#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qst s LYS 1 N 0.00 4.55 0.17 0.00 2.20 -1.26 -4.88 119.74 120.52 2qst s LYS 1 Ca 0.00 1.60 -0.32 0.00 -0.36 0.00 0.00 55.97 56.89 2qst s LYS 1 Cb 0.00 -3.37 -0.11 0.00 -1.51 0.00 0.00 37.83 32.84 2qst s LYS 1 CO 0.00 -0.05 1.62 -1.17 -0.36 0.00 0.00 175.35 175.40 2qst s LEU 2 N 0.57 4.37 -0.05 5.43 2.96 -1.25 -4.64 118.68 126.07 2qst s LEU 2 Ca 0.53 2.69 -0.07 0.00 -0.22 0.00 0.00 54.13 57.06 2qst s LEU 2 Cb -0.26 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 42.85 2qst s LEU 2 CO 0.30 -0.87 0.17 -0.89 -1.32 0.00 0.00 176.35 173.74 2qst s THR 3 N 1.25 0.02 -0.20 3.68 2.01 -0.85 -4.85 115.64 116.70 2qst s THR 3 Ca 0.72 -0.17 -0.05 0.00 0.31 0.00 0.00 61.69 62.50 2qst s THR 3 Cb -0.45 -0.30 -0.02 0.00 0.01 0.00 0.00 72.50 71.73 2qst s THR 3 CO 0.32 -0.09 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.52 2qst s ILE 4 N -0.27 3.95 -0.17 1.82 1.01 -1.26 -0.20 121.20 126.08 2qst s ILE 4 Ca -0.04 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.30 2qst s ILE 4 Cb -0.03 -2.78 0.01 0.00 0.01 0.00 0.00 42.46 39.67 2qst s ILE 4 CO 0.01 0.43 -0.17 -1.83 0.00 0.00 0.00 174.94 173.38 2qst s GLU 5 N 0.94 3.13 0.44 2.79 -1.05 0.67 -4.68 118.70 120.94 2qst s GLU 5 Ca 0.01 -0.78 -0.18 0.00 -0.15 0.00 0.00 54.97 53.87 2qst s GLU 5 Cb -0.14 -2.61 -0.10 0.00 -0.44 0.00 0.00 34.13 30.84 2qst s GLU 5 CO 0.02 -0.08 0.93 -1.54 0.95 0.00 0.00 175.26 175.54 2qst s SER 6 N 1.02 6.81 -0.28 0.83 1.04 -1.26 -0.51 113.70 121.34 2qst s SER 6 Ca -0.02 1.58 0.00 0.00 0.48 0.00 0.00 55.95 58.00 2qst s SER 6 Cb -0.15 -2.50 0.17 0.00 0.10 0.00 0.00 66.02 63.65 2qst s SER 6 CO -0.04 -0.41 0.51 0.28 0.98 0.00 0.00 173.24 174.56 2qst s THR 7 N -2.30 -0.85 0.67 2.02 -1.32 -0.06 -3.73 115.64 110.08 2qst s THR 7 Ca 0.60 -0.06 -0.13 0.00 -1.21 0.00 0.00 61.69 60.89 2qst s THR 7 Cb -0.09 -0.95 0.00 0.00 -1.51 0.00 0.00 72.50 69.94 2qst s THR 7 CO 0.20 -0.07 1.07 -2.16 -2.21 0.00 0.00 174.62 171.45 2qst s PRO 8 N 2.73 2.94 0.40 7.08 0.04 -1.26 -2.41 135.00 144.52 2qst s PRO 8 Ca 0.15 1.12 0.16 0.00 0.04 0.00 0.00 61.00 62.47 2qst s PRO 8 Cb -0.14 -1.99 0.84 0.00 0.04 0.00 0.00 34.50 33.26 2qst s PRO 8 CO -0.22 -1.11 1.86 0.35 0.04 0.00 0.00 177.00 177.92 2qst h PHE 9 N -0.32 0.00 -3.80 0.56 3.57 -1.93 -3.39 116.94 111.64 2qst h PHE 9 Ca -0.45 0.00 -0.67 0.00 3.53 0.00 0.00 57.97 60.38 2qst h PHE 9 Cb 1.22 0.00 -0.37 0.00 2.79 0.00 0.00 35.95 39.59 2qst h PHE 9 CO 0.59 0.33 -0.76 -0.80 -2.23 0.00 0.00 178.31 175.44 2qst s ASN 10 N -6.71 4.62 -0.21 0.41 -0.87 -1.26 -0.88 114.94 110.04 2qst s ASN 10 Ca -0.02 -1.56 -0.09 0.00 -1.57 0.00 0.00 52.86 49.61 2qst s ASN 10 Cb 0.14 -1.60 -0.05 0.00 -0.02 0.00 0.00 41.25 39.72 2qst s ASN 10 CO 0.69 -0.26 0.11 -0.69 -2.57 0.00 0.00 177.10 174.39 2qst s VAL 11 N 1.08 5.11 0.38 1.60 1.01 0.05 -5.00 120.40 124.63 2qst s VAL 11 Ca -0.03 0.09 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 2qst s VAL 11 Cb -0.20 -3.34 -0.09 0.00 0.00 0.00 0.00 36.38 32.75 2qst s VAL 11 CO -0.05 0.41 1.17 0.00 0.00 0.00 0.00 175.10 176.63 2qst s ALA 12 N 0.69 3.22 -0.03 5.51 0.00 -1.26 -2.15 121.76 127.73 2qst s ALA 12 Ca 0.06 0.97 -0.39 0.00 0.00 0.00 0.00 51.96 52.60 2qst s ALA 12 Cb -0.13 -3.38 -0.18 0.00 0.00 0.00 0.00 23.12 19.43 2qst s ALA 12 CO 0.01 -0.47 1.30 0.39 0.00 0.00 0.00 175.76 176.99 2qst n GLU 13 N 0.30 0.60 0.00 0.00 1.02 -0.55 -2.16 120.64 119.85 2qst n GLU 13 Ca 0.03 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 2qst n GLU 13 Cb 0.46 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 2qst n GLU 13 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qst n GLY 14 N 2.41 3.28 0.00 0.62 0.00 0.78 -4.92 105.19 107.36 2qst n GLY 14 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2qst n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qst n LYS 15 N -1.95 1.01 -4.09 1.61 4.76 -0.92 -3.75 118.16 114.83 2qst n LYS 15 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 2qst n LYS 15 Cb 0.00 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.08 2qst n LYS 15 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2qst s GLU 16 N -0.56 0.61 0.09 1.97 1.03 -1.26 -0.49 118.70 120.08 2qst s GLU 16 Ca 0.00 -0.88 0.05 0.00 0.03 0.00 0.00 54.97 54.17 2qst s GLU 16 Cb 0.00 -0.31 -0.04 0.00 -0.80 0.00 0.00 34.13 32.98 2qst s GLU 16 CO 0.00 0.05 -0.01 0.54 -1.33 0.00 0.00 175.26 174.50 2qst s VAL 17 N -1.80 3.94 -0.13 1.83 0.11 -0.81 -4.57 120.40 118.96 2qst s VAL 17 Ca -0.05 -1.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.02 2qst s VAL 17 Cb -0.07 -2.87 0.01 0.00 -1.53 0.00 0.00 36.38 31.92 2qst s VAL 17 CO -0.00 0.13 -0.19 -0.22 -3.33 0.00 0.00 175.10 171.49 2qst s LEU 18 N -2.25 1.97 -0.59 2.54 2.96 -1.01 -1.04 118.68 121.26 2qst s LEU 18 Ca 0.25 -0.55 -0.17 0.00 -0.22 0.00 0.00 54.13 53.44 2qst s LEU 18 Cb -0.12 -1.33 0.13 0.00 0.50 0.00 0.00 46.19 45.37 2qst s LEU 18 CO 0.17 0.05 0.61 -0.76 -1.32 0.00 0.00 176.35 175.11 2qst s LEU 19 N 0.92 5.89 0.23 -0.68 1.43 -0.05 -0.88 118.68 125.55 2qst s LEU 19 Ca -0.06 -1.72 -0.30 0.00 -1.03 0.00 0.00 54.13 51.02 2qst s LEU 19 Cb -0.15 -2.25 -0.09 0.00 0.03 0.00 0.00 46.19 43.73 2qst s LEU 19 CO -0.03 -0.95 1.02 -0.76 0.23 0.00 0.00 176.35 175.87 2qst s LEU 20 N 1.95 4.58 -0.16 1.79 1.43 0.33 -1.97 118.68 126.63 2qst s LEU 20 Ca 0.08 2.06 -0.03 0.00 -1.03 0.00 0.00 54.13 55.21 2qst s LEU 20 Cb -0.26 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.33 2qst s LEU 20 CO 0.03 -0.03 -0.05 -0.69 0.23 0.00 0.00 176.35 175.85 2qst s VAL 21 N -0.90 3.70 0.03 -1.59 1.01 -1.26 -0.24 120.40 121.14 2qst s VAL 21 Ca 0.44 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 62.08 2qst s VAL 21 Cb -0.28 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 2qst s VAL 21 CO 0.35 0.48 -0.24 -1.00 0.00 0.00 0.00 175.10 174.69 2qst s HIS 22 N 0.56 2.38 -1.16 5.22 3.76 0.73 -4.78 115.29 122.00 2qst s HIS 22 Ca -0.04 -0.38 -0.01 0.00 -0.15 0.00 0.00 55.06 54.48 2qst s HIS 22 Cb -0.15 -1.44 -0.01 0.00 1.11 0.00 0.00 32.58 32.09 2qst s HIS 22 CO 0.03 0.12 0.98 0.09 -0.85 0.00 0.00 174.74 175.10 2qst n ASN 23 N 1.90 -2.90 -4.60 1.40 4.13 -1.26 -2.00 115.26 111.93 2qst n ASN 23 Ca -0.17 -0.63 -0.49 0.00 1.68 0.00 0.00 54.58 54.98 2qst n ASN 23 Cb 0.52 -5.11 -0.04 0.00 -1.54 0.00 0.00 39.78 33.61 2qst n ASN 23 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2qst n LEU 24 N -3.94 1.82 -4.75 3.41 4.32 -1.26 -3.91 117.00 112.69 2qst n LEU 24 Ca -0.25 1.14 -0.30 0.00 -0.02 0.00 0.00 56.01 56.58 2qst n LEU 24 Cb 0.66 -1.25 0.23 0.00 -1.62 0.00 0.00 43.42 41.44 2qst n LEU 24 CO 0.60 -1.12 0.75 -2.16 -1.22 0.00 0.00 177.39 174.24 2qst s PRO 25 N -0.21 -0.58 0.79 3.23 0.04 -1.26 -5.05 135.00 131.96 2qst s PRO 25 Ca 0.74 -0.32 -0.07 0.00 0.04 0.00 0.00 61.00 61.40 2qst s PRO 25 Cb -0.83 -1.69 0.14 0.00 0.04 0.00 0.00 34.50 32.15 2qst s PRO 25 CO 0.51 -3.25 1.10 -0.65 0.04 0.00 0.00 177.00 174.75 2qst s GLN 26 N -5.70 1.44 -1.34 4.56 -0.21 -1.26 -4.60 119.66 112.55 2qst s GLN 26 Ca 0.74 -0.75 -0.02 0.00 0.02 0.00 0.00 55.36 55.35 2qst s GLN 26 Cb -0.06 -2.15 0.01 0.00 1.00 0.00 0.00 33.01 31.81 2qst s GLN 26 CO 0.55 -1.71 0.70 0.72 -2.12 0.00 0.00 175.29 173.43 2qst n HIS 27 N -3.14 -1.93 -2.02 0.91 8.25 -1.26 -4.85 115.22 111.19 2qst n HIS 27 Ca 0.14 0.84 -0.28 0.00 -0.26 0.00 0.00 57.72 58.16 2qst n HIS 27 Cb 0.60 -4.28 0.07 0.00 1.12 0.00 0.00 29.99 27.50 2qst n HIS 27 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qst s LEU 28 N -6.77 2.69 0.00 2.41 1.43 -1.26 -0.70 118.68 116.48 2qst s LEU 28 Ca 0.08 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.90 2qst s LEU 28 Cb -0.04 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.86 2qst s LEU 28 CO 0.82 -1.69 0.00 0.33 0.23 0.00 0.00 176.35 176.04 2qst n PHE 29 N -3.11 0.00 -3.99 0.29 7.35 -0.74 -4.38 117.46 112.88 2qst n PHE 29 Ca 0.08 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.78 2qst n PHE 29 Cb 0.60 0.25 0.00 0.00 0.35 0.00 0.00 39.48 40.69 2qst n PHE 29 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2qst n GLY 30 N 1.75 0.31 3.10 7.13 0.00 -1.13 -0.55 105.19 115.80 2qst n GLY 30 Ca 0.00 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.96 2qst n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qst s TYR 31 N -2.15 0.97 -0.10 1.61 4.12 -0.09 -1.37 117.35 120.33 2qst s TYR 31 Ca 0.12 -0.37 0.01 0.00 0.02 0.00 0.00 57.07 56.85 2qst s TYR 31 Cb -0.00 -0.57 0.02 0.00 -1.52 0.00 0.00 41.96 39.88 2qst s TYR 31 CO -0.01 -0.00 -0.12 -1.12 0.02 0.00 0.00 175.55 174.32 2qst s SER 32 N -1.19 2.20 -0.21 2.29 0.01 0.15 -1.77 113.70 115.18 2qst s SER 32 Ca -0.02 -0.36 -0.03 0.00 1.31 0.00 0.00 55.95 56.85 2qst s SER 32 Cb -0.08 -0.95 -0.01 0.00 0.21 0.00 0.00 66.02 65.20 2qst s SER 32 CO 0.01 -0.03 -0.06 0.26 0.41 0.00 0.00 173.24 173.83 2qst s TRP 33 N 1.18 2.94 -0.09 2.43 0.52 -0.26 0.47 118.94 126.14 2qst s TRP 33 Ca -0.04 -0.92 0.03 0.00 0.02 0.00 0.00 56.10 55.19 2qst s TRP 33 Cb -0.14 -2.07 -0.01 0.00 -1.15 0.00 0.00 33.47 30.10 2qst s TRP 33 CO -0.03 -0.52 -0.20 0.71 0.02 0.00 0.00 176.95 176.93 2qst s TYR 34 N 1.35 2.61 0.03 -1.98 1.51 0.61 -0.31 117.35 121.18 2qst s TYR 34 Ca 0.04 -0.74 -0.30 0.00 -1.01 0.00 0.00 57.07 55.06 2qst s TYR 34 Cb -0.14 -1.70 -0.07 0.00 -0.11 0.00 0.00 41.96 39.93 2qst s TYR 34 CO -0.03 -0.24 1.56 0.21 -1.11 0.00 0.00 175.55 175.95 2qst s LYS 35 N 0.07 4.23 0.00 -0.62 2.20 -0.69 0.01 119.74 124.95 2qst s LYS 35 Ca -0.09 2.19 0.00 0.00 -0.36 0.00 0.00 55.97 57.71 2qst s LYS 35 Cb -0.15 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 2qst s LYS 35 CO 0.06 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 2qst n GLY 36 N 3.88 0.30 0.00 5.54 0.00 0.45 -4.83 105.19 110.54 2qst n GLY 36 Ca 0.15 -2.27 0.01 0.00 0.00 0.00 0.00 46.02 43.91 2qst n GLY 36 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qst n GLU 37 N 0.00 0.06 -4.48 1.61 1.02 -1.26 -2.40 120.64 115.19 2qst n GLU 37 Ca 0.00 -0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.82 2qst n GLU 37 Cb 0.00 -1.04 -0.05 0.00 -0.02 0.00 0.00 31.44 30.33 2qst n GLU 37 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2qst s ARG 38 N -2.11 2.22 -0.10 3.49 1.70 -1.26 -4.92 118.95 117.97 2qst s ARG 38 Ca -0.01 -2.29 0.01 0.00 -0.47 0.00 0.00 55.73 52.98 2qst s ARG 38 Cb 0.01 -1.71 0.18 0.00 -0.57 0.00 0.00 34.95 32.85 2qst s ARG 38 CO 0.06 -0.46 1.15 0.00 -1.08 0.00 0.00 175.30 174.97 2qst n ASP 40 N 0.10 1.88 0.07 0.00 -0.08 -1.26 -4.78 116.55 112.47 2qst n ASP 40 Ca 0.14 -0.26 0.21 0.00 -1.51 0.00 0.00 54.79 53.37 2qst n ASP 40 Cb 0.74 -1.41 0.70 0.00 2.34 0.00 0.00 41.12 43.48 2qst n ASP 40 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2qst h GLY 41 N 17.19 0.00 2.00 0.27 0.00 -1.98 0.10 103.07 120.66 2qst h GLY 41 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2qst h GLY 41 CO 1.19 0.00 0.00 0.70 0.00 0.00 0.00 176.54 178.43 2qst n ASN 42 N -3.55 0.72 -1.97 0.19 3.02 -1.26 -2.67 115.26 109.74 2qst n ASN 42 Ca 0.09 0.61 -0.14 0.00 -0.03 0.00 0.00 54.58 55.11 2qst n ASN 42 Cb 0.75 -0.79 0.05 0.00 -0.61 0.00 0.00 39.78 39.18 2qst n ASN 42 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2qst n ARG 43 N -2.23 2.85 -2.97 3.52 1.85 0.34 -4.15 116.66 115.88 2qst n ARG 43 Ca 0.04 -3.85 -0.40 0.00 -1.00 0.00 0.00 57.85 52.64 2qst n ARG 43 Cb 0.34 -1.98 -0.05 0.00 -1.05 0.00 0.00 32.46 29.73 2qst n ARG 43 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2qst s GLN 44 N -3.45 4.48 -0.11 2.89 0.74 -1.09 -1.70 119.66 121.43 2qst s GLN 44 Ca 0.44 1.05 -0.22 0.00 0.05 0.00 0.00 55.36 56.67 2qst s GLN 44 Cb 0.39 -3.40 -0.27 0.00 1.10 0.00 0.00 33.01 30.82 2qst s GLN 44 CO 0.00 0.18 0.69 0.82 -0.55 0.00 0.00 175.29 176.44 2qst h ILE 45 N 4.39 1.39 -1.65 -2.34 2.04 -0.96 0.45 117.51 120.83 2qst h ILE 45 Ca -0.43 -2.41 0.16 0.00 1.00 0.00 0.00 64.86 63.18 2qst h ILE 45 Cb 1.20 3.01 -0.20 0.00 -0.74 0.00 0.00 36.82 40.09 2qst h ILE 45 CO 0.73 0.64 0.66 -0.51 0.00 0.00 0.00 178.15 179.66 2qst s ILE 46 N -2.38 0.00 0.02 -0.67 2.07 -1.12 -1.16 121.20 117.96 2qst s ILE 46 Ca -0.18 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.05 2qst s ILE 46 Cb 0.01 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.59 2qst s ILE 46 CO 0.75 0.00 -0.01 -0.83 -1.91 0.00 0.00 174.94 172.93 2qst s GLY 47 N -1.74 0.21 -0.09 1.50 0.00 0.06 -1.10 107.32 106.17 2qst s GLY 47 Ca 0.04 -0.52 -0.04 0.00 0.00 0.00 0.00 44.72 44.20 2qst s GLY 47 CO -0.04 -0.60 0.20 -0.47 0.00 0.00 0.00 173.10 172.19 2qst s TYR 48 N -1.39 -0.25 -0.30 1.90 5.04 -0.73 -0.29 117.35 121.35 2qst s TYR 48 Ca -0.15 0.64 -0.11 0.00 -2.44 0.00 0.00 57.07 55.00 2qst s TYR 48 Cb -0.09 -0.02 -0.04 0.00 0.35 0.00 0.00 41.96 42.16 2qst s TYR 48 CO -0.01 -0.20 0.20 0.08 -1.34 0.00 0.00 175.55 174.28 2qst s VAL 49 N 1.20 5.24 0.13 3.14 1.01 0.08 -0.92 120.40 130.29 2qst s VAL 49 Ca -0.09 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.72 2qst s VAL 49 Cb -0.11 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 2qst s VAL 49 CO -0.07 0.17 1.77 0.40 0.00 0.00 0.00 175.10 177.37 2qst h ILE 50 N 5.42 1.01 -0.90 2.22 2.04 -1.15 -0.31 117.51 125.84 2qst h ILE 50 Ca -0.34 -0.10 0.11 0.00 1.00 0.00 0.00 64.86 65.54 2qst h ILE 50 Cb 1.18 0.69 -0.08 0.00 -0.74 0.00 0.00 36.82 37.87 2qst h ILE 50 CO 0.58 0.05 0.53 1.23 0.00 0.00 0.00 178.15 180.54 2qst h GLY 51 N 0.29 1.44 -0.86 5.37 0.00 -1.94 -2.80 103.07 104.57 2qst h GLY 51 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2qst h GLY 51 CO -0.06 0.11 0.00 -1.30 0.00 0.00 0.00 176.54 175.28 2qst n THR 52 N -4.72 1.64 -3.21 4.70 -2.24 -1.11 -4.97 114.28 104.38 2qst n THR 52 Ca 0.16 -1.59 -0.19 0.00 -2.27 0.00 0.00 64.05 60.16 2qst n THR 52 Cb 0.34 0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.63 2qst n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qst n GLN 53 N -0.47 -2.77 -3.74 -0.78 6.02 -0.15 -4.89 117.38 110.60 2qst n GLN 53 Ca 0.14 0.34 -0.36 0.00 -0.01 0.00 0.00 57.00 57.11 2qst n GLN 53 Cb 0.60 -4.97 -0.10 0.00 1.02 0.00 0.00 30.24 26.80 2qst n GLN 53 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2qst s GLN 54 N -5.82 4.02 -0.24 -1.09 -1.52 -1.08 -4.91 119.66 109.02 2qst s GLN 54 Ca 0.32 -0.30 0.02 0.00 -1.95 0.00 0.00 55.36 53.44 2qst s GLN 54 Cb -0.17 -3.45 0.05 0.00 -0.22 0.00 0.00 33.01 29.21 2qst s GLN 54 CO 0.39 0.09 -0.12 0.00 -0.25 0.00 0.00 175.29 175.40 2qst s ALA 55 N 0.95 2.54 -0.17 6.09 0.00 -1.26 -0.74 121.76 129.17 2qst s ALA 55 Ca 0.07 -1.62 -0.04 0.00 0.00 0.00 0.00 51.96 50.36 2qst s ALA 55 Cb -0.13 -1.53 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 2qst s ALA 55 CO 0.03 -0.99 -0.04 0.99 0.00 0.00 0.00 175.76 175.76 2qst s THR 56 N 1.17 3.76 0.70 0.00 2.01 0.61 -4.97 115.64 118.91 2qst s THR 56 Ca -0.05 -0.39 -0.15 0.00 0.31 0.00 0.00 61.69 61.40 2qst s THR 56 Cb -0.18 -2.66 0.02 0.00 0.01 0.00 0.00 72.50 69.69 2qst s THR 56 CO -0.07 0.47 1.18 -2.16 -0.69 0.00 0.00 174.62 173.36 2qst s PRO 57 N 0.65 2.38 0.48 4.92 0.04 -1.26 -0.76 135.00 141.45 2qst s PRO 57 Ca -0.02 1.68 0.03 0.00 0.04 0.00 0.00 61.00 62.73 2qst s PRO 57 Cb -0.14 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2qst s PRO 57 CO 0.02 -1.63 0.03 0.20 0.04 0.00 0.00 177.00 175.66 2qst s GLY 58 N -2.10 2.84 0.31 0.56 0.00 -0.31 -4.84 107.32 103.78 2qst s GLY 58 Ca 0.73 -0.98 0.08 0.00 0.00 0.00 0.00 44.72 44.55 2qst s GLY 58 CO 0.43 -2.15 1.71 -2.55 0.00 0.00 0.00 173.10 170.54 2qst h PRO 59 N 1.43 0.48 0.00 2.90 0.11 -1.72 -1.48 132.00 133.73 2qst h PRO 59 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2qst h PRO 59 Cb 1.29 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2qst h PRO 59 CO 0.75 0.32 -0.06 0.00 -0.21 0.00 0.00 178.00 178.80 2qst n ALA 60 N -2.37 2.35 -1.58 -0.75 0.00 0.13 -4.89 120.51 113.40 2qst n ALA 60 Ca 0.26 -0.05 -0.41 0.00 0.00 0.00 0.00 53.44 53.23 2qst n ALA 60 Cb 0.74 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 18.76 2qst n ALA 60 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2qst n TYR 61 N -2.16 0.81 -1.05 0.00 9.36 -0.56 -4.84 117.16 118.73 2qst n TYR 61 Ca 0.06 0.56 0.00 0.00 3.32 0.00 0.00 57.90 61.84 2qst n TYR 61 Cb 0.42 -2.17 0.00 0.00 -0.63 0.00 0.00 39.34 36.96 2qst n TYR 61 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 2qst n SER 62 N 0.58 0.00 0.00 2.98 3.41 -1.26 -4.95 113.62 114.38 2qst n SER 62 Ca 0.10 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 2qst n SER 62 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2qst n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qst n GLY 63 N 0.00 0.41 0.00 5.00 0.00 -1.26 -4.91 105.19 104.43 2qst n GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qst n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qst n ARG 64 N -2.00 4.87 -3.41 1.61 1.74 -1.26 -5.03 116.66 113.18 2qst n ARG 64 Ca 0.00 -0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.70 2qst n ARG 64 Cb 0.00 -0.66 -0.06 0.00 -1.02 0.00 0.00 32.46 30.72 2qst n ARG 64 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2qst s GLU 65 N -1.32 4.17 -0.03 5.56 1.03 -1.26 -1.66 118.70 125.18 2qst s GLU 65 Ca 0.00 0.41 0.07 0.00 0.03 0.00 0.00 54.97 55.48 2qst s GLU 65 Cb 0.00 -3.35 -0.02 0.00 -0.80 0.00 0.00 34.13 29.97 2qst s GLU 65 CO 0.01 0.39 -0.23 0.42 -1.33 0.00 0.00 175.26 174.52 2qst s ILE 66 N -0.11 1.87 0.09 1.83 1.01 0.28 -4.99 121.20 121.18 2qst s ILE 66 Ca 0.24 -1.00 0.06 0.00 0.00 0.00 0.00 60.65 59.95 2qst s ILE 66 Cb -0.16 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 2qst s ILE 66 CO 0.11 0.53 -0.09 -0.51 0.00 0.00 0.00 174.94 174.98 2qst s ILE 67 N -0.44 3.44 0.16 2.92 2.07 -1.26 -0.95 121.20 127.14 2qst s ILE 67 Ca 0.06 -1.19 0.10 0.00 -1.41 0.00 0.00 60.65 58.21 2qst s ILE 67 Cb -0.10 -2.60 -0.04 0.00 0.13 0.00 0.00 42.46 39.85 2qst s ILE 67 CO 0.00 0.15 -0.23 -0.31 -1.91 0.00 0.00 174.94 172.64 2qst s TYR 68 N -1.20 2.13 0.50 3.50 2.02 -0.35 -5.00 117.35 118.96 2qst s TYR 68 Ca 0.21 -0.39 0.28 0.00 -0.37 0.00 0.00 57.07 56.80 2qst s TYR 68 Cb -0.11 -1.10 1.38 0.00 -0.40 0.00 0.00 41.96 41.73 2qst s TYR 68 CO 0.13 0.38 1.87 -1.35 -1.57 0.00 0.00 175.55 175.02 2qst h PRO 69 N 3.52 0.11 -0.02 -1.71 0.11 -2.01 0.10 132.00 132.10 2qst h PRO 69 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2qst h PRO 69 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2qst h PRO 69 CO 0.45 0.07 0.00 0.27 -0.21 0.00 0.00 178.00 178.58 2qst n ASN 70 N -4.34 0.16 0.00 -2.05 0.23 -1.26 -4.90 115.26 103.10 2qst n ASN 70 Ca 0.19 -1.45 0.00 0.00 -0.53 0.00 0.00 54.58 52.79 2qst n ASN 70 Cb 0.91 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.60 2qst n ASN 70 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2qst n ALA 71 N -0.68 0.00 -1.44 -2.53 0.00 0.35 -4.74 120.51 111.46 2qst n ALA 71 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 2qst n ALA 71 Cb 0.09 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.61 2qst n ALA 71 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2qst n SER 72 N 0.00 0.45 -3.71 0.00 7.64 -1.26 -4.66 113.62 112.08 2qst n SER 72 Ca 0.00 0.70 -0.17 0.00 1.01 0.00 0.00 58.87 60.41 2qst n SER 72 Cb 0.00 -1.39 -0.16 0.00 -1.01 0.00 0.00 64.21 61.65 2qst n SER 72 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2qst s LEU 73 N -2.58 0.47 0.05 -3.43 2.96 -0.83 -1.21 118.68 114.10 2qst s LEU 73 Ca 0.74 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.81 2qst s LEU 73 Cb -0.37 0.05 -0.04 0.00 0.50 0.00 0.00 46.19 46.34 2qst s LEU 73 CO 0.49 -0.20 0.16 -0.22 -1.32 0.00 0.00 176.35 175.26 2qst s LEU 74 N 1.71 4.16 -0.07 -0.68 0.20 -0.12 -0.87 118.68 123.01 2qst s LEU 74 Ca -0.02 0.19 0.01 0.00 0.69 0.00 0.00 54.13 55.00 2qst s LEU 74 Cb -0.12 -2.70 0.02 0.00 -0.43 0.00 0.00 46.19 42.96 2qst s LEU 74 CO -0.04 0.20 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.51 2qst s ILE 75 N -1.41 0.85 0.43 6.68 1.01 -0.20 -0.56 121.20 128.00 2qst s ILE 75 Ca 0.31 -0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.74 2qst s ILE 75 Cb -0.13 -0.84 0.01 0.00 0.01 0.00 0.00 42.46 41.52 2qst s ILE 75 CO 0.23 0.31 0.60 -1.10 0.00 0.00 0.00 174.94 174.98 2qst s GLN 76 N 1.04 2.85 -0.66 2.79 -0.21 -0.67 -1.93 119.66 122.87 2qst s GLN 76 Ca -0.08 -1.02 -0.15 0.00 0.02 0.00 0.00 55.36 54.13 2qst s GLN 76 Cb -0.14 -2.69 0.02 0.00 1.00 0.00 0.00 33.01 31.19 2qst s GLN 76 CO -0.00 -0.29 0.39 0.09 -2.12 0.00 0.00 175.29 173.36 2qst n ASN 77 N -1.93 -2.57 -4.77 5.90 3.02 -1.05 -4.82 115.26 109.04 2qst n ASN 77 Ca 0.05 -0.73 -0.39 0.00 -0.03 0.00 0.00 54.58 53.48 2qst n ASN 77 Cb 0.59 -0.95 0.01 0.00 -0.61 0.00 0.00 39.78 38.82 2qst n ASN 77 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qst s ILE 78 N -3.67 2.43 0.24 2.41 -1.09 0.36 -4.65 121.20 117.23 2qst s ILE 78 Ca 0.21 0.37 0.06 0.00 -2.23 0.00 0.00 60.65 59.07 2qst s ILE 78 Cb -0.12 -3.21 -0.05 0.00 -1.58 0.00 0.00 42.46 37.49 2qst s ILE 78 CO 0.57 0.05 -0.07 0.27 -1.23 0.00 0.00 174.94 174.53 2qst s ILE 79 N -1.26 1.52 0.32 2.92 -4.36 -1.26 -0.15 121.20 118.93 2qst s ILE 79 Ca 0.60 -2.13 0.10 0.00 -0.26 0.00 0.00 60.65 58.96 2qst s ILE 79 Cb -0.39 -2.28 0.31 0.00 1.25 0.00 0.00 42.46 41.35 2qst s ILE 79 CO 0.50 -0.41 1.71 1.56 0.24 0.00 0.00 174.94 178.54 2qst h GLN 80 N 2.42 0.49 0.00 0.37 1.08 -1.97 0.76 115.11 118.26 2qst h GLN 80 Ca -0.39 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 2qst h GLN 80 Cb 1.23 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 2qst h GLN 80 CO 0.65 0.32 0.00 0.09 -0.95 0.00 0.00 178.83 178.94 2qst n ASN 81 N -4.94 0.00 0.12 1.46 4.13 -1.26 -1.48 115.26 113.29 2qst n ASN 81 Ca 0.28 0.40 0.01 0.00 1.68 0.00 0.00 54.58 56.94 2qst n ASN 81 Cb 0.79 -0.45 -0.00 0.00 -1.54 0.00 0.00 39.78 38.58 2qst n ASN 81 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 2qst h ASP 82 N 0.00 0.00 -3.72 6.41 3.32 -1.25 -3.46 116.42 117.72 2qst h ASP 82 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 2qst h ASP 82 Cb 0.26 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.92 2qst h ASP 82 CO 0.00 0.60 0.63 0.00 -1.72 0.00 0.00 179.24 178.75 2qst n ALA 83 N -2.25 1.79 0.00 3.45 0.00 -0.55 -4.79 120.51 118.16 2qst n ALA 83 Ca 0.02 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2qst n ALA 83 Cb 0.77 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.88 2qst n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qst n GLY 84 N 0.64 0.90 3.89 0.00 0.00 -0.89 -5.01 105.19 104.71 2qst n GLY 84 Ca 0.04 -1.82 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 2qst n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qst s PHE 85 N -3.13 3.45 -0.03 1.61 0.40 -1.26 -2.46 117.98 116.55 2qst s PHE 85 Ca 0.00 0.79 -0.00 0.00 -0.60 0.00 0.00 56.93 57.12 2qst s PHE 85 Cb 0.00 -2.21 0.03 0.00 0.51 0.00 0.00 43.02 41.35 2qst s PHE 85 CO 0.00 0.21 0.03 0.71 0.70 0.00 0.00 175.22 176.87 2qst s TYR 86 N -1.95 0.13 -0.11 0.36 1.51 0.43 -0.41 117.35 117.32 2qst s TYR 86 Ca 0.46 0.12 0.00 0.00 -1.01 0.00 0.00 57.07 56.64 2qst s TYR 86 Cb -0.11 -0.36 -0.02 0.00 -0.11 0.00 0.00 41.96 41.36 2qst s TYR 86 CO 0.25 -0.13 -0.12 0.99 -1.11 0.00 0.00 175.55 175.43 2qst s THR 87 N 1.36 3.20 -0.01 -0.71 2.01 0.10 -0.68 115.64 120.90 2qst s THR 87 Ca -0.05 -0.62 -0.00 0.00 0.31 0.00 0.00 61.69 61.32 2qst s THR 87 Cb -0.13 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 2qst s THR 87 CO -0.03 0.54 0.05 -0.22 -0.69 0.00 0.00 174.62 174.27 2qst s LEU 88 N 0.07 3.77 -0.19 4.42 2.96 0.39 -0.28 118.68 129.82 2qst s LEU 88 Ca -0.04 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.96 2qst s LEU 88 Cb -0.14 -2.14 0.05 0.00 0.50 0.00 0.00 46.19 44.46 2qst s LEU 88 CO 0.04 0.29 -0.02 -2.28 -1.32 0.00 0.00 176.35 173.06 2qst s HIS 89 N -1.13 1.61 -0.37 5.38 2.46 0.18 -1.72 115.29 121.69 2qst s HIS 89 Ca 0.21 -1.15 -0.16 0.00 0.47 0.00 0.00 55.06 54.43 2qst s HIS 89 Cb -0.12 -1.26 0.00 0.00 -0.13 0.00 0.00 32.58 31.07 2qst s HIS 89 CO 0.11 -0.65 0.40 0.14 -2.47 0.00 0.00 174.74 172.28 2qst s VAL 90 N 1.66 5.13 -0.60 0.89 -7.23 0.37 0.34 120.40 120.95 2qst s VAL 90 Ca -0.02 -0.07 -0.26 0.00 -1.81 0.00 0.00 61.98 59.83 2qst s VAL 90 Cb -0.17 -3.91 0.04 0.00 0.56 0.00 0.00 36.38 32.90 2qst s VAL 90 CO -0.07 -0.22 1.08 -0.63 -0.31 0.00 0.00 175.10 174.94 2qst s ILE 91 N 2.09 4.16 0.72 -0.62 -1.09 -0.47 -2.01 121.20 123.98 2qst s ILE 91 Ca 0.12 0.43 -0.11 0.00 -2.23 0.00 0.00 60.65 58.86 2qst s ILE 91 Cb -0.17 -4.68 0.03 0.00 -1.58 0.00 0.00 42.46 36.07 2qst s ILE 91 CO 0.12 -1.34 1.08 -0.54 -1.23 0.00 0.00 174.94 173.03 2qst s LYS 92 N 4.57 2.62 0.55 2.79 1.02 -1.26 -1.78 119.74 128.24 2qst s LYS 92 Ca 0.34 1.11 0.33 0.00 0.02 0.00 0.00 55.97 57.77 2qst s LYS 92 Cb -0.11 -1.94 1.50 0.00 -0.52 0.00 0.00 37.83 36.76 2qst s LYS 92 CO 0.20 -1.35 2.04 0.66 -0.92 0.00 0.00 175.35 175.97 2qst h SER 93 N -0.78 0.00 -0.12 2.83 4.64 -1.12 -1.65 113.55 117.36 2qst h SER 93 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2qst h SER 93 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2qst h SER 93 CO 0.54 0.05 0.00 -0.90 -0.87 0.00 0.00 176.83 175.65 2qst n ASP 94 N -3.22 3.09 -0.71 4.97 3.85 -1.26 -4.97 116.55 118.29 2qst n ASP 94 Ca -0.00 -1.99 -0.09 0.00 -0.71 0.00 0.00 54.79 51.99 2qst n ASP 94 Cb 0.27 -0.06 -0.04 0.00 -1.35 0.00 0.00 41.12 39.94 2qst n ASP 94 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 2qst n LEU 95 N 1.37 -0.54 -4.42 -2.12 4.32 -0.62 -4.94 117.00 110.05 2qst n LEU 95 Ca 0.15 0.23 -0.45 0.00 -0.02 0.00 0.00 56.01 55.93 2qst n LEU 95 Cb 0.60 -1.83 -0.02 0.00 -1.62 0.00 0.00 43.42 40.55 2qst n LEU 95 CO 0.15 -0.62 0.85 -0.69 -1.22 0.00 0.00 177.39 175.86 2qst s VAL 96 N -2.21 4.96 0.78 4.08 1.01 -1.26 -4.95 120.40 122.81 2qst s VAL 96 Ca 0.00 -1.83 -0.09 0.00 0.00 0.00 0.00 61.98 60.07 2qst s VAL 96 Cb 0.00 -4.71 0.11 0.00 0.00 0.00 0.00 36.38 31.78 2qst s VAL 96 CO 0.00 -1.39 1.10 0.20 0.00 0.00 0.00 175.10 175.01 2qst s ASN 97 N 3.25 4.30 0.21 3.32 0.01 -1.26 -4.62 114.94 120.15 2qst s ASN 97 Ca 0.29 0.33 0.11 0.00 -0.71 0.00 0.00 52.86 52.88 2qst s ASN 97 Cb -0.06 -0.77 -0.05 0.00 0.41 0.00 0.00 41.25 40.78 2qst s ASN 97 CO -0.09 -1.95 -0.21 -1.61 -1.51 0.00 0.00 177.10 171.73 2qst s GLU 98 N -5.42 1.64 0.07 -0.60 2.02 -0.85 -4.96 118.70 110.59 2qst s GLU 98 Ca 0.65 -1.54 0.01 0.00 0.02 0.00 0.00 54.97 54.11 2qst s GLU 98 Cb -0.08 -1.88 -0.04 0.00 0.10 0.00 0.00 34.13 32.23 2qst s GLU 98 CO 0.47 0.39 -0.06 -1.83 0.02 0.00 0.00 175.26 174.25 2qst s GLU 99 N -2.89 0.69 0.00 1.61 1.03 -1.26 -0.48 118.70 117.40 2qst s GLU 99 Ca 0.23 -1.14 -0.24 0.00 0.03 0.00 0.00 54.97 53.86 2qst s GLU 99 Cb -0.07 -0.14 0.05 0.00 -0.80 0.00 0.00 34.13 33.17 2qst s GLU 99 CO 0.12 -0.02 0.53 0.00 -1.33 0.00 0.00 175.26 174.56 2qst s ALA 100 N -3.01 -1.35 0.05 -0.84 0.00 -0.70 -4.96 121.76 110.95 2qst s ALA 100 Ca 0.04 0.77 0.05 0.00 0.00 0.00 0.00 51.96 52.82 2qst s ALA 100 Cb 0.01 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 2qst s ALA 100 CO -0.04 -0.41 -0.14 -0.08 0.00 0.00 0.00 175.76 175.09 2qst s THR 101 N -1.80 1.11 0.32 0.00 -1.32 -1.26 -0.46 115.64 112.23 2qst s THR 101 Ca -0.09 -1.14 0.03 0.00 -1.21 0.00 0.00 61.69 59.28 2qst s THR 101 Cb -0.01 -1.04 -0.05 0.00 -1.51 0.00 0.00 72.50 69.89 2qst s THR 101 CO 0.03 -0.10 0.09 -0.83 -2.21 0.00 0.00 174.62 171.61 2qst s GLY 102 N -1.41 2.10 0.28 6.08 0.00 0.14 -4.63 107.32 109.87 2qst s GLY 102 Ca -0.00 -1.80 0.02 0.00 0.00 0.00 0.00 44.72 42.95 2qst s GLY 102 CO 0.02 -1.74 0.15 -0.86 0.00 0.00 0.00 173.10 170.67 2qst s GLN 103 N -3.89 1.51 0.26 2.90 -2.07 -1.26 -0.43 119.66 116.69 2qst s GLN 103 Ca 0.34 -1.85 -0.09 0.00 -1.82 0.00 0.00 55.36 51.94 2qst s GLN 103 Cb 0.07 -0.07 -0.01 0.00 -1.09 0.00 0.00 33.01 31.91 2qst s GLN 103 CO 0.15 -0.42 0.42 -0.59 -1.32 0.00 0.00 175.29 173.53 2qst s PHE 104 N -3.70 0.62 0.15 9.60 -0.71 -1.03 -4.45 117.98 118.47 2qst s PHE 104 Ca 0.37 -0.94 0.09 0.00 -1.04 0.00 0.00 56.93 55.41 2qst s PHE 104 Cb 0.06 0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.84 2qst s PHE 104 CO 0.16 -0.96 -0.21 1.03 -1.34 0.00 0.00 175.22 173.90 2qst s ARG 105 N -3.86 1.30 0.26 1.99 0.52 -0.06 -2.10 118.95 117.00 2qst s ARG 105 Ca 0.27 -1.36 0.12 0.00 -0.52 0.00 0.00 55.73 54.23 2qst s ARG 105 Cb 0.01 -1.51 -0.05 0.00 0.52 0.00 0.00 34.95 33.92 2qst s ARG 105 CO 0.12 0.33 -0.19 0.08 0.02 0.00 0.00 175.30 175.65 2qst s VAL 106 N -1.63 2.55 -0.12 3.52 1.01 -1.26 -0.77 120.40 123.70 2qst s VAL 106 Ca 0.14 -2.29 -0.29 0.00 0.00 0.00 0.00 61.98 59.54 2qst s VAL 106 Cb -0.08 -2.32 0.07 0.00 0.00 0.00 0.00 36.38 34.06 2qst s VAL 106 CO 0.07 -0.34 0.69 -0.72 0.00 0.00 0.00 175.10 174.80 2qst s TYR 107 N -2.32 -0.70 0.19 5.22 -0.85 -0.92 -4.91 117.35 113.06 2qst s TYR 107 Ca 0.28 1.37 -0.23 0.00 -0.52 0.00 0.00 57.07 57.97 2qst s TYR 107 Cb -0.06 0.37 -0.08 0.00 0.38 0.00 0.00 41.96 42.57 2qst s TYR 107 CO 0.14 -0.54 0.76 -1.25 -1.52 0.00 0.00 175.55 173.14 2qst s PRO 108 N -0.71 4.43 0.72 -3.49 0.04 -1.26 -1.48 135.00 133.25 2qst s PRO 108 Ca -0.08 1.04 -0.08 0.00 0.04 0.00 0.00 61.00 61.93 2qst s PRO 108 Cb -0.02 -3.09 0.06 0.00 0.04 0.00 0.00 34.50 31.50 2qst s PRO 108 CO 0.07 0.49 1.04 -1.21 0.04 0.00 0.00 177.00 177.44 2qst s GLU 109 N -1.51 2.18 0.00 4.56 2.02 -1.26 -4.98 118.70 119.71 2qst s GLU 109 Ca 0.39 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 55.21 2qst s GLU 109 Cb -0.20 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 31.90 2qst s GLU 109 CO 0.24 -1.29 0.00 -0.11 0.02 0.00 0.00 175.26 174.12