#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1prt s ILE 5 N 0.00 1.95 -0.19 -0.61 -4.36 -1.26 -4.55 121.20 112.17 1prt s ILE 5 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 60.65 60.30 1prt s ILE 5 Cb 0.00 -2.74 -0.05 0.00 1.25 0.00 0.00 42.46 40.92 1prt s ILE 5 CO 0.00 0.00 0.11 -0.69 0.24 0.00 0.00 174.94 174.60 1prt s VAL 6 N -3.31 5.23 -0.35 8.37 1.01 0.04 -4.94 120.40 126.45 1prt s VAL 6 Ca 0.66 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.67 1prt s VAL 6 Cb -0.13 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.90 1prt s VAL 6 CO 0.54 0.45 0.17 -0.63 0.00 0.00 0.00 175.10 175.62 1prt s ILE 7 N 0.33 4.38 -0.01 2.22 -1.09 -1.26 -4.66 121.20 121.11 1prt s ILE 7 Ca 0.07 -0.83 -0.37 0.00 -2.23 0.00 0.00 60.65 57.29 1prt s ILE 7 Cb -0.11 -3.40 -0.16 0.00 -1.58 0.00 0.00 42.46 37.21 1prt s ILE 7 CO -0.01 -0.15 1.52 -2.65 -1.23 0.00 0.00 174.94 172.41 1prt n PRO 8 N 4.95 1.35 -2.11 2.79 -0.02 -1.26 -4.87 135.00 135.83 1prt n PRO 8 Ca -0.12 0.49 -0.40 0.00 -2.02 0.00 0.00 63.50 61.45 1prt n PRO 8 Cb 0.46 -2.17 -0.01 0.00 -0.02 0.00 0.00 33.50 31.76 1prt n PRO 8 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1prt s PRO 9 N 1.60 4.14 0.37 0.52 0.02 -1.26 -4.88 135.00 135.50 1prt s PRO 9 Ca 0.88 2.14 0.21 0.00 0.02 0.00 0.00 61.00 64.25 1prt s PRO 9 Cb -0.93 -2.88 1.32 0.00 0.02 0.00 0.00 34.50 32.03 1prt s PRO 9 CO 0.51 -0.34 1.59 -0.22 -0.33 0.00 0.00 177.00 178.21 1prt h LYS 10 N 2.97 0.05 0.00 5.54 3.64 -1.98 0.68 116.57 127.47 1prt h LYS 10 Ca -0.49 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1prt h LYS 10 Cb 1.24 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1prt h LYS 10 CO 0.64 0.03 0.00 0.00 -2.27 0.00 0.00 179.45 177.85 1prt n ALA 11 N -2.28 1.16 1.62 5.00 0.00 -1.26 -1.33 120.51 123.42 1prt n ALA 11 Ca 0.37 0.11 0.15 0.00 0.00 0.00 0.00 53.44 54.06 1prt n ALA 11 Cb 1.26 -1.22 0.68 0.00 0.00 0.00 0.00 19.45 20.17 1prt n ALA 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1prt n LEU 12 N -1.96 0.67 -4.56 0.00 4.77 0.23 -4.82 117.00 111.33 1prt n LEU 12 Ca -0.00 -0.17 -0.39 0.00 -0.03 0.00 0.00 56.01 55.42 1prt n LEU 12 Cb 0.06 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1prt n LEU 12 CO 0.08 0.12 1.62 0.12 -1.33 0.00 0.00 177.39 178.00 1prt s PHE 13 N -2.17 1.66 -0.24 -1.77 2.19 -0.44 -1.18 117.98 116.03 1prt s PHE 13 Ca 0.38 0.82 -0.32 0.00 0.33 0.00 0.00 56.93 58.13 1prt s PHE 13 Cb 0.21 -4.06 -0.09 0.00 -1.31 0.00 0.00 43.02 37.77 1prt s PHE 13 CO 0.40 -2.42 2.14 2.41 1.83 0.00 0.00 175.22 179.58 1prt n THR 14 N 7.30 0.34 0.00 0.12 -1.04 0.10 -4.86 114.28 116.24 1prt n THR 14 Ca 0.22 -0.30 -0.05 0.00 -2.04 0.00 0.00 64.05 61.87 1prt n THR 14 Cb 0.51 -2.05 -0.03 0.00 -1.82 0.00 0.00 70.33 66.94 1prt n THR 14 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1prt h GLN 15 N 12.73 -0.20 -4.60 -2.82 -0.00 -1.90 -2.85 115.11 115.47 1prt h GLN 15 Ca -0.37 0.01 -0.73 0.00 -0.00 0.00 0.00 58.65 57.56 1prt h GLN 15 Cb 1.28 0.05 -0.20 0.00 0.00 0.00 0.00 27.48 28.60 1prt h GLN 15 CO 0.98 -0.13 0.87 -0.65 0.00 0.00 0.00 178.83 179.90 1prt s GLN 16 N -3.91 3.85 1.27 1.69 -1.52 -1.26 -5.01 119.66 114.77 1prt s GLN 16 Ca -0.05 -2.32 -0.19 0.00 -1.95 0.00 0.00 55.36 50.85 1prt s GLN 16 Cb 0.02 -4.86 0.28 0.00 -0.22 0.00 0.00 33.01 28.24 1prt s GLN 16 CO 0.20 -1.64 0.66 0.41 -0.25 0.00 0.00 175.29 174.67 1prt n GLY 17 N 4.47 -3.04 1.97 3.09 0.00 -1.08 -5.01 105.19 105.60 1prt n GLY 17 Ca 0.27 -1.28 -0.19 0.00 0.00 0.00 0.00 46.02 44.83 1prt n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1prt n GLY 18 N 1.88 -3.81 2.70 -0.02 0.00 -0.91 -4.74 105.19 100.30 1prt n GLY 18 Ca 0.08 -1.28 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 1prt n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1prt s ALA 19 N -2.13 0.72 -0.97 4.61 0.00 -1.20 -2.75 121.76 120.05 1prt s ALA 19 Ca 0.41 -0.40 -0.03 0.00 0.00 0.00 0.00 51.96 51.94 1prt s ALA 19 Cb -0.07 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1prt s ALA 19 CO 0.35 -0.97 0.83 0.66 0.00 0.00 0.00 175.76 176.62 1prt n TYR 20 N 5.15 -1.91 -0.76 0.00 4.01 -0.11 -2.79 117.16 120.75 1prt n TYR 20 Ca -0.08 0.74 0.00 0.00 -0.16 0.00 0.00 57.90 58.41 1prt n TYR 20 Cb 0.48 -4.21 0.00 0.00 -0.31 0.00 0.00 39.34 35.30 1prt n TYR 20 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1prt n GLY 21 N -1.36 1.28 3.22 2.72 0.00 -1.25 -4.85 105.19 104.94 1prt n GLY 21 Ca -0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 1prt n GLY 21 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1prt n ARG 22 N -2.00 3.84 -1.74 1.61 0.00 -1.12 -4.99 116.66 112.26 1prt n ARG 22 Ca 0.00 -4.38 -0.42 0.00 -0.00 0.00 0.00 57.85 53.05 1prt n ARG 22 Cb 0.00 -2.61 -0.02 0.00 0.00 0.00 0.00 32.46 29.84 1prt n ARG 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1prt n PRO 24 N 2.16 -0.43 -1.61 0.00 -0.04 -1.26 -4.77 135.00 129.05 1prt n PRO 24 Ca 0.09 -0.07 -0.43 0.00 -0.04 0.00 0.00 63.50 63.05 1prt n PRO 24 Cb 0.36 -2.21 -0.00 0.00 -0.04 0.00 0.00 33.50 31.61 1prt n PRO 24 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1prt n ASN 25 N -3.34 1.42 0.00 3.54 4.13 -1.26 -1.62 115.26 118.14 1prt n ASN 25 Ca 0.10 1.12 0.00 0.00 1.68 0.00 0.00 54.58 57.48 1prt n ASN 25 Cb 0.53 -1.33 0.00 0.00 -1.54 0.00 0.00 39.78 37.43 1prt n ASN 25 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1prt n GLY 26 N 1.16 2.41 3.66 7.41 0.00 -1.26 -5.00 105.19 113.57 1prt n GLY 26 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1prt n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1prt s THR 27 N -2.26 3.57 -0.09 2.61 -4.23 -0.64 -1.87 115.64 112.73 1prt s THR 27 Ca 0.00 -1.80 -0.06 0.00 -1.18 0.00 0.00 61.69 58.65 1prt s THR 27 Cb 0.00 -2.89 0.04 0.00 1.34 0.00 0.00 72.50 70.98 1prt s THR 27 CO 0.00 -0.33 0.22 -0.60 -0.54 0.00 0.00 174.62 173.37 1prt s ARG 28 N -3.58 0.21 -0.42 3.99 3.52 0.89 -4.68 118.95 118.89 1prt s ARG 28 Ca 0.31 0.42 -0.44 0.00 -0.13 0.00 0.00 55.73 55.89 1prt s ARG 28 Cb -0.07 -0.03 -0.18 0.00 -1.56 0.00 0.00 34.95 33.11 1prt s ARG 28 CO 0.20 -0.11 1.70 0.00 -0.81 0.00 0.00 175.30 176.28 1prt n ALA 29 N 3.72 -0.79 -1.76 6.12 0.00 -1.26 -1.27 120.51 125.27 1prt n ALA 29 Ca -0.20 0.43 -0.37 0.00 0.00 0.00 0.00 53.44 53.29 1prt n ALA 29 Cb 0.55 -2.05 0.01 0.00 0.00 0.00 0.00 19.45 17.96 1prt n ALA 29 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1prt s LEU 30 N 3.49 3.92 0.28 0.00 2.96 -0.45 -4.61 118.68 124.26 1prt s LEU 30 Ca 1.04 2.49 0.07 0.00 -0.22 0.00 0.00 54.13 57.51 1prt s LEU 30 Cb -1.33 -4.29 -0.03 0.00 0.50 0.00 0.00 46.19 41.04 1prt s LEU 30 CO 0.75 -1.23 0.25 0.42 -1.32 0.00 0.00 176.35 175.22 1prt s THR 31 N -1.46 4.16 0.21 3.68 -4.23 -1.26 -2.04 115.64 114.70 1prt s THR 31 Ca 0.68 -1.35 0.01 0.00 -1.18 0.00 0.00 61.69 59.85 1prt s THR 31 Cb -0.33 -3.35 -0.06 0.00 1.34 0.00 0.00 72.50 70.09 1prt s THR 31 CO 0.39 -0.28 1.51 -0.37 -0.54 0.00 0.00 174.62 175.34 1prt h VAL 32 N 1.36 1.37 -0.81 2.29 -1.51 -1.95 0.69 116.25 117.68 1prt h VAL 32 Ca -0.47 -1.99 0.08 0.00 -1.23 0.00 0.00 66.70 63.09 1prt h VAL 32 Cb 1.24 1.99 -0.05 0.00 -2.13 0.00 0.00 31.29 32.34 1prt h VAL 32 CO 0.59 0.60 0.53 0.00 -1.23 0.00 0.00 177.57 178.06 1prt h ALA 33 N 1.07 1.66 0.25 5.19 0.00 -1.98 0.80 119.26 126.25 1prt h ALA 33 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1prt h ALA 33 Cb 1.16 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1prt h ALA 33 CO 0.10 0.19 -0.12 0.93 0.00 0.00 0.00 179.25 180.36 1prt h GLU 34 N 0.83 -0.32 -0.66 0.00 5.08 -1.86 -2.83 114.58 114.82 1prt h GLU 34 Ca 0.36 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.89 1prt h GLU 34 Cb 0.32 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1prt h GLU 34 CO -0.14 -0.06 0.45 1.25 -1.00 0.00 0.00 179.01 179.52 1prt h LEU 35 N -1.02 0.24 0.95 1.33 5.85 -0.29 -1.36 115.31 121.01 1prt h LEU 35 Ca -0.03 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1prt h LEU 35 Cb 0.41 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.42 1prt h LEU 35 CO 0.06 0.13 -0.46 -0.09 -0.34 0.00 0.00 178.44 177.73 1prt h ARG 36 N 0.25 -1.23 0.00 1.25 9.65 0.59 -2.96 114.38 121.93 1prt h ARG 36 Ca 0.32 0.08 0.00 0.00 -1.10 0.00 0.00 59.98 59.28 1prt h ARG 36 Cb 0.90 0.28 0.00 0.00 -1.39 0.00 0.00 29.97 29.76 1prt h ARG 36 CO -0.07 -0.82 0.00 0.41 2.80 0.00 0.00 179.97 182.29 1prt n GLY 37 N -1.64 -1.07 3.38 2.80 0.00 -0.56 -4.41 105.19 103.68 1prt n GLY 37 Ca -0.16 0.12 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 1prt n GLY 37 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1prt s ASN 38 N -4.04 6.58 0.12 1.61 3.84 -0.92 -4.93 114.94 117.21 1prt s ASN 38 Ca 0.02 -2.20 -0.23 0.00 0.21 0.00 0.00 52.86 50.66 1prt s ASN 38 Cb 0.08 -2.29 -0.05 0.00 -0.55 0.00 0.00 41.25 38.44 1prt s ASN 38 CO 0.29 -0.85 1.67 0.00 -2.79 0.00 0.00 177.10 175.42 1prt h ALA 39 N 8.44 -0.13 -0.85 1.71 0.00 -1.82 -1.52 119.26 125.09 1prt h ALA 39 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1prt h ALA 39 Cb 1.05 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 1prt h ALA 39 CO 0.95 -0.62 0.48 0.93 0.00 0.00 0.00 179.25 180.98 1prt h GLU 40 N -0.22 1.18 -0.45 0.00 5.08 -1.96 0.11 114.58 118.31 1prt h GLU 40 Ca 0.07 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1prt h GLU 40 Cb 0.32 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1prt h GLU 40 CO -0.19 0.85 -0.01 1.25 -1.00 0.00 0.00 179.01 179.90 1prt h LEU 41 N 1.19 0.80 0.27 1.33 6.46 -1.87 0.80 115.31 124.28 1prt h LEU 41 Ca 0.30 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1prt h LEU 41 Cb 0.00 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.70 1prt h LEU 41 CO -0.05 0.92 -0.25 1.56 -0.62 0.00 0.00 178.44 179.99 1prt h GLN 42 N 0.66 -0.53 -0.83 1.25 4.20 -0.61 0.39 115.11 119.63 1prt h GLN 42 Ca 0.13 0.04 0.17 0.00 0.06 0.00 0.00 58.65 59.04 1prt h GLN 42 Cb 0.51 0.12 -0.10 0.00 0.30 0.00 0.00 27.48 28.31 1prt h GLN 42 CO 0.03 -0.35 0.37 1.15 -0.67 0.00 0.00 178.83 179.36 1prt h THR 43 N -0.55 0.63 -0.39 -0.54 2.02 -0.45 0.36 112.91 113.99 1prt h THR 43 Ca -0.01 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 1prt h THR 43 Cb 0.50 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1prt h THR 43 CO -0.05 0.09 0.07 0.22 0.37 0.00 0.00 175.52 176.22 1prt h TYR 44 N 0.49 0.69 -0.70 3.16 3.20 0.13 -3.06 116.97 120.89 1prt h TYR 44 Ca 0.47 -0.10 0.07 0.00 3.14 0.00 0.00 58.73 62.32 1prt h TYR 44 Cb 0.76 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.78 1prt h TYR 44 CO -0.13 0.68 0.38 -0.07 -1.64 0.00 0.00 178.16 177.38 1prt h LEU 45 N 0.50 0.55 -2.56 2.82 4.07 0.38 -1.46 115.31 119.60 1prt h LEU 45 Ca 0.12 0.04 0.01 0.00 0.08 0.00 0.00 57.88 58.13 1prt h LEU 45 Cb 0.36 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.04 1prt h LEU 45 CO 0.01 0.34 0.07 0.03 -1.08 0.00 0.00 178.44 177.81 1prt h ARG 46 N 0.68 0.00 0.04 1.13 3.08 -1.08 0.27 114.38 118.50 1prt h ARG 46 Ca 0.32 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 60.03 1prt h ARG 46 Cb 0.24 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 1prt h ARG 46 CO -0.21 0.00 -2.03 1.04 -1.07 0.00 0.00 179.97 177.70 1prt n GLN 47 N -3.51 0.68 0.12 0.04 1.13 -0.60 -4.38 117.38 110.86 1prt n GLN 47 Ca -0.02 0.21 0.12 0.00 -1.94 0.00 0.00 57.00 55.37 1prt n GLN 47 Cb 0.15 -1.68 0.06 0.00 0.11 0.00 0.00 30.24 28.88 1prt n GLN 47 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 1prt h ILE 48 N 0.02 0.00 -3.12 5.09 6.09 -0.92 -3.46 117.51 121.21 1prt h ILE 48 Ca -0.42 -0.93 -0.58 0.00 -1.37 0.00 0.00 64.86 61.57 1prt h ILE 48 Cb 2.05 1.53 -0.06 0.00 0.47 0.00 0.00 36.82 40.81 1prt h ILE 48 CO 0.05 0.00 0.84 -0.89 -3.07 0.00 0.00 178.15 175.08 1prt s THR 49 N -3.31 4.53 0.57 2.19 2.01 0.04 -5.03 115.64 116.64 1prt s THR 49 Ca 0.02 1.82 -0.15 0.00 0.31 0.00 0.00 61.69 63.68 1prt s THR 49 Cb 0.09 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 1prt s THR 49 CO 0.76 -0.28 1.03 -2.16 -0.69 0.00 0.00 174.62 173.28 1prt s PRO 50 N 3.44 3.53 0.29 4.92 0.04 -1.26 -4.53 135.00 141.43 1prt s PRO 50 Ca 0.47 1.08 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 1prt s PRO 50 Cb -0.15 -2.07 -0.12 0.00 0.04 0.00 0.00 34.50 32.20 1prt s PRO 50 CO 0.11 -0.63 1.57 0.41 0.04 0.00 0.00 177.00 178.50 1prt n GLY 51 N -1.34 1.26 3.22 0.56 0.00 -1.26 -3.49 105.19 104.14 1prt n GLY 51 Ca 0.08 0.46 -0.21 0.00 0.00 0.00 0.00 46.02 46.34 1prt n GLY 51 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1prt n TRP 52 N 2.03 -2.32 -4.60 1.61 7.02 -1.26 -4.93 117.44 114.99 1prt n TRP 52 Ca 0.09 0.76 -0.31 0.00 -1.02 0.00 0.00 57.50 57.01 1prt n TRP 52 Cb 0.36 -4.51 -0.12 0.00 -2.42 0.00 0.00 31.31 24.62 1prt n TRP 52 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1prt s SER 53 N -3.08 4.11 -0.05 -0.99 0.01 -1.23 -4.91 113.70 107.56 1prt s SER 53 Ca 0.44 -0.31 0.03 0.00 1.31 0.00 0.00 55.95 57.41 1prt s SER 53 Cb -0.19 -0.79 -0.03 0.00 0.21 0.00 0.00 66.02 65.22 1prt s SER 53 CO 0.54 0.27 -0.11 -0.51 0.41 0.00 0.00 173.24 173.84 1prt s ILE 54 N -0.94 3.31 -0.06 1.44 2.07 -1.26 0.74 121.20 126.49 1prt s ILE 54 Ca 0.15 -0.66 0.04 0.00 -1.41 0.00 0.00 60.65 58.78 1prt s ILE 54 Cb -0.11 -2.33 -0.00 0.00 0.13 0.00 0.00 42.46 40.16 1prt s ILE 54 CO 0.06 0.58 -0.19 -0.31 -1.91 0.00 0.00 174.94 173.16 1prt s TYR 55 N -0.78 2.00 0.47 3.50 2.02 0.71 -4.63 117.35 120.64 1prt s TYR 55 Ca 0.12 -0.68 -0.20 0.00 -0.37 0.00 0.00 57.07 55.94 1prt s TYR 55 Cb -0.11 -1.36 -0.09 0.00 -0.40 0.00 0.00 41.96 40.00 1prt s TYR 55 CO 0.01 -0.26 1.00 0.20 -1.57 0.00 0.00 175.55 174.93 1prt s GLY 56 N 0.21 2.43 0.23 0.71 0.00 0.63 -0.98 107.32 110.56 1prt s GLY 56 Ca -0.10 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.12 1prt s GLY 56 CO 0.05 0.80 0.12 1.08 0.00 0.00 0.00 173.10 175.15 1prt s LEU 57 N -3.42 1.36 0.06 0.66 1.02 -1.12 -1.41 118.68 115.83 1prt s LEU 57 Ca 0.65 -1.40 -0.23 0.00 0.02 0.00 0.00 54.13 53.16 1prt s LEU 57 Cb -0.13 0.25 -0.16 0.00 0.02 0.00 0.00 46.19 46.17 1prt s LEU 57 CO 0.18 -0.81 1.61 0.22 0.02 0.00 0.00 176.35 177.57 1prt h TYR 58 N 2.51 0.04 0.00 0.29 3.20 -1.67 -3.39 116.97 117.95 1prt h TYR 58 Ca -0.36 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.50 1prt h TYR 58 Cb 1.25 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.51 1prt h TYR 58 CO 0.45 0.17 0.00 -0.25 -1.64 0.00 0.00 178.16 176.89 1prt n ASP 59 N -5.00 0.00 0.00 -2.11 8.00 -1.26 -0.38 116.55 115.80 1prt n ASP 59 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1prt n ASP 59 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1prt n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1prt n GLY 60 N 5.00 -2.10 3.26 0.44 0.00 -1.21 -4.23 105.19 106.34 1prt n GLY 60 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 1prt n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1prt s THR 61 N 0.00 0.09 -0.08 2.61 -4.23 0.17 -2.78 115.64 111.43 1prt s THR 61 Ca 0.00 -1.52 0.03 0.00 -1.18 0.00 0.00 61.69 59.02 1prt s THR 61 Cb 0.00 -1.81 0.01 0.00 1.34 0.00 0.00 72.50 72.04 1prt s THR 61 CO 0.00 -0.43 -0.15 -0.47 -0.54 0.00 0.00 174.62 173.03 1prt s TYR 62 N -3.97 1.79 -0.22 3.99 5.04 -0.15 -1.52 117.35 122.31 1prt s TYR 62 Ca 0.17 -0.71 -0.07 0.00 -2.44 0.00 0.00 57.07 54.01 1prt s TYR 62 Cb 0.05 -1.27 -0.03 0.00 0.35 0.00 0.00 41.96 41.05 1prt s TYR 62 CO -0.02 -0.34 0.06 -0.51 -1.34 0.00 0.00 175.55 173.40 1prt s LEU 63 N 0.63 3.53 0.63 6.97 1.43 0.53 -0.21 118.68 132.20 1prt s LEU 63 Ca -0.15 -0.12 -0.17 0.00 -1.03 0.00 0.00 54.13 52.66 1prt s LEU 63 Cb -0.16 -1.92 -0.10 0.00 0.03 0.00 0.00 46.19 44.03 1prt s LEU 63 CO 0.04 0.04 0.18 0.61 0.23 0.00 0.00 176.35 177.46 1prt n GLY 64 N 4.40 -2.39 0.22 -3.19 0.00 0.23 -2.02 105.19 102.44 1prt n GLY 64 Ca -0.16 -0.29 0.02 0.00 0.00 0.00 0.00 46.02 45.58 1prt n GLY 64 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1prt h GLN 65 N -0.13 0.00 -0.28 1.61 -0.00 -1.79 0.77 115.11 115.29 1prt h GLN 65 Ca -0.44 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.08 1prt h GLN 65 Cb 1.39 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.87 1prt h GLN 65 CO 0.42 0.00 -0.34 0.00 -0.00 0.00 0.00 178.83 178.91 1prt h ALA 66 N 0.23 0.41 0.00 0.06 0.00 -1.86 -2.03 119.26 116.07 1prt h ALA 66 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1prt h ALA 66 Cb 1.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1prt h ALA 66 CO 0.00 0.47 0.00 0.66 0.00 0.00 0.00 179.25 180.38 1prt n TYR 67 N -4.22 0.00 0.00 0.00 4.01 0.27 -4.87 117.16 112.34 1prt n TYR 67 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1prt n TYR 67 Cb 0.50 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 1prt n TYR 67 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1prt n GLY 68 N 0.93 1.12 2.40 2.72 0.00 -0.76 -4.64 105.19 106.96 1prt n GLY 68 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 1prt n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1prt n GLY 69 N -1.54 -0.65 3.61 -0.02 0.00 -1.02 -4.87 105.19 100.70 1prt n GLY 69 Ca 0.00 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1prt n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1prt s ILE 70 N -3.07 4.43 -0.54 -0.61 -1.09 -0.86 -4.88 121.20 114.59 1prt s ILE 70 Ca 0.08 -0.17 -0.09 0.00 -2.23 0.00 0.00 60.65 58.24 1prt s ILE 70 Cb -0.01 -2.95 0.14 0.00 -1.58 0.00 0.00 42.46 38.06 1prt s ILE 70 CO 0.42 0.51 0.41 -0.63 -1.23 0.00 0.00 174.94 174.42 1prt s ILE 71 N 0.06 4.28 -0.14 2.92 1.01 -1.26 -0.35 121.20 127.72 1prt s ILE 71 Ca 0.03 -2.08 -0.05 0.00 0.00 0.00 0.00 60.65 58.55 1prt s ILE 71 Cb -0.13 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1prt s ILE 71 CO 0.02 -0.82 0.04 -0.75 0.00 0.00 0.00 174.94 173.42 1prt s LYS 72 N 0.96 3.54 1.17 2.79 2.20 -0.57 -4.95 119.74 124.88 1prt s LYS 72 Ca 0.09 -0.36 -0.20 0.00 -0.36 0.00 0.00 55.97 55.15 1prt s LYS 72 Cb -0.23 -3.03 0.30 0.00 -1.51 0.00 0.00 37.83 33.36 1prt s LYS 72 CO -0.02 0.48 0.79 -0.25 -0.36 0.00 0.00 175.35 175.99 1prt n ASP 73 N 2.86 -3.22 0.00 1.43 9.92 -1.26 0.42 116.55 126.69 1prt n ASP 73 Ca -0.18 -0.84 0.00 0.00 -0.53 0.00 0.00 54.79 53.24 1prt n ASP 73 Cb 0.53 -0.84 0.00 0.00 -0.64 0.00 0.00 41.12 40.17 1prt n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1prt n ALA 74 N -5.13 0.00 -1.29 2.24 0.00 -1.26 -4.28 120.51 110.79 1prt n ALA 74 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.94 1prt n ALA 74 Cb 0.50 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.04 1prt n ALA 74 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1prt s PRO 75 N -2.00 2.15 -0.07 0.00 0.02 -1.26 -3.36 135.00 130.48 1prt s PRO 75 Ca 0.00 1.58 -0.33 0.00 0.02 0.00 0.00 61.00 62.27 1prt s PRO 75 Cb 0.00 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.56 1prt s PRO 75 CO 0.00 -1.79 1.92 -0.35 -0.33 0.00 0.00 177.00 176.45 1prt n PRO 76 N -2.95 2.31 -0.59 5.54 -0.04 -1.25 -0.96 135.00 137.05 1prt n PRO 76 Ca 0.12 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 1prt n PRO 76 Cb 0.51 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 1prt n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1prt n GLY 77 N 4.52 0.76 0.14 0.55 0.00 0.48 -4.93 105.19 106.71 1prt n GLY 77 Ca 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 1prt n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1prt h ALA 78 N 0.00 0.15 0.00 4.61 0.00 -1.24 -3.03 119.26 119.75 1prt h ALA 78 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1prt h ALA 78 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1prt h ALA 78 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1prt n GLY 79 N 0.68 -0.54 0.00 0.00 0.00 -1.26 -2.86 105.19 101.21 1prt n GLY 79 Ca -0.08 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 45.97 1prt n GLY 79 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1prt n PHE 80 N -0.84 0.00 0.13 1.61 3.72 -1.15 -2.45 117.46 118.48 1prt n PHE 80 Ca 0.09 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.51 1prt n PHE 80 Cb 0.04 -0.36 0.40 0.00 -0.94 0.00 0.00 39.48 38.62 1prt n PHE 80 CO 0.00 0.00 0.00 -0.84 -0.05 0.00 0.00 176.76 175.87 1prt h ILE 81 N 0.00 1.18 -3.59 4.37 3.07 -1.76 -3.33 117.51 117.45 1prt h ILE 81 Ca 0.00 -0.78 -0.52 0.00 1.55 0.00 0.00 64.86 65.12 1prt h ILE 81 Cb 0.26 1.23 -0.02 0.00 -0.27 0.00 0.00 36.82 38.02 1prt h ILE 81 CO 0.00 0.24 0.31 -0.31 -1.05 0.00 0.00 178.15 177.34 1prt s TYR 82 N -4.71 3.85 0.18 0.16 2.02 -1.03 -4.93 117.35 112.90 1prt s TYR 82 Ca -0.05 1.76 -0.24 0.00 -0.37 0.00 0.00 57.07 58.17 1prt s TYR 82 Cb 0.15 -2.97 0.07 0.00 -0.40 0.00 0.00 41.96 38.81 1prt s TYR 82 CO 0.73 0.31 1.57 -0.09 -1.57 0.00 0.00 175.55 176.50 1prt h ARG 83 N 5.13 -0.18 -5.63 -0.62 2.43 -1.88 -3.31 114.38 110.31 1prt h ARG 83 Ca -0.44 0.01 -0.60 0.00 -0.81 0.00 0.00 59.98 58.14 1prt h ARG 83 Cb 1.21 0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 30.70 1prt h ARG 83 CO 0.70 -0.12 0.21 -2.00 -1.51 0.00 0.00 179.97 177.25 1prt s GLU 84 N -5.87 4.17 -0.08 0.20 -6.30 -1.26 -0.93 118.70 108.63 1prt s GLU 84 Ca -0.14 0.66 0.03 0.00 -2.50 0.00 0.00 54.97 53.02 1prt s GLU 84 Cb 0.14 -3.62 -0.02 0.00 0.00 0.00 0.00 34.13 30.63 1prt s GLU 84 CO 0.67 -0.37 -0.17 0.99 0.02 0.00 0.00 175.26 176.40 1prt s THR 85 N 2.34 2.74 -0.03 -1.70 2.01 -1.11 -0.27 115.64 119.63 1prt s THR 85 Ca 0.29 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 1prt s THR 85 Cb -0.16 -2.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 1prt s THR 85 CO 0.09 0.56 1.13 -0.36 -0.69 0.00 0.00 174.62 175.36 1prt s PHE 86 N -0.23 3.38 0.05 4.92 0.08 -0.50 -2.14 117.98 123.54 1prt s PHE 86 Ca 0.00 1.37 0.05 0.00 0.12 0.00 0.00 56.93 58.47 1prt s PHE 86 Cb -0.13 -3.34 -0.02 0.00 -0.57 0.00 0.00 43.02 38.96 1prt s PHE 86 CO 0.03 -0.92 -0.13 0.00 -0.10 0.00 0.00 175.22 174.10 1prt s ILE 88 N -1.03 3.04 -0.05 0.00 -4.36 -0.40 -0.72 121.20 117.67 1prt s ILE 88 Ca -0.01 -1.56 -0.24 0.00 -0.26 0.00 0.00 60.65 58.59 1prt s ILE 88 Cb -0.09 -2.45 -0.04 0.00 1.25 0.00 0.00 42.46 41.14 1prt s ILE 88 CO 0.02 0.01 0.72 0.42 0.24 0.00 0.00 174.94 176.34 1prt s THR 89 N -1.41 5.01 0.42 8.37 -4.23 -0.32 -0.07 115.64 123.40 1prt s THR 89 Ca 0.21 1.49 0.29 0.00 -1.18 0.00 0.00 61.69 62.50 1prt s THR 89 Cb -0.10 -4.06 0.31 0.00 1.34 0.00 0.00 72.50 70.00 1prt s THR 89 CO 0.13 0.26 2.09 0.71 -0.54 0.00 0.00 174.62 177.27 1prt h THR 90 N 4.69 0.49 -2.75 3.99 1.35 -1.67 -3.44 112.91 115.57 1prt h THR 90 Ca -0.41 -0.47 -0.67 0.00 -0.55 0.00 0.00 66.41 64.31 1prt h THR 90 Cb 1.20 1.32 -0.08 0.00 -1.73 0.00 0.00 68.15 68.85 1prt h THR 90 CO 0.75 0.10 -0.50 -0.51 -0.25 0.00 0.00 175.52 175.11 1prt s ILE 91 N -4.17 5.37 -0.03 6.82 2.07 -1.26 0.39 121.20 130.37 1prt s ILE 91 Ca -0.03 0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.37 1prt s ILE 91 Cb 0.13 -3.34 0.03 0.00 0.13 0.00 0.00 42.46 39.41 1prt s ILE 91 CO 0.57 0.61 -0.01 -0.47 -1.91 0.00 0.00 174.94 173.73 1prt s TYR 92 N -0.93 0.41 -0.54 3.50 5.04 0.88 -4.98 117.35 120.72 1prt s TYR 92 Ca 0.14 -0.04 -0.22 0.00 -2.44 0.00 0.00 57.07 54.51 1prt s TYR 92 Cb -0.12 -0.48 0.05 0.00 0.35 0.00 0.00 41.96 41.76 1prt s TYR 92 CO 0.03 -0.15 0.83 0.15 -1.34 0.00 0.00 175.55 175.07 1prt s LYS 93 N 1.08 3.24 0.08 4.97 -0.14 -1.26 0.84 119.74 128.55 1prt s LYS 93 Ca -0.09 -0.52 -0.33 0.00 -1.36 0.00 0.00 55.97 53.66 1prt s LYS 93 Cb -0.14 -4.08 -0.17 0.00 -1.68 0.00 0.00 37.83 31.76 1prt s LYS 93 CO -0.02 -1.42 1.60 1.15 -0.76 0.00 0.00 175.35 175.91 1prt h THR 94 N 5.96 0.22 0.00 2.17 2.02 -1.73 -3.47 112.91 118.08 1prt h THR 94 Ca -0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1prt h THR 94 Cb 1.08 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1prt h THR 94 CO 1.05 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.55 1prt n GLY 95 N -1.52 2.59 3.61 2.16 0.00 -1.25 -5.08 105.19 105.70 1prt n GLY 95 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1prt n GLY 95 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1prt n GLN 96 N -0.58 0.10 -1.54 1.61 7.27 -1.26 -4.94 117.38 118.04 1prt n GLN 96 Ca 0.00 0.10 -0.33 0.00 0.07 0.00 0.00 57.00 56.85 1prt n GLN 96 Cb 0.00 -2.25 0.07 0.00 2.41 0.00 0.00 30.24 30.47 1prt n GLN 96 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1prt s PRO 97 N -3.84 2.49 0.00 3.69 0.02 -1.26 -4.61 135.00 131.50 1prt s PRO 97 Ca 0.69 1.39 0.00 0.00 0.02 0.00 0.00 61.00 63.10 1prt s PRO 97 Cb -0.29 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.32 1prt s PRO 97 CO 0.55 -1.49 0.61 0.00 -0.33 0.00 0.00 177.00 176.33 1prt n ALA 98 N -2.82 2.17 -0.71 -1.55 0.00 -1.26 -4.48 120.51 111.85 1prt n ALA 98 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.26 1prt n ALA 98 Cb 0.52 -1.00 0.22 0.00 0.00 0.00 0.00 19.45 19.19 1prt n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1prt s ALA 99 N -0.08 0.15 -0.04 0.00 0.00 -1.26 -4.91 121.76 115.62 1prt s ALA 99 Ca 0.00 -0.05 -0.19 0.00 0.00 0.00 0.00 51.96 51.72 1prt s ALA 99 Cb 0.00 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 1prt s ALA 99 CO 0.00 -3.44 0.55 0.34 0.00 0.00 0.00 175.76 173.21 1prt s ASP 100 N -2.74 6.87 0.00 0.00 2.15 -1.26 -4.38 116.67 117.31 1prt s ASP 100 Ca 0.67 1.03 0.02 0.00 0.43 0.00 0.00 52.55 54.71 1prt s ASP 100 Cb -0.23 -2.33 -0.01 0.00 -0.30 0.00 0.00 42.92 40.05 1prt s ASP 100 CO 0.62 0.08 -0.07 -1.00 -0.17 0.00 0.00 175.17 174.63 1prt s HIS 101 N 0.04 0.60 0.16 -5.34 3.76 -1.00 -5.00 115.29 108.51 1prt s HIS 101 Ca 0.29 -0.16 -0.09 0.00 -0.15 0.00 0.00 55.06 54.95 1prt s HIS 101 Cb -0.17 -0.38 -0.01 0.00 1.11 0.00 0.00 32.58 33.13 1prt s HIS 101 CO 0.15 -0.02 0.29 1.52 -0.85 0.00 0.00 174.74 175.83 1prt s TYR 102 N -0.31 0.36 -0.01 1.40 1.13 -1.26 0.60 117.35 119.25 1prt s TYR 102 Ca 0.01 -0.72 0.02 0.00 -1.41 0.00 0.00 57.07 54.96 1prt s TYR 102 Cb -0.03 -0.04 -0.00 0.00 -1.10 0.00 0.00 41.96 40.79 1prt s TYR 102 CO -0.00 -0.71 -0.06 0.71 -2.51 0.00 0.00 175.55 172.98 1prt s TYR 103 N -3.95 0.54 0.36 -3.49 2.02 -0.19 -4.95 117.35 107.69 1prt s TYR 103 Ca 0.16 -0.11 0.08 0.00 -0.37 0.00 0.00 57.07 56.83 1prt s TYR 103 Cb 0.03 -0.37 -0.03 0.00 -0.40 0.00 0.00 41.96 41.19 1prt s TYR 103 CO -0.01 -0.03 0.30 -1.12 -1.57 0.00 0.00 175.55 173.12 1prt s SER 104 N 0.00 5.14 -1.93 2.29 0.01 -1.26 -0.54 113.70 117.42 1prt s SER 104 Ca 0.00 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1prt s SER 104 Cb -0.04 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.38 1prt s SER 104 CO -0.00 -0.44 0.00 0.29 0.41 0.00 0.00 173.24 173.49 1prt n LYS 105 N -1.40 -1.52 -3.50 12.44 4.76 -0.67 -4.93 118.16 123.35 1prt n LYS 105 Ca -0.00 1.08 -0.27 0.00 -2.87 0.00 0.00 58.31 56.24 1prt n LYS 105 Cb 0.61 -5.51 -0.03 0.00 -1.84 0.00 0.00 35.03 28.26 1prt n LYS 105 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1prt s VAL 106 N -2.70 5.11 0.17 -0.18 -7.23 -0.81 -4.60 120.40 110.15 1prt s VAL 106 Ca 0.00 -0.19 0.11 0.00 -1.81 0.00 0.00 61.98 60.09 1prt s VAL 106 Cb 0.00 -3.75 -0.04 0.00 0.56 0.00 0.00 36.38 33.15 1prt s VAL 106 CO 0.00 -0.29 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.40 1prt s THR 107 N -2.02 2.53 -0.16 5.32 2.01 -0.86 -0.35 115.64 122.11 1prt s THR 107 Ca 0.41 -1.86 -0.16 0.00 0.31 0.00 0.00 61.69 60.40 1prt s THR 107 Cb -0.11 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1prt s THR 107 CO 0.30 -0.05 0.37 0.00 -0.69 0.00 0.00 174.62 174.55 1prt s ALA 108 N -1.49 3.55 0.30 7.40 0.00 -1.26 -1.14 121.76 129.12 1prt s ALA 108 Ca 0.20 -0.40 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 1prt s ALA 108 Cb -0.09 -2.53 -0.01 0.00 0.00 0.00 0.00 23.12 20.49 1prt s ALA 108 CO 0.10 -0.04 0.38 0.95 0.00 0.00 0.00 175.76 177.15 1prt s THR 109 N 0.75 0.00 -1.06 0.00 -4.23 0.36 -4.72 115.64 106.75 1prt s THR 109 Ca 0.20 -1.71 -0.12 0.00 -1.18 0.00 0.00 61.69 58.88 1prt s THR 109 Cb -0.14 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 1prt s THR 109 CO 0.07 0.00 0.84 0.54 -0.54 0.00 0.00 174.62 175.53 1prt n ARG 110 N -0.49 -1.70 -0.68 3.99 1.74 -1.26 0.66 116.66 118.92 1prt n ARG 110 Ca 0.02 0.74 -0.31 0.00 -0.77 0.00 0.00 57.85 57.52 1prt n ARG 110 Cb 0.62 -4.99 0.17 0.00 -1.02 0.00 0.00 32.46 27.24 1prt n ARG 110 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1prt n LEU 111 N -3.51 0.74 -3.64 0.55 4.77 -1.26 -4.20 117.00 110.45 1prt n LEU 111 Ca -0.08 0.23 -0.07 0.00 -0.03 0.00 0.00 56.01 56.05 1prt n LEU 111 Cb 0.60 -1.30 -0.07 0.00 -2.33 0.00 0.00 43.42 40.32 1prt n LEU 111 CO 0.62 -2.93 0.58 -0.22 -1.33 0.00 0.00 177.39 174.12 1prt s LEU 112 N -4.39 -0.63 -0.09 2.23 2.96 -1.13 -4.94 118.68 112.68 1prt s LEU 112 Ca 0.63 1.09 -0.04 0.00 -0.22 0.00 0.00 54.13 55.58 1prt s LEU 112 Cb -0.22 2.05 0.04 0.00 0.50 0.00 0.00 46.19 48.57 1prt s LEU 112 CO 0.63 -0.18 0.22 0.00 -1.32 0.00 0.00 176.35 175.70 1prt s ALA 113 N 0.90 -0.47 0.38 5.97 0.00 -1.26 -0.68 121.76 126.60 1prt s ALA 113 Ca -0.04 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1prt s ALA 113 Cb -0.05 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1prt s ALA 113 CO -0.11 -0.20 0.00 0.43 0.00 0.00 0.00 175.76 175.89 1prt n SER 114 N 4.25 0.00 0.00 0.00 7.64 -1.20 -5.05 113.62 119.27 1prt n SER 114 Ca -0.25 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.63 1prt n SER 114 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1prt n SER 114 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1prt n THR 115 N 0.00 0.00 -2.23 0.44 -1.04 -1.26 -4.61 114.28 105.58 1prt n THR 115 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 1prt n THR 115 Cb 0.00 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 68.22 1prt n THR 115 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1prt n ASN 116 N -0.24 7.60 -1.47 8.00 3.02 -1.26 -4.84 115.26 126.07 1prt n ASN 116 Ca 0.00 -3.30 -0.03 0.00 -0.03 0.00 0.00 54.58 51.22 1prt n ASN 116 Cb 0.00 -1.31 -0.01 0.00 -0.61 0.00 0.00 39.78 37.85 1prt n ASN 116 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1prt n SER 117 N 1.38 -0.34 -4.71 6.41 7.64 -1.26 -4.67 113.62 118.07 1prt n SER 117 Ca 0.55 -1.44 -0.32 0.00 1.01 0.00 0.00 58.87 58.67 1prt n SER 117 Cb 0.26 0.62 0.13 0.00 -1.01 0.00 0.00 64.21 64.22 1prt n SER 117 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1prt s ARG 118 N -2.17 1.57 -0.14 1.43 1.70 -1.26 -4.53 118.95 115.55 1prt s ARG 118 Ca 0.07 1.53 -0.02 0.00 -0.47 0.00 0.00 55.73 56.83 1prt s ARG 118 Cb -0.00 -1.79 -0.03 0.00 -0.57 0.00 0.00 34.95 32.56 1prt s ARG 118 CO 0.05 -2.22 -0.06 -1.17 -1.08 0.00 0.00 175.30 170.82 1prt s LEU 119 N -6.07 3.14 0.31 -1.89 2.96 -0.93 -3.21 118.68 112.98 1prt s LEU 119 Ca 0.68 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.47 1prt s LEU 119 Cb -0.23 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 1prt s LEU 119 CO 0.54 0.20 0.09 0.00 -1.32 0.00 0.00 176.35 175.86 1prt s ALA 121 N -3.45 -0.76 -0.19 0.00 0.00 -0.30 -2.86 121.76 114.21 1prt s ALA 121 Ca 0.35 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 52.32 1prt s ALA 121 Cb 0.07 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 1prt s ALA 121 CO 0.15 -0.45 -0.03 0.08 0.00 0.00 0.00 175.76 175.51 1prt s VAL 122 N -2.68 3.69 -0.16 0.00 1.01 0.21 -1.49 120.40 120.98 1prt s VAL 122 Ca -0.04 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 1prt s VAL 122 Cb -0.00 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1prt s VAL 122 CO -0.04 0.45 0.24 -0.36 0.00 0.00 0.00 175.10 175.39 1prt s PHE 123 N 0.88 3.46 -0.06 5.22 0.40 0.13 -0.49 117.98 127.53 1prt s PHE 123 Ca -0.00 0.53 0.04 0.00 -0.60 0.00 0.00 56.93 56.89 1prt s PHE 123 Cb -0.15 -2.26 0.00 0.00 0.51 0.00 0.00 43.02 41.12 1prt s PHE 123 CO 0.01 0.29 -0.16 0.08 0.70 0.00 0.00 175.22 176.15 1prt s VAL 124 N 0.30 1.40 -0.20 -0.44 1.01 -0.29 0.23 120.40 122.41 1prt s VAL 124 Ca 0.14 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 1prt s VAL 124 Cb -0.12 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 1prt s VAL 124 CO 0.02 0.41 -0.07 -0.60 0.00 0.00 0.00 175.10 174.86 1prt s ARG 125 N 0.26 3.34 -1.54 2.72 3.52 -0.08 -2.03 118.95 125.14 1prt s ARG 125 Ca -0.09 -0.65 -0.11 0.00 -0.13 0.00 0.00 55.73 54.75 1prt s ARG 125 Cb -0.13 -2.91 0.11 0.00 -1.56 0.00 0.00 34.95 30.46 1prt s ARG 125 CO 0.03 -0.13 0.27 -0.40 -0.81 0.00 0.00 175.30 174.26 1prt n ASP 126 N 4.58 -0.39 0.00 -2.12 5.68 -1.26 -1.23 116.55 121.81 1prt n ASP 126 Ca -0.18 -1.14 0.00 0.00 -0.50 0.00 0.00 54.79 52.97 1prt n ASP 126 Cb 0.51 -1.43 0.00 0.00 -1.14 0.00 0.00 41.12 39.06 1prt n ASP 126 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1prt n GLY 127 N -1.72 3.17 3.76 6.12 0.00 -1.26 -5.06 105.19 110.20 1prt n GLY 127 Ca -0.09 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 1prt n GLY 127 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1prt s GLN 128 N 0.00 4.74 -0.18 1.61 -2.07 -0.37 -4.99 119.66 118.40 1prt s GLN 128 Ca 0.00 1.58 -0.29 0.00 -1.82 0.00 0.00 55.36 54.83 1prt s GLN 128 Cb 0.00 -3.19 -0.00 0.00 -1.09 0.00 0.00 33.01 28.73 1prt s GLN 128 CO 0.00 0.37 1.15 -1.12 -1.32 0.00 0.00 175.29 174.37 1prt s SER 129 N -1.13 7.04 -0.19 12.60 0.01 -1.26 -0.91 113.70 129.86 1prt s SER 129 Ca 0.43 1.55 -0.18 0.00 1.31 0.00 0.00 55.95 59.07 1prt s SER 129 Cb -0.27 -2.54 -0.20 0.00 0.21 0.00 0.00 66.02 63.21 1prt s SER 129 CO 0.34 -0.69 0.23 0.52 0.41 0.00 0.00 173.24 174.05 1prt n VAL 130 N 5.26 1.59 -3.54 3.43 0.31 0.14 -4.88 118.33 120.63 1prt n VAL 130 Ca 0.13 -0.18 -0.08 0.00 -0.01 0.00 0.00 64.34 64.20 1prt n VAL 130 Cb 0.46 -1.97 -0.02 0.00 -0.91 0.00 0.00 33.84 31.40 1prt n VAL 130 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1prt s ILE 131 N -2.41 0.00 0.08 2.52 1.10 -1.00 -4.67 121.20 116.83 1prt s ILE 131 Ca -0.28 -0.13 0.08 0.00 -0.51 0.00 0.00 60.65 59.81 1prt s ILE 131 Cb 0.06 -1.18 -0.04 0.00 0.15 0.00 0.00 42.46 41.45 1prt s ILE 131 CO 0.63 0.00 -0.19 -0.83 -2.11 0.00 0.00 174.94 172.44 1prt s GLY 132 N -2.62 1.63 0.02 1.50 0.00 0.12 0.19 107.32 108.16 1prt s GLY 132 Ca 0.06 -1.29 0.04 0.00 0.00 0.00 0.00 44.72 43.52 1prt s GLY 132 CO -0.08 -1.23 -0.12 0.00 0.00 0.00 0.00 173.10 171.67 1prt s ALA 133 N -1.04 1.00 0.16 3.20 0.00 -0.55 -0.97 121.76 123.56 1prt s ALA 133 Ca 0.16 -0.64 0.06 0.00 0.00 0.00 0.00 51.96 51.54 1prt s ALA 133 Cb -0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1prt s ALA 133 CO 0.08 0.21 -0.13 0.00 0.00 0.00 0.00 175.76 175.91 1prt s ALA 135 N -2.83 -0.82 -0.02 0.00 0.00 -0.10 -1.77 121.76 116.22 1prt s ALA 135 Ca 0.16 1.20 0.06 0.00 0.00 0.00 0.00 51.96 53.38 1prt s ALA 135 Cb -0.01 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 1prt s ALA 135 CO 0.04 -0.60 -0.19 0.45 0.00 0.00 0.00 175.76 175.45 1prt s SER 136 N 2.28 2.22 0.08 0.00 0.15 -1.26 -2.19 113.70 114.98 1prt s SER 136 Ca -0.02 -0.34 0.26 0.00 0.70 0.00 0.00 55.95 56.55 1prt s SER 136 Cb -0.11 -0.28 0.80 0.00 -1.71 0.00 0.00 66.02 64.71 1prt s SER 136 CO -0.10 0.23 1.67 -0.81 1.20 0.00 0.00 173.24 175.42 1prt n PRO 137 N 2.66 0.14 0.12 5.44 -0.04 -1.26 -4.05 135.00 138.01 1prt n PRO 137 Ca -0.15 0.08 -0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1prt n PRO 137 Cb 0.53 -1.63 0.05 0.00 -0.04 0.00 0.00 33.50 32.42 1prt n PRO 137 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1prt h TYR 138 N 0.00 0.00 -2.23 0.54 0.05 -1.90 -3.45 116.97 109.97 1prt h TYR 138 Ca 0.00 0.00 0.16 0.00 0.05 0.00 0.00 58.73 58.94 1prt h TYR 138 Cb 0.62 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 38.24 1prt h TYR 138 CO 0.00 0.65 0.52 -1.83 -1.05 0.00 0.00 178.16 176.45 1prt s GLU 139 N -3.06 0.96 0.00 4.88 -1.05 -1.26 -5.09 118.70 114.08 1prt s GLU 139 Ca 0.02 -0.47 0.00 0.00 -0.15 0.00 0.00 54.97 54.37 1prt s GLU 139 Cb 0.09 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 1prt s GLU 139 CO 0.76 -0.43 0.00 0.41 0.95 0.00 0.00 175.26 176.95 1prt n GLY 140 N -0.37 2.79 0.34 -3.83 0.00 -1.26 -4.37 105.19 98.49 1prt n GLY 140 Ca -0.07 -2.04 -0.05 0.00 0.00 0.00 0.00 46.02 43.86 1prt n GLY 140 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1prt h ARG 141 N 0.00 1.20 -1.05 1.61 9.65 -2.01 -2.90 114.38 120.88 1prt h ARG 141 Ca 0.00 -0.18 -0.67 0.00 -1.10 0.00 0.00 59.98 58.04 1prt h ARG 141 Cb 0.00 -0.22 -0.31 0.00 -1.39 0.00 0.00 29.97 28.05 1prt h ARG 141 CO 0.00 0.92 0.61 0.66 2.80 0.00 0.00 179.97 184.96 1prt n TYR 142 N -4.33 3.15 0.31 2.20 4.02 -1.26 -4.63 117.16 116.62 1prt n TYR 142 Ca 0.08 -2.86 0.20 0.00 -0.01 0.00 0.00 57.90 55.31 1prt n TYR 142 Cb 0.14 -1.25 0.92 0.00 -0.02 0.00 0.00 39.34 39.13 1prt n TYR 142 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1prt h ARG 143 N 2.11 0.00 0.00 -0.72 0.11 -1.70 -2.72 114.38 111.46 1prt h ARG 143 Ca 0.57 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.61 1prt h ARG 143 Cb 0.86 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.94 1prt h ARG 143 CO 1.45 0.00 -0.74 -0.44 0.10 0.00 0.00 179.97 180.34 1prt h ASP 144 N 0.00 0.00 0.18 0.08 3.32 -1.85 -3.30 116.42 114.85 1prt h ASP 144 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1prt h ASP 144 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1prt h ASP 144 CO 0.00 0.13 -0.07 0.23 -1.72 0.00 0.00 179.24 177.80 1prt n MET 145 N -2.88 1.03 0.12 3.56 2.81 -1.03 -4.20 117.12 116.53 1prt n MET 145 Ca -0.00 -0.42 -0.13 0.00 -1.81 0.00 0.00 57.70 55.34 1prt n MET 145 Cb 0.60 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.56 1prt n MET 145 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 1prt h TYR 146 N 1.02 -0.85 -0.29 2.03 3.20 -1.64 -0.92 116.97 119.51 1prt h TYR 146 Ca 0.00 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.97 1prt h TYR 146 Cb 0.34 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1prt h TYR 146 CO 0.00 -0.42 0.30 0.22 -1.64 0.00 0.00 178.16 176.62 1prt h ASP 147 N -0.54 0.00 0.00 -2.11 3.58 -1.85 0.18 116.42 115.68 1prt h ASP 147 Ca 0.03 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.35 1prt h ASP 147 Cb 0.57 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 1prt h ASP 147 CO -0.18 0.00 -0.73 0.00 -2.88 0.00 0.00 179.24 175.45 1prt h ALA 148 N 1.67 0.15 0.35 -0.78 0.00 -1.69 -3.36 119.26 115.60 1prt h ALA 148 Ca 0.14 -0.90 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 1prt h ALA 148 Cb 0.74 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1prt h ALA 148 CO -0.00 0.41 -0.32 -0.07 0.00 0.00 0.00 179.25 179.27 1prt h LEU 149 N -0.97 -0.85 -1.63 0.00 3.38 -0.23 -2.55 115.31 112.46 1prt h LEU 149 Ca -0.20 0.07 0.33 0.00 0.09 0.00 0.00 57.88 58.17 1prt h LEU 149 Cb 1.19 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 42.15 1prt h LEU 149 CO -0.11 -0.46 0.79 0.08 0.09 0.00 0.00 178.44 178.83 1prt h ARG 150 N -0.69 0.18 -0.29 1.13 0.11 -1.20 0.39 114.38 114.02 1prt h ARG 150 Ca -0.02 -0.01 -0.12 0.00 0.10 0.00 0.00 59.98 59.93 1prt h ARG 150 Cb 0.61 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.64 1prt h ARG 150 CO -0.04 0.12 -0.30 0.00 0.10 0.00 0.00 179.97 179.85 1prt h ARG 151 N 0.19 0.60 0.00 0.08 3.08 -1.60 -0.33 114.38 116.40 1prt h ARG 151 Ca 0.62 -0.26 -0.22 0.00 0.07 0.00 0.00 59.98 60.20 1prt h ARG 151 Cb 2.01 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 32.01 1prt h ARG 151 CO -0.19 0.83 -1.27 1.25 -1.07 0.00 0.00 179.97 179.52 1prt h LEU 152 N 0.51 0.00 -0.29 3.04 5.85 -0.41 -2.95 115.31 121.06 1prt h LEU 152 Ca 0.06 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1prt h LEU 152 Cb 0.78 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1prt h LEU 152 CO 0.06 0.85 0.15 0.25 -0.34 0.00 0.00 178.44 179.41 1prt h LEU 153 N 0.00 0.23 -0.35 2.25 6.46 -0.40 -1.41 115.31 122.08 1prt h LEU 153 Ca -0.14 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.63 1prt h LEU 153 Cb 1.77 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 41.65 1prt h LEU 153 CO 0.09 0.17 0.22 0.22 -0.62 0.00 0.00 178.44 178.52 1prt h TYR 154 N 0.32 0.46 -0.17 1.25 5.03 -1.10 -2.14 116.97 120.62 1prt h TYR 154 Ca 0.12 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.43 1prt h TYR 154 Cb 0.03 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.15 1prt h TYR 154 CO -0.09 0.32 0.10 1.98 -1.32 0.00 0.00 178.16 179.15 1prt h MET 155 N 0.46 0.23 0.00 1.82 4.05 -1.27 -1.20 114.93 119.02 1prt h MET 155 Ca 0.13 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.49 1prt h MET 155 Cb -0.01 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.74 1prt h MET 155 CO -0.02 0.19 -0.16 -0.84 0.23 0.00 0.00 176.91 176.30 1prt h ILE 156 N 0.20 0.48 0.03 1.77 3.07 -1.12 0.58 117.51 122.51 1prt h ILE 156 Ca 0.06 -0.85 -0.21 0.00 1.55 0.00 0.00 64.86 65.42 1prt h ILE 156 Cb 0.02 1.59 0.02 0.00 -0.27 0.00 0.00 36.82 38.18 1prt h ILE 156 CO -0.01 0.16 -0.83 0.22 -1.05 0.00 0.00 178.15 176.64 1prt h TYR 157 N 0.00 0.78 -0.20 0.16 5.03 -1.06 -3.27 116.97 118.41 1prt h TYR 157 Ca -0.00 -0.44 -0.10 0.00 2.58 0.00 0.00 58.73 60.76 1prt h TYR 157 Cb 0.58 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.76 1prt h TYR 157 CO 0.00 1.28 -0.30 0.52 -1.32 0.00 0.00 178.16 178.34 1prt h MET 158 N 0.05 0.40 -6.08 1.82 2.86 -0.78 -3.44 114.93 109.77 1prt h MET 158 Ca -0.11 -0.16 -0.55 0.00 -2.06 0.00 0.00 59.70 56.81 1prt h MET 158 Cb 1.53 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 33.14 1prt h MET 158 CO 0.16 0.67 -0.49 -1.54 1.06 0.00 0.00 176.91 176.77 1prt s SER 159 N -6.84 6.15 -0.68 1.22 1.04 0.16 -4.98 113.70 109.77 1prt s SER 159 Ca -0.06 0.11 -0.06 0.00 0.48 0.00 0.00 55.95 56.41 1prt s SER 159 Cb 0.14 -1.80 -0.10 0.00 0.10 0.00 0.00 66.02 64.35 1prt s SER 159 CO 0.78 0.06 3.12 0.61 0.98 0.00 0.00 173.24 178.79 1prt n GLY 160 N -0.47 3.90 3.63 7.32 0.00 -1.26 -4.69 105.19 113.62 1prt n GLY 160 Ca -0.07 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 1prt n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1prt s LEU 161 N -0.71 4.08 0.47 0.99 1.43 -1.25 -5.05 118.68 118.64 1prt s LEU 161 Ca 0.64 0.30 -0.24 0.00 -1.03 0.00 0.00 54.13 53.81 1prt s LEU 161 Cb 0.28 -2.37 -0.07 0.00 0.03 0.00 0.00 46.19 44.06 1prt s LEU 161 CO -0.08 -0.10 1.30 0.00 0.23 0.00 0.00 176.35 177.70 1prt s ALA 162 N 1.67 3.03 0.05 4.21 0.00 -1.26 -4.73 121.76 124.74 1prt s ALA 162 Ca 0.14 1.22 -0.03 0.00 0.00 0.00 0.00 51.96 53.29 1prt s ALA 162 Cb -0.15 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 1prt s ALA 162 CO 0.09 -1.02 0.04 0.08 0.00 0.00 0.00 175.76 174.95 1prt s VAL 163 N -1.34 0.17 -0.23 0.00 1.01 0.53 -1.71 120.40 118.84 1prt s VAL 163 Ca 0.64 -1.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 1prt s VAL 163 Cb -0.37 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1prt s VAL 163 CO 0.46 -0.79 0.07 -0.60 0.00 0.00 0.00 175.10 174.24 1prt s ARG 164 N -3.37 3.75 -0.05 2.72 3.52 -0.10 -1.66 118.95 123.76 1prt s ARG 164 Ca 0.02 -0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 1prt s ARG 164 Cb 0.04 -3.30 -0.03 0.00 -1.56 0.00 0.00 34.95 30.10 1prt s ARG 164 CO -0.08 -0.06 -0.02 0.54 -0.81 0.00 0.00 175.30 174.88 1prt s VAL 165 N 1.26 4.10 0.01 7.11 0.11 0.30 -1.23 120.40 132.06 1prt s VAL 165 Ca 0.05 -0.43 0.02 0.00 -2.93 0.00 0.00 61.98 58.69 1prt s VAL 165 Cb -0.15 -2.75 -0.04 0.00 -1.53 0.00 0.00 36.38 31.92 1prt s VAL 165 CO 0.04 0.52 0.00 -1.00 -3.33 0.00 0.00 175.10 171.33 1prt s HIS 166 N -0.93 3.07 -0.15 1.54 3.76 0.11 -1.02 115.29 121.67 1prt s HIS 166 Ca 0.15 0.07 -0.15 0.00 -0.15 0.00 0.00 55.06 54.98 1prt s HIS 166 Cb -0.11 -1.65 0.04 0.00 1.11 0.00 0.00 32.58 31.97 1prt s HIS 166 CO 0.05 0.47 0.42 0.54 -0.85 0.00 0.00 174.74 175.36 1prt s VAL 167 N -1.13 0.00 -0.25 -0.90 0.11 0.20 -2.12 120.40 116.30 1prt s VAL 167 Ca 0.21 -0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 59.15 1prt s VAL 167 Cb -0.12 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1prt s VAL 167 CO 0.12 -0.01 0.13 -0.55 -3.33 0.00 0.00 175.10 171.47 1prt s SER 168 N 0.18 5.72 -0.03 3.54 0.15 -0.11 -2.38 113.70 120.76 1prt s SER 168 Ca -0.00 -0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.62 1prt s SER 168 Cb -0.03 -2.04 0.08 0.00 -1.71 0.00 0.00 66.02 62.32 1prt s SER 168 CO 0.01 -0.00 0.81 0.29 1.20 0.00 0.00 173.24 175.54 1prt n LYS 169 N 4.73 1.30 -0.11 5.44 5.02 -1.26 -3.21 118.16 130.07 1prt n LYS 169 Ca -0.15 -0.32 -0.10 0.00 -2.02 0.00 0.00 58.31 55.71 1prt n LYS 169 Cb 0.52 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 34.10 1prt n LYS 169 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1prt h GLU 170 N 0.30 0.52 -4.85 1.97 4.81 -1.81 -3.41 114.58 112.10 1prt h GLU 170 Ca 0.03 -0.12 -0.44 0.00 -0.13 0.00 0.00 59.36 58.69 1prt h GLU 170 Cb 0.86 -0.07 -0.30 0.00 0.63 0.00 0.00 28.75 29.88 1prt h GLU 170 CO 0.08 0.58 -0.79 -1.83 -0.73 0.00 0.00 179.01 176.31 1prt s GLU 171 N -5.31 1.00 -0.07 1.92 -1.05 -1.25 -2.44 118.70 111.50 1prt s GLU 171 Ca -0.13 -0.38 -0.03 0.00 -0.15 0.00 0.00 54.97 54.27 1prt s GLU 171 Cb 0.09 -0.94 -0.04 0.00 -0.44 0.00 0.00 34.13 32.80 1prt s GLU 171 CO 0.75 0.19 0.10 -1.14 0.95 0.00 0.00 175.26 176.11 1prt s GLN 172 N -0.06 3.23 -0.09 -4.83 0.74 0.25 -3.44 119.66 115.46 1prt s GLN 172 Ca 0.01 -0.31 0.03 0.00 0.05 0.00 0.00 55.36 55.13 1prt s GLN 172 Cb -0.07 -3.00 -0.01 0.00 1.10 0.00 0.00 33.01 31.04 1prt s GLN 172 CO 0.00 0.71 -0.19 0.71 -0.55 0.00 0.00 175.29 175.98 1prt s TYR 173 N -1.08 2.65 -0.50 1.67 2.02 0.21 -0.08 117.35 122.24 1prt s TYR 173 Ca 0.18 -0.69 0.02 0.00 -0.37 0.00 0.00 57.07 56.22 1prt s TYR 173 Cb -0.12 -1.72 0.45 0.00 -0.40 0.00 0.00 41.96 40.17 1prt s TYR 173 CO 0.08 -0.20 1.61 0.66 -1.57 0.00 0.00 175.55 176.13 1prt n TYR 174 N 3.21 3.01 0.01 2.71 4.01 0.16 -4.01 117.16 126.26 1prt n TYR 174 Ca -0.18 -2.64 -0.10 0.00 -0.16 0.00 0.00 57.90 54.82 1prt n TYR 174 Cb 0.53 -0.87 -0.08 0.00 -0.31 0.00 0.00 39.34 38.60 1prt n TYR 174 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1prt h ASP 175 N 2.16 -0.12 -2.94 7.72 5.19 -1.95 -3.43 116.42 123.03 1prt h ASP 175 Ca 0.48 -0.44 -0.53 0.00 -0.62 0.00 0.00 57.03 55.93 1prt h ASP 175 Cb 1.11 0.03 0.03 0.00 0.18 0.00 0.00 39.33 40.68 1prt h ASP 175 CO 1.18 0.51 0.79 -0.31 -3.12 0.00 0.00 179.24 178.29 1prt s TYR 176 N -2.98 3.16 0.18 4.55 1.51 -1.26 -4.96 117.35 117.54 1prt s TYR 176 Ca -0.12 0.82 -0.21 0.00 -1.01 0.00 0.00 57.07 56.54 1prt s TYR 176 Cb -0.00 -3.79 -0.08 0.00 -0.11 0.00 0.00 41.96 37.97 1prt s TYR 176 CO 0.46 -2.84 0.71 -1.83 -1.11 0.00 0.00 175.55 170.93 1prt s GLU 177 N 1.04 4.32 -1.10 -0.62 1.03 -1.26 -4.26 118.70 117.86 1prt s GLU 177 Ca 0.67 0.92 -0.17 0.00 0.03 0.00 0.00 54.97 56.41 1prt s GLU 177 Cb -0.40 -3.05 -0.02 0.00 -0.80 0.00 0.00 34.13 29.86 1prt s GLU 177 CO 0.31 0.49 0.81 -0.25 -1.33 0.00 0.00 175.26 175.30 1prt n ASP 178 N 1.14 -5.69 -4.80 0.83 8.00 -1.26 -4.97 116.55 109.81 1prt n ASP 178 Ca -0.05 -0.92 -0.36 0.00 0.71 0.00 0.00 54.79 54.17 1prt n ASP 178 Cb 0.50 -3.76 -0.07 0.00 -0.02 0.00 0.00 41.12 37.77 1prt n ASP 178 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1prt s ALA 179 N -3.42 3.65 -1.35 2.24 0.00 -1.26 -4.93 121.76 116.69 1prt s ALA 179 Ca 0.45 -0.70 0.28 0.00 0.00 0.00 0.00 51.96 51.98 1prt s ALA 179 Cb -0.14 -1.79 1.01 0.00 0.00 0.00 0.00 23.12 22.20 1prt s ALA 179 CO 0.83 0.59 1.74 0.25 0.00 0.00 0.00 175.76 179.17 1prt n THR 180 N 2.10 0.00 -4.41 0.00 -2.24 -1.26 -0.78 114.28 107.68 1prt n THR 180 Ca -0.19 -0.04 -0.24 0.00 -2.27 0.00 0.00 64.05 61.31 1prt n THR 180 Cb 0.54 -0.06 -0.09 0.00 -2.10 0.00 0.00 70.33 68.63 1prt n THR 180 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1prt s PHE 181 N -2.72 2.42 0.11 4.78 -0.12 -1.26 -4.85 117.98 116.34 1prt s PHE 181 Ca 0.21 -0.30 -0.08 0.00 -0.05 0.00 0.00 56.93 56.71 1prt s PHE 181 Cb 0.19 -1.06 -0.06 0.00 -0.63 0.00 0.00 43.02 41.46 1prt s PHE 181 CO 0.55 0.69 0.40 -0.65 -0.05 0.00 0.00 175.22 176.15 1prt s GLN 182 N -3.56 3.71 -0.14 1.99 -0.21 -1.26 -4.87 119.66 115.31 1prt s GLN 182 Ca 0.30 0.08 0.02 0.00 0.02 0.00 0.00 55.36 55.78 1prt s GLN 182 Cb -0.05 -2.93 0.02 0.00 1.00 0.00 0.00 33.01 31.04 1prt s GLN 182 CO 0.17 0.52 -0.18 0.99 -2.12 0.00 0.00 175.29 174.66 1prt s THR 183 N -1.50 1.83 0.29 -0.19 2.01 -1.26 0.11 115.64 116.92 1prt s THR 183 Ca 0.36 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1prt s THR 183 Cb -0.13 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 70.72 1prt s THR 183 CO 0.20 0.50 0.06 -1.22 -0.69 0.00 0.00 174.62 173.47 1prt n TYR 184 N 4.38 0.35 -2.53 4.92 4.01 -0.14 0.65 117.16 128.79 1prt n TYR 184 Ca -0.19 -1.66 -0.42 0.00 -0.16 0.00 0.00 57.90 55.47 1prt n TYR 184 Cb 0.51 -0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 39.42 1prt n TYR 184 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1prt s ALA 185 N -2.65 3.42 0.13 -0.72 0.00 -1.20 -0.76 121.76 119.98 1prt s ALA 185 Ca 0.08 0.59 -0.30 0.00 0.00 0.00 0.00 51.96 52.33 1prt s ALA 185 Cb 0.00 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 1prt s ALA 185 CO 0.06 -0.61 1.10 -1.17 0.00 0.00 0.00 175.76 175.13 1prt s LEU 186 N 1.85 4.45 0.00 0.00 2.96 -0.73 -0.94 118.68 126.28 1prt s LEU 186 Ca 0.54 2.01 0.00 0.00 -0.22 0.00 0.00 54.13 56.46 1prt s LEU 186 Cb -0.23 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.86 1prt s LEU 186 CO 0.23 -0.26 0.00 0.35 -1.32 0.00 0.00 176.35 175.34 1prt n THR 187 N 2.86 0.00 -3.54 3.68 -2.24 -0.90 -4.88 114.28 109.26 1prt n THR 187 Ca 0.04 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.67 1prt n THR 187 Cb 0.47 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 1prt n THR 187 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1prt s GLY 188 N -1.36 -0.48 0.02 3.38 0.00 -1.19 -4.98 107.32 102.71 1prt s GLY 188 Ca 0.00 1.58 0.04 0.00 0.00 0.00 0.00 44.72 46.34 1prt s GLY 188 CO 0.00 1.04 -0.12 -0.42 0.00 0.00 0.00 173.10 173.59 1prt s ILE 189 N -1.06 0.98 -0.26 0.90 1.01 -1.26 0.09 121.20 121.60 1prt s ILE 189 Ca -0.08 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 1prt s ILE 189 Cb -0.00 -0.87 0.12 0.00 0.01 0.00 0.00 42.46 41.71 1prt s ILE 189 CO 0.07 0.08 0.25 -0.44 0.00 0.00 0.00 174.94 174.90 1prt s SER 190 N -0.82 1.72 0.30 3.58 0.01 -0.37 -4.99 113.70 113.15 1prt s SER 190 Ca 0.02 -0.58 -0.27 0.00 1.31 0.00 0.00 55.95 56.43 1prt s SER 190 Cb -0.07 0.39 -0.14 0.00 0.21 0.00 0.00 66.02 66.41 1prt s SER 190 CO 0.01 -0.37 0.92 0.18 0.41 0.00 0.00 173.24 174.39 1prt n LEU 191 N 5.31 1.41 -4.76 2.44 4.32 -1.26 -0.92 117.00 123.54 1prt n LEU 191 Ca -0.04 1.14 -0.39 0.00 -0.02 0.00 0.00 56.01 56.70 1prt n LEU 191 Cb 0.47 -1.25 0.03 0.00 -1.62 0.00 0.00 43.42 41.05 1prt n LEU 191 CO 0.04 -1.70 0.99 0.00 -1.22 0.00 0.00 177.39 175.51 1prt s ASN 193 N -0.85 0.93 0.05 0.00 3.04 -1.26 -4.93 114.94 111.93 1prt s ASN 193 Ca 0.67 -0.89 -0.31 0.00 0.04 0.00 0.00 52.86 52.37 1prt s ASN 193 Cb -0.40 0.80 -0.18 0.00 -1.54 0.00 0.00 41.25 39.92 1prt s ASN 193 CO 0.49 -0.33 1.49 1.55 -3.04 0.00 0.00 177.10 177.27 1prt h PRO 194 N 7.79 -0.84 -1.69 0.43 0.13 -1.92 0.80 132.00 136.71 1prt h PRO 194 Ca -0.05 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1prt h PRO 194 Cb 1.09 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1prt h PRO 194 CO 0.26 -0.53 0.00 0.00 -0.23 0.00 0.00 178.00 177.50 1prt n ALA 195 N -2.52 2.00 -2.00 -0.56 0.00 -1.26 0.04 120.51 116.20 1prt n ALA 195 Ca -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.31 1prt n ALA 195 Cb 0.36 -1.12 -0.00 0.00 0.00 0.00 0.00 19.45 18.70 1prt n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1prt n ALA 196 N 1.00 2.01 -3.44 0.00 0.00 -1.19 -5.01 120.51 113.87 1prt n ALA 196 Ca 0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.14 1prt n ALA 196 Cb 0.19 -0.05 0.07 0.00 0.00 0.00 0.00 19.45 19.67 1prt n ALA 196 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1prt n SER 197 N 0.00 -5.00 -0.07 0.00 2.88 0.11 -4.95 113.62 106.60 1prt n SER 197 Ca -0.00 -0.51 -0.11 0.00 -1.33 0.00 0.00 58.87 56.92 1prt n SER 197 Cb 0.52 -4.62 -0.06 0.00 -0.75 0.00 0.00 64.21 59.30 1prt n SER 197 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1prt n ILE 198 N -4.54 0.76 -0.92 2.46 2.08 0.28 -5.00 119.36 114.48 1prt n ILE 198 Ca -0.06 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 62.99 1prt n ILE 198 Cb 0.58 -1.19 0.00 0.00 -0.75 0.00 0.00 39.64 38.28 1prt n ILE 198 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11