#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c80 s ARG 2 N 0.00 0.32 0.12 2.12 1.70 -1.26 -4.97 118.95 116.98 1c80 s ARG 2 Ca 0.00 -0.09 0.09 0.00 -0.47 0.00 0.00 55.73 55.26 1c80 s ARG 2 Cb 0.00 -0.35 -0.04 0.00 -0.57 0.00 0.00 34.95 33.99 1c80 s ARG 2 CO 0.00 0.03 -0.21 -1.12 -1.08 0.00 0.00 175.30 172.92 1c80 s SER 3 N 0.19 2.64 -0.32 -2.89 0.01 -1.26 -4.18 113.70 107.89 1c80 s SER 3 Ca -0.02 -0.73 -0.01 0.00 1.31 0.00 0.00 55.95 56.50 1c80 s SER 3 Cb -0.05 -0.15 0.06 0.00 0.21 0.00 0.00 66.02 66.10 1c80 s SER 3 CO -0.00 0.05 0.03 -0.63 0.41 0.00 0.00 173.24 173.10 1c80 s ILE 4 N -1.34 2.95 -0.72 1.44 -1.09 0.10 -2.29 121.20 120.25 1c80 s ILE 4 Ca 0.09 -1.58 -0.21 0.00 -2.23 0.00 0.00 60.65 56.72 1c80 s ILE 4 Cb -0.09 -2.79 0.09 0.00 -1.58 0.00 0.00 42.46 38.09 1c80 s ILE 4 CO 0.05 -0.24 0.97 -0.31 -1.23 0.00 0.00 174.94 174.17 1c80 s TYR 5 N 1.20 2.85 -0.13 3.97 2.02 0.65 -0.49 117.35 127.42 1c80 s TYR 5 Ca -0.02 -0.85 -0.17 0.00 -0.37 0.00 0.00 57.07 55.65 1c80 s TYR 5 Cb -0.20 -4.25 -0.04 0.00 -0.40 0.00 0.00 41.96 37.07 1c80 s TYR 5 CO -0.02 -1.55 0.45 -0.51 -1.57 0.00 0.00 175.55 172.35 1c80 s LEU 6 N 3.46 4.26 0.05 -1.29 1.43 -0.46 -0.98 118.68 125.14 1c80 s LEU 6 Ca 0.23 0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 53.93 1c80 s LEU 6 Cb -0.15 -2.64 0.03 0.00 0.03 0.00 0.00 46.19 43.46 1c80 s LEU 6 CO 0.04 0.01 0.35 0.00 0.23 0.00 0.00 176.35 176.97 1c80 s ARG 8 N -2.65 3.70 0.99 0.00 3.52 -1.26 -0.54 118.95 122.71 1c80 s ARG 8 Ca -0.04 0.36 -0.11 0.00 -0.13 0.00 0.00 55.73 55.81 1c80 s ARG 8 Cb -0.00 -2.40 0.18 0.00 -1.56 0.00 0.00 34.95 31.16 1c80 s ARG 8 CO -0.04 -0.07 1.07 -2.39 -0.81 0.00 0.00 175.30 173.06 1c80 n HIS 9 N -1.55 0.18 -2.18 5.12 1.44 -0.06 -4.67 115.22 113.50 1c80 n HIS 9 Ca 0.02 0.24 -0.37 0.00 -2.01 0.00 0.00 57.72 55.60 1c80 n HIS 9 Cb 0.54 -1.91 0.00 0.00 0.12 0.00 0.00 29.99 28.75 1c80 n HIS 9 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1c80 s GLY 10 N -2.54 2.77 -0.08 -1.39 0.00 -1.26 -4.66 107.32 100.16 1c80 s GLY 10 Ca 0.67 0.98 -0.33 0.00 0.00 0.00 0.00 44.72 46.04 1c80 s GLY 10 CO 0.60 1.43 0.93 -2.21 0.00 0.00 0.00 173.10 173.85 1c80 n GLU 11 N -0.72 0.00 -3.12 2.90 2.13 -1.26 -4.75 120.64 115.82 1c80 n GLU 11 Ca 0.09 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.71 1c80 n GLU 11 Cb 0.48 -1.19 0.01 0.00 0.27 0.00 0.00 31.44 31.01 1c80 n GLU 11 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1c80 s SER 12 N 0.47 5.74 0.15 4.31 1.04 -1.26 -0.99 113.70 123.16 1c80 s SER 12 Ca 0.75 -0.15 -0.16 0.00 0.48 0.00 0.00 55.95 56.86 1c80 s SER 12 Cb -1.05 -1.05 0.01 0.00 0.10 0.00 0.00 66.02 64.04 1c80 s SER 12 CO 0.49 -0.69 1.81 -0.33 0.98 0.00 0.00 173.24 175.50 1c80 h GLU 13 N 0.60 0.54 -0.23 4.02 4.39 -1.51 -2.32 114.58 120.07 1c80 h GLU 13 Ca -0.43 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.20 1c80 h GLU 13 Cb 1.27 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1c80 h GLU 13 CO 0.51 0.37 0.00 -0.07 -1.16 0.00 0.00 179.01 178.66 1c80 h LEU 14 N 0.55 0.31 -0.36 1.33 3.38 -1.89 -2.00 115.31 116.63 1c80 h LEU 14 Ca 0.15 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1c80 h LEU 14 Cb -0.05 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1c80 h LEU 14 CO -0.03 0.37 0.20 0.78 0.09 0.00 0.00 178.44 179.85 1c80 h ASN 15 N 0.34 0.45 0.36 -0.43 -0.26 -1.60 -1.72 115.58 112.71 1c80 h ASN 15 Ca 0.08 -0.08 -0.04 0.00 -0.56 0.00 0.00 56.30 55.69 1c80 h ASN 15 Cb 0.22 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 1c80 h ASN 15 CO 0.00 0.40 -0.21 0.25 -1.06 0.00 0.00 177.43 176.82 1c80 h LEU 16 N 0.46 0.00 -0.57 1.61 5.85 -1.00 -3.07 115.31 118.60 1c80 h LEU 16 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1c80 h LEU 16 Cb 0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1c80 h LEU 16 CO -0.02 0.21 -0.31 0.54 -0.34 0.00 0.00 178.44 178.52 1c80 n ARG 17 N -3.91 0.88 0.00 1.25 1.74 -0.80 -4.96 116.66 110.85 1c80 n ARG 17 Ca -0.02 -0.57 0.00 0.00 -0.77 0.00 0.00 57.85 56.50 1c80 n ARG 17 Cb 0.29 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1c80 n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1c80 n GLY 18 N 1.36 0.88 3.48 -0.13 0.00 -0.95 -5.02 105.19 104.80 1c80 n GLY 18 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1c80 n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c80 s ARG 19 N -0.92 1.83 0.32 1.61 0.52 -0.69 -4.08 118.95 117.55 1c80 s ARG 19 Ca 0.00 -1.14 0.00 0.00 -0.52 0.00 0.00 55.73 54.07 1c80 s ARG 19 Cb 0.00 -2.12 -0.03 0.00 0.52 0.00 0.00 34.95 33.31 1c80 s ARG 19 CO 0.00 0.49 0.52 0.96 0.02 0.00 0.00 175.30 177.29 1c80 s ILE 20 N -1.09 5.12 0.00 1.52 -4.36 -0.98 -4.23 121.20 117.17 1c80 s ILE 20 Ca 0.17 -0.45 0.00 0.00 -0.26 0.00 0.00 60.65 60.11 1c80 s ILE 20 Cb -0.11 -3.84 0.00 0.00 1.25 0.00 0.00 42.46 39.76 1c80 s ILE 20 CO 0.09 -0.49 0.00 0.61 0.24 0.00 0.00 174.94 175.39 1c80 n GLY 21 N -1.59 1.13 1.17 6.27 0.00 -1.26 0.02 105.19 110.93 1c80 n GLY 21 Ca -0.05 -0.64 0.03 0.00 0.00 0.00 0.00 46.02 45.37 1c80 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c80 n GLY 22 N 0.00 -2.16 2.36 -0.02 0.00 -1.26 -4.74 105.19 99.36 1c80 n GLY 22 Ca 0.00 -1.45 -0.21 0.00 0.00 0.00 0.00 46.02 44.36 1c80 n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1c80 n ASP 23 N -1.34 1.63 -4.94 1.61 2.03 -1.26 -5.04 116.55 109.24 1c80 n ASP 23 Ca 0.00 -3.14 -0.24 0.00 0.52 0.00 0.00 54.79 51.93 1c80 n ASP 23 Cb 0.10 -0.61 0.02 0.00 -0.72 0.00 0.00 41.12 39.92 1c80 n ASP 23 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1c80 s SER 24 N -2.54 5.64 0.58 1.67 1.04 -1.26 -4.76 113.70 114.06 1c80 s SER 24 Ca 0.41 0.42 0.03 0.00 0.48 0.00 0.00 55.95 57.29 1c80 s SER 24 Cb 0.31 -1.51 0.06 0.00 0.10 0.00 0.00 66.02 64.99 1c80 s SER 24 CO -0.09 -0.93 0.80 -0.83 0.98 0.00 0.00 173.24 173.17 1c80 s GLY 25 N -4.29 1.82 0.29 7.32 0.00 -1.26 -3.24 107.32 107.96 1c80 s GLY 25 Ca 0.52 -1.56 -0.29 0.00 0.00 0.00 0.00 44.72 43.39 1c80 s GLY 25 CO 0.41 -1.20 1.35 1.08 0.00 0.00 0.00 173.10 174.73 1c80 s LEU 26 N -4.79 4.41 0.95 0.66 1.43 -1.26 -1.35 118.68 118.74 1c80 s LEU 26 Ca 0.60 2.65 -0.14 0.00 -1.03 0.00 0.00 54.13 56.21 1c80 s LEU 26 Cb -0.09 -3.64 0.16 0.00 0.03 0.00 0.00 46.19 42.66 1c80 s LEU 26 CO 0.39 -0.58 1.16 -0.94 0.23 0.00 0.00 176.35 176.60 1c80 s SER 27 N -0.12 3.15 0.31 2.29 1.04 -0.16 -4.67 113.70 115.54 1c80 s SER 27 Ca 0.53 0.83 0.02 0.00 0.48 0.00 0.00 55.95 57.81 1c80 s SER 27 Cb -0.40 -1.30 0.56 0.00 0.10 0.00 0.00 66.02 64.98 1c80 s SER 27 CO 0.48 -2.76 1.91 0.00 0.98 0.00 0.00 173.24 173.85 1c80 h ALA 28 N -1.65 1.55 -0.17 5.32 0.00 -1.96 0.16 119.26 122.52 1c80 h ALA 28 Ca -0.49 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 1c80 h ALA 28 Cb 1.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1c80 h ALA 28 CO 0.56 0.32 -0.52 -0.09 0.00 0.00 0.00 179.25 179.51 1c80 h ARG 29 N 0.99 0.48 -0.52 0.00 2.43 -1.91 -1.86 114.38 113.99 1c80 h ARG 29 Ca 0.39 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1c80 h ARG 29 Cb 0.23 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1c80 h ARG 29 CO -0.15 0.89 0.22 0.78 -1.51 0.00 0.00 179.97 180.21 1c80 h GLY 30 N 1.14 0.83 1.02 2.80 0.00 -1.18 -1.79 103.07 105.88 1c80 h GLY 30 Ca 0.01 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1c80 h GLY 30 CO 0.09 0.41 0.60 0.50 0.00 0.00 0.00 176.54 178.15 1c80 h LYS 31 N 0.70 1.29 -0.60 4.80 1.57 -0.58 -1.31 116.57 122.45 1c80 h LYS 31 Ca 0.18 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1c80 h LYS 31 Cb 0.17 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 1c80 h LYS 31 CO -0.02 0.89 0.32 1.96 -0.57 0.00 0.00 179.45 182.03 1c80 h GLN 32 N 1.32 0.83 -0.31 3.15 1.08 -0.87 -0.98 115.11 119.33 1c80 h GLN 32 Ca 0.35 -0.09 -0.12 0.00 -1.45 0.00 0.00 58.65 57.34 1c80 h GLN 32 Cb -0.09 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.16 1c80 h GLN 32 CO -0.07 0.62 -0.29 -0.92 -0.95 0.00 0.00 178.83 177.22 1c80 h TYR 33 N 0.84 0.74 -0.97 2.96 3.20 -0.43 -1.12 116.97 122.19 1c80 h TYR 33 Ca 0.21 -0.18 0.05 0.00 3.14 0.00 0.00 58.73 61.96 1c80 h TYR 33 Cb 0.04 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.07 1c80 h TYR 33 CO 0.01 0.86 0.62 0.00 -1.64 0.00 0.00 178.16 178.01 1c80 h ALA 34 N 1.13 1.32 -0.13 1.82 0.00 -0.21 0.20 119.26 123.39 1c80 h ALA 34 Ca 0.07 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 1c80 h ALA 34 Cb 0.77 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1c80 h ALA 34 CO 0.06 0.45 -0.77 1.88 0.00 0.00 0.00 179.25 180.87 1c80 h TYR 35 N 1.16 0.93 -0.55 0.00 0.05 -1.08 -2.39 116.97 115.09 1c80 h TYR 35 Ca 0.41 -0.41 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1c80 h TYR 35 Cb 0.10 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 1c80 h TYR 35 CO -0.01 1.22 0.20 0.00 -1.05 0.00 0.00 178.16 178.52 1c80 h ALA 36 N 0.66 0.72 -0.92 3.88 0.00 -0.62 -1.65 119.26 121.33 1c80 h ALA 36 Ca -0.05 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1c80 h ALA 36 Cb 1.38 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1c80 h ALA 36 CO 0.15 0.36 0.61 1.25 0.00 0.00 0.00 179.25 181.62 1c80 h LEU 37 N 0.77 1.03 -0.60 0.00 5.85 -0.59 -0.41 115.31 121.36 1c80 h LEU 37 Ca 0.18 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1c80 h LEU 37 Cb 0.25 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1c80 h LEU 37 CO -0.01 0.73 0.24 0.00 -0.34 0.00 0.00 178.44 179.06 1c80 h ALA 38 N 1.35 0.78 -0.67 1.25 0.00 -0.98 -0.94 119.26 120.05 1c80 h ALA 38 Ca 0.35 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1c80 h ALA 38 Cb -0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1c80 h ALA 38 CO -0.09 0.40 0.20 -0.91 0.00 0.00 0.00 179.25 178.85 1c80 h ASN 39 N 0.84 0.98 -0.22 0.00 2.35 -0.60 -2.61 115.58 116.32 1c80 h ASN 39 Ca 0.20 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1c80 h ASN 39 Cb 0.21 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1c80 h ASN 39 CO -0.02 0.94 0.09 0.15 -1.65 0.00 0.00 177.43 176.94 1c80 h PHE 40 N 0.98 0.32 -0.47 1.19 3.57 -0.76 -2.42 116.94 119.34 1c80 h PHE 40 Ca 0.21 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.77 1c80 h PHE 40 Cb 0.31 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 1c80 h PHE 40 CO 0.02 0.35 0.12 0.82 -2.23 0.00 0.00 178.31 177.39 1c80 h ILE 41 N 0.20 0.77 -0.47 1.41 1.08 -1.03 -1.90 117.51 117.58 1c80 h ILE 41 Ca 0.07 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 1c80 h ILE 41 Cb 0.16 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.37 1c80 h ILE 41 CO -0.01 0.05 0.26 -0.09 -0.69 0.00 0.00 178.15 177.67 1c80 h ARG 42 N 0.27 0.65 -0.10 2.37 2.43 -1.37 -1.78 114.38 116.84 1c80 h ARG 42 Ca 0.23 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1c80 h ARG 42 Cb 0.29 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1c80 h ARG 42 CO -0.28 0.50 0.11 0.77 -1.51 0.00 0.00 179.97 179.56 1c80 h SER 43 N 0.61 0.00 0.77 -3.80 0.02 -0.88 -0.68 113.55 109.60 1c80 h SER 43 Ca 0.16 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.05 1c80 h SER 43 Cb 0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1c80 h SER 43 CO -0.03 0.00 -0.31 1.56 -1.14 0.00 0.00 176.83 176.91 1c80 h GLN 44 N 0.00 0.00 -2.51 3.45 1.08 -0.57 -3.47 115.11 113.09 1c80 h GLN 44 Ca 0.05 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.91 1c80 h GLN 44 Cb 0.26 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1c80 h GLN 44 CO -0.00 0.31 -0.44 0.41 -0.95 0.00 0.00 178.83 178.16 1c80 n GLY 45 N 0.06 -0.33 3.77 3.46 0.00 -0.26 -4.95 105.19 106.93 1c80 n GLY 45 Ca -0.00 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1c80 n GLY 45 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1c80 s ILE 46 N -2.86 2.40 0.29 -0.61 -5.25 -1.26 -5.03 121.20 108.88 1c80 s ILE 46 Ca 0.01 0.37 -0.09 0.00 -0.99 0.00 0.00 60.65 59.96 1c80 s ILE 46 Cb -0.01 -3.22 -0.07 0.00 2.95 0.00 0.00 42.46 42.12 1c80 s ILE 46 CO 0.02 0.06 0.61 -0.94 -1.79 0.00 0.00 174.94 172.89 1c80 s SER 47 N -0.59 6.56 0.00 4.36 1.04 -1.26 -4.68 113.70 119.13 1c80 s SER 47 Ca 0.57 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.92 1c80 s SER 47 Cb -0.41 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1c80 s SER 47 CO 0.53 -0.19 0.00 -1.54 0.98 0.00 0.00 173.24 173.02 1c80 n SER 48 N -0.64 0.00 -4.74 7.02 3.41 -1.26 -4.82 113.62 112.58 1c80 n SER 48 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 1c80 n SER 48 Cb 0.53 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.43 1c80 n SER 48 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1c80 s LEU 49 N -0.67 4.49 -0.23 1.04 2.96 -1.26 -4.63 118.68 120.39 1c80 s LEU 49 Ca 0.00 1.62 -0.06 0.00 -0.22 0.00 0.00 54.13 55.47 1c80 s LEU 49 Cb 0.00 -3.39 -0.03 0.00 0.50 0.00 0.00 46.19 43.28 1c80 s LEU 49 CO 0.00 0.01 0.04 -0.54 -1.32 0.00 0.00 176.35 174.54 1c80 s LYS 50 N -0.19 3.63 -0.23 1.98 -0.14 -1.04 -4.98 119.74 118.77 1c80 s LYS 50 Ca 0.41 -0.50 -0.10 0.00 -1.36 0.00 0.00 55.97 54.43 1c80 s LYS 50 Cb -0.22 -3.21 -0.05 0.00 -1.68 0.00 0.00 37.83 32.67 1c80 s LYS 50 CO 0.26 -0.10 0.13 0.08 -0.76 0.00 0.00 175.35 174.97 1c80 s VAL 51 N 1.34 5.13 -0.05 3.17 1.01 -1.26 -0.37 120.40 129.36 1c80 s VAL 51 Ca 0.05 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.17 1c80 s VAL 51 Cb -0.15 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1c80 s VAL 51 CO 0.02 0.36 -0.20 0.26 0.00 0.00 0.00 175.10 175.54 1c80 s TRP 52 N 1.03 2.55 0.34 5.22 0.52 -0.08 -1.72 118.94 126.81 1c80 s TRP 52 Ca 0.06 -0.45 0.05 0.00 0.02 0.00 0.00 56.10 55.78 1c80 s TRP 52 Cb -0.14 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.54 1c80 s TRP 52 CO 0.04 -0.03 0.20 0.95 0.02 0.00 0.00 176.95 178.13 1c80 s THR 53 N -0.40 0.24 0.04 2.01 -4.23 -0.68 -1.29 115.64 111.33 1c80 s THR 53 Ca 0.04 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 1c80 s THR 53 Cb -0.12 -2.46 0.01 0.00 1.34 0.00 0.00 72.50 71.27 1c80 s THR 53 CO 0.02 0.00 0.06 -1.54 -0.54 0.00 0.00 174.62 172.61 1c80 n SER 54 N -1.26 0.14 -0.57 3.99 3.41 -1.26 -0.65 113.62 117.42 1c80 n SER 54 Ca 0.02 -1.10 0.13 0.00 -0.26 0.00 0.00 58.87 57.66 1c80 n SER 54 Cb 0.64 -0.03 0.44 0.00 -0.26 0.00 0.00 64.21 65.00 1c80 n SER 54 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1c80 n HIS 55 N -1.13 0.05 -2.58 7.33 8.25 -1.25 -4.43 115.22 121.45 1c80 n HIS 55 Ca 0.01 -0.02 -0.40 0.00 -0.26 0.00 0.00 57.72 57.05 1c80 n HIS 55 Cb 0.04 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.10 1c80 n HIS 55 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1c80 s MET 56 N -1.95 4.66 0.27 -0.41 -1.94 -1.26 -4.95 119.30 113.72 1c80 s MET 56 Ca 0.36 1.66 0.01 0.00 -1.71 0.00 0.00 55.69 56.01 1c80 s MET 56 Cb 0.20 -3.14 0.58 0.00 2.01 0.00 0.00 34.83 34.48 1c80 s MET 56 CO 0.32 0.28 1.78 0.87 -0.01 0.00 0.00 175.02 178.26 1c80 h LYS 57 N 3.77 0.71 -0.53 2.03 6.56 -1.85 -2.13 116.57 125.11 1c80 h LYS 57 Ca -0.46 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.08 1c80 h LYS 57 Cb 1.21 -0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 32.68 1c80 h LYS 57 CO 0.67 0.47 0.32 0.07 -2.06 0.00 0.00 179.45 178.91 1c80 h ARG 58 N 0.73 0.72 0.16 3.15 0.11 -1.89 -1.29 114.38 116.07 1c80 h ARG 58 Ca 0.49 -0.06 -0.31 0.00 0.10 0.00 0.00 59.98 60.20 1c80 h ARG 58 Cb 0.67 -0.15 0.03 0.00 1.11 0.00 0.00 29.97 31.63 1c80 h ARG 58 CO -0.35 0.51 -1.32 1.79 0.10 0.00 0.00 179.97 180.70 1c80 h THR 59 N 0.73 1.28 0.14 0.08 1.35 -1.72 -3.13 112.91 111.64 1c80 h THR 59 Ca 0.19 -2.54 0.00 0.00 -0.55 0.00 0.00 66.41 63.51 1c80 h THR 59 Cb -0.02 2.80 -0.01 0.00 -1.73 0.00 0.00 68.15 69.19 1c80 h THR 59 CO -0.04 0.77 -0.13 0.40 -0.25 0.00 0.00 175.52 176.28 1c80 h ILE 60 N 0.24 0.72 -0.74 6.82 2.04 -1.30 -1.81 117.51 123.48 1c80 h ILE 60 Ca -0.21 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.78 1c80 h ILE 60 Cb 2.00 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 38.75 1c80 h ILE 60 CO 0.25 0.00 0.49 1.56 0.00 0.00 0.00 178.15 180.45 1c80 h GLN 61 N -0.28 0.45 -0.15 2.37 4.20 -1.35 -0.18 115.11 120.17 1c80 h GLN 61 Ca 0.00 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 1c80 h GLN 61 Cb 0.27 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1c80 h GLN 61 CO -0.03 0.30 -0.32 1.15 -0.67 0.00 0.00 178.83 179.26 1c80 h THR 62 N 0.46 1.36 -0.76 -0.54 2.02 -1.38 -3.24 112.91 110.82 1c80 h THR 62 Ca 0.36 -1.58 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 1c80 h THR 62 Cb 0.74 1.99 -0.04 0.00 -1.74 0.00 0.00 68.15 69.10 1c80 h THR 62 CO -0.12 0.48 0.43 0.00 0.37 0.00 0.00 175.52 176.67 1c80 h ALA 63 N 0.56 0.97 -0.98 6.16 0.00 -0.37 -2.92 119.26 122.67 1c80 h ALA 63 Ca 0.00 -0.11 0.19 0.00 0.00 0.00 0.00 54.91 55.00 1c80 h ALA 63 Cb 0.92 -0.30 -0.11 0.00 0.00 0.00 0.00 17.79 18.30 1c80 h ALA 63 CO 0.07 0.47 0.58 0.93 0.00 0.00 0.00 179.25 181.30 1c80 h GLU 64 N 1.04 0.69 0.00 0.00 5.08 -1.12 0.13 114.58 120.41 1c80 h GLU 64 Ca 0.27 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1c80 h GLU 64 Cb 0.01 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1c80 h GLU 64 CO -0.05 0.46 -0.03 0.00 -1.00 0.00 0.00 179.01 178.40 1c80 h ALA 65 N 1.65 1.27 0.00 3.43 0.00 -1.58 -1.94 119.26 122.10 1c80 h ALA 65 Ca 0.58 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.42 1c80 h ALA 65 Cb 0.92 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1c80 h ALA 65 CO -0.40 0.03 -0.19 -0.07 0.00 0.00 0.00 179.25 178.62 1c80 h LEU 66 N 0.00 0.00 0.40 0.00 3.38 -0.84 -3.46 115.31 114.79 1c80 h LEU 66 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1c80 h LEU 66 Cb 0.10 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 1c80 h LEU 66 CO 0.00 0.19 -0.16 0.61 0.09 0.00 0.00 178.44 179.18 1c80 n GLY 67 N -0.01 1.02 3.29 0.83 0.00 -0.73 -5.01 105.19 104.59 1c80 n GLY 67 Ca -0.00 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.27 1c80 n GLY 67 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1c80 s VAL 68 N -2.28 1.52 0.64 1.61 -7.23 -1.26 -5.14 120.40 108.26 1c80 s VAL 68 Ca 0.00 -2.01 -0.16 0.00 -1.81 0.00 0.00 61.98 58.00 1c80 s VAL 68 Cb 0.00 -1.84 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 1c80 s VAL 68 CO 0.00 -0.54 1.14 -2.16 -0.31 0.00 0.00 175.10 173.23 1c80 s PRO 69 N -3.29 2.84 -0.06 4.82 0.04 -1.26 -4.87 135.00 133.23 1c80 s PRO 69 Ca 0.17 1.55 -0.16 0.00 0.04 0.00 0.00 61.00 62.60 1c80 s PRO 69 Cb -0.02 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.61 1c80 s PRO 69 CO 0.04 -1.25 0.37 1.52 0.04 0.00 0.00 177.00 177.72 1c80 s TYR 70 N -2.06 -0.30 -0.09 0.56 -0.85 -1.26 -4.33 117.35 109.02 1c80 s TYR 70 Ca 0.71 0.58 -0.03 0.00 -0.52 0.00 0.00 57.07 57.81 1c80 s TYR 70 Cb -0.24 0.14 -0.04 0.00 0.38 0.00 0.00 41.96 42.21 1c80 s TYR 70 CO 0.38 -0.35 0.04 -2.00 -1.52 0.00 0.00 175.55 172.09 1c80 s GLU 71 N -0.85 3.09 -0.07 -3.49 2.12 -0.70 -4.98 118.70 113.82 1c80 s GLU 71 Ca -0.09 -0.35 -0.12 0.00 0.36 0.00 0.00 54.97 54.77 1c80 s GLU 71 Cb -0.04 -2.89 -0.05 0.00 0.26 0.00 0.00 34.13 31.41 1c80 s GLU 71 CO 0.04 0.72 0.30 -0.65 -0.54 0.00 0.00 175.26 175.12 1c80 s GLN 72 N -0.99 3.81 -0.12 4.30 -0.21 -1.26 -1.69 119.66 123.50 1c80 s GLN 72 Ca 0.14 0.17 -0.00 0.00 0.02 0.00 0.00 55.36 55.69 1c80 s GLN 72 Cb -0.12 -3.25 0.02 0.00 1.00 0.00 0.00 33.01 30.67 1c80 s GLN 72 CO 0.04 0.64 -0.10 -1.58 -2.12 0.00 0.00 175.29 172.17 1c80 s TRP 73 N -0.79 1.71 0.28 0.91 0.52 0.17 -4.95 118.94 116.79 1c80 s TRP 73 Ca 0.19 -0.89 0.26 0.00 0.02 0.00 0.00 56.10 55.69 1c80 s TRP 73 Cb -0.14 -1.34 1.19 0.00 -1.15 0.00 0.00 33.47 32.02 1c80 s TRP 73 CO 0.08 -0.55 1.95 0.87 0.02 0.00 0.00 176.95 179.32 1c80 h LYS 74 N 8.08 0.00 0.00 4.98 1.57 -1.92 -2.06 116.57 127.23 1c80 h LYS 74 Ca -0.33 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1c80 h LYS 74 Cb 1.13 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 1c80 h LYS 74 CO 0.45 0.18 -0.07 0.00 -0.57 0.00 0.00 179.45 179.44 1c80 h ALA 75 N 1.82 1.06 -0.02 3.86 0.00 -1.95 -2.52 119.26 121.53 1c80 h ALA 75 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1c80 h ALA 75 Cb 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1c80 h ALA 75 CO 0.02 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.64 1c80 n LEU 76 N -3.26 1.15 -4.76 0.00 4.77 -0.77 -4.64 117.00 109.49 1c80 n LEU 76 Ca -0.01 -0.39 -0.38 0.00 -0.03 0.00 0.00 56.01 55.20 1c80 n LEU 76 Cb 0.28 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1c80 n LEU 76 CO 0.28 0.20 0.95 0.20 -1.33 0.00 0.00 177.39 177.68 1c80 s ASN 77 N -1.96 5.63 0.65 -1.43 -0.87 -0.95 -4.60 114.94 111.41 1c80 s ASN 77 Ca 0.40 2.65 -0.17 0.00 -1.57 0.00 0.00 52.86 54.16 1c80 s ASN 77 Cb 0.21 -2.63 -0.01 0.00 -0.02 0.00 0.00 41.25 38.80 1c80 s ASN 77 CO 0.34 -1.32 1.24 -0.70 -2.57 0.00 0.00 177.10 174.09 1c80 s GLU 78 N -2.77 2.59 0.18 -0.60 2.56 -1.26 -4.90 118.70 114.49 1c80 s GLU 78 Ca 0.68 1.90 -0.33 0.00 0.00 0.00 0.00 54.97 57.21 1c80 s GLU 78 Cb -0.37 -1.87 -0.14 0.00 2.00 0.00 0.00 34.13 33.75 1c80 s GLU 78 CO 0.45 -1.53 1.51 1.51 -0.56 0.00 0.00 175.26 176.64 1c80 n ILE 79 N -2.02 0.27 -2.39 -3.70 3.06 -1.26 -4.91 119.36 108.41 1c80 n ILE 79 Ca 0.14 -0.07 -0.43 0.00 -2.50 0.00 0.00 62.75 59.90 1c80 n ILE 79 Cb 0.49 -1.45 -0.02 0.00 0.54 0.00 0.00 39.64 39.20 1c80 n ILE 79 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1c80 s ASP 80 N 0.69 6.96 0.00 9.51 -1.08 -1.26 -4.86 116.67 126.62 1c80 s ASP 80 Ca 0.76 1.82 0.23 0.00 -0.52 0.00 0.00 52.55 54.85 1c80 s ASP 80 Cb -0.70 -2.55 1.03 0.00 -1.46 0.00 0.00 42.92 39.24 1c80 s ASP 80 CO 0.42 -0.69 1.71 0.00 0.52 0.00 0.00 175.17 177.12 1c80 n ALA 81 N 5.91 2.57 -0.75 3.66 0.00 -1.26 -1.61 120.51 129.04 1c80 n ALA 81 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1c80 n ALA 81 Cb 0.45 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1c80 n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c80 n GLY 82 N 1.05 3.67 0.19 0.00 0.00 -1.26 -0.94 105.19 107.89 1c80 n GLY 82 Ca 0.17 0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.44 1c80 n GLY 82 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1c80 h VAL 83 N 0.00 0.00 -0.50 1.61 3.04 -0.76 -2.25 116.25 117.39 1c80 h VAL 83 Ca 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1c80 h VAL 83 Cb 0.00 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.20 1c80 h VAL 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.56 1c80 n GLU 85 N 1.03 2.15 -1.40 0.00 -0.58 -0.85 -2.27 120.64 118.73 1c80 n GLU 85 Ca 0.18 0.78 -0.14 0.00 -0.42 0.00 0.00 57.16 57.56 1c80 n GLU 85 Cb 0.45 -2.55 -0.06 0.00 -0.57 0.00 0.00 31.44 28.71 1c80 n GLU 85 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1c80 n GLU 86 N 3.51 -1.11 -3.50 3.49 1.02 0.10 -4.95 120.64 119.21 1c80 n GLU 86 Ca 0.17 0.97 -0.21 0.00 -0.02 0.00 0.00 57.16 58.06 1c80 n GLU 86 Cb 0.29 -5.11 -0.01 0.00 -0.02 0.00 0.00 31.44 26.59 1c80 n GLU 86 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1c80 s MET 87 N -3.10 3.28 0.49 3.49 -1.94 -0.96 -4.66 119.30 115.91 1c80 s MET 87 Ca 0.00 -0.68 0.01 0.00 -1.71 0.00 0.00 55.69 53.31 1c80 s MET 87 Cb 0.00 -2.75 0.01 0.00 2.01 0.00 0.00 34.83 34.10 1c80 s MET 87 CO 0.00 0.12 0.71 0.95 -0.01 0.00 0.00 175.02 176.79 1c80 s THR 88 N -2.23 3.46 -1.08 2.05 -4.23 -1.26 -2.33 115.64 110.03 1c80 s THR 88 Ca 0.41 -0.58 0.14 0.00 -1.18 0.00 0.00 61.69 60.49 1c80 s THR 88 Cb -0.09 -3.28 0.14 0.00 1.34 0.00 0.00 72.50 70.61 1c80 s THR 88 CO 0.33 -0.20 1.45 0.00 -0.54 0.00 0.00 174.62 175.66 1c80 n TYR 89 N -2.17 0.00 -0.02 3.99 0.18 -1.26 -1.75 117.16 116.13 1c80 n TYR 89 Ca 0.04 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.60 1c80 n TYR 89 Cb 0.58 -0.46 -0.13 0.00 -0.38 0.00 0.00 39.34 38.95 1c80 n TYR 89 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1c80 n GLU 90 N -1.46 0.71 -0.18 -3.48 -0.58 -1.26 -2.60 120.64 111.79 1c80 n GLU 90 Ca 0.04 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 1c80 n GLU 90 Cb 0.16 -1.72 0.25 0.00 -0.57 0.00 0.00 31.44 29.56 1c80 n GLU 90 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1c80 h GLU 91 N -0.19 0.92 -0.10 3.49 5.08 -1.83 0.73 114.58 122.68 1c80 h GLU 91 Ca -0.41 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1c80 h GLU 91 Cb 1.86 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.91 1c80 h GLU 91 CO 0.01 0.65 0.01 0.82 -1.00 0.00 0.00 179.01 179.50 1c80 h ILE 92 N 0.93 1.24 -0.24 3.13 2.04 -1.43 -0.13 117.51 123.06 1c80 h ILE 92 Ca 0.24 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.37 1c80 h ILE 92 Cb -0.03 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1c80 h ILE 92 CO -0.05 0.21 0.16 1.56 0.00 0.00 0.00 178.15 180.04 1c80 h GLN 93 N -0.10 0.23 0.00 2.37 4.20 -1.12 0.61 115.11 121.30 1c80 h GLN 93 Ca 0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1c80 h GLN 93 Cb 0.33 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 1c80 h GLN 93 CO 0.00 0.16 -0.08 1.49 -0.67 0.00 0.00 178.83 179.73 1c80 h GLU 94 N 0.24 0.00 0.00 1.46 4.81 -0.67 -3.20 114.58 117.22 1c80 h GLU 94 Ca 0.09 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 1c80 h GLU 94 Cb 0.08 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1c80 h GLU 94 CO -0.02 0.82 -0.91 0.45 -0.73 0.00 0.00 179.01 178.63 1c80 h HIS 95 N -1.00 0.00 -2.09 0.92 3.86 -0.95 -3.39 115.15 112.50 1c80 h HIS 95 Ca -0.02 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.66 1c80 h HIS 95 Cb 0.85 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.91 1c80 h HIS 95 CO 0.22 0.43 -0.99 0.66 0.86 0.00 0.00 177.93 179.11 1c80 n TYR 96 N -3.00 1.36 -0.23 2.45 4.01 0.21 -4.96 117.16 116.99 1c80 n TYR 96 Ca -0.03 -3.85 -0.03 0.00 -0.16 0.00 0.00 57.90 53.83 1c80 n TYR 96 Cb 0.74 -0.44 0.15 0.00 -0.31 0.00 0.00 39.34 39.48 1c80 n TYR 96 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1c80 h PRO 97 N 3.30 1.05 -0.21 -0.72 0.13 -1.58 -2.33 132.00 131.64 1c80 h PRO 97 Ca 0.11 -0.15 -0.19 0.00 -0.87 0.00 0.00 66.00 64.89 1c80 h PRO 97 Cb 0.81 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.75 1c80 h PRO 97 CO 0.60 0.82 -0.64 0.93 -0.23 0.00 0.00 178.00 179.49 1c80 h GLU 98 N 1.04 0.75 -0.41 0.86 4.39 -1.91 -2.94 114.58 116.36 1c80 h GLU 98 Ca 0.25 -0.53 -0.00 0.00 0.34 0.00 0.00 59.36 59.41 1c80 h GLU 98 Cb 0.13 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1c80 h GLU 98 CO -0.03 1.15 0.24 0.93 -1.16 0.00 0.00 179.01 180.14 1c80 h GLU 99 N 0.55 0.57 -0.59 2.33 3.07 -1.91 -1.12 114.58 117.48 1c80 h GLU 99 Ca -0.01 -0.06 0.04 0.00 -0.50 0.00 0.00 59.36 58.83 1c80 h GLU 99 Cb 1.24 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.99 1c80 h GLU 99 CO 0.13 0.43 0.34 0.35 -1.40 0.00 0.00 179.01 178.86 1c80 h PHE 100 N 0.54 0.62 -0.34 4.33 3.57 -1.41 -1.64 116.94 122.61 1c80 h PHE 100 Ca 0.15 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 1c80 h PHE 100 Cb 0.02 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1c80 h PHE 100 CO -0.03 0.33 0.03 0.00 -2.23 0.00 0.00 178.31 176.41 1c80 h ALA 101 N 1.28 0.46 -0.95 2.41 0.00 -1.29 -3.04 119.26 118.13 1c80 h ALA 101 Ca 0.25 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1c80 h ALA 101 Cb 0.09 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1c80 h ALA 101 CO -0.14 0.18 0.62 1.25 0.00 0.00 0.00 179.25 181.17 1c80 h LEU 102 N 0.40 1.01 -1.22 0.00 7.12 -0.89 -1.90 115.31 119.84 1c80 h LEU 102 Ca 0.10 -0.00 0.01 0.00 0.13 0.00 0.00 57.88 58.12 1c80 h LEU 102 Cb 0.39 -0.22 -0.04 0.00 -0.53 0.00 0.00 40.66 40.26 1c80 h LEU 102 CO 0.01 0.67 0.53 -0.09 -0.13 0.00 0.00 178.44 179.44 1c80 h ARG 103 N 1.16 1.04 0.00 1.25 2.43 -1.19 -1.89 114.38 117.18 1c80 h ARG 103 Ca 0.39 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1c80 h ARG 103 Cb 0.08 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1c80 h ARG 103 CO -0.13 0.69 0.00 -0.44 -1.51 0.00 0.00 179.97 178.57 1c80 h ASP 104 N 1.07 0.00 0.31 -3.80 3.45 -1.30 -2.46 116.42 113.69 1c80 h ASP 104 Ca 0.30 0.00 -0.24 0.00 0.43 0.00 0.00 57.03 57.51 1c80 h ASP 104 Cb -0.10 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.68 1c80 h ASP 104 CO -0.07 0.00 -1.02 1.56 -1.57 0.00 0.00 179.24 178.14 1c80 h GLN 105 N 0.00 0.45 -1.52 3.56 1.08 -1.38 -3.42 115.11 113.87 1c80 h GLN 105 Ca 0.00 -0.52 -0.17 0.00 -1.45 0.00 0.00 58.65 56.51 1c80 h GLN 105 Cb 0.17 0.16 -0.26 0.00 -0.05 0.00 0.00 27.48 27.49 1c80 h GLN 105 CO 0.00 1.17 -0.53 0.34 -0.95 0.00 0.00 178.83 178.87 1c80 s ASP 106 N -7.15 -0.09 0.47 1.46 3.68 -0.96 -5.02 116.67 109.06 1c80 s ASP 106 Ca -0.06 -0.62 0.26 0.00 2.13 0.00 0.00 52.55 54.25 1c80 s ASP 106 Cb 0.08 1.28 1.07 0.00 -1.45 0.00 0.00 42.92 43.91 1c80 s ASP 106 CO 0.88 -0.29 1.89 0.11 0.13 0.00 0.00 175.17 177.89 1c80 h LYS 107 N 7.70 0.00 0.01 4.34 1.79 -1.75 -1.72 116.57 126.94 1c80 h LYS 107 Ca -0.02 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.31 1c80 h LYS 107 Cb 1.13 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.79 1c80 h LYS 107 CO 0.20 0.18 -0.55 -0.92 -1.08 0.00 0.00 179.45 177.29 1c80 h TYR 108 N 0.00 0.53 -0.01 -1.35 3.20 -1.87 -3.35 116.97 114.11 1c80 h TYR 108 Ca -0.00 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.57 1c80 h TYR 108 Cb 0.64 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1c80 h TYR 108 CO 0.00 1.13 -0.36 0.54 -1.64 0.00 0.00 178.16 177.82 1c80 n ARG 109 N -4.27 0.85 -1.94 1.82 1.74 -1.21 -2.46 116.66 111.19 1c80 n ARG 109 Ca -0.11 -0.58 -0.42 0.00 -0.77 0.00 0.00 57.85 55.97 1c80 n ARG 109 Cb 0.66 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.58 1c80 n ARG 109 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1c80 s TYR 110 N -2.55 3.05 -0.09 -1.55 5.04 -0.65 -4.90 117.35 115.71 1c80 s TYR 110 Ca 0.21 0.68 0.03 0.00 -2.44 0.00 0.00 57.07 55.55 1c80 s TYR 110 Cb 0.19 -3.92 0.01 0.00 0.35 0.00 0.00 41.96 38.58 1c80 s TYR 110 CO 0.56 -3.33 -0.20 0.50 -1.34 0.00 0.00 175.55 171.74 1c80 s ARG 111 N 0.92 2.56 0.62 4.97 3.52 -1.26 -4.16 118.95 126.12 1c80 s ARG 111 Ca 0.69 -0.71 -0.18 0.00 -0.13 0.00 0.00 55.73 55.40 1c80 s ARG 111 Cb -0.44 -1.98 -0.02 0.00 -1.56 0.00 0.00 34.95 30.95 1c80 s ARG 111 CO 0.33 0.11 1.18 0.71 -0.81 0.00 0.00 175.30 176.83 1c80 s TYR 112 N 0.49 2.39 0.11 5.12 2.02 -1.16 -4.92 117.35 121.40 1c80 s TYR 112 Ca -0.17 1.54 -0.31 0.00 -0.37 0.00 0.00 57.07 57.76 1c80 s TYR 112 Cb -0.17 -3.41 -0.09 0.00 -0.40 0.00 0.00 41.96 37.89 1c80 s TYR 112 CO 0.07 -2.14 1.61 -2.14 -1.57 0.00 0.00 175.55 171.38 1c80 s PRO 113 N -3.53 4.21 -1.38 -1.71 0.02 -1.26 -1.11 135.00 130.24 1c80 s PRO 113 Ca 0.75 2.33 0.00 0.00 0.02 0.00 0.00 61.00 64.10 1c80 s PRO 113 Cb -0.28 -3.41 0.00 0.00 0.02 0.00 0.00 34.50 30.83 1c80 s PRO 113 CO 0.36 -0.67 0.00 1.63 -0.33 0.00 0.00 177.00 177.98 1c80 n LYS 114 N 4.90 -1.17 0.00 5.54 4.76 -1.26 -0.10 118.16 130.82 1c80 n LYS 114 Ca 0.15 0.94 0.00 0.00 -2.87 0.00 0.00 58.31 56.52 1c80 n LYS 114 Cb 0.40 -5.10 0.00 0.00 -1.84 0.00 0.00 35.03 28.49 1c80 n LYS 114 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1c80 n GLY 115 N -0.85 5.62 3.62 0.72 0.00 -0.27 -4.36 105.19 109.67 1c80 n GLY 115 Ca -0.13 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 1c80 n GLY 115 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1c80 s GLU 116 N 1.65 2.08 0.44 1.61 -1.05 -0.63 -4.54 118.70 118.26 1c80 s GLU 116 Ca 0.00 -2.31 0.01 0.00 -0.15 0.00 0.00 54.97 52.51 1c80 s GLU 116 Cb 0.00 -0.88 -0.00 0.00 -0.44 0.00 0.00 34.13 32.81 1c80 s GLU 116 CO 0.00 -0.50 0.02 -1.13 0.95 0.00 0.00 175.26 174.60 1c80 n SER 117 N -1.42 2.91 0.07 0.83 3.41 -1.26 -2.97 113.62 115.18 1c80 n SER 117 Ca -0.12 -2.99 -0.04 0.00 -0.26 0.00 0.00 58.87 55.46 1c80 n SER 117 Cb 0.65 0.42 0.17 0.00 -0.26 0.00 0.00 64.21 65.20 1c80 n SER 117 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1c80 h TYR 118 N 1.30 0.39 -0.20 7.33 0.05 -1.67 -1.58 116.97 122.59 1c80 h TYR 118 Ca -0.36 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.29 1c80 h TYR 118 Cb 1.14 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.79 1c80 h TYR 118 CO 0.00 0.72 0.08 1.49 -1.05 0.00 0.00 178.16 179.39 1c80 h GLU 119 N 0.26 0.31 -0.51 4.88 4.81 -1.84 -0.66 114.58 121.82 1c80 h GLU 119 Ca 0.02 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1c80 h GLU 119 Cb 0.90 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 1c80 h GLU 119 CO 0.07 0.38 0.34 -0.44 -0.73 0.00 0.00 179.01 178.63 1c80 h ASP 120 N 0.17 0.59 -0.91 1.04 3.32 -1.82 -2.57 116.42 116.24 1c80 h ASP 120 Ca 0.07 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1c80 h ASP 120 Cb 0.19 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1c80 h ASP 120 CO -0.00 0.43 0.53 0.25 -1.72 0.00 0.00 179.24 178.72 1c80 h LEU 121 N 0.69 1.11 -0.18 1.55 5.85 -1.06 -1.73 115.31 121.54 1c80 h LEU 121 Ca 0.19 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1c80 h LEU 121 Cb -0.08 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.64 1c80 h LEU 121 CO -0.04 0.86 -0.01 0.58 -0.34 0.00 0.00 178.44 179.49 1c80 h VAL 122 N 1.26 0.86 -0.59 1.05 2.07 -0.73 0.13 116.25 120.30 1c80 h VAL 122 Ca 0.32 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.87 1c80 h VAL 122 Cb -0.02 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1c80 h VAL 122 CO -0.06 0.01 0.34 -0.61 0.02 0.00 0.00 177.57 177.27 1c80 h GLN 123 N 0.05 0.63 -0.20 1.57 5.75 -1.21 -1.61 115.11 120.09 1c80 h GLN 123 Ca 0.09 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 1c80 h GLN 123 Cb 0.11 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 1c80 h GLN 123 CO -0.15 0.41 -0.02 -0.09 -2.65 0.00 0.00 178.83 176.33 1c80 h ARG 124 N 0.64 0.29 -0.01 1.69 2.43 -0.57 -2.61 114.38 116.25 1c80 h ARG 124 Ca 0.25 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1c80 h ARG 124 Cb 0.10 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1c80 h ARG 124 CO -0.14 0.34 -0.10 1.28 -1.51 0.00 0.00 179.97 179.84 1c80 n LEU 125 N -4.35 0.68 -0.09 3.80 4.77 0.37 -4.39 117.00 117.79 1c80 n LEU 125 Ca -0.00 -0.13 -0.08 0.00 -0.03 0.00 0.00 56.01 55.78 1c80 n LEU 125 Cb 0.20 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1c80 n LEU 125 CO 0.37 0.12 0.67 -0.08 -1.33 0.00 0.00 177.39 177.14 1c80 h GLU 126 N 0.92 -0.23 0.00 3.23 4.81 -1.04 -0.02 114.58 122.25 1c80 h GLU 126 Ca 0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1c80 h GLU 126 Cb 0.36 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1c80 h GLU 126 CO 0.00 -0.16 -0.10 -1.00 -0.73 0.00 0.00 179.01 177.03 1c80 h PRO 127 N -0.24 0.00 -0.09 0.92 0.13 -1.82 -2.15 132.00 128.75 1c80 h PRO 127 Ca 0.16 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.16 1c80 h PRO 127 Cb 0.50 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.63 1c80 h PRO 127 CO -0.47 0.10 -0.44 0.28 -0.23 0.00 0.00 178.00 177.24 1c80 h VAL 128 N 0.00 1.39 -0.81 1.56 2.07 -1.46 -2.54 116.25 116.46 1c80 h VAL 128 Ca -0.00 -1.80 0.01 0.00 0.82 0.00 0.00 66.70 65.73 1c80 h VAL 128 Cb 0.43 2.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.41 1c80 h VAL 128 CO 0.01 0.53 0.53 0.40 0.02 0.00 0.00 177.57 179.06 1c80 h ILE 129 N 0.03 1.21 0.39 4.57 2.04 -0.75 -0.39 117.51 124.61 1c80 h ILE 129 Ca -0.03 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1c80 h ILE 129 Cb 1.09 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1c80 h ILE 129 CO 0.09 0.21 -0.19 0.24 0.00 0.00 0.00 178.15 178.50 1c80 h MET 130 N 1.10 -0.50 -0.73 2.37 2.86 -1.37 0.77 114.93 119.42 1c80 h MET 130 Ca 0.29 0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.92 1c80 h MET 130 Cb -0.11 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1c80 h MET 130 CO -0.06 -0.27 0.27 1.49 1.06 0.00 0.00 176.91 179.40 1c80 h GLU 131 N -0.64 1.11 -0.77 1.72 4.57 -1.40 -1.42 114.58 117.74 1c80 h GLU 131 Ca -0.05 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1c80 h GLU 131 Cb 0.47 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.85 1c80 h GLU 131 CO 0.09 0.93 0.49 1.25 -1.18 0.00 0.00 179.01 180.58 1c80 h LEU 132 N 1.06 0.90 0.58 1.64 5.85 -0.98 -1.22 115.31 123.15 1c80 h LEU 132 Ca 0.24 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1c80 h LEU 132 Cb 0.25 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 41.06 1c80 h LEU 132 CO -0.01 0.68 -0.28 -0.08 -0.34 0.00 0.00 178.44 178.40 1c80 h GLU 133 N 1.06 -0.76 -0.22 1.25 4.57 -0.06 -3.06 114.58 117.36 1c80 h GLU 133 Ca 0.28 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 1c80 h GLU 133 Cb -0.08 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1c80 h GLU 133 CO -0.06 -0.45 0.00 2.89 -1.18 0.00 0.00 179.01 180.22 1c80 n ARG 134 N -5.36 0.78 -3.01 1.92 1.85 -0.61 -4.81 116.66 107.43 1c80 n ARG 134 Ca -0.12 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.54 1c80 n ARG 134 Cb 0.34 -1.11 0.06 0.00 -1.05 0.00 0.00 32.46 30.70 1c80 n ARG 134 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1c80 s GLN 135 N -1.72 2.36 0.00 2.89 -1.52 -0.48 -5.04 119.66 116.14 1c80 s GLN 135 Ca 0.00 -1.56 0.00 0.00 -1.95 0.00 0.00 55.36 51.85 1c80 s GLN 135 Cb 0.00 -2.65 0.00 0.00 -0.22 0.00 0.00 33.01 30.14 1c80 s GLN 135 CO 0.00 -0.80 0.00 0.39 -0.25 0.00 0.00 175.29 174.63 1c80 n GLU 136 N -2.21 0.00 -2.24 2.91 -0.58 -1.26 -4.99 120.64 112.26 1c80 n GLU 136 Ca 0.15 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.46 1c80 n GLU 136 Cb 0.61 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.46 1c80 n GLU 136 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1c80 s ASN 137 N -0.57 6.76 -0.03 1.62 0.02 -1.26 -4.54 114.94 116.94 1c80 s ASN 137 Ca 0.00 1.84 0.01 0.00 -1.02 0.00 0.00 52.86 53.69 1c80 s ASN 137 Cb 0.00 -2.54 0.02 0.00 0.02 0.00 0.00 41.25 38.75 1c80 s ASN 137 CO 0.00 -0.90 -0.04 -0.69 0.02 0.00 0.00 177.10 175.49 1c80 s VAL 138 N 3.95 0.48 -0.18 1.60 1.01 -0.97 -2.49 120.40 123.80 1c80 s VAL 138 Ca 0.63 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.42 1c80 s VAL 138 Cb -0.26 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1c80 s VAL 138 CO 0.22 0.19 0.03 -0.22 0.00 0.00 0.00 175.10 175.32 1c80 s LEU 139 N 0.65 3.58 -0.25 3.92 2.96 0.50 -0.25 118.68 129.78 1c80 s LEU 139 Ca -0.08 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1c80 s LEU 139 Cb -0.12 -1.89 0.06 0.00 0.50 0.00 0.00 46.19 44.74 1c80 s LEU 139 CO -0.00 0.15 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.41 1c80 s VAL 140 N 0.47 1.82 -0.54 1.68 1.01 -0.16 -0.90 120.40 123.79 1c80 s VAL 140 Ca 0.01 -1.41 -0.19 0.00 0.00 0.00 0.00 61.98 60.39 1c80 s VAL 140 Cb -0.13 -2.01 0.08 0.00 0.00 0.00 0.00 36.38 34.32 1c80 s VAL 140 CO 0.01 -0.07 0.64 -0.63 0.00 0.00 0.00 175.10 175.06 1c80 s ILE 141 N 1.26 4.88 0.00 2.22 1.01 -0.41 -1.64 121.20 128.52 1c80 s ILE 141 Ca -0.07 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.82 1c80 s ILE 141 Cb -0.19 -4.37 0.00 0.00 0.01 0.00 0.00 42.46 37.91 1c80 s ILE 141 CO -0.06 -0.93 0.00 0.00 0.00 0.00 0.00 174.94 173.96 1c80 s HIS 143 N 3.36 1.89 0.06 0.00 3.76 -1.26 -0.88 115.29 122.21 1c80 s HIS 143 Ca 0.00 -1.09 -0.28 0.00 -0.15 0.00 0.00 55.06 53.54 1c80 s HIS 143 Cb 0.00 -1.26 -0.14 0.00 1.11 0.00 0.00 32.58 32.29 1c80 s HIS 143 CO 0.00 -0.10 1.43 0.37 -0.85 0.00 0.00 174.74 175.59 1c80 h GLN 144 N 1.93 -0.81 -0.69 1.40 4.15 -1.96 0.12 115.11 119.24 1c80 h GLN 144 Ca -0.39 0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.09 1c80 h GLN 144 Cb 1.26 0.18 -0.03 0.00 0.21 0.00 0.00 27.48 29.10 1c80 h GLN 144 CO 0.65 -0.54 0.43 0.00 -1.93 0.00 0.00 178.83 177.44 1c80 h ALA 145 N -1.20 0.88 -0.36 3.38 0.00 -1.98 -1.83 119.26 118.15 1c80 h ALA 145 Ca -0.06 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1c80 h ALA 145 Cb 0.70 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1c80 h ALA 145 CO 0.00 0.34 0.22 0.28 0.00 0.00 0.00 179.25 180.09 1c80 h VAL 146 N 0.94 1.06 -0.27 0.00 2.07 -1.90 -1.59 116.25 116.57 1c80 h VAL 146 Ca 0.25 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.57 1c80 h VAL 146 Cb -0.06 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1c80 h VAL 146 CO -0.05 0.08 -0.03 -0.03 0.02 0.00 0.00 177.57 177.56 1c80 h MET 147 N 0.46 0.42 -0.08 1.57 -1.53 -0.46 -1.43 114.93 113.87 1c80 h MET 147 Ca 0.14 -0.09 -0.01 0.00 -3.44 0.00 0.00 59.70 56.30 1c80 h MET 147 Cb -0.02 -0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 30.96 1c80 h MET 147 CO -0.05 0.47 -0.01 0.00 0.14 0.00 0.00 176.91 177.47 1c80 h ARG 148 N 0.40 0.15 -0.32 0.39 3.08 -0.90 -0.29 114.38 116.89 1c80 h ARG 148 Ca 0.09 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.10 1c80 h ARG 148 Cb 0.32 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1c80 h ARG 148 CO 0.01 0.43 0.20 0.00 -1.07 0.00 0.00 179.97 179.54 1c80 h LEU 150 N 0.41 0.16 -0.41 0.00 3.38 -1.25 -1.96 115.31 115.63 1c80 h LEU 150 Ca 0.12 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1c80 h LEU 150 Cb -0.02 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1c80 h LEU 150 CO -0.04 0.13 0.27 0.25 0.09 0.00 0.00 178.44 179.14 1c80 h LEU 151 N 0.17 0.46 -1.53 1.67 5.85 -0.78 -2.22 115.31 118.93 1c80 h LEU 151 Ca 0.05 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1c80 h LEU 151 Cb 0.00 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1c80 h LEU 151 CO -0.01 0.33 0.33 0.00 -0.34 0.00 0.00 178.44 178.75 1c80 h ALA 152 N 1.16 1.69 -0.13 1.25 0.00 -0.49 0.48 119.26 123.21 1c80 h ALA 152 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1c80 h ALA 152 Cb -0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1c80 h ALA 152 CO -0.04 0.28 0.03 -0.92 0.00 0.00 0.00 179.25 178.59 1c80 h TYR 153 N 0.64 0.22 0.00 0.00 3.20 -0.76 0.11 116.97 120.37 1c80 h TYR 153 Ca 0.19 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 1c80 h TYR 153 Cb -0.01 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1c80 h TYR 153 CO -0.00 0.37 -0.43 0.74 -1.64 0.00 0.00 178.16 177.20 1c80 h PHE 154 N 0.00 0.00 -0.65 -3.82 0.04 -1.08 -3.08 116.94 108.36 1c80 h PHE 154 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1c80 h PHE 154 Cb 0.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1c80 h PHE 154 CO 0.01 0.43 0.00 1.28 -0.60 0.00 0.00 178.31 179.44 1c80 n LEU 155 N -3.45 3.83 -4.01 1.54 4.77 0.12 -4.23 117.00 115.58 1c80 n LEU 155 Ca 0.00 -1.85 -0.43 0.00 -0.03 0.00 0.00 56.01 53.70 1c80 n LEU 155 Cb 0.58 -0.43 0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1c80 n LEU 155 CO 0.38 0.92 -0.16 -0.67 -1.33 0.00 0.00 177.39 176.54 1c80 n ASP 156 N 1.63 -4.19 -4.92 -1.43 -0.08 0.20 -4.96 116.55 102.79 1c80 n ASP 156 Ca 0.23 -1.24 -0.30 0.00 -1.51 0.00 0.00 54.79 51.97 1c80 n ASP 156 Cb 0.62 -2.02 -0.04 0.00 2.34 0.00 0.00 41.12 42.02 1c80 n ASP 156 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1c80 s LYS 157 N -7.15 3.46 0.61 -0.67 -0.14 -0.18 -5.04 119.74 110.64 1c80 s LYS 157 Ca 0.47 -0.42 -0.13 0.00 -1.36 0.00 0.00 55.97 54.53 1c80 s LYS 157 Cb -0.24 -3.00 -0.03 0.00 -1.68 0.00 0.00 37.83 32.87 1c80 s LYS 157 CO 0.95 0.57 1.03 0.45 -0.76 0.00 0.00 175.35 177.60 1c80 s SER 158 N -2.63 5.97 0.60 2.83 0.15 -1.26 -4.79 113.70 114.57 1c80 s SER 158 Ca 0.36 1.61 0.31 0.00 0.70 0.00 0.00 55.95 58.92 1c80 s SER 158 Cb -0.13 -2.50 1.84 0.00 -1.71 0.00 0.00 66.02 63.52 1c80 s SER 158 CO 0.28 -1.04 2.23 0.77 1.20 0.00 0.00 173.24 176.67 1c80 h SER 159 N 0.04 0.00 -0.25 5.45 4.64 -1.98 -1.07 113.55 120.38 1c80 h SER 159 Ca -0.45 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 1c80 h SER 159 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1c80 h SER 159 CO 0.59 0.00 0.10 -0.78 -0.87 0.00 0.00 176.83 175.87 1c80 h ASP 160 N 0.00 0.35 0.23 4.97 3.58 -2.03 -3.12 116.42 120.41 1c80 h ASP 160 Ca 0.02 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.30 1c80 h ASP 160 Cb 0.13 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1c80 h ASP 160 CO -0.00 0.43 -0.43 -1.84 -2.88 0.00 0.00 179.24 174.52 1c80 n GLU 161 N -4.78 0.62 -0.03 0.28 0.28 -0.71 -4.49 120.64 111.82 1c80 n GLU 161 Ca -0.03 -0.41 -0.10 0.00 -0.16 0.00 0.00 57.16 56.46 1c80 n GLU 161 Cb 0.13 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.48 1c80 n GLU 161 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1c80 h LEU 162 N 1.00 -0.94 0.00 -1.84 5.85 -1.16 -2.05 115.31 116.18 1c80 h LEU 162 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1c80 h LEU 162 Cb 0.55 0.41 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1c80 h LEU 162 CO 0.00 -0.33 0.00 -2.65 -0.34 0.00 0.00 178.44 175.12 1c80 n PRO 163 N -5.40 0.01 -0.09 5.25 -0.02 -1.26 -2.43 135.00 131.06 1c80 n PRO 163 Ca -0.02 0.37 0.08 0.00 -2.02 0.00 0.00 63.50 61.91 1c80 n PRO 163 Cb 0.32 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.42 1c80 n PRO 163 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1c80 n TYR 164 N -1.47 0.24 -2.03 6.00 4.01 -0.78 -5.01 117.16 118.13 1c80 n TYR 164 Ca 0.02 -0.18 -0.39 0.00 -0.16 0.00 0.00 57.90 57.18 1c80 n TYR 164 Cb 0.07 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.09 1c80 n TYR 164 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1c80 s LEU 165 N -1.21 4.21 -0.44 7.72 1.43 -1.02 -4.92 118.68 124.44 1c80 s LEU 165 Ca 0.24 2.68 -0.28 0.00 -1.03 0.00 0.00 54.13 55.74 1c80 s LEU 165 Cb 0.15 -3.90 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1c80 s LEU 165 CO 0.21 -0.88 1.56 -0.54 0.23 0.00 0.00 176.35 176.93 1c80 s LYS 166 N -2.25 3.36 -0.49 1.70 1.02 -1.26 -4.91 119.74 116.90 1c80 s LYS 166 Ca 0.57 0.93 0.08 0.00 0.02 0.00 0.00 55.97 57.57 1c80 s LYS 166 Cb -0.39 -4.13 0.30 0.00 -0.52 0.00 0.00 37.83 33.10 1c80 s LYS 166 CO 0.50 -1.84 0.75 0.00 -0.92 0.00 0.00 175.35 173.83 1c80 s PRO 168 N -2.44 1.73 0.89 0.00 0.04 -1.26 -4.88 135.00 129.08 1c80 s PRO 168 Ca 0.41 0.73 -0.12 0.00 0.04 0.00 0.00 61.00 62.07 1c80 s PRO 168 Cb 0.25 -1.87 0.13 0.00 0.04 0.00 0.00 34.50 33.04 1c80 s PRO 168 CO -0.09 -1.89 1.10 -0.51 0.04 0.00 0.00 177.00 175.65 1c80 s LEU 169 N -5.97 2.19 -1.25 -3.56 1.43 -1.26 -4.05 118.68 106.21 1c80 s LEU 169 Ca 0.62 1.30 -0.09 0.00 -1.03 0.00 0.00 54.13 54.93 1c80 s LEU 169 Cb -0.16 -3.72 0.08 0.00 0.03 0.00 0.00 46.19 42.42 1c80 s LEU 169 CO 0.55 -2.54 0.45 1.41 0.23 0.00 0.00 176.35 176.46 1c80 n HIS 170 N -3.80 -1.75 -3.84 0.29 8.25 -1.26 -4.94 115.22 108.17 1c80 n HIS 170 Ca 0.07 0.44 -0.23 0.00 -0.26 0.00 0.00 57.72 57.74 1c80 n HIS 170 Cb 0.56 -2.78 -0.17 0.00 1.12 0.00 0.00 29.99 28.72 1c80 n HIS 170 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1c80 s THR 171 N -2.89 0.45 -0.22 1.59 2.01 -1.26 -1.52 115.64 113.80 1c80 s THR 171 Ca 0.39 0.06 -0.08 0.00 0.31 0.00 0.00 61.69 62.37 1c80 s THR 171 Cb -0.21 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 1c80 s THR 171 CO 0.48 0.26 0.09 0.54 -0.69 0.00 0.00 174.62 175.30 1c80 s VAL 172 N 1.78 4.75 -0.35 3.82 0.11 0.02 -4.30 120.40 126.22 1c80 s VAL 172 Ca 0.02 -0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 58.92 1c80 s VAL 172 Cb -0.13 -3.19 -0.00 0.00 -1.53 0.00 0.00 36.38 31.53 1c80 s VAL 172 CO -0.05 0.38 0.23 -0.76 -3.33 0.00 0.00 175.10 171.58 1c80 s LEU 173 N 1.00 4.59 -0.46 2.54 1.43 0.15 -0.57 118.68 127.37 1c80 s LEU 173 Ca 0.05 -0.62 -0.26 0.00 -1.03 0.00 0.00 54.13 52.27 1c80 s LEU 173 Cb -0.14 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 44.01 1c80 s LEU 173 CO 0.03 -0.29 0.95 -0.75 0.23 0.00 0.00 176.35 176.52 1c80 s LYS 174 N 1.67 3.56 -0.35 1.70 2.20 -0.08 -1.36 119.74 127.08 1c80 s LYS 174 Ca 0.05 0.21 -0.11 0.00 -0.36 0.00 0.00 55.97 55.76 1c80 s LYS 174 Cb -0.18 -3.92 0.01 0.00 -1.51 0.00 0.00 37.83 32.23 1c80 s LYS 174 CO 0.09 -1.24 0.20 -0.51 -0.36 0.00 0.00 175.35 173.53 1c80 s LEU 175 N 3.83 4.51 -0.46 5.43 1.43 0.36 -1.11 118.68 132.66 1c80 s LEU 175 Ca 0.38 -0.76 -0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1c80 s LEU 175 Cb -0.10 -2.04 0.12 0.00 0.03 0.00 0.00 46.19 44.20 1c80 s LEU 175 CO 0.27 -0.31 0.24 -0.89 0.23 0.00 0.00 176.35 175.90 1c80 s THR 176 N 1.60 3.23 0.20 5.49 2.01 0.61 0.03 115.64 128.82 1c80 s THR 176 Ca 0.04 -2.36 -0.31 0.00 0.31 0.00 0.00 61.69 59.36 1c80 s THR 176 Cb -0.18 -3.21 -0.11 0.00 0.01 0.00 0.00 72.50 69.01 1c80 s THR 176 CO 0.07 -0.73 1.63 -2.16 -0.69 0.00 0.00 174.62 172.74 1c80 s PRO 177 N 0.77 4.17 -0.10 4.92 0.04 -1.26 -0.93 135.00 142.61 1c80 s PRO 177 Ca 0.11 2.49 -0.06 0.00 0.04 0.00 0.00 61.00 63.58 1c80 s PRO 177 Cb -0.22 -3.10 0.04 0.00 0.04 0.00 0.00 34.50 31.26 1c80 s PRO 177 CO -0.04 -0.66 0.24 0.14 0.04 0.00 0.00 177.00 176.72 1c80 s VAL 178 N 0.98 -0.03 0.00 -0.36 -7.23 -0.87 -4.89 120.40 108.00 1c80 s VAL 178 Ca 0.71 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 61.00 1c80 s VAL 178 Cb -0.47 -0.37 0.00 0.00 0.56 0.00 0.00 36.38 36.10 1c80 s VAL 178 CO 0.34 0.05 0.00 0.00 -0.31 0.00 0.00 175.10 175.18 1c80 n ALA 179 N 3.98 0.00 1.51 1.32 0.00 -1.26 0.38 120.51 126.44 1c80 n ALA 179 Ca -0.23 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.25 1c80 n ALA 179 Cb 0.54 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.23 1c80 n ALA 179 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1c80 n TYR 180 N 0.00 0.00 0.00 0.00 0.18 -1.26 -4.94 117.16 111.14 1c80 n TYR 180 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1c80 n TYR 180 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 1c80 n TYR 180 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1c80 n GLY 181 N 0.34 0.86 3.58 -7.48 0.00 0.16 -5.08 105.19 97.56 1c80 n GLY 181 Ca 0.06 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 1c80 n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c80 s ARG 183 N 0.22 3.26 0.17 0.00 3.52 -0.10 -4.88 118.95 121.14 1c80 s ARG 183 Ca -0.01 -0.36 0.10 0.00 -0.13 0.00 0.00 55.73 55.34 1c80 s ARG 183 Cb -0.04 -3.00 -0.04 0.00 -1.56 0.00 0.00 34.95 30.30 1c80 s ARG 183 CO 0.02 0.68 -0.21 0.08 -0.81 0.00 0.00 175.30 175.07 1c80 s VAL 184 N -1.20 2.59 -0.27 7.11 1.01 -1.26 -0.29 120.40 128.10 1c80 s VAL 184 Ca 0.23 -1.84 -0.02 0.00 0.00 0.00 0.00 61.98 60.34 1c80 s VAL 184 Cb -0.12 -2.23 0.11 0.00 0.00 0.00 0.00 36.38 34.14 1c80 s VAL 184 CO 0.13 -0.05 0.22 -0.70 0.00 0.00 0.00 175.10 174.70 1c80 s GLU 185 N -2.54 0.25 -0.26 2.72 2.12 -0.27 -4.96 118.70 115.75 1c80 s GLU 185 Ca 0.20 -0.20 -0.29 0.00 0.36 0.00 0.00 54.97 55.04 1c80 s GLU 185 Cb -0.09 -0.96 0.01 0.00 0.26 0.00 0.00 34.13 33.36 1c80 s GLU 185 CO 0.10 -0.95 1.08 -1.12 -0.54 0.00 0.00 175.26 173.84 1c80 s SER 186 N 2.27 7.01 -0.33 -1.70 0.01 -1.26 -0.90 113.70 118.80 1c80 s SER 186 Ca 0.09 1.27 -0.02 0.00 1.31 0.00 0.00 55.95 58.60 1c80 s SER 186 Cb -0.15 -2.54 0.06 0.00 0.21 0.00 0.00 66.02 63.60 1c80 s SER 186 CO -0.30 -0.77 0.05 -0.63 0.41 0.00 0.00 173.24 172.00 1c80 s ILE 187 N 3.43 3.08 -0.08 1.44 -1.09 0.27 -5.00 121.20 123.26 1c80 s ILE 187 Ca 0.46 -1.53 -0.21 0.00 -2.23 0.00 0.00 60.65 57.13 1c80 s ILE 187 Cb -0.14 -2.86 -0.04 0.00 -1.58 0.00 0.00 42.46 37.84 1c80 s ILE 187 CO 0.11 -0.25 0.60 -0.47 -1.23 0.00 0.00 174.94 173.70 1c80 s TYR 188 N 1.23 3.57 -0.54 3.97 5.04 -1.26 -0.80 117.35 128.55 1c80 s TYR 188 Ca -0.02 1.11 -0.02 0.00 -2.44 0.00 0.00 57.07 55.70 1c80 s TYR 188 Cb -0.20 -2.68 0.14 0.00 0.35 0.00 0.00 41.96 39.57 1c80 s TYR 188 CO -0.02 0.16 0.34 -0.51 -1.34 0.00 0.00 175.55 174.18 1c80 s LEU 189 N 0.59 5.19 -0.26 6.97 1.43 -0.57 -5.00 118.68 127.03 1c80 s LEU 189 Ca 0.32 -2.57 -0.29 0.00 -1.03 0.00 0.00 54.13 50.56 1c80 s LEU 189 Cb -0.17 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 1c80 s LEU 189 CO 0.15 -0.42 1.46 0.21 0.23 0.00 0.00 176.35 177.98 1c80 s ASN 190 N 1.03 6.53 0.00 2.29 2.47 -1.26 -4.85 114.94 121.15 1c80 s ASN 190 Ca 0.14 1.42 0.00 0.00 0.42 0.00 0.00 52.86 54.84 1c80 s ASN 190 Cb -0.21 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.05 1c80 s ASN 190 CO -0.04 -1.17 0.00 1.33 -3.72 0.00 0.00 177.10 173.51