#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r03 n ARG 7 N 0.00 0.28 -0.00 -1.46 1.85 -1.26 -2.26 116.66 113.81 1r03 n ARG 7 Ca 0.00 0.11 0.09 0.00 -1.00 0.00 0.00 57.85 57.05 1r03 n ARG 7 Cb 0.00 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 29.79 1r03 n ARG 7 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1r03 n VAL 8 N -1.25 0.00 -2.00 8.89 0.24 -1.26 -4.98 118.33 117.96 1r03 n VAL 8 Ca 0.09 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.34 61.77 1r03 n VAL 8 Cb 0.12 0.67 -0.03 0.00 -1.47 0.00 0.00 33.84 33.14 1r03 n VAL 8 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1r03 s ARG 9 N -2.91 4.25 -0.27 7.34 3.52 -0.96 -4.77 118.95 125.16 1r03 s ARG 9 Ca 0.02 2.29 -0.13 0.00 -0.13 0.00 0.00 55.73 57.78 1r03 s ARG 9 Cb 0.13 -3.16 0.09 0.00 -1.56 0.00 0.00 34.95 30.46 1r03 s ARG 9 CO 0.75 -0.52 0.63 -1.14 -0.81 0.00 0.00 175.30 174.21 1r03 s GLN 10 N 0.65 0.61 -1.45 5.12 0.74 -1.26 -4.94 119.66 119.13 1r03 s GLN 10 Ca 0.66 1.23 -0.08 0.00 0.05 0.00 0.00 55.36 57.21 1r03 s GLN 10 Cb -0.42 0.34 0.04 0.00 1.10 0.00 0.00 33.01 34.08 1r03 s GLN 10 CO 0.35 -0.17 0.73 -1.71 -0.55 0.00 0.00 175.29 173.93 1r03 n ASN 11 N 4.71 -5.21 -4.02 6.67 5.15 -1.26 -4.94 115.26 116.35 1r03 n ASN 11 Ca -0.17 -0.45 -0.31 0.00 -0.60 0.00 0.00 54.58 53.05 1r03 n ASN 11 Cb 0.55 -4.21 -0.15 0.00 -0.53 0.00 0.00 39.78 35.44 1r03 n ASN 11 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1r03 s PHE 12 N -3.15 3.69 0.31 1.20 5.36 -1.26 -4.78 117.98 119.35 1r03 s PHE 12 Ca 0.44 -2.94 -0.29 0.00 -0.96 0.00 0.00 56.93 53.18 1r03 s PHE 12 Cb -0.21 -2.84 -0.10 0.00 -0.34 0.00 0.00 43.02 39.52 1r03 s PHE 12 CO 0.55 -0.94 1.22 -1.58 -1.46 0.00 0.00 175.22 173.01 1r03 s HIS 13 N 0.93 3.27 0.47 10.12 5.65 -1.26 -4.89 115.29 129.58 1r03 s HIS 13 Ca 0.10 1.53 0.19 0.00 0.25 0.00 0.00 55.06 57.12 1r03 s HIS 13 Cb -0.19 -3.52 1.18 0.00 -1.18 0.00 0.00 32.58 28.87 1r03 s HIS 13 CO -0.08 -1.32 1.96 -1.35 -0.65 0.00 0.00 174.74 173.29 1r03 h PRO 14 N 3.61 0.25 -0.44 2.88 0.11 -1.99 -0.04 132.00 136.39 1r03 h PRO 14 Ca -0.48 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 1r03 h PRO 14 Cb 1.22 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1r03 h PRO 14 CO 0.66 0.17 -0.07 -0.44 -0.21 0.00 0.00 178.00 178.11 1r03 h ASP 15 N 0.26 0.75 -0.30 -2.05 3.45 -1.99 -0.96 116.42 115.57 1r03 h ASP 15 Ca 0.31 -0.21 -0.07 0.00 0.43 0.00 0.00 57.03 57.49 1r03 h ASP 15 Cb 0.87 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.43 1r03 h ASP 15 CO -0.07 0.86 -0.10 0.28 -1.57 0.00 0.00 179.24 178.64 1r03 h SER 16 N 0.70 0.62 -0.26 6.45 0.02 -1.43 -0.02 113.55 119.63 1r03 h SER 16 Ca 0.13 -0.38 0.04 0.00 -0.84 0.00 0.00 61.79 60.74 1r03 h SER 16 Cb 0.54 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 1r03 h SER 16 CO 0.03 0.86 0.00 -0.08 -1.14 0.00 0.00 176.83 176.50 1r03 h GLU 17 N 0.37 0.08 -0.50 3.45 4.81 -1.00 0.24 114.58 122.04 1r03 h GLU 17 Ca 0.07 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1r03 h GLU 17 Cb 0.61 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1r03 h GLU 17 CO 0.04 0.05 0.26 0.00 -0.73 0.00 0.00 179.01 178.63 1r03 h ALA 18 N 1.22 0.64 -0.23 2.92 0.00 -1.05 -1.92 119.26 120.84 1r03 h ALA 18 Ca 0.12 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1r03 h ALA 18 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1r03 h ALA 18 CO -0.21 0.17 -0.10 0.00 0.00 0.00 0.00 179.25 179.12 1r03 h ALA 19 N 1.10 1.40 -0.48 0.00 0.00 -0.44 -1.32 119.26 119.53 1r03 h ALA 19 Ca 0.17 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1r03 h ALA 19 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1r03 h ALA 19 CO -0.03 0.41 -0.17 0.82 0.00 0.00 0.00 179.25 180.29 1r03 h ILE 20 N 0.36 1.27 -0.65 0.00 2.04 -0.67 0.35 117.51 120.20 1r03 h ILE 20 Ca 0.07 -1.32 -0.07 0.00 1.00 0.00 0.00 64.86 64.54 1r03 h ILE 20 Cb 0.40 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1r03 h ILE 20 CO 0.02 0.46 0.11 0.78 0.00 0.00 0.00 178.15 179.52 1r03 h ASN 21 N 0.83 1.02 -0.65 1.72 2.35 -0.65 0.98 115.58 121.18 1r03 h ASN 21 Ca 0.12 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.56 1r03 h ASN 21 Cb 0.73 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 1r03 h ASN 21 CO 0.06 1.00 0.11 0.03 -1.65 0.00 0.00 177.43 176.98 1r03 h ARG 22 N 1.00 1.08 -0.44 0.81 3.08 -0.95 -2.31 114.38 116.66 1r03 h ARG 22 Ca 0.20 -0.28 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 1r03 h ARG 22 Cb 0.42 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1r03 h ARG 22 CO 0.01 0.99 -0.13 0.37 -1.07 0.00 0.00 179.97 180.14 1r03 h GLN 23 N 1.01 0.80 -0.44 0.04 5.75 -0.39 -1.57 115.11 120.31 1r03 h GLN 23 Ca 0.20 -0.28 0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1r03 h GLN 23 Cb 0.43 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 1r03 h GLN 23 CO 0.01 0.88 0.24 0.82 -2.65 0.00 0.00 178.83 178.14 1r03 h ILE 24 N 0.72 1.02 -0.62 2.39 2.04 -0.58 -0.12 117.51 122.35 1r03 h ILE 24 Ca 0.12 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1r03 h ILE 24 Cb 0.62 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1r03 h ILE 24 CO 0.04 0.09 0.39 -1.13 0.00 0.00 0.00 178.15 177.54 1r03 h ASN 25 N 0.49 0.73 -0.81 1.72 -0.73 -0.93 -1.77 115.58 114.29 1r03 h ASN 25 Ca 0.18 -0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.28 1r03 h ASN 25 Cb 0.04 -0.18 -0.04 0.00 0.27 0.00 0.00 38.32 38.41 1r03 h ASN 25 CO -0.10 0.56 0.43 0.25 -0.37 0.00 0.00 177.43 178.20 1r03 h LEU 26 N 0.84 1.03 -0.77 0.34 5.85 -0.66 0.81 115.31 122.75 1r03 h LEU 26 Ca 0.22 -0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 1r03 h LEU 26 Cb -0.05 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 1r03 h LEU 26 CO -0.04 0.84 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.44 1r03 h GLU 27 N 1.15 0.80 -0.36 1.25 4.39 -0.68 0.54 114.58 121.67 1r03 h GLU 27 Ca 0.29 -0.28 -0.13 0.00 0.34 0.00 0.00 59.36 59.58 1r03 h GLU 27 Cb 0.05 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1r03 h GLU 27 CO -0.04 0.89 -0.31 -0.07 -1.16 0.00 0.00 179.01 178.31 1r03 h LEU 28 N 0.72 0.81 -0.33 1.33 3.38 -0.71 -1.12 115.31 119.39 1r03 h LEU 28 Ca 0.12 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1r03 h LEU 28 Cb 0.62 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1r03 h LEU 28 CO 0.04 1.06 0.16 0.22 0.09 0.00 0.00 178.44 180.01 1r03 h TYR 29 N 0.66 0.48 -0.98 1.13 5.03 -0.45 -0.94 116.97 121.89 1r03 h TYR 29 Ca 0.07 -0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.37 1r03 h TYR 29 Cb 0.84 -0.15 -0.05 0.00 1.55 0.00 0.00 36.73 38.93 1r03 h TYR 29 CO 0.04 0.41 0.63 0.00 -1.32 0.00 0.00 178.16 177.93 1r03 h ALA 30 N 1.02 1.28 -0.76 1.82 0.00 -0.59 0.39 119.26 122.42 1r03 h ALA 30 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1r03 h ALA 30 Cb 0.11 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1r03 h ALA 30 CO -0.01 0.66 0.48 1.03 0.00 0.00 0.00 179.25 181.40 1r03 h SER 31 N 1.33 0.89 -0.55 0.00 0.87 -0.79 -1.49 113.55 113.80 1r03 h SER 31 Ca 0.36 -0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.80 1r03 h SER 31 Cb -0.13 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.59 1r03 h SER 31 CO -0.07 0.67 0.05 0.22 -0.53 0.00 0.00 176.83 177.16 1r03 h TYR 32 N 1.03 1.01 -0.54 2.24 3.20 0.21 -0.19 116.97 123.93 1r03 h TYR 32 Ca 0.27 -0.16 0.01 0.00 3.14 0.00 0.00 58.73 62.00 1r03 h TYR 32 Cb -0.08 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 37.89 1r03 h TYR 32 CO -0.01 0.90 0.35 0.28 -1.64 0.00 0.00 178.16 178.04 1r03 h VAL 33 N 0.82 1.12 0.00 1.81 2.07 -0.72 -0.08 116.25 121.28 1r03 h VAL 33 Ca 0.16 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 1r03 h VAL 33 Cb 0.46 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1r03 h VAL 33 CO 0.02 0.13 -0.48 1.88 0.02 0.00 0.00 177.57 179.14 1r03 h TYR 34 N 0.71 0.00 -0.33 1.57 0.05 -0.94 -0.66 116.97 117.37 1r03 h TYR 34 Ca 0.20 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.90 1r03 h TYR 34 Cb -0.06 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1r03 h TYR 34 CO -0.04 0.48 -0.13 1.25 -1.05 0.00 0.00 178.16 178.67 1r03 h LEU 35 N 0.00 0.69 -0.38 3.88 5.85 -0.45 0.44 115.31 125.34 1r03 h LEU 35 Ca -0.00 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.34 1r03 h LEU 35 Cb 0.89 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1r03 h LEU 35 CO 0.06 0.93 0.22 -1.28 -0.34 0.00 0.00 178.44 178.02 1r03 h SER 36 N 0.45 0.34 -0.69 1.25 0.87 -0.72 -2.04 113.55 113.01 1r03 h SER 36 Ca 0.08 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1r03 h SER 36 Cb 0.65 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 1r03 h SER 36 CO 0.04 0.25 0.39 0.24 -0.53 0.00 0.00 176.83 177.22 1r03 h MET 37 N 0.44 0.95 -0.55 2.24 2.86 -0.83 -1.70 114.93 118.34 1r03 h MET 37 Ca 0.15 -0.10 0.08 0.00 -2.06 0.00 0.00 59.70 57.77 1r03 h MET 37 Cb 0.02 -0.19 -0.06 0.00 0.06 0.00 0.00 31.60 31.43 1r03 h MET 37 CO -0.08 0.70 0.20 0.00 1.06 0.00 0.00 176.91 178.78 1r03 h ALA 38 N 1.20 0.68 0.00 6.32 0.00 -0.33 -1.27 119.26 125.86 1r03 h ALA 38 Ca 0.24 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1r03 h ALA 38 Cb 0.01 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1r03 h ALA 38 CO -0.04 -0.20 0.00 0.66 0.00 0.00 0.00 179.25 179.67 1r03 n TYR 39 N -5.00 0.74 -0.10 0.00 4.02 -0.82 -2.53 117.16 113.47 1r03 n TYR 39 Ca 0.07 0.21 -0.14 0.00 -0.01 0.00 0.00 57.90 58.03 1r03 n TYR 39 Cb 0.23 -0.85 -0.03 0.00 -0.02 0.00 0.00 39.34 38.66 1r03 n TYR 39 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 1r03 h TYR 40 N 0.00 1.08 0.00 -0.72 3.20 -0.30 -3.14 116.97 117.09 1r03 h TYR 40 Ca 0.00 -0.35 0.00 0.00 3.14 0.00 0.00 58.73 61.52 1r03 h TYR 40 Cb 0.69 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1r03 h TYR 40 CO 0.00 1.17 0.00 1.19 -1.64 0.00 0.00 178.16 178.88 1r03 n PHE 41 N -4.07 0.00 -0.43 -3.82 3.72 -0.88 -1.98 117.46 110.01 1r03 n PHE 41 Ca -0.03 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.47 1r03 n PHE 41 Cb 0.57 -0.50 0.31 0.00 -0.94 0.00 0.00 39.48 38.93 1r03 n PHE 41 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1r03 n SER 42 N -1.50 4.06 -4.76 4.37 3.41 -1.19 -1.09 113.62 116.93 1r03 n SER 42 Ca 0.05 -2.14 -0.35 0.00 -0.26 0.00 0.00 58.87 56.16 1r03 n SER 42 Cb 0.23 -0.48 0.04 0.00 -0.26 0.00 0.00 64.21 63.73 1r03 n SER 42 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1r03 s ARG 43 N -1.27 2.91 0.53 4.33 0.52 -0.84 -4.70 118.95 120.43 1r03 s ARG 43 Ca 0.46 1.70 0.29 0.00 -0.52 0.00 0.00 55.73 57.67 1r03 s ARG 43 Cb 0.26 -1.93 1.49 0.00 0.52 0.00 0.00 34.95 35.28 1r03 s ARG 43 CO 0.28 -1.23 2.07 0.38 0.02 0.00 0.00 175.30 176.83 1r03 h ASP 44 N 0.65 0.00 -0.55 0.23 2.03 -1.92 0.23 116.42 117.09 1r03 h ASP 44 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 1r03 h ASP 44 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1r03 h ASP 44 CO 0.55 0.10 0.00 -0.90 -1.03 0.00 0.00 179.24 177.96 1r03 n ASP 45 N -3.52 5.30 0.12 4.15 3.85 -1.26 -4.40 116.55 120.80 1r03 n ASP 45 Ca -0.01 -2.81 0.00 0.00 -0.71 0.00 0.00 54.79 51.26 1r03 n ASP 45 Cb 0.24 -0.66 0.00 0.00 -1.35 0.00 0.00 41.12 39.35 1r03 n ASP 45 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 1r03 n VAL 46 N 0.65 0.34 -4.12 2.12 0.31 -0.84 -5.07 118.33 111.72 1r03 n VAL 46 Ca 0.26 0.11 -0.30 0.00 -0.01 0.00 0.00 64.34 64.40 1r03 n VAL 46 Cb 1.10 -0.81 -0.04 0.00 -0.91 0.00 0.00 33.84 33.18 1r03 n VAL 46 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r03 n ALA 47 N -3.46 -1.79 -3.52 3.52 0.00 0.74 -4.92 120.51 111.09 1r03 n ALA 47 Ca 0.00 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 1r03 n ALA 47 Cb 0.01 -1.91 -0.06 0.00 0.00 0.00 0.00 19.45 17.49 1r03 n ALA 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1r03 s LEU 48 N -7.14 6.00 0.48 0.00 1.43 -0.25 -4.95 118.68 114.26 1r03 s LEU 48 Ca 0.22 -2.69 0.21 0.00 -1.03 0.00 0.00 54.13 50.84 1r03 s LEU 48 Cb -0.12 -2.04 1.23 0.00 0.03 0.00 0.00 46.19 45.29 1r03 s LEU 48 CO 0.93 -0.50 2.03 0.78 0.23 0.00 0.00 176.35 179.82 1r03 h ASN 49 N 7.52 0.00 1.05 2.29 2.35 -1.92 -1.27 115.58 125.60 1r03 h ASN 49 Ca 0.02 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.59 1r03 h ASN 49 Cb 1.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.35 1r03 h ASN 49 CO 0.75 0.15 -0.99 0.78 -1.65 0.00 0.00 177.43 176.47 1r03 h ASN 50 N 0.00 0.00 -0.53 5.81 2.35 -1.89 -1.08 115.58 120.24 1r03 h ASN 50 Ca -0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1r03 h ASN 50 Cb 0.32 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1r03 h ASN 50 CO 0.02 0.79 -0.06 -0.26 -1.65 0.00 0.00 177.43 176.28 1r03 h PHE 51 N 0.00 1.07 -0.04 1.19 -1.00 -1.75 -0.11 116.94 116.30 1r03 h PHE 51 Ca -0.06 -0.21 0.01 0.00 2.81 0.00 0.00 57.97 60.52 1r03 h PHE 51 Cb 1.66 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 40.94 1r03 h PHE 51 CO 0.00 0.99 -0.01 1.03 -1.61 0.00 0.00 178.31 178.72 1r03 h SER 52 N 0.84 -0.03 -0.56 2.17 0.87 -1.06 -1.74 113.55 114.03 1r03 h SER 52 Ca 0.14 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.67 1r03 h SER 52 Cb 0.61 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 1r03 h SER 52 CO 0.04 -0.01 0.18 0.03 -0.53 0.00 0.00 176.83 176.54 1r03 h ARG 53 N 0.00 0.91 -0.00 2.24 3.08 -1.10 -0.73 114.38 118.78 1r03 h ARG 53 Ca 0.02 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 1r03 h ARG 53 Cb 0.03 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 1r03 h ARG 53 CO -0.04 0.79 0.00 -0.92 -1.07 0.00 0.00 179.97 178.73 1r03 h TYR 54 N 0.88 0.01 -0.11 3.04 3.20 -0.72 -0.89 116.97 122.38 1r03 h TYR 54 Ca 0.20 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.95 1r03 h TYR 54 Cb 0.27 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1r03 h TYR 54 CO 0.02 0.06 -0.45 0.74 -1.64 0.00 0.00 178.16 176.89 1r03 h PHE 55 N -0.05 0.30 -0.69 -3.82 0.05 -1.13 -1.36 116.94 110.24 1r03 h PHE 55 Ca 0.00 -0.09 -0.07 0.00 3.82 0.00 0.00 57.97 61.64 1r03 h PHE 55 Cb 0.06 -0.06 -0.03 0.00 2.00 0.00 0.00 35.95 37.92 1r03 h PHE 55 CO -0.06 0.66 0.16 1.25 -0.18 0.00 0.00 178.31 180.15 1r03 h LEU 56 N 0.21 1.04 -0.65 1.54 5.85 -0.87 0.15 115.31 122.57 1r03 h LEU 56 Ca 0.01 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 1r03 h LEU 56 Cb 0.88 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1r03 h LEU 56 CO 0.07 1.01 0.20 -0.74 -0.34 0.00 0.00 178.44 178.64 1r03 h HIS 57 N 1.03 1.06 -0.86 1.25 2.76 -0.86 -1.66 115.15 117.86 1r03 h HIS 57 Ca 0.21 -0.11 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1r03 h HIS 57 Cb 0.37 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 28.99 1r03 h HIS 57 CO 0.03 0.86 0.44 1.96 -1.30 0.00 0.00 177.93 179.91 1r03 h GLN 58 N 0.95 1.23 -0.59 5.26 1.08 -0.56 -1.32 115.11 121.16 1r03 h GLN 58 Ca 0.21 -0.17 0.03 0.00 -1.45 0.00 0.00 58.65 57.27 1r03 h GLN 58 Cb 0.30 -0.23 -0.04 0.00 -0.05 0.00 0.00 27.48 27.47 1r03 h GLN 58 CO -0.01 0.93 0.36 1.03 -0.95 0.00 0.00 178.83 180.20 1r03 h SER 59 N 1.22 0.59 0.20 1.46 0.87 -0.13 -1.30 113.55 116.47 1r03 h SER 59 Ca 0.30 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.78 1r03 h SER 59 Cb 0.09 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1r03 h SER 59 CO -0.04 0.42 -0.32 0.03 -0.53 0.00 0.00 176.83 176.38 1r03 h ARG 60 N 0.72 0.19 -0.40 2.24 3.08 -0.83 -2.22 114.38 117.15 1r03 h ARG 60 Ca 0.24 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 60.08 1r03 h ARG 60 Cb 0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1r03 h ARG 60 CO -0.10 0.50 -0.30 0.93 -1.07 0.00 0.00 179.97 179.93 1r03 h GLU 61 N 0.17 0.88 -0.65 0.04 5.08 -0.45 -2.52 114.58 117.14 1r03 h GLU 61 Ca 0.02 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 57.92 1r03 h GLU 61 Cb 0.66 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 1r03 h GLU 61 CO 0.05 1.06 0.22 0.93 -1.00 0.00 0.00 179.01 180.27 1r03 h GLU 62 N 0.74 0.97 -0.99 2.33 4.39 -0.79 -0.71 114.58 120.53 1r03 h GLU 62 Ca 0.08 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1r03 h GLU 62 Cb 0.87 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.31 1r03 h GLU 62 CO 0.08 0.82 0.63 1.15 -1.16 0.00 0.00 179.01 180.53 1r03 h THR 63 N 0.94 1.26 -0.73 1.13 2.02 -1.25 0.45 112.91 116.74 1r03 h THR 63 Ca 0.21 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 1r03 h THR 63 Cb 0.24 -0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.45 1r03 h THR 63 CO -0.01 0.26 0.33 -0.33 0.37 0.00 0.00 175.52 176.13 1r03 h GLU 64 N 1.35 1.06 -0.53 6.66 5.08 -0.83 -0.12 114.58 127.23 1r03 h GLU 64 Ca 0.36 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1r03 h GLU 64 Cb -0.12 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 28.92 1r03 h GLU 64 CO -0.07 0.83 0.19 0.45 -1.00 0.00 0.00 179.01 179.41 1r03 h HIS 65 N 1.04 0.83 -0.33 4.33 3.86 -0.02 -1.48 115.15 123.38 1r03 h HIS 65 Ca 0.25 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.36 1r03 h HIS 65 Cb 0.14 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1r03 h HIS 65 CO 0.01 0.69 0.11 0.00 0.86 0.00 0.00 177.93 179.61 1r03 h ALA 66 N 1.05 0.44 -0.76 2.45 0.00 -0.21 -2.87 119.26 119.35 1r03 h ALA 66 Ca 0.18 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1r03 h ALA 66 Cb 0.23 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1r03 h ALA 66 CO -0.01 0.07 0.51 0.93 0.00 0.00 0.00 179.25 180.74 1r03 h GLU 67 N 0.39 1.01 -0.43 0.00 5.08 -0.80 -1.09 114.58 118.73 1r03 h GLU 67 Ca 0.11 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1r03 h GLU 67 Cb 0.24 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1r03 h GLU 67 CO -0.00 0.67 0.01 -0.22 -1.00 0.00 0.00 179.01 178.46 1r03 h LYS 68 N 1.04 0.68 -0.20 2.33 3.64 -1.15 0.16 116.57 123.07 1r03 h LYS 68 Ca 0.28 -0.17 -0.17 0.00 -1.27 0.00 0.00 60.65 59.32 1r03 h LYS 68 Cb -0.12 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1r03 h LYS 68 CO -0.06 0.69 -0.58 -0.07 -2.27 0.00 0.00 179.45 177.17 1r03 h LEU 69 N 0.65 0.71 -0.67 5.20 3.38 -1.16 -0.43 115.31 122.98 1r03 h LEU 69 Ca 0.13 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 1r03 h LEU 69 Cb 0.39 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1r03 h LEU 69 CO 0.01 1.13 0.09 0.24 0.09 0.00 0.00 178.44 180.00 1r03 h MET 70 N 0.48 1.12 -0.62 1.13 2.86 -0.62 -0.34 114.93 118.93 1r03 h MET 70 Ca 0.00 -0.31 -0.08 0.00 -2.06 0.00 0.00 59.70 57.26 1r03 h MET 70 Cb 1.14 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.65 1r03 h MET 70 CO 0.11 1.03 0.08 -0.09 1.06 0.00 0.00 176.91 179.10 1r03 h ARG 71 N 1.04 1.04 -0.38 1.72 2.43 -0.55 -1.95 114.38 117.73 1r03 h ARG 71 Ca 0.20 -0.29 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1r03 h ARG 71 Cb 0.46 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1r03 h ARG 71 CO 0.02 0.98 0.21 1.25 -1.51 0.00 0.00 179.97 180.92 1r03 h LEU 72 N 0.95 0.34 -0.23 3.80 6.46 -0.61 0.20 115.31 126.21 1r03 h LEU 72 Ca 0.19 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 58.00 1r03 h LEU 72 Cb 0.45 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.27 1r03 h LEU 72 CO 0.02 0.25 -0.09 -0.61 -0.62 0.00 0.00 178.44 177.38 1r03 h GLN 73 N 0.44 -0.05 -0.76 1.25 5.75 -0.83 0.11 115.11 121.02 1r03 h GLN 73 Ca 0.15 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.60 1r03 h GLN 73 Cb 0.02 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 1r03 h GLN 73 CO -0.08 -0.03 0.26 -0.91 -2.65 0.00 0.00 178.83 175.42 1r03 h ASN 74 N -0.05 1.08 -0.70 -0.69 2.35 -0.76 0.20 115.58 117.01 1r03 h ASN 74 Ca 0.12 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1r03 h ASN 74 Cb 0.23 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1r03 h ASN 74 CO -0.27 0.99 0.39 1.56 -1.65 0.00 0.00 177.43 178.45 1r03 h GLN 75 N 1.12 0.99 -0.00 0.81 1.08 0.09 -2.40 115.11 116.80 1r03 h GLN 75 Ca 0.25 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1r03 h GLN 75 Cb 0.28 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1r03 h GLN 75 CO -0.01 0.73 -0.28 0.54 -0.95 0.00 0.00 178.83 178.86 1r03 n ARG 76 N -4.36 0.23 -0.36 1.46 5.12 -0.04 -4.92 116.66 113.79 1r03 n ARG 76 Ca 0.07 -0.10 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 1r03 n ARG 76 Cb 0.10 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 1r03 n ARG 76 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1r03 n GLY 77 N 1.44 0.81 3.91 -0.13 0.00 -0.72 -3.94 105.19 106.55 1r03 n GLY 77 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1r03 n GLY 77 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r03 s GLY 78 N -1.93 1.62 -0.15 -0.02 0.00 0.62 -4.74 107.32 102.72 1r03 s GLY 78 Ca 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 43.99 1r03 s GLY 78 CO 0.00 -0.24 -0.21 0.50 0.00 0.00 0.00 173.10 173.14 1r03 s ARG 79 N -5.56 2.98 0.14 2.90 1.81 -1.26 -4.31 118.95 115.66 1r03 s ARG 79 Ca 0.63 -0.84 -0.31 0.00 -1.72 0.00 0.00 55.73 53.49 1r03 s ARG 79 Cb -0.10 -2.44 -0.09 0.00 -0.45 0.00 0.00 34.95 31.86 1r03 s ARG 79 CO 0.49 -0.06 1.50 0.42 -0.68 0.00 0.00 175.30 176.96 1r03 s ILE 80 N 0.94 2.90 -0.27 1.52 1.01 -1.26 -4.98 121.20 121.06 1r03 s ILE 80 Ca -0.04 0.65 -0.00 0.00 0.00 0.00 0.00 60.65 61.25 1r03 s ILE 80 Cb -0.15 -3.41 0.08 0.00 0.01 0.00 0.00 42.46 38.99 1r03 s ILE 80 CO -0.05 0.05 0.03 -0.13 0.00 0.00 0.00 174.94 174.85 1r03 s ARG 81 N 1.13 1.07 0.44 2.79 0.52 -1.26 -5.12 118.95 118.52 1r03 s ARG 81 Ca 0.68 -1.01 -0.12 0.00 -0.52 0.00 0.00 55.73 54.76 1r03 s ARG 81 Cb -0.41 -2.34 -0.07 0.00 0.52 0.00 0.00 34.95 32.65 1r03 s ARG 81 CO 0.31 -0.79 0.83 -0.51 0.02 0.00 0.00 175.30 175.16 1r03 s LEU 82 N 1.51 3.77 0.22 2.53 1.43 -1.26 -4.87 118.68 122.01 1r03 s LEU 82 Ca 0.03 1.25 0.01 0.00 -1.03 0.00 0.00 54.13 54.39 1r03 s LEU 82 Cb -0.18 -4.15 -0.05 0.00 0.03 0.00 0.00 46.19 41.84 1r03 s LEU 82 CO -0.14 -0.46 0.05 -1.10 0.23 0.00 0.00 176.35 174.94 1r03 s GLN 83 N -3.92 1.26 0.46 1.70 -1.52 -1.26 -5.12 119.66 111.26 1r03 s GLN 83 Ca 0.53 -1.65 -0.23 0.00 -1.95 0.00 0.00 55.36 52.06 1r03 s GLN 83 Cb -0.10 -0.25 -0.09 0.00 -0.22 0.00 0.00 33.01 32.35 1r03 s GLN 83 CO 0.32 -0.22 1.08 -0.25 -0.25 0.00 0.00 175.29 175.97 1r03 n ASP 84 N -0.35 1.58 -4.51 5.90 10.43 -1.26 -4.93 116.55 123.40 1r03 n ASP 84 Ca -0.03 1.01 -0.42 0.00 2.57 0.00 0.00 54.79 57.92 1r03 n ASP 84 Cb 0.65 -1.41 -0.09 0.00 1.84 0.00 0.00 41.12 42.11 1r03 n ASP 84 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1r03 s ILE 85 N -1.30 5.12 0.46 0.53 1.01 -1.26 -5.04 121.20 120.72 1r03 s ILE 85 Ca 0.65 -0.16 -0.24 0.00 0.00 0.00 0.00 60.65 60.90 1r03 s ILE 85 Cb -0.51 -3.94 -0.07 0.00 0.01 0.00 0.00 42.46 37.94 1r03 s ILE 85 CO 0.55 -0.28 1.29 -0.54 0.00 0.00 0.00 174.94 175.96 1r03 s LYS 86 N 2.09 3.68 0.71 2.79 -0.14 -1.26 -4.98 119.74 122.62 1r03 s LYS 86 Ca 0.12 2.09 -0.13 0.00 -1.36 0.00 0.00 55.97 56.69 1r03 s LYS 86 Cb -0.17 -2.52 0.03 0.00 -1.68 0.00 0.00 37.83 33.48 1r03 s LYS 86 CO 0.13 -0.71 1.11 -1.59 -0.76 0.00 0.00 175.35 173.53 1r03 s LYS 87 N -2.55 2.51 0.85 1.68 -2.85 -1.26 -4.90 119.74 113.22 1r03 s LYS 87 Ca 0.63 1.35 -0.10 0.00 -1.00 0.00 0.00 55.97 56.84 1r03 s LYS 87 Cb -0.36 -1.92 0.10 0.00 -2.06 0.00 0.00 37.83 33.59 1r03 s LYS 87 CO 0.45 -1.47 1.12 -2.14 0.10 0.00 0.00 175.35 173.41 1r03 s PRO 88 N -4.37 1.59 0.55 1.78 0.02 -1.26 -4.91 135.00 128.40 1r03 s PRO 88 Ca 0.65 1.38 0.26 0.00 0.02 0.00 0.00 61.00 63.31 1r03 s PRO 88 Cb -0.20 -1.81 1.58 0.00 0.02 0.00 0.00 34.50 34.10 1r03 s PRO 88 CO 0.47 -2.18 2.18 0.93 -0.33 0.00 0.00 177.00 178.07 1r03 h GLU 89 N -1.51 0.00 -4.23 5.54 4.39 -2.00 -3.44 114.58 113.33 1r03 h GLU 89 Ca -0.43 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.10 1r03 h GLU 89 Cb 1.25 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.73 1r03 h GLU 89 CO 0.46 0.04 -0.69 -0.65 -1.16 0.00 0.00 179.01 177.01 1r03 s GLN 90 N -4.61 0.53 -0.08 2.33 -0.21 -1.26 -5.02 119.66 111.33 1r03 s GLN 90 Ca -0.04 -0.99 0.14 0.00 0.02 0.00 0.00 55.36 54.49 1r03 s GLN 90 Cb 0.15 0.08 -0.21 0.00 1.00 0.00 0.00 33.01 34.03 1r03 s GLN 90 CO 0.59 -0.06 0.20 -0.25 -2.12 0.00 0.00 175.29 173.64 1r03 n ASP 91 N 0.72 1.42 -4.35 5.90 8.00 -1.26 -4.83 116.55 122.15 1r03 n ASP 91 Ca -0.18 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 54.91 1r03 n ASP 91 Cb 0.58 1.29 -0.10 0.00 -0.02 0.00 0.00 41.12 42.88 1r03 n ASP 91 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1r03 s ASP 92 N -4.29 5.80 -0.00 -2.24 3.68 -1.26 -4.84 116.67 113.52 1r03 s ASP 92 Ca -0.06 -1.21 0.07 0.00 2.13 0.00 0.00 52.55 53.48 1r03 s ASP 92 Cb 0.07 -2.05 0.21 0.00 -1.45 0.00 0.00 42.92 39.70 1r03 s ASP 92 CO 0.62 -0.49 1.16 0.79 0.13 0.00 0.00 175.17 177.39 1r03 n TRP 93 N 5.02 0.33 0.00 -5.34 7.02 -1.26 -4.94 117.44 118.26 1r03 n TRP 93 Ca -0.11 -0.16 0.00 0.00 -1.02 0.00 0.00 57.50 56.21 1r03 n TRP 93 Cb 0.45 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.33 1r03 n TRP 93 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1r03 n GLU 94 N 0.19 0.00 -3.78 -0.99 1.02 -1.26 -3.74 120.64 112.09 1r03 n GLU 94 Ca 0.08 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.17 1r03 n GLU 94 Cb 0.21 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.61 1r03 n GLU 94 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1r03 s SER 95 N 0.00 -0.23 0.24 1.62 1.04 -1.26 -4.99 113.70 110.12 1r03 s SER 95 Ca 0.00 -0.46 -0.06 0.00 0.48 0.00 0.00 55.95 55.92 1r03 s SER 95 Cb 0.00 0.58 0.24 0.00 0.10 0.00 0.00 66.02 66.94 1r03 s SER 95 CO 0.00 -1.07 1.82 1.23 0.98 0.00 0.00 173.24 176.21 1r03 h GLY 96 N 2.00 1.23 0.82 7.32 0.00 -1.98 -0.67 103.07 111.79 1r03 h GLY 96 Ca -0.22 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.47 1r03 h GLY 96 CO 0.25 0.59 0.03 -2.00 0.00 0.00 0.00 176.54 175.41 1r03 h LEU 97 N 1.13 0.18 -0.80 3.11 5.85 -1.95 -1.49 115.31 121.35 1r03 h LEU 97 Ca 0.27 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1r03 h LEU 97 Cb 0.15 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1r03 h LEU 97 CO -0.03 0.37 0.51 -0.74 -0.34 0.00 0.00 178.44 178.22 1r03 h HIS 98 N -0.01 1.02 -0.81 1.25 2.76 -1.74 0.48 115.15 118.09 1r03 h HIS 98 Ca 0.04 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.18 1r03 h HIS 98 Cb 0.26 -0.34 -0.04 0.00 1.55 0.00 0.00 27.41 28.84 1r03 h HIS 98 CO 0.01 0.66 0.35 0.00 -1.30 0.00 0.00 177.93 177.65 1r03 h ALA 99 N 1.28 1.05 -0.64 5.26 0.00 -1.01 0.18 119.26 125.38 1r03 h ALA 99 Ca 0.29 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1r03 h ALA 99 Cb -0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 1r03 h ALA 99 CO -0.06 0.65 0.05 0.52 0.00 0.00 0.00 179.25 180.42 1r03 h MET 100 N 1.17 1.10 -0.59 0.00 2.07 -0.53 0.10 114.93 118.25 1r03 h MET 100 Ca 0.27 -0.32 -0.07 0.00 -2.07 0.00 0.00 59.70 57.51 1r03 h MET 100 Cb 0.18 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 29.77 1r03 h MET 100 CO -0.03 1.04 0.07 0.93 1.07 0.00 0.00 176.91 179.99 1r03 h GLU 101 N 1.01 0.97 -0.54 1.72 5.08 -0.40 -0.60 114.58 121.82 1r03 h GLU 101 Ca 0.19 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1r03 h GLU 101 Cb 0.51 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1r03 h GLU 101 CO 0.02 0.91 -0.06 0.00 -1.00 0.00 0.00 179.01 178.88 1r03 h ALA 103 N 1.04 0.98 -0.31 0.00 0.00 -0.61 0.47 119.26 120.82 1r03 h ALA 103 Ca 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1r03 h ALA 103 Cb 0.60 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1r03 h ALA 103 CO 0.04 0.67 0.16 1.25 0.00 0.00 0.00 179.25 181.37 1r03 h LEU 104 N 1.08 0.40 -0.45 0.00 5.85 -0.83 0.96 115.31 122.32 1r03 h LEU 104 Ca 0.23 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1r03 h LEU 104 Cb 0.34 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1r03 h LEU 104 CO -0.00 0.39 0.24 0.25 -0.34 0.00 0.00 178.44 178.98 1r03 h LEU 105 N 0.38 0.57 -0.43 2.25 5.85 -1.06 -1.09 115.31 121.78 1r03 h LEU 105 Ca 0.11 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1r03 h LEU 105 Cb 0.09 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1r03 h LEU 105 CO -0.02 0.50 0.18 0.25 -0.34 0.00 0.00 178.44 179.01 1r03 h LEU 106 N 0.59 0.23 -1.01 2.25 5.85 -0.52 -0.37 115.31 122.34 1r03 h LEU 106 Ca 0.16 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 1r03 h LEU 106 Cb 0.06 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1r03 h LEU 106 CO -0.02 0.17 -0.30 -0.33 -0.34 0.00 0.00 178.44 177.62 1r03 h GLU 107 N 0.37 0.35 -0.29 1.25 4.39 -0.49 -0.30 114.58 119.86 1r03 h GLU 107 Ca 0.19 -0.14 -0.14 0.00 0.34 0.00 0.00 59.36 59.62 1r03 h GLU 107 Cb 0.15 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1r03 h GLU 107 CO -0.17 0.62 -0.39 0.87 -1.16 0.00 0.00 179.01 178.77 1r03 h LYS 108 N 0.31 0.69 -0.45 2.33 1.57 -0.74 0.56 116.57 120.84 1r03 h LYS 108 Ca 0.04 -0.35 -0.10 0.00 -1.87 0.00 0.00 60.65 58.37 1r03 h LYS 108 Cb 0.68 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1r03 h LYS 108 CO 0.05 0.96 -0.10 -0.91 -0.57 0.00 0.00 179.45 178.88 1r03 h ASN 109 N 0.56 0.87 -0.43 0.86 -0.26 -0.61 0.13 115.58 116.70 1r03 h ASN 109 Ca 0.05 -0.36 -0.10 0.00 -0.56 0.00 0.00 56.30 55.33 1r03 h ASN 109 Cb 0.92 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.93 1r03 h ASN 109 CO 0.08 1.03 -0.11 0.58 -1.06 0.00 0.00 177.43 177.95 1r03 h VAL 110 N 0.70 1.26 -0.44 2.81 2.07 -0.94 -1.61 116.25 120.11 1r03 h VAL 110 Ca 0.11 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 1r03 h VAL 110 Cb 0.64 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1r03 h VAL 110 CO 0.04 0.42 0.16 -1.13 0.02 0.00 0.00 177.57 177.09 1r03 h ASN 111 N 0.80 0.62 -0.69 0.57 -1.24 -0.64 -0.04 115.58 114.97 1r03 h ASN 111 Ca 0.13 -0.18 0.06 0.00 0.71 0.00 0.00 56.30 57.02 1r03 h ASN 111 Cb 0.63 -0.16 -0.06 0.00 0.73 0.00 0.00 38.32 39.47 1r03 h ASN 111 CO 0.04 0.63 0.39 -0.61 -1.29 0.00 0.00 177.43 176.60 1r03 h GLN 112 N 0.57 0.69 -0.61 6.67 5.75 -0.65 0.11 115.11 127.65 1r03 h GLN 112 Ca 0.15 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1r03 h GLN 112 Cb 0.22 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 1r03 h GLN 112 CO -0.01 0.46 0.36 1.03 -2.65 0.00 0.00 178.83 178.02 1r03 h SER 113 N 0.72 0.74 -0.34 -0.69 0.87 -0.78 -0.43 113.55 113.64 1r03 h SER 113 Ca 0.31 -0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.72 1r03 h SER 113 Cb 0.19 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1r03 h SER 113 CO -0.18 0.59 -0.04 -0.07 -0.53 0.00 0.00 176.83 176.60 1r03 h LEU 114 N 0.82 0.70 -0.57 2.23 3.38 -0.22 -0.05 115.31 121.61 1r03 h LEU 114 Ca 0.22 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1r03 h LEU 114 Cb -0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1r03 h LEU 114 CO -0.04 0.79 -0.25 -0.07 0.09 0.00 0.00 178.44 178.96 1r03 h LEU 115 N 0.67 0.90 -0.83 1.67 3.38 -0.36 -0.28 115.31 120.47 1r03 h LEU 115 Ca 0.13 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1r03 h LEU 115 Cb 0.47 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1r03 h LEU 115 CO 0.02 1.11 -0.01 -0.33 0.09 0.00 0.00 178.44 179.32 1r03 h GLU 116 N 0.75 0.87 -0.63 1.13 5.08 -0.74 -0.51 114.58 120.52 1r03 h GLU 116 Ca 0.09 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1r03 h GLU 116 Cb 0.80 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1r03 h GLU 116 CO 0.07 0.87 0.16 1.25 -1.00 0.00 0.00 179.01 180.36 1r03 h LEU 117 N 0.80 0.93 -0.47 1.33 6.46 -0.62 -0.77 115.31 122.97 1r03 h LEU 117 Ca 0.15 -0.18 -0.11 0.00 -0.12 0.00 0.00 57.88 57.62 1r03 h LEU 117 Cb 0.49 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 1r03 h LEU 117 CO 0.02 0.89 -0.13 -0.74 -0.62 0.00 0.00 178.44 177.86 1r03 h HIS 118 N 0.95 1.04 -0.84 1.25 2.76 -0.63 0.32 115.15 119.99 1r03 h HIS 118 Ca 0.20 -0.23 -0.04 0.00 -2.20 0.00 0.00 60.37 58.11 1r03 h HIS 118 Cb 0.32 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 29.00 1r03 h HIS 118 CO 0.02 1.01 0.39 0.00 -1.30 0.00 0.00 177.93 178.05 1r03 h ALA 119 N 0.87 1.09 -0.22 5.26 0.00 -0.71 0.21 119.26 125.76 1r03 h ALA 119 Ca 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1r03 h ALA 119 Cb 0.69 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1r03 h ALA 119 CO 0.05 0.67 0.07 1.25 0.00 0.00 0.00 179.25 181.29 1r03 h LEU 120 N 1.21 0.33 -1.11 0.00 5.85 -0.82 0.73 115.31 121.50 1r03 h LEU 120 Ca 0.29 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1r03 h LEU 120 Cb 0.15 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1r03 h LEU 120 CO -0.03 0.45 0.56 0.00 -0.34 0.00 0.00 178.44 179.08 1r03 h ALA 121 N 0.89 1.35 -0.21 1.25 0.00 -0.45 0.12 119.26 122.21 1r03 h ALA 121 Ca 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1r03 h ALA 121 Cb 0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1r03 h ALA 121 CO -0.00 0.59 0.03 0.77 0.00 0.00 0.00 179.25 180.64 1r03 h SER 122 N 1.19 0.34 -0.45 0.00 0.02 -0.31 0.24 113.55 114.57 1r03 h SER 122 Ca 0.32 -0.26 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1r03 h SER 122 Cb -0.11 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1r03 h SER 122 CO -0.07 0.51 0.30 0.44 -1.14 0.00 0.00 176.83 176.88 1r03 h ASP 123 N 0.15 0.41 -0.19 3.07 3.32 -0.15 -1.17 116.42 121.85 1r03 h ASP 123 Ca 0.06 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1r03 h ASP 123 Cb 0.32 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1r03 h ASP 123 CO 0.00 0.28 0.00 0.29 -1.72 0.00 0.00 179.24 178.10 1r03 n LYS 124 N -4.48 1.74 -3.52 3.56 4.76 -0.04 -4.94 118.16 115.25 1r03 n LYS 124 Ca 0.05 -1.12 -0.19 0.00 -2.87 0.00 0.00 58.31 54.18 1r03 n LYS 124 Cb 0.16 -1.38 0.07 0.00 -1.84 0.00 0.00 35.03 32.05 1r03 n LYS 124 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1r03 n GLY 125 N 1.12 -0.35 3.06 0.72 0.00 -0.44 -4.94 105.19 104.35 1r03 n GLY 125 Ca 0.15 0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 1r03 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r03 s ASP 126 N -4.28 5.58 0.44 1.61 -1.08 0.01 -4.92 116.67 114.03 1r03 s ASP 126 Ca 0.05 -3.60 0.13 0.00 -0.52 0.00 0.00 52.55 48.61 1r03 s ASP 126 Cb -0.02 -1.83 0.99 0.00 -1.46 0.00 0.00 42.92 40.60 1r03 s ASP 126 CO 0.75 -0.19 2.00 1.55 0.52 0.00 0.00 175.17 179.81 1r03 h PRO 127 N 6.04 0.06 -0.51 4.34 0.13 -1.93 -1.66 132.00 138.47 1r03 h PRO 127 Ca 0.12 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 1r03 h PRO 127 Cb 0.82 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 1r03 h PRO 127 CO 0.80 0.20 0.22 1.25 -0.23 0.00 0.00 178.00 180.23 1r03 h HIS 128 N 0.06 0.77 -0.41 1.56 -0.00 -1.97 0.62 115.15 115.79 1r03 h HIS 128 Ca 0.01 -0.05 -0.10 0.00 -0.00 0.00 0.00 60.37 60.22 1r03 h HIS 128 Cb 0.27 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 1r03 h HIS 128 CO 0.00 0.63 -0.15 1.25 -0.00 0.00 0.00 177.93 179.66 1r03 h LEU 129 N 0.69 0.85 -0.14 0.26 5.85 -1.84 -0.08 115.31 120.89 1r03 h LEU 129 Ca 0.17 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.53 1r03 h LEU 129 Cb 0.18 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1r03 h LEU 129 CO -0.02 1.04 -0.03 0.00 -0.34 0.00 0.00 178.44 179.09 1r03 h ASP 131 N 0.00 0.90 -0.45 0.00 3.58 -0.72 -1.06 116.42 118.67 1r03 h ASP 131 Ca 0.07 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1r03 h ASP 131 Cb 0.10 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 1r03 h ASP 131 CO -0.14 0.77 0.29 0.15 -2.88 0.00 0.00 179.24 177.43 1r03 h PHE 132 N 0.98 0.57 -0.23 0.28 3.04 -0.33 0.13 116.94 121.38 1r03 h PHE 132 Ca 0.24 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.17 1r03 h PHE 132 Cb 0.13 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.44 1r03 h PHE 132 CO 0.01 0.38 0.07 -0.07 -2.02 0.00 0.00 178.31 176.67 1r03 h LEU 133 N 0.60 0.34 -0.27 0.59 3.38 -0.79 -1.45 115.31 117.70 1r03 h LEU 133 Ca 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1r03 h LEU 133 Cb -0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1r03 h LEU 133 CO -0.03 0.46 0.13 -0.33 0.09 0.00 0.00 178.44 178.76 1r03 h GLU 134 N 0.19 0.39 -0.47 1.13 5.08 -1.03 0.12 114.58 119.99 1r03 h GLU 134 Ca 0.07 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1r03 h GLU 134 Cb 0.25 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1r03 h GLU 134 CO -0.00 0.38 0.23 1.15 -1.00 0.00 0.00 179.01 179.77 1r03 h THR 135 N 0.31 1.19 0.00 1.13 2.02 -0.61 -3.33 112.91 113.62 1r03 h THR 135 Ca 0.09 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1r03 h THR 135 Cb 0.12 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1r03 h THR 135 CO -0.01 0.21 -1.06 -1.22 0.37 0.00 0.00 175.52 173.81 1r03 n TYR 136 N -4.63 0.00 -0.02 3.16 4.02 -0.56 -4.87 117.16 114.26 1r03 n TYR 136 Ca 0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.86 1r03 n TYR 136 Cb 0.11 -0.14 -0.02 0.00 -0.02 0.00 0.00 39.34 39.28 1r03 n TYR 136 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1r03 n TYR 137 N -1.60 0.00 -0.15 -0.72 4.02 0.24 -4.59 117.16 114.37 1r03 n TYR 137 Ca -0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.81 1r03 n TYR 137 Cb 0.25 -0.16 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 1r03 n TYR 137 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1r03 h LEU 138 N -0.15 0.54 -0.56 7.72 3.38 -1.17 -0.03 115.31 125.05 1r03 h LEU 138 Ca -0.11 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 1r03 h LEU 138 Cb 1.10 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1r03 h LEU 138 CO -0.06 0.48 -0.60 -1.13 0.09 0.00 0.00 178.44 177.22 1r03 h ASN 139 N 0.57 0.00 -0.62 -0.43 -1.24 -1.84 -1.74 115.58 110.28 1r03 h ASN 139 Ca 0.15 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.13 1r03 h ASN 139 Cb 0.06 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 1r03 h ASN 139 CO -0.02 0.60 0.27 -0.08 -1.29 0.00 0.00 177.43 176.90 1r03 h GLU 140 N 0.00 0.91 -0.34 6.67 4.22 -1.67 -0.35 114.58 124.03 1r03 h GLU 140 Ca -0.01 -0.15 -0.03 0.00 0.08 0.00 0.00 59.36 59.25 1r03 h GLU 140 Cb 1.21 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1r03 h GLU 140 CO 0.08 0.76 0.08 1.96 -2.18 0.00 0.00 179.01 179.71 1r03 h GLN 141 N 0.86 0.55 -0.76 1.92 1.08 -0.79 -1.06 115.11 116.91 1r03 h GLN 141 Ca 0.21 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1r03 h GLN 141 Cb 0.17 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.49 1r03 h GLN 141 CO -0.02 0.60 0.49 0.28 -0.95 0.00 0.00 178.83 179.23 1r03 h VAL 142 N 0.40 1.21 -0.52 -0.54 2.07 -0.95 0.81 116.25 118.72 1r03 h VAL 142 Ca 0.11 -0.41 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 1r03 h VAL 142 Cb 0.30 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1r03 h VAL 142 CO 0.00 0.21 -0.03 0.11 0.02 0.00 0.00 177.57 177.88 1r03 h LYS 143 N 1.04 0.89 -0.31 1.57 1.57 -0.87 -0.87 116.57 119.59 1r03 h LYS 143 Ca 0.28 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1r03 h LYS 143 Cb -0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1r03 h LYS 143 CO -0.06 0.91 -0.08 1.03 -0.57 0.00 0.00 179.45 180.68 1r03 h SER 144 N 0.82 0.60 -0.62 0.86 0.87 -0.63 -0.54 113.55 114.91 1r03 h SER 144 Ca 0.15 -0.37 -0.04 0.00 -1.23 0.00 0.00 61.79 60.30 1r03 h SER 144 Cb 0.53 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 1r03 h SER 144 CO 0.03 0.83 0.22 0.40 -0.53 0.00 0.00 176.83 177.78 1r03 h ILE 145 N 0.37 1.24 -0.39 2.23 2.04 -0.74 -0.43 117.51 121.83 1r03 h ILE 145 Ca 0.08 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 1r03 h ILE 145 Cb 0.57 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1r03 h ILE 145 CO 0.03 0.30 0.13 0.50 0.00 0.00 0.00 178.15 179.11 1r03 h LYS 146 N 0.88 0.61 -0.32 2.37 1.63 -1.00 0.29 116.57 121.04 1r03 h LYS 146 Ca 0.20 -0.13 0.01 0.00 -0.85 0.00 0.00 60.65 59.88 1r03 h LYS 146 Cb 0.25 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 1r03 h LYS 146 CO -0.01 0.61 0.20 1.49 -3.45 0.00 0.00 179.45 178.29 1r03 h GLU 147 N 0.49 0.40 -0.74 1.90 4.81 -0.83 0.24 114.58 120.86 1r03 h GLU 147 Ca 0.13 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1r03 h GLU 147 Cb 0.25 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1r03 h GLU 147 CO -0.00 0.27 0.27 -0.07 -0.73 0.00 0.00 179.01 178.75 1r03 h LEU 148 N 0.42 1.02 -0.51 1.64 3.38 -0.93 -0.84 115.31 119.49 1r03 h LEU 148 Ca 0.12 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1r03 h LEU 148 Cb -0.04 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1r03 h LEU 148 CO -0.03 0.92 0.33 1.23 0.09 0.00 0.00 178.44 180.98 1r03 h GLY 149 N 1.12 0.72 0.63 0.83 0.00 -0.46 0.13 103.07 106.04 1r03 h GLY 149 Ca 0.24 -0.27 0.06 0.00 0.00 0.00 0.00 47.33 47.36 1r03 h GLY 149 CO -0.02 0.27 0.25 -0.55 0.00 0.00 0.00 176.54 176.50 1r03 h ASP 150 N 0.69 0.34 -0.28 0.19 3.32 -0.32 0.24 116.42 120.59 1r03 h ASP 150 Ca 0.19 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1r03 h ASP 150 Cb -0.07 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1r03 h ASP 150 CO -0.04 0.23 0.07 0.45 -1.72 0.00 0.00 179.24 178.23 1r03 h HIS 151 N 0.49 0.48 -0.15 4.55 3.86 -0.65 -1.23 115.15 122.49 1r03 h HIS 151 Ca 0.25 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.42 1r03 h HIS 151 Cb 0.20 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1r03 h HIS 151 CO -0.12 0.52 0.04 0.28 0.86 0.00 0.00 177.93 179.52 1r03 h VAL 152 N 0.29 0.95 -0.20 2.45 2.07 -0.46 -0.38 116.25 120.98 1r03 h VAL 152 Ca 0.09 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.62 1r03 h VAL 152 Cb 0.28 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 1r03 h VAL 152 CO 0.00 0.02 -0.12 -0.74 0.02 0.00 0.00 177.57 176.75 1r03 h HIS 153 N 0.11 -0.30 -0.72 1.57 6.17 -0.75 0.47 115.15 121.71 1r03 h HIS 153 Ca 0.07 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.16 1r03 h HIS 153 Cb 0.05 0.16 -0.03 0.00 2.52 0.00 0.00 27.41 30.11 1r03 h HIS 153 CO -0.12 -0.18 0.40 -0.91 0.71 0.00 0.00 177.93 177.82 1r03 h ASN 154 N -0.11 0.90 -0.74 3.26 2.35 -0.97 0.08 115.58 120.34 1r03 h ASN 154 Ca 0.11 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 1r03 h ASN 154 Cb 0.28 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1r03 h ASN 154 CO -0.27 0.73 0.26 -0.07 -1.65 0.00 0.00 177.43 176.44 1r03 h LEU 155 N 0.99 1.05 -0.24 1.61 3.38 -0.66 0.65 115.31 122.09 1r03 h LEU 155 Ca 0.25 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1r03 h LEU 155 Cb 0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1r03 h LEU 155 CO -0.04 0.96 0.05 0.58 0.09 0.00 0.00 178.44 180.08 1r03 h VAL 156 N 1.08 1.22 -0.89 1.22 2.07 -0.48 -0.54 116.25 119.93 1r03 h VAL 156 Ca 0.24 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1r03 h VAL 156 Cb 0.27 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1r03 h VAL 156 CO -0.01 0.23 0.52 0.50 0.02 0.00 0.00 177.57 178.83 1r03 h LYS 157 N 0.21 1.23 0.00 1.57 1.63 -0.79 -1.45 116.57 118.97 1r03 h LYS 157 Ca 0.07 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1r03 h LYS 157 Cb 0.31 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1r03 h LYS 157 CO 0.00 0.88 0.00 -1.33 -3.45 0.00 0.00 179.45 175.55 1r03 n MET 158 N -4.35 0.14 -0.01 1.90 2.81 0.20 -4.87 117.12 112.95 1r03 n MET 158 Ca 0.10 0.39 0.00 0.00 -1.81 0.00 0.00 57.70 56.38 1r03 n MET 158 Cb 0.08 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 30.81 1r03 n MET 158 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1r03 n GLY 159 N -0.09 0.95 3.74 3.03 0.00 -0.55 -4.63 105.19 107.64 1r03 n GLY 159 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1r03 n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r03 s ALA 160 N -2.00 2.37 -0.69 4.61 0.00 -0.24 -1.19 121.76 124.61 1r03 s ALA 160 Ca 0.00 0.93 0.24 0.00 0.00 0.00 0.00 51.96 53.13 1r03 s ALA 160 Cb 0.00 -3.45 0.27 0.00 0.00 0.00 0.00 23.12 19.94 1r03 s ALA 160 CO 0.00 -1.47 1.24 -0.35 0.00 0.00 0.00 175.76 175.18 1r03 n PRO 161 N -2.11 0.24 0.08 0.00 -0.04 -1.26 -4.68 135.00 127.23 1r03 n PRO 161 Ca 0.13 0.04 -0.03 0.00 -0.04 0.00 0.00 63.50 63.61 1r03 n PRO 161 Cb 0.50 -1.62 0.20 0.00 -0.04 0.00 0.00 33.50 32.54 1r03 n PRO 161 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1r03 h ASP 162 N 0.00 0.30 -3.10 3.54 3.32 -1.95 -3.42 116.42 115.11 1r03 h ASP 162 Ca 0.00 -0.13 -0.57 0.00 0.02 0.00 0.00 57.03 56.35 1r03 h ASP 162 Cb 0.70 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.12 1r03 h ASP 162 CO 0.00 0.69 1.01 0.00 -1.72 0.00 0.00 179.24 179.22 1r03 s ALA 163 N -4.14 3.30 0.54 3.45 0.00 -0.34 -4.88 121.76 119.69 1r03 s ALA 163 Ca -0.05 0.12 0.30 0.00 0.00 0.00 0.00 51.96 52.33 1r03 s ALA 163 Cb 0.13 -3.81 1.46 0.00 0.00 0.00 0.00 23.12 20.90 1r03 s ALA 163 CO 0.78 -1.89 1.92 0.78 0.00 0.00 0.00 175.76 177.35 1r03 h GLY 164 N 11.20 0.00 1.00 0.00 0.00 -1.90 -1.76 103.07 111.62 1r03 h GLY 164 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1r03 h GLY 164 CO 1.04 0.00 -0.83 1.41 0.00 0.00 0.00 176.54 178.16 1r03 h LEU 165 N 0.00 0.00 0.41 3.11 3.38 -1.94 -3.41 115.31 116.86 1r03 h LEU 165 Ca 0.37 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1r03 h LEU 165 Cb 1.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1r03 h LEU 165 CO -0.00 0.09 -0.33 0.00 0.09 0.00 0.00 178.44 178.29 1r03 h ALA 166 N 2.35 -1.07 -0.55 1.53 0.00 -1.57 0.14 119.26 120.08 1r03 h ALA 166 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1r03 h ALA 166 Cb 0.83 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1r03 h ALA 166 CO 0.00 -1.07 0.15 0.93 0.00 0.00 0.00 179.25 179.26 1r03 h GLU 167 N -0.71 0.84 -0.35 0.00 5.08 -1.81 0.08 114.58 117.71 1r03 h GLU 167 Ca -0.05 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1r03 h GLU 167 Cb 0.59 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1r03 h GLU 167 CO 0.01 0.74 0.21 -0.92 -1.00 0.00 0.00 179.01 178.05 1r03 h TYR 168 N 0.81 0.40 -0.28 4.33 5.03 -1.76 0.11 116.97 125.63 1r03 h TYR 168 Ca 0.18 0.01 -0.17 0.00 2.58 0.00 0.00 58.73 61.34 1r03 h TYR 168 Cb 0.27 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.42 1r03 h TYR 168 CO 0.02 0.25 -0.49 -0.07 -1.32 0.00 0.00 178.16 176.54 1r03 h LEU 169 N 0.44 0.84 -0.68 2.82 3.38 -0.60 -1.84 115.31 119.67 1r03 h LEU 169 Ca 0.13 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 1r03 h LEU 169 Cb -0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1r03 h LEU 169 CO -0.05 1.19 0.18 0.15 0.09 0.00 0.00 178.44 180.00 1r03 h PHE 170 N 0.60 1.12 -0.37 1.13 3.57 -0.76 0.13 116.94 122.36 1r03 h PHE 170 Ca 0.03 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.40 1r03 h PHE 170 Cb 1.07 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1r03 h PHE 170 CO 0.06 0.91 0.22 0.22 -2.23 0.00 0.00 178.31 177.49 1r03 h ASP 171 N 1.00 0.44 -0.28 0.41 3.58 -0.67 -1.09 116.42 119.82 1r03 h ASP 171 Ca 0.21 -0.05 -0.17 0.00 0.42 0.00 0.00 57.03 57.44 1r03 h ASP 171 Cb 0.34 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1r03 h ASP 171 CO -0.00 0.36 -0.50 0.71 -2.88 0.00 0.00 179.24 176.93 1r03 h THR 172 N 0.48 1.28 0.00 2.25 1.35 -1.01 -2.20 112.91 115.07 1r03 h THR 172 Ca 0.13 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 1r03 h THR 172 Cb -0.00 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1r03 h THR 172 CO -0.03 0.55 -0.61 1.41 -0.25 0.00 0.00 175.52 176.59 1r03 n HIS 173 N -4.07 0.73 -0.05 4.73 8.25 0.42 -3.50 115.22 121.73 1r03 n HIS 173 Ca -0.05 0.32 -0.13 0.00 -0.26 0.00 0.00 57.72 57.60 1r03 n HIS 173 Cb 0.60 -0.71 -0.08 0.00 1.12 0.00 0.00 29.99 30.92 1r03 n HIS 173 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1r03 h THR 174 N -0.99 1.36 -0.00 1.59 2.02 -1.41 -3.23 112.91 112.25 1r03 h THR 174 Ca 0.00 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.85 1r03 h THR 174 Cb 0.61 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1r03 h THR 174 CO 0.00 0.39 -0.24 0.18 0.37 0.00 0.00 175.52 176.22 1r03 n LEU 175 N -4.58 0.63 0.00 2.58 4.77 -0.79 -5.05 117.00 114.56 1r03 n LEU 175 Ca -0.07 -0.05 0.11 0.00 -0.03 0.00 0.00 56.01 55.98 1r03 n LEU 175 Cb 0.36 -0.20 0.68 0.00 -2.33 0.00 0.00 43.42 41.93 1r03 n LEU 175 CO 0.39 0.13 0.87 0.61 -1.33 0.00 0.00 177.39 178.05