#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ipt s LEU 3 N 0.00 4.36 0.30 3.41 0.20 -1.26 -4.21 118.68 121.48 3ipt s LEU 3 Ca 0.00 2.41 -0.30 0.00 0.69 0.00 0.00 54.13 56.94 3ipt s LEU 3 Cb 0.00 -3.54 -0.12 0.00 -0.43 0.00 0.00 46.19 42.10 3ipt s LEU 3 CO 0.00 -0.94 1.49 -2.65 -0.29 0.00 0.00 176.35 173.97 3ipt n PRO 4 N 6.65 2.46 -1.21 0.98 -0.02 -1.26 -4.95 135.00 137.64 3ipt n PRO 4 Ca 0.17 0.87 -0.29 0.00 -2.02 0.00 0.00 63.50 62.24 3ipt n PRO 4 Cb 0.42 -2.59 0.17 0.00 -0.02 0.00 0.00 33.50 31.48 3ipt n PRO 4 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3ipt s THR 5 N -0.34 2.06 0.20 3.45 -4.23 -1.26 -4.20 115.64 111.33 3ipt s THR 5 Ca 0.62 0.02 -0.11 0.00 -1.18 0.00 0.00 61.69 61.04 3ipt s THR 5 Cb -0.54 -2.54 0.15 0.00 1.34 0.00 0.00 72.50 70.91 3ipt s THR 5 CO 0.53 -0.03 1.69 0.00 -0.54 0.00 0.00 174.62 176.28 3ipt h ALA 6 N -1.85 0.62 -0.47 3.99 0.00 -1.93 0.23 119.26 119.85 3ipt h ALA 6 Ca -0.54 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 3ipt h ALA 6 Cb 1.33 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 3ipt h ALA 6 CO 0.58 -0.34 -0.15 1.96 0.00 0.00 0.00 179.25 181.30 3ipt h GLN 7 N 0.20 0.90 -0.59 0.00 4.20 -1.91 -0.27 115.11 117.64 3ipt h GLN 7 Ca 0.29 -0.34 0.08 0.00 0.06 0.00 0.00 58.65 58.74 3ipt h GLN 7 Cb 0.44 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.10 3ipt h GLN 7 CO -0.41 0.99 0.24 0.93 -0.67 0.00 0.00 178.83 179.91 3ipt h GLU 8 N 0.80 0.44 -0.29 1.46 5.08 -1.69 -1.76 114.58 118.61 3ipt h GLU 8 Ca 0.12 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3ipt h GLU 8 Cb 0.69 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3ipt h GLU 8 CO 0.05 0.29 0.08 0.28 -1.00 0.00 0.00 179.01 178.71 3ipt h VAL 9 N 0.45 0.90 -0.83 3.13 2.07 0.04 0.45 116.25 122.46 3ipt h VAL 9 Ca 0.28 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.78 3ipt h VAL 9 Cb 0.30 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 3ipt h VAL 9 CO -0.26 0.04 0.52 1.56 0.02 0.00 0.00 177.57 179.45 3ipt h GLN 10 N 0.20 0.96 -0.65 1.57 4.20 -0.65 -0.54 115.11 120.20 3ipt h GLN 10 Ca 0.13 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3ipt h GLN 10 Cb 0.11 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 3ipt h GLN 10 CO -0.15 0.63 0.42 0.78 -0.67 0.00 0.00 178.83 179.84 3ipt h GLY 11 N 0.99 0.93 1.12 3.46 0.00 -0.59 -2.02 103.07 106.96 3ipt h GLY 11 Ca 0.35 -0.36 -0.15 0.00 0.00 0.00 0.00 47.33 47.16 3ipt h GLY 11 CO -0.14 0.36 -0.30 1.41 0.00 0.00 0.00 176.54 177.86 3ipt h LEU 12 N 0.89 1.02 -0.44 3.11 3.38 -0.63 -0.57 115.31 122.07 3ipt h LEU 12 Ca 0.24 -0.43 -0.15 0.00 0.09 0.00 0.00 57.88 57.62 3ipt h LEU 12 Cb -0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 3ipt h LEU 12 CO -0.05 1.24 -0.38 0.24 0.09 0.00 0.00 178.44 179.58 3ipt h MET 13 N 0.82 0.89 -0.29 1.13 2.86 -1.08 -1.53 114.93 117.71 3ipt h MET 13 Ca 0.09 -0.46 -0.06 0.00 -2.06 0.00 0.00 59.70 57.20 3ipt h MET 13 Cb 0.89 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.55 3ipt h MET 13 CO 0.08 1.11 -0.10 0.00 1.06 0.00 0.00 176.91 179.06 3ipt h ALA 14 N 0.83 1.29 -0.29 6.32 0.00 -1.24 -2.56 119.26 123.62 3ipt h ALA 14 Ca 0.06 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3ipt h ALA 14 Cb 0.96 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3ipt h ALA 14 CO 0.09 0.47 -0.18 -0.09 0.00 0.00 0.00 179.25 179.54 3ipt h ARG 15 N 0.45 0.52 -0.39 0.00 2.43 -0.35 -1.92 114.38 115.13 3ipt h ARG 15 Ca 0.09 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 3ipt h ARG 15 Cb 0.45 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3ipt h ARG 15 CO 0.02 0.68 0.08 0.66 -1.51 0.00 0.00 179.97 179.91 3ipt h SER 16 N 0.47 0.53 0.22 -3.80 4.64 -0.91 -0.62 113.55 114.09 3ipt h SER 16 Ca 0.08 -0.08 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 3ipt h SER 16 Cb 0.58 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 62.55 3ipt h SER 16 CO 0.04 0.54 -0.95 0.40 -0.87 0.00 0.00 176.83 175.99 3ipt h ILE 17 N 0.56 1.36 -0.31 0.95 1.08 -1.14 -1.78 117.51 118.23 3ipt h ILE 17 Ca 0.13 -2.35 0.07 0.00 -0.39 0.00 0.00 64.86 62.32 3ipt h ILE 17 Cb 0.23 2.37 -0.08 0.00 -3.07 0.00 0.00 36.82 36.27 3ipt h ILE 17 CO -0.00 0.71 -0.25 -0.33 -0.69 0.00 0.00 178.15 177.59 3ipt h GLU 18 N 0.29 -0.21 -0.44 2.37 4.39 -0.69 0.86 114.58 121.15 3ipt h GLU 18 Ca -0.09 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 3ipt h GLU 18 Cb 1.58 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 30.27 3ipt h GLU 18 CO 0.17 -0.14 0.03 -0.07 -1.16 0.00 0.00 179.01 177.84 3ipt h LEU 19 N -0.22 0.74 -0.69 1.33 3.38 -1.02 -2.17 115.31 116.65 3ipt h LEU 19 Ca 0.16 -0.29 0.15 0.00 0.09 0.00 0.00 57.88 57.99 3ipt h LEU 19 Cb 0.47 -0.20 -0.11 0.00 0.09 0.00 0.00 40.66 40.91 3ipt h LEU 19 CO -0.44 0.84 0.11 0.58 0.09 0.00 0.00 178.44 179.63 3ipt h VAL 20 N 0.61 0.50 -0.47 1.22 2.07 -1.17 0.10 116.25 119.11 3ipt h VAL 20 Ca 0.13 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.49 3ipt h VAL 20 Cb 0.45 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3ipt h VAL 20 CO 0.02 0.04 -0.06 -0.78 0.02 0.00 0.00 177.57 176.81 3ipt h ASP 21 N 0.21 0.80 1.39 0.57 3.58 -0.46 -2.02 116.42 120.49 3ipt h ASP 21 Ca 0.38 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.61 3ipt h ASP 21 Cb 0.64 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.47 3ipt h ASP 21 CO -0.52 0.90 -0.45 -0.37 -2.88 0.00 0.00 179.24 175.93 3ipt h VAL 22 N 0.75 0.00 0.00 2.25 -1.51 -1.34 -3.42 116.25 112.98 3ipt h VAL 22 Ca 0.13 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 3ipt h VAL 22 Cb 0.54 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 3ipt h VAL 22 CO 0.03 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.98 3ipt n GLY 23 N 1.20 1.03 3.51 5.19 0.00 -0.07 -4.95 105.19 111.09 3ipt n GLY 23 Ca 0.03 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 3ipt n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ipt s ASP 24 N -2.45 6.56 0.05 1.61 -1.08 -0.66 -4.88 116.67 115.82 3ipt s ASP 24 Ca 0.00 -1.72 -0.28 0.00 -0.52 0.00 0.00 52.55 50.03 3ipt s ASP 24 Cb 0.00 -2.49 -0.17 0.00 -1.46 0.00 0.00 42.92 38.80 3ipt s ASP 24 CO 0.00 -1.31 1.52 0.40 0.52 0.00 0.00 175.17 176.30 3ipt h ILE 25 N 6.36 0.60 -0.88 4.11 2.04 -1.93 -1.55 117.51 126.26 3ipt h ILE 25 Ca 0.18 -0.21 0.15 0.00 1.00 0.00 0.00 64.86 65.99 3ipt h ILE 25 Cb 1.02 0.71 -0.15 0.00 -0.74 0.00 0.00 36.82 37.65 3ipt h ILE 25 CO 1.28 0.04 -0.33 -0.33 0.00 0.00 0.00 178.15 178.82 3ipt h GLU 26 N -0.66 -0.03 -0.46 2.37 5.08 -1.98 0.24 114.58 119.14 3ipt h GLU 26 Ca -0.06 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3ipt h GLU 26 Cb 0.48 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3ipt h GLU 26 CO 0.09 -0.02 -0.01 0.00 -1.00 0.00 0.00 179.01 178.07 3ipt h ALA 27 N 1.47 0.62 0.46 3.43 0.00 -1.77 -1.69 119.26 121.78 3ipt h ALA 27 Ca 0.35 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ipt h ALA 27 Cb 0.61 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3ipt h ALA 27 CO -0.91 0.42 -0.41 0.82 0.00 0.00 0.00 179.25 179.17 3ipt h ILE 28 N 0.66 0.17 -0.99 0.00 2.04 -1.01 -2.90 117.51 115.48 3ipt h ILE 28 Ca 0.13 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.10 3ipt h ILE 28 Cb 0.51 0.17 -0.08 0.00 -0.74 0.00 0.00 36.82 36.68 3ipt h ILE 28 CO 0.02 0.00 0.63 0.58 0.00 0.00 0.00 178.15 179.38 3ipt h VAL 29 N -0.88 0.94 0.00 1.67 2.07 -0.67 0.29 116.25 119.67 3ipt h VAL 29 Ca -0.05 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 3ipt h VAL 29 Cb 0.76 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3ipt h VAL 29 CO -0.04 0.18 -0.00 -0.61 0.02 0.00 0.00 177.57 177.12 3ipt h GLN 30 N 0.98 0.00 0.00 1.57 5.75 -1.11 -1.29 115.11 121.01 3ipt h GLN 30 Ca 0.48 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.98 3ipt h GLN 30 Cb 0.47 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.02 3ipt h GLN 30 CO -0.24 0.00 0.00 -1.33 -2.65 0.00 0.00 178.83 174.61 3ipt n MET 31 N -3.85 0.16 -3.71 1.69 2.81 0.09 -4.77 117.12 109.54 3ipt n MET 31 Ca -0.03 0.37 -0.34 0.00 -1.81 0.00 0.00 57.70 55.89 3ipt n MET 31 Cb 0.08 -1.79 -0.05 0.00 -0.71 0.00 0.00 33.22 30.75 3ipt n MET 31 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 3ipt s TYR 32 N -3.24 3.57 0.64 2.03 2.02 -0.49 -0.89 117.35 120.99 3ipt s TYR 32 Ca 0.05 0.61 -0.17 0.00 -0.37 0.00 0.00 57.07 57.19 3ipt s TYR 32 Cb 0.10 -2.02 -0.06 0.00 -0.40 0.00 0.00 41.96 39.57 3ipt s TYR 32 CO 0.39 0.57 0.56 0.00 -1.57 0.00 0.00 175.55 175.50 3ipt n ALA 33 N 0.94 -1.19 -0.20 3.71 0.00 0.52 -4.68 120.51 119.60 3ipt n ALA 33 Ca -0.09 -0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.26 3ipt n ALA 33 Cb 0.52 -1.86 0.30 0.00 0.00 0.00 0.00 19.45 18.41 3ipt n ALA 33 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3ipt h ASP 34 N -0.02 0.77 -0.54 0.00 2.03 -1.93 -2.11 116.42 114.62 3ipt h ASP 34 Ca -0.46 -0.01 -0.31 0.00 -0.73 0.00 0.00 57.03 55.53 3ipt h ASP 34 Cb 1.37 -0.18 -0.18 0.00 -0.83 0.00 0.00 39.33 39.51 3ipt h ASP 34 CO 0.45 0.53 0.03 -0.90 -1.03 0.00 0.00 179.24 178.33 3ipt n ASP 35 N -4.45 3.27 -4.69 4.15 5.75 -1.26 -1.67 116.55 117.65 3ipt n ASP 35 Ca 0.09 -3.77 -0.33 0.00 -0.01 0.00 0.00 54.79 50.78 3ipt n ASP 35 Cb 0.12 -0.67 0.14 0.00 -1.03 0.00 0.00 41.12 39.68 3ipt n ASP 35 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ipt s ALA 36 N -3.34 1.73 -0.03 2.12 0.00 -0.79 -4.53 121.76 116.91 3ipt s ALA 36 Ca 0.49 0.77 0.07 0.00 0.00 0.00 0.00 51.96 53.28 3ipt s ALA 36 Cb 0.43 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 3ipt s ALA 36 CO 0.01 -2.43 -0.23 0.95 0.00 0.00 0.00 175.76 174.06 3ipt s THR 37 N -2.30 2.29 -0.04 0.00 -4.23 -0.79 -1.23 115.64 109.33 3ipt s THR 37 Ca 0.71 -1.02 0.02 0.00 -1.18 0.00 0.00 61.69 60.22 3ipt s THR 37 Cb -0.27 -1.82 0.01 0.00 1.34 0.00 0.00 72.50 71.76 3ipt s THR 37 CO 0.53 0.58 -0.09 -0.69 -0.54 0.00 0.00 174.62 174.41 3ipt s VAL 38 N -0.63 0.82 -0.31 2.29 1.01 -0.46 -1.32 120.40 121.80 3ipt s VAL 38 Ca 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 3ipt s VAL 38 Cb -0.10 -0.75 0.04 0.00 0.00 0.00 0.00 36.38 35.57 3ipt s VAL 38 CO -0.01 0.27 0.03 -1.61 0.00 0.00 0.00 175.10 173.78 3ipt s GLU 39 N 0.43 2.51 -0.27 2.72 2.02 -0.58 -0.70 118.70 124.84 3ipt s GLU 39 Ca -0.07 -1.22 -0.01 0.00 0.02 0.00 0.00 54.97 53.69 3ipt s GLU 39 Cb -0.11 -3.26 0.14 0.00 0.10 0.00 0.00 34.13 31.00 3ipt s GLU 39 CO 0.01 -0.62 0.37 1.21 0.02 0.00 0.00 175.26 176.25 3ipt s ASN 40 N 1.30 0.57 0.48 -0.19 3.84 -1.26 -0.82 114.94 118.86 3ipt s ASN 40 Ca -0.04 -0.18 -0.19 0.00 0.21 0.00 0.00 52.86 52.66 3ipt s ASN 40 Cb -0.20 0.99 -0.09 0.00 -0.55 0.00 0.00 41.25 41.40 3ipt s ASN 40 CO 0.00 -0.34 0.98 -2.16 -2.79 0.00 0.00 177.10 172.80 3ipt s PRO 41 N 2.51 4.01 -0.03 0.43 0.04 -1.26 -4.96 135.00 135.73 3ipt s PRO 41 Ca 0.11 1.13 -0.37 0.00 0.04 0.00 0.00 61.00 61.90 3ipt s PRO 41 Cb -0.14 -2.14 -0.15 0.00 0.04 0.00 0.00 34.50 32.11 3ipt s PRO 41 CO -0.24 -0.23 1.56 0.34 0.04 0.00 0.00 177.00 178.48 3ipt n PHE 42 N -1.06 1.90 0.00 0.56 7.35 0.65 -1.24 117.46 125.62 3ipt n PHE 42 Ca 0.07 0.47 0.00 0.00 -0.76 0.00 0.00 57.45 57.23 3ipt n PHE 42 Cb 0.54 -2.45 0.00 0.00 0.35 0.00 0.00 39.48 37.92 3ipt n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ipt n GLY 43 N 3.38 1.90 3.96 7.13 0.00 -1.26 -4.86 105.19 115.44 3ipt n GLY 43 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 3ipt n GLY 43 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ipt s GLN 44 N -0.09 2.65 0.56 1.61 2.00 -0.37 -5.03 119.66 121.00 3ipt s GLN 44 Ca 0.00 -0.61 -0.21 0.00 -2.00 0.00 0.00 55.36 52.55 3ipt s GLN 44 Cb 0.00 -2.46 -0.04 0.00 0.80 0.00 0.00 33.01 31.31 3ipt s GLN 44 CO 0.00 -0.66 1.29 -2.14 -0.50 0.00 0.00 175.29 173.28 3ipt s PRO 45 N -4.78 3.08 0.62 1.67 0.02 -1.26 -4.78 135.00 129.57 3ipt s PRO 45 Ca 0.55 2.07 -0.07 0.00 0.02 0.00 0.00 61.00 63.56 3ipt s PRO 45 Cb -0.10 -2.14 0.01 0.00 0.02 0.00 0.00 34.50 32.28 3ipt s PRO 45 CO 0.39 -1.18 0.95 -2.14 -0.33 0.00 0.00 177.00 174.69 3ipt s PRO 46 N -3.05 2.95 -0.04 5.54 0.02 -1.26 -4.73 135.00 134.44 3ipt s PRO 46 Ca 0.74 0.15 0.06 0.00 0.02 0.00 0.00 61.00 61.97 3ipt s PRO 46 Cb -0.36 -2.20 -0.02 0.00 0.02 0.00 0.00 34.50 31.93 3ipt s PRO 46 CO 0.42 -0.76 -0.22 0.96 -0.33 0.00 0.00 177.00 177.07 3ipt s ILE 47 N -3.08 2.42 -0.09 2.83 -4.36 0.13 -4.96 121.20 114.09 3ipt s ILE 47 Ca 0.55 -0.96 0.03 0.00 -0.26 0.00 0.00 60.65 60.01 3ipt s ILE 47 Cb -0.11 -1.89 -0.01 0.00 1.25 0.00 0.00 42.46 41.70 3ipt s ILE 47 CO 0.47 0.58 -0.18 -1.00 0.24 0.00 0.00 174.94 175.05 3ipt s HIS 48 N -0.52 2.66 0.00 1.37 3.76 -1.26 -1.35 115.29 119.94 3ipt s HIS 48 Ca 0.07 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.39 3ipt s HIS 48 Cb -0.11 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 31.87 3ipt s HIS 48 CO 0.01 -0.14 0.00 0.41 -0.85 0.00 0.00 174.74 174.17 3ipt n GLY 49 N 3.07 1.53 0.39 -2.22 0.00 -0.37 -4.04 105.19 103.55 3ipt n GLY 49 Ca -0.18 -1.67 0.18 0.00 0.00 0.00 0.00 46.02 44.35 3ipt n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ipt h ARG 50 N 0.00 0.36 -0.30 1.61 3.08 -1.50 -1.82 114.38 115.80 3ipt h ARG 50 Ca 0.00 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 3ipt h ARG 50 Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3ipt h ARG 50 CO 0.00 0.24 -0.17 1.49 -1.07 0.00 0.00 179.97 180.46 3ipt h GLU 51 N 0.37 0.64 0.00 0.04 4.22 -1.86 0.27 114.58 118.26 3ipt h GLU 51 Ca 0.40 -0.29 -0.03 0.00 0.08 0.00 0.00 59.36 59.52 3ipt h GLU 51 Cb 1.02 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 3ipt h GLU 51 CO -0.13 0.88 -0.14 1.96 -2.18 0.00 0.00 179.01 179.40 3ipt h GLN 52 N 0.40 0.00 0.07 1.92 4.20 -1.58 -2.37 115.11 117.74 3ipt h GLN 52 Ca 0.06 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.52 3ipt h GLN 52 Cb 0.70 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 3ipt h GLN 52 CO 0.05 0.14 -1.18 0.82 -0.67 0.00 0.00 178.83 177.99 3ipt h ILE 53 N 0.00 1.54 -1.00 2.54 2.04 -0.81 -1.82 117.51 119.99 3ipt h ILE 53 Ca -0.00 -3.18 0.02 0.00 1.00 0.00 0.00 64.86 62.70 3ipt h ILE 53 Cb 0.72 2.87 -0.05 0.00 -0.74 0.00 0.00 36.82 39.62 3ipt h ILE 53 CO 0.02 0.91 0.66 0.00 0.00 0.00 0.00 178.15 179.73 3ipt h ALA 54 N 0.76 1.30 -0.25 1.87 0.00 -0.24 -1.44 119.26 121.26 3ipt h ALA 54 Ca -0.10 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3ipt h ALA 54 Cb 1.89 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 3ipt h ALA 54 CO 0.17 0.60 -0.35 0.00 0.00 0.00 0.00 179.25 179.67 3ipt h ALA 55 N 1.39 0.38 -0.23 0.00 0.00 -1.22 0.11 119.26 119.69 3ipt h ALA 55 Ca 0.38 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3ipt h ALA 55 Cb -0.07 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 3ipt h ALA 55 CO -0.10 0.44 -0.44 0.35 0.00 0.00 0.00 179.25 179.49 3ipt h PHE 56 N 0.39 -1.28 -0.26 0.00 3.57 -0.71 -0.68 116.94 117.97 3ipt h PHE 56 Ca 0.03 0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 3ipt h PHE 56 Cb 0.93 0.59 -0.02 0.00 2.79 0.00 0.00 35.95 40.25 3ipt h PHE 56 CO 0.08 -0.47 -0.13 1.88 -2.23 0.00 0.00 178.31 177.43 3ipt h TYR 57 N -0.45 0.48 -0.54 0.41 0.05 -0.96 -0.54 116.97 115.42 3ipt h TYR 57 Ca 0.09 -0.07 -0.06 0.00 0.05 0.00 0.00 58.73 58.73 3ipt h TYR 57 Cb 0.62 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 3ipt h TYR 57 CO -0.55 0.57 0.08 0.00 -1.05 0.00 0.00 178.16 177.21 3ipt h ARG 58 N 0.41 0.89 -0.26 4.88 3.08 -0.61 0.60 114.38 123.37 3ipt h ARG 58 Ca 0.08 -0.24 -0.13 0.00 0.07 0.00 0.00 59.98 59.76 3ipt h ARG 58 Cb 0.48 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3ipt h ARG 58 CO 0.03 0.87 -0.37 0.37 -1.07 0.00 0.00 179.97 179.80 3ipt h GLN 59 N 0.78 0.59 0.09 0.04 5.75 -0.93 -3.28 115.11 118.16 3ipt h GLN 59 Ca 0.16 -0.29 -0.34 0.00 -0.15 0.00 0.00 58.65 58.04 3ipt h GLN 59 Cb 0.41 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 3ipt h GLN 59 CO 0.01 0.87 -1.84 0.78 -2.65 0.00 0.00 178.83 176.01 3ipt h GLY 60 N 1.03 0.22 -6.21 2.39 0.00 -0.74 -3.51 103.07 96.26 3ipt h GLY 60 Ca 0.05 -0.57 -0.60 0.00 0.00 0.00 0.00 47.33 46.21 3ipt h GLY 60 CO 0.07 0.50 -0.22 1.08 0.00 0.00 0.00 176.54 177.98 3ipt s LEU 61 N -6.78 4.18 -0.27 3.11 1.43 0.21 -4.97 118.68 115.59 3ipt s LEU 61 Ca -0.15 0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 53.21 3ipt s LEU 61 Cb 0.07 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 3ipt s LEU 61 CO 0.80 -0.04 1.76 -0.75 0.23 0.00 0.00 176.35 178.36 3ipt s LYS 65 N 1.08 3.52 -0.03 1.70 2.20 -1.26 -5.00 119.74 121.95 3ipt s LYS 65 Ca 0.19 1.59 0.01 0.00 -0.36 0.00 0.00 55.97 57.40 3ipt s LYS 65 Cb -0.14 -4.15 0.02 0.00 -1.51 0.00 0.00 37.83 32.05 3ipt s LYS 65 CO 0.07 -1.63 -0.01 0.08 -0.36 0.00 0.00 175.35 173.50 3ipt s VAL 66 N 6.27 0.24 0.13 4.02 1.01 -1.26 -4.25 120.40 126.57 3ipt s VAL 66 Ca 0.78 0.02 0.11 0.00 0.00 0.00 0.00 61.98 62.89 3ipt s VAL 66 Cb -0.25 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 3ipt s VAL 66 CO 0.33 0.15 -0.27 -0.13 0.00 0.00 0.00 175.10 175.18 3ipt s ARG 67 N 0.83 1.40 -0.01 2.72 0.52 -0.15 -4.80 118.95 119.46 3ipt s ARG 67 Ca -0.09 -1.36 -0.06 0.00 -0.52 0.00 0.00 55.73 53.71 3ipt s ARG 67 Cb -0.12 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.47 3ipt s ARG 67 CO -0.01 0.44 0.12 0.00 0.02 0.00 0.00 175.30 175.87 3ipt s ALA 68 N -1.11 -0.27 -0.24 2.13 0.00 -1.26 -0.96 121.76 120.05 3ipt s ALA 68 Ca 0.14 -0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.81 3ipt s ALA 68 Cb -0.10 0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.14 3ipt s ALA 68 CO 0.06 -0.17 0.62 0.00 0.00 0.00 0.00 175.76 176.27 3ipt n LEU 70 N 3.06 3.58 -0.62 0.00 4.77 -1.26 -1.12 117.00 125.41 3ipt n LEU 70 Ca -0.15 1.16 0.05 0.00 -0.03 0.00 0.00 56.01 57.05 3ipt n LEU 70 Cb 0.56 -1.49 0.15 0.00 -2.33 0.00 0.00 43.42 40.31 3ipt n LEU 70 CO 0.05 -0.32 0.63 0.35 -1.33 0.00 0.00 177.39 176.77 3ipt n THR 71 N 1.48 1.05 -4.01 -5.08 -2.24 0.28 -4.84 114.28 100.92 3ipt n THR 71 Ca 0.09 -1.03 0.04 0.00 -2.27 0.00 0.00 64.05 60.87 3ipt n THR 71 Cb 0.34 0.47 0.01 0.00 -2.10 0.00 0.00 70.33 69.05 3ipt n THR 71 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3ipt s GLY 72 N -1.04 -0.18 0.65 3.38 0.00 -1.24 -4.99 107.32 103.91 3ipt s GLY 72 Ca 0.23 0.11 -0.12 0.00 0.00 0.00 0.00 44.72 44.94 3ipt s GLY 72 CO 0.15 6.21 1.05 2.56 0.00 0.00 0.00 173.10 183.06 3ipt s PRO 73 N -2.02 3.17 0.05 2.90 0.04 -1.26 -4.59 135.00 133.29 3ipt s PRO 73 Ca 0.31 0.98 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 3ipt s PRO 73 Cb -0.00 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 3ipt s PRO 73 CO -0.02 -0.91 1.16 0.08 0.04 0.00 0.00 177.00 177.35 3ipt s VAL 74 N -2.90 4.18 -0.26 -0.36 1.01 -1.26 -4.56 120.40 116.25 3ipt s VAL 74 Ca 0.59 1.56 -0.19 0.00 0.00 0.00 0.00 61.98 63.94 3ipt s VAL 74 Cb -0.14 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 3ipt s VAL 74 CO 0.49 0.12 0.55 -0.13 0.00 0.00 0.00 175.10 176.13 3ipt s ARG 75 N 1.11 4.08 0.03 2.72 3.00 0.43 -4.94 118.95 125.38 3ipt s ARG 75 Ca 0.57 0.40 0.09 0.00 0.00 0.00 0.00 55.73 56.79 3ipt s ARG 75 Cb -0.28 -3.65 -0.03 0.00 0.00 0.00 0.00 34.95 30.99 3ipt s ARG 75 CO 0.29 -0.37 -0.26 0.00 0.00 0.00 0.00 175.30 174.95 3ipt s ALA 76 N 2.37 2.21 0.35 2.13 0.00 -1.26 -0.24 121.76 127.32 3ipt s ALA 76 Ca 0.23 -1.22 0.05 0.00 0.00 0.00 0.00 51.96 51.02 3ipt s ALA 76 Cb -0.16 -0.49 0.06 0.00 0.00 0.00 0.00 23.12 22.53 3ipt s ALA 76 CO 0.09 0.53 0.45 -1.13 0.00 0.00 0.00 175.76 175.70 3ipt n SER 77 N 1.98 1.09 -1.08 0.00 3.41 0.09 -4.99 113.62 114.12 3ipt n SER 77 Ca -0.17 -1.81 0.08 0.00 -0.26 0.00 0.00 58.87 56.71 3ipt n SER 77 Cb 0.52 -0.25 0.27 0.00 -0.26 0.00 0.00 64.21 64.50 3ipt n SER 77 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3ipt n HIS 78 N -1.75 1.09 -2.10 7.33 8.25 -1.26 -3.97 115.22 122.81 3ipt n HIS 78 Ca 0.09 -0.75 -0.03 0.00 -0.26 0.00 0.00 57.72 56.77 3ipt n HIS 78 Cb 0.32 -0.28 0.09 0.00 1.12 0.00 0.00 29.99 31.25 3ipt n HIS 78 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3ipt n ASN 79 N 0.08 2.32 0.00 0.41 2.04 -1.26 -4.95 115.26 113.90 3ipt n ASN 79 Ca 0.21 -3.14 0.00 0.00 -0.44 0.00 0.00 54.58 51.21 3ipt n ASN 79 Cb 0.85 -0.42 0.00 0.00 -2.53 0.00 0.00 39.78 37.68 3ipt n ASN 79 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3ipt n GLY 80 N -0.57 0.56 3.40 4.83 0.00 -1.26 -4.87 105.19 107.27 3ipt n GLY 80 Ca 0.20 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 3ipt n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ipt s GLY 82 N -3.39 -0.39 0.06 0.00 0.00 -0.02 -0.73 107.32 102.86 3ipt s GLY 82 Ca 0.26 0.71 0.04 0.00 0.00 0.00 0.00 44.72 45.73 3ipt s GLY 82 CO 0.10 0.22 -0.12 0.00 0.00 0.00 0.00 173.10 173.30 3ipt s ALA 83 N -3.16 0.97 -0.00 3.20 0.00 0.66 -0.69 121.76 122.75 3ipt s ALA 83 Ca 0.08 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 50.95 3ipt s ALA 83 Cb -0.01 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.09 3ipt s ALA 83 CO -0.05 0.10 0.32 0.00 0.00 0.00 0.00 175.76 176.12 3ipt s MET 84 N -1.74 0.71 -0.06 0.00 0.23 0.11 -0.43 119.30 118.12 3ipt s MET 84 Ca -0.04 -0.25 -0.03 0.00 -1.03 0.00 0.00 55.69 54.34 3ipt s MET 84 Cb -0.10 0.31 -0.04 0.00 -1.53 0.00 0.00 34.83 33.48 3ipt s MET 84 CO 0.02 -0.21 0.09 -1.25 -2.03 0.00 0.00 175.02 171.64 3ipt s PRO 85 N -1.61 3.20 0.30 3.16 0.04 -1.26 -1.58 135.00 137.25 3ipt s PRO 85 Ca -0.12 -0.34 -0.19 0.00 0.04 0.00 0.00 61.00 60.39 3ipt s PRO 85 Cb -0.04 -2.97 0.02 0.00 0.04 0.00 0.00 34.50 31.56 3ipt s PRO 85 CO 0.03 0.70 0.71 -0.59 0.04 0.00 0.00 177.00 177.89 3ipt s PHE 86 N -1.08 -0.07 -0.01 0.56 -0.71 -0.38 -0.55 117.98 115.73 3ipt s PHE 86 Ca 0.19 -0.41 0.05 0.00 -1.04 0.00 0.00 56.93 55.71 3ipt s PHE 86 Cb -0.12 0.68 -0.01 0.00 -1.21 0.00 0.00 43.02 42.36 3ipt s PHE 86 CO 0.08 -1.27 -0.16 0.50 -1.34 0.00 0.00 175.22 173.03 3ipt s ARG 87 N -3.65 1.30 -0.16 1.99 3.52 -0.27 -0.94 118.95 120.74 3ipt s ARG 87 Ca 0.13 -0.56 -0.00 0.00 -0.13 0.00 0.00 55.73 55.17 3ipt s ARG 87 Cb -0.05 -1.25 -0.01 0.00 -1.56 0.00 0.00 34.95 32.09 3ipt s ARG 87 CO 0.08 0.33 -0.14 0.08 -0.81 0.00 0.00 175.30 174.85 3ipt s VAL 88 N -0.34 2.83 -0.13 7.11 1.01 0.07 -1.75 120.40 129.20 3ipt s VAL 88 Ca 0.05 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 3ipt s VAL 88 Cb -0.06 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3ipt s VAL 88 CO -0.00 0.51 0.12 -1.61 0.00 0.00 0.00 175.10 174.11 3ipt s GLU 89 N 0.80 3.51 0.06 2.72 2.02 -0.13 -0.44 118.70 127.24 3ipt s GLU 89 Ca -0.05 -0.19 -0.03 0.00 0.02 0.00 0.00 54.97 54.72 3ipt s GLU 89 Cb -0.15 -3.17 0.01 0.00 0.10 0.00 0.00 34.13 30.92 3ipt s GLU 89 CO 0.00 0.68 0.13 0.00 0.02 0.00 0.00 175.26 176.10 3ipt n MET 90 N 2.29 0.18 -3.99 1.61 0.00 -0.73 -0.98 117.12 115.49 3ipt n MET 90 Ca -0.19 -0.36 -0.22 0.00 0.00 0.00 0.00 57.70 56.93 3ipt n MET 90 Cb 0.54 0.45 -0.17 0.00 0.00 0.00 0.00 33.22 34.04 3ipt n MET 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3ipt s VAL 91 N -2.82 0.56 -0.31 3.17 1.01 -1.26 -1.19 120.40 119.56 3ipt s VAL 91 Ca 0.03 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.96 3ipt s VAL 91 Cb -0.01 -0.63 0.07 0.00 0.00 0.00 0.00 36.38 35.82 3ipt s VAL 91 CO 0.02 0.26 -0.01 0.86 0.00 0.00 0.00 175.10 176.23 3ipt s TRP 92 N 1.41 3.42 -0.99 5.22 -0.00 -0.05 -4.71 118.94 123.24 3ipt s TRP 92 Ca -0.03 -2.39 -0.20 0.00 -0.00 0.00 0.00 56.10 53.48 3ipt s TRP 92 Cb -0.13 -2.36 0.03 0.00 -0.00 0.00 0.00 33.47 31.01 3ipt s TRP 92 CO -0.03 -0.89 0.60 0.09 -0.00 0.00 0.00 176.95 176.73 3ipt n ASN 93 N 4.45 -4.05 0.00 5.86 5.03 -1.26 -1.17 115.26 124.13 3ipt n ASN 93 Ca -0.08 -1.11 0.00 0.00 0.87 0.00 0.00 54.58 54.26 3ipt n ASN 93 Cb 0.42 -1.47 0.00 0.00 -1.02 0.00 0.00 39.78 37.71 3ipt n ASN 93 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ipt n GLY 94 N -1.85 2.22 3.51 7.41 0.00 -1.26 -5.00 105.19 110.21 3ipt n GLY 94 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 3ipt n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ipt s GLN 95 N -0.03 3.55 0.27 1.61 -0.21 -0.31 -5.05 119.66 119.49 3ipt s GLN 95 Ca 0.00 -0.59 -0.30 0.00 0.02 0.00 0.00 55.36 54.50 3ipt s GLN 95 Cb 0.00 -3.66 -0.10 0.00 1.00 0.00 0.00 33.01 30.25 3ipt s GLN 95 CO 0.00 -0.36 1.42 -2.14 -2.12 0.00 0.00 175.29 172.09 3ipt s PRO 96 N 1.69 4.27 0.28 2.91 0.02 -1.26 -0.87 135.00 142.04 3ipt s PRO 96 Ca 0.06 2.30 -0.05 0.00 0.02 0.00 0.00 61.00 63.33 3ipt s PRO 96 Cb -0.17 -3.10 -0.01 0.00 0.02 0.00 0.00 34.50 31.24 3ipt s PRO 96 CO 0.09 -0.38 0.38 0.00 -0.33 0.00 0.00 177.00 176.75 3ipt s ALA 98 N -3.66 0.34 -0.04 0.00 0.00 -0.41 -1.78 121.76 116.21 3ipt s ALA 98 Ca 0.31 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3ipt s ALA 98 Cb 0.01 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.29 3ipt s ALA 98 CO 0.15 -0.14 -0.02 -1.17 0.00 0.00 0.00 175.76 174.58 3ipt s LEU 99 N -1.73 1.13 -0.05 0.00 2.96 0.42 -0.64 118.68 120.78 3ipt s LEU 99 Ca -0.10 -0.07 -0.19 0.00 -0.22 0.00 0.00 54.13 53.54 3ipt s LEU 99 Cb -0.07 -0.35 -0.05 0.00 0.50 0.00 0.00 46.19 46.22 3ipt s LEU 99 CO -0.02 -0.10 0.53 -1.81 -1.32 0.00 0.00 176.35 173.64 3ipt s ASP 100 N 1.13 6.85 0.02 3.68 1.01 -0.70 -0.75 116.67 127.92 3ipt s ASP 100 Ca -0.08 1.02 0.00 0.00 0.71 0.00 0.00 52.55 54.20 3ipt s ASP 100 Cb -0.14 -2.32 -0.02 0.00 1.01 0.00 0.00 42.92 41.45 3ipt s ASP 100 CO -0.01 0.09 -0.03 -0.69 0.21 0.00 0.00 175.17 174.73 3ipt s VAL 101 N 0.01 0.11 -0.02 -1.27 1.01 -0.12 -4.79 120.40 115.33 3ipt s VAL 101 Ca 0.29 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.45 3ipt s VAL 101 Cb -0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 3ipt s VAL 101 CO 0.14 -0.49 -0.23 -0.63 0.00 0.00 0.00 175.10 173.90 3ipt s ILE 102 N -1.42 1.83 -0.06 2.22 1.01 -0.83 -1.25 121.20 122.70 3ipt s ILE 102 Ca -0.16 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.55 3ipt s ILE 102 Cb -0.10 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 3ipt s ILE 102 CO -0.01 0.52 -0.17 -1.81 0.00 0.00 0.00 174.94 173.47 3ipt s ASP 103 N -0.46 3.81 -0.13 3.58 1.11 -0.61 0.04 116.67 124.00 3ipt s ASP 103 Ca 0.07 -0.28 0.01 0.00 0.18 0.00 0.00 52.55 52.53 3ipt s ASP 103 Cb -0.10 -0.89 -0.01 0.00 1.07 0.00 0.00 42.92 43.00 3ipt s ASP 103 CO -0.00 0.31 -0.17 -0.69 1.18 0.00 0.00 175.17 175.80 3ipt s VAL 104 N -0.51 2.65 0.06 -1.27 1.01 0.05 -0.71 120.40 121.68 3ipt s VAL 104 Ca 0.07 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.29 3ipt s VAL 104 Cb -0.12 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3ipt s VAL 104 CO 0.01 0.53 -0.12 -0.04 0.00 0.00 0.00 175.10 175.48 3ipt s MET 105 N 0.52 0.73 -0.18 2.72 -1.94 0.13 -0.91 119.30 120.37 3ipt s MET 105 Ca -0.11 -0.86 -0.00 0.00 -1.71 0.00 0.00 55.69 53.01 3ipt s MET 105 Cb -0.16 -0.66 0.04 0.00 2.01 0.00 0.00 34.83 36.06 3ipt s MET 105 CO 0.04 0.14 -0.06 0.50 -0.01 0.00 0.00 175.02 175.63 3ipt s ARG 106 N -1.60 1.59 0.31 2.03 3.52 -0.49 -0.84 118.95 123.47 3ipt s ARG 106 Ca -0.04 -0.63 -0.03 0.00 -0.13 0.00 0.00 55.73 54.90 3ipt s ARG 106 Cb -0.10 -2.15 -0.04 0.00 -1.56 0.00 0.00 34.95 31.10 3ipt s ARG 106 CO 0.02 -0.45 0.55 -0.06 -0.81 0.00 0.00 175.30 174.55 3ipt s PHE 107 N 1.56 3.49 0.21 5.12 0.40 0.76 -0.68 117.98 128.84 3ipt s PHE 107 Ca -0.00 0.53 0.04 0.00 -0.60 0.00 0.00 56.93 56.90 3ipt s PHE 107 Cb -0.16 -2.03 0.04 0.00 0.51 0.00 0.00 43.02 41.38 3ipt s PHE 107 CO -0.08 0.16 0.29 -0.40 0.70 0.00 0.00 175.22 175.89 3ipt n ASP 108 N -1.23 0.77 0.00 1.36 5.68 -0.21 -4.78 116.55 118.14 3ipt n ASP 108 Ca -0.03 -1.56 0.11 0.00 -0.50 0.00 0.00 54.79 52.82 3ipt n ASP 108 Cb 0.55 -0.15 0.56 0.00 -1.14 0.00 0.00 41.12 40.93 3ipt n ASP 108 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3ipt n GLU 109 N -1.46 0.20 -0.20 0.11 0.00 -1.26 -1.80 120.64 116.23 3ipt n GLU 109 Ca 0.06 0.08 0.12 0.00 0.00 0.00 0.00 57.16 57.41 3ipt n GLU 109 Cb 0.22 -1.50 0.25 0.00 0.00 0.00 0.00 31.44 30.40 3ipt n GLU 109 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3ipt n HIS 110 N -1.37 0.52 -1.23 -1.84 8.25 -1.26 -1.69 115.22 116.59 3ipt n HIS 110 Ca 0.09 -0.26 -0.01 0.00 -0.26 0.00 0.00 57.72 57.28 3ipt n HIS 110 Cb 0.22 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.33 3ipt n HIS 110 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ipt n GLY 111 N 1.47 0.42 3.68 -1.41 0.00 -0.75 -4.91 105.19 103.70 3ipt n GLY 111 Ca 0.19 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 3ipt n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ipt s ARG 112 N -2.48 2.44 -0.24 1.61 0.52 -1.26 -4.87 118.95 114.67 3ipt s ARG 112 Ca 0.00 -1.23 -0.28 0.00 -0.52 0.00 0.00 55.73 53.70 3ipt s ARG 112 Cb 0.00 -2.31 0.01 0.00 0.52 0.00 0.00 34.95 33.17 3ipt s ARG 112 CO 0.00 0.41 0.99 0.42 0.02 0.00 0.00 175.30 177.14 3ipt s ILE 113 N -2.05 4.70 -0.05 1.52 1.01 -0.07 -1.05 121.20 125.22 3ipt s ILE 113 Ca 0.30 1.89 -0.15 0.00 0.00 0.00 0.00 60.65 62.69 3ipt s ILE 113 Cb -0.08 -4.28 -0.31 0.00 0.01 0.00 0.00 42.46 37.81 3ipt s ILE 113 CO 0.20 -0.18 0.75 -0.61 0.00 0.00 0.00 174.94 175.10 3ipt h GLN 114 N 7.56 0.37 -4.61 2.79 5.75 -1.21 0.15 115.11 125.91 3ipt h GLN 114 Ca -0.20 -0.64 -0.31 0.00 -0.15 0.00 0.00 58.65 57.35 3ipt h GLN 114 Cb 1.07 0.24 -0.24 0.00 1.07 0.00 0.00 27.48 29.62 3ipt h GLN 114 CO 0.96 1.30 -0.75 0.99 -2.65 0.00 0.00 178.83 178.69 3ipt s THR 115 N -2.53 0.60 -0.02 2.39 2.01 -1.02 -1.89 115.64 115.18 3ipt s THR 115 Ca -0.15 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.02 3ipt s THR 115 Cb 0.04 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.96 3ipt s THR 115 CO 0.85 -0.19 -0.04 -0.32 -0.69 0.00 0.00 174.62 174.23 3ipt s MET 116 N -1.12 0.55 -0.09 4.92 1.75 -0.43 -1.39 119.30 123.48 3ipt s MET 116 Ca -0.05 -0.12 0.03 0.00 -1.25 0.00 0.00 55.69 54.30 3ipt s MET 116 Cb -0.07 -0.57 0.01 0.00 2.84 0.00 0.00 34.83 37.03 3ipt s MET 116 CO 0.00 0.02 -0.18 -0.65 -0.65 0.00 0.00 175.02 173.56 3ipt s GLN 117 N 0.39 2.38 -0.25 4.11 -0.21 -0.09 -1.52 119.66 124.46 3ipt s GLN 117 Ca -0.04 -0.64 -0.07 0.00 0.02 0.00 0.00 55.36 54.62 3ipt s GLN 117 Cb -0.08 -1.87 -0.02 0.00 1.00 0.00 0.00 33.01 32.04 3ipt s GLN 117 CO -0.00 0.09 0.07 0.00 -2.12 0.00 0.00 175.29 173.32 3ipt s ALA 118 N 0.54 3.14 -0.25 6.09 0.00 0.00 -0.77 121.76 130.52 3ipt s ALA 118 Ca -0.16 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 50.51 3ipt s ALA 118 Cb -0.17 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 3ipt s ALA 118 CO 0.06 -0.52 0.31 0.71 0.00 0.00 0.00 175.76 176.31 3ipt s TYR 119 N 1.60 3.29 0.00 0.00 1.51 0.11 -0.25 117.35 123.60 3ipt s TYR 119 Ca 0.06 0.38 0.00 0.00 -1.01 0.00 0.00 57.07 56.50 3ipt s TYR 119 Cb -0.15 -2.47 0.00 0.00 -0.11 0.00 0.00 41.96 39.23 3ipt s TYR 119 CO 0.03 -0.10 0.00 -2.67 -1.11 0.00 0.00 175.55 171.70 3ipt n TRP 120 N 4.85 0.00 -3.14 2.71 4.27 -1.26 -1.96 117.44 122.90 3ipt n TRP 120 Ca -0.11 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.50 3ipt n TRP 120 Cb 0.51 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.46 3ipt n TRP 120 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 3ipt n SER 121 N 0.00 0.00 0.25 -0.67 3.41 -1.26 -4.73 113.62 110.62 3ipt n SER 121 Ca 0.00 -0.99 0.12 0.00 -0.26 0.00 0.00 58.87 57.75 3ipt n SER 121 Cb 0.00 0.00 0.64 0.00 -0.26 0.00 0.00 64.21 64.59 3ipt n SER 121 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3ipt h GLU 122 N 0.00 0.00 -0.05 4.33 3.07 -2.00 0.11 114.58 120.04 3ipt h GLU 122 Ca 0.00 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.88 3ipt h GLU 122 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3ipt h GLU 122 CO 0.00 0.15 0.09 -0.39 -1.40 0.00 0.00 179.01 177.46 3ipt h VAL 123 N 0.00 0.30 -0.05 3.13 -1.51 -2.01 -0.89 116.25 115.23 3ipt h VAL 123 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3ipt h VAL 123 Cb 0.49 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 3ipt h VAL 123 CO 0.02 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.95 3ipt n ASN 124 N -3.52 1.81 -4.87 4.19 4.13 0.38 -4.92 115.26 112.46 3ipt n ASN 124 Ca -0.02 -1.62 -0.34 0.00 1.68 0.00 0.00 54.58 54.29 3ipt n ASN 124 Cb 0.18 -0.02 -0.05 0.00 -1.54 0.00 0.00 39.78 38.34 3ipt n ASN 124 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3ipt s LEU 125 N -1.93 4.29 -0.07 3.41 0.20 -0.34 -1.71 118.68 122.53 3ipt s LEU 125 Ca 0.36 0.87 -0.03 0.00 0.69 0.00 0.00 54.13 56.02 3ipt s LEU 125 Cb 0.20 -3.26 0.04 0.00 -0.43 0.00 0.00 46.19 42.74 3ipt s LEU 125 CO 0.32 0.08 0.16 -0.44 -0.29 0.00 0.00 176.35 176.18 3ipt s SER 126 N -1.98 -0.14 0.26 3.68 0.01 0.19 -4.99 113.70 110.73 3ipt s SER 126 Ca 0.39 0.34 -0.30 0.00 1.31 0.00 0.00 55.95 57.69 3ipt s SER 126 Cb -0.13 0.23 -0.10 0.00 0.21 0.00 0.00 66.02 66.23 3ipt s SER 126 CO 0.20 -0.15 1.45 0.54 0.41 0.00 0.00 173.24 175.69 3ipt s VAL 127 N 1.15 2.57 0.00 3.43 0.11 -1.26 -1.29 120.40 125.11 3ipt s VAL 127 Ca -0.09 0.49 0.00 0.00 -2.93 0.00 0.00 61.98 59.45 3ipt s VAL 127 Cb -0.11 -3.31 0.00 0.00 -1.53 0.00 0.00 36.38 31.43 3ipt s VAL 127 CO -0.06 0.08 0.00 -1.14 -3.33 0.00 0.00 175.10 170.65