#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 3.16 -0.06 0.00 2.20 -1.26 -4.95 119.74 118.82 2qst s LYS 1 Ca 0.00 1.42 -0.30 0.00 -0.36 0.00 0.00 55.97 56.73 2qst s LYS 1 Cb 0.00 -2.00 -0.03 0.00 -1.51 0.00 0.00 37.83 34.29 2qst s LYS 1 CO 0.00 -0.97 1.24 -1.17 -0.36 0.00 0.00 175.35 174.09 2qst s LEU 2 N -4.35 4.27 0.09 5.43 2.96 -1.26 -4.63 118.68 121.19 2qst s LEU 2 Ca 0.68 1.84 0.05 0.00 -0.22 0.00 0.00 54.13 56.48 2qst s LEU 2 Cb -0.20 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.90 2qst s LEU 2 CO 0.34 -0.63 -0.12 -0.89 -1.32 0.00 0.00 176.35 173.73 2qst s THR 3 N 2.43 1.07 0.25 3.68 2.01 -0.69 -4.73 115.64 119.66 2qst s THR 3 Ca 0.57 -1.51 0.06 0.00 0.31 0.00 0.00 61.69 61.12 2qst s THR 3 Cb -0.25 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.97 2qst s THR 3 CO 0.22 -0.40 0.26 -0.63 -0.69 0.00 0.00 174.62 173.38 2qst s ILE 4 N -1.90 4.72 -0.29 1.82 1.01 -1.26 -1.04 121.20 124.27 2qst s ILE 4 Ca 0.03 -1.24 0.02 0.00 0.00 0.00 0.00 60.65 59.46 2qst s ILE 4 Cb -0.06 -3.57 0.17 0.00 0.01 0.00 0.00 42.46 39.02 2qst s ILE 4 CO 0.02 -0.34 0.49 -0.70 0.00 0.00 0.00 174.94 174.41 2qst s GLU 5 N -3.90 0.48 0.47 2.79 2.12 -0.05 -4.89 118.70 115.71 2qst s GLU 5 Ca 0.34 0.45 -0.22 0.00 0.36 0.00 0.00 54.97 55.90 2qst s GLU 5 Cb -0.08 -0.01 -0.07 0.00 0.26 0.00 0.00 34.13 34.22 2qst s GLU 5 CO 0.27 -0.93 1.14 -1.54 -0.54 0.00 0.00 175.26 173.65 2qst s SER 6 N 2.69 6.18 -0.37 -1.70 1.04 -1.26 -0.48 113.70 119.79 2qst s SER 6 Ca 0.12 2.23 0.06 0.00 0.48 0.00 0.00 55.95 58.83 2qst s SER 6 Cb -0.12 -2.59 0.17 0.00 0.10 0.00 0.00 66.02 63.58 2qst s SER 6 CO -0.26 -0.91 0.54 -0.89 0.98 0.00 0.00 173.24 172.71 2qst s THR 7 N -1.63 -0.79 0.76 2.02 2.01 -0.93 -3.79 115.64 113.28 2qst s THR 7 Ca 0.65 -0.28 -0.10 0.00 0.31 0.00 0.00 61.69 62.26 2qst s THR 7 Cb -0.26 -0.38 0.06 0.00 0.01 0.00 0.00 72.50 71.93 2qst s THR 7 CO 0.31 -0.18 1.11 -2.16 -0.69 0.00 0.00 174.62 173.02 2qst s PRO 8 N 1.92 2.16 0.05 4.92 0.04 -1.26 -1.45 135.00 141.38 2qst s PRO 8 Ca 0.15 0.03 0.02 0.00 0.04 0.00 0.00 61.00 61.24 2qst s PRO 8 Cb -0.08 -2.04 -0.25 0.00 0.04 0.00 0.00 34.50 32.17 2qst s PRO 8 CO -0.10 -1.40 1.03 0.35 0.04 0.00 0.00 177.00 176.92 2qst h PHE 9 N -0.84 0.24 -3.58 0.56 3.57 -1.92 -3.42 116.94 111.55 2qst h PHE 9 Ca -0.45 -0.18 -0.70 0.00 3.53 0.00 0.00 57.97 60.17 2qst h PHE 9 Cb 1.32 -0.01 -0.32 0.00 2.79 0.00 0.00 35.95 39.72 2qst h PHE 9 CO 0.34 1.18 -0.58 -0.80 -2.23 0.00 0.00 178.31 176.22 2qst s ASN 10 N -6.80 5.24 -0.18 0.41 -0.87 -1.26 -0.02 114.94 111.46 2qst s ASN 10 Ca -0.04 -1.63 -0.08 0.00 -1.57 0.00 0.00 52.86 49.54 2qst s ASN 10 Cb 0.08 -1.83 -0.04 0.00 -0.02 0.00 0.00 41.25 39.43 2qst s ASN 10 CO 0.84 -0.44 0.09 -0.69 -2.57 0.00 0.00 177.10 174.33 2qst s VAL 11 N 1.26 5.07 0.12 1.60 1.01 0.29 -4.95 120.40 124.80 2qst s VAL 11 Ca 0.03 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 2qst s VAL 11 Cb -0.22 -3.29 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 2qst s VAL 11 CO -0.01 0.47 1.08 0.00 0.00 0.00 0.00 175.10 176.63 2qst s ALA 12 N 0.24 3.33 0.48 5.51 0.00 -1.26 -1.39 121.76 128.67 2qst s ALA 12 Ca 0.06 0.74 -0.17 0.00 0.00 0.00 0.00 51.96 52.59 2qst s ALA 12 Cb -0.12 -3.36 -0.14 0.00 0.00 0.00 0.00 23.12 19.50 2qst s ALA 12 CO -0.00 -0.22 -0.12 0.39 0.00 0.00 0.00 175.76 175.81 2qst n GLU 13 N 2.95 0.00 0.00 0.00 1.02 -0.16 -1.39 120.64 123.05 2qst n GLU 13 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2qst n GLU 13 Cb 0.47 -0.95 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 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 2.39 2.11 0.00 0.62 0.00 0.01 -4.88 105.19 105.44 2qst n GLY 14 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.38 2.57 -4.18 1.61 5.02 -0.49 -3.96 118.16 117.35 2qst n LYS 15 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 2qst n LYS 15 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 2qst n LYS 15 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2qst s GLU 16 N 0.69 0.87 0.01 1.97 2.02 -1.26 -1.33 118.70 121.67 2qst s GLU 16 Ca 0.00 -1.34 0.01 0.00 0.02 0.00 0.00 54.97 53.66 2qst s GLU 16 Cb 0.00 -0.30 -0.01 0.00 0.10 0.00 0.00 34.13 33.92 2qst s GLU 16 CO 0.00 0.00 -0.05 0.54 0.02 0.00 0.00 175.26 175.78 2qst s VAL 17 N -3.49 0.34 -0.20 2.63 0.11 -0.43 -4.65 120.40 114.71 2qst s VAL 17 Ca 0.12 -0.45 0.01 0.00 -2.93 0.00 0.00 61.98 58.74 2qst s VAL 17 Cb 0.04 -0.34 0.03 0.00 -1.53 0.00 0.00 36.38 34.58 2qst s VAL 17 CO -0.04 -0.08 -0.18 -0.22 -3.33 0.00 0.00 175.10 171.26 2qst s LEU 18 N -0.56 2.45 -0.72 2.54 2.96 -0.53 -1.32 118.68 123.50 2qst s LEU 18 Ca -0.03 -0.82 -0.21 0.00 -0.22 0.00 0.00 54.13 52.85 2qst s LEU 18 Cb -0.04 -1.50 0.09 0.00 0.50 0.00 0.00 46.19 45.24 2qst s LEU 18 CO -0.00 -0.05 0.98 -0.76 -1.32 0.00 0.00 176.35 175.20 2qst s LEU 19 N 1.25 4.64 0.51 -0.68 1.43 0.43 -2.19 118.68 124.07 2qst s LEU 19 Ca 0.02 -1.29 -0.20 0.00 -1.03 0.00 0.00 54.13 51.62 2qst s LEU 19 Cb -0.15 -2.40 -0.07 0.00 0.03 0.00 0.00 46.19 43.61 2qst s LEU 19 CO -0.11 -1.32 1.13 -0.76 0.23 0.00 0.00 176.35 175.52 2qst s LEU 20 N 3.60 3.83 -0.20 1.79 1.43 0.37 -2.46 118.68 127.05 2qst s LEU 20 Ca 0.24 2.18 0.01 0.00 -1.03 0.00 0.00 54.13 55.53 2qst s LEU 20 Cb -0.15 -4.49 0.04 0.00 0.03 0.00 0.00 46.19 41.63 2qst s LEU 20 CO 0.05 -1.09 -0.13 -0.69 0.23 0.00 0.00 176.35 174.72 2qst s VAL 21 N -1.73 1.81 -0.13 -1.59 1.01 -1.26 -0.87 120.40 117.63 2qst s VAL 21 Ca 0.70 -1.06 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 2qst s VAL 21 Cb -0.24 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 2qst s VAL 21 CO 0.28 0.24 0.07 -1.00 0.00 0.00 0.00 175.10 174.70 2qst s HIS 22 N 1.33 3.35 -0.31 5.22 3.76 -0.20 -4.69 115.29 123.75 2qst s HIS 22 Ca -0.01 0.28 -0.01 0.00 -0.15 0.00 0.00 55.06 55.17 2qst s HIS 22 Cb -0.16 -1.94 0.00 0.00 1.11 0.00 0.00 32.58 31.59 2qst s HIS 22 CO -0.09 0.46 0.26 0.09 -0.85 0.00 0.00 174.74 174.61 2qst n ASN 23 N 2.57 -2.33 -4.65 1.40 3.02 -1.26 -1.71 115.26 112.29 2qst n ASN 23 Ca -0.18 -0.15 -0.47 0.00 -0.03 0.00 0.00 54.58 53.75 2qst n ASN 23 Cb 0.54 -1.65 -0.04 0.00 -0.61 0.00 0.00 39.78 38.02 2qst n ASN 23 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2qst n LEU 24 N -1.74 2.79 -4.83 3.41 7.99 -1.26 -4.27 117.00 119.09 2qst n LEU 24 Ca -0.05 1.11 -0.30 0.00 -0.01 0.00 0.00 56.01 56.76 2qst n LEU 24 Cb 0.53 -1.38 0.09 0.00 -0.11 0.00 0.00 43.42 42.55 2qst n LEU 24 CO 0.16 -0.52 0.73 -2.16 -1.51 0.00 0.00 177.39 174.09 2qst s PRO 25 N 0.39 2.05 0.50 3.23 0.04 -1.26 -5.02 135.00 134.93 2qst s PRO 25 Ca 0.76 0.45 -0.14 0.00 0.04 0.00 0.00 61.00 62.11 2qst s PRO 25 Cb -0.72 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 31.82 2qst s PRO 25 CO 0.43 -1.60 0.94 -0.65 0.04 0.00 0.00 177.00 176.16 2qst s GLN 26 N -5.29 3.85 -0.26 4.56 -0.21 -1.26 -4.39 119.66 116.67 2qst s GLN 26 Ca 0.61 0.80 -0.01 0.00 0.02 0.00 0.00 55.36 56.78 2qst s GLN 26 Cb -0.13 -2.19 0.00 0.00 1.00 0.00 0.00 33.01 31.69 2qst s GLN 26 CO 0.53 -0.26 0.22 0.72 -2.12 0.00 0.00 175.29 174.38 2qst n HIS 27 N -1.70 -0.51 -1.35 0.91 8.25 -1.26 -4.91 115.22 114.65 2qst n HIS 27 Ca 0.05 0.19 -0.31 0.00 -0.26 0.00 0.00 57.72 57.40 2qst n HIS 27 Cb 0.54 -2.14 0.08 0.00 1.12 0.00 0.00 29.99 29.59 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 -2.51 3.03 0.00 2.41 1.43 -1.26 -0.34 118.68 121.44 2qst s LEU 28 Ca 0.07 1.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 2qst s LEU 28 Cb -0.03 -4.48 0.00 0.00 0.03 0.00 0.00 46.19 41.71 2qst s LEU 28 CO 0.14 -1.88 0.00 0.33 0.23 0.00 0.00 176.35 175.18 2qst n PHE 29 N -3.42 0.00 -3.83 0.29 7.35 0.38 -4.33 117.46 113.91 2qst n PHE 29 Ca 0.08 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.73 2qst n PHE 29 Cb 0.53 0.08 0.01 0.00 0.35 0.00 0.00 39.48 40.45 2qst n PHE 29 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2qst s GLY 30 N -4.29 0.05 0.02 7.13 0.00 -0.86 -0.05 107.32 109.32 2qst s GLY 30 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 44.72 44.42 2qst s GLY 30 CO 0.00 0.93 0.02 -0.19 0.00 0.00 0.00 173.10 173.86 2qst s TYR 31 N -2.66 0.22 0.06 1.90 1.51 -0.06 -0.66 117.35 117.65 2qst s TYR 31 Ca 0.17 -0.46 0.04 0.00 -1.01 0.00 0.00 57.07 55.81 2qst s TYR 31 Cb -0.03 -0.16 -0.03 0.00 -0.11 0.00 0.00 41.96 41.63 2qst s TYR 31 CO 0.06 -0.24 -0.13 -1.54 -1.11 0.00 0.00 175.55 172.59 2qst s SER 32 N -1.58 1.48 -0.09 2.29 1.04 -0.16 -0.73 113.70 115.95 2qst s SER 32 Ca -0.14 -0.55 -0.00 0.00 0.48 0.00 0.00 55.95 55.74 2qst s SER 32 Cb -0.08 -0.05 -0.03 0.00 0.10 0.00 0.00 66.02 65.97 2qst s SER 32 CO -0.01 -0.07 -0.07 0.26 0.98 0.00 0.00 173.24 174.33 2qst s TRP 33 N -1.16 2.95 0.01 5.02 0.52 -0.63 -0.17 118.94 125.47 2qst s TRP 33 Ca -0.03 -0.10 0.05 0.00 0.02 0.00 0.00 56.10 56.05 2qst s TRP 33 Cb -0.09 -1.78 -0.02 0.00 -1.15 0.00 0.00 33.47 30.44 2qst s TRP 33 CO 0.02 0.21 -0.15 0.71 0.02 0.00 0.00 176.95 177.76 2qst s TYR 34 N -0.46 1.35 0.37 -1.98 1.51 0.09 -0.36 117.35 117.86 2qst s TYR 34 Ca 0.07 -0.29 -0.26 0.00 -1.01 0.00 0.00 57.07 55.58 2qst s TYR 34 Cb -0.12 -0.85 -0.09 0.00 -0.11 0.00 0.00 41.96 40.80 2qst s TYR 34 CO 0.02 0.00 1.12 0.21 -1.11 0.00 0.00 175.55 175.80 2qst s LYS 35 N -0.61 4.23 0.57 -0.62 2.47 -1.26 0.40 119.74 124.92 2qst s LYS 35 Ca 0.05 1.76 0.00 0.00 -1.56 0.00 0.00 55.97 56.21 2qst s LYS 35 Cb -0.06 -2.78 0.00 0.00 -1.46 0.00 0.00 37.83 33.53 2qst s LYS 35 CO 0.00 -0.14 0.00 0.41 0.16 0.00 0.00 175.35 175.78 2qst n GLY 36 N 0.69 -1.47 0.26 5.54 0.00 0.89 -4.77 105.19 106.35 2qst n GLY 36 Ca 0.03 -1.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.07 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 0.45 0.00 1.61 1.02 -1.26 -3.05 120.64 119.41 2qst n GLU 37 Ca 0.00 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2qst n GLU 37 Cb 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 2qst n GLU 37 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2qst n ARG 38 N -3.59 0.00 -2.17 3.49 0.63 -1.26 -4.85 116.66 108.91 2qst n ARG 38 Ca -0.38 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.20 2qst n ARG 38 Cb 0.81 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.75 2qst n ARG 38 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qst n ASP 40 N -0.49 0.88 -3.67 0.00 10.43 -1.26 -5.00 116.55 117.44 2qst n ASP 40 Ca 0.48 -0.77 -0.22 0.00 2.57 0.00 0.00 54.79 56.85 2qst n ASP 40 Cb 0.39 0.10 0.01 0.00 1.84 0.00 0.00 41.12 43.46 2qst n ASP 40 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2qst n GLY 41 N 1.35 -1.23 0.87 0.44 0.00 -1.26 -4.93 105.19 100.42 2qst n GLY 41 Ca 0.12 0.54 0.05 0.00 0.00 0.00 0.00 46.02 46.73 2qst n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qst n ASN 42 N -2.42 1.22 -2.10 1.61 5.15 -1.26 -5.11 115.26 112.35 2qst n ASN 42 Ca -0.22 -2.72 0.00 0.00 -0.60 0.00 0.00 54.58 51.04 2qst n ASN 42 Cb 0.64 -0.37 0.00 0.00 -0.53 0.00 0.00 39.78 39.52 2qst n ASN 42 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 2qst n ARG 43 N -0.33 -5.60 -1.85 1.20 1.85 -1.26 -4.47 116.66 106.20 2qst n ARG 43 Ca 0.10 3.97 -0.41 0.00 -1.00 0.00 0.00 57.85 60.51 2qst n ARG 43 Cb 0.87 -4.33 -0.01 0.00 -1.05 0.00 0.00 32.46 27.94 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 -0.64 4.16 -0.03 2.89 0.74 -1.26 -4.34 119.66 121.17 2qst s GLN 44 Ca 0.00 2.51 -0.01 0.00 0.05 0.00 0.00 55.36 57.91 2qst s GLN 44 Cb 0.00 -3.01 -0.00 0.00 1.10 0.00 0.00 33.01 31.10 2qst s GLN 44 CO 0.00 -0.51 0.06 0.82 -0.55 0.00 0.00 175.29 175.11 2qst h ILE 45 N 3.15 0.00 -3.30 -2.34 2.04 -0.99 0.63 117.51 116.69 2qst h ILE 45 Ca -0.49 -0.32 -0.14 0.00 1.00 0.00 0.00 64.86 64.91 2qst h ILE 45 Cb 1.23 0.00 -0.21 0.00 -0.74 0.00 0.00 36.82 37.10 2qst h ILE 45 CO 0.70 0.00 -0.41 -0.51 0.00 0.00 0.00 178.15 177.92 2qst s ILE 46 N -1.34 0.06 0.22 -0.67 2.07 -1.24 0.01 121.20 120.31 2qst s ILE 46 Ca -0.00 -0.50 0.09 0.00 -1.41 0.00 0.00 60.65 58.82 2qst s ILE 46 Cb 0.00 -0.47 -0.05 0.00 0.13 0.00 0.00 42.46 42.07 2qst s ILE 46 CO 0.01 -0.28 -0.16 -0.83 -1.91 0.00 0.00 174.94 171.78 2qst s GLY 47 N -1.11 1.52 -0.15 1.50 0.00 -0.07 -1.61 107.32 107.41 2qst s GLY 47 Ca -0.12 -1.70 -0.09 0.00 0.00 0.00 0.00 44.72 42.81 2qst s GLY 47 CO 0.02 -1.80 0.36 -0.47 0.00 0.00 0.00 173.10 171.22 2qst s TYR 48 N -2.86 -0.51 -0.23 1.90 5.04 0.09 -0.58 117.35 120.20 2qst s TYR 48 Ca 0.24 1.12 -0.11 0.00 -2.44 0.00 0.00 57.07 55.87 2qst s TYR 48 Cb -0.02 0.19 -0.05 0.00 0.35 0.00 0.00 41.96 42.44 2qst s TYR 48 CO 0.09 -0.30 0.19 0.08 -1.34 0.00 0.00 175.55 174.27 2qst s VAL 49 N 1.22 5.35 0.35 3.14 1.01 -1.26 -0.88 120.40 129.32 2qst s VAL 49 Ca -0.08 0.26 0.11 0.00 0.00 0.00 0.00 61.98 62.27 2qst s VAL 49 Cb -0.08 -3.53 0.34 0.00 0.00 0.00 0.00 36.38 33.11 2qst s VAL 49 CO -0.10 0.35 1.77 0.40 0.00 0.00 0.00 175.10 177.52 2qst h ILE 50 N 4.95 0.62 0.10 2.22 2.04 -0.83 -0.75 117.51 125.86 2qst h ILE 50 Ca -0.38 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 2qst h ILE 50 Cb 1.17 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2qst h ILE 50 CO 0.68 0.11 -0.05 1.23 0.00 0.00 0.00 178.15 180.12 2qst h GLY 51 N 0.58 -0.14 -1.62 5.37 0.00 -1.94 -3.49 103.07 101.82 2qst h GLY 51 Ca 0.59 0.05 -0.47 0.00 0.00 0.00 0.00 47.33 47.50 2qst h GLY 51 CO -0.35 -0.05 -1.15 -1.30 0.00 0.00 0.00 176.54 173.68 2qst n THR 52 N -4.89 0.00 1.28 4.70 -2.24 -0.29 -4.93 114.28 107.91 2qst n THR 52 Ca -0.08 -0.26 0.14 0.00 -2.27 0.00 0.00 64.05 61.57 2qst n THR 52 Cb 0.28 -0.55 0.54 0.00 -2.10 0.00 0.00 70.33 68.50 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 -1.57 0.53 -4.06 -0.78 3.00 -1.26 -4.94 117.38 108.30 2qst n GLN 53 Ca 0.01 -0.20 -0.10 0.00 -0.01 0.00 0.00 57.00 56.70 2qst n GLN 53 Cb 0.62 -1.50 -0.08 0.00 0.00 0.00 0.00 30.24 29.28 2qst n GLN 53 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 2qst s GLN 54 N -2.61 1.09 0.10 -1.09 -2.07 -1.26 -5.15 119.66 108.67 2qst s GLN 54 Ca 0.24 -1.33 0.07 0.00 -1.82 0.00 0.00 55.36 52.52 2qst s GLN 54 Cb 0.19 0.32 -0.04 0.00 -1.09 0.00 0.00 33.01 32.39 2qst s GLN 54 CO 0.52 -0.37 -0.09 0.00 -1.32 0.00 0.00 175.29 174.03 2qst s ALA 55 N -4.02 2.98 -0.17 2.60 0.00 -1.26 -4.42 121.76 117.46 2qst s ALA 55 Ca 0.22 -1.24 -0.06 0.00 0.00 0.00 0.00 51.96 50.89 2qst s ALA 55 Cb 0.05 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 2qst s ALA 55 CO 0.02 0.65 0.03 0.99 0.00 0.00 0.00 175.76 177.45 2qst s THR 56 N -1.23 4.45 -0.04 0.00 2.01 0.25 -4.94 115.64 116.15 2qst s THR 56 Ca 0.22 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 2qst s THR 56 Cb -0.11 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 2qst s THR 56 CO 0.14 0.47 1.05 -2.16 -0.69 0.00 0.00 174.62 173.43 2qst s PRO 57 N 0.40 4.46 0.70 4.92 0.04 -1.26 -0.89 135.00 143.36 2qst s PRO 57 Ca 0.01 1.49 -0.10 0.00 0.04 0.00 0.00 61.00 62.44 2qst s PRO 57 Cb -0.13 -3.49 0.03 0.00 0.04 0.00 0.00 34.50 30.95 2qst s PRO 57 CO 0.01 -0.23 1.06 0.20 0.04 0.00 0.00 177.00 178.08 2qst s GLY 58 N 1.12 1.62 0.63 0.56 0.00 0.10 -4.91 107.32 106.44 2qst s GLY 58 Ca 0.52 -0.54 0.34 0.00 0.00 0.00 0.00 44.72 45.04 2qst s GLY 58 CO 0.24 -0.16 2.15 -0.56 0.00 0.00 0.00 173.10 174.76 2qst h PRO 59 N -0.61 0.00 -0.01 2.90 0.13 -1.79 0.23 132.00 132.86 2qst h PRO 59 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2qst h PRO 59 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2qst h PRO 59 CO 0.63 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 2qst n ALA 60 N -2.15 2.64 -1.60 -0.56 0.00 0.20 -4.92 120.51 114.13 2qst n ALA 60 Ca -0.01 -0.29 -0.40 0.00 0.00 0.00 0.00 53.44 52.75 2qst n ALA 60 Cb 0.25 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.56 0.87 -0.38 0.00 9.36 0.80 -4.73 117.16 122.50 2qst n TYR 61 Ca 0.22 0.49 0.00 0.00 3.32 0.00 0.00 57.90 61.93 2qst n TYR 61 Cb 0.20 -2.17 0.00 0.00 -0.63 0.00 0.00 39.34 36.74 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 0.01 0.47 0.00 2.98 3.41 -1.26 -5.01 113.62 114.22 2qst n SER 62 Ca 0.11 -0.89 0.00 0.00 -0.26 0.00 0.00 58.87 57.83 2qst n SER 62 Cb 0.43 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.08 2.23 0.77 5.00 0.00 -1.26 -4.89 105.19 107.12 2qst n GLY 63 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 1.67 -4.60 1.61 1.74 -1.26 -4.99 116.66 108.84 2qst n ARG 64 Ca 0.00 -1.66 -0.32 0.00 -0.77 0.00 0.00 57.85 55.10 2qst n ARG 64 Cb 0.00 -1.37 -0.11 0.00 -1.02 0.00 0.00 32.46 29.96 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 -1.54 2.48 0.02 5.56 1.03 -1.26 -1.05 118.70 123.93 2qst s GLU 65 Ca 0.23 -0.74 0.03 0.00 0.03 0.00 0.00 54.97 54.51 2qst s GLU 65 Cb 0.16 -2.43 -0.01 0.00 -0.80 0.00 0.00 34.13 31.04 2qst s GLU 65 CO 0.24 0.60 -0.09 0.42 -1.33 0.00 0.00 175.26 175.10 2qst s ILE 66 N -0.91 0.71 -0.06 1.83 1.09 0.32 -4.99 121.20 119.19 2qst s ILE 66 Ca 0.15 -0.65 0.05 0.00 -1.10 0.00 0.00 60.65 59.10 2qst s ILE 66 Cb -0.11 -0.65 -0.01 0.00 -1.06 0.00 0.00 42.46 40.63 2qst s ILE 66 CO 0.05 0.01 -0.22 -0.51 -0.10 0.00 0.00 174.94 174.17 2qst s ILE 67 N -0.60 2.34 0.16 2.92 2.07 -1.26 -0.16 121.20 126.67 2qst s ILE 67 Ca -0.00 -0.97 0.01 0.00 -1.41 0.00 0.00 60.65 58.28 2qst s ILE 67 Cb -0.06 -1.87 -0.04 0.00 0.13 0.00 0.00 42.46 40.62 2qst s ILE 67 CO 0.00 0.57 0.31 -0.31 -1.91 0.00 0.00 174.94 173.61 2qst s TYR 68 N -0.23 3.49 0.27 3.50 2.02 0.49 -4.97 117.35 121.91 2qst s TYR 68 Ca -0.01 0.21 -0.00 0.00 -0.37 0.00 0.00 57.07 56.89 2qst s TYR 68 Cb -0.13 -1.74 0.61 0.00 -0.40 0.00 0.00 41.96 40.30 2qst s TYR 68 CO 0.03 0.48 1.69 -1.35 -1.57 0.00 0.00 175.55 174.83 2qst h PRO 69 N 2.17 0.34 0.00 -1.71 0.11 -2.00 0.47 132.00 131.39 2qst h PRO 69 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2qst h PRO 69 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2qst h PRO 69 CO 0.69 0.23 0.00 0.27 -0.21 0.00 0.00 178.00 178.98 2qst n ASN 70 N -5.09 0.00 0.00 -2.05 6.94 -1.26 -4.84 115.26 108.96 2qst n ASN 70 Ca 0.19 -0.97 0.00 0.00 -0.02 0.00 0.00 54.58 53.78 2qst n ASN 70 Cb 0.57 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 2qst n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qst n ALA 71 N -0.72 0.00 -1.69 -2.53 0.00 0.17 -4.78 120.51 110.95 2qst n ALA 71 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.10 2qst n ALA 71 Cb 0.03 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.50 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 2.30 -4.35 0.00 7.64 -1.25 -4.58 113.62 113.38 2qst n SER 72 Ca 0.00 1.05 -0.35 0.00 1.01 0.00 0.00 58.87 60.59 2qst n SER 72 Cb 0.00 -1.49 -0.14 0.00 -1.01 0.00 0.00 64.21 61.57 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 -1.90 2.95 -0.23 -3.43 2.96 -1.03 -0.38 118.68 117.62 2qst s LEU 73 Ca 0.64 -0.34 -0.09 0.00 -0.22 0.00 0.00 54.13 54.13 2qst s LEU 73 Cb -0.49 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 2qst s LEU 73 CO 0.55 0.03 0.11 -0.22 -1.32 0.00 0.00 176.35 175.51 2qst s LEU 74 N 1.18 3.82 -0.06 -0.68 2.96 0.77 -0.43 118.68 126.23 2qst s LEU 74 Ca 0.02 -0.01 0.05 0.00 -0.22 0.00 0.00 54.13 53.97 2qst s LEU 74 Cb -0.14 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 2qst s LEU 74 CO -0.01 0.05 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.24 2qst s ILE 75 N 1.12 2.51 0.34 6.68 1.01 -0.43 -0.52 121.20 131.91 2qst s ILE 75 Ca 0.06 -0.91 0.07 0.00 0.00 0.00 0.00 60.65 59.87 2qst s ILE 75 Cb -0.14 -1.95 -0.07 0.00 0.01 0.00 0.00 42.46 40.31 2qst s ILE 75 CO 0.04 0.57 -0.02 -1.10 0.00 0.00 0.00 174.94 174.43 2qst s GLN 76 N -0.31 1.75 -0.90 2.79 -0.21 -0.22 -1.32 119.66 121.25 2qst s GLN 76 Ca 0.01 -1.94 -0.07 0.00 0.02 0.00 0.00 55.36 53.38 2qst s GLN 76 Cb -0.13 -1.37 0.01 0.00 1.00 0.00 0.00 33.01 32.52 2qst s GLN 76 CO 0.02 -0.01 0.63 0.09 -2.12 0.00 0.00 175.29 173.90 2qst n ASN 77 N -0.77 -4.89 -4.77 5.90 3.02 -0.59 -4.81 115.26 108.37 2qst n ASN 77 Ca -0.05 -0.99 -0.41 0.00 -0.03 0.00 0.00 54.58 53.11 2qst n ASN 77 Cb 0.65 -1.90 -0.02 0.00 -0.61 0.00 0.00 39.78 37.90 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 -3.10 2.65 0.33 2.41 -1.09 -0.44 -4.77 121.20 117.19 2qst s ILE 78 Ca 0.10 0.63 0.08 0.00 -2.23 0.00 0.00 60.65 59.23 2qst s ILE 78 Cb -0.05 -3.40 -0.04 0.00 -1.58 0.00 0.00 42.46 37.39 2qst s ILE 78 CO 0.90 0.14 0.12 0.27 -1.23 0.00 0.00 174.94 175.14 2qst s ILE 79 N -0.90 3.09 0.56 2.92 -4.36 -1.26 -0.81 121.20 120.44 2qst s ILE 79 Ca 0.51 -1.73 0.25 0.00 -0.26 0.00 0.00 60.65 59.43 2qst s ILE 79 Cb -0.41 -2.96 0.36 0.00 1.25 0.00 0.00 42.46 40.70 2qst s ILE 79 CO 0.52 -0.21 2.06 1.56 0.24 0.00 0.00 174.94 179.11 2qst h GLN 80 N 1.60 0.00 0.00 0.37 1.08 -1.97 -1.56 115.11 114.64 2qst h GLN 80 Ca -0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 2qst h GLN 80 Cb 1.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 2qst h GLN 80 CO 0.63 0.00 0.00 -0.97 -0.95 0.00 0.00 178.83 177.54 2qst h ASN 81 N 0.00 0.00 0.40 1.46 -1.24 -2.00 -2.63 115.58 111.58 2qst h ASN 81 Ca 0.13 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.11 2qst h ASN 81 Cb 0.61 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.66 2qst h ASN 81 CO -0.00 0.00 -0.17 0.44 -1.29 0.00 0.00 177.43 176.41 2qst h ASP 82 N 0.00 0.00 -4.01 1.15 3.32 -1.68 -3.46 116.42 111.74 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 0.40 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.07 2qst h ASP 82 CO 0.00 0.17 0.69 0.00 -1.72 0.00 0.00 179.24 178.38 2qst n ALA 83 N -2.33 1.96 0.00 3.45 0.00 -0.99 -4.88 120.51 117.72 2qst n ALA 83 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2qst n ALA 83 Cb 0.28 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.34 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 0.61 0.94 3.85 0.00 0.00 -0.45 -5.00 105.19 105.15 2qst n GLY 84 Ca 0.07 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.47 3.45 -0.02 1.61 0.40 -1.26 -2.35 117.98 117.35 2qst s PHE 85 Ca 0.00 1.32 0.00 0.00 -0.60 0.00 0.00 56.93 57.65 2qst s PHE 85 Cb 0.00 -2.67 0.02 0.00 0.51 0.00 0.00 43.02 40.89 2qst s PHE 85 CO 0.00 -0.25 0.02 0.71 0.70 0.00 0.00 175.22 176.41 2qst s TYR 86 N -2.49 0.03 -0.13 0.36 1.51 0.66 -0.07 117.35 117.22 2qst s TYR 86 Ca 0.56 0.11 0.03 0.00 -1.01 0.00 0.00 57.07 56.76 2qst s TYR 86 Cb -0.10 -0.20 0.01 0.00 -0.11 0.00 0.00 41.96 41.56 2qst s TYR 86 CO 0.30 -0.07 -0.22 0.99 -1.11 0.00 0.00 175.55 175.43 2qst s THR 87 N 0.88 2.11 -0.24 -0.71 2.01 0.16 -1.59 115.64 118.27 2qst s THR 87 Ca -0.07 -0.98 -0.13 0.00 0.31 0.00 0.00 61.69 60.82 2qst s THR 87 Cb -0.11 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 2qst s THR 87 CO -0.02 0.55 0.29 -0.22 -0.69 0.00 0.00 174.62 174.52 2qst s LEU 88 N 0.64 4.10 -0.24 4.42 2.96 -0.36 -0.74 118.68 129.46 2qst s LEU 88 Ca -0.11 0.26 -0.15 0.00 -0.22 0.00 0.00 54.13 53.91 2qst s LEU 88 Cb -0.16 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 2qst s LEU 88 CO 0.02 -0.05 0.36 -1.00 -1.32 0.00 0.00 176.35 174.36 2qst s HIS 89 N 1.47 3.30 -0.28 5.38 3.76 0.76 -2.80 115.29 126.89 2qst s HIS 89 Ca 0.13 0.47 -0.10 0.00 -0.15 0.00 0.00 55.06 55.41 2qst s HIS 89 Cb -0.15 -2.52 -0.04 0.00 1.11 0.00 0.00 32.58 30.99 2qst s HIS 89 CO 0.08 -0.11 0.15 0.14 -0.85 0.00 0.00 174.74 174.15 2qst s VAL 90 N 1.65 4.94 -0.41 -0.90 -7.23 -0.62 -0.99 120.40 116.85 2qst s VAL 90 Ca 0.16 -0.02 -0.19 0.00 -1.81 0.00 0.00 61.98 60.12 2qst s VAL 90 Cb -0.15 -3.37 0.02 0.00 0.56 0.00 0.00 36.38 33.43 2qst s VAL 90 CO 0.08 0.24 0.53 -0.63 -0.31 0.00 0.00 175.10 175.01 2qst s ILE 91 N 1.70 4.98 0.51 -0.62 -1.09 0.17 -1.57 121.20 125.27 2qst s ILE 91 Ca 0.07 -0.01 -0.14 0.00 -2.23 0.00 0.00 60.65 58.34 2qst s ILE 91 Cb -0.16 -4.07 -0.07 0.00 -1.58 0.00 0.00 42.46 36.58 2qst s ILE 91 CO 0.08 -0.43 0.94 -0.54 -1.23 0.00 0.00 174.94 173.77 2qst s LYS 92 N 2.44 3.84 0.62 2.79 1.02 -1.24 -0.47 119.74 128.74 2qst s LYS 92 Ca 0.17 0.79 0.33 0.00 0.02 0.00 0.00 55.97 57.29 2qst s LYS 92 Cb -0.16 -2.19 1.90 0.00 -0.52 0.00 0.00 37.83 36.87 2qst s LYS 92 CO 0.15 -0.27 2.18 0.66 -0.92 0.00 0.00 175.35 177.15 2qst h SER 93 N 0.75 0.00 -0.55 2.83 4.64 -0.87 0.17 113.55 120.52 2qst h SER 93 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2qst h SER 93 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2qst h SER 93 CO 0.62 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.68 2qst n ASP 94 N -3.48 4.76 0.00 4.97 3.85 -1.26 -4.93 116.55 120.46 2qst n ASP 94 Ca -0.01 -2.61 0.00 0.00 -0.71 0.00 0.00 54.79 51.46 2qst n ASP 94 Cb 0.22 -0.61 0.00 0.00 -1.35 0.00 0.00 41.12 39.38 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 0.78 0.73 -4.55 -2.12 4.32 0.61 -4.94 117.00 111.83 2qst n LEU 95 Ca 0.24 0.00 -0.38 0.00 -0.02 0.00 0.00 56.01 55.85 2qst n LEU 95 Cb 0.95 -1.13 -0.03 0.00 -1.62 0.00 0.00 43.42 41.59 2qst n LEU 95 CO 0.25 -0.38 1.57 -0.69 -1.22 0.00 0.00 177.39 176.92 2qst s VAL 96 N -1.80 3.39 -0.04 4.08 1.01 -1.26 -4.80 120.40 120.97 2qst s VAL 96 Ca 0.00 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.97 2qst s VAL 96 Cb 0.00 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 2qst s VAL 96 CO 0.00 -0.99 0.59 0.54 0.00 0.00 0.00 175.10 175.25 2qst s ASN 97 N 7.77 6.92 0.57 3.32 6.03 -1.26 -3.72 114.94 134.57 2qst s ASN 97 Ca 0.65 1.10 0.03 0.00 -1.03 0.00 0.00 52.86 53.61 2qst s ASN 97 Cb -0.12 -2.36 0.06 0.00 -3.03 0.00 0.00 41.25 35.80 2qst s ASN 97 CO 0.19 0.04 0.79 -1.61 -2.03 0.00 0.00 177.10 174.48 2qst s GLU 98 N 0.16 2.35 -0.28 3.55 2.02 -0.61 -4.94 118.70 120.96 2qst s GLU 98 Ca 0.31 -1.09 -0.19 0.00 0.02 0.00 0.00 54.97 54.02 2qst s GLU 98 Cb -0.17 -2.53 0.08 0.00 0.10 0.00 0.00 34.13 31.60 2qst s GLU 98 CO 0.16 -0.83 0.71 -2.00 0.02 0.00 0.00 175.26 173.33 2qst s GLU 99 N -4.76 0.74 0.05 1.61 2.12 -1.26 -1.58 118.70 115.62 2qst s GLU 99 Ca 0.60 1.13 0.03 0.00 0.36 0.00 0.00 54.97 57.08 2qst s GLU 99 Cb -0.08 0.23 -0.03 0.00 0.26 0.00 0.00 34.13 34.51 2qst s GLU 99 CO 0.39 -0.13 -0.09 0.00 -0.54 0.00 0.00 175.26 174.89 2qst s ALA 100 N 1.20 0.69 -0.03 6.30 0.00 -1.12 -4.96 121.76 123.84 2qst s ALA 100 Ca -0.06 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.10 2qst s ALA 100 Cb -0.05 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2qst s ALA 100 CO -0.13 0.00 -0.16 0.99 0.00 0.00 0.00 175.76 176.46 2qst s THR 101 N -1.47 1.33 0.03 0.00 2.01 -1.26 -1.22 115.64 115.06 2qst s THR 101 Ca -0.08 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.25 2qst s THR 101 Cb -0.09 -1.14 -0.00 0.00 0.01 0.00 0.00 72.50 71.28 2qst s THR 101 CO 0.00 0.38 0.01 0.61 -0.69 0.00 0.00 174.62 174.94 2qst n GLY 102 N 3.03 4.05 3.59 4.40 0.00 -0.62 -4.59 105.19 115.05 2qst n GLY 102 Ca -0.17 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 43.80 2qst n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qst s GLN 103 N -2.12 1.48 0.12 1.61 -2.07 -1.26 -0.24 119.66 117.18 2qst s GLN 103 Ca 0.01 -1.01 -0.15 0.00 -1.82 0.00 0.00 55.36 52.40 2qst s GLN 103 Cb 0.00 0.51 0.03 0.00 -1.09 0.00 0.00 33.01 32.47 2qst s GLN 103 CO 0.01 -0.63 0.38 -0.59 -1.32 0.00 0.00 175.29 173.14 2qst s PHE 104 N -3.93 -0.15 0.23 9.60 -0.71 -0.99 -4.49 117.98 117.54 2qst s PHE 104 Ca 0.14 -0.18 0.09 0.00 -1.04 0.00 0.00 56.93 55.94 2qst s PHE 104 Cb -0.02 0.22 -0.05 0.00 -1.21 0.00 0.00 43.02 41.97 2qst s PHE 104 CO 0.02 -0.69 -0.17 1.03 -1.34 0.00 0.00 175.22 174.07 2qst s ARG 105 N -3.82 1.45 -0.04 1.99 3.00 0.97 -1.34 118.95 121.16 2qst s ARG 105 Ca 0.04 -1.63 0.05 0.00 0.00 0.00 0.00 55.73 54.18 2qst s ARG 105 Cb 0.02 -1.37 -0.02 0.00 0.00 0.00 0.00 34.95 33.58 2qst s ARG 105 CO -0.11 0.25 -0.20 0.08 0.00 0.00 0.00 175.30 175.32 2qst s VAL 106 N -2.71 2.59 0.06 3.52 1.01 -1.26 -0.55 120.40 123.06 2qst s VAL 106 Ca 0.24 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.39 2qst s VAL 106 Cb -0.03 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 2qst s VAL 106 CO 0.10 0.58 -0.17 -0.72 0.00 0.00 0.00 175.10 174.89 2qst s TYR 107 N -0.60 1.45 0.59 5.22 -0.85 -0.48 -4.93 117.35 117.75 2qst s TYR 107 Ca 0.09 -0.39 -0.07 0.00 -0.52 0.00 0.00 57.07 56.17 2qst s TYR 107 Cb -0.11 -0.84 -0.00 0.00 0.38 0.00 0.00 41.96 41.39 2qst s TYR 107 CO 0.00 0.08 0.93 -1.25 -1.52 0.00 0.00 175.55 173.79 2qst s PRO 108 N -1.42 3.08 0.10 -3.49 0.04 -1.26 -0.99 135.00 131.05 2qst s PRO 108 Ca 0.03 0.17 0.02 0.00 0.04 0.00 0.00 61.00 61.26 2qst s PRO 108 Cb -0.09 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 2qst s PRO 108 CO 0.02 -0.66 -0.07 -1.21 0.04 0.00 0.00 177.00 175.12 2qst s GLU 109 N -5.03 0.82 0.00 4.56 2.02 -1.26 -4.89 118.70 114.92 2qst s GLU 109 Ca 0.54 -1.26 0.00 0.00 0.02 0.00 0.00 54.97 54.26 2qst s GLU 109 Cb -0.11 -0.27 0.00 0.00 0.10 0.00 0.00 34.13 33.85 2qst s GLU 109 CO 0.47 0.00 0.00 1.28 0.02 0.00 0.00 175.26 177.03