.73 0.97 -0.33 0.00 0.00 177.00 179.31 3ipr h ILE 115 N 3.60 0.67 -0.02 2.83 2.10 -1.91 0.31 117.51 125.08 3ipr h ILE 115 Ca -0.45 -0.14 0.01 0.00 1.08 0.00 0.00 64.86 65.35 3ipr h ILE 115 Cb 1.21 0.22 -0.00 0.00 -1.09 0.00 0.00 36.82 37.16 3ipr h ILE 115 CO 0.84 0.08 0.02 0.00 -1.08 0.00 0.00 178.15 178.00 3ipr h ALA 116 N 1.52 1.90 0.09 0.18 0.00 -1.94 0.10 119.26 121.12 3ipr h ALA 116 Ca 0.39 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 55.03 3ipr h ALA 116 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3ipr h ALA 116 CO -0.39 -0.03 -1.28 1.49 0.00 0.00 0.00 179.25 179.03 3ipr h GLU 117 N 0.00 0.20 -0.33 0.00 4.81 -1.37 -3.23 114.58 114.65 3ipr h GLU 117 Ca 0.01 -0.34 -0.18 0.00 -0.13 0.00 0.00 59.36 58.73 3ipr h GLU 117 Cb 0.05 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 3ipr h GLU 117 CO -0.00 1.12 -0.48 0.00 -0.73 0.00 0.00 179.01 178.92 3ipr h ALA 118 N 0.66 0.51 -0.45 2.92 0.00 0.28 -2.92 119.26 120.25 3ipr h ALA 118 Ca -0.14 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 3ipr h ALA 118 Cb 1.94 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 3ipr h ALA 118 CO 0.17 0.68 0.28 0.00 0.00 0.00 0.00 179.25 180.38 3ipr h ALA 119 N 0.72 0.57 -0.22 0.00 0.00 -1.15 0.03 119.26 119.21 3ipr h ALA 119 Ca 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3ipr h ALA 119 Cb 1.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3ipr h ALA 119 CO 0.11 0.05 -0.02 1.96 0.00 0.00 0.00 179.25 181.35 3ipr h GLN 120 N 0.60 0.33 0.02 0.00 4.20 -1.57 -1.69 115.11 117.00 3ipr h GLN 120 Ca 0.16 -0.06 -0.21 0.00 0.06 0.00 0.00 58.65 58.61 3ipr h GLN 120 Cb -0.02 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3ipr h GLN 120 CO -0.03 0.38 -0.94 0.00 -0.67 0.00 0.00 178.83 177.56 3ipr h ALA 121 N 1.66 0.44 -0.30 3.87 0.00 -1.22 -2.60 119.26 121.12 3ipr h ALA 121 Ca 0.07 -0.77 -0.16 0.00 0.00 0.00 0.00 54.91 54.05 3ipr h ALA 121 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ipr h ALA 121 CO 0.01 0.97 -0.46 0.82 0.00 0.00 0.00 179.25 180.59 3ipr h ILE 122 N 0.08 1.29 -0.54 0.00 2.04 -0.56 -2.15 117.51 117.66 3ipr h ILE 122 Ca -0.05 -1.65 -0.06 0.00 1.00 0.00 0.00 64.86 64.10 3ipr h ILE 122 Cb 1.61 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 39.20 3ipr h ILE 122 CO 0.14 0.54 0.11 0.58 0.00 0.00 0.00 178.15 179.52 3ipr h VAL 123 N 0.63 1.25 -0.17 1.67 2.07 -1.33 -0.41 116.25 119.96 3ipr h VAL 123 Ca 0.04 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 3ipr h VAL 123 Cb 1.03 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3ipr h VAL 123 CO 0.10 0.33 0.08 0.00 0.02 0.00 0.00 177.57 178.10 3ipr h ALA 124 N 1.00 0.22 -0.61 1.67 0.00 -1.37 -1.75 119.26 118.43 3ipr h ALA 124 Ca 0.17 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3ipr h ALA 124 Cb 0.37 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3ipr h ALA 124 CO 0.01 -0.21 0.02 0.37 0.00 0.00 0.00 179.25 179.43 3ipr h GLN 125 N 0.14 1.06 -0.27 0.00 5.75 -1.33 -1.57 115.11 118.89 3ipr h GLN 125 Ca 0.06 -0.32 0.02 0.00 -0.15 0.00 0.00 58.65 58.25 3ipr h GLN 125 Cb 0.13 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 3ipr h GLN 125 CO -0.01 1.02 0.13 0.78 -2.65 0.00 0.00 178.83 178.10 3ipr h GLY 126 N 1.00 0.35 1.03 2.39 0.00 -0.91 0.11 103.07 107.05 3ipr h GLY 126 Ca 0.18 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.36 3ipr h GLY 126 CO 0.03 0.07 0.20 0.50 0.00 0.00 0.00 176.54 177.34 3ipr h LYS 127 N 0.27 1.04 0.00 4.80 1.57 -1.22 -2.65 116.57 120.38 3ipr h LYS 127 Ca 0.11 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 3ipr h LYS 127 Cb 0.04 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3ipr h LYS 127 CO -0.08 0.91 -0.25 1.49 -0.57 0.00 0.00 179.45 180.94 3ipr h GLU 128 N 0.98 0.00 0.00 3.15 4.57 -0.85 -2.94 114.58 119.48 3ipr h GLU 128 Ca 0.21 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.34 3ipr h GLU 128 Cb 0.31 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 3ipr h GLU 128 CO -0.01 0.25 -0.27 0.66 -1.18 0.00 0.00 179.01 178.47 3ipr h SER 129 N 0.00 0.00 -3.40 1.04 4.64 -0.42 -3.43 113.55 111.99 3ipr h SER 129 Ca -0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3ipr h SER 129 Cb 0.56 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.59 3ipr h SER 129 CO 0.03 0.27 1.00 -0.69 -0.87 0.00 0.00 176.83 176.57 3ipr s VAL 130 N -3.33 4.04 0.18 0.95 1.01 -1.11 -4.98 120.40 117.15 3ipr s VAL 130 Ca 0.03 1.01 -0.07 0.00 0.00 0.00 0.00 61.98 62.96 3ipr s VAL 130 Cb 0.08 -4.52 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 3ipr s VAL 130 CO 0.67 -1.04 0.25 -1.10 0.00 0.00 0.00 175.10 173.88 3ipr s GLN 131 N 4.82 1.19 -0.01 2.72 -0.21 -1.26 -5.05 119.66 121.85 3ipr s GLN 131 Ca 0.51 -1.32 0.03 0.00 0.02 0.00 0.00 55.36 54.60 3ipr s GLN 131 Cb -0.09 0.35 -0.01 0.00 1.00 0.00 0.00 33.01 34.26 3ipr s GLN 131 CO 0.30 -0.42 -0.10 0.00 -2.12 0.00 0.00 175.29 172.94 3ipr s ALA 132 N -4.03 0.90 0.03 6.09 0.00 -1.26 -5.15 121.76 118.35 3ipr s ALA 132 Ca 0.23 -0.44 0.06 0.00 0.00 0.00 0.00 51.96 51.82 3ipr s ALA 132 Cb 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 3ipr s ALA 132 CO 0.04 0.20 -0.18 -0.46 0.00 0.00 0.00 175.76 175.36 3ipr s TRP 133 N -0.15 1.63 0.02 0.00 -0.00 -1.26 -5.14 118.94 114.03 3ipr s TRP 133 Ca 0.02 -0.35 -0.17 0.00 -0.00 0.00 0.00 56.10 55.60 3ipr s TRP 133 Cb -0.05 -0.98 0.03 0.00 -0.00 0.00 0.00 33.47 32.47 3ipr s TRP 133 CO -0.00 0.06 0.38 0.16 -0.00 0.00 0.00 176.95 177.55 3ipr s ASP 134 N -1.03 -0.26 0.59 5.86 1.47 -1.26 -5.04 116.67 117.01 3ipr s ASP 134 Ca 0.06 0.05 0.32 0.00 1.18 0.00 0.00 52.55 54.16 3ipr s ASP 134 Cb -0.08 0.39 1.18 0.00 -0.34 0.00 0.00 42.92 44.06 3ipr s ASP 134 CO 0.01 -0.59 1.46 -0.29 0.68 0.00 0.00 175.17 176.44 3ipr h ILE 135 N 3.30 0.07 0.00 2.11 6.09 -2.01 -0.05 117.51 127.03 3ipr h ILE 135 Ca -0.30 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.14 3ipr h ILE 135 Cb 1.19 0.11 -0.01 0.00 0.47 0.00 0.00 36.82 38.58 3ipr h ILE 135 CO 0.43 0.00 -0.21 0.77 -3.07 0.00 0.00 178.15 176.06 3ipr h SER 136 N 0.00 0.00 0.64 2.19 4.64 -1.96 -1.74 113.55 117.31 3ipr h SER 136 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3ipr h SER 136 Cb 2.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.90 3ipr h SER 136 CO -0.01 0.21 0.00 0.23 -0.87 0.00 0.00 176.83 176.40 3ipr n MET 137 N -4.15 0.02 0.00 4.77 2.81 -0.03 -2.53 117.12 118.01 3ipr n MET 137 Ca -0.02 0.22 0.03 0.00 -1.81 0.00 0.00 57.70 56.11 3ipr n MET 137 Cb 0.28 -1.54 -0.02 0.00 -0.71 0.00 0.00 33.22 31.23 3ipr n MET 137 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 3ipr n THR 138 N -1.58 0.00 -3.45 2.03 5.66 -0.73 -5.00 114.28 111.21 3ipr n THR 138 Ca 0.04 -0.40 -0.38 0.00 -3.05 0.00 0.00 64.05 60.26 3ipr n THR 138 Cb 0.21 1.03 -0.06 0.00 -1.55 0.00 0.00 70.33 69.97 3ipr n THR 138 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3ipr s SER 139 N -1.26 6.82 0.00 1.09 1.04 -0.74 -5.13 113.70 115.52 3ipr s SER 139 Ca 0.03 0.97 0.00 0.00 0.48 0.00 0.00 55.95 57.43 3ipr s SER 139 Cb 0.04 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.89 3ipr s SER 139 CO 0.18 0.27 0.33 0.49 0.98 0.00 0.00 173.24 175.49