#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 2.97 -4.81 -0.89 7.94 -1.26 -4.37 117.00 116.57 3ipr n LEU 2 Ca 0.00 1.16 -0.32 0.00 -1.11 0.00 0.00 56.01 55.74 3ipr n LEU 2 Cb 0.00 -1.41 -0.06 0.00 0.53 0.00 0.00 43.42 42.47 3ipr n LEU 2 CO 0.00 -0.64 -0.23 -0.83 -1.11 0.00 0.00 177.39 174.58 3ipr s GLY 3 N 0.03 2.05 -0.06 -3.96 0.00 -0.64 -4.93 107.32 99.81 3ipr s GLY 3 Ca 0.64 -0.88 0.04 0.00 0.00 0.00 0.00 44.72 44.52 3ipr s GLY 3 CO 0.54 -0.79 -0.19 -0.42 0.00 0.00 0.00 173.10 172.24 3ipr s ILE 4 N -1.27 1.63 -0.11 0.90 1.01 -0.74 -0.53 121.20 122.08 3ipr s ILE 4 Ca 0.26 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 60.13 3ipr s ILE 4 Cb -0.12 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 40.95 3ipr s ILE 4 CO 0.17 0.46 -0.17 -0.69 0.00 0.00 0.00 174.94 174.71 3ipr s VAL 5 N 0.19 1.63 -0.29 2.92 1.01 0.12 -1.01 120.40 124.97 3ipr s VAL 5 Ca -0.09 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 3ipr s VAL 5 Cb -0.14 -1.47 0.03 0.00 0.00 0.00 0.00 36.38 34.80 3ipr s VAL 5 CO 0.04 0.47 0.02 -0.63 0.00 0.00 0.00 175.10 175.00 3ipr s ILE 6 N 0.87 3.37 -0.16 2.22 1.01 -0.76 0.18 121.20 127.93 3ipr s ILE 6 Ca -0.08 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 59.54 3ipr s ILE 6 Cb -0.15 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.51 3ipr s ILE 6 CO -0.00 0.02 -0.17 0.00 0.00 0.00 0.00 174.94 174.79 3ipr s ALA 7 N 1.37 2.43 0.27 9.38 0.00 0.24 -0.98 121.76 134.47 3ipr s ALA 7 Ca -0.01 -1.09 -0.10 0.00 0.00 0.00 0.00 51.96 50.76 3ipr s ALA 7 Cb -0.18 -1.19 -0.00 0.00 0.00 0.00 0.00 23.12 21.75 3ipr s ALA 7 CO -0.00 -0.09 0.47 0.95 0.00 0.00 0.00 175.76 177.09 3ipr s THR 8 N 0.91 0.00 0.40 0.00 -4.23 -0.82 -3.16 115.64 108.74 3ipr s THR 8 Ca -0.04 -1.46 -0.24 0.00 -1.18 0.00 0.00 61.69 58.77 3ipr s THR 8 Cb -0.15 -2.34 -0.09 0.00 1.34 0.00 0.00 72.50 71.26 3ipr s THR 8 CO -0.02 0.00 1.08 -1.00 -0.54 0.00 0.00 174.62 174.14 3ipr s HIS 9 N -3.75 3.21 0.00 3.99 3.76 -1.26 -0.61 115.29 120.63 3ipr s HIS 9 Ca 0.25 1.62 0.00 0.00 -0.15 0.00 0.00 55.06 56.78 3ipr s HIS 9 Cb -0.00 -3.21 0.00 0.00 1.11 0.00 0.00 32.58 30.48 3ipr s HIS 9 CO 0.11 -0.83 0.00 0.41 -0.85 0.00 0.00 174.74 173.58 3ipr n GLY 10 N 0.46 0.87 0.34 -2.22 0.00 0.26 -3.22 105.19 101.68 3ipr n GLY 10 Ca 0.05 -0.75 0.02 0.00 0.00 0.00 0.00 46.02 45.34 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 2.52 -0.35 4.61 0.00 -1.26 -4.27 120.51 124.45 3ipr n ALA 11 Ca 0.00 -0.27 0.10 0.00 0.00 0.00 0.00 53.44 53.27 3ipr n ALA 11 Cb 0.00 -0.99 0.29 0.00 0.00 0.00 0.00 19.45 18.74 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 0.84 0.85 -1.20 0.00 5.85 -1.88 0.17 115.31 119.94 3ipr h LEU 12 Ca 0.00 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 3ipr h LEU 12 Cb 0.28 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3ipr h LEU 12 CO 0.01 0.40 -0.39 0.77 -0.34 0.00 0.00 178.44 178.89 3ipr h SER 13 N 0.88 0.00 0.65 1.25 4.64 -1.82 -1.93 113.55 117.23 3ipr h SER 13 Ca 0.52 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.59 3ipr h SER 13 Cb 0.66 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3ipr h SER 13 CO -0.30 0.39 -1.13 0.44 -0.87 0.00 0.00 176.83 175.36 3ipr h ASP 14 N 0.00 0.35 -0.20 4.97 3.32 -1.36 -2.71 116.42 120.79 3ipr h ASP 14 Ca -0.00 -0.35 -0.11 0.00 0.02 0.00 0.00 57.03 56.58 3ipr h ASP 14 Cb 0.72 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3ipr h ASP 14 CO 0.05 1.25 -0.24 1.23 -1.72 0.00 0.00 179.24 179.81 3ipr h GLY 15 N 1.80 0.72 0.83 2.75 0.00 -0.89 -1.25 103.07 107.03 3ipr h GLY 15 Ca -0.10 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 3ipr h GLY 15 CO 0.18 0.56 0.03 0.00 0.00 0.00 0.00 176.54 177.31 3ipr h ALA 16 N 1.15 0.11 -0.57 3.60 0.00 -1.35 0.23 119.26 122.43 3ipr h ALA 16 Ca 0.08 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3ipr h ALA 16 Cb 0.72 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3ipr h ALA 16 CO 0.06 -0.29 0.04 -0.22 0.00 0.00 0.00 179.25 178.84 3ipr h LYS 17 N -0.05 0.95 -0.29 0.00 3.64 -1.39 -1.81 116.57 117.62 3ipr h LYS 17 Ca 0.03 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.12 3ipr h LYS 17 Cb 0.20 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3ipr h LYS 17 CO -0.00 0.91 0.09 0.22 -2.27 0.00 0.00 179.45 178.40 3ipr h ASP 18 N 0.88 0.41 -0.82 4.20 3.58 -1.05 -0.78 116.42 122.85 3ipr h ASP 18 Ca 0.17 -0.20 0.06 0.00 0.42 0.00 0.00 57.03 57.48 3ipr h ASP 18 Cb 0.46 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.35 3ipr h ASP 18 CO 0.02 0.50 0.53 0.00 -2.88 0.00 0.00 179.24 177.42 3ipr h ALA 19 N 0.93 1.59 -0.18 -0.78 0.00 -0.27 -0.58 119.26 119.97 3ipr h ALA 19 Ca 0.09 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3ipr h ALA 19 Cb 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ipr h ALA 19 CO -0.00 0.30 -0.46 0.00 0.00 0.00 0.00 179.25 179.08 3ipr h ALA 20 N 1.55 0.88 -0.15 0.00 0.00 -0.99 -2.03 119.26 118.52 3ipr h ALA 20 Ca 0.35 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3ipr h ALA 20 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ipr h ALA 20 CO -0.12 0.65 -0.38 1.15 0.00 0.00 0.00 179.25 180.56 3ipr h THR 21 N 0.36 1.30 -0.29 0.00 2.02 0.30 0.13 112.91 116.73 3ipr h THR 21 Ca 0.02 -1.46 -0.14 0.00 0.77 0.00 0.00 66.41 65.60 3ipr h THR 21 Cb 0.94 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.95 3ipr h THR 21 CO 0.08 0.44 -0.38 0.58 0.37 0.00 0.00 175.52 176.62 3ipr h VAL 22 N 0.27 1.29 0.09 3.16 2.07 -0.89 0.16 116.25 122.41 3ipr h VAL 22 Ca 0.03 -1.56 -0.25 0.00 0.82 0.00 0.00 66.70 65.74 3ipr h VAL 22 Cb 0.79 1.60 0.02 0.00 -1.52 0.00 0.00 31.29 32.18 3ipr h VAL 22 CO 0.06 0.50 -1.03 0.40 0.02 0.00 0.00 177.57 177.53 3ipr h ILE 23 N 0.53 1.35 0.19 4.57 2.04 -1.22 -3.37 117.51 121.60 3ipr h ILE 23 Ca 0.04 -2.37 -0.34 0.00 1.00 0.00 0.00 64.86 63.18 3ipr h ILE 23 Cb 0.97 2.73 0.01 0.00 -0.74 0.00 0.00 36.82 39.79 3ipr h ILE 23 CO 0.09 0.71 -1.69 -0.03 0.00 0.00 0.00 178.15 177.23 3ipr h MET 24 N 0.11 0.40 0.00 2.37 4.05 -0.83 -3.49 114.93 117.54 3ipr h MET 24 Ca -0.15 -0.69 0.00 0.00 -0.28 0.00 0.00 59.70 58.58 3ipr h MET 24 Cb 1.73 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 32.79 3ipr h MET 24 CO 0.20 1.31 0.00 0.41 0.23 0.00 0.00 176.91 179.06 3ipr n GLY 25 N 1.82 2.64 3.73 1.39 0.00 0.56 -5.02 105.19 110.31 3ipr n GLY 25 Ca -0.22 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.44 -1.86 -0.05 4.61 0.00 -1.24 -4.93 121.76 115.86 3ipr s ALA 26 Ca 0.00 0.25 -0.21 0.00 0.00 0.00 0.00 51.96 52.01 3ipr s ALA 26 Cb 0.00 0.57 0.04 0.00 0.00 0.00 0.00 23.12 23.73 3ipr s ALA 26 CO 0.00 -1.05 0.46 0.95 0.00 0.00 0.00 175.76 176.12 3ipr s THR 27 N -2.85 0.03 0.04 0.00 -4.23 -1.26 -4.65 115.64 102.72 3ipr s THR 27 Ca 0.14 -0.24 0.02 0.00 -1.18 0.00 0.00 61.69 60.44 3ipr s THR 27 Cb 0.01 -0.76 -0.02 0.00 1.34 0.00 0.00 72.50 73.07 3ipr s THR 27 CO 0.01 -0.13 -0.08 -0.70 -0.54 0.00 0.00 174.62 173.18 3ipr s GLU 28 N -1.02 0.53 -1.32 3.99 2.12 -1.26 -4.90 118.70 116.84 3ipr s GLU 28 Ca -0.11 -0.74 -0.05 0.00 0.36 0.00 0.00 54.97 54.44 3ipr s GLU 28 Cb -0.03 -0.30 0.02 0.00 0.26 0.00 0.00 34.13 34.08 3ipr s GLU 28 CO 0.06 0.05 1.00 -1.71 -0.54 0.00 0.00 175.26 174.12 3ipr n ASN 29 N 1.51 -3.61 -4.02 -1.70 5.15 -1.26 -4.88 115.26 106.45 3ipr n ASN 29 Ca -0.22 -0.66 -0.27 0.00 -0.60 0.00 0.00 54.58 52.83 3ipr n ASN 29 Cb 0.55 -4.72 -0.17 0.00 -0.53 0.00 0.00 39.78 34.91 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 -3.40 1.30 0.23 -1.44 1.01 -1.26 -1.80 121.20 115.84 3ipr s ILE 30 Ca 0.28 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.48 3ipr s ILE 30 Cb -0.13 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 3ipr s ILE 30 CO 0.76 0.40 0.12 -1.61 0.00 0.00 0.00 174.94 174.61 3ipr s GLU 31 N 1.03 2.71 0.03 2.79 0.41 -0.18 -5.01 118.70 120.48 3ipr s GLU 31 Ca -0.07 -1.12 0.05 0.00 -0.41 0.00 0.00 54.97 53.43 3ipr s GLU 31 Cb -0.15 -2.46 -0.02 0.00 -1.78 0.00 0.00 34.13 29.73 3ipr s GLU 31 CO -0.01 0.41 -0.15 0.95 -0.49 0.00 0.00 175.26 175.97 3ipr s THR 32 N -2.07 1.19 -0.02 3.63 -4.23 -1.26 -1.83 115.64 111.04 3ipr s THR 32 Ca 0.32 -0.91 0.02 0.00 -1.18 0.00 0.00 61.69 59.93 3ipr s THR 32 Cb -0.08 -1.05 0.01 0.00 1.34 0.00 0.00 72.50 72.72 3ipr s THR 32 CO 0.23 0.12 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.68 3ipr s VAL 33 N -0.69 0.52 0.09 2.29 1.01 -0.15 -4.95 120.40 118.52 3ipr s VAL 33 Ca 0.03 -0.20 0.10 0.00 0.00 0.00 0.00 61.98 61.92 3ipr s VAL 33 Cb -0.07 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 3ipr s VAL 33 CO 0.01 0.19 -0.26 0.20 0.00 0.00 0.00 175.10 175.24 3ipr s ASN 34 N 0.41 3.12 -0.30 3.32 -0.87 -1.26 -1.94 114.94 117.41 3ipr s ASN 34 Ca -0.05 -0.67 0.01 0.00 -1.57 0.00 0.00 52.86 50.58 3ipr s ASN 34 Cb -0.09 -0.23 0.06 0.00 -0.02 0.00 0.00 41.25 40.97 3ipr s ASN 34 CO -0.00 0.19 -0.03 -0.22 -2.57 0.00 0.00 177.10 174.48 3ipr s LEU 35 N -1.68 3.90 0.34 0.60 2.96 0.22 -4.89 118.68 120.13 3ipr s LEU 35 Ca 0.12 -1.49 0.07 0.00 -0.22 0.00 0.00 54.13 52.61 3ipr s LEU 35 Cb -0.10 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 3ipr s LEU 35 CO 0.04 -0.26 0.45 0.20 -1.32 0.00 0.00 176.35 175.46 3ipr s ASN 36 N 1.18 5.89 0.19 3.68 0.01 -1.26 -0.57 114.94 124.06 3ipr s ASN 36 Ca -0.04 -0.23 -0.32 0.00 -0.71 0.00 0.00 52.86 51.56 3ipr s ASN 36 Cb -0.20 -1.19 -0.12 0.00 0.41 0.00 0.00 41.25 40.14 3ipr s ASN 36 CO -0.04 -0.43 1.70 -1.20 -1.51 0.00 0.00 177.10 175.63 3ipr n SER 37 N -1.61 3.79 0.00 -1.22 7.64 -1.26 -1.21 113.62 119.75 3ipr n SER 37 Ca -0.00 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.94 3ipr n SER 37 Cb 0.58 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 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 3.87 3.14 3.77 0.23 0.00 -1.26 -5.02 105.19 109.92 3ipr n GLY 38 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3ipr n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ipr s ASP 39 N -0.16 6.38 -0.23 1.61 1.01 -0.35 -4.94 116.67 119.98 3ipr s ASP 39 Ca 0.00 2.98 -0.25 0.00 0.71 0.00 0.00 52.55 55.99 3ipr s ASP 39 Cb 0.00 -2.65 -0.00 0.00 1.01 0.00 0.00 42.92 41.27 3ipr s ASP 39 CO 0.00 -0.87 0.86 -0.62 0.21 0.00 0.00 175.17 174.74 3ipr s ASP 40 N 0.13 6.88 0.16 0.27 -1.08 -1.26 -4.91 116.67 116.87 3ipr s ASP 40 Ca 0.57 1.10 0.12 0.00 -0.52 0.00 0.00 52.55 53.82 3ipr s ASP 40 Cb -0.47 -2.45 0.63 0.00 -1.46 0.00 0.00 42.92 39.17 3ipr s ASP 40 CO 0.56 -0.52 1.37 1.33 0.52 0.00 0.00 175.17 178.42 3ipr n VAL 41 N 5.20 1.45 0.28 1.11 0.24 -1.26 -0.95 118.33 124.40 3ipr n VAL 41 Ca 0.06 0.59 0.15 0.00 -2.04 0.00 0.00 64.34 63.10 3ipr n VAL 41 Cb 0.47 -1.58 0.80 0.00 -1.47 0.00 0.00 33.84 32.07 3ipr n VAL 41 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 3ipr h GLN 42 N 0.00 0.00 -0.01 7.34 -0.00 -2.02 -1.90 115.11 118.52 3ipr h GLN 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3ipr h GLN 42 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.51 3ipr h GLN 42 CO 0.00 0.08 -0.35 0.00 0.00 0.00 0.00 178.83 178.56 3ipr n ALA 43 N -2.24 3.29 -0.12 3.38 0.00 -0.12 -4.30 120.51 120.40 3ipr n ALA 43 Ca -0.02 -0.50 -0.13 0.00 0.00 0.00 0.00 53.44 52.79 3ipr n ALA 43 Cb 0.21 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 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 1.71 0.95 -0.39 0.00 5.85 -1.45 -3.08 115.31 118.89 3ipr h LEU 44 Ca 0.00 -0.45 0.08 0.00 0.84 0.00 0.00 57.88 58.35 3ipr h LEU 44 Cb 0.61 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 3ipr h LEU 44 CO 0.00 1.20 -0.07 1.23 -0.34 0.00 0.00 178.44 180.46 3ipr h GLY 45 N 0.71 0.31 0.88 3.75 0.00 -1.75 -0.37 103.07 106.60 3ipr h GLY 45 Ca 0.07 0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.53 3ipr h GLY 45 CO 0.08 -0.13 0.50 -1.33 0.00 0.00 0.00 176.54 175.66 3ipr h GLY 46 N 0.03 1.15 0.93 4.60 0.00 -1.81 0.90 103.07 108.87 3ipr h GLY 46 Ca 0.19 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 3ipr h GLY 46 CO -0.38 0.33 -0.05 1.46 0.00 0.00 0.00 176.54 177.90 3ipr h GLN 47 N 0.98 0.67 -0.58 4.80 4.20 -1.29 -0.28 115.11 123.63 3ipr h GLN 47 Ca 0.32 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 3ipr h GLN 47 Cb 0.01 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 3ipr h GLN 47 CO -0.11 0.81 0.27 0.82 -0.67 0.00 0.00 178.83 179.95 3ipr h ILE 48 N 0.47 1.19 -0.08 2.54 2.04 -0.65 -1.94 117.51 121.08 3ipr h ILE 48 Ca 0.10 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3ipr h ILE 48 Cb 0.54 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3ipr h ILE 48 CO 0.03 0.23 -0.04 0.50 0.00 0.00 0.00 178.15 178.87 3ipr h LYS 49 N 0.81 0.17 -0.85 2.37 3.64 -0.54 -2.18 116.57 120.00 3ipr h LYS 49 Ca 0.20 -0.08 0.07 0.00 -1.27 0.00 0.00 60.65 59.58 3ipr h LYS 49 Cb 0.10 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 3ipr h LYS 49 CO -0.03 0.54 0.55 1.15 -2.27 0.00 0.00 179.45 179.40 3ipr h THR 50 N -0.20 1.02 -0.27 1.00 2.02 -0.84 -1.65 112.91 114.00 3ipr h THR 50 Ca 0.02 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.83 3ipr h THR 50 Cb 0.49 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3ipr h THR 50 CO 0.01 0.17 -0.06 0.00 0.37 0.00 0.00 175.52 176.01 3ipr h ALA 51 N 1.55 0.38 -0.62 6.16 0.00 -1.32 -1.83 119.26 123.57 3ipr h ALA 51 Ca 0.37 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3ipr h ALA 51 Cb 0.28 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3ipr h ALA 51 CO -0.14 0.18 0.36 0.82 0.00 0.00 0.00 179.25 180.47 3ipr h ILE 52 N 0.28 1.03 -0.50 0.00 2.04 -0.78 -1.66 117.51 117.92 3ipr h ILE 52 Ca 0.07 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 3ipr h ILE 52 Cb 0.53 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3ipr h ILE 52 CO 0.03 0.13 0.17 -0.33 0.00 0.00 0.00 178.15 178.15 3ipr h GLU 53 N 0.70 0.73 0.00 2.37 5.08 -1.21 -0.19 114.58 122.05 3ipr h GLU 53 Ca 0.26 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3ipr h GLU 53 Cb 0.08 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3ipr h GLU 53 CO -0.13 0.62 0.00 -0.91 -1.00 0.00 0.00 179.01 177.59 3ipr h ASN 54 N 0.72 0.00 0.00 1.42 2.35 -0.43 -3.20 115.58 116.44 3ipr h ASN 54 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3ipr h ASN 54 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3ipr h ASN 54 CO -0.01 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.10 3ipr n VAL 55 N -2.88 0.00 -2.32 2.81 0.24 -0.90 -5.00 118.33 110.28 3ipr n VAL 55 Ca 0.00 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.34 61.40 3ipr n VAL 55 Cb 0.23 1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 33.62 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 -0.17 4.31 0.00 7.34 2.00 -0.13 -3.97 119.66 129.04 3ipr s GLN 56 Ca 0.00 1.84 0.00 0.00 -2.00 0.00 0.00 55.36 55.20 3ipr s GLN 56 Cb 0.00 -3.57 0.00 0.00 0.80 0.00 0.00 33.01 30.24 3ipr s GLN 56 CO 0.00 -0.52 0.53 1.04 -0.50 0.00 0.00 175.29 175.84 3ipr n GLN 57 N 5.30 0.61 0.00 1.67 6.02 -1.26 -4.98 117.38 124.73 3ipr n GLN 57 Ca 0.12 -0.67 0.00 0.00 -0.01 0.00 0.00 57.00 56.44 3ipr n GLN 57 Cb 0.45 -0.76 0.00 0.00 1.02 0.00 0.00 30.24 30.95 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 -0.14 1.44 1.17 1.08 0.00 -1.26 -4.65 105.19 102.83 3ipr n GLY 58 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 3.45 0.00 1.61 8.00 -1.26 -5.06 116.55 123.29 3ipr n ASP 59 Ca 0.00 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.52 3ipr n ASP 59 Cb 0.00 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 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 1.53 0.39 3.04 0.44 0.00 -1.26 -4.55 105.19 104.79 3ipr n GLY 60 Ca 0.21 -1.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.69 0.90 -0.25 1.61 1.01 0.24 -1.62 120.40 119.59 3ipr s VAL 61 Ca 0.00 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 3ipr s VAL 61 Cb 0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 3ipr s VAL 61 CO 0.00 0.27 0.08 -0.22 0.00 0.00 0.00 175.10 175.22 3ipr s LEU 62 N -0.02 3.49 -0.46 3.92 2.96 0.31 -2.29 118.68 126.59 3ipr s LEU 62 Ca 0.00 -0.22 -0.14 0.00 -0.22 0.00 0.00 54.13 53.55 3ipr s LEU 62 Cb -0.07 -1.93 0.07 0.00 0.50 0.00 0.00 46.19 44.76 3ipr s LEU 62 CO 0.00 -0.04 0.36 -0.69 -1.32 0.00 0.00 176.35 174.66 3ipr s VAL 63 N 1.62 5.05 -0.32 1.68 1.01 0.57 -0.70 120.40 129.31 3ipr s VAL 63 Ca 0.06 -1.10 -0.19 0.00 0.00 0.00 0.00 61.98 60.76 3ipr s VAL 63 Cb -0.15 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 3ipr s VAL 63 CO 0.04 -0.55 0.55 -0.04 0.00 0.00 0.00 175.10 175.10 3ipr s MET 64 N 1.60 3.78 0.22 2.72 -1.94 0.47 -1.79 119.30 124.37 3ipr s MET 64 Ca 0.04 0.05 0.08 0.00 -1.71 0.00 0.00 55.69 54.15 3ipr s MET 64 Cb -0.24 -3.76 -0.04 0.00 2.01 0.00 0.00 34.83 32.80 3ipr s MET 64 CO 0.06 -0.57 0.02 0.08 -0.01 0.00 0.00 175.02 174.60 3ipr s VAL 65 N 2.45 3.68 -0.14 -6.03 1.01 -0.11 -0.59 120.40 120.66 3ipr s VAL 65 Ca 0.21 -1.64 -0.21 0.00 0.00 0.00 0.00 61.98 60.34 3ipr s VAL 65 Cb -0.15 -2.92 -0.24 0.00 0.00 0.00 0.00 36.38 33.07 3ipr s VAL 65 CO 0.12 -0.25 0.51 -2.24 0.00 0.00 0.00 175.10 173.24 3ipr h ASP 66 N 2.21 0.17 -3.89 3.32 2.03 -1.84 -2.68 116.42 115.75 3ipr h ASP 66 Ca -0.46 -0.78 -0.68 0.00 -0.73 0.00 0.00 57.03 54.37 3ipr h ASP 66 Cb 1.23 -0.05 -0.21 0.00 -0.83 0.00 0.00 39.33 39.46 3ipr h ASP 66 CO 0.59 1.42 -0.77 -0.22 -1.03 0.00 0.00 179.24 179.24 3ipr s LEU 67 N -7.83 2.81 -0.10 0.15 1.98 -1.26 -2.53 118.68 111.90 3ipr s LEU 67 Ca -0.22 -0.28 -0.30 0.00 -2.89 0.00 0.00 54.13 50.44 3ipr s LEU 67 Cb 0.03 -1.62 -0.01 0.00 0.66 0.00 0.00 46.19 45.25 3ipr s LEU 67 CO 0.69 0.29 1.02 -0.22 -1.89 0.00 0.00 176.35 176.25 3ipr s LEU 68 N -1.23 4.25 -0.65 -0.68 2.96 -1.26 -3.51 118.68 118.57 3ipr s LEU 68 Ca 0.14 1.56 0.00 0.00 -0.22 0.00 0.00 54.13 55.62 3ipr s LEU 68 Cb -0.11 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.03 3ipr s LEU 68 CO 0.05 -0.45 0.00 -1.20 -1.32 0.00 0.00 176.35 173.42 3ipr n SER 69 N 4.98 -3.99 -5.01 3.68 7.64 -1.26 -5.03 113.62 114.63 3ipr n SER 69 Ca 0.09 0.15 -0.19 0.00 1.01 0.00 0.00 58.87 59.93 3ipr n SER 69 Cb 0.49 -2.02 0.05 0.00 -1.01 0.00 0.00 64.21 61.71 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 -2.14 4.61 0.19 -0.43 0.00 -1.23 -4.83 121.76 117.94 3ipr s ALA 70 Ca 0.00 -2.02 -0.14 0.00 0.00 0.00 0.00 51.96 49.79 3ipr s ALA 70 Cb 0.00 -1.53 0.19 0.00 0.00 0.00 0.00 23.12 21.78 3ipr s ALA 70 CO 0.00 -0.79 1.65 0.77 0.00 0.00 0.00 175.76 177.39 3ipr h SER 71 N 0.22 -0.45 -0.84 0.00 0.02 -1.96 0.18 113.55 110.73 3ipr h SER 71 Ca -0.32 0.16 0.04 0.00 -0.84 0.00 0.00 61.79 60.83 3ipr h SER 71 Cb 1.29 0.31 -0.05 0.00 0.14 0.00 0.00 62.40 64.08 3ipr h SER 71 CO 0.42 -0.16 0.53 -0.65 -1.14 0.00 0.00 176.83 175.82 3ipr h PRO 72 N 0.02 0.97 -0.06 3.45 0.11 -1.91 0.22 132.00 134.81 3ipr h PRO 72 Ca 0.26 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 3ipr h PRO 72 Cb 0.41 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 3ipr h PRO 72 CO -0.54 0.64 -0.00 -0.92 -0.21 0.00 0.00 178.00 176.97 3ipr h TYR 73 N 1.00 0.11 0.08 0.65 3.20 -1.57 -0.86 116.97 119.58 3ipr h TYR 73 Ca 0.35 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.19 3ipr h TYR 73 Cb 0.08 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.32 3ipr h TYR 73 CO -0.03 0.39 -0.04 -0.91 -1.64 0.00 0.00 178.16 175.94 3ipr h ASN 74 N -0.20 -0.09 -0.11 -2.11 2.35 -0.60 -1.60 115.58 113.23 3ipr h ASN 74 Ca 0.02 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 3ipr h ASN 74 Cb 0.35 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 3ipr h ASN 74 CO 0.00 -0.05 -0.11 1.56 -1.65 0.00 0.00 177.43 177.18 3ipr h GLN 75 N -0.12 0.44 -0.52 0.81 1.08 -0.62 -0.33 115.11 115.85 3ipr h GLN 75 Ca -0.01 -0.12 -0.10 0.00 -1.45 0.00 0.00 58.65 56.97 3ipr h GLN 75 Cb 0.09 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 3ipr h GLN 75 CO 0.02 0.55 -0.08 0.00 -0.95 0.00 0.00 178.83 178.37 3ipr h ALA 76 N 1.48 0.71 -0.32 3.87 0.00 -0.93 -1.63 119.26 122.44 3ipr h ALA 76 Ca 0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3ipr h ALA 76 Cb 0.44 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ipr h ALA 76 CO 0.02 0.60 0.10 0.28 0.00 0.00 0.00 179.25 180.26 3ipr h VAL 77 N 0.85 1.20 0.00 0.00 2.07 -0.75 -2.54 116.25 117.08 3ipr h VAL 77 Ca 0.14 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 3ipr h VAL 77 Cb 0.64 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3ipr h VAL 77 CO 0.04 0.22 -0.25 -0.07 0.02 0.00 0.00 177.57 177.54 3ipr h LEU 78 N 0.36 0.00 -0.03 2.57 3.38 -0.98 -2.66 115.31 117.96 3ipr h LEU 78 Ca 0.10 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 3ipr h LEU 78 Cb 0.24 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.00 3ipr h LEU 78 CO -0.00 0.25 -0.54 0.58 0.09 0.00 0.00 178.44 178.82 3ipr h VAL 79 N 0.00 1.42 -0.58 1.22 2.07 -1.12 -3.23 116.25 116.04 3ipr h VAL 79 Ca -0.00 -1.99 0.04 0.00 0.82 0.00 0.00 66.70 65.57 3ipr h VAL 79 Cb 0.61 2.50 -0.05 0.00 -1.52 0.00 0.00 31.29 32.84 3ipr h VAL 79 CO 0.03 0.58 0.32 0.40 0.02 0.00 0.00 177.57 178.92 3ipr h ILE 80 N -0.09 0.99 0.00 4.57 2.04 -1.38 -0.82 117.51 122.83 3ipr h ILE 80 Ca -0.06 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3ipr h ILE 80 Cb 1.23 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3ipr h ILE 80 CO 0.11 0.11 0.41 -1.13 0.00 0.00 0.00 178.15 177.65 3ipr h ASN 81 N 0.62 0.00 -0.02 1.72 -1.24 -1.49 0.66 115.58 115.84 3ipr h ASN 81 Ca 0.25 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.26 3ipr h ASN 81 Cb 0.11 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.16 3ipr h ASN 81 CO -0.15 0.00 -0.35 1.21 -1.29 0.00 0.00 177.43 176.85 3ipr n GLU 82 N -2.58 1.50 -1.81 6.67 2.13 -0.32 -5.00 120.64 121.23 3ipr n GLU 82 Ca -0.01 -1.01 -0.29 0.00 0.66 0.00 0.00 57.16 56.50 3ipr n GLU 82 Cb 0.44 -1.38 0.11 0.00 0.27 0.00 0.00 31.44 30.88 3ipr n GLU 82 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3ipr s LEU 83 N -2.19 2.39 0.26 4.31 1.43 0.23 -5.00 118.68 120.11 3ipr s LEU 83 Ca 0.17 0.78 -0.30 0.00 -1.03 0.00 0.00 54.13 53.75 3ipr s LEU 83 Cb 0.16 -3.19 -0.10 0.00 0.03 0.00 0.00 46.19 43.08 3ipr s LEU 83 CO 0.46 -2.14 1.48 -1.61 0.23 0.00 0.00 176.35 174.77 3ipr s GLU 84 N -5.53 4.23 0.35 1.70 0.41 -1.26 -4.75 118.70 113.85 3ipr s GLU 84 Ca 0.63 2.37 0.16 0.00 -0.41 0.00 0.00 54.97 57.73 3ipr s GLU 84 Cb -0.11 -3.09 1.16 0.00 -1.78 0.00 0.00 34.13 30.31 3ipr s GLU 84 CO 0.50 -0.47 1.64 -1.35 -0.49 0.00 0.00 175.26 175.09 3ipr h PRO 85 N 4.98 0.24 -0.24 0.39 0.11 -1.95 0.59 132.00 136.13 3ipr h PRO 85 Ca -0.46 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 3ipr h PRO 85 Cb 1.22 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3ipr h PRO 85 CO 0.78 0.16 -0.19 0.00 -0.21 0.00 0.00 178.00 178.54 3ipr h ALA 86 N 1.88 0.34 -0.50 -0.75 0.00 -2.01 -2.54 119.26 115.68 3ipr h ALA 86 Ca 0.76 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 3ipr h ALA 86 Cb 1.83 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 3ipr h ALA 86 CO -0.64 0.26 0.12 1.25 0.00 0.00 0.00 179.25 180.25 3ipr h LEU 87 N 0.25 0.75 -0.55 0.00 7.12 -1.13 -3.23 115.31 118.51 3ipr h LEU 87 Ca 0.04 -0.23 0.08 0.00 0.13 0.00 0.00 57.88 57.90 3ipr h LEU 87 Cb 0.73 -0.20 -0.07 0.00 -0.53 0.00 0.00 40.66 40.59 3ipr h LEU 87 CO 0.05 0.79 0.19 1.56 -0.13 0.00 0.00 178.44 180.90 3ipr h GLN 88 N 0.68 0.36 -0.21 1.25 4.20 0.14 -2.36 115.11 119.17 3ipr h GLN 88 Ca 0.16 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.86 3ipr h GLN 88 Cb 0.33 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3ipr h GLN 88 CO 0.00 0.24 0.14 0.87 -0.67 0.00 0.00 178.83 179.41 3ipr h LYS 89 N 0.37 0.21 -1.04 1.46 1.57 -1.47 -2.84 116.57 114.82 3ipr h LYS 89 Ca 0.27 -0.01 -0.53 0.00 -1.87 0.00 0.00 60.65 58.51 3ipr h LYS 89 Cb 0.32 -0.05 -0.27 0.00 0.08 0.00 0.00 32.23 32.31 3ipr h LYS 89 CO -0.29 0.14 0.68 1.63 -0.57 0.00 0.00 179.45 181.04 3ipr n LYS 90 N -4.50 2.30 -3.83 3.15 5.02 -0.89 -4.86 118.16 114.55 3ipr n LYS 90 Ca 0.01 -2.82 -0.28 0.00 -2.02 0.00 0.00 58.31 53.20 3ipr n LYS 90 Cb 0.12 -2.11 -0.16 0.00 -0.02 0.00 0.00 35.03 32.87 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 -3.56 0.89 0.11 -0.18 1.01 -1.08 -0.59 121.20 117.80 3ipr s ILE 91 Ca 0.54 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.63 3ipr s ILE 91 Cb 0.44 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 3ipr s ILE 91 CO 0.05 -0.03 -0.05 -0.36 0.00 0.00 0.00 174.94 174.56 3ipr s PHE 92 N 1.71 2.85 -0.22 3.97 0.40 -0.97 -4.99 117.98 120.73 3ipr s PHE 92 Ca -0.01 -0.10 0.02 0.00 -0.60 0.00 0.00 56.93 56.24 3ipr s PHE 92 Cb -0.16 -1.47 0.04 0.00 0.51 0.00 0.00 43.02 41.94 3ipr s PHE 92 CO -0.07 0.46 -0.15 0.08 0.70 0.00 0.00 175.22 176.23 3ipr s VAL 93 N -1.31 2.18 -0.10 -0.44 1.01 -1.26 -0.32 120.40 120.17 3ipr s VAL 93 Ca 0.24 -1.21 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 3ipr s VAL 93 Cb -0.11 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3ipr s VAL 93 CO 0.16 0.29 -0.04 0.68 0.00 0.00 0.00 175.10 176.19 3ipr s VAL 94 N 1.22 3.89 0.38 2.92 -7.23 -0.74 -4.98 120.40 115.86 3ipr s VAL 94 Ca -0.01 -0.39 0.08 0.00 -1.81 0.00 0.00 61.98 59.85 3ipr s VAL 94 Cb -0.16 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 3ipr s VAL 94 CO -0.09 0.57 0.20 -0.94 -0.31 0.00 0.00 175.10 174.53 3ipr s SER 95 N -0.48 4.67 -1.25 4.85 1.04 -1.26 -0.94 113.70 120.34 3ipr s SER 95 Ca 0.07 -0.87 -0.02 0.00 0.48 0.00 0.00 55.95 55.61 3ipr s SER 95 Cb -0.12 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.39 3ipr s SER 95 CO 0.02 -0.46 0.30 0.61 0.98 0.00 0.00 173.24 174.69 3ipr n GLY 96 N -1.26 -0.25 3.73 7.32 0.00 -1.05 -4.93 105.19 108.76 3ipr n GLY 96 Ca -0.01 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.94 2.03 0.44 2.61 -4.23 -1.03 -5.02 115.64 107.50 3ipr s THR 97 Ca 0.15 0.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.71 3ipr s THR 97 Cb -0.07 -3.01 -0.01 0.00 1.34 0.00 0.00 72.50 70.75 3ipr s THR 97 CO 0.18 0.00 0.12 -0.46 -0.54 0.00 0.00 174.62 173.93 3ipr n ASN 98 N 3.12 1.69 -0.18 3.99 0.23 -1.26 -4.91 115.26 117.93 3ipr n ASN 98 Ca 0.12 -3.26 -0.08 0.00 -0.53 0.00 0.00 54.58 50.83 3ipr n ASN 98 Cb 0.36 0.93 0.01 0.00 -2.08 0.00 0.00 39.78 39.01 3ipr n ASN 98 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3ipr h LEU 99 N 0.00 0.72 -0.92 -4.53 5.85 -1.96 -1.57 115.31 112.91 3ipr h LEU 99 Ca -0.35 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.27 3ipr h LEU 99 Cb 1.27 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 42.05 3ipr h LEU 99 CO 0.56 0.69 0.57 -0.65 -0.34 0.00 0.00 178.44 179.28 3ipr h PRO 100 N 0.70 0.98 -0.39 5.25 0.11 -1.97 0.15 132.00 136.84 3ipr h PRO 100 Ca 0.17 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.15 3ipr h PRO 100 Cb 0.20 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 3ipr h PRO 100 CO -0.01 0.65 -0.08 0.52 -0.21 0.00 0.00 178.00 178.87 3ipr h MET 101 N 1.01 0.67 -0.31 1.05 2.86 -1.76 0.56 114.93 119.00 3ipr h MET 101 Ca 0.41 -0.19 -0.15 0.00 -2.06 0.00 0.00 59.70 57.70 3ipr h MET 101 Cb 0.24 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 3ipr h MET 101 CO -0.20 0.74 -0.40 0.28 1.06 0.00 0.00 176.91 178.39 3ipr h VAL 102 N 0.61 1.29 -0.40 -2.22 2.07 -0.23 -1.89 116.25 115.48 3ipr h VAL 102 Ca 0.11 -1.58 -0.07 0.00 0.82 0.00 0.00 66.70 65.98 3ipr h VAL 102 Cb 0.50 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 3ipr h VAL 102 CO 0.03 0.52 -0.05 -0.07 0.02 0.00 0.00 177.57 178.02 3ipr h LEU 103 N 0.60 0.63 -0.27 2.57 3.38 -0.49 -1.38 115.31 120.35 3ipr h LEU 103 Ca 0.04 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3ipr h LEU 103 Cb 1.00 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3ipr h LEU 103 CO 0.10 0.73 0.02 -0.08 0.09 0.00 0.00 178.44 179.29 3ipr h GLU 104 N 0.61 0.47 -0.66 1.13 4.57 -0.75 -2.03 114.58 117.93 3ipr h GLU 104 Ca 0.12 -0.14 0.05 0.00 -1.18 0.00 0.00 59.36 58.20 3ipr h GLU 104 Cb 0.45 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.95 3ipr h GLU 104 CO 0.02 0.62 0.38 0.00 -1.18 0.00 0.00 179.01 178.85 3ipr h ALA 105 N 0.84 0.87 -0.79 2.92 0.00 -0.94 -1.05 119.26 121.11 3ipr h ALA 105 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3ipr h ALA 105 Cb 0.39 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3ipr h ALA 105 CO 0.01 0.09 0.38 0.82 0.00 0.00 0.00 179.25 180.54 3ipr h ILE 106 N 0.72 1.25 -1.00 0.00 2.04 -1.12 0.10 117.51 119.50 3ipr h ILE 106 Ca 0.28 -0.70 0.03 0.00 1.00 0.00 0.00 64.86 65.47 3ipr h ILE 106 Cb 0.13 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 3ipr h ILE 106 CO -0.15 0.30 0.66 -1.13 0.00 0.00 0.00 178.15 177.82 3ipr h ASN 107 N 1.11 1.11 1.73 1.72 -0.00 -0.58 -0.80 115.58 119.87 3ipr h ASN 107 Ca 0.27 -0.02 0.00 0.00 -0.00 0.00 0.00 56.30 56.55 3ipr h ASN 107 Cb 0.12 -0.26 0.00 0.00 -0.00 0.00 0.00 38.32 38.18 3ipr h ASN 107 CO -0.03 0.78 0.00 0.45 -0.00 0.00 0.00 177.43 178.62 3ipr h HIS 108 N 1.30 0.00 -0.16 0.67 3.86 -0.65 -1.15 115.15 119.02 3ipr h HIS 108 Ca 0.38 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.54 3ipr h HIS 108 Cb -0.06 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 3ipr h HIS 108 CO -0.00 0.00 -0.10 0.37 0.86 0.00 0.00 177.93 179.06 3ipr h GLN 109 N 0.00 0.35 -0.16 2.45 4.15 0.17 -2.11 115.11 119.97 3ipr h GLN 109 Ca 0.00 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.24 3ipr h GLN 109 Cb 0.87 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.54 3ipr h GLN 109 CO 0.00 0.68 0.02 -0.07 -1.93 0.00 0.00 178.83 177.53 3ipr h LEU 110 N 0.02 0.26 -1.69 -2.39 4.07 -0.93 -3.12 115.31 111.53 3ipr h LEU 110 Ca 0.03 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.72 3ipr h LEU 110 Cb 0.59 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.26 3ipr h LEU 110 CO 0.03 0.46 0.00 -0.07 -1.08 0.00 0.00 178.44 177.78 3ipr h LEU 111 N 0.05 0.00 0.04 1.67 3.38 -1.24 -3.46 115.31 115.75 3ipr h LEU 111 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3ipr h LEU 111 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3ipr h LEU 111 CO 0.00 0.00 -0.01 0.61 0.09 0.00 0.00 178.44 179.13 3ipr n GLY 112 N -0.13 0.43 3.74 0.83 0.00 -0.82 -5.00 105.19 104.24 3ipr n GLY 112 Ca 0.00 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.02 1.10 -1.68 2.61 -1.04 -1.04 -4.92 114.28 106.30 3ipr n THR 113 Ca -0.01 -0.28 -0.45 0.00 -2.04 0.00 0.00 64.05 61.28 3ipr n THR 113 Cb 0.04 -1.91 -0.03 0.00 -1.82 0.00 0.00 70.33 66.61 3ipr n THR 113 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3ipr n PRO 114 N 1.99 2.20 -0.33 -2.82 -0.02 -1.26 -4.71 135.00 130.05 3ipr n PRO 114 Ca 0.08 0.79 0.08 0.00 -2.02 0.00 0.00 63.50 62.43 3ipr n PRO 114 Cb 0.36 -2.53 0.24 0.00 -0.02 0.00 0.00 33.50 31.56 3ipr n PRO 114 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3ipr h ILE 115 N 3.40 0.82 -0.54 4.25 2.10 -1.91 0.10 117.51 125.73 3ipr h ILE 115 Ca -0.45 -0.28 0.06 0.00 1.08 0.00 0.00 64.86 65.27 3ipr h ILE 115 Cb 1.26 -0.07 -0.05 0.00 -1.09 0.00 0.00 36.82 36.86 3ipr h ILE 115 CO 0.84 0.15 0.25 0.00 -1.08 0.00 0.00 178.15 178.31 3ipr h ALA 116 N 1.56 0.69 -0.17 0.18 0.00 -1.93 0.55 119.26 120.14 3ipr h ALA 116 Ca 0.49 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.40 3ipr h ALA 116 Cb 0.61 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3ipr h ALA 116 CO -0.32 -0.12 -0.07 1.49 0.00 0.00 0.00 179.25 180.23 3ipr h GLU 117 N 0.48 0.35 -0.59 0.00 4.81 -1.60 -3.07 114.58 114.95 3ipr h GLU 117 Ca 0.25 -0.15 0.08 0.00 -0.13 0.00 0.00 59.36 59.41 3ipr h GLU 117 Cb 0.20 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 3ipr h GLU 117 CO -0.20 0.65 0.25 0.00 -0.73 0.00 0.00 179.01 178.99 3ipr h ALA 118 N 0.68 0.77 -0.54 2.92 0.00 -0.15 -1.70 119.26 121.25 3ipr h ALA 118 Ca 0.04 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3ipr h ALA 118 Cb 0.54 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3ipr h ALA 118 CO 0.02 -0.14 0.36 0.00 0.00 0.00 0.00 179.25 179.49 3ipr h ALA 119 N 1.38 1.80 -0.35 0.00 0.00 0.13 -1.18 119.26 121.04 3ipr h ALA 119 Ca 0.29 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 3ipr h ALA 119 Cb 0.31 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ipr h ALA 119 CO -0.26 0.13 -0.43 1.96 0.00 0.00 0.00 179.25 180.65 3ipr h GLN 120 N 0.56 0.91 -0.33 0.00 4.20 -1.22 -2.40 115.11 116.82 3ipr h GLN 120 Ca 0.22 -0.51 -0.12 0.00 0.06 0.00 0.00 58.65 58.31 3ipr h GLN 120 Cb 0.19 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3ipr h GLN 120 CO -0.06 1.16 -0.27 0.00 -0.67 0.00 0.00 178.83 178.98 3ipr h ALA 121 N 0.74 0.90 -0.21 3.87 0.00 -1.09 -0.03 119.26 123.44 3ipr h ALA 121 Ca 0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3ipr h ALA 121 Cb 1.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3ipr h ALA 121 CO 0.10 0.62 0.02 0.82 0.00 0.00 0.00 179.25 180.82 3ipr h ILE 122 N 0.58 1.24 -0.34 0.00 2.04 -1.21 0.30 117.51 120.12 3ipr h ILE 122 Ca 0.08 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 3ipr h ILE 122 Cb 0.77 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 3ipr h ILE 122 CO 0.06 0.25 0.20 0.58 0.00 0.00 0.00 178.15 179.23 3ipr h VAL 123 N 0.14 1.13 -0.46 1.67 2.07 -1.32 0.14 116.25 119.62 3ipr h VAL 123 Ca 0.06 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.29 3ipr h VAL 123 Cb 0.35 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3ipr h VAL 123 CO 0.01 0.13 0.25 0.00 0.02 0.00 0.00 177.57 177.98 3ipr h ALA 124 N 1.07 0.58 -0.05 1.67 0.00 -0.74 -1.46 119.26 120.33 3ipr h ALA 124 Ca 0.12 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3ipr h ALA 124 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ipr h ALA 124 CO -0.02 -0.08 -0.42 0.37 0.00 0.00 0.00 179.25 179.10 3ipr h GLN 125 N 0.50 0.11 -0.68 0.00 5.75 -0.17 -2.43 115.11 118.19 3ipr h GLN 125 Ca 0.19 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 3ipr h GLN 125 Cb 0.07 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 3ipr h GLN 125 CO -0.11 0.51 0.37 0.78 -2.65 0.00 0.00 178.83 177.73 3ipr h GLY 126 N 1.26 1.01 1.08 2.39 0.00 0.30 -1.09 103.07 108.02 3ipr h GLY 126 Ca 0.01 -0.46 -0.20 0.00 0.00 0.00 0.00 47.33 46.67 3ipr h GLY 126 CO 0.06 0.44 -0.72 0.50 0.00 0.00 0.00 176.54 176.81 3ipr h LYS 127 N 0.93 0.69 -0.64 4.80 1.57 -1.20 -3.26 116.57 119.46 3ipr h LYS 127 Ca 0.24 -0.59 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 3ipr h LYS 127 Cb 0.04 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 3ipr h LYS 127 CO -0.04 1.20 0.30 1.49 -0.57 0.00 0.00 179.45 181.83 3ipr h GLU 128 N 0.38 0.90 0.00 3.15 4.81 -1.28 -2.79 114.58 119.75 3ipr h GLU 128 Ca -0.06 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3ipr h GLU 128 Cb 1.37 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3ipr h GLU 128 CO 0.15 0.71 0.00 0.66 -0.73 0.00 0.00 179.01 179.79 3ipr h SER 129 N 0.90 0.00 -3.53 1.04 4.64 -1.24 -3.42 113.55 111.93 3ipr h SER 129 Ca 0.22 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.92 3ipr h SER 129 Cb 0.11 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.07 3ipr h SER 129 CO -0.03 0.00 0.15 -0.69 -0.87 0.00 0.00 176.83 175.39 3ipr s VAL 130 N -3.56 4.93 0.18 0.95 1.01 -1.05 -5.02 120.40 117.84 3ipr s VAL 130 Ca 0.02 0.83 -0.24 0.00 0.00 0.00 0.00 61.98 62.59 3ipr s VAL 130 Cb 0.09 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.52 3ipr s VAL 130 CO 0.44 -0.15 0.82 0.00 0.00 0.00 0.00 175.10 176.21 3ipr s GLN 131 N 2.61 1.36 0.18 2.72 -2.07 -1.26 -5.03 119.66 118.17 3ipr s GLN 131 Ca 0.25 -0.70 0.09 0.00 -1.82 0.00 0.00 55.36 53.18 3ipr s GLN 131 Cb -0.15 0.50 -0.04 0.00 -1.09 0.00 0.00 33.01 32.23 3ipr s GLN 131 CO 0.12 -0.62 -0.10 0.00 -1.32 0.00 0.00 175.29 173.37 3ipr s ALA 132 N -3.55 2.94 -0.06 2.60 0.00 -1.26 -5.13 121.76 117.30 3ipr s ALA 132 Ca 0.09 -1.47 -0.02 0.00 0.00 0.00 0.00 51.96 50.56 3ipr s ALA 132 Cb -0.03 -0.74 0.04 0.00 0.00 0.00 0.00 23.12 22.39 3ipr s ALA 132 CO 0.00 0.47 0.11 -0.46 0.00 0.00 0.00 175.76 175.89 3ipr s TRP 133 N -1.69 -0.08 0.43 0.00 -0.00 -1.26 -5.13 118.94 111.21 3ipr s TRP 133 Ca 0.25 0.42 0.03 0.00 -0.00 0.00 0.00 56.10 56.80 3ipr s TRP 133 Cb -0.09 -0.27 -0.04 0.00 -0.00 0.00 0.00 33.47 33.08 3ipr s TRP 133 CO 0.15 -0.20 0.05 0.16 -0.00 0.00 0.00 176.95 177.11 3ipr s ASP 134 N 1.80 3.42 0.48 5.86 -4.77 -1.26 -5.05 116.67 117.15 3ipr s ASP 134 Ca -0.01 -1.56 0.26 0.00 -3.30 0.00 0.00 52.55 47.94 3ipr s ASP 134 Cb -0.12 0.24 1.13 0.00 -1.09 0.00 0.00 42.92 43.07 3ipr s ASP 134 CO -0.05 -0.75 1.91 -0.29 0.70 0.00 0.00 175.17 176.69 3ipr h ILE 135 N 1.68 0.48 0.00 2.11 6.09 -2.01 -2.81 117.51 123.05 3ipr h ILE 135 Ca -0.41 -0.89 0.00 0.00 -1.37 0.00 0.00 64.86 62.19 3ipr h ILE 135 Cb 1.28 1.62 0.00 0.00 0.47 0.00 0.00 36.82 40.19 3ipr h ILE 135 CO 0.70 0.17 0.00 0.77 -3.07 0.00 0.00 178.15 176.72 3ipr h SER 136 N 0.00 0.00 -3.56 2.19 4.64 -2.05 -3.44 113.55 111.34 3ipr h SER 136 Ca -0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 3ipr h SER 136 Cb 0.61 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.80 3ipr h SER 136 CO 0.02 0.00 0.25 -0.04 -0.87 0.00 0.00 176.83 176.19 3ipr s MET 137 N -3.56 1.82 -0.08 4.77 -1.94 -1.06 -5.06 119.30 114.19 3ipr s MET 137 Ca 0.02 -0.42 -0.14 0.00 -1.71 0.00 0.00 55.69 53.44 3ipr s MET 137 Cb 0.09 -2.13 -0.05 0.00 2.01 0.00 0.00 34.83 34.75 3ipr s MET 137 CO 0.50 -1.49 0.35 0.99 -0.01 0.00 0.00 175.02 175.36 3ipr s THR 138 N -3.35 5.19 0.00 2.05 2.01 -1.26 -4.94 115.64 115.34 3ipr s THR 138 Ca 0.64 0.70 0.00 0.00 0.31 0.00 0.00 61.69 63.34 3ipr s THR 138 Cb -0.09 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.75 3ipr s THR 138 CO 0.46 0.49 0.00 -0.24 -0.69 0.00 0.00 174.62 174.64