#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ipr s LEU 2 N 0.00 4.45 0.13 3.17 2.96 -1.26 -4.35 118.68 123.78 3ipr s LEU 2 Ca 0.00 2.52 -0.02 0.00 -0.22 0.00 0.00 54.13 56.41 3ipr s LEU 2 Cb 0.00 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 3ipr s LEU 2 CO 0.00 -0.44 0.32 -0.83 -1.32 0.00 0.00 176.35 174.08 3ipr s GLY 3 N -0.37 2.11 -0.05 7.98 0.00 0.03 -4.92 107.32 112.09 3ipr s GLY 3 Ca 0.50 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 44.51 3ipr s GLY 3 CO 0.46 -0.68 -0.10 -0.42 0.00 0.00 0.00 173.10 172.36 3ipr s ILE 4 N -1.65 0.93 -0.16 0.90 1.01 -0.52 -0.46 121.20 121.24 3ipr s ILE 4 Ca 0.38 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.67 3ipr s ILE 4 Cb -0.12 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.51 3ipr s ILE 4 CO 0.27 0.31 -0.15 -0.69 0.00 0.00 0.00 174.94 174.68 3ipr s VAL 5 N 0.67 1.69 -0.24 2.92 1.01 -0.14 0.34 120.40 126.65 3ipr s VAL 5 Ca -0.12 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 3ipr s VAL 5 Cb -0.15 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 3ipr s VAL 5 CO 0.02 0.43 0.06 -0.63 0.00 0.00 0.00 175.10 174.98 3ipr s ILE 6 N 1.43 4.24 -0.08 2.22 1.01 0.61 -0.21 121.20 130.42 3ipr s ILE 6 Ca 0.04 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.51 3ipr s ILE 6 Cb -0.13 -2.98 0.01 0.00 0.01 0.00 0.00 42.46 39.37 3ipr s ILE 6 CO -0.11 0.35 -0.14 0.00 0.00 0.00 0.00 174.94 175.05 3ipr s ALA 7 N 1.54 1.45 0.31 9.38 0.00 0.18 -0.20 121.76 134.43 3ipr s ALA 7 Ca 0.06 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.40 3ipr s ALA 7 Cb -0.15 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.30 3ipr s ALA 7 CO 0.03 0.05 0.49 0.95 0.00 0.00 0.00 175.76 177.28 3ipr s THR 8 N 0.78 0.00 0.45 0.00 -4.23 -0.60 -2.90 115.64 109.14 3ipr s THR 8 Ca -0.12 -1.50 -0.20 0.00 -1.18 0.00 0.00 61.69 58.69 3ipr s THR 8 Cb -0.16 -2.52 -0.10 0.00 1.34 0.00 0.00 72.50 71.06 3ipr s THR 8 CO 0.02 0.00 0.95 -1.00 -0.54 0.00 0.00 174.62 174.05 3ipr s HIS 9 N -3.33 3.35 0.00 3.99 3.76 -1.26 -0.92 115.29 120.88 3ipr s HIS 9 Ca 0.27 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.74 3ipr s HIS 9 Cb -0.01 -2.82 0.00 0.00 1.11 0.00 0.00 32.58 30.86 3ipr s HIS 9 CO 0.16 -0.17 0.00 0.41 -0.85 0.00 0.00 174.74 174.28 3ipr n GLY 10 N -0.88 0.92 1.09 -2.22 0.00 -0.47 -3.53 105.19 100.10 3ipr n GLY 10 Ca 0.07 -0.77 0.06 0.00 0.00 0.00 0.00 46.02 45.37 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 2.65 2.90 -0.28 4.61 0.00 -1.26 -4.28 120.51 124.84 3ipr n ALA 11 Ca 0.00 -0.97 0.07 0.00 0.00 0.00 0.00 53.44 52.55 3ipr n ALA 11 Cb 0.00 -1.02 0.22 0.00 0.00 0.00 0.00 19.45 18.65 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 2.49 0.36 -0.96 0.00 5.85 -1.90 0.21 115.31 121.36 3ipr h LEU 12 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3ipr h LEU 12 Cb 1.00 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 3ipr h LEU 12 CO 0.15 0.12 0.61 0.77 -0.34 0.00 0.00 178.44 179.75 3ipr h SER 13 N 0.49 1.12 0.03 1.25 4.64 -1.84 -0.89 113.55 118.34 3ipr h SER 13 Ca 0.46 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3ipr h SER 13 Cb 0.72 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3ipr h SER 13 CO -0.42 0.84 -0.01 0.44 -0.87 0.00 0.00 176.83 176.80 3ipr h ASP 14 N 1.31 -0.03 -0.63 4.97 3.32 -0.98 -2.43 116.42 121.95 3ipr h ASP 14 Ca 0.35 -0.23 0.03 0.00 0.02 0.00 0.00 57.03 57.20 3ipr h ASP 14 Cb -0.11 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 3ipr h ASP 14 CO -0.07 0.22 0.42 1.23 -1.72 0.00 0.00 179.24 179.31 3ipr h GLY 15 N -0.28 0.84 1.02 2.75 0.00 -0.87 0.46 103.07 107.00 3ipr h GLY 15 Ca -0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 3ipr h GLY 15 CO 0.01 0.26 -0.03 0.00 0.00 0.00 0.00 176.54 176.77 3ipr h ALA 16 N 1.63 0.67 -0.24 3.60 0.00 -1.08 0.37 119.26 124.21 3ipr h ALA 16 Ca 0.25 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3ipr h ALA 16 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ipr h ALA 16 CO -0.07 0.50 -0.34 -0.22 0.00 0.00 0.00 179.25 179.12 3ipr h LYS 17 N 0.75 0.52 -0.35 0.00 3.64 -0.88 -1.25 116.57 118.99 3ipr h LYS 17 Ca 0.14 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 3ipr h LYS 17 Cb 0.56 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 3ipr h LYS 17 CO 0.03 0.79 0.02 0.22 -2.27 0.00 0.00 179.45 178.24 3ipr h ASP 18 N 0.44 0.58 -0.76 4.20 3.58 -0.53 0.06 116.42 123.99 3ipr h ASP 18 Ca 0.05 -0.29 -0.04 0.00 0.42 0.00 0.00 57.03 57.16 3ipr h ASP 18 Cb 0.81 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.67 3ipr h ASP 18 CO 0.07 0.73 0.31 0.00 -2.88 0.00 0.00 179.24 177.47 3ipr h ALA 19 N 0.87 0.99 -0.26 -0.78 0.00 -0.04 -1.45 119.26 118.60 3ipr h ALA 19 Ca 0.10 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3ipr h ALA 19 Cb 0.42 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ipr h ALA 19 CO 0.01 0.60 -0.24 0.00 0.00 0.00 0.00 179.25 179.63 3ipr h ALA 20 N 1.16 1.10 -0.43 0.00 0.00 -1.08 -2.82 119.26 117.19 3ipr h ALA 20 Ca 0.25 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3ipr h ALA 20 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ipr h ALA 20 CO -0.02 0.56 -0.19 1.15 0.00 0.00 0.00 179.25 180.74 3ipr h THR 21 N 0.43 1.27 -0.87 0.00 2.02 -0.26 0.18 112.91 115.69 3ipr h THR 21 Ca 0.07 -1.32 0.02 0.00 0.77 0.00 0.00 66.41 65.94 3ipr h THR 21 Cb 0.66 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 3ipr h THR 21 CO 0.05 0.45 0.57 0.58 0.37 0.00 0.00 175.52 177.54 3ipr h VAL 22 N 0.74 1.20 0.13 3.16 2.07 -1.06 0.34 116.25 122.83 3ipr h VAL 22 Ca 0.11 -0.40 -0.18 0.00 0.82 0.00 0.00 66.70 67.05 3ipr h VAL 22 Cb 0.72 -0.05 0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3ipr h VAL 22 CO 0.06 0.21 -0.82 0.40 0.02 0.00 0.00 177.57 177.44 3ipr h ILE 23 N 1.15 1.48 0.10 4.57 2.04 -1.31 -3.38 117.51 122.17 3ipr h ILE 23 Ca 0.33 -2.51 -0.26 0.00 1.00 0.00 0.00 64.86 63.42 3ipr h ILE 23 Cb -0.10 3.16 -0.00 0.00 -0.74 0.00 0.00 36.82 39.14 3ipr h ILE 23 CO -0.08 0.70 -1.20 -0.03 0.00 0.00 0.00 178.15 177.55 3ipr h MET 24 N -0.42 0.20 0.00 2.37 4.05 -0.65 -3.48 114.93 117.01 3ipr h MET 24 Ca -0.15 -0.35 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 3ipr h MET 24 Cb 1.60 0.13 0.00 0.00 -0.80 0.00 0.00 31.60 32.53 3ipr h MET 24 CO 0.13 1.16 0.00 0.41 0.23 0.00 0.00 176.91 178.84 3ipr n GLY 25 N 1.49 2.85 3.59 1.39 0.00 0.12 -4.96 105.19 109.67 3ipr n GLY 25 Ca -0.07 -0.49 -0.04 0.00 0.00 0.00 0.00 46.02 45.42 3ipr n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ipr s ALA 26 N -1.69 -2.04 0.04 4.61 0.00 -1.25 -4.90 121.76 116.53 3ipr s ALA 26 Ca 0.00 1.33 -0.01 0.00 0.00 0.00 0.00 51.96 53.28 3ipr s ALA 26 Cb 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 3ipr s ALA 26 CO 0.00 -0.69 -0.03 0.95 0.00 0.00 0.00 175.76 175.99 3ipr s THR 27 N -2.57 0.22 0.07 0.00 -4.23 -1.26 -4.90 115.64 102.96 3ipr s THR 27 Ca 0.09 -1.56 0.05 0.00 -1.18 0.00 0.00 61.69 59.09 3ipr s THR 27 Cb -0.00 -1.18 -0.03 0.00 1.34 0.00 0.00 72.50 72.63 3ipr s THR 27 CO -0.05 -0.85 -0.14 -0.70 -0.54 0.00 0.00 174.62 172.34 3ipr s GLU 28 N -3.22 0.83 -1.59 3.99 2.12 -1.26 -4.85 118.70 114.72 3ipr s GLU 28 Ca 0.01 -0.92 -0.12 0.00 0.36 0.00 0.00 54.97 54.30 3ipr s GLU 28 Cb 0.03 -0.83 0.10 0.00 0.26 0.00 0.00 34.13 33.68 3ipr s GLU 28 CO -0.07 0.19 0.68 0.09 -0.54 0.00 0.00 175.26 175.61 3ipr n ASN 29 N 1.38 -2.45 -4.15 -1.70 5.03 -1.26 -4.87 115.26 107.22 3ipr n ASN 29 Ca -0.21 -0.99 -0.34 0.00 0.87 0.00 0.00 54.58 53.92 3ipr n ASN 29 Cb 0.54 -2.97 -0.14 0.00 -1.02 0.00 0.00 39.78 36.18 3ipr n ASN 29 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3ipr s ILE 30 N -3.52 2.66 -0.04 2.41 1.01 -1.26 -1.43 121.20 121.03 3ipr s ILE 30 Ca 0.48 -1.26 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 3ipr s ILE 30 Cb -0.26 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 3ipr s ILE 30 CO 0.90 0.09 0.15 -0.70 0.00 0.00 0.00 174.94 175.39 3ipr s GLU 31 N 1.25 3.36 -0.01 2.79 2.56 0.15 -4.99 118.70 123.81 3ipr s GLU 31 Ca -0.03 -0.30 0.08 0.00 0.00 0.00 0.00 54.97 54.72 3ipr s GLU 31 Cb -0.18 -3.07 -0.02 0.00 2.00 0.00 0.00 34.13 32.86 3ipr s GLU 31 CO -0.04 0.70 -0.24 0.95 -0.56 0.00 0.00 175.26 176.07 3ipr s THR 32 N -1.21 1.90 -0.01 -1.70 -4.23 -1.26 -0.29 115.64 108.85 3ipr s THR 32 Ca 0.23 -1.06 0.03 0.00 -1.18 0.00 0.00 61.69 59.70 3ipr s THR 32 Cb -0.12 -1.59 -0.01 0.00 1.34 0.00 0.00 72.50 72.13 3ipr s THR 32 CO 0.13 0.51 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.93 3ipr s VAL 33 N -0.59 0.76 0.05 2.29 1.01 0.72 -4.94 120.40 119.70 3ipr s VAL 33 Ca 0.09 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.74 3ipr s VAL 33 Cb -0.09 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 3ipr s VAL 33 CO -0.01 0.22 -0.20 0.20 0.00 0.00 0.00 175.10 175.31 3ipr s ASN 34 N -0.17 2.42 -0.30 3.32 -0.87 -1.26 -1.56 114.94 116.52 3ipr s ASN 34 Ca 0.03 -0.54 0.03 0.00 -1.57 0.00 0.00 52.86 50.81 3ipr s ASN 34 Cb -0.04 -0.19 0.08 0.00 -0.02 0.00 0.00 41.25 41.08 3ipr s ASN 34 CO -0.00 0.14 -0.03 -0.22 -2.57 0.00 0.00 177.10 174.41 3ipr s LEU 35 N -1.27 4.02 0.51 0.60 2.96 -0.10 -4.94 118.68 120.46 3ipr s LEU 35 Ca 0.07 -1.75 0.08 0.00 -0.22 0.00 0.00 54.13 52.31 3ipr s LEU 35 Cb -0.09 -1.56 0.04 0.00 0.50 0.00 0.00 46.19 45.08 3ipr s LEU 35 CO 0.02 -0.28 0.56 0.20 -1.32 0.00 0.00 176.35 175.52 3ipr s ASN 36 N 1.02 5.01 0.23 3.68 0.01 -1.26 -1.37 114.94 122.27 3ipr s ASN 36 Ca 0.01 -0.90 -0.31 0.00 -0.71 0.00 0.00 52.86 50.94 3ipr s ASN 36 Cb -0.19 0.04 -0.12 0.00 0.41 0.00 0.00 41.25 41.38 3ipr s ASN 36 CO -0.07 -1.05 1.69 -1.20 -1.51 0.00 0.00 177.10 174.96 3ipr n SER 37 N -1.90 3.96 0.00 -1.22 7.64 -1.26 -1.68 113.62 119.16 3ipr n SER 37 Ca 0.07 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3ipr n SER 37 Cb 0.62 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 3ipr n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ipr n GLY 38 N 3.43 3.03 3.66 0.23 0.00 -1.26 -5.00 105.19 109.28 3ipr n GLY 38 Ca 0.14 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.68 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 0.21 2.88 -4.68 1.61 9.92 -0.68 -4.87 116.55 120.94 3ipr n ASP 39 Ca 0.00 1.08 -0.42 0.00 -0.53 0.00 0.00 54.79 54.91 3ipr n ASP 39 Cb 0.00 -1.37 -0.03 0.00 -0.64 0.00 0.00 41.12 39.08 3ipr n ASP 39 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3ipr s ASP 40 N 1.27 6.66 0.51 -2.24 -1.08 -1.26 -4.86 116.67 115.66 3ipr s ASP 40 Ca 0.82 2.36 0.21 0.00 -0.52 0.00 0.00 52.55 55.42 3ipr s ASP 40 Cb -0.74 -2.55 1.29 0.00 -1.46 0.00 0.00 42.92 39.46 3ipr s ASP 40 CO 0.42 -0.87 2.02 0.58 0.52 0.00 0.00 175.17 177.83 3ipr h VAL 41 N 5.05 0.81 -0.27 1.11 2.07 -1.97 -1.99 116.25 121.07 3ipr h VAL 41 Ca -0.41 -0.03 -0.10 0.00 0.82 0.00 0.00 66.70 66.97 3ipr h VAL 41 Cb 1.19 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3ipr h VAL 41 CO 0.93 0.02 -0.24 -0.61 0.02 0.00 0.00 177.57 177.69 3ipr h GLN 42 N 0.10 0.64 0.00 1.57 -0.00 -2.01 -2.52 115.11 112.90 3ipr h GLN 42 Ca 0.22 -0.33 0.00 0.00 -0.00 0.00 0.00 58.65 58.54 3ipr h GLN 42 Cb 0.74 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.23 3ipr h GLN 42 CO -0.02 0.93 0.00 0.00 0.00 0.00 0.00 178.83 179.73 3ipr n ALA 43 N -2.47 1.49 0.03 3.38 0.00 -0.76 -2.09 120.51 120.09 3ipr n ALA 43 Ca -0.04 -0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.17 3ipr n ALA 43 Cb 0.44 -1.16 -0.13 0.00 0.00 0.00 0.00 19.45 18.60 3ipr n ALA 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ipr h LEU 44 N 0.00 0.50 -1.60 0.00 5.85 -1.26 -2.83 115.31 115.97 3ipr h LEU 44 Ca 0.00 -0.87 -0.01 0.00 0.84 0.00 0.00 57.88 57.84 3ipr h LEU 44 Cb 0.14 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3ipr h LEU 44 CO 0.00 1.31 0.13 1.23 -0.34 0.00 0.00 178.44 180.77 3ipr h GLY 45 N -0.25 0.42 1.29 3.75 0.00 -1.42 0.13 103.07 106.99 3ipr h GLY 45 Ca -0.11 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 3ipr h GLY 45 CO 0.14 0.17 -0.10 -1.33 0.00 0.00 0.00 176.54 175.42 3ipr h GLY 46 N 0.51 0.90 1.49 4.60 0.00 -1.52 0.11 103.07 109.16 3ipr h GLY 46 Ca 0.10 -0.68 -0.17 0.00 0.00 0.00 0.00 47.33 46.58 3ipr h GLY 46 CO -0.01 0.63 -0.60 1.46 0.00 0.00 0.00 176.54 178.01 3ipr h GLN 47 N 0.76 0.53 -0.36 4.80 4.20 -1.05 -2.28 115.11 121.71 3ipr h GLN 47 Ca 0.13 -0.36 -0.12 0.00 0.06 0.00 0.00 58.65 58.36 3ipr h GLN 47 Cb 0.59 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 3ipr h GLN 47 CO 0.04 0.97 -0.26 0.82 -0.67 0.00 0.00 178.83 179.73 3ipr h ILE 48 N 0.39 1.27 -0.41 2.54 2.04 -0.73 0.27 117.51 122.89 3ipr h ILE 48 Ca -0.00 -1.37 -0.08 0.00 1.00 0.00 0.00 64.86 64.40 3ipr h ILE 48 Cb 1.16 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 3ipr h ILE 48 CO 0.11 0.45 -0.06 0.50 0.00 0.00 0.00 178.15 179.15 3ipr h LYS 49 N 0.63 0.76 -0.24 2.37 3.64 -0.91 -1.58 116.57 121.26 3ipr h LYS 49 Ca 0.08 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 3ipr h LYS 49 Cb 0.76 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 3ipr h LYS 49 CO 0.06 0.88 0.03 1.15 -2.27 0.00 0.00 179.45 179.30 3ipr h THR 50 N 0.58 1.23 -0.72 1.00 2.02 -1.21 -1.56 112.91 114.26 3ipr h THR 50 Ca 0.11 -0.79 0.07 0.00 0.77 0.00 0.00 66.41 66.57 3ipr h THR 50 Cb 0.57 1.30 -0.06 0.00 -1.74 0.00 0.00 68.15 68.22 3ipr h THR 50 CO 0.03 0.25 0.39 0.00 0.37 0.00 0.00 175.52 176.56 3ipr h ALA 51 N 0.84 0.98 -0.90 6.16 0.00 -0.89 -0.83 119.26 124.63 3ipr h ALA 51 Ca 0.07 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3ipr h ALA 51 Cb 0.34 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3ipr h ALA 51 CO 0.01 0.04 0.59 0.82 0.00 0.00 0.00 179.25 180.71 3ipr h ILE 52 N 0.69 1.21 -0.77 0.00 2.04 -0.94 -1.90 117.51 117.84 3ipr h ILE 52 Ca 0.33 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 3ipr h ILE 52 Cb 0.27 -0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.23 3ipr h ILE 52 CO -0.22 0.22 0.34 -0.33 0.00 0.00 0.00 178.15 178.16 3ipr h GLU 53 N 1.19 1.11 0.00 2.37 5.08 -0.18 -1.98 114.58 122.17 3ipr h GLU 53 Ca 0.34 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3ipr h GLU 53 Cb -0.11 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 28.95 3ipr h GLU 53 CO -0.08 0.87 0.00 0.09 -1.00 0.00 0.00 179.01 178.89 3ipr n ASN 54 N -4.30 0.12 0.00 1.42 3.02 -0.51 -3.09 115.26 111.91 3ipr n ASN 54 Ca 0.07 0.53 0.00 0.00 -0.03 0.00 0.00 54.58 55.15 3ipr n ASN 54 Cb 0.15 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 3ipr n ASN 54 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3ipr n VAL 55 N -1.63 0.19 -2.06 2.41 0.24 -1.07 -5.01 118.33 111.40 3ipr n VAL 55 Ca 0.03 -0.46 -0.42 0.00 -2.04 0.00 0.00 64.34 61.45 3ipr n VAL 55 Cb 0.16 1.10 -0.03 0.00 -1.47 0.00 0.00 33.84 33.60 3ipr n VAL 55 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3ipr s GLN 56 N -0.19 3.16 -0.10 7.34 2.00 -0.77 -3.93 119.66 127.17 3ipr s GLN 56 Ca 0.00 1.13 0.14 0.00 -2.00 0.00 0.00 55.36 54.63 3ipr s GLN 56 Cb 0.00 -4.23 0.26 0.00 0.80 0.00 0.00 33.01 29.83 3ipr s GLN 56 CO 0.00 -2.08 1.13 1.04 -0.50 0.00 0.00 175.29 174.88 3ipr n GLN 57 N 8.60 0.94 -1.00 1.67 6.02 -1.26 -4.97 117.38 127.38 3ipr n GLN 57 Ca 0.21 -2.29 0.00 0.00 -0.01 0.00 0.00 57.00 54.91 3ipr n GLN 57 Cb 0.48 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.57 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 -0.90 0.37 0.14 1.08 0.00 -1.26 -4.66 105.19 99.96 3ipr n GLY 58 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.20 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 2.38 0.00 1.61 8.00 -1.26 -5.07 116.55 121.94 3ipr n ASP 59 Ca 0.00 -2.63 0.00 0.00 0.71 0.00 0.00 54.79 52.87 3ipr n ASP 59 Cb 0.13 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 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 -0.91 0.92 3.12 0.44 0.00 -1.26 -4.29 105.19 103.21 3ipr n GLY 60 Ca 0.10 -1.63 -0.23 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.50 1.16 -0.17 1.61 1.01 -0.11 -0.79 120.40 120.62 3ipr s VAL 61 Ca 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3ipr s VAL 61 Cb 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.42 3ipr s VAL 61 CO 0.00 0.31 -0.19 -0.22 0.00 0.00 0.00 175.10 175.00 3ipr s LEU 62 N -0.40 2.21 -0.38 3.92 2.96 0.39 -1.67 118.68 125.71 3ipr s LEU 62 Ca 0.05 -0.60 -0.10 0.00 -0.22 0.00 0.00 54.13 53.27 3ipr s LEU 62 Cb -0.06 -1.49 0.04 0.00 0.50 0.00 0.00 46.19 45.17 3ipr s LEU 62 CO -0.00 0.04 0.20 -0.69 -1.32 0.00 0.00 176.35 174.57 3ipr s VAL 63 N 1.08 4.43 -0.33 1.68 1.01 0.91 -0.97 120.40 128.22 3ipr s VAL 63 Ca -0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 3ipr s VAL 63 Cb -0.14 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 3ipr s VAL 63 CO -0.07 -0.27 0.32 -0.04 0.00 0.00 0.00 175.10 175.04 3ipr s MET 64 N 1.52 3.63 0.27 2.72 1.00 0.71 -1.22 119.30 127.92 3ipr s MET 64 Ca 0.01 -0.42 0.10 0.00 0.00 0.00 0.00 55.69 55.38 3ipr s MET 64 Cb -0.20 -3.78 -0.04 0.00 0.00 0.00 0.00 34.83 30.81 3ipr s MET 64 CO 0.06 -0.45 -0.01 0.14 0.00 0.00 0.00 175.02 174.76 3ipr s VAL 65 N 1.93 3.38 -0.05 -6.03 -7.23 -0.59 -0.64 120.40 111.17 3ipr s VAL 65 Ca 0.10 -1.93 -0.11 0.00 -1.81 0.00 0.00 61.98 58.23 3ipr s VAL 65 Cb -0.17 -2.82 -0.06 0.00 0.56 0.00 0.00 36.38 33.89 3ipr s VAL 65 CO 0.11 -0.37 0.47 -2.24 -0.31 0.00 0.00 175.10 172.76 3ipr h ASP 66 N 1.89 -0.34 -3.52 4.85 2.03 -1.84 -2.59 116.42 116.90 3ipr h ASP 66 Ca -0.44 0.01 -0.67 0.00 -0.73 0.00 0.00 57.03 55.20 3ipr h ASP 66 Cb 1.25 0.09 -0.27 0.00 -0.83 0.00 0.00 39.33 39.57 3ipr h ASP 66 CO 0.61 0.10 -0.78 -0.76 -1.03 0.00 0.00 179.24 177.37 3ipr s LEU 67 N -8.86 2.66 -0.01 0.15 1.02 -1.26 -0.79 118.68 111.59 3ipr s LEU 67 Ca -0.06 -0.32 -0.30 0.00 0.02 0.00 0.00 54.13 53.47 3ipr s LEU 67 Cb 0.01 -1.58 -0.05 0.00 0.02 0.00 0.00 46.19 44.60 3ipr s LEU 67 CO 0.18 0.21 1.27 -0.22 0.02 0.00 0.00 176.35 177.81 3ipr s LEU 68 N 0.07 4.31 0.00 1.79 2.96 -1.26 -3.14 118.68 123.41 3ipr s LEU 68 Ca -0.06 1.97 0.00 0.00 -0.22 0.00 0.00 54.13 55.82 3ipr s LEU 68 Cb -0.15 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.98 3ipr s LEU 68 CO 0.05 -0.61 0.00 -1.20 -1.32 0.00 0.00 176.35 173.26 3ipr n SER 69 N 5.01 -0.35 -4.85 3.68 7.64 -1.26 -5.06 113.62 118.44 3ipr n SER 69 Ca 0.11 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.78 3ipr n SER 69 Cb 0.45 -0.06 0.07 0.00 -1.01 0.00 0.00 64.21 63.67 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 -3.30 3.98 0.24 -0.43 0.00 -1.19 -4.78 121.76 116.28 3ipr s ALA 70 Ca 0.00 -1.67 -0.06 0.00 0.00 0.00 0.00 51.96 50.23 3ipr s ALA 70 Cb 0.00 -1.92 0.44 0.00 0.00 0.00 0.00 23.12 21.65 3ipr s ALA 70 CO 0.00 -1.07 1.65 0.77 0.00 0.00 0.00 175.76 177.11 3ipr h SER 71 N -0.15 -0.26 -0.62 0.00 0.02 -1.97 -1.16 113.55 109.41 3ipr h SER 71 Ca -0.37 0.18 0.05 0.00 -0.84 0.00 0.00 61.79 60.81 3ipr h SER 71 Cb 1.28 0.31 -0.05 0.00 0.14 0.00 0.00 62.40 64.08 3ipr h SER 71 CO 0.44 -0.15 0.35 -0.65 -1.14 0.00 0.00 176.83 175.68 3ipr h PRO 72 N 0.14 0.64 0.17 3.45 0.11 -1.91 -0.33 132.00 134.27 3ipr h PRO 72 Ca 0.41 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.48 3ipr h PRO 72 Cb 0.73 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.69 3ipr h PRO 72 CO -0.62 0.42 -0.08 -0.92 -0.21 0.00 0.00 178.00 176.59 3ipr h TYR 73 N 0.66 -0.21 -0.62 0.65 3.20 -1.55 -1.79 116.97 117.32 3ipr h TYR 73 Ca 0.27 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.20 3ipr h TYR 73 Cb 0.14 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.42 3ipr h TYR 73 CO -0.08 0.05 0.32 -0.91 -1.64 0.00 0.00 178.16 175.90 3ipr h ASN 74 N -0.45 0.45 -0.53 -2.11 2.35 -1.02 -1.06 115.58 113.20 3ipr h ASN 74 Ca -0.02 0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 3ipr h ASN 74 Cb 0.35 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 3ipr h ASN 74 CO 0.04 0.29 0.01 1.56 -1.65 0.00 0.00 177.43 177.68 3ipr h GLN 75 N 0.59 0.96 0.42 0.81 1.08 -1.07 -0.73 115.11 117.17 3ipr h GLN 75 Ca 0.28 -0.28 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3ipr h GLN 75 Cb 0.21 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.54 3ipr h GLN 75 CO -0.20 0.94 -0.23 0.00 -0.95 0.00 0.00 178.83 178.40 3ipr h ALA 76 N 1.11 -0.61 -0.70 3.87 0.00 -0.52 0.22 119.26 122.63 3ipr h ALA 76 Ca 0.17 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.06 3ipr h ALA 76 Cb 0.51 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 3ipr h ALA 76 CO 0.02 -0.85 0.29 0.28 0.00 0.00 0.00 179.25 178.99 3ipr h VAL 77 N -0.61 0.74 -0.44 0.00 2.07 -1.08 -0.15 116.25 116.78 3ipr h VAL 77 Ca -0.05 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3ipr h VAL 77 Cb 0.49 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3ipr h VAL 77 CO 0.07 0.09 0.19 -0.07 0.02 0.00 0.00 177.57 177.86 3ipr h LEU 78 N 0.47 0.60 -0.08 2.57 3.38 -0.71 -1.78 115.31 119.76 3ipr h LEU 78 Ca 0.36 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.19 3ipr h LEU 78 Cb 0.48 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3ipr h LEU 78 CO -0.34 0.59 0.02 0.58 0.09 0.00 0.00 178.44 179.38 3ipr h VAL 79 N 0.57 0.98 -0.79 1.22 2.07 0.50 -2.34 116.25 118.45 3ipr h VAL 79 Ca 0.15 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.74 3ipr h VAL 79 Cb 0.17 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 3ipr h VAL 79 CO -0.01 0.01 0.44 0.40 0.02 0.00 0.00 177.57 178.43 3ipr h ILE 80 N 0.07 0.91 0.00 4.57 2.04 -0.95 0.70 117.51 124.83 3ipr h ILE 80 Ca 0.04 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3ipr h ILE 80 Cb 0.02 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 3ipr h ILE 80 CO -0.04 0.14 0.00 0.59 0.00 0.00 0.00 178.15 178.84 3ipr n ASN 81 N -4.77 0.23 -0.01 1.72 3.02 -0.68 -2.16 115.26 112.61 3ipr n ASN 81 Ca 0.13 0.59 -0.18 0.00 -0.03 0.00 0.00 54.58 55.09 3ipr n ASN 81 Cb 0.26 -0.63 -0.14 0.00 -0.61 0.00 0.00 39.78 38.67 3ipr n ASN 81 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3ipr n GLU 82 N -1.80 0.73 -0.70 3.52 2.13 0.22 -5.00 120.64 119.74 3ipr n GLU 82 Ca 0.00 0.25 -0.32 0.00 0.66 0.00 0.00 57.16 57.76 3ipr n GLU 82 Cb 0.06 -1.70 0.16 0.00 0.27 0.00 0.00 31.44 30.23 3ipr n GLU 82 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3ipr n LEU 83 N -3.36 -0.50 -4.62 4.31 4.77 -0.92 -4.89 117.00 111.78 3ipr n LEU 83 Ca -0.30 0.15 -0.46 0.00 -0.03 0.00 0.00 56.01 55.36 3ipr n LEU 83 Cb 1.05 -1.18 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3ipr n LEU 83 CO 0.42 -3.23 0.81 -0.62 -1.33 0.00 0.00 177.39 173.44 3ipr n GLU 84 N -2.58 1.61 -0.30 3.23 -0.58 -1.26 -4.80 120.64 115.95 3ipr n GLU 84 Ca 0.05 0.57 0.09 0.00 -0.42 0.00 0.00 57.16 57.45 3ipr n GLU 84 Cb 0.56 -2.10 0.25 0.00 -0.57 0.00 0.00 31.44 29.57 3ipr n GLU 84 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3ipr h PRO 85 N 3.30 0.59 -0.93 3.49 0.11 -1.94 -0.79 132.00 135.82 3ipr h PRO 85 Ca -0.43 -0.04 0.13 0.00 0.11 0.00 0.00 66.00 65.77 3ipr h PRO 85 Cb 1.31 -0.13 -0.09 0.00 0.11 0.00 0.00 31.00 32.20 3ipr h PRO 85 CO 0.69 0.39 0.56 0.00 -0.21 0.00 0.00 178.00 179.43 3ipr h ALA 86 N 1.59 1.41 -0.46 -0.75 0.00 -2.01 -2.28 119.26 116.75 3ipr h ALA 86 Ca 0.49 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.30 3ipr h ALA 86 Cb 0.74 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ipr h ALA 86 CO -0.39 0.11 -0.25 -0.07 0.00 0.00 0.00 179.25 178.65 3ipr h LEU 87 N 0.86 1.02 -1.98 0.00 3.38 -1.49 -3.09 115.31 114.00 3ipr h LEU 87 Ca 0.48 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3ipr h LEU 87 Cb 0.53 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3ipr h LEU 87 CO -0.29 1.21 0.39 1.56 0.09 0.00 0.00 178.44 181.40 3ipr h GLN 88 N 0.83 0.00 0.00 1.13 4.20 -1.16 0.67 115.11 120.78 3ipr h GLN 88 Ca 0.10 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 3ipr h GLN 88 Cb 0.84 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 3ipr h GLN 88 CO 0.07 0.00 -0.32 0.87 -0.67 0.00 0.00 178.83 178.78 3ipr h LYS 89 N 0.00 0.00 -0.42 1.46 1.57 -1.57 -3.09 116.57 114.53 3ipr h LYS 89 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3ipr h LYS 89 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3ipr h LYS 89 CO -0.00 0.32 0.00 1.63 -0.57 0.00 0.00 179.45 180.83 3ipr n LYS 90 N -3.90 3.76 -4.29 3.15 5.02 0.22 -4.91 118.16 117.22 3ipr n LYS 90 Ca -0.02 -2.94 -0.33 0.00 -2.02 0.00 0.00 58.31 53.00 3ipr n LYS 90 Cb 0.39 -1.99 -0.16 0.00 -0.02 0.00 0.00 35.03 33.26 3ipr n LYS 90 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ipr s ILE 91 N -2.64 2.43 0.02 -0.18 1.01 -1.17 -0.94 121.20 119.73 3ipr s ILE 91 Ca 0.47 -0.83 0.09 0.00 0.00 0.00 0.00 60.65 60.38 3ipr s ILE 91 Cb 0.36 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 3ipr s ILE 91 CO 0.13 0.52 -0.26 -0.36 0.00 0.00 0.00 174.94 174.97 3ipr s PHE 92 N 1.11 2.31 -0.21 3.97 0.40 -0.67 -4.99 117.98 119.91 3ipr s PHE 92 Ca 0.00 -0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 55.91 3ipr s PHE 92 Cb -0.14 -1.42 0.02 0.00 0.51 0.00 0.00 43.02 41.98 3ipr s PHE 92 CO -0.06 0.06 -0.13 0.08 0.70 0.00 0.00 175.22 175.86 3ipr s VAL 93 N -0.72 2.54 0.02 -0.44 1.01 -1.26 -0.06 120.40 121.48 3ipr s VAL 93 Ca 0.11 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.27 3ipr s VAL 93 Cb -0.10 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3ipr s VAL 93 CO 0.01 0.43 -0.11 0.68 0.00 0.00 0.00 175.10 176.11 3ipr s VAL 94 N 1.34 3.32 0.40 2.92 -7.23 -0.36 -4.97 120.40 115.82 3ipr s VAL 94 Ca 0.04 -0.94 0.07 0.00 -1.81 0.00 0.00 61.98 59.34 3ipr s VAL 94 Cb -0.14 -2.43 -0.07 0.00 0.56 0.00 0.00 36.38 34.29 3ipr s VAL 94 CO -0.09 0.36 0.03 -0.94 -0.31 0.00 0.00 175.10 174.16 3ipr s SER 95 N -1.45 3.98 -1.41 4.85 1.04 -1.26 -1.54 113.70 117.91 3ipr s SER 95 Ca 0.16 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.31 3ipr s SER 95 Cb -0.11 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.60 3ipr s SER 95 CO 0.07 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.47 3ipr n GLY 96 N -1.00 0.21 3.74 7.32 0.00 0.03 -4.93 105.19 110.56 3ipr n GLY 96 Ca -0.04 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 3ipr n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ipr n THR 97 N -3.64 1.64 -4.55 2.61 -2.24 -1.12 -5.03 114.28 101.96 3ipr n THR 97 Ca -0.18 -0.41 -0.27 0.00 -2.27 0.00 0.00 64.05 60.92 3ipr n THR 97 Cb 0.61 -1.85 -0.08 0.00 -2.10 0.00 0.00 70.33 66.91 3ipr n THR 97 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ipr s ASN 98 N 0.04 2.99 0.19 3.42 2.20 -1.26 -4.89 114.94 117.63 3ipr s ASN 98 Ca 0.58 -1.70 -0.12 0.00 -0.94 0.00 0.00 52.86 50.68 3ipr s ASN 98 Cb -0.51 0.55 0.18 0.00 -2.00 0.00 0.00 41.25 39.47 3ipr s ASN 98 CO 0.58 -0.95 1.76 0.25 -2.94 0.00 0.00 177.10 175.80 3ipr h LEU 99 N 1.71 0.28 -0.58 3.54 5.85 -1.95 -1.89 115.31 122.26 3ipr h LEU 99 Ca -0.36 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.50 3ipr h LEU 99 Cb 1.28 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.25 3ipr h LEU 99 CO 0.57 0.19 0.22 -0.65 -0.34 0.00 0.00 178.44 178.43 3ipr h PRO 100 N 0.43 0.39 -0.83 5.25 0.11 -1.96 0.30 132.00 135.68 3ipr h PRO 100 Ca 0.25 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 3ipr h PRO 100 Cb 0.23 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.21 3ipr h PRO 100 CO -0.22 0.26 0.39 0.52 -0.21 0.00 0.00 178.00 178.74 3ipr h MET 101 N 0.40 1.21 -0.49 1.05 2.86 -1.72 0.28 114.93 118.51 3ipr h MET 101 Ca 0.29 -0.18 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 3ipr h MET 101 Cb 0.34 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 3ipr h MET 101 CO -0.28 0.93 0.06 0.28 1.06 0.00 0.00 176.91 178.96 3ipr h VAL 102 N 1.19 1.25 -0.06 -2.22 2.07 -0.50 0.81 116.25 118.80 3ipr h VAL 102 Ca 0.29 -0.96 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 3ipr h VAL 102 Cb 0.13 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3ipr h VAL 102 CO -0.03 0.34 -0.29 -0.07 0.02 0.00 0.00 177.57 177.53 3ipr h LEU 103 N 0.70 0.10 -0.52 2.57 3.38 0.08 -1.93 115.31 119.69 3ipr h LEU 103 Ca 0.15 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 3ipr h LEU 103 Cb 0.42 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3ipr h LEU 103 CO 0.01 0.40 -0.27 -0.08 0.09 0.00 0.00 178.44 178.59 3ipr h GLU 104 N 0.09 0.92 -0.33 1.13 4.57 0.03 -2.60 114.58 118.40 3ipr h GLU 104 Ca 0.01 -0.41 -0.02 0.00 -1.18 0.00 0.00 59.36 57.76 3ipr h GLU 104 Cb 0.57 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 3ipr h GLU 104 CO 0.04 1.07 0.13 0.00 -1.18 0.00 0.00 179.01 179.07 3ipr h ALA 105 N 0.91 0.43 -0.90 2.92 0.00 -0.25 -2.18 119.26 120.19 3ipr h ALA 105 Ca 0.09 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ipr h ALA 105 Cb 0.83 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 3ipr h ALA 105 CO 0.07 0.03 0.60 0.82 0.00 0.00 0.00 179.25 180.77 3ipr h ILE 106 N 0.39 1.21 -0.64 0.00 2.04 -1.35 0.28 117.51 119.44 3ipr h ILE 106 Ca 0.11 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 3ipr h ILE 106 Cb 0.19 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.15 3ipr h ILE 106 CO -0.01 0.22 0.34 -1.13 0.00 0.00 0.00 178.15 177.57 3ipr h ASN 107 N 1.20 0.81 0.80 1.72 -0.73 -1.04 -1.54 115.58 116.81 3ipr h ASN 107 Ca 0.34 -0.11 -0.14 0.00 1.87 0.00 0.00 56.30 58.26 3ipr h ASN 107 Cb -0.11 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.26 3ipr h ASN 107 CO -0.08 0.69 -0.67 0.45 -0.37 0.00 0.00 177.43 177.45 3ipr h HIS 108 N 0.88 0.00 -0.91 0.67 3.86 -0.99 -0.33 115.15 118.34 3ipr h HIS 108 Ca 0.22 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.44 3ipr h HIS 108 Cb 0.07 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 3ipr h HIS 108 CO -0.00 0.67 0.60 0.37 0.86 0.00 0.00 177.93 180.42 3ipr h GLN 109 N 0.00 1.20 -0.06 2.45 4.15 -0.48 0.24 115.11 122.60 3ipr h GLN 109 Ca -0.01 -0.08 -0.13 0.00 0.77 0.00 0.00 58.65 59.21 3ipr h GLN 109 Cb 1.25 -0.27 0.01 0.00 0.21 0.00 0.00 27.48 28.68 3ipr h GLN 109 CO 0.09 0.80 -0.45 -0.07 -1.93 0.00 0.00 178.83 177.26 3ipr h LEU 110 N 1.23 0.51 -1.10 -2.39 4.07 -0.88 -3.14 115.31 113.61 3ipr h LEU 110 Ca 0.33 -0.68 0.00 0.00 0.08 0.00 0.00 57.88 57.61 3ipr h LEU 110 Cb -0.13 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.45 3ipr h LEU 110 CO -0.07 1.11 0.00 -0.07 -1.08 0.00 0.00 178.44 178.33 3ipr h LEU 111 N -0.06 0.00 0.83 1.67 3.38 -0.71 -3.46 115.31 116.97 3ipr h LEU 111 Ca -0.04 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 3ipr h LEU 111 Cb 1.12 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 3ipr h LEU 111 CO 0.09 0.00 -0.19 0.61 0.09 0.00 0.00 178.44 179.04 3ipr n GLY 112 N 0.01 0.51 3.76 0.83 0.00 0.79 -4.98 105.19 106.12 3ipr n GLY 112 Ca 0.01 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 3ipr n GLY 112 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ipr s THR 113 N -2.38 2.05 0.29 2.61 2.01 -0.97 -4.92 115.64 114.34 3ipr s THR 113 Ca 0.00 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 3ipr s THR 113 Cb 0.00 -3.03 -0.11 0.00 0.01 0.00 0.00 72.50 69.37 3ipr s THR 113 CO 0.00 0.00 1.58 -2.84 -0.69 0.00 0.00 174.62 172.67 3ipr s PRO 114 N -2.57 4.13 0.35 4.92 0.02 -1.26 -4.77 135.00 135.83 3ipr s PRO 114 Ca 0.64 2.55 0.13 0.00 0.02 0.00 0.00 61.00 64.34 3ipr s PRO 114 Cb -0.43 -3.03 0.98 0.00 0.02 0.00 0.00 34.50 32.04 3ipr s PRO 114 CO 0.54 -0.61 1.74 0.97 -0.33 0.00 0.00 177.00 179.32 3ipr h ILE 115 N 3.39 0.52 -0.25 2.83 6.09 -1.91 0.09 117.51 128.27 3ipr h ILE 115 Ca -0.47 -0.17 -0.12 0.00 -1.37 0.00 0.00 64.86 62.73 3ipr h ILE 115 Cb 1.22 -0.02 -0.01 0.00 0.47 0.00 0.00 36.82 38.48 3ipr h ILE 115 CO 0.79 0.09 -0.36 0.00 -3.07 0.00 0.00 178.15 175.60 3ipr h ALA 116 N 1.68 0.91 -0.07 0.18 0.00 -1.94 -1.94 119.26 118.08 3ipr h ALA 116 Ca 0.63 -0.42 -0.24 0.00 0.00 0.00 0.00 54.91 54.88 3ipr h ALA 116 Cb 1.37 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.06 3ipr h ALA 116 CO -0.40 0.63 -0.91 1.49 0.00 0.00 0.00 179.25 180.06 3ipr h GLU 117 N 0.46 0.72 -0.50 0.00 4.81 -1.51 -3.24 114.58 115.33 3ipr h GLU 117 Ca 0.05 -0.68 -0.03 0.00 -0.13 0.00 0.00 59.36 58.57 3ipr h GLU 117 Cb 0.85 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 3ipr h GLU 117 CO 0.07 1.27 0.19 0.00 -0.73 0.00 0.00 179.01 179.82 3ipr h ALA 118 N 0.51 0.66 -0.21 2.92 0.00 -0.93 -2.67 119.26 119.54 3ipr h ALA 118 Ca -0.09 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.71 3ipr h ALA 118 Cb 1.55 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 3ipr h ALA 118 CO 0.18 0.27 -0.14 0.00 0.00 0.00 0.00 179.25 179.56 3ipr h ALA 119 N 1.04 0.01 -0.52 0.00 0.00 -1.41 0.33 119.26 118.72 3ipr h ALA 119 Ca 0.17 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3ipr h ALA 119 Cb 0.21 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3ipr h ALA 119 CO -0.01 -0.57 0.34 1.96 0.00 0.00 0.00 179.25 180.97 3ipr h GLN 120 N -0.14 0.67 -0.77 0.00 4.20 -1.57 -0.81 115.11 116.70 3ipr h GLN 120 Ca 0.12 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3ipr h GLN 120 Cb 0.32 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 3ipr h GLN 120 CO -0.30 0.44 0.46 0.00 -0.67 0.00 0.00 178.83 178.77 3ipr h ALA 121 N 1.20 0.98 -0.17 3.87 0.00 -1.04 -1.33 119.26 122.76 3ipr h ALA 121 Ca 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ipr h ALA 121 Cb -0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3ipr h ALA 121 CO -0.05 0.45 0.10 0.82 0.00 0.00 0.00 179.25 180.56 3ipr h ILE 122 N 1.05 1.10 -0.89 0.00 2.04 0.17 -1.60 117.51 119.38 3ipr h ILE 122 Ca 0.28 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.89 3ipr h ILE 122 Cb -0.04 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3ipr h ILE 122 CO -0.05 0.09 0.59 0.58 0.00 0.00 0.00 178.15 179.36 3ipr h VAL 123 N 0.18 1.22 -0.26 1.67 2.07 -0.85 0.49 116.25 120.77 3ipr h VAL 123 Ca 0.06 -0.41 -0.17 0.00 0.82 0.00 0.00 66.70 67.00 3ipr h VAL 123 Cb 0.06 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.74 3ipr h VAL 123 CO -0.01 0.22 -0.51 0.00 0.02 0.00 0.00 177.57 177.29 3ipr h ALA 124 N 1.45 0.61 -0.49 1.67 0.00 -1.01 -2.07 119.26 119.41 3ipr h ALA 124 Ca 0.33 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3ipr h ALA 124 Cb -0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3ipr h ALA 124 CO -0.07 0.68 -0.11 0.37 0.00 0.00 0.00 179.25 180.11 3ipr h GLN 125 N 0.58 0.92 -0.29 0.00 5.75 -0.98 -1.31 115.11 119.78 3ipr h GLN 125 Ca 0.02 -0.33 0.03 0.00 -0.15 0.00 0.00 58.65 58.23 3ipr h GLN 125 Cb 1.08 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.54 3ipr h GLN 125 CO 0.11 0.98 0.11 0.78 -2.65 0.00 0.00 178.83 178.15 3ipr h GLY 126 N 0.96 0.36 0.80 2.39 0.00 -0.64 -1.73 103.07 105.21 3ipr h GLY 126 Ca 0.13 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 3ipr h GLY 126 CO 0.04 0.04 -0.14 0.50 0.00 0.00 0.00 176.54 176.99 3ipr h LYS 127 N 0.24 0.43 -0.98 4.80 1.57 -1.27 -3.21 116.57 118.14 3ipr h LYS 127 Ca 0.13 -0.21 0.11 0.00 -1.87 0.00 0.00 60.65 58.81 3ipr h LYS 127 Cb 0.08 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.32 3ipr h LYS 127 CO -0.12 0.76 0.62 1.49 -0.57 0.00 0.00 179.45 181.63 3ipr h GLU 128 N 0.10 0.95 0.00 3.15 4.22 -1.09 -1.80 114.58 120.11 3ipr h GLU 128 Ca 0.04 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.42 3ipr h GLU 128 Cb 0.65 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3ipr h GLU 128 CO 0.04 0.63 0.00 -1.13 -2.18 0.00 0.00 179.01 176.37 3ipr n SER 129 N -4.58 0.00 -4.57 1.04 3.41 -0.66 -4.63 113.62 103.63 3ipr n SER 129 Ca 0.18 0.45 -0.42 0.00 -0.26 0.00 0.00 58.87 58.83 3ipr n SER 129 Cb 0.33 -0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 63.74 3ipr n SER 129 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ipr s VAL 130 N -2.96 4.90 0.07 -3.33 1.01 -0.68 -5.00 120.40 114.41 3ipr s VAL 130 Ca 0.10 0.57 -0.27 0.00 0.00 0.00 0.00 61.98 62.38 3ipr s VAL 130 Cb 0.12 -4.07 0.08 0.00 0.00 0.00 0.00 36.38 32.52 3ipr s VAL 130 CO 0.33 -0.30 0.90 0.00 0.00 0.00 0.00 175.10 176.03 3ipr s GLN 131 N 2.68 1.00 0.23 2.72 -2.07 -1.26 -5.03 119.66 117.93 3ipr s GLN 131 Ca 0.24 -0.46 0.10 0.00 -1.82 0.00 0.00 55.36 53.42 3ipr s GLN 131 Cb -0.15 0.40 -0.04 0.00 -1.09 0.00 0.00 33.01 32.13 3ipr s GLN 131 CO 0.15 -0.45 -0.11 0.00 -1.32 0.00 0.00 175.29 173.56 3ipr s ALA 132 N -3.22 2.91 0.00 2.60 0.00 -1.26 -5.14 121.76 117.65 3ipr s ALA 132 Ca 0.08 -1.64 -0.00 0.00 0.00 0.00 0.00 51.96 50.40 3ipr s ALA 132 Cb -0.01 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 3ipr s ALA 132 CO -0.05 0.36 -0.00 -0.46 0.00 0.00 0.00 175.76 175.61 3ipr s TRP 133 N -2.06 0.07 0.04 0.00 -0.00 -1.26 -5.16 118.94 110.57 3ipr s TRP 133 Ca 0.27 -0.15 -0.19 0.00 -0.00 0.00 0.00 56.10 56.04 3ipr s TRP 133 Cb -0.07 -0.06 0.04 0.00 -0.00 0.00 0.00 33.47 33.38 3ipr s TRP 133 CO 0.16 -0.06 0.43 0.16 -0.00 0.00 0.00 176.95 177.63 3ipr s ASP 134 N -0.45 -0.31 0.60 5.86 -4.77 -1.26 -5.03 116.67 111.31 3ipr s ASP 134 Ca -0.05 0.05 0.29 0.00 -3.30 0.00 0.00 52.55 49.55 3ipr s ASP 134 Cb -0.03 0.43 1.12 0.00 -1.09 0.00 0.00 42.92 43.34 3ipr s ASP 134 CO -0.00 -0.65 1.46 -0.29 0.70 0.00 0.00 175.17 176.38 3ipr h ILE 135 N 3.04 0.08 -0.33 2.11 6.09 -2.01 0.27 117.51 126.76 3ipr h ILE 135 Ca -0.31 0.00 0.10 0.00 -1.37 0.00 0.00 64.86 63.28 3ipr h ILE 135 Cb 1.20 0.14 -0.01 0.00 0.47 0.00 0.00 36.82 38.62 3ipr h ILE 135 CO 0.43 0.00 0.25 0.77 -3.07 0.00 0.00 178.15 176.53 3ipr h SER 136 N 0.00 0.00 0.28 2.19 4.64 -1.96 0.76 113.55 119.46 3ipr h SER 136 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3ipr h SER 136 Cb 2.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.70 3ipr h SER 136 CO -0.00 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.19 3ipr n MET 137 N -4.31 0.47 -0.00 4.77 2.81 0.94 -2.69 117.12 119.11 3ipr n MET 137 Ca 0.05 0.05 0.01 0.00 -1.81 0.00 0.00 57.70 56.00 3ipr n MET 137 Cb 0.42 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.41 3ipr n MET 137 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3ipr n THR 138 N -1.19 0.00 -3.07 2.03 -1.04 0.24 -5.03 114.28 106.22 3ipr n THR 138 Ca 0.13 -0.17 -0.39 0.00 -2.04 0.00 0.00 64.05 61.58 3ipr n THR 138 Cb 0.15 0.61 -0.05 0.00 -1.82 0.00 0.00 70.33 69.21 3ipr n THR 138 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3ipr s SER 139 N -1.97 7.10 0.00 8.00 0.01 0.31 -5.12 113.70 122.02 3ipr s SER 139 Ca -0.00 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.56 3ipr s SER 139 Cb 0.02 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.82 3ipr s SER 139 CO 0.10 0.02 0.25 0.49 0.41 0.00 0.00 173.24 174.51