#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f6e s TYR 3 N 0.00 0.88 -0.02 2.98 1.13 -1.26 -5.12 117.35 115.94 2f6e s TYR 3 Ca 0.00 -0.49 0.02 0.00 -1.41 0.00 0.00 57.07 55.19 2f6e s TYR 3 Cb 0.00 -0.51 0.01 0.00 -1.10 0.00 0.00 41.96 40.36 2f6e s TYR 3 CO 0.00 -0.03 -0.06 0.12 -2.51 0.00 0.00 175.55 173.07 2f6e s PHE 4 N -1.36 0.68 -0.37 -3.49 5.36 -1.26 -5.00 117.98 112.54 2f6e s PHE 4 Ca -0.07 -0.15 -0.10 0.00 -0.96 0.00 0.00 56.93 55.64 2f6e s PHE 4 Cb -0.10 -0.52 0.03 0.00 -0.34 0.00 0.00 43.02 42.09 2f6e s PHE 4 CO 0.01 -0.09 0.19 -1.21 -1.46 0.00 0.00 175.22 172.67 2f6e s GLU 5 N 0.30 2.78 0.23 10.12 2.02 -1.26 -5.05 118.70 127.84 2f6e s GLU 5 Ca -0.04 -1.11 -0.32 0.00 0.02 0.00 0.00 54.97 53.53 2f6e s GLU 5 Cb -0.08 -3.70 -0.13 0.00 0.10 0.00 0.00 34.13 30.32 2f6e s GLU 5 CO -0.00 -0.71 1.55 -2.30 0.02 0.00 0.00 175.26 173.82 2f6e n PRO 6 N 4.97 2.35 -2.09 0.39 -0.02 -1.26 -4.88 135.00 134.45 2f6e n PRO 6 Ca -0.12 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 2f6e n PRO 6 Cb 0.46 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 2f6e n PRO 6 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2f6e n ASN 7 N 2.73 4.60 -0.07 2.55 4.13 -1.26 -4.77 115.26 123.17 2f6e n ASN 7 Ca 0.13 -3.00 -0.12 0.00 1.68 0.00 0.00 54.58 53.27 2f6e n ASN 7 Cb 0.33 -1.55 0.01 0.00 -1.54 0.00 0.00 39.78 37.03 2f6e n ASN 7 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 2f6e h THR 8 N 3.85 1.28 -2.77 3.41 2.02 -1.91 -3.46 112.91 115.34 2f6e h THR 8 Ca 0.47 -1.62 -0.59 0.00 0.77 0.00 0.00 66.41 65.43 2f6e h THR 8 Cb 0.63 1.50 0.11 0.00 -1.74 0.00 0.00 68.15 68.66 2f6e h THR 8 CO 1.73 0.53 0.26 0.00 0.37 0.00 0.00 175.52 178.41 2f6e n ALA 9 N -2.54 0.29 -1.77 6.16 0.00 -1.26 -4.91 120.51 116.48 2f6e n ALA 9 Ca -0.03 0.38 -0.39 0.00 0.00 0.00 0.00 53.44 53.40 2f6e n ALA 9 Cb 0.56 -2.10 -0.01 0.00 0.00 0.00 0.00 19.45 17.90 2f6e n ALA 9 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2f6e s ILE 10 N -1.08 2.84 0.00 0.00 1.01 -1.26 -4.91 121.20 117.80 2f6e s ILE 10 Ca 0.58 0.72 0.00 0.00 0.00 0.00 0.00 60.65 61.95 2f6e s ILE 10 Cb -0.65 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 38.41 2f6e s ILE 10 CO 0.61 0.08 0.00 0.61 0.00 0.00 0.00 174.94 176.24 2f6e n GLY 11 N 0.65 2.08 3.42 6.18 0.00 -1.26 -4.91 105.19 111.36 2f6e n GLY 11 Ca 0.04 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 2f6e n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f6e n ALA 12 N -1.08 3.95 -3.49 4.61 0.00 -1.26 -4.89 120.51 118.34 2f6e n ALA 12 Ca 0.00 -3.97 -0.12 0.00 0.00 0.00 0.00 53.44 49.35 2f6e n ALA 12 Cb 0.00 -3.44 -0.10 0.00 0.00 0.00 0.00 19.45 15.91 2f6e n ALA 12 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2f6e s ASN 13 N 3.61 -0.47 0.57 0.00 3.84 -1.26 -3.63 114.94 117.61 2f6e s ASN 13 Ca 0.50 0.85 0.00 0.00 0.21 0.00 0.00 52.86 54.42 2f6e s ASN 13 Cb 0.04 0.80 0.00 0.00 -0.55 0.00 0.00 41.25 41.54 2f6e s ASN 13 CO 0.04 -0.17 0.00 0.61 -2.79 0.00 0.00 177.10 174.79 2f6e n GLY 14 N 3.53 0.29 3.66 1.21 0.00 0.15 -4.72 105.19 109.32 2f6e n GLY 14 Ca -0.18 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 2f6e n GLY 14 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2f6e s TYR 15 N 0.00 2.58 -0.01 1.61 5.04 -1.26 -0.48 117.35 124.83 2f6e s TYR 15 Ca 0.00 0.76 0.02 0.00 -2.44 0.00 0.00 57.07 55.41 2f6e s TYR 15 Cb 0.00 -3.63 0.00 0.00 0.35 0.00 0.00 41.96 38.68 2f6e s TYR 15 CO 0.00 -2.34 -0.06 0.15 -1.34 0.00 0.00 175.55 171.96 2f6e s LYS 16 N 3.67 0.57 -0.24 4.97 -0.14 0.21 -4.51 119.74 124.27 2f6e s LYS 16 Ca 0.60 -0.19 -0.13 0.00 -1.36 0.00 0.00 55.97 54.90 2f6e s LYS 16 Cb -0.25 -0.57 -0.04 0.00 -1.68 0.00 0.00 37.83 35.29 2f6e s LYS 16 CO 0.19 0.08 0.26 0.42 -0.76 0.00 0.00 175.35 175.54 2f6e s ILE 17 N 0.12 5.28 -0.11 2.17 1.01 -1.26 -0.75 121.20 127.66 2f6e s ILE 17 Ca -0.01 0.38 -0.01 0.00 0.00 0.00 0.00 60.65 61.01 2f6e s ILE 17 Cb -0.06 -3.60 0.03 0.00 0.01 0.00 0.00 42.46 38.84 2f6e s ILE 17 CO -0.00 0.27 -0.06 -0.63 0.00 0.00 0.00 174.94 174.52 2f6e s ILE 18 N 1.44 0.91 -1.41 2.92 1.01 0.44 -4.84 121.20 121.68 2f6e s ILE 18 Ca 0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.51 2f6e s ILE 18 Cb -0.15 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.38 2f6e s ILE 18 CO 0.08 0.34 0.58 -0.67 0.00 0.00 0.00 174.94 175.27 2f6e n ASP 19 N 4.98 -1.20 -1.18 3.58 2.03 -1.26 -1.30 116.55 122.20 2f6e n ASP 19 Ca -0.11 -0.93 -0.15 0.00 0.52 0.00 0.00 54.79 54.12 2f6e n ASP 19 Cb 0.50 -3.43 -0.07 0.00 -0.72 0.00 0.00 41.12 37.40 2f6e n ASP 19 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2f6e n ASN 20 N -2.97 -5.08 -4.33 1.67 3.02 -1.26 -4.99 115.26 101.32 2f6e n ASN 20 Ca -0.25 0.38 -0.25 0.00 -0.03 0.00 0.00 54.58 54.44 2f6e n ASN 20 Cb 0.66 -3.94 -0.12 0.00 -0.61 0.00 0.00 39.78 35.77 2f6e n ASN 20 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2f6e s LYS 21 N -3.27 1.25 -0.14 3.52 1.02 -0.42 -5.14 119.74 116.56 2f6e s LYS 21 Ca 0.00 -1.29 -0.06 0.00 0.02 0.00 0.00 55.97 54.64 2f6e s LYS 21 Cb 0.00 -1.52 -0.04 0.00 -0.52 0.00 0.00 37.83 35.75 2f6e s LYS 21 CO 0.00 0.34 0.06 -0.80 -0.92 0.00 0.00 175.35 174.03 2f6e s ASN 22 N -2.18 5.68 0.15 2.83 0.01 -1.26 -0.42 114.94 119.74 2f6e s ASN 22 Ca 0.11 0.18 0.04 0.00 -0.71 0.00 0.00 52.86 52.48 2f6e s ASN 22 Cb -0.09 -1.86 -0.04 0.00 0.41 0.00 0.00 41.25 39.67 2f6e s ASN 22 CO 0.06 0.28 -0.10 -0.36 -1.51 0.00 0.00 177.10 175.46 2f6e s PHE 23 N -0.25 1.26 -0.15 2.20 0.08 0.07 -0.79 117.98 120.40 2f6e s PHE 23 Ca 0.08 -0.76 -0.00 0.00 0.12 0.00 0.00 56.93 56.37 2f6e s PHE 23 Cb -0.12 -0.64 0.03 0.00 -0.57 0.00 0.00 43.02 41.72 2f6e s PHE 23 CO 0.01 0.08 -0.09 -0.47 -0.10 0.00 0.00 175.22 174.65 2f6e s TYR 24 N -3.33 1.89 -0.12 0.36 5.04 -1.26 -0.62 117.35 119.31 2f6e s TYR 24 Ca 0.17 -1.10 -0.05 0.00 -2.44 0.00 0.00 57.07 53.65 2f6e s TYR 24 Cb 0.03 -1.43 -0.04 0.00 0.35 0.00 0.00 41.96 40.87 2f6e s TYR 24 CO 0.00 -0.62 0.05 -0.06 -1.34 0.00 0.00 175.55 173.58 2f6e s PHE 25 N 1.58 3.29 -0.01 4.97 0.40 0.37 -0.41 117.98 128.17 2f6e s PHE 25 Ca 0.03 0.22 -0.01 0.00 -0.60 0.00 0.00 56.93 56.57 2f6e s PHE 25 Cb -0.14 -1.91 0.00 0.00 0.51 0.00 0.00 43.02 41.48 2f6e s PHE 25 CO -0.09 0.43 0.03 0.50 0.70 0.00 0.00 175.22 176.79 2f6e s ARG 26 N -0.52 0.06 -1.98 0.44 3.52 -0.08 -0.67 118.95 119.71 2f6e s ARG 26 Ca 0.10 -0.00 0.00 0.00 -0.13 0.00 0.00 55.73 55.70 2f6e s ARG 26 Cb -0.12 0.03 0.00 0.00 -1.56 0.00 0.00 34.95 33.30 2f6e s ARG 26 CO 0.02 -0.01 0.00 0.09 -0.81 0.00 0.00 175.30 174.59 2f6e n ASN 27 N 2.95 -5.76 0.00 -2.12 3.02 -1.26 -1.18 115.26 110.91 2f6e n ASN 27 Ca -0.13 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2f6e n ASN 27 Cb 0.59 -4.91 0.00 0.00 -0.61 0.00 0.00 39.78 34.85 2f6e n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2f6e n GLY 28 N -0.75 0.37 3.24 7.41 0.00 -1.24 -5.02 105.19 109.19 2f6e n GLY 28 Ca -0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 2f6e n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f6e s LEU 29 N 0.00 2.22 0.43 0.99 1.43 -0.32 -4.88 118.68 118.54 2f6e s LEU 29 Ca 0.00 -0.57 -0.25 0.00 -1.03 0.00 0.00 54.13 52.28 2f6e s LEU 29 Cb 0.00 -0.85 -0.08 0.00 0.03 0.00 0.00 46.19 45.29 2f6e s LEU 29 CO 0.00 0.09 1.27 -2.16 0.23 0.00 0.00 176.35 175.77 2f6e s PRO 30 N -1.43 3.87 0.05 1.29 0.04 -1.26 -0.91 135.00 136.65 2f6e s PRO 30 Ca 0.05 2.06 0.08 0.00 0.04 0.00 0.00 61.00 63.23 2f6e s PRO 30 Cb -0.09 -2.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 2f6e s PRO 30 CO 0.02 -0.54 -0.24 -0.65 0.04 0.00 0.00 177.00 175.64 2f6e s GLN 31 N -2.38 1.59 -0.03 4.56 -1.52 0.45 -4.87 119.66 117.47 2f6e s GLN 31 Ca 0.59 -1.05 -0.17 0.00 -1.95 0.00 0.00 55.36 52.78 2f6e s GLN 31 Cb -0.36 -1.76 -0.05 0.00 -0.22 0.00 0.00 33.01 30.62 2f6e s GLN 31 CO 0.45 0.45 0.48 0.42 -0.25 0.00 0.00 175.29 176.84 2f6e s ILE 32 N -0.82 5.02 -4.72 1.08 1.01 -1.26 -4.55 121.20 116.96 2f6e s ILE 32 Ca 0.10 0.99 0.00 0.00 0.00 0.00 0.00 60.65 61.73 2f6e s ILE 32 Cb -0.09 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.57 2f6e s ILE 32 CO 0.02 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.05 2f6e n GLY 33 N 2.35 -2.06 3.29 6.18 0.00 -0.22 -5.01 105.19 109.71 2f6e n GLY 33 Ca -0.10 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.28 2f6e n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f6e s VAL 34 N -2.54 4.01 0.12 1.61 1.01 -1.26 -1.13 120.40 122.22 2f6e s VAL 34 Ca 0.00 -1.15 0.06 0.00 0.00 0.00 0.00 61.98 60.89 2f6e s VAL 34 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2f6e s VAL 34 CO 0.00 -0.26 -0.15 -0.36 0.00 0.00 0.00 175.10 174.33 2f6e s PHE 35 N 1.43 1.44 0.07 5.22 0.08 -1.02 -4.92 117.98 120.27 2f6e s PHE 35 Ca 0.00 -0.54 -0.31 0.00 0.12 0.00 0.00 56.93 56.21 2f6e s PHE 35 Cb -0.20 -0.75 -0.07 0.00 -0.57 0.00 0.00 43.02 41.42 2f6e s PHE 35 CO 0.03 0.16 1.50 0.15 -0.10 0.00 0.00 175.22 176.96 2f6e s LYS 36 N -2.59 4.26 0.51 0.44 1.02 -1.26 -1.08 119.74 121.03 2f6e s LYS 36 Ca 0.09 2.16 0.03 0.00 0.02 0.00 0.00 55.97 58.26 2f6e s LYS 36 Cb -0.05 -3.46 0.03 0.00 -0.52 0.00 0.00 37.83 33.82 2f6e s LYS 36 CO 0.03 -0.60 0.21 0.41 -0.92 0.00 0.00 175.35 174.48 2f6e n GLY 37 N 3.74 3.14 0.34 -3.33 0.00 -0.05 -4.82 105.19 104.21 2f6e n GLY 37 Ca 0.14 -2.33 0.11 0.00 0.00 0.00 0.00 46.02 43.93 2f6e n GLY 37 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2f6e h PRO 38 N 0.00 0.38 0.00 1.61 0.11 -1.96 -2.96 132.00 129.18 2f6e h PRO 38 Ca -0.37 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 2f6e h PRO 38 Cb 1.23 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 2f6e h PRO 38 CO 0.60 0.25 -0.54 0.09 -0.21 0.00 0.00 178.00 178.19 2f6e n ASN 39 N -4.47 1.66 0.00 -2.05 4.13 -1.26 -4.81 115.26 108.45 2f6e n ASN 39 Ca 0.08 -3.71 0.00 0.00 1.68 0.00 0.00 54.58 52.63 2f6e n ASN 39 Cb 0.31 -0.51 0.00 0.00 -1.54 0.00 0.00 39.78 38.04 2f6e n ASN 39 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2f6e n GLY 40 N -0.98 2.98 3.70 7.41 0.00 -1.12 -4.96 105.19 112.22 2f6e n GLY 40 Ca 0.18 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 2f6e n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2f6e s PHE 41 N -2.03 2.67 0.19 1.61 0.08 -1.26 -0.87 117.98 118.36 2f6e s PHE 41 Ca 0.00 0.52 0.06 0.00 0.12 0.00 0.00 56.93 57.63 2f6e s PHE 41 Cb 0.00 -3.87 -0.04 0.00 -0.57 0.00 0.00 43.02 38.54 2f6e s PHE 41 CO 0.00 -3.39 0.09 -1.21 -0.10 0.00 0.00 175.22 170.61 2f6e s GLU 42 N 2.26 2.70 -0.50 0.44 2.02 -0.24 -1.27 118.70 124.11 2f6e s GLU 42 Ca 0.71 -1.02 -0.16 0.00 0.02 0.00 0.00 54.97 54.51 2f6e s GLU 42 Cb -0.38 -2.50 0.08 0.00 0.10 0.00 0.00 34.13 31.43 2f6e s GLU 42 CO 0.31 0.45 0.47 -0.47 0.02 0.00 0.00 175.26 176.04 2f6e s TYR 43 N -1.87 3.20 -0.56 1.61 5.04 -1.26 -2.44 117.35 121.08 2f6e s TYR 43 Ca 0.30 -0.94 -0.24 0.00 -2.44 0.00 0.00 57.07 53.75 2f6e s TYR 43 Cb -0.09 -3.41 0.05 0.00 0.35 0.00 0.00 41.96 38.85 2f6e s TYR 43 CO 0.22 -0.91 0.92 -0.06 -1.34 0.00 0.00 175.55 174.38 2f6e s PHE 44 N 1.85 2.80 0.20 4.97 0.40 -0.28 -1.71 117.98 126.20 2f6e s PHE 44 Ca 0.06 -0.11 0.07 0.00 -0.60 0.00 0.00 56.93 56.35 2f6e s PHE 44 Cb -0.25 -4.06 -0.04 0.00 0.51 0.00 0.00 43.02 39.18 2f6e s PHE 44 CO 0.07 -1.36 0.04 0.00 0.70 0.00 0.00 175.22 174.67 2f6e s ALA 45 N 3.87 3.30 0.54 5.36 0.00 -0.61 -1.06 121.76 133.17 2f6e s ALA 45 Ca 0.28 -1.39 -0.20 0.00 0.00 0.00 0.00 51.96 50.65 2f6e s ALA 45 Cb -0.13 -1.05 -0.07 0.00 0.00 0.00 0.00 23.12 21.86 2f6e s ALA 45 CO 0.18 0.43 0.93 -2.30 0.00 0.00 0.00 175.76 174.99 2f6e n PRO 46 N -0.40 1.00 -1.58 0.00 -0.02 -1.26 -0.65 135.00 132.09 2f6e n PRO 46 Ca -0.09 0.38 -0.39 0.00 -2.02 0.00 0.00 63.50 61.38 2f6e n PRO 46 Cb 0.56 -2.08 0.04 0.00 -0.02 0.00 0.00 33.50 32.00 2f6e n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2f6e n ALA 47 N -1.33 -0.15 -2.40 3.55 0.00 -1.26 -2.89 120.51 116.03 2f6e n ALA 47 Ca 0.12 0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.42 2f6e n ALA 47 Cb 0.45 -2.04 -0.01 0.00 0.00 0.00 0.00 19.45 17.85 2f6e n ALA 47 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2f6e n ASN 48 N -0.21 -5.37 0.11 0.00 5.03 0.24 -4.86 115.26 110.19 2f6e n ASN 48 Ca 0.12 0.05 -0.17 0.00 0.87 0.00 0.00 54.58 55.45 2f6e n ASN 48 Cb 0.46 -4.49 -0.13 0.00 -1.02 0.00 0.00 39.78 34.59 2f6e n ASN 48 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 2f6e h THR 49 N 0.00 1.47 -3.05 3.41 2.02 -1.79 -3.45 112.91 111.52 2f6e h THR 49 Ca -0.44 -2.98 -0.24 0.00 0.77 0.00 0.00 66.41 63.51 2f6e h THR 49 Cb 1.33 2.92 -0.33 0.00 -1.74 0.00 0.00 68.15 70.32 2f6e h THR 49 CO 0.52 0.87 -0.57 -0.62 0.37 0.00 0.00 175.52 176.09 2f6e s ASP 50 N -7.19 0.28 -1.48 4.18 2.15 -1.26 -4.97 116.67 108.38 2f6e s ASP 50 Ca -0.05 0.43 -0.03 0.00 0.43 0.00 0.00 52.55 53.33 2f6e s ASP 50 Cb 0.07 0.39 0.03 0.00 -0.30 0.00 0.00 42.92 43.11 2f6e s ASP 50 CO 0.89 -0.21 0.42 0.00 -0.17 0.00 0.00 175.17 176.10 2f6e n ALA 51 N 4.90 -1.89 -3.23 3.66 0.00 -1.26 -1.86 120.51 120.84 2f6e n ALA 51 Ca -0.13 -0.25 -0.23 0.00 0.00 0.00 0.00 53.44 52.83 2f6e n ALA 51 Cb 0.51 -1.71 0.02 0.00 0.00 0.00 0.00 19.45 18.26 2f6e n ALA 51 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2f6e n ASN 52 N -2.92 -4.98 -4.66 0.00 3.02 -1.26 -4.98 115.26 99.48 2f6e n ASN 52 Ca -0.25 -0.36 -0.34 0.00 -0.03 0.00 0.00 54.58 53.60 2f6e n ASN 52 Cb 0.66 -4.05 0.12 0.00 -0.61 0.00 0.00 39.78 35.89 2f6e n ASN 52 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2f6e n ASN 53 N -2.45 0.77 -4.94 6.41 6.94 -0.77 -4.63 115.26 116.58 2f6e n ASN 53 Ca -0.06 0.60 -0.24 0.00 -0.02 0.00 0.00 54.58 54.86 2f6e n ASN 53 Cb 0.58 -1.47 0.04 0.00 -2.36 0.00 0.00 39.78 36.57 2f6e n ASN 53 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 2f6e s ILE 54 N -2.03 2.99 0.10 1.53 -4.36 -1.26 -0.59 121.20 117.58 2f6e s ILE 54 Ca 0.73 -0.35 -0.32 0.00 -0.26 0.00 0.00 60.65 60.45 2f6e s ILE 54 Cb -0.30 -3.18 -0.11 0.00 1.25 0.00 0.00 42.46 40.11 2f6e s ILE 54 CO 0.51 -0.17 1.82 -0.62 0.24 0.00 0.00 174.94 176.72 2f6e n GLU 55 N -2.54 2.65 -0.18 0.37 -0.58 -1.26 -2.10 120.64 117.00 2f6e n GLU 55 Ca 0.06 0.97 0.00 0.00 -0.42 0.00 0.00 57.16 57.77 2f6e n GLU 55 Cb 0.59 -2.84 0.00 0.00 -0.57 0.00 0.00 31.44 28.62 2f6e n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2f6e n GLY 56 N 4.16 1.21 3.73 0.62 0.00 0.17 -4.91 105.19 110.17 2f6e n GLY 56 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2f6e n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2f6e s GLN 57 N -0.51 4.51 0.26 1.61 0.74 -0.89 -4.33 119.66 121.05 2f6e s GLN 57 Ca 0.00 1.80 -0.30 0.00 0.05 0.00 0.00 55.36 56.91 2f6e s GLN 57 Cb 0.00 -3.28 -0.10 0.00 1.10 0.00 0.00 33.01 30.73 2f6e s GLN 57 CO 0.00 -0.08 1.34 0.00 -0.55 0.00 0.00 175.29 176.00 2f6e s ALA 58 N 0.18 3.55 0.24 1.58 0.00 0.03 -1.57 121.76 125.77 2f6e s ALA 58 Ca 0.53 1.22 0.10 0.00 0.00 0.00 0.00 51.96 53.82 2f6e s ALA 58 Cb -0.31 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.27 2f6e s ALA 58 CO 0.34 -0.62 -0.19 0.96 0.00 0.00 0.00 175.76 176.25 2f6e s ILE 59 N -0.37 2.20 0.17 0.00 -4.36 -0.69 -4.70 121.20 113.44 2f6e s ILE 59 Ca 0.55 -2.28 -0.32 0.00 -0.26 0.00 0.00 60.65 58.35 2f6e s ILE 59 Cb -0.39 -2.17 -0.10 0.00 1.25 0.00 0.00 42.46 41.05 2f6e s ILE 59 CO 0.45 -0.42 1.60 -0.13 0.24 0.00 0.00 174.94 176.68 2f6e s ARG 60 N -3.41 4.20 -0.37 0.37 0.52 -1.26 -4.64 118.95 114.36 2f6e s ARG 60 Ca 0.26 2.40 0.06 0.00 -0.52 0.00 0.00 55.73 57.94 2f6e s ARG 60 Cb -0.04 -3.17 0.19 0.00 0.52 0.00 0.00 34.95 32.44 2f6e s ARG 60 CO 0.11 -0.64 0.64 -0.47 0.02 0.00 0.00 175.30 174.96 2f6e s TYR 61 N 1.26 -1.70 -0.17 -0.53 5.04 -1.26 -4.83 117.35 115.16 2f6e s TYR 61 Ca 0.71 0.50 -0.02 0.00 -2.44 0.00 0.00 57.07 55.82 2f6e s TYR 61 Cb -0.45 0.31 -0.01 0.00 0.35 0.00 0.00 41.96 42.16 2f6e s TYR 61 CO 0.31 -1.10 -0.09 -0.65 -1.34 0.00 0.00 175.55 172.68 2f6e s GLN 62 N 2.16 3.37 -1.30 4.97 -0.21 -1.26 -4.10 119.66 123.29 2f6e s GLN 62 Ca 0.14 -0.66 -0.03 0.00 0.02 0.00 0.00 55.36 54.83 2f6e s GLN 62 Cb -0.05 -2.80 -0.00 0.00 1.00 0.00 0.00 33.01 31.15 2f6e s GLN 62 CO -0.13 0.01 0.64 0.09 -2.12 0.00 0.00 175.29 173.78 2f6e n ASN 63 N 4.14 -1.73 -3.96 5.90 4.13 0.37 -4.92 115.26 119.19 2f6e n ASN 63 Ca -0.18 -0.90 -0.12 0.00 1.68 0.00 0.00 54.58 55.06 2f6e n ASN 63 Cb 0.52 -3.73 -0.13 0.00 -1.54 0.00 0.00 39.78 34.91 2f6e n ASN 63 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2f6e s ARG 64 N -6.07 0.29 0.58 3.52 0.52 -1.03 -4.96 118.95 111.80 2f6e s ARG 64 Ca 0.09 -0.40 -0.16 0.00 -0.52 0.00 0.00 55.73 54.74 2f6e s ARG 64 Cb -0.03 -0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.30 2f6e s ARG 64 CO 0.84 0.01 1.05 -0.06 0.02 0.00 0.00 175.30 177.16 2f6e s PHE 65 N -0.80 3.01 -0.05 -0.53 0.08 -1.26 -0.94 117.98 117.49 2f6e s PHE 65 Ca -0.07 1.51 0.01 0.00 0.12 0.00 0.00 56.93 58.50 2f6e s PHE 65 Cb -0.06 -3.00 0.02 0.00 -0.57 0.00 0.00 43.02 39.41 2f6e s PHE 65 CO -0.00 -1.06 -0.06 -1.17 -0.10 0.00 0.00 175.22 172.83 2f6e s LEU 66 N -4.40 1.33 -0.23 -0.37 2.96 0.15 -4.93 118.68 113.19 2f6e s LEU 66 Ca 0.64 -0.16 -0.07 0.00 -0.22 0.00 0.00 54.13 54.31 2f6e s LEU 66 Cb -0.16 -0.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 2f6e s LEU 66 CO 0.35 -0.05 0.07 -1.00 -1.32 0.00 0.00 176.35 174.40 2f6e s HIS 67 N 0.98 3.12 -0.15 5.38 3.76 -1.26 -0.64 115.29 126.48 2f6e s HIS 67 Ca -0.10 -0.27 -0.05 0.00 -0.15 0.00 0.00 55.06 54.49 2f6e s HIS 67 Cb -0.14 -2.19 0.08 0.00 1.11 0.00 0.00 32.58 31.43 2f6e s HIS 67 CO -0.00 -0.21 0.29 -1.17 -0.85 0.00 0.00 174.74 172.80 2f6e s LEU 68 N 1.25 -0.35 -1.36 0.89 2.96 -0.47 -4.90 118.68 116.71 2f6e s LEU 68 Ca 0.05 0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 54.44 2f6e s LEU 68 Cb -0.15 0.78 0.03 0.00 0.50 0.00 0.00 46.19 47.35 2f6e s LEU 68 CO 0.03 -0.25 0.36 0.18 -1.32 0.00 0.00 176.35 175.36 2f6e n LEU 69 N 5.35 -1.84 0.00 -0.68 4.77 -1.26 -1.56 117.00 121.79 2f6e n LEU 69 Ca -0.06 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 2f6e n LEU 69 Cb 0.50 -2.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.12 2f6e n LEU 69 CO 0.03 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 2f6e n GLY 70 N -1.18 0.76 3.79 -0.72 0.00 -1.26 -5.05 105.19 101.54 2f6e n GLY 70 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 2f6e n GLY 70 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2f6e s ASN 71 N -2.96 5.50 -0.08 1.61 0.01 -0.60 -5.12 114.94 113.31 2f6e s ASN 71 Ca 0.00 -0.13 0.05 0.00 -0.71 0.00 0.00 52.86 52.06 2f6e s ASN 71 Cb 0.00 -1.43 -0.00 0.00 0.41 0.00 0.00 41.25 40.22 2f6e s ASN 71 CO 0.00 0.07 -0.24 -0.63 -1.51 0.00 0.00 177.10 174.79 2f6e s ILE 72 N -1.74 2.10 0.17 0.60 1.01 -1.26 -1.36 121.20 120.71 2f6e s ILE 72 Ca 0.31 -1.03 0.04 0.00 0.00 0.00 0.00 60.65 59.98 2f6e s ILE 72 Cb -0.10 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 2f6e s ILE 72 CO 0.23 0.56 -0.07 -0.31 0.00 0.00 0.00 174.94 175.35 2f6e s TYR 73 N 0.13 1.36 -0.02 3.97 1.51 0.19 -0.30 117.35 124.19 2f6e s TYR 73 Ca -0.12 -0.80 0.02 0.00 -1.01 0.00 0.00 57.07 55.15 2f6e s TYR 73 Cb -0.16 -0.72 0.01 0.00 -0.11 0.00 0.00 41.96 40.98 2f6e s TYR 73 CO 0.07 0.05 -0.05 -0.47 -1.11 0.00 0.00 175.55 174.04 2f6e s TYR 74 N -3.35 0.62 -0.14 2.71 5.04 -1.26 -0.67 117.35 120.30 2f6e s TYR 74 Ca 0.20 -0.14 -0.02 0.00 -2.44 0.00 0.00 57.07 54.68 2f6e s TYR 74 Cb 0.03 -0.48 -0.02 0.00 0.35 0.00 0.00 41.96 41.84 2f6e s TYR 74 CO 0.03 -0.08 -0.08 -0.06 -1.34 0.00 0.00 175.55 174.02 2f6e s PHE 75 N 0.31 2.93 0.43 4.97 0.40 -0.11 -0.51 117.98 126.40 2f6e s PHE 75 Ca -0.04 -0.40 -0.07 0.00 -0.60 0.00 0.00 56.93 55.82 2f6e s PHE 75 Cb -0.08 -1.89 0.10 0.00 0.51 0.00 0.00 43.02 41.67 2f6e s PHE 75 CO -0.00 -0.07 0.51 0.41 0.70 0.00 0.00 175.22 176.77 2f6e n GLY 76 N 3.40 -1.74 0.30 4.36 0.00 -0.71 -0.48 105.19 110.32 2f6e n GLY 76 Ca -0.18 -1.61 0.19 0.00 0.00 0.00 0.00 46.02 44.42 2f6e n GLY 76 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2f6e h ASN 77 N -1.07 0.00 -0.03 1.61 -0.73 -1.89 -1.79 115.58 111.68 2f6e h ASN 77 Ca -0.17 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.00 2f6e h ASN 77 Cb 0.49 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.08 2f6e h ASN 77 CO 0.12 0.02 0.00 -0.46 -0.37 0.00 0.00 177.43 176.74 2f6e n ASN 78 N -3.21 0.24 -2.34 1.15 6.94 -1.26 -4.85 115.26 111.92 2f6e n ASN 78 Ca -0.01 -1.61 -0.19 0.00 -0.02 0.00 0.00 54.58 52.75 2f6e n ASN 78 Cb 0.19 -0.02 -0.01 0.00 -2.36 0.00 0.00 39.78 37.58 2f6e n ASN 78 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2f6e n SER 79 N -0.56 -5.35 -4.42 0.53 7.64 -0.69 -4.98 113.62 105.78 2f6e n SER 79 Ca 0.11 0.07 -0.31 0.00 1.01 0.00 0.00 58.87 59.75 2f6e n SER 79 Cb 0.08 -4.50 -0.13 0.00 -1.01 0.00 0.00 64.21 58.65 2f6e n SER 79 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2f6e s LYS 80 N -4.93 2.11 0.15 1.43 -0.14 -1.26 -4.44 119.74 112.66 2f6e s LYS 80 Ca 0.00 -0.94 -0.31 0.00 -1.36 0.00 0.00 55.97 53.36 2f6e s LYS 80 Cb 0.00 -2.17 -0.08 0.00 -1.68 0.00 0.00 37.83 33.90 2f6e s LYS 80 CO 0.00 0.55 1.38 0.00 -0.76 0.00 0.00 175.35 176.52 2f6e s ALA 81 N -0.83 3.58 0.61 5.17 0.00 -0.40 -1.74 121.76 128.15 2f6e s ALA 81 Ca 0.13 1.14 -0.15 0.00 0.00 0.00 0.00 51.96 53.08 2f6e s ALA 81 Cb -0.10 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 2f6e s ALA 81 CO 0.03 -0.61 1.05 0.14 0.00 0.00 0.00 175.76 176.38 2f6e s VAL 82 N 0.73 3.88 0.17 0.00 -7.23 0.33 -4.57 120.40 113.71 2f6e s VAL 82 Ca 0.62 0.84 0.05 0.00 -1.81 0.00 0.00 61.98 61.68 2f6e s VAL 82 Cb -0.37 -3.40 -0.05 0.00 0.56 0.00 0.00 36.38 33.12 2f6e s VAL 82 CO 0.34 -0.58 -0.11 0.42 -0.31 0.00 0.00 175.10 174.86 2f6e s THR 83 N -2.58 1.35 0.00 5.32 -4.23 -1.26 -4.79 115.64 109.46 2f6e s THR 83 Ca 0.62 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 2f6e s THR 83 Cb -0.15 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.74 2f6e s THR 83 CO 0.40 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 2f6e n GLY 84 N -0.27 -1.04 3.73 3.99 0.00 0.11 -4.79 105.19 106.91 2f6e n GLY 84 Ca -0.09 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 2f6e n GLY 84 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2f6e s TRP 85 N 0.00 3.18 -0.03 1.61 0.52 -1.26 -1.27 118.94 121.68 2f6e s TRP 85 Ca 0.00 1.00 -0.04 0.00 0.02 0.00 0.00 56.10 57.08 2f6e s TRP 85 Cb 0.00 -3.72 0.01 0.00 -1.15 0.00 0.00 33.47 28.61 2f6e s TRP 85 CO 0.00 -2.43 0.11 -0.65 0.02 0.00 0.00 176.95 173.99 2f6e s GLN 86 N 0.43 0.21 -0.22 4.98 -1.52 -0.32 -4.98 119.66 118.25 2f6e s GLN 86 Ca 0.62 -0.01 -0.04 0.00 -1.95 0.00 0.00 55.36 53.98 2f6e s GLN 86 Cb -0.39 0.09 -0.01 0.00 -0.22 0.00 0.00 33.01 32.49 2f6e s GLN 86 CO 0.35 -0.04 -0.04 0.99 -0.25 0.00 0.00 175.29 176.31 2f6e s THR 87 N -0.33 3.43 -0.08 -0.19 2.01 -1.26 -0.36 115.64 118.86 2f6e s THR 87 Ca -0.04 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.49 2f6e s THR 87 Cb -0.03 -2.56 0.02 0.00 0.01 0.00 0.00 72.50 69.95 2f6e s THR 87 CO 0.00 0.42 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.66 2f6e s ILE 88 N 1.41 0.81 -1.66 1.82 1.01 0.37 -4.73 121.20 120.23 2f6e s ILE 88 Ca 0.05 -0.21 -0.16 0.00 0.00 0.00 0.00 60.65 60.32 2f6e s ILE 88 Cb -0.14 -0.84 0.14 0.00 0.01 0.00 0.00 42.46 41.63 2f6e s ILE 88 CO -0.02 0.31 0.77 0.59 0.00 0.00 0.00 174.94 176.59 2f6e n ASN 89 N 4.54 -3.19 0.00 3.58 3.02 -1.26 -1.44 115.26 120.51 2f6e n ASN 89 Ca -0.16 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 2f6e n ASN 89 Cb 0.51 -2.91 0.00 0.00 -0.61 0.00 0.00 39.78 36.76 2f6e n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2f6e n GLY 90 N -1.49 1.33 3.88 7.41 0.00 -1.26 -5.01 105.19 110.05 2f6e n GLY 90 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2f6e n GLY 90 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2f6e s ASN 91 N -3.09 6.44 0.01 1.61 0.01 -0.52 -5.08 114.94 114.31 2f6e s ASN 91 Ca 0.00 0.50 -0.13 0.00 -0.71 0.00 0.00 52.86 52.53 2f6e s ASN 91 Cb 0.00 -2.08 -0.06 0.00 0.41 0.00 0.00 41.25 39.53 2f6e s ASN 91 CO 0.00 0.36 0.38 -0.04 -1.51 0.00 0.00 177.10 176.29 2f6e s MET 92 N -1.27 3.83 0.10 -0.60 -1.94 -1.26 -0.48 119.30 117.68 2f6e s MET 92 Ca 0.19 0.30 0.03 0.00 -1.71 0.00 0.00 55.69 54.50 2f6e s MET 92 Cb -0.13 -3.16 -0.04 0.00 2.01 0.00 0.00 34.83 33.52 2f6e s MET 92 CO 0.09 0.67 -0.09 0.71 -0.01 0.00 0.00 175.02 176.38 2f6e s TYR 93 N -1.16 1.05 -0.18 -0.03 1.51 0.51 -0.41 117.35 118.64 2f6e s TYR 93 Ca 0.25 -0.72 0.00 0.00 -1.01 0.00 0.00 57.07 55.60 2f6e s TYR 93 Cb -0.16 -0.57 0.04 0.00 -0.11 0.00 0.00 41.96 41.16 2f6e s TYR 93 CO 0.14 -0.02 -0.08 -0.47 -1.11 0.00 0.00 175.55 174.01 2f6e s TYR 94 N -2.78 2.05 -0.39 2.71 5.04 -1.26 -1.17 117.35 121.55 2f6e s TYR 94 Ca 0.08 -1.32 -0.16 0.00 -2.44 0.00 0.00 57.07 53.24 2f6e s TYR 94 Cb -0.01 -1.48 0.01 0.00 0.35 0.00 0.00 41.96 40.83 2f6e s TYR 94 CO -0.01 -0.68 0.37 -0.06 -1.34 0.00 0.00 175.55 173.83 2f6e s PHE 95 N 1.52 3.20 -0.19 4.97 0.08 -0.40 -0.67 117.98 126.48 2f6e s PHE 95 Ca 0.00 -0.29 -0.35 0.00 0.12 0.00 0.00 56.93 56.41 2f6e s PHE 95 Cb -0.15 -2.73 -0.12 0.00 -0.57 0.00 0.00 43.02 39.45 2f6e s PHE 95 CO -0.08 -0.56 1.96 -1.33 -0.10 0.00 0.00 175.22 175.10 2f6e n MET 96 N 5.40 1.74 0.29 0.44 2.81 0.28 0.05 117.12 128.14 2f6e n MET 96 Ca -0.09 0.60 0.17 0.00 -1.81 0.00 0.00 57.70 56.57 2f6e n MET 96 Cb 0.48 -2.56 0.91 0.00 -0.71 0.00 0.00 33.22 31.34 2f6e n MET 96 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 2f6e h PRO 97 N 10.08 0.00 0.00 0.03 0.11 -1.94 0.69 132.00 140.97 2f6e h PRO 97 Ca -0.43 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.59 2f6e h PRO 97 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 2f6e h PRO 97 CO 0.97 0.04 -0.44 0.38 -0.21 0.00 0.00 178.00 178.75 2f6e h ASP 98 N 0.00 0.00 0.00 -2.05 2.03 -1.97 -3.36 116.42 111.06 2f6e h ASP 98 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2f6e h ASP 98 Cb 0.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.67 2f6e h ASP 98 CO 0.01 0.44 -0.31 0.35 -1.03 0.00 0.00 179.24 178.69 2f6e n THR 99 N -3.45 0.00 -1.09 1.15 -2.24 -0.99 -5.01 114.28 102.65 2f6e n THR 99 Ca 0.00 -0.18 -0.03 0.00 -2.27 0.00 0.00 64.05 61.57 2f6e n THR 99 Cb 0.58 0.69 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 2f6e n THR 99 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f6e n ALA 100 N -0.82 -0.05 -2.06 6.98 0.00 0.24 -4.98 120.51 119.82 2f6e n ALA 100 Ca 0.00 0.05 -0.40 0.00 0.00 0.00 0.00 53.44 53.09 2f6e n ALA 100 Cb 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 2f6e n ALA 100 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2f6e s MET 101 N -1.68 4.70 0.27 0.00 -1.94 -1.23 -4.57 119.30 114.83 2f6e s MET 101 Ca 0.00 1.35 -0.30 0.00 -1.71 0.00 0.00 55.69 55.03 2f6e s MET 101 Cb 0.00 -3.32 -0.10 0.00 2.01 0.00 0.00 34.83 33.42 2f6e s MET 101 CO 0.00 0.39 1.44 0.00 -0.01 0.00 0.00 175.02 176.84 2f6e s ALA 102 N -0.61 3.62 0.13 3.03 0.00 0.60 -0.55 121.76 127.96 2f6e s ALA 102 Ca 0.42 1.35 -0.31 0.00 0.00 0.00 0.00 51.96 53.42 2f6e s ALA 102 Cb -0.24 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.23 2f6e s ALA 102 CO 0.29 -0.77 1.72 0.00 0.00 0.00 0.00 175.76 177.00 2f6e s ALA 103 N -0.19 3.77 -0.15 0.00 0.00 0.15 -4.77 121.76 120.57 2f6e s ALA 103 Ca 0.58 1.39 -0.22 0.00 0.00 0.00 0.00 51.96 53.71 2f6e s ALA 103 Cb -0.42 -3.71 0.05 0.00 0.00 0.00 0.00 23.12 19.04 2f6e s ALA 103 CO 0.46 -1.08 0.56 0.00 0.00 0.00 0.00 175.76 175.70 2f6e s ALA 104 N 2.23 -1.40 -1.10 0.00 0.00 -1.26 -4.39 121.76 115.83 2f6e s ALA 104 Ca 0.76 1.37 -0.02 0.00 0.00 0.00 0.00 51.96 54.07 2f6e s ALA 104 Cb -0.44 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.08 2f6e s ALA 104 CO 0.34 -0.29 0.93 0.41 0.00 0.00 0.00 175.76 177.15 2f6e n GLY 105 N 2.16 -0.30 0.00 0.00 0.00 -0.09 -4.88 105.19 102.09 2f6e n GLY 105 Ca -0.16 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2f6e n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f6e n GLY 106 N -1.32 -0.39 3.76 -0.02 0.00 -0.81 -4.96 105.19 101.44 2f6e n GLY 106 Ca -0.18 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 2f6e n GLY 106 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f6e s LEU 107 N 0.00 4.40 -0.02 0.99 1.43 -1.26 -1.05 118.68 123.18 2f6e s LEU 107 Ca 0.00 1.15 0.04 0.00 -1.03 0.00 0.00 54.13 54.29 2f6e s LEU 107 Cb 0.00 -2.93 -0.01 0.00 0.03 0.00 0.00 46.19 43.28 2f6e s LEU 107 CO 0.00 0.07 -0.14 -0.36 0.23 0.00 0.00 176.35 176.16 2f6e s PHE 108 N -0.06 1.27 -0.43 0.29 0.40 -0.23 -4.97 117.98 114.25 2f6e s PHE 108 Ca 0.32 -0.26 -0.14 0.00 -0.60 0.00 0.00 56.93 56.24 2f6e s PHE 108 Cb -0.18 -0.83 0.05 0.00 0.51 0.00 0.00 43.02 42.57 2f6e s PHE 108 CO 0.17 -0.05 0.32 -2.00 0.70 0.00 0.00 175.22 174.37 2f6e s GLU 109 N -0.23 2.91 -0.25 0.44 2.12 -1.26 -1.10 118.70 121.33 2f6e s GLU 109 Ca 0.03 -1.22 -0.05 0.00 0.36 0.00 0.00 54.97 54.10 2f6e s GLU 109 Cb -0.06 -3.99 -0.00 0.00 0.26 0.00 0.00 34.13 30.34 2f6e s GLU 109 CO -0.00 -0.88 0.00 0.42 -0.54 0.00 0.00 175.26 174.26 2f6e s ILE 110 N 1.62 3.59 -1.44 -3.70 1.01 0.10 -4.57 121.20 117.80 2f6e s ILE 110 Ca 0.04 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 60.06 2f6e s ILE 110 Cb -0.22 -2.73 0.04 0.00 0.01 0.00 0.00 42.46 39.56 2f6e s ILE 110 CO 0.07 0.29 0.64 0.47 0.00 0.00 0.00 174.94 176.41 2f6e n ASP 111 N 4.81 -1.72 0.00 3.58 8.00 -1.26 -1.84 116.55 128.13 2f6e n ASP 111 Ca -0.17 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.42 2f6e n ASP 111 Cb 0.50 -3.44 0.00 0.00 -0.02 0.00 0.00 41.12 38.16 2f6e n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2f6e n GLY 112 N -1.74 0.50 3.16 0.44 0.00 -1.26 -5.02 105.19 101.25 2f6e n GLY 112 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 2f6e n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f6e s VAL 113 N -2.09 1.71 -0.09 1.61 1.01 -0.76 -5.10 120.40 116.68 2f6e s VAL 113 Ca 0.00 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.91 2f6e s VAL 113 Cb 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 2f6e s VAL 113 CO 0.00 0.48 0.74 -0.63 0.00 0.00 0.00 175.10 175.69 2f6e s ILE 114 N 0.35 5.00 0.14 2.22 1.01 -1.26 -0.72 121.20 127.93 2f6e s ILE 114 Ca -0.14 1.51 0.08 0.00 0.00 0.00 0.00 60.65 62.09 2f6e s ILE 114 Cb -0.16 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2f6e s ILE 114 CO 0.06 0.19 -0.18 -0.31 0.00 0.00 0.00 174.94 174.70 2f6e s TYR 115 N 1.19 1.71 -0.15 3.97 2.02 -0.26 -4.97 117.35 120.87 2f6e s TYR 115 Ca 0.38 -0.47 -0.09 0.00 -0.37 0.00 0.00 57.07 56.52 2f6e s TYR 115 Cb -0.18 -0.89 -0.05 0.00 -0.40 0.00 0.00 41.96 40.45 2f6e s TYR 115 CO 0.17 0.25 0.17 0.12 -1.57 0.00 0.00 175.55 174.69 2f6e s PHE 116 N -1.78 3.52 -0.12 2.71 5.36 -1.26 -1.07 117.98 125.34 2f6e s PHE 116 Ca 0.11 0.49 0.02 0.00 -0.96 0.00 0.00 56.93 56.60 2f6e s PHE 116 Cb -0.07 -2.09 -0.00 0.00 -0.34 0.00 0.00 43.02 40.51 2f6e s PHE 116 CO 0.05 0.50 -0.20 -0.06 -1.46 0.00 0.00 175.22 174.06 2f6e s PHE 117 N -0.33 2.67 1.02 10.12 0.40 -0.21 -0.89 117.98 130.74 2f6e s PHE 117 Ca 0.13 -0.97 -0.12 0.00 -0.60 0.00 0.00 56.93 55.36 2f6e s PHE 117 Cb -0.12 -1.78 0.20 0.00 0.51 0.00 0.00 43.02 41.83 2f6e s PHE 117 CO 0.02 -0.39 1.08 0.20 0.70 0.00 0.00 175.22 176.83 2f6e s GLY 118 N 0.46 1.57 0.63 4.36 0.00 -0.60 -0.91 107.32 112.82 2f6e s GLY 118 Ca -0.14 -0.27 0.41 0.00 0.00 0.00 0.00 44.72 44.72 2f6e s GLY 118 CO 0.06 0.34 2.25 -0.39 0.00 0.00 0.00 173.10 175.35 2f6e h VAL 119 N -1.98 0.02 -0.01 1.40 -1.51 -1.90 0.18 116.25 112.45 2f6e h VAL 119 Ca -0.55 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 2f6e h VAL 119 Cb 1.32 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 2f6e h VAL 119 CO 0.56 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.00 2f6e n ASP 120 N -3.11 0.82 0.00 4.19 5.75 -1.26 -4.63 116.55 118.31 2f6e n ASP 120 Ca -0.02 -1.28 0.00 0.00 -0.01 0.00 0.00 54.79 53.48 2f6e n ASP 120 Cb 0.15 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 2f6e n ASP 120 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2f6e n GLY 121 N 1.09 0.90 3.69 6.12 0.00 0.56 -5.03 105.19 112.52 2f6e n GLY 121 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2f6e n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f6e s VAL 122 N -3.32 4.49 0.06 1.61 1.01 -1.26 -4.48 120.40 118.51 2f6e s VAL 122 Ca 0.00 1.79 -0.31 0.00 0.00 0.00 0.00 61.98 63.46 2f6e s VAL 122 Cb 0.00 -4.15 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 2f6e s VAL 122 CO 0.00 0.04 1.56 -0.75 0.00 0.00 0.00 175.10 175.95 2f6e s LYS 123 N 1.79 4.23 0.14 2.72 2.20 0.45 -1.56 119.74 129.72 2f6e s LYS 123 Ca 0.53 2.21 -0.31 0.00 -0.36 0.00 0.00 55.97 58.04 2f6e s LYS 123 Cb -0.23 -3.53 -0.10 0.00 -1.51 0.00 0.00 37.83 32.46 2f6e s LYS 123 CO 0.23 -0.66 1.65 0.00 -0.36 0.00 0.00 175.35 176.21 2f6e s ALA 124 N 2.35 3.77 0.57 3.13 0.00 -0.07 -4.67 121.76 126.85 2f6e s ALA 124 Ca 0.70 1.37 -0.20 0.00 0.00 0.00 0.00 51.96 53.83 2f6e s ALA 124 Cb -0.37 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.03 2f6e s ALA 124 CO 0.30 -0.95 1.27 -2.14 0.00 0.00 0.00 175.76 174.24 2f6e s PRO 125 N 1.79 3.03 0.00 0.00 0.02 -1.26 -4.76 135.00 133.82 2f6e s PRO 125 Ca 0.73 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.75 2f6e s PRO 125 Cb -0.44 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.02 2f6e s PRO 125 CO 0.32 -1.21 0.00 0.41 -0.33 0.00 0.00 177.00 176.19