#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1or6 s ALA 12 N 0.00 2.81 -0.01 6.98 0.00 -1.26 -4.98 121.76 125.29 1or6 s ALA 12 Ca 0.00 -2.07 -0.01 0.00 0.00 0.00 0.00 51.96 49.88 1or6 s ALA 12 Cb 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.17 1or6 s ALA 12 CO 0.00 0.01 -0.02 0.98 0.00 0.00 0.00 175.76 176.73 1or6 n TYR 13 N -0.76 0.02 -0.94 0.00 4.19 -1.26 -5.00 117.16 113.41 1or6 n TYR 13 Ca -0.05 0.01 -0.29 0.00 3.31 0.00 0.00 57.90 60.88 1or6 n TYR 13 Cb 0.64 -0.11 0.23 0.00 0.49 0.00 0.00 39.34 40.59 1or6 n TYR 13 CO 0.00 0.00 0.00 -0.06 0.91 0.00 0.00 176.86 177.71 1or6 s PHE 14 N -1.13 1.10 -0.27 2.98 0.40 -1.26 -5.02 117.98 114.78 1or6 s PHE 14 Ca -0.02 0.79 0.03 0.00 -0.60 0.00 0.00 56.93 57.13 1or6 s PHE 14 Cb 0.00 -3.26 0.07 0.00 0.51 0.00 0.00 43.02 40.34 1or6 s PHE 14 CO 0.03 -3.68 -0.08 -1.12 0.70 0.00 0.00 175.22 171.07 1or6 s SER 15 N -3.42 4.48 -0.81 1.36 0.01 -1.26 -5.06 113.70 109.01 1or6 s SER 15 Ca 0.68 -1.51 -0.25 0.00 1.31 0.00 0.00 55.95 56.18 1or6 s SER 15 Cb -0.16 -1.55 -0.03 0.00 0.21 0.00 0.00 66.02 64.50 1or6 s SER 15 CO 0.58 -0.22 1.84 1.51 0.41 0.00 0.00 173.24 177.36 1or6 s ASP 16 N 1.08 5.36 -0.31 2.44 3.84 -1.26 -4.91 116.67 122.91 1or6 s ASP 16 Ca -0.06 -0.40 0.01 0.00 -0.00 0.00 0.00 52.55 52.10 1or6 s ASP 16 Cb -0.20 -2.55 0.09 0.00 -1.38 0.00 0.00 42.92 38.89 1or6 s ASP 16 CO -0.06 -2.46 0.07 -0.55 -0.00 0.00 0.00 175.17 172.17 1or6 s SER 17 N 7.54 4.19 0.38 2.11 0.15 -1.26 -5.11 113.70 121.70 1or6 s SER 17 Ca 0.65 -1.71 -0.27 0.00 0.70 0.00 0.00 55.95 55.32 1or6 s SER 17 Cb -0.08 -1.11 -0.09 0.00 -1.71 0.00 0.00 66.02 63.03 1or6 s SER 17 CO 0.06 -0.38 1.25 0.21 1.20 0.00 0.00 173.24 175.58 1or6 s ASN 18 N 1.40 6.54 0.00 5.45 3.84 -1.26 -2.75 114.94 128.16 1or6 s ASN 18 Ca 0.08 2.54 0.00 0.00 0.21 0.00 0.00 52.86 55.69 1or6 s ASN 18 Cb -0.18 -2.63 0.00 0.00 -0.55 0.00 0.00 41.25 37.89 1or6 s ASN 18 CO -0.18 -0.68 0.00 0.61 -2.79 0.00 0.00 177.10 174.06 1or6 n GLY 19 N 0.73 2.51 0.66 1.21 0.00 -1.26 -4.72 105.19 104.31 1or6 n GLY 19 Ca 0.03 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.87 1or6 n GLY 19 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1or6 n GLN 20 N 0.00 1.51 0.00 1.61 -0.06 -1.11 -3.05 117.38 116.28 1or6 n GLN 20 Ca 0.00 -0.42 0.00 0.00 -2.00 0.00 0.00 57.00 54.58 1or6 n GLN 20 Cb 0.00 -1.58 0.00 0.00 -4.06 0.00 0.00 30.24 24.60 1or6 n GLN 20 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1or6 n GLN 21 N 0.07 1.22 -0.92 3.69 10.64 -1.26 -4.93 117.38 125.89 1or6 n GLN 21 Ca 0.04 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.86 1or6 n GLN 21 Cb 0.36 -0.95 0.08 0.00 -0.86 0.00 0.00 30.24 28.87 1or6 n GLN 21 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1or6 n LYS 22 N -2.22 -0.13 -4.04 2.61 4.76 -1.17 -3.63 118.16 114.33 1or6 n LYS 22 Ca 0.00 -0.01 -0.29 0.00 -2.87 0.00 0.00 58.31 55.14 1or6 n LYS 22 Cb 0.45 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 32.15 1or6 n LYS 22 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1or6 n ASN 23 N 0.90 -1.14 -0.00 4.39 3.02 -1.26 -4.86 115.26 116.30 1or6 n ASN 23 Ca 0.03 -1.01 0.11 0.00 -0.03 0.00 0.00 54.58 53.67 1or6 n ASN 23 Cb 0.54 -2.93 -0.15 0.00 -0.61 0.00 0.00 39.78 36.63 1or6 n ASN 23 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1or6 n ARG 24 N -4.42 0.49 -3.71 3.52 1.74 -1.24 -4.80 116.66 108.24 1or6 n ARG 24 Ca -0.20 -0.14 -0.37 0.00 -0.77 0.00 0.00 57.85 56.37 1or6 n ARG 24 Cb 0.63 -1.53 -0.12 0.00 -1.02 0.00 0.00 32.46 30.43 1or6 n ARG 24 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1or6 s ILE 25 N -3.38 4.48 -0.42 0.55 1.01 -1.26 -1.12 121.20 121.05 1or6 s ILE 25 Ca -0.04 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.44 1or6 s ILE 25 Cb 0.14 -3.15 0.16 0.00 0.01 0.00 0.00 42.46 39.63 1or6 s ILE 25 CO 0.89 0.26 0.33 -1.10 0.00 0.00 0.00 174.94 175.32 1or6 s GLN 26 N 1.63 0.96 0.22 2.79 -0.21 0.57 -4.99 119.66 120.62 1or6 s GLN 26 Ca 0.06 -2.07 0.11 0.00 0.02 0.00 0.00 55.36 53.48 1or6 s GLN 26 Cb -0.16 -1.55 -0.05 0.00 1.00 0.00 0.00 33.01 32.26 1or6 s GLN 26 CO 0.05 -1.35 -0.21 -0.51 -2.12 0.00 0.00 175.29 171.15 1or6 s LEU 27 N 0.12 2.50 0.39 2.90 1.02 -1.26 -3.44 118.68 120.90 1or6 s LEU 27 Ca 0.30 -0.94 0.08 0.00 0.02 0.00 0.00 54.13 53.59 1or6 s LEU 27 Cb -0.01 -1.05 -0.05 0.00 0.02 0.00 0.00 46.19 45.10 1or6 s LEU 27 CO -0.16 0.04 0.18 0.42 0.02 0.00 0.00 176.35 176.86 1or6 s THR 28 N -2.14 2.58 0.18 5.49 -4.23 -1.26 -5.00 115.64 111.25 1or6 s THR 28 Ca 0.23 -1.67 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 1or6 s THR 28 Cb -0.06 -2.98 0.25 0.00 1.34 0.00 0.00 72.50 71.05 1or6 s THR 28 CO 0.11 -0.06 0.90 -3.20 -0.54 0.00 0.00 174.62 171.83 1or6 n ASN 29 N -1.23 -0.08 -0.41 3.99 5.15 -1.26 0.11 115.26 121.53 1or6 n ASN 29 Ca -0.01 0.98 0.39 0.00 -0.60 0.00 0.00 54.58 55.34 1or6 n ASN 29 Cb 0.63 -0.35 0.75 0.00 -0.53 0.00 0.00 39.78 40.27 1or6 n ASN 29 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1or6 h LYS 30 N 0.00 0.00 -1.57 1.20 1.79 -2.06 0.01 116.57 115.95 1or6 h LYS 30 Ca 0.34 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 58.26 1or6 h LYS 30 Cb 0.70 0.00 -0.42 0.00 -1.58 0.00 0.00 32.23 30.93 1or6 h LYS 30 CO -0.55 0.00 -0.81 0.72 -1.08 0.00 0.00 179.45 177.73 1or6 n HIS 31 N -3.98 3.04 0.13 -1.35 8.25 0.12 -4.90 115.22 116.52 1or6 n HIS 31 Ca 0.30 -3.22 -0.13 0.00 -0.26 0.00 0.00 57.72 54.41 1or6 n HIS 31 Cb 1.47 -0.20 -0.06 0.00 1.12 0.00 0.00 29.99 32.32 1or6 n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1or6 h ALA 32 N 2.72 -0.38 -0.44 -1.41 0.00 -1.09 -3.11 119.26 115.56 1or6 h ALA 32 Ca 0.20 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.16 1or6 h ALA 32 Cb 0.90 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1or6 h ALA 32 CO 0.78 -0.75 -0.09 -0.44 0.00 0.00 0.00 179.25 178.76 1or6 h ASP 33 N -0.41 -0.36 -1.30 0.00 3.45 -1.90 -2.00 116.42 113.89 1or6 h ASP 33 Ca 0.01 0.13 0.38 0.00 0.43 0.00 0.00 57.03 57.98 1or6 h ASP 33 Cb 0.41 0.25 -0.07 0.00 -0.56 0.00 0.00 39.33 39.36 1or6 h ASP 33 CO -0.08 -0.13 0.91 0.58 -1.57 0.00 0.00 179.24 178.95 1or6 h VAL 34 N 0.02 0.33 -0.65 -1.35 2.07 -1.95 0.94 116.25 115.66 1or6 h VAL 34 Ca 0.21 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.65 1or6 h VAL 34 Cb 0.32 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1or6 h VAL 34 CO -0.43 0.02 0.21 0.11 0.02 0.00 0.00 177.57 177.49 1or6 h LYS 35 N 0.09 1.01 -0.14 1.57 1.57 -1.44 0.12 116.57 119.35 1or6 h LYS 35 Ca 0.66 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 59.13 1or6 h LYS 35 Cb 2.40 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 34.55 1or6 h LYS 35 CO -0.12 0.88 -0.36 0.87 -0.57 0.00 0.00 179.45 180.15 1or6 h LYS 36 N 0.94 0.28 -0.29 3.15 1.57 0.78 -2.76 116.57 120.25 1or6 h LYS 36 Ca 0.21 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1or6 h LYS 36 Cb 0.29 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1or6 h LYS 36 CO -0.01 0.61 -0.13 1.96 -0.57 0.00 0.00 179.45 181.31 1or6 h GLN 37 N 0.24 0.60 -0.81 3.15 4.20 -0.52 -0.27 115.11 121.70 1or6 h GLN 37 Ca 0.03 -0.26 0.04 0.00 0.06 0.00 0.00 58.65 58.52 1or6 h GLN 37 Cb 0.75 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.46 1or6 h GLN 37 CO 0.06 0.83 0.53 -0.07 -0.67 0.00 0.00 178.83 179.51 1or6 h LEU 38 N 0.35 0.85 -0.20 1.46 3.38 -0.66 -2.00 115.31 118.49 1or6 h LEU 38 Ca 0.07 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.83 1or6 h LEU 38 Cb 0.65 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1or6 h LEU 38 CO 0.04 0.58 -0.92 0.11 0.09 0.00 0.00 178.44 178.34 1or6 h LYS 39 N 0.98 0.06 0.00 1.13 1.57 -1.35 0.27 116.57 119.24 1or6 h LYS 39 Ca 0.32 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1or6 h LYS 39 Cb 0.06 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1or6 h LYS 39 CO -0.10 0.93 0.00 1.98 -0.57 0.00 0.00 179.45 181.69 1or6 h MET 40 N 0.03 0.00 -0.38 3.15 4.05 -0.30 -2.62 114.93 118.86 1or6 h MET 40 Ca -0.03 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1or6 h MET 40 Cb 1.60 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.40 1or6 h MET 40 CO 0.13 0.00 0.00 1.33 0.23 0.00 0.00 176.91 178.60 1or6 n VAL 41 N -2.68 1.07 -3.67 -5.77 0.24 -1.04 -4.97 118.33 101.51 1or6 n VAL 41 Ca 0.02 -1.04 -0.25 0.00 -2.04 0.00 0.00 64.34 61.03 1or6 n VAL 41 Cb 0.29 0.46 0.06 0.00 -1.47 0.00 0.00 33.84 33.18 1or6 n VAL 41 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1or6 n ARG 42 N 0.58 -6.97 -3.56 7.34 1.74 -0.99 -4.91 116.66 109.89 1or6 n ARG 42 Ca 0.13 0.76 -0.41 0.00 -0.77 0.00 0.00 57.85 57.56 1or6 n ARG 42 Cb 0.47 -5.73 -0.09 0.00 -1.02 0.00 0.00 32.46 26.09 1or6 n ARG 42 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1or6 s LEU 43 N -7.15 5.66 0.00 0.55 2.96 0.08 -4.86 118.68 115.92 1or6 s LEU 43 Ca 0.50 -1.89 0.00 0.00 -0.22 0.00 0.00 54.13 52.52 1or6 s LEU 43 Cb -0.23 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.45 1or6 s LEU 43 CO 0.76 -0.68 0.00 0.61 -1.32 0.00 0.00 176.35 175.72 1or6 n GLY 44 N 4.90 5.28 0.27 7.98 0.00 -1.26 -4.40 105.19 117.96 1or6 n GLY 44 Ca -0.08 -1.85 0.03 0.00 0.00 0.00 0.00 46.02 44.12 1or6 n GLY 44 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1or6 h ASP 45 N 0.00 0.33 -0.12 1.61 3.32 -1.97 0.07 116.42 119.66 1or6 h ASP 45 Ca 0.00 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1or6 h ASP 45 Cb 0.00 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1or6 h ASP 45 CO 0.00 0.16 0.06 0.00 -1.72 0.00 0.00 179.24 177.74 1or6 h ALA 46 N 1.48 0.15 -0.01 3.45 0.00 -1.97 -2.28 119.26 120.08 1or6 h ALA 46 Ca 0.37 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1or6 h ALA 46 Cb 0.49 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1or6 h ALA 46 CO -0.34 -0.30 -0.05 0.93 0.00 0.00 0.00 179.25 179.49 1or6 h GLU 47 N 0.08 -0.09 -0.44 0.00 3.07 -1.67 -1.83 114.58 113.71 1or6 h GLU 47 Ca 0.04 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.89 1or6 h GLU 47 Cb 0.10 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 1or6 h GLU 47 CO -0.01 -0.06 0.21 -0.07 -1.40 0.00 0.00 179.01 177.69 1or6 h LEU 48 N -0.09 0.54 -1.10 1.33 3.38 -1.00 0.61 115.31 118.98 1or6 h LEU 48 Ca 0.03 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1or6 h LEU 48 Cb 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1or6 h LEU 48 CO -0.06 0.47 -0.45 0.22 0.09 0.00 0.00 178.44 178.71 1or6 h TYR 49 N 0.61 0.00 -0.29 1.13 -0.00 -1.14 -0.80 116.97 116.48 1or6 h TYR 49 Ca 0.15 0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 58.81 1or6 h TYR 49 Cb 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.79 1or6 h TYR 49 CO 0.00 0.45 -0.10 0.28 -0.00 0.00 0.00 178.16 178.79 1or6 h VAL 50 N 0.00 1.29 -0.85 1.81 2.07 -0.07 -2.57 116.25 117.92 1or6 h VAL 50 Ca -0.00 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.37 1or6 h VAL 50 Cb 0.80 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1or6 h VAL 50 CO 0.06 0.37 0.56 -0.07 0.02 0.00 0.00 177.57 178.51 1or6 h LEU 51 N 0.34 0.95 -1.30 2.57 3.38 -0.67 -1.56 115.31 119.03 1or6 h LEU 51 Ca 0.07 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1or6 h LEU 51 Cb 0.60 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1or6 h LEU 51 CO 0.03 0.68 -0.21 -0.08 0.09 0.00 0.00 178.44 178.95 1or6 h GLU 52 N 1.12 0.21 0.00 1.13 4.81 -0.95 -1.52 114.58 119.38 1or6 h GLU 52 Ca 0.32 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1or6 h GLU 52 Cb -0.07 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1or6 h GLU 52 CO -0.08 0.42 0.00 1.96 -0.73 0.00 0.00 179.01 180.58 1or6 h GLN 53 N 0.19 0.00 0.00 1.92 4.20 -0.90 -3.17 115.11 117.35 1or6 h GLN 53 Ca 0.03 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.47 1or6 h GLN 53 Cb 0.49 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.22 1or6 h GLN 53 CO 0.03 0.00 -1.57 -0.07 -0.67 0.00 0.00 178.83 176.55 1or6 h LEU 54 N 0.00 0.00 -0.98 1.46 3.38 -0.82 -3.40 115.31 114.95 1or6 h LEU 54 Ca 0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 1or6 h LEU 54 Cb 0.80 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.37 1or6 h LEU 54 CO 0.00 0.98 -0.28 -0.61 0.09 0.00 0.00 178.44 178.62 1or6 h GLN 55 N 0.00 -0.00 -0.75 1.13 4.15 -1.27 0.52 115.11 118.89 1or6 h GLN 55 Ca -0.23 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.28 1or6 h GLN 55 Cb 1.95 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 29.57 1or6 h GLN 55 CO 0.09 -0.00 0.39 -1.35 -1.93 0.00 0.00 178.83 176.03 1or6 h PRO 56 N -0.00 0.63 -0.34 -2.39 0.11 -1.77 0.49 132.00 128.73 1or6 h PRO 56 Ca 0.44 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.44 1or6 h PRO 56 Cb 0.69 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 1or6 h PRO 56 CO -1.00 0.42 -0.09 1.25 -0.21 0.00 0.00 178.00 178.36 1or6 h LEU 57 N 0.65 0.54 -0.02 2.35 5.85 -0.28 -1.58 115.31 122.83 1or6 h LEU 57 Ca 0.37 -0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.81 1or6 h LEU 57 Cb 0.39 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.29 1or6 h LEU 57 CO -0.27 0.68 -0.54 0.40 -0.34 0.00 0.00 178.44 178.37 1or6 h ILE 58 N 0.52 1.43 -0.41 4.05 1.08 0.32 -3.22 117.51 121.29 1or6 h ILE 58 Ca 0.10 -2.01 0.02 0.00 -0.39 0.00 0.00 64.86 62.58 1or6 h ILE 58 Cb 0.48 2.54 -0.02 0.00 -3.07 0.00 0.00 36.82 36.75 1or6 h ILE 58 CO 0.03 0.58 0.27 1.56 -0.69 0.00 0.00 178.15 179.90 1or6 h GLN 59 N -0.11 0.48 0.00 2.37 4.20 0.09 0.12 115.11 122.25 1or6 h GLN 59 Ca -0.06 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1or6 h GLN 59 Cb 1.24 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.92 1or6 h GLN 59 CO 0.11 0.32 0.00 0.39 -0.67 0.00 0.00 178.83 178.97 1or6 n GLU 60 N -4.48 0.11 -0.09 1.46 1.02 -0.61 -3.24 120.64 114.80 1or6 n GLU 60 Ca 0.04 0.21 0.02 0.00 -0.02 0.00 0.00 57.16 57.41 1or6 n GLU 60 Cb 0.10 -1.67 0.03 0.00 -0.02 0.00 0.00 31.44 29.89 1or6 n GLU 60 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1or6 n ASN 61 N -1.87 1.23 -0.32 1.62 3.02 -0.52 -4.82 115.26 113.60 1or6 n ASN 61 Ca 0.05 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 1or6 n ASN 61 Cb 0.30 -0.12 0.14 0.00 -0.61 0.00 0.00 39.78 39.48 1or6 n ASN 61 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1or6 h ILE 62 N 1.89 1.08 0.07 2.41 6.09 -0.79 -1.49 117.51 126.77 1or6 h ILE 62 Ca 0.00 -0.36 0.02 0.00 -1.37 0.00 0.00 64.86 63.16 1or6 h ILE 62 Cb 0.88 -0.06 -0.05 0.00 0.47 0.00 0.00 36.82 38.07 1or6 h ILE 62 CO 0.00 0.19 -0.41 0.58 -3.07 0.00 0.00 178.15 175.44 1or6 h VAL 63 N 1.04 0.17 -0.19 2.19 2.07 -1.87 0.17 116.25 119.84 1or6 h VAL 63 Ca 0.38 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.94 1or6 h VAL 63 Cb 0.12 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 1or6 h VAL 63 CO -0.16 0.00 -0.06 0.78 0.02 0.00 0.00 177.57 178.16 1or6 h ASN 64 N -0.61 -0.21 -0.73 0.57 4.21 -1.86 0.93 115.58 117.89 1or6 h ASN 64 Ca 0.03 0.06 0.15 0.00 1.21 0.00 0.00 56.30 57.76 1or6 h ASN 64 Cb 0.66 0.13 -0.13 0.00 -1.12 0.00 0.00 38.32 37.85 1or6 h ASN 64 CO -0.27 -0.08 -0.13 0.40 -1.29 0.00 0.00 177.43 176.07 1or6 h ILE 65 N -0.02 0.30 0.00 2.81 2.04 -0.29 0.21 117.51 122.56 1or6 h ILE 65 Ca 0.09 -0.01 -0.11 0.00 1.00 0.00 0.00 64.86 65.83 1or6 h ILE 65 Cb 0.16 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1or6 h ILE 65 CO -0.21 0.00 -0.54 0.58 0.00 0.00 0.00 178.15 177.99 1or6 h VAL 66 N 0.03 1.06 -0.14 1.67 2.07 -0.19 -2.29 116.25 118.45 1or6 h VAL 66 Ca 0.36 -2.11 -0.07 0.00 0.82 0.00 0.00 66.70 65.71 1or6 h VAL 66 Cb 0.59 2.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1or6 h VAL 66 CO -0.72 0.53 -0.20 0.44 0.02 0.00 0.00 177.57 177.64 1or6 h ASP 67 N 0.00 0.42 -0.24 0.57 3.32 0.16 -2.84 116.42 117.81 1or6 h ASP 67 Ca -0.01 -0.52 -0.01 0.00 0.02 0.00 0.00 57.03 56.52 1or6 h ASP 67 Cb 1.21 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 1or6 h ASP 67 CO 0.07 0.86 0.13 0.00 -1.72 0.00 0.00 179.24 178.58 1or6 h ALA 68 N 0.57 1.73 0.85 3.45 0.00 -0.71 -2.54 119.26 122.61 1or6 h ALA 68 Ca 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1or6 h ALA 68 Cb 0.77 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1or6 h ALA 68 CO 0.05 0.23 -0.41 0.35 0.00 0.00 0.00 179.25 179.47 1or6 h PHE 69 N 0.37 -1.06 0.00 0.00 3.57 -1.19 -1.61 116.94 117.03 1or6 h PHE 69 Ca 0.10 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1or6 h PHE 69 Cb 0.03 0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 1or6 h PHE 69 CO 0.00 -0.66 -0.06 1.88 -2.23 0.00 0.00 178.31 177.24 1or6 h TYR 70 N -1.15 0.00 -0.10 0.41 -1.99 -1.49 -1.78 116.97 110.88 1or6 h TYR 70 Ca -0.12 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.46 1or6 h TYR 70 Cb 0.87 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.59 1or6 h TYR 70 CO 0.04 0.06 -0.62 -0.22 -0.00 0.00 0.00 178.16 177.42 1or6 h LYS 71 N 0.00 0.34 0.00 4.88 3.11 -1.40 -2.49 116.57 121.01 1or6 h LYS 71 Ca -0.00 -0.24 -0.07 0.00 -2.81 0.00 0.00 60.65 57.53 1or6 h LYS 71 Cb 0.54 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.79 1or6 h LYS 71 CO 0.01 0.85 -0.35 -0.97 -2.81 0.00 0.00 179.45 176.18 1or6 h ASN 72 N 0.25 0.00 1.06 4.20 -1.24 -0.40 -2.54 115.58 116.91 1or6 h ASN 72 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1or6 h ASN 72 Cb 1.15 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.20 1or6 h ASN 72 CO 0.10 0.35 -0.32 0.18 -1.29 0.00 0.00 177.43 176.45 1or6 n LEU 73 N -3.37 0.64 -0.15 0.34 4.77 -1.07 -3.35 117.00 114.82 1or6 n LEU 73 Ca 0.01 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1or6 n LEU 73 Cb 0.55 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1or6 n LEU 73 CO 0.37 -0.07 0.26 -0.67 -1.33 0.00 0.00 177.39 175.94 1or6 n ASP 74 N -2.03 0.18 -0.05 -1.43 4.64 -0.95 -1.82 116.55 115.08 1or6 n ASP 74 Ca 0.05 -1.23 -0.22 0.00 -1.38 0.00 0.00 54.79 52.01 1or6 n ASP 74 Cb 0.41 -0.09 -0.13 0.00 -1.04 0.00 0.00 41.12 40.27 1or6 n ASP 74 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 1or6 n HIS 75 N -0.29 0.94 -3.28 -0.67 8.25 -1.21 -4.72 115.22 114.24 1or6 n HIS 75 Ca 0.00 0.26 -0.46 0.00 -0.26 0.00 0.00 57.72 57.26 1or6 n HIS 75 Cb 0.05 -1.11 -0.04 0.00 1.12 0.00 0.00 29.99 30.00 1or6 n HIS 75 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1or6 s GLU 76 N -2.49 3.23 0.12 -0.41 -6.30 -0.76 -4.96 118.70 107.13 1or6 s GLU 76 Ca -0.27 -1.92 -0.24 0.00 -2.50 0.00 0.00 54.97 50.03 1or6 s GLU 76 Cb 0.07 -4.36 -0.05 0.00 0.00 0.00 0.00 34.13 29.79 1or6 s GLU 76 CO 0.68 -1.36 1.22 0.45 0.02 0.00 0.00 175.26 176.27 1or6 n SER 77 N 4.99 -0.82 -0.36 -1.70 2.88 -1.26 -0.84 113.62 116.50 1or6 n SER 77 Ca -0.03 1.40 0.05 0.00 -1.33 0.00 0.00 58.87 58.97 1or6 n SER 77 Cb 0.43 -0.19 0.12 0.00 -0.75 0.00 0.00 64.21 63.82 1or6 n SER 77 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1or6 h SER 78 N 0.00 -1.01 -0.74 -3.46 4.64 -1.93 0.27 113.55 111.32 1or6 h SER 78 Ca 0.12 0.30 0.15 0.00 -0.47 0.00 0.00 61.79 61.89 1or6 h SER 78 Cb 0.32 0.64 -0.10 0.00 -0.31 0.00 0.00 62.40 62.95 1or6 h SER 78 CO -0.73 -0.32 0.27 -0.07 -0.87 0.00 0.00 176.83 175.11 1or6 h LEU 79 N -0.00 0.21 -1.30 5.97 3.38 -1.29 0.24 115.31 122.52 1or6 h LEU 79 Ca 0.46 0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.47 1or6 h LEU 79 Cb 0.71 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1or6 h LEU 79 CO -1.02 0.07 -0.34 0.24 0.09 0.00 0.00 178.44 177.47 1or6 h MET 80 N 0.39 0.00 -0.16 1.13 2.86 -0.51 -1.54 114.93 117.10 1or6 h MET 80 Ca 0.41 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.86 1or6 h MET 80 Cb 0.65 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.31 1or6 h MET 80 CO -0.43 0.34 -0.65 -0.44 1.06 0.00 0.00 176.91 176.80 1or6 h ASP 81 N 0.00 0.85 -0.18 1.22 3.32 0.22 -2.43 116.42 119.42 1or6 h ASP 81 Ca -0.00 -0.61 -0.04 0.00 0.02 0.00 0.00 57.03 56.40 1or6 h ASP 81 Cb 0.64 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1or6 h ASP 81 CO 0.04 1.32 0.02 0.40 -1.72 0.00 0.00 179.24 179.30 1or6 h ILE 82 N 0.43 1.16 0.64 0.35 2.04 -0.32 -1.26 117.51 120.55 1or6 h ILE 82 Ca -0.03 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1or6 h ILE 82 Cb 1.28 0.94 0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1or6 h ILE 82 CO 0.14 0.21 -0.31 0.40 0.00 0.00 0.00 178.15 178.59 1or6 h ILE 83 N 0.40 0.23 -0.91 -0.67 2.04 -1.17 -3.18 117.51 114.25 1or6 h ILE 83 Ca 0.09 -0.28 0.08 0.00 1.00 0.00 0.00 64.86 65.75 1or6 h ILE 83 Cb 0.24 0.30 -0.07 0.00 -0.74 0.00 0.00 36.82 36.56 1or6 h ILE 83 CO 0.00 0.03 0.57 0.78 0.00 0.00 0.00 178.15 179.53 1or6 h ASN 84 N -1.08 0.87 0.03 1.72 4.21 -1.22 0.89 115.58 121.01 1or6 h ASN 84 Ca -0.09 0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.45 1or6 h ASN 84 Cb 0.70 -0.16 -0.00 0.00 -1.12 0.00 0.00 38.32 37.74 1or6 h ASN 84 CO 0.14 0.54 -0.00 0.44 -1.29 0.00 0.00 177.43 177.26 1or6 h ASP 85 N 1.00 0.00 0.00 5.81 5.19 -1.25 -3.26 116.42 123.90 1or6 h ASP 85 Ca 0.41 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.82 1or6 h ASP 85 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 1or6 h ASP 85 CO -0.20 0.00 -0.61 1.41 -3.12 0.00 0.00 179.24 176.72 1or6 n HIS 86 N -3.28 0.00 0.00 4.55 8.25 -0.80 -5.11 115.22 118.83 1or6 n HIS 86 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1or6 n HIS 86 Cb 0.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 1or6 n HIS 86 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1or6 n SER 87 N -1.15 0.00 -3.55 0.41 2.88 0.24 -5.11 113.62 107.34 1or6 n SER 87 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1or6 n SER 87 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1or6 n SER 87 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1or6 s SER 88 N 2.00 -0.33 0.23 -3.46 1.04 -1.25 -4.42 113.70 107.51 1or6 s SER 88 Ca 0.00 0.19 -0.06 0.00 0.48 0.00 0.00 55.95 56.56 1or6 s SER 88 Cb 0.00 0.31 0.39 0.00 0.10 0.00 0.00 66.02 66.82 1or6 s SER 88 CO 0.00 -0.43 1.72 1.62 0.98 0.00 0.00 173.24 177.13 1or6 h VAL 89 N 2.27 0.65 -0.57 5.02 3.04 -1.98 0.19 116.25 124.87 1or6 h VAL 89 Ca -0.18 -0.13 -0.08 0.00 -1.01 0.00 0.00 66.70 65.30 1or6 h VAL 89 Cb 1.19 0.25 -0.02 0.00 -2.01 0.00 0.00 31.29 30.70 1or6 h VAL 89 CO 0.30 0.07 0.03 0.44 -1.01 0.00 0.00 177.57 177.40 1or6 h ASP 90 N 0.37 0.94 1.00 3.17 5.19 -1.99 0.44 116.42 125.54 1or6 h ASP 90 Ca 0.37 -0.24 -0.17 0.00 -0.62 0.00 0.00 57.03 56.37 1or6 h ASP 90 Cb 0.56 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.79 1or6 h ASP 90 CO -0.40 0.98 -0.83 -0.09 -3.12 0.00 0.00 179.24 175.77 1or6 h ARG 91 N 0.90 0.00 -0.05 3.56 2.43 -1.75 -3.12 114.38 116.35 1or6 h ARG 91 Ca 0.17 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.14 1or6 h ARG 91 Cb 0.48 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1or6 h ARG 91 CO 0.02 0.83 -0.74 1.25 -1.51 0.00 0.00 179.97 179.82 1or6 h LEU 92 N 0.00 0.73 -0.83 3.80 7.12 -0.45 -3.08 115.31 122.61 1or6 h LEU 92 Ca -0.01 -0.71 0.08 0.00 0.13 0.00 0.00 57.88 57.38 1or6 h LEU 92 Cb 1.56 -0.22 -0.07 0.00 -0.53 0.00 0.00 40.66 41.40 1or6 h LEU 92 CO 0.11 1.34 0.49 0.11 -0.13 0.00 0.00 178.44 180.35 1or6 h LYS 93 N 0.19 0.82 -0.70 1.25 1.57 -0.99 -1.04 116.57 117.67 1or6 h LYS 93 Ca -0.08 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1or6 h LYS 93 Cb 1.41 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 1or6 h LYS 93 CO 0.15 0.54 0.41 1.96 -0.57 0.00 0.00 179.45 181.94 1or6 h GLN 94 N 0.84 0.75 0.00 3.15 7.50 -1.51 0.74 115.11 126.59 1or6 h GLN 94 Ca 0.39 -0.05 -0.05 0.00 0.50 0.00 0.00 58.65 59.44 1or6 h GLN 94 Cb 0.30 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.65 1or6 h GLN 94 CO -0.22 0.50 -0.26 1.79 -1.50 0.00 0.00 178.83 179.14 1or6 h THR 95 N 0.78 0.47 0.04 -0.54 1.35 -1.35 -3.15 112.91 110.51 1or6 h THR 95 Ca 0.30 -1.55 -0.27 0.00 -0.55 0.00 0.00 66.41 64.34 1or6 h THR 95 Cb 0.12 2.14 0.02 0.00 -1.73 0.00 0.00 68.15 68.70 1or6 h THR 95 CO -0.15 0.26 -1.10 0.25 -0.25 0.00 0.00 175.52 174.52 1or6 h LEU 96 N 0.00 0.81 -1.57 3.87 5.85 -0.45 -0.31 115.31 123.52 1or6 h LEU 96 Ca -0.00 -0.69 -0.02 0.00 0.84 0.00 0.00 57.88 58.00 1or6 h LEU 96 Cb 1.12 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1or6 h LEU 96 CO 0.03 1.50 0.01 0.11 -0.34 0.00 0.00 178.44 179.75 1or6 h LYS 97 N 0.31 0.29 0.15 1.25 1.57 -0.91 -1.23 116.57 118.00 1or6 h LYS 97 Ca -0.14 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1or6 h LYS 97 Cb 1.76 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.02 1or6 h LYS 97 CO 0.21 0.30 -0.07 -0.09 -0.57 0.00 0.00 179.45 179.23 1or6 h ARG 98 N 0.28 -0.19 -0.61 3.15 2.43 -1.48 -2.73 114.38 115.23 1or6 h ARG 98 Ca 0.07 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.32 1or6 h ARG 98 Cb 0.18 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.71 1or6 h ARG 98 CO 0.00 0.22 0.29 1.25 -1.51 0.00 0.00 179.97 180.22 1or6 h HIS 99 N -0.92 0.52 -0.53 2.20 2.76 -0.92 -1.21 115.15 117.04 1or6 h HIS 99 Ca -0.02 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 1or6 h HIS 99 Cb 0.50 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 1or6 h HIS 99 CO 0.09 0.20 0.25 0.82 -1.30 0.00 0.00 177.93 177.99 1or6 h ILE 100 N 0.52 1.18 0.28 6.26 2.04 -1.33 -2.76 117.51 123.70 1or6 h ILE 100 Ca 0.29 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1or6 h ILE 100 Cb 0.27 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1or6 h ILE 100 CO -0.23 0.21 -0.24 -0.61 0.00 0.00 0.00 178.15 177.27 1or6 h GLN 101 N 0.74 -0.49 -1.37 2.37 5.75 -0.90 -2.66 115.11 118.55 1or6 h GLN 101 Ca 0.19 0.03 0.40 0.00 -0.15 0.00 0.00 58.65 59.12 1or6 h GLN 101 Cb 0.08 0.11 -0.08 0.00 1.07 0.00 0.00 27.48 28.67 1or6 h GLN 101 CO -0.02 -0.33 0.95 0.93 -2.65 0.00 0.00 178.83 177.71 1or6 h GLU 102 N -0.51 0.07 -0.28 1.69 5.08 -1.26 -0.13 114.58 119.24 1or6 h GLU 102 Ca -0.04 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1or6 h GLU 102 Cb 0.43 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1or6 h GLU 102 CO -0.01 0.05 0.21 0.52 -1.00 0.00 0.00 179.01 178.77 1or6 h MET 103 N 0.08 0.00 -0.60 2.33 2.86 -1.18 0.29 114.93 118.70 1or6 h MET 103 Ca 0.70 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 58.20 1or6 h MET 103 Cb 2.55 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 34.12 1or6 h MET 103 CO -0.13 0.00 0.15 1.19 1.06 0.00 0.00 176.91 179.19 1or6 n PHE 104 N -4.36 2.04 0.23 -0.22 3.72 -0.06 -4.49 117.46 114.31 1or6 n PHE 104 Ca 0.04 -1.11 0.10 0.00 -0.05 0.00 0.00 57.45 56.43 1or6 n PHE 104 Cb 0.37 -0.58 0.56 0.00 -0.94 0.00 0.00 39.48 38.88 1or6 n PHE 104 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1or6 h ALA 105 N 2.61 1.18 0.00 4.37 0.00 -1.02 -3.24 119.26 123.17 1or6 h ALA 105 Ca 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1or6 h ALA 105 Cb 2.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1or6 h ALA 105 CO 0.59 0.27 0.00 0.41 0.00 0.00 0.00 179.25 180.51 1or6 n GLY 106 N -0.31 0.49 2.82 0.00 0.00 -1.26 -4.73 105.19 102.21 1or6 n GLY 106 Ca -0.01 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 1or6 n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1or6 s VAL 107 N -2.00 -0.05 -0.23 1.61 1.01 -1.26 -4.65 120.40 114.83 1or6 s VAL 107 Ca 0.00 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.19 1or6 s VAL 107 Cb 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 36.38 36.30 1or6 s VAL 107 CO 0.00 0.08 -0.14 -0.63 0.00 0.00 0.00 175.10 174.41 1or6 s ILE 108 N 1.03 2.17 0.28 2.22 1.01 -0.28 -4.95 121.20 122.68 1or6 s ILE 108 Ca -0.08 -1.34 0.04 0.00 0.00 0.00 0.00 60.65 59.26 1or6 s ILE 108 Cb -0.12 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 1or6 s ILE 108 CO -0.04 0.20 0.20 1.51 0.00 0.00 0.00 174.94 176.82 1or6 s ASP 109 N 1.19 1.14 0.28 3.58 3.84 -1.26 -0.32 116.67 125.12 1or6 s ASP 109 Ca -0.03 -1.59 0.02 0.00 -0.00 0.00 0.00 52.55 50.94 1or6 s ASP 109 Cb -0.17 0.46 0.64 0.00 -1.38 0.00 0.00 42.92 42.48 1or6 s ASP 109 CO -0.08 -0.95 1.72 0.44 -0.00 0.00 0.00 175.17 176.29 1or6 h ASP 110 N 2.31 0.37 0.15 2.11 5.19 -1.95 0.47 116.42 125.08 1or6 h ASP 110 Ca -0.30 0.13 -0.03 0.00 -0.62 0.00 0.00 57.03 56.21 1or6 h ASP 110 Cb 1.24 0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.84 1or6 h ASP 110 CO 0.45 0.07 -0.14 -0.08 -3.12 0.00 0.00 179.24 176.43 1or6 h GLU 111 N 0.46 0.00 -0.11 3.56 4.57 -1.96 -1.88 114.58 119.22 1or6 h GLU 111 Ca 0.52 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.49 1or6 h GLU 111 Cb 0.90 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 1or6 h GLU 111 CO -0.47 0.14 -0.76 0.35 -1.18 0.00 0.00 179.01 177.09 1or6 h PHE 112 N 0.00 0.80 0.41 0.92 3.04 -0.45 -3.15 116.94 118.51 1or6 h PHE 112 Ca -0.00 -0.35 -0.02 0.00 3.98 0.00 0.00 57.97 61.58 1or6 h PHE 112 Cb 0.25 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.64 1or6 h PHE 112 CO 0.00 1.15 -0.20 0.82 -2.02 0.00 0.00 178.31 178.06 1or6 h ILE 113 N 0.40 0.00 -1.67 1.41 1.08 -0.87 -3.23 117.51 114.63 1or6 h ILE 113 Ca -0.04 -0.24 0.48 0.00 -0.39 0.00 0.00 64.86 64.68 1or6 h ILE 113 Cb 1.36 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 35.04 1or6 h ILE 113 CO 0.14 0.00 1.20 -0.33 -0.69 0.00 0.00 178.15 178.47 1or6 h GLU 114 N -0.79 0.00 -0.31 2.37 5.08 -1.49 1.13 114.58 120.58 1or6 h GLU 114 Ca -0.06 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 1or6 h GLU 114 Cb 0.43 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1or6 h GLU 114 CO 0.09 0.00 -0.22 0.87 -1.00 0.00 0.00 179.01 178.75 1or6 h LYS 115 N 0.00 0.69 -0.55 2.33 1.57 -1.57 -1.99 116.57 117.05 1or6 h LYS 115 Ca 0.80 -0.34 0.02 0.00 -1.87 0.00 0.00 60.65 59.26 1or6 h LYS 115 Cb 3.18 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 35.46 1or6 h LYS 115 CO -0.02 0.94 0.35 0.00 -0.57 0.00 0.00 179.45 180.15 1or6 h ARG 116 N 0.45 0.68 -0.80 3.15 -0.00 0.13 -1.11 114.38 116.87 1or6 h ARG 116 Ca 0.06 -0.04 0.09 0.00 -0.50 0.00 0.00 59.98 59.59 1or6 h ARG 116 Cb 0.78 -0.15 -0.07 0.00 0.00 0.00 0.00 29.97 30.52 1or6 h ARG 116 CO 0.06 0.45 0.45 -0.91 0.00 0.00 0.00 179.97 180.02 1or6 h ASN 117 N 0.70 0.63 0.71 7.04 4.21 -1.19 0.39 115.58 128.07 1or6 h ASN 117 Ca 0.21 0.05 -0.03 0.00 1.21 0.00 0.00 56.30 57.74 1or6 h ASN 117 Cb -0.03 -0.07 0.01 0.00 -1.12 0.00 0.00 38.32 37.11 1or6 h ASN 117 CO -0.07 0.36 -0.34 0.03 -1.29 0.00 0.00 177.43 176.12 1or6 h ARG 118 N 0.75 -0.92 -0.41 0.81 3.08 -0.56 -0.48 114.38 116.66 1or6 h ARG 118 Ca 0.39 0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.55 1or6 h ARG 118 Cb 0.37 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1or6 h ARG 118 CO -0.25 -0.59 0.28 -0.84 -1.07 0.00 0.00 179.97 177.49 1or6 h ILE 119 N -1.02 0.99 -0.42 2.04 -0.00 -0.73 0.33 117.51 118.70 1or6 h ILE 119 Ca -0.10 -0.13 -0.01 0.00 -0.00 0.00 0.00 64.86 64.63 1or6 h ILE 119 Cb 0.75 0.59 -0.02 0.00 -0.00 0.00 0.00 36.82 38.13 1or6 h ILE 119 CO 0.16 0.07 0.23 0.00 -0.00 0.00 0.00 178.15 178.61 1or6 h ALA 120 N 1.77 0.54 -0.23 0.16 0.00 0.13 -1.31 119.26 120.32 1or6 h ALA 120 Ca 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1or6 h ALA 120 Cb 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1or6 h ALA 120 CO -0.04 0.07 0.08 1.03 0.00 0.00 0.00 179.25 180.39 1or6 h SER 121 N 0.55 0.33 -0.95 0.00 0.87 0.64 -2.53 113.55 112.45 1or6 h SER 121 Ca 0.15 -0.19 0.04 0.00 -1.23 0.00 0.00 61.79 60.56 1or6 h SER 121 Cb 0.06 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 61.88 1or6 h SER 121 CO -0.02 0.43 0.62 0.40 -0.53 0.00 0.00 176.83 177.72 1or6 h ILE 122 N 0.21 1.15 -0.49 2.23 2.04 -0.78 -1.91 117.51 119.95 1or6 h ILE 122 Ca 0.07 -0.40 -0.13 0.00 1.00 0.00 0.00 64.86 65.40 1or6 h ILE 122 Cb 0.21 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 1or6 h ILE 122 CO -0.00 0.21 -0.21 0.45 0.00 0.00 0.00 178.15 178.60 1or6 h HIS 123 N 1.18 1.16 0.41 1.37 3.86 -1.12 -2.82 115.15 119.19 1or6 h HIS 123 Ca 0.38 -0.28 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1or6 h HIS 123 Cb 0.04 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.25 1or6 h HIS 123 CO -0.00 1.11 -0.20 1.25 0.86 0.00 0.00 177.93 180.96 1or6 h LEU 124 N 0.87 -0.47 -0.22 2.43 5.85 -1.04 -1.21 115.31 121.51 1or6 h LEU 124 Ca 0.11 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.89 1or6 h LEU 124 Cb 0.80 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 1or6 h LEU 124 CO 0.07 -0.32 -0.31 -0.09 -0.34 0.00 0.00 178.44 177.45 1or6 h ARG 125 N -0.57 -0.32 0.00 1.25 2.43 -1.37 0.27 114.38 116.06 1or6 h ARG 125 Ca -0.06 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1or6 h ARG 125 Cb 0.44 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1or6 h ARG 125 CO 0.09 -0.21 0.00 0.44 -1.51 0.00 0.00 179.97 178.78 1or6 n ILE 126 N -5.41 0.70 -1.73 1.20 -5.35 -1.07 -4.87 119.36 102.85 1or6 n ILE 126 Ca -0.02 0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.64 1or6 n ILE 126 Cb 0.32 -1.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.22 1or6 n ILE 126 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1or6 n GLY 127 N -0.38 0.63 3.65 3.28 0.00 0.08 -5.02 105.19 107.45 1or6 n GLY 127 Ca 0.05 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 1or6 n GLY 127 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1or6 s LEU 128 N -0.05 4.03 0.03 0.99 2.96 -0.48 -4.98 118.68 121.18 1or6 s LEU 128 Ca 0.00 1.26 -0.30 0.00 -0.22 0.00 0.00 54.13 54.86 1or6 s LEU 128 Cb 0.00 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.09 1or6 s LEU 128 CO 0.00 -0.76 1.32 -0.76 -1.32 0.00 0.00 176.35 174.83 1or6 s LEU 129 N 3.41 4.34 0.45 -0.68 1.02 -1.26 -4.65 118.68 121.30 1or6 s LEU 129 Ca 0.45 2.09 0.29 0.00 0.02 0.00 0.00 54.13 56.99 1or6 s LEU 129 Cb -0.14 -3.57 1.38 0.00 0.02 0.00 0.00 46.19 43.88 1or6 s LEU 129 CO 0.10 -0.62 1.69 1.55 0.02 0.00 0.00 176.35 179.09 1or6 h PRO 130 N 7.30 0.15 -0.15 1.29 0.13 -1.98 0.73 132.00 139.47 1or6 h PRO 130 Ca -0.39 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.66 1or6 h PRO 130 Cb 1.19 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1or6 h PRO 130 CO 0.87 0.10 -0.22 1.57 -0.23 0.00 0.00 178.00 180.08 1or6 h LYS 131 N 0.16 0.26 0.00 0.86 2.10 -2.01 -1.57 116.57 116.37 1or6 h LYS 131 Ca 0.72 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 59.29 1or6 h LYS 131 Cb 2.31 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.62 1or6 h LYS 131 CO -0.28 0.48 0.00 0.91 -2.00 0.00 0.00 179.45 178.56 1or6 n TRP 132 N -4.18 0.58 -0.06 0.07 5.03 0.24 -3.01 117.44 116.11 1or6 n TRP 132 Ca -0.01 0.18 -0.14 0.00 3.03 0.00 0.00 57.50 60.56 1or6 n TRP 132 Cb 0.34 -0.79 -0.12 0.00 -1.03 0.00 0.00 31.31 29.71 1or6 n TRP 132 CO 0.00 0.00 0.00 -0.92 -0.03 0.00 0.00 177.69 176.74 1or6 h TYR 133 N 0.00 -0.00 -0.18 -5.99 3.20 -1.23 -3.08 116.97 109.69 1or6 h TYR 133 Ca 0.00 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1or6 h TYR 133 Cb 0.59 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 1or6 h TYR 133 CO 0.00 0.91 -0.05 0.52 -1.64 0.00 0.00 178.16 177.90 1or6 h MET 134 N -0.92 -0.01 -0.18 1.82 2.86 -1.54 -1.46 114.93 115.50 1or6 h MET 134 Ca -0.00 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1or6 h MET 134 Cb 0.91 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 1or6 h MET 134 CO 0.00 -0.01 0.29 0.78 1.06 0.00 0.00 176.91 179.04 1or6 h GLY 135 N -0.01 0.00 1.19 8.32 0.00 -1.64 0.11 103.07 111.05 1or6 h GLY 135 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.25 1or6 h GLY 135 CO -0.20 0.00 -0.46 0.00 0.00 0.00 0.00 176.54 175.89 1or6 h ALA 136 N 1.59 0.56 -0.21 3.60 0.00 -1.16 -3.14 119.26 120.49 1or6 h ALA 136 Ca 0.09 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1or6 h ALA 136 Cb 0.67 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1or6 h ALA 136 CO -0.00 0.68 -0.15 0.74 0.00 0.00 0.00 179.25 180.51 1or6 h PHE 137 N 0.69 0.38 0.00 0.00 -1.00 -0.73 -2.31 116.94 113.98 1or6 h PHE 137 Ca 0.04 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1or6 h PHE 137 Cb 1.05 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.51 1or6 h PHE 137 CO 0.06 0.50 0.00 0.37 -1.61 0.00 0.00 178.31 177.64 1or6 h GLN 138 N 0.33 0.00 0.10 1.51 5.75 -1.48 0.50 115.11 121.82 1or6 h GLN 138 Ca 0.06 0.00 -0.29 0.00 -0.15 0.00 0.00 58.65 58.28 1or6 h GLN 138 Cb 0.47 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 1or6 h GLN 138 CO 0.03 0.00 -1.50 1.49 -2.65 0.00 0.00 178.83 176.20 1or6 h GLU 139 N 0.00 0.21 0.41 1.69 4.57 -1.52 -3.14 114.58 116.80 1or6 h GLU 139 Ca 0.00 -0.36 -0.01 0.00 -1.18 0.00 0.00 59.36 57.81 1or6 h GLU 139 Cb 0.03 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1or6 h GLU 139 CO 0.00 1.17 -0.31 -0.07 -1.18 0.00 0.00 179.01 178.62 1or6 h LEU 140 N -0.34 -0.81 -0.66 1.64 4.07 -1.03 0.46 115.31 118.64 1or6 h LEU 140 Ca -0.33 0.06 0.09 0.00 0.08 0.00 0.00 57.88 57.77 1or6 h LEU 140 Cb 1.74 0.26 -0.07 0.00 1.08 0.00 0.00 40.66 43.67 1or6 h LEU 140 CO 0.03 -0.47 0.31 0.25 -1.08 0.00 0.00 178.44 177.48 1or6 h LEU 141 N -0.72 0.40 -0.45 1.67 7.12 -1.15 0.21 115.31 122.39 1or6 h LEU 141 Ca -0.04 0.06 -0.07 0.00 0.13 0.00 0.00 57.88 57.96 1or6 h LEU 141 Cb 0.61 -0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.73 1or6 h LEU 141 CO 0.00 0.23 -0.01 -0.07 -0.13 0.00 0.00 178.44 178.47 1or6 h LEU 142 N 0.55 0.79 -0.68 2.25 4.07 -1.47 0.15 115.31 120.97 1or6 h LEU 142 Ca 0.32 -0.31 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 1or6 h LEU 142 Cb 0.34 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.84 1or6 h LEU 142 CO -0.26 0.91 0.33 -1.28 -1.08 0.00 0.00 178.44 177.05 1or6 h SER 143 N 0.64 0.89 0.12 -0.43 0.87 0.08 -2.48 113.55 113.24 1or6 h SER 143 Ca 0.13 -0.13 -0.16 0.00 -1.23 0.00 0.00 61.79 60.39 1or6 h SER 143 Cb 0.51 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1or6 h SER 143 CO 0.02 0.77 -0.58 0.24 -0.53 0.00 0.00 176.83 176.75 1or6 h MET 144 N 0.94 0.47 -0.91 2.24 2.86 -0.43 -2.58 114.93 117.52 1or6 h MET 144 Ca 0.23 -0.31 0.08 0.00 -2.06 0.00 0.00 59.70 57.64 1or6 h MET 144 Cb 0.12 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.75 1or6 h MET 144 CO -0.03 0.92 0.56 0.82 1.06 0.00 0.00 176.91 180.24 1or6 h ILE 145 N 0.35 1.01 -0.05 -1.22 2.04 -0.27 -0.82 117.51 118.57 1or6 h ILE 145 Ca -0.00 -0.34 -0.15 0.00 1.00 0.00 0.00 64.86 65.37 1or6 h ILE 145 Cb 1.12 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1or6 h ILE 145 CO 0.10 0.18 -0.66 0.44 0.00 0.00 0.00 178.15 178.21 1or6 h ASP 146 N 0.99 0.23 -0.67 1.72 3.32 -1.33 -1.42 116.42 119.27 1or6 h ASP 146 Ca 0.41 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 1or6 h ASP 146 Cb 0.25 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1or6 h ASP 146 CO -0.20 0.83 0.25 0.40 -1.72 0.00 0.00 179.24 178.80 1or6 h ILE 147 N 0.14 1.25 0.56 0.35 1.08 -0.87 -2.51 117.51 117.51 1or6 h ILE 147 Ca -0.01 -0.79 -0.03 0.00 -0.39 0.00 0.00 64.86 63.63 1or6 h ILE 147 Cb 1.19 0.51 0.01 0.00 -3.07 0.00 0.00 36.82 35.45 1or6 h ILE 147 CO 0.10 0.31 -0.27 1.88 -0.69 0.00 0.00 178.15 179.48 1or6 h TYR 148 N 0.96 -0.70 -0.51 1.37 0.05 -1.04 -1.23 116.97 115.87 1or6 h TYR 148 Ca 0.22 -0.02 0.15 0.00 0.05 0.00 0.00 58.73 59.13 1or6 h TYR 148 Cb 0.24 0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.19 1or6 h TYR 148 CO 0.02 -0.44 0.77 1.49 -1.05 0.00 0.00 178.16 178.95 1or6 h GLU 149 N -1.09 0.00 0.03 4.88 4.22 -1.26 0.93 114.58 122.29 1or6 h GLU 149 Ca -0.08 0.00 -0.33 0.00 0.08 0.00 0.00 59.36 59.03 1or6 h GLU 149 Cb 0.58 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 1or6 h GLU 149 CO 0.13 0.00 -1.95 0.00 -2.18 0.00 0.00 179.01 175.00 1or6 n ALA 150 N -2.12 1.35 0.44 2.92 0.00 -0.95 -4.39 120.51 117.76 1or6 n ALA 150 Ca 0.10 -0.85 0.11 0.00 0.00 0.00 0.00 53.44 52.80 1or6 n ALA 150 Cb 0.95 -0.64 -0.08 0.00 0.00 0.00 0.00 19.45 19.68 1or6 n ALA 150 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1or6 n SER 151 N -3.11 0.50 -4.04 0.00 7.64 0.19 -4.78 113.62 110.03 1or6 n SER 151 Ca -0.25 -0.30 -0.32 0.00 1.01 0.00 0.00 58.87 59.01 1or6 n SER 151 Cb 1.07 1.25 -0.15 0.00 -1.01 0.00 0.00 64.21 65.37 1or6 n SER 151 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1or6 s ILE 152 N -3.27 2.40 0.08 0.44 1.01 0.27 -5.01 121.20 117.11 1or6 s ILE 152 Ca 0.00 -2.19 -0.15 0.00 0.00 0.00 0.00 60.65 58.32 1or6 s ILE 152 Cb 0.14 -2.70 -0.17 0.00 0.01 0.00 0.00 42.46 39.75 1or6 s ILE 152 CO 0.86 -0.52 1.27 0.71 0.00 0.00 0.00 174.94 177.26 1or6 h THR 153 N 6.60 1.31 -2.37 2.92 1.35 -1.83 -3.42 112.91 117.46 1or6 h THR 153 Ca -0.08 -1.96 -0.57 0.00 -0.55 0.00 0.00 66.41 63.26 1or6 h THR 153 Cb 1.03 2.09 -0.01 0.00 -1.73 0.00 0.00 68.15 69.53 1or6 h THR 153 CO 0.53 0.61 1.33 0.21 -0.25 0.00 0.00 175.52 177.95 1or6 s ASN 154 N -6.99 5.90 0.24 5.36 3.84 -1.26 -4.89 114.94 117.14 1or6 s ASN 154 Ca -0.11 1.82 -0.15 0.00 0.21 0.00 0.00 52.86 54.63 1or6 s ASN 154 Cb 0.07 -2.52 0.29 0.00 -0.55 0.00 0.00 41.25 38.55 1or6 s ASN 154 CO 0.88 -1.62 1.56 -0.61 -2.79 0.00 0.00 177.10 174.53 1or6 h GLN 155 N 12.96 -0.02 -0.58 0.43 4.15 -2.01 -1.99 115.11 128.06 1or6 h GLN 155 Ca -0.39 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.04 1or6 h GLN 155 Cb 1.20 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.87 1or6 h GLN 155 CO 0.98 -0.01 0.38 1.96 -1.93 0.00 0.00 178.83 180.20 1or6 h GLN 156 N -0.02 0.74 0.00 1.69 4.20 -1.98 -2.52 115.11 117.22 1or6 h GLN 156 Ca 0.37 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 59.02 1or6 h GLN 156 Cb 0.62 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 1or6 h GLN 156 CO -0.95 0.49 -0.10 0.93 -0.67 0.00 0.00 178.83 178.53 1or6 h GLU 157 N 0.76 0.00 -0.30 1.46 5.08 -1.77 -2.45 114.58 117.37 1or6 h GLU 157 Ca 0.22 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1or6 h GLU 157 Cb -0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1or6 h GLU 157 CO -0.06 0.10 -0.03 1.25 -1.00 0.00 0.00 179.01 179.27 1or6 h LEU 158 N 0.00 0.54 -1.02 1.33 6.46 -1.12 -1.49 115.31 120.01 1or6 h LEU 158 Ca -0.00 -0.33 -0.08 0.00 -0.12 0.00 0.00 57.88 57.34 1or6 h LEU 158 Cb 0.43 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 1or6 h LEU 158 CO 0.01 0.74 -0.16 -0.07 -0.62 0.00 0.00 178.44 178.34 1or6 h LEU 159 N 0.32 0.51 -0.13 2.25 -0.00 -1.41 0.46 115.31 117.30 1or6 h LEU 159 Ca 0.08 -0.15 0.02 0.00 -0.00 0.00 0.00 57.88 57.84 1or6 h LEU 159 Cb 0.48 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.99 1or6 h LEU 159 CO 0.02 0.69 -0.01 0.50 -0.00 0.00 0.00 178.44 179.64 1or6 h LYS 160 N 0.47 0.02 -0.40 1.13 3.64 -1.05 0.22 116.57 120.61 1or6 h LYS 160 Ca 0.08 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1or6 h LYS 160 Cb 0.56 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1or6 h LYS 160 CO 0.04 0.02 -0.05 0.00 -2.27 0.00 0.00 179.45 177.18 1or6 h ALA 161 N 1.12 0.55 -0.86 5.00 0.00 -0.96 -2.38 119.26 121.73 1or6 h ALA 161 Ca 0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1or6 h ALA 161 Cb 0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1or6 h ALA 161 CO -0.12 0.38 0.44 0.82 0.00 0.00 0.00 179.25 180.77 1or6 h ILE 162 N 0.56 1.26 -0.10 0.00 2.04 -0.56 -2.58 117.51 118.14 1or6 h ILE 162 Ca 0.11 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1or6 h ILE 162 Cb 0.56 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1or6 h ILE 162 CO 0.03 0.30 0.03 0.11 0.00 0.00 0.00 178.15 178.62 1or6 h LYS 163 N 1.21 0.16 -0.33 2.37 1.57 -0.44 -2.48 116.57 118.63 1or6 h LYS 163 Ca 0.30 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.11 1or6 h LYS 163 Cb 0.07 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.29 1or6 h LYS 163 CO -0.04 0.32 -0.16 0.00 -0.57 0.00 0.00 179.45 179.00 1or6 h ALA 164 N 0.83 0.10 -0.61 3.86 0.00 -1.25 -2.13 119.26 120.06 1or6 h ALA 164 Ca 0.03 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1or6 h ALA 164 Cb 0.23 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1or6 h ALA 164 CO -0.00 -0.54 0.31 0.00 0.00 0.00 0.00 179.25 179.02 1or6 h THR 165 N -0.10 1.21 -0.21 0.00 1.03 -1.44 -1.52 112.91 111.87 1or6 h THR 165 Ca 0.17 -0.55 -0.00 0.00 -0.01 0.00 0.00 66.41 66.01 1or6 h THR 165 Cb 0.36 0.46 -0.01 0.00 -1.07 0.00 0.00 68.15 67.88 1or6 h THR 165 CO -0.39 0.23 0.12 0.71 -0.01 0.00 0.00 175.52 176.18 1or6 h THR 166 N 0.83 1.07 0.40 0.00 1.35 -1.10 0.38 112.91 115.84 1or6 h THR 166 Ca 0.21 -0.17 -0.02 0.00 -0.55 0.00 0.00 66.41 65.89 1or6 h THR 166 Cb 0.08 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.29 1or6 h THR 166 CO -0.03 0.07 -0.19 0.11 -0.25 0.00 0.00 175.52 175.23 1or6 h LYS 167 N 0.29 -0.52 -0.90 4.72 1.57 -0.79 -1.40 116.57 119.54 1or6 h LYS 167 Ca 0.08 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1or6 h LYS 167 Cb 0.00 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1or6 h LYS 167 CO -0.01 -0.21 0.59 0.97 -0.57 0.00 0.00 179.45 180.22 1or6 h ILE 168 N -0.89 1.14 -0.05 1.86 6.09 -0.90 -1.72 117.51 123.05 1or6 h ILE 168 Ca -0.06 -0.38 -0.08 0.00 -1.37 0.00 0.00 64.86 62.97 1or6 h ILE 168 Cb 0.55 -0.07 -0.01 0.00 0.47 0.00 0.00 36.82 37.76 1or6 h ILE 168 CO 0.09 0.20 -0.34 -0.07 -3.07 0.00 0.00 178.15 174.97 1or6 h LEU 169 N 1.12 0.09 -0.25 2.19 3.38 -0.93 -1.12 115.31 119.80 1or6 h LEU 169 Ca 0.36 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.21 1or6 h LEU 169 Cb 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1or6 h LEU 169 CO -0.11 0.43 -0.19 -1.13 0.09 0.00 0.00 178.44 177.52 1or6 h ASN 170 N 0.08 0.59 -0.46 -0.43 -1.24 -0.38 -2.62 115.58 111.12 1or6 h ASN 170 Ca 0.01 -0.45 -0.01 0.00 0.71 0.00 0.00 56.30 56.56 1or6 h ASN 170 Cb 0.64 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.50 1or6 h ASN 170 CO 0.05 0.92 0.26 0.25 -1.29 0.00 0.00 177.43 177.61 1or6 h LEU 171 N 0.27 0.59 -0.12 0.34 5.85 -1.10 0.85 115.31 121.99 1or6 h LEU 171 Ca 0.05 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1or6 h LEU 171 Cb 0.73 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1or6 h LEU 171 CO 0.05 0.49 0.08 -0.33 -0.34 0.00 0.00 178.44 178.39 1or6 h GLU 172 N 0.67 0.16 -0.23 1.25 4.39 -0.97 -0.14 114.58 119.72 1or6 h GLU 172 Ca 0.17 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.80 1or6 h GLU 172 Cb 0.03 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1or6 h GLU 172 CO -0.03 0.11 -0.14 1.96 -1.16 0.00 0.00 179.01 179.75 1or6 h GLN 173 N 0.17 0.39 -0.41 2.33 4.20 -0.99 -1.36 115.11 119.43 1or6 h GLN 173 Ca 0.05 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 1or6 h GLN 173 Cb -0.02 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1or6 h GLN 173 CO -0.01 0.53 -0.00 1.96 -0.67 0.00 0.00 178.83 180.63 1or6 h GLN 174 N 0.36 0.73 -0.03 1.46 4.20 -0.29 -3.05 115.11 118.49 1or6 h GLN 174 Ca 0.07 -0.23 -0.22 0.00 0.06 0.00 0.00 58.65 58.32 1or6 h GLN 174 Cb 0.46 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1or6 h GLN 174 CO 0.03 0.81 -0.90 -0.07 -0.67 0.00 0.00 178.83 178.03 1or6 h LEU 175 N 0.56 0.60 -1.14 1.46 3.38 -0.80 -2.47 115.31 116.90 1or6 h LEU 175 Ca 0.12 -0.46 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 1or6 h LEU 175 Cb 0.49 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1or6 h LEU 175 CO 0.02 1.25 -0.26 1.62 0.09 0.00 0.00 178.44 181.15 1or6 h VAL 176 N 0.29 1.25 -0.12 1.22 3.04 -1.29 -3.09 116.25 117.54 1or6 h VAL 176 Ca -0.07 -1.16 -0.00 0.00 -1.01 0.00 0.00 66.70 64.45 1or6 h VAL 176 Cb 1.52 1.43 -0.00 0.00 -2.01 0.00 0.00 31.29 32.23 1or6 h VAL 176 CO 0.16 0.35 -0.01 0.00 -1.01 0.00 0.00 177.57 177.07 1or6 n LEU 177 N -4.15 3.07 0.00 3.16 -0.00 -1.15 -4.64 117.00 113.28 1or6 n LEU 177 Ca -0.01 -3.08 0.00 0.00 -0.00 0.00 0.00 56.01 52.92 1or6 n LEU 177 Cb 0.37 -0.49 0.00 0.00 -0.00 0.00 0.00 43.42 43.31 1or6 n LEU 177 CO 0.40 0.71 0.13 1.21 -0.00 0.00 0.00 177.39 179.84