#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dni s LYS 2 N 0.00 2.69 -0.06 1.96 2.20 -1.26 0.42 119.74 125.69 3dni s LYS 2 Ca 0.00 -0.77 0.04 0.00 -0.36 0.00 0.00 55.97 54.89 3dni s LYS 2 Cb 0.00 -2.43 -0.02 0.00 -1.51 0.00 0.00 37.83 33.87 3dni s LYS 2 CO 0.00 -0.24 -0.19 0.42 -0.36 0.00 0.00 175.35 174.98 3dni s ILE 3 N 1.35 2.66 0.04 5.43 1.01 -0.83 -0.15 121.20 130.70 3dni s ILE 3 Ca 0.04 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 3dni s ILE 3 Cb -0.13 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 3dni s ILE 3 CO -0.12 0.57 -0.01 0.00 0.00 0.00 0.00 174.94 175.39 3dni s ALA 4 N -0.39 0.25 -0.11 9.38 0.00 -0.73 -0.92 121.76 129.23 3dni s ALA 4 Ca 0.04 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.18 3dni s ALA 4 Cb -0.12 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.23 3dni s ALA 4 CO 0.02 -0.28 -0.20 0.00 0.00 0.00 0.00 175.76 175.30 3dni s ALA 5 N -2.71 2.03 -0.06 0.00 0.00 0.04 -1.35 121.76 119.70 3dni s ALA 5 Ca -0.04 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 3dni s ALA 5 Cb -0.01 -0.86 0.03 0.00 0.00 0.00 0.00 23.12 22.28 3dni s ALA 5 CO -0.05 0.08 -0.01 0.12 0.00 0.00 0.00 175.76 175.90 3dni s PHE 6 N 0.67 0.67 -0.42 0.00 5.36 0.12 -1.15 117.98 123.23 3dni s PHE 6 Ca -0.12 -0.17 -0.18 0.00 -0.96 0.00 0.00 56.93 55.50 3dni s PHE 6 Cb -0.16 -0.75 0.02 0.00 -0.34 0.00 0.00 43.02 41.78 3dni s PHE 6 CO 0.02 -0.29 0.47 1.21 -1.46 0.00 0.00 175.22 175.18 3dni s ASN 7 N 1.68 6.22 -0.43 6.13 3.84 -1.26 -0.45 114.94 130.66 3dni s ASN 7 Ca 0.01 -0.55 -0.11 0.00 0.21 0.00 0.00 52.86 52.41 3dni s ASN 7 Cb -0.13 -2.24 0.07 0.00 -0.55 0.00 0.00 41.25 38.41 3dni s ASN 7 CO -0.04 -0.60 0.29 -0.63 -2.79 0.00 0.00 177.10 173.34 3dni s ILE 8 N 2.27 4.52 -0.04 -5.21 1.01 -0.93 -4.43 121.20 118.38 3dni s ILE 8 Ca 0.14 -1.28 -0.37 0.00 0.00 0.00 0.00 60.65 59.14 3dni s ILE 8 Cb -0.16 -3.74 -0.15 0.00 0.01 0.00 0.00 42.46 38.42 3dni s ILE 8 CO 0.14 -0.51 1.62 -1.14 0.00 0.00 0.00 174.94 175.05 3dni n ARG 9 N 5.00 1.58 -3.99 2.79 0.63 -1.26 -1.64 116.66 119.77 3dni n ARG 9 Ca -0.11 0.57 -0.32 0.00 -0.92 0.00 0.00 57.85 57.08 3dni n ARG 9 Cb 0.43 -2.30 -0.02 0.00 0.45 0.00 0.00 32.46 31.03 3dni n ARG 9 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 3dni n THR 10 N 3.87 -3.16 -1.90 5.15 -1.04 -1.26 -4.85 114.28 111.07 3dni n THR 10 Ca 0.21 -0.61 -0.42 0.00 -2.04 0.00 0.00 64.05 61.19 3dni n THR 10 Cb 0.22 -2.60 -0.03 0.00 -1.82 0.00 0.00 70.33 66.09 3dni n THR 10 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3dni s PHE 11 N -3.87 1.99 0.00 -1.42 5.36 -0.60 -4.71 117.98 114.73 3dni s PHE 11 Ca 0.18 0.10 0.00 0.00 -0.96 0.00 0.00 56.93 56.25 3dni s PHE 11 Cb -0.08 -4.01 0.00 0.00 -0.34 0.00 0.00 43.02 38.59 3dni s PHE 11 CO 0.92 -4.23 0.00 0.41 -1.46 0.00 0.00 175.22 170.86 3dni n GLY 12 N 4.17 1.35 0.16 13.12 0.00 -1.26 -0.35 105.19 122.38 3dni n GLY 12 Ca 0.17 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 3dni n GLY 12 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dni h GLU 13 N 0.00 -0.14 -0.32 1.61 5.08 -1.89 0.12 114.58 119.03 3dni h GLU 13 Ca 0.00 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3dni h GLU 13 Cb 0.00 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 3dni h GLU 13 CO 0.00 -0.09 -0.02 1.15 -1.00 0.00 0.00 179.01 179.05 3dni h THR 14 N -0.14 0.74 -0.18 1.13 2.02 -1.96 -2.39 112.91 112.14 3dni h THR 14 Ca 0.07 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 3dni h THR 14 Cb 0.25 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3dni h THR 14 CO -0.18 0.01 0.08 0.50 0.37 0.00 0.00 175.52 176.30 3dni h LYS 15 N 0.07 0.26 0.00 6.66 3.64 -1.70 -3.12 116.57 122.38 3dni h LYS 15 Ca 0.16 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3dni h LYS 15 Cb 0.22 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3dni h LYS 15 CO -0.28 0.31 0.00 0.52 -2.27 0.00 0.00 179.45 177.73 3dni h MET 16 N 0.15 0.00 0.00 1.90 2.86 -0.70 -2.60 114.93 116.54 3dni h MET 16 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3dni h MET 16 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3dni h MET 16 CO -0.01 0.00 -0.09 0.43 1.06 0.00 0.00 176.91 178.30 3dni n SER 17 N -2.61 0.29 -4.52 1.22 7.64 -0.91 -4.58 113.62 110.14 3dni n SER 17 Ca 0.01 0.41 -0.42 0.00 1.01 0.00 0.00 58.87 59.88 3dni n SER 17 Cb 0.24 -0.44 -0.08 0.00 -1.01 0.00 0.00 64.21 62.92 3dni n SER 17 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3dni s ASN 18 N -3.42 6.27 0.32 6.43 3.84 -0.98 -4.97 114.94 122.43 3dni s ASN 18 Ca 0.12 -0.35 0.02 0.00 0.21 0.00 0.00 52.86 52.86 3dni s ASN 18 Cb 0.17 -2.26 0.53 0.00 -0.55 0.00 0.00 41.25 39.13 3dni s ASN 18 CO 0.58 -0.60 1.88 0.00 -2.79 0.00 0.00 177.10 176.17 3dni h ALA 19 N 8.68 1.34 -0.43 1.71 0.00 -1.86 0.25 119.26 128.95 3dni h ALA 19 Ca -0.27 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 3dni h ALA 19 Cb 1.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3dni h ALA 19 CO 0.81 0.47 0.09 1.15 0.00 0.00 0.00 179.25 181.78 3dni h THR 20 N 0.69 1.24 -0.18 0.00 2.02 -1.95 -1.00 112.91 113.73 3dni h THR 20 Ca 0.16 -0.83 -0.05 0.00 0.77 0.00 0.00 66.41 66.46 3dni h THR 20 Cb 0.23 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3dni h THR 20 CO -0.01 0.29 -0.08 -0.07 0.37 0.00 0.00 175.52 176.02 3dni h LEU 21 N 0.56 0.38 -1.13 2.58 4.07 -1.75 -3.04 115.31 116.98 3dni h LEU 21 Ca 0.13 -0.40 0.07 0.00 0.08 0.00 0.00 57.88 57.76 3dni h LEU 21 Cb 0.33 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 41.91 3dni h LEU 21 CO 0.00 0.70 0.60 0.00 -1.08 0.00 0.00 178.44 178.66 3dni h ALA 22 N 0.69 1.50 -0.27 1.53 0.00 -0.45 -1.76 119.26 120.50 3dni h ALA 22 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3dni h ALA 22 Cb 0.55 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3dni h ALA 22 CO 0.02 0.36 0.13 1.03 0.00 0.00 0.00 179.25 180.79 3dni h SER 23 N 1.04 0.36 -0.29 0.00 0.87 -1.12 -0.88 113.55 113.53 3dni h SER 23 Ca 0.40 -0.13 -0.11 0.00 -1.23 0.00 0.00 61.79 60.72 3dni h SER 23 Cb 0.20 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 3dni h SER 23 CO -0.15 0.39 -0.19 1.88 -0.53 0.00 0.00 176.83 178.23 3dni h TYR 24 N 0.31 0.84 -0.26 2.24 0.05 -1.33 -2.58 116.97 116.24 3dni h TYR 24 Ca 0.09 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.70 3dni h TYR 24 Cb 0.13 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 3dni h TYR 24 CO -0.02 0.88 0.16 0.82 -1.05 0.00 0.00 178.16 178.95 3dni h ILE 25 N 0.66 1.09 -0.47 -2.88 2.04 -1.06 -0.75 117.51 116.13 3dni h ILE 25 Ca 0.10 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.82 3dni h ILE 25 Cb 0.68 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 3dni h ILE 25 CO 0.05 0.08 0.21 0.58 0.00 0.00 0.00 178.15 179.07 3dni h VAL 26 N 0.33 0.92 0.09 1.67 2.07 -1.08 -1.75 116.25 118.49 3dni h VAL 26 Ca 0.09 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3dni h VAL 26 Cb -0.00 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 3dni h VAL 26 CO -0.02 0.08 -0.37 -0.09 0.02 0.00 0.00 177.57 177.19 3dni h ARG 27 N 0.42 -0.55 -0.08 1.57 9.65 -1.17 0.45 114.38 124.67 3dni h ARG 27 Ca 0.21 0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.16 3dni h ARG 27 Cb 0.16 0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.83 3dni h ARG 27 CO -0.18 -0.37 -0.14 0.82 2.80 0.00 0.00 179.97 182.90 3dni h ILE 28 N -0.58 0.63 -0.51 1.20 2.04 -0.78 -2.88 117.51 116.63 3dni h ILE 28 Ca 0.04 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.97 3dni h ILE 28 Cb 0.62 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 3dni h ILE 28 CO -0.24 0.00 0.17 0.58 0.00 0.00 0.00 178.15 178.66 3dni h VAL 29 N -0.20 0.79 0.00 1.67 2.07 -1.09 -2.42 116.25 117.07 3dni h VAL 29 Ca 0.08 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3dni h VAL 29 Cb 0.30 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3dni h VAL 29 CO -0.20 0.06 0.00 0.54 0.02 0.00 0.00 177.57 177.99 3dni n ARG 30 N -5.03 0.04 0.14 1.57 1.74 0.13 -0.75 116.66 114.50 3dni n ARG 30 Ca 0.06 0.46 0.13 0.00 -0.77 0.00 0.00 57.85 57.73 3dni n ARG 30 Cb 0.22 -1.60 0.47 0.00 -1.02 0.00 0.00 32.46 30.53 3dni n ARG 30 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dni h ARG 31 N 0.00 0.00 -6.43 5.56 3.08 -1.45 -3.46 114.38 111.68 3dni h ARG 31 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 3dni h ARG 31 Cb 0.08 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 29.95 3dni h ARG 31 CO 0.00 0.00 -0.81 0.71 -1.07 0.00 0.00 179.97 178.80 3dni s TYR 32 N -3.29 2.16 0.02 3.04 2.02 0.07 -4.90 117.35 116.49 3dni s TYR 32 Ca 0.06 -0.39 -0.00 0.00 -0.37 0.00 0.00 57.07 56.37 3dni s TYR 32 Cb 0.10 -1.08 -0.26 0.00 -0.40 0.00 0.00 41.96 40.32 3dni s TYR 32 CO 0.48 0.45 0.94 -0.44 -1.57 0.00 0.00 175.55 175.40 3dni h ASP 33 N 3.25 0.30 -3.42 2.29 3.32 -0.84 -3.46 116.42 117.87 3dni h ASP 33 Ca -0.45 -0.40 -0.44 0.00 0.02 0.00 0.00 57.03 55.76 3dni h ASP 33 Cb 1.21 -0.10 -0.34 0.00 0.22 0.00 0.00 39.33 40.32 3dni h ASP 33 CO 0.48 1.33 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.91 3dni s ILE 34 N -2.63 0.71 -0.02 0.35 1.01 -0.96 -1.53 121.20 118.12 3dni s ILE 34 Ca -0.06 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.39 3dni s ILE 34 Cb 0.07 -0.71 0.02 0.00 0.01 0.00 0.00 42.46 41.85 3dni s ILE 34 CO 0.85 0.27 -0.02 0.54 0.00 0.00 0.00 174.94 176.58 3dni s VAL 35 N 0.97 0.25 -0.27 2.92 0.11 0.67 -1.78 120.40 123.28 3dni s VAL 35 Ca -0.10 -0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 58.81 3dni s VAL 35 Cb -0.14 -0.30 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 3dni s VAL 35 CO 0.00 0.14 0.28 -0.22 -3.33 0.00 0.00 175.10 171.97 3dni s LEU 36 N 0.69 4.05 -0.15 2.54 2.96 -0.46 -0.60 118.68 127.70 3dni s LEU 36 Ca -0.07 0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 53.96 3dni s LEU 36 Cb -0.10 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 3dni s LEU 36 CO -0.01 -0.10 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.27 3dni s ILE 37 N 1.80 4.02 0.36 6.68 1.01 0.37 0.11 121.20 135.55 3dni s ILE 37 Ca 0.11 -0.31 0.09 0.00 0.00 0.00 0.00 60.65 60.54 3dni s ILE 37 Cb -0.16 -2.76 -0.07 0.00 0.01 0.00 0.00 42.46 39.48 3dni s ILE 37 CO 0.10 0.50 -0.06 -1.10 0.00 0.00 0.00 174.94 174.37 3dni s GLN 38 N 0.28 1.87 -0.86 2.79 -0.21 0.40 -0.90 119.66 123.03 3dni s GLN 38 Ca -0.02 -1.99 -0.04 0.00 0.02 0.00 0.00 55.36 53.33 3dni s GLN 38 Cb -0.14 -1.69 0.00 0.00 1.00 0.00 0.00 33.01 32.19 3dni s GLN 38 CO 0.03 0.08 0.74 -1.91 -2.12 0.00 0.00 175.29 172.11 3dni n GLU 39 N -0.85 -4.96 -2.81 2.91 2.13 -1.26 -2.20 120.64 113.60 3dni n GLU 39 Ca -0.05 0.55 -0.43 0.00 0.66 0.00 0.00 57.16 57.89 3dni n GLU 39 Cb 0.65 -4.71 -0.04 0.00 0.27 0.00 0.00 31.44 27.61 3dni n GLU 39 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3dni s VAL 40 N -3.22 4.31 -0.89 6.31 1.01 -1.23 -1.56 120.40 125.14 3dni s VAL 40 Ca 0.27 0.21 -0.10 0.00 0.00 0.00 0.00 61.98 62.36 3dni s VAL 40 Cb -0.12 -4.60 0.23 0.00 0.00 0.00 0.00 36.38 31.89 3dni s VAL 40 CO 0.48 -1.24 0.83 -0.13 0.00 0.00 0.00 175.10 175.04 3dni s ARG 41 N 4.14 3.61 -0.49 2.72 0.52 0.53 -0.82 118.95 129.17 3dni s ARG 41 Ca 0.30 -2.78 0.06 0.00 -0.52 0.00 0.00 55.73 52.80 3dni s ARG 41 Cb -0.13 -4.33 0.18 0.00 0.52 0.00 0.00 34.95 31.20 3dni s ARG 41 CO 0.18 -1.26 0.64 0.34 0.02 0.00 0.00 175.30 175.22 3dni s ASP 42 N 1.49 -0.80 0.37 0.23 2.15 -1.26 -4.39 116.67 114.46 3dni s ASP 42 Ca 0.22 -2.00 0.07 0.00 0.43 0.00 0.00 52.55 51.27 3dni s ASP 42 Cb -0.11 1.38 0.78 0.00 -0.30 0.00 0.00 42.92 44.67 3dni s ASP 42 CO -0.08 -0.08 1.97 0.28 -0.17 0.00 0.00 175.17 177.08 3dni h SER 43 N 5.22 0.62 -0.30 -0.34 0.02 -1.94 -2.86 113.55 113.97 3dni h SER 43 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3dni h SER 43 Cb 1.07 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.48 3dni h SER 43 CO 0.09 0.40 0.00 1.41 -1.14 0.00 0.00 176.83 177.59 3dni n HIS 44 N -4.48 0.87 -1.89 3.45 8.25 -1.26 -4.98 115.22 115.18 3dni n HIS 44 Ca 0.10 -0.76 -0.21 0.00 -0.26 0.00 0.00 57.72 56.58 3dni n HIS 44 Cb 0.23 -0.24 -0.06 0.00 1.12 0.00 0.00 29.99 31.03 3dni n HIS 44 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3dni n LEU 45 N -0.16 -1.68 -0.04 2.41 4.32 -1.08 -4.88 117.00 115.89 3dni n LEU 45 Ca 0.19 0.33 -0.13 0.00 -0.02 0.00 0.00 56.01 56.38 3dni n LEU 45 Cb 0.78 -2.91 -0.08 0.00 -1.62 0.00 0.00 43.42 39.59 3dni n LEU 45 CO 0.14 -0.79 0.59 0.58 -1.22 0.00 0.00 177.39 176.70 3dni h VAL 46 N 0.00 1.37 -0.44 4.08 2.07 -1.94 -2.08 116.25 119.31 3dni h VAL 46 Ca -0.45 -1.32 -0.06 0.00 0.82 0.00 0.00 66.70 65.69 3dni h VAL 46 Cb 1.37 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 33.15 3dni h VAL 46 CO 0.62 0.37 0.05 0.00 0.02 0.00 0.00 177.57 178.62 3dni h ALA 47 N 0.56 0.59 -0.81 1.67 0.00 -1.90 -1.01 119.26 118.36 3dni h ALA 47 Ca 0.01 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.71 3dni h ALA 47 Cb 0.66 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3dni h ALA 47 CO 0.03 0.33 0.52 0.28 0.00 0.00 0.00 179.25 180.41 3dni h VAL 48 N 0.60 1.14 -0.38 0.00 2.07 -1.95 -1.60 116.25 116.13 3dni h VAL 48 Ca 0.13 -0.35 -0.14 0.00 0.82 0.00 0.00 66.70 67.16 3dni h VAL 48 Cb 0.42 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3dni h VAL 48 CO 0.01 0.19 -0.33 1.23 0.02 0.00 0.00 177.57 178.69 3dni h GLY 49 N 1.02 0.92 1.21 2.17 0.00 -1.07 -1.95 103.07 105.37 3dni h GLY 49 Ca 0.32 -0.89 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 3dni h GLY 49 CO -0.10 0.81 0.28 0.50 0.00 0.00 0.00 176.54 178.02 3dni h LYS 50 N 0.71 1.01 -0.29 4.80 1.57 -0.83 -1.75 116.57 121.78 3dni h LYS 50 Ca 0.07 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 3dni h LYS 50 Cb 0.89 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3dni h LYS 50 CO 0.08 0.82 -0.10 1.25 -0.57 0.00 0.00 179.45 180.93 3dni h LEU 51 N 0.99 0.60 -1.37 2.94 5.85 -1.15 -2.61 115.31 120.55 3dni h LEU 51 Ca 0.23 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 3dni h LEU 51 Cb 0.18 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3dni h LEU 51 CO -0.02 0.85 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.59 3dni h LEU 52 N 0.34 0.08 0.41 2.25 3.38 -1.22 -1.28 115.31 119.28 3dni h LEU 52 Ca 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3dni h LEU 52 Cb 0.60 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3dni h LEU 52 CO 0.04 0.35 -0.25 0.44 0.09 0.00 0.00 178.44 179.10 3dni h ASP 53 N 0.07 -0.61 -0.23 -0.43 3.32 -0.96 -1.52 116.42 116.06 3dni h ASP 53 Ca 0.01 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.12 3dni h ASP 53 Cb 0.51 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 3dni h ASP 53 CO 0.04 -0.39 0.07 1.88 -1.72 0.00 0.00 179.24 179.11 3dni h TYR 54 N -0.63 0.13 -0.88 4.55 -1.99 -1.28 -1.42 116.97 115.45 3dni h TYR 54 Ca -0.05 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.68 3dni h TYR 54 Cb 0.51 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.17 3dni h TYR 54 CO -0.09 0.06 0.48 -0.07 -0.00 0.00 0.00 178.16 178.54 3dni h LEU 55 N 0.18 1.10 -3.25 3.88 3.38 -1.09 -3.07 115.31 116.44 3dni h LEU 55 Ca 0.10 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dni h LEU 55 Cb 0.07 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3dni h LEU 55 CO -0.11 0.89 0.00 0.59 0.09 0.00 0.00 178.44 179.90 3dni n ASN 56 N -4.33 4.86 0.29 -0.43 3.02 -0.59 -4.65 115.26 113.43 3dni n ASN 56 Ca 0.09 -2.61 0.17 0.00 -0.03 0.00 0.00 54.58 52.20 3dni n ASN 56 Cb 0.10 -0.59 0.95 0.00 -0.61 0.00 0.00 39.78 39.64 3dni n ASN 56 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 3dni h GLN 57 N 3.74 0.00 0.00 3.52 3.07 -1.16 -3.03 115.11 121.26 3dni h GLN 57 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.59 3dni h GLN 57 Cb 1.56 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.09 3dni h GLN 57 CO 0.29 0.00 -1.84 -0.25 0.09 0.00 0.00 178.83 177.12 3dni n ASP 58 N -3.69 1.62 -3.72 0.06 8.00 -1.26 -4.96 116.55 112.60 3dni n ASP 58 Ca -0.02 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.34 3dni n ASP 58 Cb 0.12 1.16 -0.14 0.00 -0.02 0.00 0.00 41.12 42.25 3dni n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dni s ASP 59 N -4.31 0.01 0.35 -2.24 -1.08 -1.14 -5.04 116.67 103.21 3dni s ASP 59 Ca -0.06 0.44 0.26 0.00 -0.52 0.00 0.00 52.55 52.67 3dni s ASP 59 Cb 0.06 0.37 1.20 0.00 -1.46 0.00 0.00 42.92 43.09 3dni s ASP 59 CO 0.58 -0.18 1.79 1.55 0.52 0.00 0.00 175.17 179.43 3dni h PRO 60 N 7.53 0.00 -0.38 4.34 0.13 -1.93 -2.84 132.00 138.84 3dni h PRO 60 Ca -0.34 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.56 3dni h PRO 60 Cb 1.14 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.12 3dni h PRO 60 CO 0.32 0.00 -0.23 0.09 -0.23 0.00 0.00 178.00 177.95 3dni n ASN 61 N -2.42 2.95 0.11 1.44 3.02 -1.26 -4.73 115.26 114.37 3dni n ASN 61 Ca 0.00 -3.82 -0.13 0.00 -0.03 0.00 0.00 54.58 50.61 3dni n ASN 61 Cb 0.17 -0.59 -0.08 0.00 -0.61 0.00 0.00 39.78 38.67 3dni n ASN 61 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3dni h THR 62 N 1.18 0.87 -4.06 3.41 2.02 -1.78 -3.41 112.91 111.14 3dni h THR 62 Ca 0.22 -0.60 -0.46 0.00 0.77 0.00 0.00 66.41 66.34 3dni h THR 62 Cb 1.47 1.22 -0.30 0.00 -1.74 0.00 0.00 68.15 68.80 3dni h THR 62 CO 0.43 0.13 -0.80 -0.31 0.37 0.00 0.00 175.52 175.34 3dni s TYR 63 N -4.85 1.13 0.44 3.16 1.51 -1.26 -4.20 117.35 113.28 3dni s TYR 63 Ca -0.15 -0.24 0.07 0.00 -1.01 0.00 0.00 57.07 55.74 3dni s TYR 63 Cb 0.03 -0.75 -0.03 0.00 -0.11 0.00 0.00 41.96 41.10 3dni s TYR 63 CO 0.59 -0.05 0.26 -1.01 -1.11 0.00 0.00 175.55 174.24 3dni s HIS 64 N -0.16 2.48 0.19 2.71 3.76 -0.03 -4.93 115.29 119.31 3dni s HIS 64 Ca 0.02 -0.61 -0.15 0.00 -0.15 0.00 0.00 55.06 54.17 3dni s HIS 64 Cb -0.06 -2.01 0.02 0.00 1.11 0.00 0.00 32.58 31.64 3dni s HIS 64 CO -0.00 0.01 0.47 1.52 -0.85 0.00 0.00 174.74 175.88 3dni s TYR 65 N -2.60 -0.00 -0.06 1.40 1.13 -1.26 -1.60 117.35 114.36 3dni s TYR 65 Ca 0.41 -0.34 0.01 0.00 -1.41 0.00 0.00 57.07 55.74 3dni s TYR 65 Cb 0.01 0.29 0.02 0.00 -1.10 0.00 0.00 41.96 41.18 3dni s TYR 65 CO 0.23 -0.87 -0.07 0.08 -2.51 0.00 0.00 175.55 172.42 3dni s VAL 66 N -3.89 0.76 -0.00 -3.49 1.01 -0.85 -5.02 120.40 108.93 3dni s VAL 66 Ca 0.11 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.91 3dni s VAL 66 Cb 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 3dni s VAL 66 CO -0.02 0.28 -0.17 0.54 0.00 0.00 0.00 175.10 175.73 3dni s VAL 67 N 1.02 1.32 0.88 2.92 0.11 -1.26 -1.01 120.40 124.38 3dni s VAL 67 Ca -0.09 -0.78 -0.11 0.00 -2.93 0.00 0.00 61.98 58.08 3dni s VAL 67 Cb -0.14 -1.11 0.17 0.00 -1.53 0.00 0.00 36.38 33.77 3dni s VAL 67 CO -0.00 0.33 1.21 -0.94 -3.33 0.00 0.00 175.10 172.36 3dni s SER 68 N -0.52 3.56 0.77 3.54 1.04 -0.64 -5.00 113.70 116.45 3dni s SER 68 Ca 0.06 0.05 -0.11 0.00 0.48 0.00 0.00 55.95 56.42 3dni s SER 68 Cb -0.07 -0.21 0.05 0.00 0.10 0.00 0.00 66.02 65.90 3dni s SER 68 CO -0.00 -2.42 1.09 -1.61 0.98 0.00 0.00 173.24 171.28 3dni s GLU 69 N -5.62 2.32 0.00 4.02 0.41 -1.26 -4.68 118.70 113.89 3dni s GLU 69 Ca 0.71 0.67 -0.30 0.00 -0.41 0.00 0.00 54.97 55.64 3dni s GLU 69 Cb -0.04 -1.94 -0.07 0.00 -1.78 0.00 0.00 34.13 30.29 3dni s GLU 69 CO 0.50 -1.47 1.70 -2.14 -0.49 0.00 0.00 175.26 173.37 3dni s PRO 70 N -5.16 4.18 0.06 0.39 0.02 -1.26 -4.49 135.00 128.75 3dni s PRO 70 Ca 0.60 2.30 0.05 0.00 0.02 0.00 0.00 61.00 63.97 3dni s PRO 70 Cb -0.14 -3.89 -0.04 0.00 0.02 0.00 0.00 34.50 30.46 3dni s PRO 70 CO 0.54 -0.82 -0.07 -0.51 -0.33 0.00 0.00 177.00 175.81 3dni s LEU 71 N 3.64 3.16 0.00 -5.54 1.43 0.73 -4.78 118.68 117.32 3dni s LEU 71 Ca 0.76 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 3dni s LEU 71 Cb -0.37 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 43.95 3dni s LEU 71 CO 0.32 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.73 3dni n GLY 72 N 0.99 2.71 0.11 -3.19 0.00 -1.15 -1.83 105.19 102.84 3dni n GLY 72 Ca -0.14 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 3dni n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dni n ARG 73 N -0.89 0.63 0.00 1.61 0.63 -1.25 -4.93 116.66 112.45 3dni n ARG 73 Ca 0.00 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 3dni n ARG 73 Cb 0.00 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 31.47 3dni n ARG 73 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3dni n ASN 74 N -3.08 0.00 -0.02 6.15 3.02 -1.26 -5.00 115.26 115.06 3dni n ASN 74 Ca -0.38 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.17 3dni n ASN 74 Cb 0.93 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 40.04 3dni n ASN 74 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3dni n SER 75 N 0.00 3.10 -4.70 6.41 3.41 -1.26 -4.98 113.62 115.60 3dni n SER 75 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 3dni n SER 75 Cb 0.00 1.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.92 3dni n SER 75 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3dni s TYR 76 N -2.36 3.31 0.05 7.33 5.04 -1.26 -5.04 117.35 124.43 3dni s TYR 76 Ca -0.03 1.24 0.05 0.00 -2.44 0.00 0.00 57.07 55.88 3dni s TYR 76 Cb 0.04 -3.44 -0.02 0.00 0.35 0.00 0.00 41.96 38.88 3dni s TYR 76 CO 0.33 -1.37 -0.13 0.15 -1.34 0.00 0.00 175.55 173.19 3dni s LYS 77 N 1.53 0.80 0.03 4.97 -0.14 -1.26 -4.48 119.74 121.19 3dni s LYS 77 Ca 0.58 -0.83 -0.00 0.00 -1.36 0.00 0.00 55.97 54.36 3dni s LYS 77 Cb -0.28 -0.78 -0.03 0.00 -1.68 0.00 0.00 37.83 35.06 3dni s LYS 77 CO 0.27 0.18 -0.03 -1.21 -0.76 0.00 0.00 175.35 173.80 3dni s GLU 78 N -1.45 0.41 0.26 1.68 2.02 -0.76 -4.62 118.70 116.23 3dni s GLU 78 Ca -0.02 -0.80 0.07 0.00 0.02 0.00 0.00 54.97 54.24 3dni s GLU 78 Cb -0.09 0.14 -0.03 0.00 0.10 0.00 0.00 34.13 34.24 3dni s GLU 78 CO 0.02 -0.07 0.22 1.03 0.02 0.00 0.00 175.26 176.47 3dni s ARG 79 N -2.24 2.96 -0.24 1.61 0.52 -0.00 -0.19 118.95 121.37 3dni s ARG 79 Ca -0.09 -1.04 -0.10 0.00 -0.52 0.00 0.00 55.73 53.98 3dni s ARG 79 Cb -0.04 -2.59 -0.05 0.00 0.52 0.00 0.00 34.95 32.79 3dni s ARG 79 CO -0.04 0.39 0.14 0.71 0.02 0.00 0.00 175.30 176.52 3dni s TYR 80 N -2.13 3.25 -0.15 -0.53 2.02 -1.26 -3.47 117.35 115.08 3dni s TYR 80 Ca 0.33 0.10 0.01 0.00 -0.37 0.00 0.00 57.07 57.14 3dni s TYR 80 Cb -0.08 -2.27 0.00 0.00 -0.40 0.00 0.00 41.96 39.21 3dni s TYR 80 CO 0.25 -0.03 -0.17 -1.17 -1.57 0.00 0.00 175.55 172.86 3dni s LEU 81 N 1.22 2.38 -0.24 -1.29 2.96 -0.08 -1.62 118.68 122.00 3dni s LEU 81 Ca 0.07 -0.51 -0.07 0.00 -0.22 0.00 0.00 54.13 53.40 3dni s LEU 81 Cb -0.14 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 3dni s LEU 81 CO 0.05 0.08 0.05 -0.36 -1.32 0.00 0.00 176.35 174.86 3dni s PHE 82 N 0.84 3.08 -0.07 5.38 0.40 -0.18 0.14 117.98 127.56 3dni s PHE 82 Ca -0.05 -0.45 -0.02 0.00 -0.60 0.00 0.00 56.93 55.81 3dni s PHE 82 Cb -0.15 -2.20 -0.03 0.00 0.51 0.00 0.00 43.02 41.14 3dni s PHE 82 CO -0.01 -0.34 0.01 -0.51 0.70 0.00 0.00 175.22 175.07 3dni s LEU 83 N 1.47 3.62 -0.01 -0.37 1.43 0.23 -2.00 118.68 123.05 3dni s LEU 83 Ca 0.06 0.14 -0.18 0.00 -1.03 0.00 0.00 54.13 53.11 3dni s LEU 83 Cb -0.15 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.23 3dni s LEU 83 CO 0.03 0.36 0.39 0.72 0.23 0.00 0.00 176.35 178.08 3dni s PHE 84 N -0.93 -0.28 -0.32 0.29 -0.71 -0.63 -0.24 117.98 115.16 3dni s PHE 84 Ca 0.15 0.43 -0.22 0.00 -1.04 0.00 0.00 56.93 56.24 3dni s PHE 84 Cb -0.11 0.17 0.00 0.00 -1.21 0.00 0.00 43.02 41.87 3dni s PHE 84 CO 0.04 -0.45 0.74 1.03 -1.34 0.00 0.00 175.22 175.23 3dni s ARG 85 N -1.43 3.88 0.40 1.99 0.52 -0.58 -0.85 118.95 122.87 3dni s ARG 85 Ca -0.12 0.41 0.29 0.00 -0.52 0.00 0.00 55.73 55.79 3dni s ARG 85 Cb -0.04 -3.75 1.29 0.00 0.52 0.00 0.00 34.95 32.97 3dni s ARG 85 CO 0.05 -0.70 1.86 -1.00 0.02 0.00 0.00 175.30 175.52 3dni h PRO 86 N 8.25 0.00 0.00 3.54 0.13 -1.73 -1.07 132.00 141.12 3dni h PRO 86 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3dni h PRO 86 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3dni h PRO 86 CO 0.87 0.00 -0.26 0.27 -0.23 0.00 0.00 178.00 178.64 3dni n ASN 87 N -2.58 0.75 -0.09 1.44 6.94 -1.26 -3.95 115.26 116.51 3dni n ASN 87 Ca 0.00 0.37 -0.11 0.00 -0.02 0.00 0.00 54.58 54.83 3dni n ASN 87 Cb 0.20 -0.38 -0.10 0.00 -2.36 0.00 0.00 39.78 37.14 3dni n ASN 87 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3dni n LYS 88 N -2.17 0.79 -4.12 -3.83 4.76 -0.49 -5.07 118.16 108.02 3dni n LYS 88 Ca 0.05 0.08 -0.09 0.00 -2.87 0.00 0.00 58.31 55.48 3dni n LYS 88 Cb 0.43 -1.38 -0.10 0.00 -1.84 0.00 0.00 35.03 32.14 3dni n LYS 88 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3dni s VAL 89 N -2.37 0.31 0.01 -0.18 1.01 -0.68 -4.25 120.40 114.25 3dni s VAL 89 Ca -0.20 -1.86 0.01 0.00 0.00 0.00 0.00 61.98 59.92 3dni s VAL 89 Cb 0.06 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 3dni s VAL 89 CO 0.48 -0.84 -0.03 -0.55 0.00 0.00 0.00 175.10 174.16 3dni s SER 90 N -2.98 0.31 -0.25 3.32 0.15 -0.59 -4.16 113.70 109.50 3dni s SER 90 Ca 0.12 -0.22 -0.18 0.00 0.70 0.00 0.00 55.95 56.36 3dni s SER 90 Cb 0.07 0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.37 3dni s SER 90 CO -0.06 -0.09 0.53 -0.69 1.20 0.00 0.00 173.24 174.13 3dni s VAL 91 N -0.59 5.07 -0.07 4.45 1.01 -1.26 -0.82 120.40 128.18 3dni s VAL 91 Ca -0.05 0.92 -0.04 0.00 0.00 0.00 0.00 61.98 62.81 3dni s VAL 91 Cb -0.04 -3.84 -0.27 0.00 0.00 0.00 0.00 36.38 32.22 3dni s VAL 91 CO -0.00 0.10 0.57 -0.07 0.00 0.00 0.00 175.10 175.69 3dni h LEU 92 N 8.65 0.39 -7.27 3.92 3.38 -0.95 -3.48 115.31 119.94 3dni h LEU 92 Ca -0.29 -0.73 0.14 0.00 0.09 0.00 0.00 57.88 57.08 3dni h LEU 92 Cb 1.14 -0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.64 3dni h LEU 92 CO 0.73 1.64 0.49 -0.62 0.09 0.00 0.00 178.44 180.76 3dni s ASP 93 N -6.94 -0.29 0.03 -0.43 2.15 -1.20 -5.02 116.67 104.98 3dni s ASP 93 Ca -0.16 -0.17 -0.18 0.00 0.43 0.00 0.00 52.55 52.47 3dni s ASP 93 Cb 0.07 0.43 0.04 0.00 -0.30 0.00 0.00 42.92 43.15 3dni s ASP 93 CO 0.81 -0.74 0.41 0.28 -0.17 0.00 0.00 175.17 175.76 3dni s THR 94 N -3.20 0.05 0.07 1.71 -1.32 -1.26 -1.19 115.64 110.50 3dni s THR 94 Ca 0.08 -0.44 -0.26 0.00 -1.21 0.00 0.00 61.69 59.86 3dni s THR 94 Cb -0.01 -0.92 0.08 0.00 -1.51 0.00 0.00 72.50 70.14 3dni s THR 94 CO -0.04 -0.24 0.67 -0.72 -2.21 0.00 0.00 174.62 172.07 3dni s TYR 95 N -2.29 -0.55 -0.16 9.09 -0.85 -0.11 -5.01 117.35 117.47 3dni s TYR 95 Ca -0.06 0.56 -0.12 0.00 -0.52 0.00 0.00 57.07 56.93 3dni s TYR 95 Cb -0.01 0.51 -0.05 0.00 0.38 0.00 0.00 41.96 42.79 3dni s TYR 95 CO -0.01 -0.73 0.23 -1.14 -1.52 0.00 0.00 175.55 172.38 3dni s GLN 96 N -2.82 4.13 0.20 -3.49 2.00 -1.26 -0.54 119.66 117.88 3dni s GLN 96 Ca -0.02 -0.01 -0.31 0.00 -2.00 0.00 0.00 55.36 53.02 3dni s GLN 96 Cb -0.01 -3.39 -0.10 0.00 0.80 0.00 0.00 33.01 30.32 3dni s GLN 96 CO -0.05 0.34 1.45 -0.47 -0.50 0.00 0.00 175.29 176.06 3dni s TYR 97 N 0.19 3.09 -0.60 1.67 5.04 0.66 -4.95 117.35 122.47 3dni s TYR 97 Ca 0.14 0.93 -0.21 0.00 -2.44 0.00 0.00 57.07 55.49 3dni s TYR 97 Cb -0.12 -3.80 0.07 0.00 0.35 0.00 0.00 41.96 38.46 3dni s TYR 97 CO 0.03 -2.74 0.84 0.34 -1.34 0.00 0.00 175.55 172.67 3dni s ASP 98 N 0.69 6.21 0.00 4.32 2.15 -1.26 -4.71 116.67 124.07 3dni s ASP 98 Ca 0.63 -0.99 0.27 0.00 0.43 0.00 0.00 52.55 52.89 3dni s ASP 98 Cb -0.41 -2.37 0.87 0.00 -0.30 0.00 0.00 42.92 40.71 3dni s ASP 98 CO 0.37 -1.23 1.64 -0.90 -0.17 0.00 0.00 175.17 174.88 3dni n ASP 99 N 7.05 1.07 0.00 -0.34 5.75 -1.26 -5.08 116.55 123.74 3dni n ASP 99 Ca -0.05 -0.99 0.00 0.00 -0.01 0.00 0.00 54.79 53.74 3dni n ASP 99 Cb 0.45 0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 3dni n ASP 99 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dni n GLY 100 N 1.30 -0.12 1.10 6.12 0.00 -1.26 -3.37 105.19 108.95 3dni n GLY 100 Ca 0.14 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.04 3dni n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dni n GLY 105 N -0.42 1.34 0.08 0.00 0.00 -1.26 -5.01 105.19 99.91 3dni n GLY 105 Ca 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 3dni n GLY 105 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dni n ASN 106 N 0.04 0.41 -4.75 1.61 3.02 -1.26 -4.99 115.26 109.33 3dni n ASN 106 Ca 0.00 0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 54.31 3dni n ASN 106 Cb 0.00 0.83 -0.01 0.00 -0.61 0.00 0.00 39.78 39.99 3dni n ASN 106 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3dni n ASP 107 N -2.70 3.57 -0.03 6.41 5.75 -1.26 -4.84 116.55 123.46 3dni n ASP 107 Ca -0.15 1.20 0.13 0.00 -0.01 0.00 0.00 54.79 55.96 3dni n ASP 107 Cb 0.88 -1.58 0.48 0.00 -1.03 0.00 0.00 41.12 39.87 3dni n ASP 107 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3dni n SER 108 N 1.05 0.30 -4.03 -1.12 3.41 -1.22 -4.93 113.62 107.09 3dni n SER 108 Ca 0.04 -0.03 -0.12 0.00 -0.26 0.00 0.00 58.87 58.50 3dni n SER 108 Cb 0.37 -0.12 -0.12 0.00 -0.26 0.00 0.00 64.21 64.09 3dni n SER 108 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3dni s PHE 109 N -2.88 0.52 -0.02 7.33 0.08 -1.26 -4.63 117.98 117.13 3dni s PHE 109 Ca 0.16 -0.47 -0.22 0.00 0.12 0.00 0.00 56.93 56.53 3dni s PHE 109 Cb 0.19 -0.32 -0.22 0.00 -0.57 0.00 0.00 43.02 42.09 3dni s PHE 109 CO 0.58 -0.11 1.10 1.03 -0.10 0.00 0.00 175.22 177.72 3dni h SER 110 N 4.68 0.38 -3.45 1.36 0.87 -1.92 -3.38 113.55 112.10 3dni h SER 110 Ca -0.34 -0.73 -0.63 0.00 -1.23 0.00 0.00 61.79 58.86 3dni h SER 110 Cb 1.20 -0.12 -0.42 0.00 -0.44 0.00 0.00 62.40 62.63 3dni h SER 110 CO 0.42 1.06 -0.59 -0.13 -0.53 0.00 0.00 176.83 177.06 3dni s ARG 111 N -3.30 2.32 0.24 2.24 0.52 -1.26 -2.92 118.95 116.79 3dni s ARG 111 Ca -0.14 -3.14 -0.30 0.00 -0.52 0.00 0.00 55.73 51.63 3dni s ARG 111 Cb 0.03 -3.38 -0.15 0.00 0.52 0.00 0.00 34.95 31.96 3dni s ARG 111 CO 0.78 -1.24 1.02 -0.85 0.02 0.00 0.00 175.30 175.03 3dni n GLU 112 N 2.29 1.18 -1.75 3.54 0.00 -1.26 -4.64 120.64 120.00 3dni n GLU 112 Ca 0.16 0.41 -0.42 0.00 0.00 0.00 0.00 57.16 57.31 3dni n GLU 112 Cb 0.34 -1.80 -0.01 0.00 0.00 0.00 0.00 31.44 29.97 3dni n GLU 112 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3dni n PRO 113 N 1.11 2.60 -3.27 3.44 -0.02 -1.26 -4.72 135.00 132.87 3dni n PRO 113 Ca 0.12 0.92 -0.37 0.00 -2.02 0.00 0.00 63.50 62.15 3dni n PRO 113 Cb 0.29 -2.65 -0.06 0.00 -0.02 0.00 0.00 33.50 31.06 3dni n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dni s ALA 114 N -0.55 3.56 -0.07 3.55 0.00 -1.25 -0.24 121.76 126.77 3dni s ALA 114 Ca 0.59 0.00 0.02 0.00 0.00 0.00 0.00 51.96 52.58 3dni s ALA 114 Cb -0.50 -2.63 0.01 0.00 0.00 0.00 0.00 23.12 20.00 3dni s ALA 114 CO 0.56 0.41 -0.13 0.08 0.00 0.00 0.00 175.76 176.68 3dni s VAL 115 N -1.29 1.20 -0.04 0.00 1.01 0.30 -1.88 120.40 119.70 3dni s VAL 115 Ca 0.34 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.83 3dni s VAL 115 Cb -0.18 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.12 3dni s VAL 115 CO 0.19 0.37 -0.10 -0.69 0.00 0.00 0.00 175.10 174.88 3dni s VAL 116 N 0.67 0.89 -0.23 2.92 1.01 -0.92 -0.93 120.40 123.82 3dni s VAL 116 Ca -0.14 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 3dni s VAL 116 Cb -0.16 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 3dni s VAL 116 CO 0.04 0.29 0.11 -0.75 0.00 0.00 0.00 175.10 174.78 3dni s LYS 117 N 0.44 3.91 0.19 2.72 2.20 -0.34 -0.30 119.74 128.56 3dni s LYS 117 Ca -0.08 -0.36 0.08 0.00 -0.36 0.00 0.00 55.97 55.25 3dni s LYS 117 Cb -0.12 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 3dni s LYS 117 CO 0.02 0.03 0.00 -0.06 -0.36 0.00 0.00 175.35 174.98 3dni s PHE 118 N 1.07 2.83 -0.20 4.03 0.08 0.67 -0.25 117.98 126.22 3dni s PHE 118 Ca 0.05 -0.15 -0.02 0.00 0.12 0.00 0.00 56.93 56.93 3dni s PHE 118 Cb -0.14 -1.35 -0.00 0.00 -0.57 0.00 0.00 43.02 40.96 3dni s PHE 118 CO 0.04 0.53 -0.09 0.45 -0.10 0.00 0.00 175.22 176.05 3dni s SER 119 N -3.07 4.05 -0.24 1.36 0.15 -0.00 -2.11 113.70 113.84 3dni s SER 119 Ca 0.28 -0.42 -0.02 0.00 0.70 0.00 0.00 55.95 56.49 3dni s SER 119 Cb -0.09 -1.67 0.07 0.00 -1.71 0.00 0.00 66.02 62.62 3dni s SER 119 CO 0.19 0.02 0.04 -0.55 1.20 0.00 0.00 173.24 174.13 3dni s SER 120 N 1.23 3.44 0.16 5.45 0.15 -0.78 -1.54 113.70 121.81 3dni s SER 120 Ca 0.03 -1.14 0.14 0.00 0.70 0.00 0.00 55.95 55.68 3dni s SER 120 Cb -0.14 -0.79 -0.07 0.00 -1.71 0.00 0.00 66.02 63.31 3dni s SER 120 CO -0.03 -0.32 1.19 0.45 1.20 0.00 0.00 173.24 175.72 3dni h HIS 121 N 8.14 0.00 0.00 3.44 3.86 -1.83 -3.33 115.15 125.43 3dni h HIS 121 Ca -0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 3dni h HIS 121 Cb 1.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.55 3dni h HIS 121 CO 0.35 0.66 0.00 -1.13 0.86 0.00 0.00 177.93 178.67 3dni n SER 122 N -3.15 0.37 -4.77 2.45 3.41 -1.26 -4.89 113.62 105.78 3dni n SER 122 Ca -0.03 0.55 -0.23 0.00 -0.26 0.00 0.00 58.87 58.90 3dni n SER 122 Cb 0.83 -0.64 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 3dni n SER 122 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3dni s THR 123 N -3.07 2.80 0.11 6.66 -4.23 -1.25 -4.95 115.64 111.70 3dni s THR 123 Ca 0.11 -1.60 -0.25 0.00 -1.18 0.00 0.00 61.69 58.76 3dni s THR 123 Cb 0.14 -3.00 -0.09 0.00 1.34 0.00 0.00 72.50 70.89 3dni s THR 123 CO 0.51 -0.10 1.67 0.11 -0.54 0.00 0.00 174.62 176.27 3dni h LYS 124 N 1.39 -0.30 -6.48 3.99 1.57 -1.89 -3.37 116.57 111.50 3dni h LYS 124 Ca -0.43 0.02 -0.53 0.00 -1.87 0.00 0.00 60.65 57.83 3dni h LYS 124 Cb 1.26 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.64 3dni h LYS 124 CO 0.64 -0.20 0.60 0.08 -0.57 0.00 0.00 179.45 180.00 3dni s VAL 125 N -6.12 3.94 -0.46 0.50 1.01 -1.26 -4.92 120.40 113.07 3dni s VAL 125 Ca -0.15 1.38 0.22 0.00 0.00 0.00 0.00 61.98 63.43 3dni s VAL 125 Cb 0.08 -3.89 -0.26 0.00 0.00 0.00 0.00 36.38 32.31 3dni s VAL 125 CO 0.66 0.10 0.71 0.29 0.00 0.00 0.00 175.10 176.86 3dni n LYS 126 N 4.07 0.37 -3.71 2.72 4.76 -1.26 -4.66 118.16 120.45 3dni n LYS 126 Ca 0.10 -0.10 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 3dni n LYS 126 Cb 0.46 -1.53 -0.10 0.00 -1.84 0.00 0.00 35.03 32.02 3dni n LYS 126 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3dni s GLU 127 N -3.28 0.44 0.16 1.97 2.12 -1.26 -1.87 118.70 116.97 3dni s GLU 127 Ca -0.00 0.72 -0.24 0.00 0.36 0.00 0.00 54.97 55.81 3dni s GLU 127 Cb 0.15 0.08 0.06 0.00 0.26 0.00 0.00 34.13 34.68 3dni s GLU 127 CO 0.88 -0.12 0.71 -0.59 -0.54 0.00 0.00 175.26 175.59 3dni s PHE 128 N 0.95 -0.40 0.10 5.30 -0.12 -0.90 -4.84 117.98 118.08 3dni s PHE 128 Ca -0.06 0.14 0.09 0.00 -0.05 0.00 0.00 56.93 57.05 3dni s PHE 128 Cb -0.06 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.88 3dni s PHE 128 CO -0.08 -0.88 -0.20 0.00 -0.05 0.00 0.00 175.22 174.02 3dni s ALA 129 N -3.64 2.61 -0.07 1.99 0.00 -1.07 -0.23 121.76 121.35 3dni s ALA 129 Ca 0.05 -1.34 0.05 0.00 0.00 0.00 0.00 51.96 50.72 3dni s ALA 129 Cb -0.02 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 3dni s ALA 129 CO -0.07 0.58 -0.24 0.42 0.00 0.00 0.00 175.76 176.45 3dni s ILE 130 N -1.08 1.99 -0.22 0.00 1.01 0.59 0.06 121.20 123.55 3dni s ILE 130 Ca 0.17 -1.02 -0.05 0.00 0.00 0.00 0.00 60.65 59.75 3dni s ILE 130 Cb -0.10 -1.70 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 3dni s ILE 130 CO 0.08 0.55 -0.02 -0.69 0.00 0.00 0.00 174.94 174.87 3dni s VAL 131 N 0.01 3.62 -0.12 2.92 1.01 0.79 -2.17 120.40 126.46 3dni s VAL 131 Ca -0.08 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 3dni s VAL 131 Cb -0.15 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 3dni s VAL 131 CO 0.05 0.41 0.24 0.00 0.00 0.00 0.00 175.10 175.80 3dni s ALA 132 N 1.41 3.73 -0.05 5.51 0.00 -0.79 -1.09 121.76 130.48 3dni s ALA 132 Ca 0.05 -0.51 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 3dni s ALA 132 Cb -0.14 -2.20 0.04 0.00 0.00 0.00 0.00 23.12 20.81 3dni s ALA 132 CO -0.01 0.37 0.09 -1.17 0.00 0.00 0.00 175.76 175.05 3dni s LEU 133 N -0.41 0.27 -0.49 0.00 2.96 -0.78 -3.75 118.68 116.47 3dni s LEU 133 Ca 0.16 0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 54.18 3dni s LEU 133 Cb -0.13 0.05 0.13 0.00 0.50 0.00 0.00 46.19 46.73 3dni s LEU 133 CO 0.05 -0.22 0.33 -2.28 -1.32 0.00 0.00 176.35 172.91 3dni s HIS 134 N 1.95 3.50 0.84 5.38 5.65 -1.26 -2.55 115.29 128.80 3dni s HIS 134 Ca 0.01 -2.21 -0.11 0.00 0.25 0.00 0.00 55.06 53.00 3dni s HIS 134 Cb -0.12 -3.37 0.10 0.00 -1.18 0.00 0.00 32.58 28.00 3dni s HIS 134 CO -0.04 -0.96 1.09 -1.54 -0.65 0.00 0.00 174.74 172.64 3dni s SER 135 N 2.03 4.04 -0.20 9.88 1.04 -0.44 -4.58 113.70 125.47 3dni s SER 135 Ca 0.09 1.41 -0.20 0.00 0.48 0.00 0.00 55.95 57.73 3dni s SER 135 Cb -0.23 -2.12 -0.03 0.00 0.10 0.00 0.00 66.02 63.74 3dni s SER 135 CO -0.03 -2.27 0.57 0.00 0.98 0.00 0.00 173.24 172.49 3dni s ALA 136 N -3.05 3.54 0.19 5.32 0.00 -1.26 -4.86 121.76 121.65 3dni s ALA 136 Ca 0.62 -0.34 -0.24 0.00 0.00 0.00 0.00 51.96 52.01 3dni s ALA 136 Cb -0.16 -2.88 0.09 0.00 0.00 0.00 0.00 23.12 20.17 3dni s ALA 136 CO 0.55 -0.48 1.55 -1.35 0.00 0.00 0.00 175.76 176.03 3dni h PRO 137 N 7.46 -0.08 -0.99 0.00 0.11 -1.95 0.28 132.00 136.83 3dni h PRO 137 Ca -0.33 0.01 0.23 0.00 0.11 0.00 0.00 66.00 66.02 3dni h PRO 137 Cb 1.15 0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.19 3dni h PRO 137 CO 0.75 -0.05 0.63 0.77 -0.21 0.00 0.00 178.00 179.90 3dni h SER 138 N -0.08 0.53 -0.13 -2.05 0.02 -1.93 -2.90 113.55 107.01 3dni h SER 138 Ca 0.24 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.22 3dni h SER 138 Cb 0.54 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 3dni h SER 138 CO -0.87 0.16 -0.16 0.47 -1.14 0.00 0.00 176.83 175.28 3dni n ASP 139 N -4.64 2.46 -0.10 3.07 8.00 0.81 -4.83 116.55 121.32 3dni n ASP 139 Ca 0.23 -3.48 -0.07 0.00 0.71 0.00 0.00 54.79 52.18 3dni n ASP 139 Cb 0.75 -0.53 -0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3dni n ASP 139 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dni h ALA 140 N 0.84 -0.05 0.06 2.24 0.00 -0.82 -2.06 119.26 119.47 3dni h ALA 140 Ca 0.06 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3dni h ALA 140 Cb 1.24 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 19.56 3dni h ALA 140 CO 0.14 -0.65 -0.33 0.28 0.00 0.00 0.00 179.25 178.69 3dni h VAL 141 N -0.20 0.29 -0.53 0.00 2.07 -1.86 0.06 116.25 116.07 3dni h VAL 141 Ca 0.18 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.79 3dni h VAL 141 Cb 0.48 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 3dni h VAL 141 CO -0.48 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.23 3dni h ALA 142 N 0.13 0.61 -0.06 1.67 0.00 -1.89 -1.13 119.26 118.60 3dni h ALA 142 Ca 0.04 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dni h ALA 142 Cb 0.58 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3dni h ALA 142 CO -0.23 -0.29 0.03 1.49 0.00 0.00 0.00 179.25 180.25 3dni h GLU 143 N 0.26 0.08 -0.82 0.00 4.57 -1.24 -1.33 114.58 116.11 3dni h GLU 143 Ca 0.27 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.40 3dni h GLU 143 Cb 0.36 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.90 3dni h GLU 143 CO -0.33 0.18 0.36 0.82 -1.18 0.00 0.00 179.01 178.85 3dni h ILE 144 N -0.03 1.26 -0.82 2.32 2.04 -0.87 -2.69 117.51 118.72 3dni h ILE 144 Ca 0.02 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.11 3dni h ILE 144 Cb 0.12 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.41 3dni h ILE 144 CO -0.00 0.32 0.55 -1.13 0.00 0.00 0.00 178.15 177.89 3dni h ASN 145 N 1.18 0.94 0.88 1.72 -1.24 -1.09 -2.13 115.58 115.84 3dni h ASN 145 Ca 0.28 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.26 3dni h ASN 145 Cb 0.17 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 38.98 3dni h ASN 145 CO -0.03 0.68 0.00 0.28 -1.29 0.00 0.00 177.43 177.07 3dni h SER 146 N 1.12 0.00 0.49 1.15 0.02 -0.92 -2.46 113.55 112.94 3dni h SER 146 Ca 0.30 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.25 3dni h SER 146 Cb -0.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 3dni h SER 146 CO -0.07 0.00 -0.00 -0.07 -1.14 0.00 0.00 176.83 175.55 3dni h LEU 147 N 0.00 0.00 -0.83 5.07 3.38 -1.14 -0.03 115.31 121.76 3dni h LEU 147 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3dni h LEU 147 Cb 0.44 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3dni h LEU 147 CO 0.00 0.00 0.26 0.22 0.09 0.00 0.00 178.44 179.01 3dni h TYR 148 N 0.00 1.16 -0.27 1.13 3.20 -1.57 -1.15 116.97 119.46 3dni h TYR 148 Ca -0.00 -0.10 -0.12 0.00 3.14 0.00 0.00 58.73 61.65 3dni h TYR 148 Cb 0.25 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 3dni h TYR 148 CO 0.00 0.90 -0.32 -0.44 -1.64 0.00 0.00 178.16 176.66 3dni h ASP 149 N 1.09 0.60 -0.03 -2.11 3.32 -1.19 -2.77 116.42 115.33 3dni h ASP 149 Ca 0.24 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3dni h ASP 149 Cb 0.26 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3dni h ASP 149 CO -0.01 0.88 0.01 0.58 -1.72 0.00 0.00 179.24 178.98 3dni h VAL 150 N 0.49 1.08 -0.57 -1.35 2.07 -1.21 -1.23 116.25 115.53 3dni h VAL 150 Ca 0.06 -0.22 0.11 0.00 0.82 0.00 0.00 66.70 67.47 3dni h VAL 150 Cb 0.79 1.18 -0.11 0.00 -1.52 0.00 0.00 31.29 31.63 3dni h VAL 150 CO 0.06 0.06 -0.30 0.22 0.02 0.00 0.00 177.57 177.63 3dni h TYR 151 N -0.05 -0.81 -0.70 1.57 3.20 -0.94 0.18 116.97 119.42 3dni h TYR 151 Ca 0.01 0.07 0.13 0.00 3.14 0.00 0.00 58.73 62.07 3dni h TYR 151 Cb 0.09 0.44 -0.09 0.00 1.54 0.00 0.00 36.73 38.71 3dni h TYR 151 CO -0.05 -0.36 0.24 1.25 -1.64 0.00 0.00 178.16 177.60 3dni h LEU 152 N -0.15 0.19 -1.03 2.82 5.85 -1.30 0.58 115.31 122.28 3dni h LEU 152 Ca 0.24 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 59.03 3dni h LEU 152 Cb 0.54 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3dni h LEU 152 CO -0.66 0.08 0.30 -0.78 -0.34 0.00 0.00 178.44 177.04 3dni h ASP 153 N 0.39 0.90 -0.51 1.25 3.58 0.53 0.79 116.42 123.35 3dni h ASP 153 Ca 0.38 -0.11 -0.04 0.00 0.42 0.00 0.00 57.03 57.67 3dni h ASP 153 Cb 0.55 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 3dni h ASP 153 CO -0.39 0.79 0.16 0.58 -2.88 0.00 0.00 179.24 177.49 3dni h VAL 154 N 0.98 1.23 -0.59 2.25 2.07 0.01 -1.92 116.25 120.27 3dni h VAL 154 Ca 0.23 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 3dni h VAL 154 Cb 0.15 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3dni h VAL 154 CO -0.03 0.29 0.11 1.56 0.02 0.00 0.00 177.57 179.52 3dni h GLN 155 N 0.70 0.94 -0.10 1.57 4.20 -0.12 0.65 115.11 122.96 3dni h GLN 155 Ca 0.17 -0.22 -0.15 0.00 0.06 0.00 0.00 58.65 58.50 3dni h GLN 155 Cb 0.28 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3dni h GLN 155 CO -0.00 0.87 -0.60 1.96 -0.67 0.00 0.00 178.83 180.38 3dni h GLN 156 N 0.89 0.34 0.00 1.46 4.20 -0.69 -0.18 115.11 121.13 3dni h GLN 156 Ca 0.19 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 3dni h GLN 156 Cb 0.38 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3dni h GLN 156 CO 0.01 0.83 -0.21 0.87 -0.67 0.00 0.00 178.83 179.66 3dni h LYS 157 N 0.25 0.00 0.00 1.46 1.57 -1.15 -3.40 116.57 115.30 3dni h LYS 157 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dni h LYS 157 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3dni h LYS 157 CO 0.10 0.71 -0.97 0.91 -0.57 0.00 0.00 179.45 179.64 3dni n TRP 158 N -4.62 0.00 -2.53 -1.35 8.01 0.20 -4.98 117.44 112.17 3dni n TRP 158 Ca -0.11 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 55.93 3dni n TRP 158 Cb 0.39 -0.05 0.01 0.00 -2.01 0.00 0.00 31.31 29.64 3dni n TRP 158 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 3dni n HIS 159 N -1.51 -1.04 -4.96 -5.99 8.25 -0.08 -4.99 115.22 104.91 3dni n HIS 159 Ca 0.03 0.18 -0.32 0.00 -0.26 0.00 0.00 57.72 57.34 3dni n HIS 159 Cb 0.30 -3.29 -0.14 0.00 1.12 0.00 0.00 29.99 27.98 3dni n HIS 159 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3dni s LEU 160 N -4.55 2.63 -0.13 2.41 2.96 -1.26 -4.99 118.68 115.75 3dni s LEU 160 Ca 0.10 -0.24 0.19 0.00 -0.22 0.00 0.00 54.13 53.97 3dni s LEU 160 Cb -0.05 -1.52 -0.28 0.00 0.50 0.00 0.00 46.19 44.85 3dni s LEU 160 CO 0.13 0.34 0.22 0.59 -1.32 0.00 0.00 176.35 176.31 3dni n ASN 161 N 2.34 0.12 -4.56 3.68 5.03 -1.26 -4.18 115.26 116.43 3dni n ASN 161 Ca -0.17 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 54.96 3dni n ASN 161 Cb 0.52 1.37 -0.04 0.00 -1.02 0.00 0.00 39.78 40.61 3dni n ASN 161 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3dni s ASP 162 N -5.06 5.56 -0.03 6.41 1.01 -1.26 -3.29 116.67 120.02 3dni s ASP 162 Ca -0.09 -0.74 0.02 0.00 0.71 0.00 0.00 52.55 52.44 3dni s ASP 162 Cb 0.09 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.47 3dni s ASP 162 CO 0.84 -2.34 -0.06 -0.69 0.21 0.00 0.00 175.17 173.14 3dni s VAL 163 N 8.42 0.56 -0.18 -1.27 1.01 -0.74 -2.60 120.40 125.60 3dni s VAL 163 Ca 0.62 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.35 3dni s VAL 163 Cb -0.06 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 3dni s VAL 163 CO 0.00 0.20 -0.01 -0.32 0.00 0.00 0.00 175.10 174.97 3dni s MET 164 N 0.47 3.64 -0.20 2.72 1.75 0.11 -1.65 119.30 126.14 3dni s MET 164 Ca -0.06 -0.52 -0.05 0.00 -1.25 0.00 0.00 55.69 53.81 3dni s MET 164 Cb -0.10 -3.02 -0.03 0.00 2.84 0.00 0.00 34.83 34.53 3dni s MET 164 CO 0.00 0.11 0.01 -0.51 -0.65 0.00 0.00 175.02 173.98 3dni s LEU 165 N 0.74 3.31 0.08 4.11 1.02 0.57 -0.15 118.68 128.36 3dni s LEU 165 Ca -0.01 -0.19 -0.13 0.00 0.02 0.00 0.00 54.13 53.83 3dni s LEU 165 Cb -0.14 -1.85 0.02 0.00 0.02 0.00 0.00 46.19 44.24 3dni s LEU 165 CO 0.02 0.06 0.31 -0.32 0.02 0.00 0.00 176.35 176.44 3dni s MET 166 N 1.03 0.90 0.00 1.70 1.75 -0.25 -0.42 119.30 124.01 3dni s MET 166 Ca 0.02 -0.68 0.00 0.00 -1.25 0.00 0.00 55.69 53.78 3dni s MET 166 Cb -0.14 0.39 0.00 0.00 2.84 0.00 0.00 34.83 37.91 3dni s MET 166 CO 0.02 -0.31 0.00 0.41 -0.65 0.00 0.00 175.02 174.49 3dni n GLY 167 N 0.17 0.35 3.49 2.11 0.00 -0.95 -1.88 105.19 108.48 3dni n GLY 167 Ca -0.17 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 3dni n GLY 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dni s ASP 168 N -4.00 6.30 0.00 1.61 2.15 -1.06 -1.37 116.67 120.30 3dni s ASP 168 Ca 0.00 -1.12 0.26 0.00 0.43 0.00 0.00 52.55 52.12 3dni s ASP 168 Cb 0.00 -2.47 0.76 0.00 -0.30 0.00 0.00 42.92 40.91 3dni s ASP 168 CO 0.00 -1.48 1.57 0.49 -0.17 0.00 0.00 175.17 175.58 3dni n PHE 169 N 8.06 0.00 -2.95 -5.34 3.72 -0.27 -1.33 117.46 119.34 3dni n PHE 169 Ca 0.08 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.27 3dni n PHE 169 Cb 0.48 -0.14 0.01 0.00 -0.94 0.00 0.00 39.48 38.89 3dni n PHE 169 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3dni n ASN 170 N -0.77 -5.18 -1.54 4.37 3.02 -0.81 -4.67 115.26 109.68 3dni n ASN 170 Ca 0.11 -0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 3dni n ASN 170 Cb 0.34 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.27 3dni n ASN 170 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dni n ALA 171 N -3.18 3.30 -3.82 5.41 0.00 -1.15 -3.96 120.51 117.12 3dni n ALA 171 Ca -0.11 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.38 3dni n ALA 171 Cb 0.61 -1.20 0.02 0.00 0.00 0.00 0.00 19.45 18.88 3dni n ALA 171 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3dni n ASP 172 N 1.50 -1.84 0.00 0.00 2.03 -1.26 -4.73 116.55 112.25 3dni n ASP 172 Ca 0.00 -2.09 0.00 0.00 0.52 0.00 0.00 54.79 53.22 3dni n ASP 172 Cb 0.39 3.02 0.00 0.00 -0.72 0.00 0.00 41.12 43.81 3dni n ASP 172 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dni h SER 174 N 0.00 0.00 0.32 0.00 0.02 -2.00 -3.34 113.55 108.55 3dni h SER 174 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 3dni h SER 174 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3dni h SER 174 CO 0.00 0.28 -1.66 1.88 -1.14 0.00 0.00 176.83 176.19 3dni h TYR 175 N 0.00 0.55 -3.11 3.45 0.05 -1.69 -3.42 116.97 112.81 3dni h TYR 175 Ca -0.00 -0.40 -0.55 0.00 0.05 0.00 0.00 58.73 57.82 3dni h TYR 175 Cb 0.63 -0.02 -0.40 0.00 1.01 0.00 0.00 36.73 37.95 3dni h TYR 175 CO 0.00 1.52 -0.76 0.08 -1.05 0.00 0.00 178.16 177.94 3dni s VAL 176 N -2.60 0.54 0.60 -2.88 1.01 -1.16 -4.37 120.40 111.55 3dni s VAL 176 Ca -0.12 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.88 3dni s VAL 176 Cb 0.06 -1.30 0.06 0.00 0.00 0.00 0.00 36.38 35.20 3dni s VAL 176 CO 0.85 -0.54 0.84 0.42 0.00 0.00 0.00 175.10 176.67 3dni s THR 177 N 1.81 2.50 0.17 3.92 -4.23 -1.26 -3.76 115.64 114.80 3dni s THR 177 Ca 0.06 -0.62 -0.21 0.00 -1.18 0.00 0.00 61.69 59.74 3dni s THR 177 Cb -0.17 -2.88 0.09 0.00 1.34 0.00 0.00 72.50 70.88 3dni s THR 177 CO -0.22 0.00 1.61 0.28 -0.54 0.00 0.00 174.62 175.74 3dni h SER 178 N -0.12 -0.97 0.00 3.99 0.02 -2.00 -0.96 113.55 113.51 3dni h SER 178 Ca -0.41 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3dni h SER 178 Cb 1.29 0.48 0.00 0.00 0.14 0.00 0.00 62.40 64.31 3dni h SER 178 CO 0.50 -0.29 0.00 -1.54 -1.14 0.00 0.00 176.83 174.35 3dni n SER 179 N -5.41 0.00 0.01 3.07 3.41 -1.26 -3.60 113.62 109.83 3dni n SER 179 Ca 0.02 -0.88 0.11 0.00 -0.26 0.00 0.00 58.87 57.87 3dni n SER 179 Cb 0.33 -0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.38 3dni n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dni n GLN 180 N -1.00 0.05 0.30 4.33 6.02 -0.37 -4.12 117.38 122.59 3dni n GLN 180 Ca 0.21 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.36 3dni n GLN 180 Cb 0.10 -1.52 0.91 0.00 1.02 0.00 0.00 30.24 30.75 3dni n GLN 180 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 3dni h TRP 181 N 0.00 0.00 0.00 1.08 4.06 -1.66 -1.11 115.95 118.32 3dni h TRP 181 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 3dni h TRP 181 Cb 0.54 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.70 3dni h TRP 181 CO 0.00 0.03 -0.12 0.77 -3.56 0.00 0.00 178.44 175.57 3dni h SER 182 N 0.00 0.00 1.04 -3.49 0.02 -1.85 -2.44 113.55 106.83 3dni h SER 182 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dni h SER 182 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3dni h SER 182 CO 0.00 0.12 0.00 -1.20 -1.14 0.00 0.00 176.83 174.61 3dni n SER 183 N -4.37 0.15 -4.42 3.07 7.64 -0.42 -4.77 113.62 110.50 3dni n SER 183 Ca -0.03 0.52 -0.42 0.00 1.01 0.00 0.00 58.87 59.95 3dni n SER 183 Cb 0.19 -0.56 -0.10 0.00 -1.01 0.00 0.00 64.21 62.73 3dni n SER 183 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3dni s ILE 184 N -3.02 4.99 0.38 0.44 1.01 -0.92 -4.86 121.20 119.22 3dni s ILE 184 Ca 0.13 -0.77 0.21 0.00 0.00 0.00 0.00 60.65 60.22 3dni s ILE 184 Cb 0.17 -3.80 0.21 0.00 0.01 0.00 0.00 42.46 39.05 3dni s ILE 184 CO 0.52 -0.30 1.96 0.03 0.00 0.00 0.00 174.94 177.15 3dni h ARG 185 N 8.56 0.00 0.00 2.79 3.08 -1.86 -0.32 114.38 126.63 3dni h ARG 185 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3dni h ARG 185 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3dni h ARG 185 CO 0.71 0.22 0.00 1.25 -1.07 0.00 0.00 179.97 181.08 3dni h LEU 186 N 0.00 0.00 0.00 3.04 5.85 -1.80 -1.41 115.31 120.98 3dni h LEU 186 Ca -0.00 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.38 3dni h LEU 186 Cb 0.47 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 3dni h LEU 186 CO 0.03 0.00 -2.29 -1.14 -0.34 0.00 0.00 178.44 174.70 3dni n ARG 187 N -2.77 0.60 0.19 1.25 3.00 -0.27 -4.62 116.66 114.04 3dni n ARG 187 Ca 0.01 0.12 0.08 0.00 -0.00 0.00 0.00 57.85 58.06 3dni n ARG 187 Cb 0.26 -1.46 0.18 0.00 0.00 0.00 0.00 32.46 31.45 3dni n ARG 187 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 3dni h THR 188 N 0.00 0.44 -3.24 5.15 1.35 -1.14 -3.42 112.91 112.05 3dni h THR 188 Ca -0.51 -1.50 -0.56 0.00 -0.55 0.00 0.00 66.41 63.29 3dni h THR 188 Cb 1.81 2.12 -0.04 0.00 -1.73 0.00 0.00 68.15 70.31 3dni h THR 188 CO -0.07 0.24 0.58 -0.55 -0.25 0.00 0.00 175.52 175.47 3dni s SER 189 N -6.28 7.22 0.00 5.36 0.15 -0.54 -4.91 113.70 114.70 3dni s SER 189 Ca 0.04 1.58 0.12 0.00 0.70 0.00 0.00 55.95 58.39 3dni s SER 189 Cb 0.07 -2.56 0.73 0.00 -1.71 0.00 0.00 66.02 62.55 3dni s SER 189 CO 0.69 -0.46 1.32 -1.54 1.20 0.00 0.00 173.24 174.45 3dni n SER 190 N 5.00 0.00 0.14 5.45 3.41 -1.26 -3.24 113.62 123.11 3dni n SER 190 Ca 0.09 -1.23 0.01 0.00 -0.26 0.00 0.00 58.87 57.48 3dni n SER 190 Cb 0.48 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.78 3dni n SER 190 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3dni h THR 191 N 0.00 1.23 -3.06 6.66 2.02 -1.94 -3.44 112.91 114.37 3dni h THR 191 Ca 0.00 -1.08 -0.67 0.00 0.77 0.00 0.00 66.41 65.43 3dni h THR 191 Cb 0.00 1.46 -0.12 0.00 -1.74 0.00 0.00 68.15 67.75 3dni h THR 191 CO 0.00 0.32 -0.56 -0.36 0.37 0.00 0.00 175.52 175.29 3dni s PHE 192 N -4.44 3.33 -0.13 3.16 0.08 -1.20 -4.37 117.98 114.41 3dni s PHE 192 Ca -0.04 0.31 -0.00 0.00 0.12 0.00 0.00 56.93 57.31 3dni s PHE 192 Cb 0.15 -1.87 -0.02 0.00 -0.57 0.00 0.00 43.02 40.71 3dni s PHE 192 CO 0.74 0.54 -0.13 -1.14 -0.10 0.00 0.00 175.22 175.13 3dni s GLN 193 N -0.83 3.40 -0.46 0.44 0.74 -0.00 -4.95 119.66 118.01 3dni s GLN 193 Ca 0.13 -0.68 -0.18 0.00 0.05 0.00 0.00 55.36 54.68 3dni s GLN 193 Cb -0.12 -2.65 0.04 0.00 1.10 0.00 0.00 33.01 31.38 3dni s GLN 193 CO 0.03 0.21 0.51 -1.58 -0.55 0.00 0.00 175.29 173.90 3dni s TRP 194 N 0.36 3.13 0.15 1.67 0.52 -1.26 -1.24 118.94 122.27 3dni s TRP 194 Ca -0.10 -0.47 -0.05 0.00 0.02 0.00 0.00 56.10 55.49 3dni s TRP 194 Cb -0.16 -3.16 -0.02 0.00 -1.15 0.00 0.00 33.47 28.98 3dni s TRP 194 CO 0.05 -0.83 1.38 -0.07 0.02 0.00 0.00 176.95 177.51 3dni h LEU 195 N 9.27 0.63 -8.84 2.99 3.38 -1.52 -3.40 115.31 117.82 3dni h LEU 195 Ca -0.27 -0.42 -0.63 0.00 0.09 0.00 0.00 57.88 56.65 3dni h LEU 195 Cb 1.10 -0.19 -0.14 0.00 0.09 0.00 0.00 40.66 41.53 3dni h LEU 195 CO 0.87 1.19 -0.02 -0.63 0.09 0.00 0.00 178.44 179.93 3dni s ILE 196 N -3.63 5.02 0.75 1.22 -1.09 -1.24 -4.84 121.20 117.40 3dni s ILE 196 Ca -0.07 0.57 -0.12 0.00 -2.23 0.00 0.00 60.65 58.80 3dni s ILE 196 Cb 0.10 -3.92 0.04 0.00 -1.58 0.00 0.00 42.46 37.10 3dni s ILE 196 CO 0.86 -0.11 1.13 -2.16 -1.23 0.00 0.00 174.94 173.43 3dni s PRO 197 N 2.40 2.48 0.54 2.79 0.04 -1.26 -4.76 135.00 137.23 3dni s PRO 197 Ca 0.20 0.34 0.30 0.00 0.04 0.00 0.00 61.00 61.88 3dni s PRO 197 Cb -0.15 -1.99 1.56 0.00 0.04 0.00 0.00 34.50 33.95 3dni s PRO 197 CO 0.12 -1.28 2.10 -0.44 0.04 0.00 0.00 177.00 177.54 3dni h ASP 198 N -0.83 0.00 0.11 6.66 3.32 -1.96 -2.66 116.42 121.07 3dni h ASP 198 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3dni h ASP 198 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3dni h ASP 198 CO 0.64 0.09 -0.05 -1.20 -1.72 0.00 0.00 179.24 177.00 3dni n SER 199 N -3.53 0.80 -4.83 6.45 7.64 -1.26 -4.45 113.62 114.44 3dni n SER 199 Ca -0.02 -1.08 -0.33 0.00 1.01 0.00 0.00 58.87 58.46 3dni n SER 199 Cb 0.22 -0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.38 3dni n SER 199 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dni s ALA 200 N -2.17 3.01 -0.34 -0.43 0.00 -1.00 -4.98 121.76 115.85 3dni s ALA 200 Ca 0.37 0.29 -0.06 0.00 0.00 0.00 0.00 51.96 52.57 3dni s ALA 200 Cb 0.21 -3.15 0.05 0.00 0.00 0.00 0.00 23.12 20.23 3dni s ALA 200 CO 0.40 -0.21 0.10 0.34 0.00 0.00 0.00 175.76 176.38 3dni s ASP 201 N -2.74 5.25 -0.13 0.00 2.15 -1.26 -2.73 116.67 117.21 3dni s ASP 201 Ca 0.61 -1.22 0.15 0.00 0.43 0.00 0.00 52.55 52.52 3dni s ASP 201 Cb -0.11 -1.84 0.55 0.00 -0.30 0.00 0.00 42.92 41.21 3dni s ASP 201 CO 0.27 -0.33 1.46 0.35 -0.17 0.00 0.00 175.17 176.74 3dni n THR 202 N 4.77 1.93 -4.74 1.71 -2.24 -0.47 -4.85 114.28 110.39 3dni n THR 202 Ca -0.12 -1.48 -0.33 0.00 -2.27 0.00 0.00 64.05 59.85 3dni n THR 202 Cb 0.44 0.01 -0.13 0.00 -2.10 0.00 0.00 70.33 68.55 3dni n THR 202 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3dni s THR 203 N -2.17 3.34 0.20 4.28 -4.23 -1.25 -1.00 115.64 114.80 3dni s THR 203 Ca 0.41 -0.60 0.24 0.00 -1.18 0.00 0.00 61.69 60.55 3dni s THR 203 Cb 0.29 -2.36 0.23 0.00 1.34 0.00 0.00 72.50 72.00 3dni s THR 203 CO 0.15 0.57 1.86 0.00 -0.54 0.00 0.00 174.62 176.66 3dni h ALA 204 N 5.69 1.07 -3.16 3.99 0.00 -0.14 -3.44 119.26 123.27 3dni h ALA 204 Ca -0.42 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.17 3dni h ALA 204 Cb 1.17 -0.04 0.05 0.00 0.00 0.00 0.00 17.79 18.98 3dni h ALA 204 CO 0.53 0.29 0.07 0.25 0.00 0.00 0.00 179.25 180.39 3dni n THR 205 N -3.47 0.00 1.06 0.00 -2.24 -1.23 -4.95 114.28 103.45 3dni n THR 205 Ca -0.00 -0.19 0.11 0.00 -2.27 0.00 0.00 64.05 61.70 3dni n THR 205 Cb 0.40 -1.39 0.57 0.00 -2.10 0.00 0.00 70.33 67.81 3dni n THR 205 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3dni n SER 206 N -3.40 0.00 -4.80 3.42 3.41 -1.26 -4.83 113.62 106.16 3dni n SER 206 Ca 0.04 -0.03 -0.31 0.00 -0.26 0.00 0.00 58.87 58.32 3dni n SER 206 Cb 0.16 -0.29 0.07 0.00 -0.26 0.00 0.00 64.21 63.89 3dni n SER 206 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3dni s THR 207 N -2.58 3.62 -0.46 6.66 -4.23 -1.26 -5.02 115.64 112.37 3dni s THR 207 Ca 0.21 0.53 0.03 0.00 -1.18 0.00 0.00 61.69 61.28 3dni s THR 207 Cb 0.15 -3.22 0.13 0.00 1.34 0.00 0.00 72.50 70.90 3dni s THR 207 CO 0.34 -0.69 0.23 0.21 -0.54 0.00 0.00 174.62 174.18 3dni s ASN 208 N -3.75 3.98 -0.01 3.99 3.84 -1.26 -4.78 114.94 116.95 3dni s ASN 208 Ca 0.59 -2.72 0.01 0.00 0.21 0.00 0.00 52.86 50.95 3dni s ASN 208 Cb -0.15 -1.30 0.01 0.00 -0.55 0.00 0.00 41.25 39.26 3dni s ASN 208 CO 0.55 -0.26 -0.02 0.00 -2.79 0.00 0.00 177.10 174.58 3dni n ALA 210 N 3.42 5.22 -0.02 0.00 0.00 -1.11 -1.37 120.51 126.65 3dni n ALA 210 Ca -0.18 -4.53 -0.17 0.00 0.00 0.00 0.00 53.44 48.56 3dni n ALA 210 Cb 0.56 -2.71 -0.08 0.00 0.00 0.00 0.00 19.45 17.22 3dni n ALA 210 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3dni h TYR 211 N 5.68 0.94 -3.39 0.00 0.05 -1.86 -3.35 116.97 115.04 3dni h TYR 211 Ca 0.31 -0.42 -0.55 0.00 0.05 0.00 0.00 58.73 58.11 3dni h TYR 211 Cb 0.64 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.19 3dni h TYR 211 CO 1.14 1.24 0.18 -0.51 -1.05 0.00 0.00 178.16 179.15 3dni s ASP 212 N -6.96 7.13 0.07 3.88 1.01 -1.26 -1.12 116.67 119.42 3dni s ASP 212 Ca -0.11 1.36 0.00 0.00 0.71 0.00 0.00 52.55 54.51 3dni s ASP 212 Cb 0.07 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 3dni s ASP 212 CO 0.88 -0.13 -0.05 -0.13 0.21 0.00 0.00 175.17 175.95 3dni s ARG 213 N 0.72 0.70 -0.13 8.23 1.81 -0.47 -4.93 118.95 124.88 3dni s ARG 213 Ca 0.42 -1.24 -0.01 0.00 -1.72 0.00 0.00 55.73 53.18 3dni s ARG 213 Cb -0.19 0.01 0.03 0.00 -0.45 0.00 0.00 34.95 34.36 3dni s ARG 213 CO 0.22 -0.06 -0.04 0.42 -0.68 0.00 0.00 175.30 175.15 3dni s ILE 214 N -3.65 0.88 -0.02 1.52 1.01 -1.26 -2.25 121.20 117.43 3dni s ILE 214 Ca 0.08 -0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.45 3dni s ILE 214 Cb 0.06 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 3dni s ILE 214 CO -0.07 0.23 -0.18 -0.69 0.00 0.00 0.00 174.94 174.23 3dni s VAL 215 N 1.75 2.78 0.03 2.92 1.01 0.44 -1.14 120.40 128.20 3dni s VAL 215 Ca 0.03 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.10 3dni s VAL 215 Cb -0.14 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 3dni s VAL 215 CO -0.07 0.51 -0.08 0.68 0.00 0.00 0.00 175.10 176.13 3dni s VAL 216 N -0.77 0.62 0.05 2.92 -7.23 -0.37 -0.32 120.40 115.30 3dni s VAL 216 Ca 0.12 -0.90 0.03 0.00 -1.81 0.00 0.00 61.98 59.43 3dni s VAL 216 Cb -0.10 -0.63 -0.02 0.00 0.56 0.00 0.00 36.38 36.18 3dni s VAL 216 CO 0.02 -0.22 -0.10 0.00 -0.31 0.00 0.00 175.10 174.48 3dni s ALA 217 N -1.04 0.84 0.00 1.32 0.00 -0.66 -0.82 121.76 121.40 3dni s ALA 217 Ca -0.05 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.11 3dni s ALA 217 Cb -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3dni s ALA 217 CO 0.01 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.26 3dni n GLY 218 N 1.62 2.51 0.26 0.00 0.00 -1.21 -1.78 105.19 106.59 3dni n GLY 218 Ca -0.21 -1.18 -0.05 0.00 0.00 0.00 0.00 46.02 44.58 3dni n GLY 218 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dni h SER 219 N 0.00 0.65 -0.36 1.61 4.64 -1.95 0.29 113.55 118.43 3dni h SER 219 Ca 0.00 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3dni h SER 219 Cb 0.00 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 3dni h SER 219 CO 0.00 0.84 0.22 0.25 -0.87 0.00 0.00 176.83 177.27 3dni h LEU 220 N 0.58 0.44 -0.03 5.97 6.46 -1.98 0.46 115.31 127.21 3dni h LEU 220 Ca 0.09 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 3dni h LEU 220 Cb 0.65 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.47 3dni h LEU 220 CO 0.05 0.36 -0.01 0.25 -0.62 0.00 0.00 178.44 178.47 3dni h LEU 221 N 0.47 0.06 -1.21 2.25 6.46 -1.80 -2.49 115.31 119.06 3dni h LEU 221 Ca 0.13 -0.39 0.10 0.00 -0.12 0.00 0.00 57.88 57.60 3dni h LEU 221 Cb 0.01 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 39.86 3dni h LEU 221 CO -0.02 0.44 0.57 1.56 -0.62 0.00 0.00 178.44 180.37 3dni h GLN 222 N -0.32 0.84 0.00 1.25 4.20 -0.83 -0.52 115.11 119.74 3dni h GLN 222 Ca 0.01 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 3dni h GLN 222 Cb 0.42 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3dni h GLN 222 CO 0.00 0.55 -0.23 0.66 -0.67 0.00 0.00 178.83 179.15 3dni h SER 223 N 0.86 0.00 1.75 1.46 4.64 -0.72 -3.17 113.55 118.37 3dni h SER 223 Ca 0.41 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.69 3dni h SER 223 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3dni h SER 223 CO -0.18 0.23 -0.22 -1.28 -0.87 0.00 0.00 176.83 174.51 3dni h SER 224 N 0.00 0.00 -3.38 4.97 0.87 -0.64 -3.46 113.55 111.92 3dni h SER 224 Ca -0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 3dni h SER 224 Cb 0.71 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 62.72 3dni h SER 224 CO 0.03 0.22 0.75 -0.69 -0.53 0.00 0.00 176.83 176.61 3dni s VAL 225 N -3.11 2.71 -0.18 2.23 1.01 -1.05 -0.17 120.40 121.83 3dni s VAL 225 Ca 0.06 0.60 -0.27 0.00 0.00 0.00 0.00 61.98 62.36 3dni s VAL 225 Cb 0.06 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 3dni s VAL 225 CO 0.70 0.09 0.92 -0.69 0.00 0.00 0.00 175.10 176.13 3dni s VAL 226 N 0.01 4.80 0.13 2.92 1.01 -0.44 -4.87 120.40 123.97 3dni s VAL 226 Ca 0.59 1.81 -0.31 0.00 0.00 0.00 0.00 61.98 64.07 3dni s VAL 226 Cb -0.41 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 31.65 3dni s VAL 226 CO 0.43 -0.04 1.82 -2.84 0.00 0.00 0.00 175.10 174.47 3dni s PRO 227 N 2.49 4.13 -0.01 2.72 0.02 -1.26 -1.83 135.00 141.26 3dni s PRO 227 Ca 0.41 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.04 3dni s PRO 227 Cb -0.16 -3.53 0.00 0.00 0.02 0.00 0.00 34.50 30.82 3dni s PRO 227 CO 0.11 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 3dni n GLY 228 N 4.21 0.48 0.17 0.52 0.00 -1.26 -4.92 105.19 104.39 3dni n GLY 228 Ca 0.18 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.17 3dni n GLY 228 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dni h SER 229 N 0.00 0.00 -2.89 1.61 4.64 -1.73 -3.45 113.55 111.74 3dni h SER 229 Ca -0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.75 3dni h SER 229 Cb 0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 3dni h SER 229 CO 0.00 0.07 1.01 0.00 -0.87 0.00 0.00 176.83 177.03 3dni s ALA 230 N -3.24 3.48 -0.01 5.18 0.00 -1.26 -4.26 121.76 121.66 3dni s ALA 230 Ca 0.03 0.44 -0.28 0.00 0.00 0.00 0.00 51.96 52.15 3dni s ALA 230 Cb 0.07 -3.74 0.10 0.00 0.00 0.00 0.00 23.12 19.55 3dni s ALA 230 CO 0.73 -1.56 0.84 0.00 0.00 0.00 0.00 175.76 175.77 3dni s ALA 231 N 4.24 -1.80 0.50 0.00 0.00 0.20 -4.84 121.76 120.07 3dni s ALA 231 Ca 0.62 1.05 -0.20 0.00 0.00 0.00 0.00 51.96 53.42 3dni s ALA 231 Cb -0.23 0.28 -0.07 0.00 0.00 0.00 0.00 23.12 23.10 3dni s ALA 231 CO 0.23 -0.62 1.08 -1.25 0.00 0.00 0.00 175.76 175.20 3dni s PRO 232 N -2.75 3.66 -0.52 0.00 0.05 -1.26 -1.10 135.00 133.08 3dni s PRO 232 Ca 0.02 1.49 -0.15 0.00 0.05 0.00 0.00 61.00 62.41 3dni s PRO 232 Cb -0.01 -2.12 0.12 0.00 0.05 0.00 0.00 34.50 32.55 3dni s PRO 232 CO -0.06 -0.57 0.46 0.12 0.05 0.00 0.00 177.00 176.99 3dni s PHE 233 N -1.85 3.28 -0.82 0.56 5.36 0.08 -4.91 117.98 119.68 3dni s PHE 233 Ca 0.68 -1.35 -0.26 0.00 -0.96 0.00 0.00 56.93 55.05 3dni s PHE 233 Cb -0.20 -3.66 0.02 0.00 -0.34 0.00 0.00 43.02 38.84 3dni s PHE 233 CO 0.24 -0.99 1.49 0.34 -1.46 0.00 0.00 175.22 174.85 3dni s ASP 234 N 3.30 6.00 0.39 6.13 -1.08 -1.26 -4.08 116.67 126.08 3dni s ASP 234 Ca 0.04 -0.63 0.20 0.00 -0.52 0.00 0.00 52.55 51.63 3dni s ASP 234 Cb -0.29 -2.56 0.71 0.00 -1.46 0.00 0.00 42.92 39.32 3dni s ASP 234 CO 0.03 -1.93 1.74 2.19 0.52 0.00 0.00 175.17 177.72 3dni h PHE 235 N 10.90 0.00 0.15 -5.34 -0.00 -1.97 -2.27 116.94 118.41 3dni h PHE 235 Ca -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.86 3dni h PHE 235 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.00 3dni h PHE 235 CO 1.17 0.34 -0.07 0.37 -0.00 0.00 0.00 178.31 180.12 3dni h GLN 236 N 0.00 -0.20 -0.25 6.09 4.15 -1.92 -1.95 115.11 121.03 3dni h GLN 236 Ca -0.00 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 3dni h GLN 236 Cb 0.89 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 3dni h GLN 236 CO 0.04 0.01 0.10 0.00 -1.93 0.00 0.00 178.83 177.05 3dni h ALA 237 N 0.45 0.33 -0.78 3.38 0.00 -1.88 0.14 119.26 120.89 3dni h ALA 237 Ca -0.02 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.86 3dni h ALA 237 Cb 0.30 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 3dni h ALA 237 CO 0.03 -0.08 0.43 0.00 0.00 0.00 0.00 179.25 179.64 3dni h ALA 238 N 0.94 1.10 -0.01 0.00 0.00 -1.34 -3.01 119.26 116.94 3dni h ALA 238 Ca 0.08 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3dni h ALA 238 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3dni h ALA 238 CO -0.01 0.05 -0.47 0.66 0.00 0.00 0.00 179.25 179.48 3dni n TYR 239 N -4.78 0.00 -3.00 0.00 4.01 -0.74 -4.99 117.16 107.66 3dni n TYR 239 Ca 0.13 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.74 3dni n TYR 239 Cb 0.27 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.36 3dni n TYR 239 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dni n GLY 240 N 1.27 -0.08 3.89 2.72 0.00 0.27 -5.00 105.19 108.26 3dni n GLY 240 Ca 0.06 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3dni n GLY 240 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dni s LEU 241 N -4.95 3.70 0.67 0.99 1.43 0.01 -5.04 118.68 115.49 3dni s LEU 241 Ca 0.07 1.01 -0.11 0.00 -1.03 0.00 0.00 54.13 54.07 3dni s LEU 241 Cb -0.03 -3.94 -0.01 0.00 0.03 0.00 0.00 46.19 42.24 3dni s LEU 241 CO 0.49 -0.51 1.05 -0.55 0.23 0.00 0.00 176.35 177.05 3dni s SER 242 N -3.73 5.63 0.16 2.29 0.15 -1.26 -4.83 113.70 112.10 3dni s SER 242 Ca 0.49 1.58 -0.12 0.00 0.70 0.00 0.00 55.95 58.60 3dni s SER 242 Cb -0.10 -2.49 0.04 0.00 -1.71 0.00 0.00 66.02 61.75 3dni s SER 242 CO 0.40 -1.28 1.63 -1.13 1.20 0.00 0.00 173.24 174.06 3dni h ASN 243 N -0.53 0.89 0.31 5.45 -1.24 -1.99 0.20 115.58 118.67 3dni h ASN 243 Ca -0.44 -0.29 -0.06 0.00 0.71 0.00 0.00 56.30 56.22 3dni h ASN 243 Cb 1.21 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 40.01 3dni h ASN 243 CO 0.58 0.95 -0.29 1.05 -1.29 0.00 0.00 177.43 178.44 3dni h GLU 244 N 0.79 0.00 0.19 6.67 4.11 -1.98 -0.32 114.58 124.04 3dni h GLU 244 Ca 0.16 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.33 3dni h GLU 244 Cb 0.47 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.75 3dni h GLU 244 CO 0.02 0.29 -1.13 1.98 0.07 0.00 0.00 179.01 180.23 3dni h MET 245 N 0.00 0.39 -0.85 1.06 4.05 -1.84 -2.48 114.93 115.27 3dni h MET 245 Ca -0.00 -0.67 0.01 0.00 -0.28 0.00 0.00 59.70 58.76 3dni h MET 245 Cb 0.52 0.25 -0.04 0.00 -0.80 0.00 0.00 31.60 31.52 3dni h MET 245 CO 0.04 1.32 0.56 0.00 0.23 0.00 0.00 176.91 179.06 3dni h ALA 246 N 0.10 1.40 -0.11 0.39 0.00 -0.30 -2.64 119.26 118.10 3dni h ALA 246 Ca -0.20 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 3dni h ALA 246 Cb 1.86 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 3dni h ALA 246 CO 0.19 0.56 -0.47 1.25 0.00 0.00 0.00 179.25 180.79 3dni h LEU 247 N 1.15 0.30 -1.28 0.00 5.85 -1.13 -1.76 115.31 118.43 3dni h LEU 247 Ca 0.31 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3dni h LEU 247 Cb -0.13 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.82 3dni h LEU 247 CO -0.07 0.72 0.00 0.00 -0.34 0.00 0.00 178.44 178.75 3dni h ALA 248 N 1.29 1.00 0.00 1.25 0.00 -1.06 -3.00 119.26 118.74 3dni h ALA 248 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3dni h ALA 248 Cb 0.91 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3dni h ALA 248 CO 0.07 0.00 -0.24 0.82 0.00 0.00 0.00 179.25 179.91 3dni h ILE 249 N 0.00 0.57 -1.57 0.00 2.04 -1.28 -3.50 117.51 113.77 3dni h ILE 249 Ca 0.00 -1.48 0.23 0.00 1.00 0.00 0.00 64.86 64.61 3dni h ILE 249 Cb 0.40 1.13 -0.19 0.00 -0.74 0.00 0.00 36.82 37.43 3dni h ILE 249 CO 0.00 0.19 0.77 -0.55 0.00 0.00 0.00 178.15 178.57 3dni s SER 250 N -5.90 -0.16 0.00 1.72 0.15 -0.91 -4.17 113.70 104.41 3dni s SER 250 Ca -0.11 0.01 0.25 0.00 0.70 0.00 0.00 55.95 56.79 3dni s SER 250 Cb 0.00 0.17 0.48 0.00 -1.71 0.00 0.00 66.02 64.97 3dni s SER 250 CO 0.29 -0.28 1.42 -0.90 1.20 0.00 0.00 173.24 174.97 3dni n ASP 251 N -0.09 2.61 -4.38 5.45 5.75 -1.26 -4.19 116.55 120.43 3dni n ASP 251 Ca -0.01 -1.86 -0.30 0.00 -0.01 0.00 0.00 54.79 52.62 3dni n ASP 251 Cb 0.59 -0.05 -0.14 0.00 -1.03 0.00 0.00 41.12 40.49 3dni n ASP 251 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3dni s HIS 252 N -1.90 2.37 0.21 2.11 3.76 -1.26 0.55 115.29 121.13 3dni s HIS 252 Ca 0.33 -0.37 -0.11 0.00 -0.15 0.00 0.00 55.06 54.76 3dni s HIS 252 Cb 0.20 -1.36 -0.07 0.00 1.11 0.00 0.00 32.58 32.46 3dni s HIS 252 CO 0.31 0.22 0.55 0.71 -0.85 0.00 0.00 174.74 175.68 3dni s TYR 253 N -0.92 3.47 0.62 1.40 2.02 -0.17 -4.57 117.35 119.20 3dni s TYR 253 Ca 0.13 0.92 -0.18 0.00 -0.37 0.00 0.00 57.07 57.57 3dni s TYR 253 Cb -0.10 -2.29 -0.02 0.00 -0.40 0.00 0.00 41.96 39.15 3dni s TYR 253 CO 0.04 0.31 1.19 -2.14 -1.57 0.00 0.00 175.55 173.38 3dni s PRO 254 N -2.60 2.86 -0.08 -1.71 0.02 -1.26 -4.73 135.00 127.51 3dni s PRO 254 Ca 0.45 1.76 0.02 0.00 0.02 0.00 0.00 61.00 63.25 3dni s PRO 254 Cb -0.12 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.45 3dni s PRO 254 CO 0.21 -1.27 -0.14 0.14 -0.33 0.00 0.00 177.00 175.60 3dni s VAL 255 N -1.74 3.03 0.18 3.83 -7.23 -0.30 -0.74 120.40 117.42 3dni s VAL 255 Ca 0.76 -0.71 0.04 0.00 -1.81 0.00 0.00 61.98 60.25 3dni s VAL 255 Cb -0.29 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 3dni s VAL 255 CO 0.35 0.57 -0.05 -1.83 -0.31 0.00 0.00 175.10 173.83 3dni s GLU 256 N -0.36 1.16 0.04 4.82 -1.05 -0.26 -0.78 118.70 122.27 3dni s GLU 256 Ca 0.04 -1.54 -0.13 0.00 -0.15 0.00 0.00 54.97 53.18 3dni s GLU 256 Cb -0.12 -0.55 0.02 0.00 -0.44 0.00 0.00 34.13 33.03 3dni s GLU 256 CO 0.02 -0.02 0.29 0.54 0.95 0.00 0.00 175.26 177.04 3dni s VAL 257 N -3.42 0.08 -0.09 1.83 0.11 -0.09 -0.62 120.40 118.20 3dni s VAL 257 Ca 0.22 -0.69 0.02 0.00 -2.93 0.00 0.00 61.98 58.60 3dni s VAL 257 Cb 0.04 -0.92 -0.02 0.00 -1.53 0.00 0.00 36.38 33.95 3dni s VAL 257 CO 0.04 -0.38 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.39 3dni s THR 258 N -2.51 2.97 0.03 5.04 2.01 -1.26 -1.96 115.64 119.96 3dni s THR 258 Ca -0.05 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.24 3dni s THR 258 Cb -0.01 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 3dni s THR 258 CO -0.03 0.56 0.05 -0.76 -0.69 0.00 0.00 174.62 173.74 3dni s LEU 259 N -0.17 3.70 0.00 4.42 1.43 0.17 -1.33 118.68 126.90 3dni s LEU 259 Ca -0.01 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 3dni s LEU 259 Cb -0.13 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.83 3dni s LEU 259 CO 0.03 0.23 0.32 1.07 0.23 0.00 0.00 176.35 178.23