#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qab n PRO 2 N 0.00 -0.40 -4.05 1.61 -0.04 -1.26 -5.00 135.00 125.87 1qab n PRO 2 Ca 0.00 -0.09 -0.30 0.00 -0.04 0.00 0.00 63.50 63.07 1qab n PRO 2 Cb 0.00 -1.65 -0.06 0.00 -0.04 0.00 0.00 33.50 31.75 1qab n PRO 2 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1qab s THR 3 N -2.29 4.56 -0.23 0.52 -4.23 -1.26 -4.75 115.64 107.96 1qab s THR 3 Ca 0.53 -0.78 -0.08 0.00 -1.18 0.00 0.00 61.69 60.19 1qab s THR 3 Cb -0.18 -3.21 0.01 0.00 1.34 0.00 0.00 72.50 70.46 1qab s THR 3 CO 0.70 0.11 0.29 0.61 -0.54 0.00 0.00 174.62 175.79 1qab n GLY 4 N 0.39 -1.34 3.04 3.99 0.00 -1.26 -5.08 105.19 104.94 1qab n GLY 4 Ca -0.08 0.60 -0.08 0.00 0.00 0.00 0.00 46.02 46.45 1qab n GLY 4 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1qab s THR 5 N -1.78 0.22 0.00 2.61 -1.32 -1.26 -5.15 115.64 108.96 1qab s THR 5 Ca 0.12 -1.37 0.00 0.00 -1.21 0.00 0.00 61.69 59.23 1qab s THR 5 Cb -0.03 -0.91 0.00 0.00 -1.51 0.00 0.00 72.50 70.04 1qab s THR 5 CO 0.43 -0.73 0.00 0.61 -2.21 0.00 0.00 174.62 172.72 1qab n GLY 6 N 0.85 1.02 3.93 6.08 0.00 -1.26 -5.16 105.19 110.65 1qab n GLY 6 Ca -0.19 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 1qab n GLY 6 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qab s GLU 7 N 0.09 1.60 -0.54 1.61 2.12 -1.26 -5.02 118.70 117.29 1qab s GLU 7 Ca 0.00 -0.34 0.06 0.00 0.36 0.00 0.00 54.97 55.05 1qab s GLU 7 Cb 0.00 -2.05 0.35 0.00 0.26 0.00 0.00 34.13 32.69 1qab s GLU 7 CO 0.00 -1.70 0.94 -1.13 -0.54 0.00 0.00 175.26 172.82 1qab n SER 8 N -3.25 4.09 -4.19 -1.70 3.41 -1.26 -4.97 113.62 105.74 1qab n SER 8 Ca 0.11 -3.61 -0.41 0.00 -0.26 0.00 0.00 58.87 54.71 1qab n SER 8 Cb 0.60 -0.56 -0.07 0.00 -0.26 0.00 0.00 64.21 63.92 1qab n SER 8 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1qab s LYS 9 N -3.37 2.89 0.00 4.33 2.20 -1.26 -5.00 119.74 119.53 1qab s LYS 9 Ca 0.48 -2.36 0.00 0.00 -0.36 0.00 0.00 55.97 53.73 1qab s LYS 9 Cb 0.30 -4.00 0.00 0.00 -1.51 0.00 0.00 37.83 32.62 1qab s LYS 9 CO -0.14 -1.22 0.00 0.00 -0.36 0.00 0.00 175.35 173.64 1qab h PRO 11 N 0.00 -0.06 -6.07 0.00 0.13 -1.91 -3.46 132.00 120.63 1qab h PRO 11 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.60 1qab h PRO 11 Cb 0.00 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.12 1qab h PRO 11 CO 0.00 0.46 -0.47 -1.17 -0.23 0.00 0.00 178.00 176.59 1qab s LEU 12 N -9.11 4.30 -0.30 1.56 2.96 -1.26 -1.16 118.68 115.68 1qab s LEU 12 Ca -0.16 0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 53.83 1qab s LEU 12 Cb 0.01 -2.87 0.18 0.00 0.50 0.00 0.00 46.19 44.01 1qab s LEU 12 CO 0.64 0.04 0.80 -0.04 -1.32 0.00 0.00 176.35 176.47 1qab s MET 13 N -3.28 0.40 0.23 1.98 -1.94 -0.80 -4.64 119.30 111.25 1qab s MET 13 Ca 0.34 0.74 -0.13 0.00 -1.71 0.00 0.00 55.69 54.93 1qab s MET 13 Cb -0.11 0.42 -0.08 0.00 2.01 0.00 0.00 34.83 37.07 1qab s MET 13 CO 0.28 -0.40 0.61 0.08 -0.01 0.00 0.00 175.02 175.58 1qab s VAL 14 N 2.87 4.82 -0.17 -6.03 1.01 -1.24 -1.23 120.40 120.43 1qab s VAL 14 Ca 0.10 0.76 -0.05 0.00 0.00 0.00 0.00 61.98 62.78 1qab s VAL 14 Cb -0.12 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.66 1qab s VAL 14 CO -0.17 0.02 0.32 -0.75 0.00 0.00 0.00 175.10 174.52 1qab s LYS 15 N -2.53 0.22 -0.06 2.72 2.20 0.66 -2.41 119.74 120.54 1qab s LYS 15 Ca 0.46 0.80 0.03 0.00 -0.36 0.00 0.00 55.97 56.89 1qab s LYS 15 Cb -0.13 -0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.16 1qab s LYS 15 CO 0.20 -0.32 -0.13 0.08 -0.36 0.00 0.00 175.35 174.81 1qab s VAL 16 N 2.49 3.15 0.21 4.02 1.01 0.16 0.38 120.40 131.81 1qab s VAL 16 Ca 0.02 -0.68 0.11 0.00 0.00 0.00 0.00 61.98 61.43 1qab s VAL 16 Cb -0.12 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1qab s VAL 16 CO -0.11 0.58 -0.23 -0.76 0.00 0.00 0.00 175.10 174.59 1qab s LEU 17 N -0.62 2.46 -0.40 3.92 1.43 -0.06 0.94 118.68 126.35 1qab s LEU 17 Ca 0.09 -0.90 -0.09 0.00 -1.03 0.00 0.00 54.13 52.20 1qab s LEU 17 Cb -0.11 -1.14 0.07 0.00 0.03 0.00 0.00 46.19 45.04 1qab s LEU 17 CO 0.01 0.10 0.24 -0.62 0.23 0.00 0.00 176.35 176.31 1qab s ASP 18 N -2.82 5.61 0.53 2.29 -1.08 0.25 -0.59 116.67 120.86 1qab s ASP 18 Ca 0.22 -1.41 0.28 0.00 -0.52 0.00 0.00 52.55 51.12 1qab s ASP 18 Cb -0.07 -1.98 1.48 0.00 -1.46 0.00 0.00 42.92 40.89 1qab s ASP 18 CO 0.11 -0.50 2.09 0.00 0.52 0.00 0.00 175.17 177.39 1qab h ALA 19 N 8.38 1.29 0.02 3.66 0.00 -0.18 -0.42 119.26 132.02 1qab h ALA 19 Ca -0.23 -0.10 -0.31 0.00 0.00 0.00 0.00 54.91 54.27 1qab h ALA 19 Cb 1.08 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1qab h ALA 19 CO 0.73 0.13 -1.81 0.28 0.00 0.00 0.00 179.25 178.58 1qab n VAL 20 N -3.64 1.63 0.51 0.00 0.31 -1.26 -4.41 118.33 111.48 1qab n VAL 20 Ca -0.02 -0.77 0.06 0.00 -0.01 0.00 0.00 64.34 63.60 1qab n VAL 20 Cb 0.23 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 1qab n VAL 20 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1qab n ARG 21 N -3.12 1.93 -3.30 5.55 3.00 -1.22 -5.01 116.66 114.49 1qab n ARG 21 Ca -0.21 -0.68 -0.17 0.00 -0.01 0.00 0.00 57.85 56.79 1qab n ARG 21 Cb 1.06 -1.14 0.07 0.00 0.00 0.00 0.00 32.46 32.45 1qab n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1qab n GLY 22 N 0.95 -0.27 3.18 -0.13 0.00 -0.17 -5.02 105.19 103.73 1qab n GLY 22 Ca 0.05 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 1qab n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qab s SER 23 N -3.79 0.75 0.34 1.61 1.04 -1.22 -4.95 113.70 107.47 1qab s SER 23 Ca 0.21 -1.15 -0.26 0.00 0.48 0.00 0.00 55.95 55.22 1qab s SER 23 Cb -0.09 0.20 -0.09 0.00 0.10 0.00 0.00 66.02 66.14 1qab s SER 23 CO 0.62 -0.63 1.01 -2.16 0.98 0.00 0.00 173.24 173.06 1qab s PRO 24 N -3.96 4.46 -0.27 4.02 0.04 -1.26 0.87 135.00 138.89 1qab s PRO 24 Ca 0.21 1.49 -0.29 0.00 0.04 0.00 0.00 61.00 62.46 1qab s PRO 24 Cb 0.07 -2.81 -0.02 0.00 0.04 0.00 0.00 34.50 31.78 1qab s PRO 24 CO 0.01 0.13 1.57 0.00 0.04 0.00 0.00 177.00 178.74 1qab s ALA 25 N -1.52 3.20 -0.08 8.56 0.00 0.27 -4.74 121.76 127.46 1qab s ALA 25 Ca 0.51 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.79 1qab s ALA 25 Cb -0.23 -3.87 -0.03 0.00 0.00 0.00 0.00 23.12 18.99 1qab s ALA 25 CO 0.29 -2.07 -0.08 -1.50 0.00 0.00 0.00 175.76 172.39 1qab s ILE 26 N 5.33 3.55 -0.57 0.00 2.07 -1.26 -3.80 121.20 126.52 1qab s ILE 26 Ca 0.69 -0.53 -0.02 0.00 -1.41 0.00 0.00 60.65 59.38 1qab s ILE 26 Cb -0.22 -2.45 -0.02 0.00 0.13 0.00 0.00 42.46 39.89 1qab s ILE 26 CO 0.29 0.58 0.50 0.59 -1.91 0.00 0.00 174.94 174.99 1qab n ASN 27 N 2.50 -3.67 -4.36 4.50 5.03 0.98 -4.93 115.26 115.31 1qab n ASN 27 Ca -0.18 -0.36 -0.32 0.00 0.87 0.00 0.00 54.58 54.59 1qab n ASN 27 Cb 0.53 -2.96 -0.15 0.00 -1.02 0.00 0.00 39.78 36.18 1qab n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1qab s VAL 28 N -3.20 2.67 0.19 2.41 1.01 -1.26 -4.82 120.40 117.40 1qab s VAL 28 Ca 0.16 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 1qab s VAL 28 Cb -0.02 -2.04 -0.08 0.00 0.00 0.00 0.00 36.38 34.24 1qab s VAL 28 CO 0.39 0.56 0.97 0.00 0.00 0.00 0.00 175.10 177.02 1qab s ALA 29 N -0.17 3.31 -0.18 5.51 0.00 -1.26 -1.88 121.76 127.08 1qab s ALA 29 Ca -0.02 0.64 -0.05 0.00 0.00 0.00 0.00 51.96 52.53 1qab s ALA 29 Cb -0.14 -3.25 0.06 0.00 0.00 0.00 0.00 23.12 19.80 1qab s ALA 29 CO 0.03 0.07 0.10 0.08 0.00 0.00 0.00 175.76 176.05 1qab s VAL 30 N -0.70 -0.10 -0.12 0.00 1.01 0.26 -2.90 120.40 117.84 1qab s VAL 30 Ca 0.44 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 1qab s VAL 30 Cb -0.26 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1qab s VAL 30 CO 0.32 -0.31 0.06 -1.00 0.00 0.00 0.00 175.10 174.17 1qab s HIS 31 N 2.15 3.32 -0.03 5.22 3.76 -1.04 -2.55 115.29 126.12 1qab s HIS 31 Ca 0.03 0.28 0.06 0.00 -0.15 0.00 0.00 55.06 55.28 1qab s HIS 31 Cb -0.16 -1.90 -0.02 0.00 1.11 0.00 0.00 32.58 31.61 1qab s HIS 31 CO -0.11 0.50 -0.21 0.08 -0.85 0.00 0.00 174.74 174.14 1qab s VAL 32 N -0.69 2.48 0.08 -0.90 1.01 0.99 -1.97 120.40 121.39 1qab s VAL 32 Ca 0.12 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.18 1qab s VAL 32 Cb -0.12 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1qab s VAL 32 CO 0.02 0.57 -0.12 -0.36 0.00 0.00 0.00 175.10 175.22 1qab s PHE 33 N -0.67 1.13 -0.18 5.22 2.99 -0.86 0.43 117.98 126.04 1qab s PHE 33 Ca 0.11 -0.52 0.01 0.00 0.00 0.00 0.00 56.93 56.52 1qab s PHE 33 Cb -0.10 -0.63 0.03 0.00 0.00 0.00 0.00 43.02 42.32 1qab s PHE 33 CO -0.00 0.04 -0.15 0.50 -0.00 0.00 0.00 175.22 175.60 1qab s ARG 34 N -2.09 2.48 0.11 0.44 3.52 -0.70 0.15 118.95 122.86 1qab s ARG 34 Ca 0.00 -0.79 -0.34 0.00 -0.13 0.00 0.00 55.73 54.47 1qab s ARG 34 Cb -0.08 -2.41 -0.18 0.00 -1.56 0.00 0.00 34.95 30.72 1qab s ARG 34 CO 0.02 -0.30 0.92 1.17 -0.81 0.00 0.00 175.30 176.29 1qab n LYS 35 N 4.67 0.32 -2.35 5.12 4.81 -1.12 -2.82 118.16 126.79 1qab n LYS 35 Ca -0.18 0.11 -0.25 0.00 -0.87 0.00 0.00 58.31 57.13 1qab n LYS 35 Cb 0.48 -1.45 0.08 0.00 0.02 0.00 0.00 35.03 34.16 1qab n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qab s ALA 36 N -0.37 3.34 0.04 3.14 0.00 0.37 -4.81 121.76 123.46 1qab s ALA 36 Ca 0.77 -1.19 0.29 0.00 0.00 0.00 0.00 51.96 51.83 1qab s ALA 36 Cb -1.05 -2.39 1.54 0.00 0.00 0.00 0.00 23.12 21.22 1qab s ALA 36 CO 0.55 -1.31 1.88 0.00 0.00 0.00 0.00 175.76 176.88 1qab h ALA 37 N -0.53 1.00 -1.55 0.00 0.00 -1.91 -2.77 119.26 113.51 1qab h ALA 37 Ca -0.42 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 53.89 1qab h ALA 37 Cb 1.30 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.67 1qab h ALA 37 CO 0.53 0.00 -0.69 -0.40 0.00 0.00 0.00 179.25 178.68 1qab n ASP 38 N -2.52 4.75 -1.45 0.00 5.68 -1.26 -4.92 116.55 116.84 1qab n ASP 38 Ca -0.02 -3.72 -0.08 0.00 -0.50 0.00 0.00 54.79 50.48 1qab n ASP 38 Cb 0.06 -0.48 -0.03 0.00 -1.14 0.00 0.00 41.12 39.54 1qab n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1qab n ASP 39 N -0.47 -2.15 -4.50 -1.12 -0.08 -1.04 -4.89 116.55 102.29 1qab n ASP 39 Ca 0.39 0.21 -0.34 0.00 -1.51 0.00 0.00 54.79 53.54 1qab n ASP 39 Cb 0.64 -2.15 -0.12 0.00 2.34 0.00 0.00 41.12 41.83 1qab n ASP 39 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1qab s THR 40 N -1.78 4.04 -0.02 5.18 -1.32 -1.26 -4.79 115.64 115.68 1qab s THR 40 Ca 0.00 -0.30 -0.30 0.00 -1.21 0.00 0.00 61.69 59.88 1qab s THR 40 Cb 0.00 -2.80 -0.05 0.00 -1.51 0.00 0.00 72.50 68.15 1qab s THR 40 CO 0.00 0.47 1.36 0.26 -2.21 0.00 0.00 174.62 174.50 1qab s TRP 41 N 0.57 2.88 0.08 9.09 0.52 -1.26 0.14 118.94 130.96 1qab s TRP 41 Ca -0.01 0.88 0.05 0.00 0.02 0.00 0.00 56.10 57.04 1qab s TRP 41 Cb -0.14 -3.61 -0.04 0.00 -1.15 0.00 0.00 33.47 28.53 1qab s TRP 41 CO 0.02 -2.23 -0.02 -1.21 0.02 0.00 0.00 176.95 173.54 1qab s GLU 42 N 2.51 2.50 0.24 4.98 0.41 -1.13 -4.92 118.70 123.30 1qab s GLU 42 Ca 0.62 -0.84 -0.30 0.00 -0.41 0.00 0.00 54.97 54.04 1qab s GLU 42 Cb -0.29 -2.51 -0.09 0.00 -1.78 0.00 0.00 34.13 29.45 1qab s GLU 42 CO 0.25 0.54 1.19 -2.14 -0.49 0.00 0.00 175.26 174.62 1qab s PRO 43 N -2.19 4.51 0.00 0.39 0.02 -1.26 -1.73 135.00 134.74 1qab s PRO 43 Ca 0.24 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.19 1qab s PRO 43 Cb -0.12 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.21 1qab s PRO 43 CO 0.17 -0.02 0.00 0.34 -0.33 0.00 0.00 177.00 177.15 1qab n PHE 44 N 1.81 0.00 -3.96 6.54 7.35 1.48 -4.79 117.46 125.89 1qab n PHE 44 Ca 0.02 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.48 1qab n PHE 44 Cb 0.44 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 40.10 1qab n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1qab s ALA 45 N -2.52 0.85 0.34 3.13 0.00 -1.04 -4.90 121.76 117.61 1qab s ALA 45 Ca 0.00 -0.21 0.05 0.00 0.00 0.00 0.00 51.96 51.80 1qab s ALA 45 Cb 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1qab s ALA 45 CO 0.00 -0.28 0.49 0.45 0.00 0.00 0.00 175.76 176.42 1qab s SER 46 N 1.51 6.02 0.00 0.00 0.15 -1.26 -0.01 113.70 120.12 1qab s SER 46 Ca -0.01 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1qab s SER 46 Cb -0.13 -1.42 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 1qab s SER 46 CO -0.04 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.60 1qab n GLY 47 N -1.69 3.59 3.53 9.45 0.00 -1.06 -4.96 105.19 114.06 1qab n GLY 47 Ca -0.02 -1.07 -0.25 0.00 0.00 0.00 0.00 46.02 44.69 1qab n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qab s LYS 48 N -2.34 1.84 0.21 1.61 1.02 -1.26 -0.58 119.74 120.25 1qab s LYS 48 Ca 0.00 -1.79 -0.23 0.00 0.02 0.00 0.00 55.97 53.97 1qab s LYS 48 Cb 0.00 -1.81 -0.08 0.00 -0.52 0.00 0.00 37.83 35.42 1qab s LYS 48 CO 0.00 0.25 0.78 0.95 -0.92 0.00 0.00 175.35 176.41 1qab s THR 49 N -2.52 4.42 0.00 2.17 -4.23 -0.79 -4.68 115.64 110.00 1qab s THR 49 Ca 0.32 1.56 0.00 0.00 -1.18 0.00 0.00 61.69 62.39 1qab s THR 49 Cb -0.02 -4.01 0.00 0.00 1.34 0.00 0.00 72.50 69.81 1qab s THR 49 CO 0.17 0.34 0.00 -1.54 -0.54 0.00 0.00 174.62 173.04 1qab n SER 50 N 1.08 0.00 0.15 3.99 3.41 -0.87 -0.02 113.62 121.37 1qab n SER 50 Ca -0.03 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.61 1qab n SER 50 Cb 0.50 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.59 1qab n SER 50 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1qab h GLU 51 N 0.00 0.00 -0.12 4.33 4.81 -1.92 -3.16 114.58 118.52 1qab h GLU 51 Ca 0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1qab h GLU 51 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1qab h GLU 51 CO 0.00 0.51 -0.58 0.66 -0.73 0.00 0.00 179.01 178.87 1qab h SER 52 N 0.00 0.44 0.00 1.04 4.64 -1.90 -3.46 113.55 114.32 1qab h SER 52 Ca -0.01 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1qab h SER 52 Cb 1.22 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1qab h SER 52 CO 0.07 0.93 0.00 0.61 -0.87 0.00 0.00 176.83 177.56 1qab n GLY 53 N 0.26 0.97 3.37 -0.77 0.00 -1.19 -4.67 105.19 103.16 1qab n GLY 53 Ca -0.03 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1qab n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qab s GLU 54 N -0.49 2.78 -0.26 1.61 2.02 -1.26 -0.67 118.70 122.42 1qab s GLU 54 Ca 0.00 -0.77 -0.02 0.00 0.02 0.00 0.00 54.97 54.21 1qab s GLU 54 Cb 0.00 -2.38 0.03 0.00 0.10 0.00 0.00 34.13 31.88 1qab s GLU 54 CO 0.00 0.42 -0.05 -1.17 0.02 0.00 0.00 175.26 174.49 1qab s LEU 55 N -0.22 3.36 0.23 1.80 0.20 -1.01 -2.05 118.68 120.98 1qab s LEU 55 Ca -0.00 -0.96 0.07 0.00 0.69 0.00 0.00 54.13 53.92 1qab s LEU 55 Cb -0.13 -1.68 -0.04 0.00 -0.43 0.00 0.00 46.19 43.91 1qab s LEU 55 CO 0.03 -0.16 0.13 -1.00 -0.29 0.00 0.00 176.35 175.06 1qab s HIS 56 N 1.31 3.02 -0.55 5.38 3.76 -1.26 -3.64 115.29 123.30 1qab s HIS 56 Ca -0.01 -0.11 -0.14 0.00 -0.15 0.00 0.00 55.06 54.65 1qab s HIS 56 Cb -0.17 -1.39 0.02 0.00 1.11 0.00 0.00 32.58 32.15 1qab s HIS 56 CO -0.04 0.54 0.64 0.41 -0.85 0.00 0.00 174.74 175.44 1qab n GLY 57 N -0.82 -1.06 0.00 -2.22 0.00 -1.26 -4.92 105.19 94.91 1qab n GLY 57 Ca -0.08 0.98 0.04 0.00 0.00 0.00 0.00 46.02 46.96 1qab n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qab n LEU 58 N -0.89 0.29 0.00 0.99 4.77 -1.26 -5.06 117.00 115.84 1qab n LEU 58 Ca 0.01 -0.39 -0.02 0.00 -0.03 0.00 0.00 56.01 55.59 1qab n LEU 58 Cb 0.53 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.64 1qab n LEU 58 CO 0.52 0.07 0.77 1.07 -1.33 0.00 0.00 177.39 178.49 1qab n THR 59 N -1.32 0.00 -4.40 -5.08 5.66 -1.26 -4.63 114.28 103.25 1qab n THR 59 Ca 0.01 -0.43 -0.20 0.00 -3.05 0.00 0.00 64.05 60.38 1qab n THR 59 Cb 0.14 0.65 -0.10 0.00 -1.55 0.00 0.00 70.33 69.47 1qab n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1qab s THR 60 N -2.10 1.54 0.08 1.09 -4.23 -1.26 -4.79 115.64 105.97 1qab s THR 60 Ca 0.22 -2.12 -0.35 0.00 -1.18 0.00 0.00 61.69 58.25 1qab s THR 60 Cb -0.02 -2.37 -0.17 0.00 1.34 0.00 0.00 72.50 71.28 1qab s THR 60 CO 0.04 -0.35 1.58 -0.33 -0.54 0.00 0.00 174.62 175.01 1qab h GLU 61 N 2.36 -0.99 -0.31 3.99 5.08 -1.93 0.35 114.58 123.13 1qab h GLU 61 Ca -0.39 0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.07 1qab h GLU 61 Cb 1.23 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 30.67 1qab h GLU 61 CO 0.66 -0.66 0.08 1.49 -1.00 0.00 0.00 179.01 179.58 1qab h GLU 62 N -1.02 0.19 0.00 2.33 4.57 -1.99 -1.95 114.58 116.70 1qab h GLU 62 Ca -0.07 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1qab h GLU 62 Cb 0.86 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.41 1qab h GLU 62 CO 0.00 0.13 -0.06 0.37 -1.18 0.00 0.00 179.01 178.27 1qab h GLN 63 N 0.20 0.00 -5.40 1.92 4.15 -1.89 -3.38 115.11 110.71 1qab h GLN 63 Ca 0.14 0.00 -0.65 0.00 0.77 0.00 0.00 58.65 58.91 1qab h GLN 63 Cb 0.14 0.00 -0.15 0.00 0.21 0.00 0.00 27.48 27.68 1qab h GLN 63 CO -0.17 0.06 0.29 0.12 -1.93 0.00 0.00 178.83 177.20 1qab s PHE 64 N -3.88 2.93 0.31 3.99 5.36 0.12 -4.87 117.98 121.95 1qab s PHE 64 Ca -0.01 -0.27 0.08 0.00 -0.96 0.00 0.00 56.93 55.77 1qab s PHE 64 Cb 0.11 -3.77 -0.04 0.00 -0.34 0.00 0.00 43.02 38.98 1qab s PHE 64 CO 0.54 -1.17 0.15 0.14 -1.46 0.00 0.00 175.22 173.42 1qab s VAL 65 N 3.24 3.45 0.45 3.12 -7.23 -1.26 -4.86 120.40 117.31 1qab s VAL 65 Ca 0.23 -1.63 -0.23 0.00 -1.81 0.00 0.00 61.98 58.54 1qab s VAL 65 Cb -0.16 -3.06 -0.08 0.00 0.56 0.00 0.00 36.38 33.64 1qab s VAL 65 CO 0.16 -0.25 1.14 -1.83 -0.31 0.00 0.00 175.10 174.01 1qab s GLU 66 N -3.84 3.83 0.00 4.82 -1.05 -1.26 -4.83 118.70 116.37 1qab s GLU 66 Ca 0.36 1.73 0.00 0.00 -0.15 0.00 0.00 54.97 56.91 1qab s GLU 66 Cb -0.05 -2.43 0.00 0.00 -0.44 0.00 0.00 34.13 31.21 1qab s GLU 66 CO 0.23 -0.48 0.00 0.41 0.95 0.00 0.00 175.26 176.37 1qab n GLY 67 N 0.42 -0.64 3.76 -3.83 0.00 -1.24 -4.98 105.19 98.68 1qab n GLY 67 Ca 0.07 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 1qab n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qab s ILE 68 N -3.00 4.38 0.27 -0.61 1.01 -1.26 -1.20 121.20 120.78 1qab s ILE 68 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.77 1qab s ILE 68 Cb 0.00 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 1qab s ILE 68 CO 0.00 0.07 0.17 -0.31 0.00 0.00 0.00 174.94 174.87 1qab s TYR 69 N -1.45 1.46 0.08 3.97 1.51 -0.62 -2.79 117.35 119.50 1qab s TYR 69 Ca 0.29 -1.42 0.01 0.00 -1.01 0.00 0.00 57.07 54.94 1qab s TYR 69 Cb -0.12 -0.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.98 1qab s TYR 69 CO 0.21 -0.63 -0.06 0.21 -1.11 0.00 0.00 175.55 174.17 1qab s LYS 70 N -3.89 0.71 -0.30 -0.62 2.20 0.40 -3.08 119.74 115.16 1qab s LYS 70 Ca 0.38 -1.17 -0.01 0.00 -0.36 0.00 0.00 55.97 54.81 1qab s LYS 70 Cb 0.05 -0.13 0.13 0.00 -1.51 0.00 0.00 37.83 36.37 1qab s LYS 70 CO 0.17 -0.02 0.26 0.08 -0.36 0.00 0.00 175.35 175.48 1qab s VAL 71 N -3.15 -0.30 -0.13 4.02 1.01 -0.39 -2.02 120.40 119.43 1qab s VAL 71 Ca 0.06 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 1qab s VAL 71 Cb 0.02 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 1qab s VAL 71 CO -0.05 -0.55 0.29 -0.70 0.00 0.00 0.00 175.10 174.09 1qab s GLU 72 N 2.20 4.10 -0.25 2.72 2.12 -0.83 -2.04 118.70 126.72 1qab s GLU 72 Ca 0.10 0.11 0.01 0.00 0.36 0.00 0.00 54.97 55.54 1qab s GLU 72 Cb -0.15 -3.37 0.07 0.00 0.26 0.00 0.00 34.13 30.94 1qab s GLU 72 CO -0.31 0.37 -0.02 0.42 -0.54 0.00 0.00 175.26 175.18 1qab s ILE 73 N 0.05 1.43 -1.03 -3.70 1.01 -0.75 -2.50 121.20 115.71 1qab s ILE 73 Ca 0.17 -1.26 -0.24 0.00 0.00 0.00 0.00 60.65 59.32 1qab s ILE 73 Cb -0.13 -1.78 -0.07 0.00 0.01 0.00 0.00 42.46 40.49 1qab s ILE 73 CO 0.05 -0.20 1.96 -0.62 0.00 0.00 0.00 174.94 176.12 1qab s ASP 74 N 1.42 5.03 0.28 3.58 2.15 -1.14 -0.86 116.67 127.12 1qab s ASP 74 Ca -0.03 -1.10 0.07 0.00 0.43 0.00 0.00 52.55 51.92 1qab s ASP 74 Cb -0.19 -2.57 0.39 0.00 -0.30 0.00 0.00 42.92 40.25 1qab s ASP 74 CO -0.08 -2.96 1.65 0.71 -0.17 0.00 0.00 175.17 174.31 1qab h THR 75 N 6.78 1.36 -0.93 1.71 1.35 -1.89 -3.23 112.91 118.05 1qab h THR 75 Ca 0.15 -1.78 0.26 0.00 -0.55 0.00 0.00 66.41 64.48 1qab h THR 75 Cb 0.98 1.89 -0.14 0.00 -1.73 0.00 0.00 68.15 69.15 1qab h THR 75 CO 1.21 0.52 0.41 0.50 -0.25 0.00 0.00 175.52 177.91 1qab h LYS 76 N 0.13 0.32 0.17 4.72 3.64 -1.73 -1.71 116.57 122.11 1qab h LYS 76 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1qab h LYS 76 Cb 0.96 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1qab h LYS 76 CO 0.08 0.21 -0.08 0.77 -2.27 0.00 0.00 179.45 178.15 1qab h SER 77 N 0.33 -0.20 -0.51 4.20 0.02 -1.86 -2.99 113.55 112.54 1qab h SER 77 Ca 0.62 -0.24 0.07 0.00 -0.84 0.00 0.00 61.79 61.40 1qab h SER 77 Cb 1.29 0.05 -0.09 0.00 0.14 0.00 0.00 62.40 63.79 1qab h SER 77 CO -0.59 0.15 -0.50 0.22 -1.14 0.00 0.00 176.83 174.96 1qab h TYR 78 N -0.57 -1.52 -0.47 3.45 3.20 -1.45 -2.50 116.97 117.10 1qab h TYR 78 Ca -0.02 0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 1qab h TYR 78 Cb 0.43 0.73 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 1qab h TYR 78 CO 0.03 -0.46 -0.01 -1.49 -1.64 0.00 0.00 178.16 174.60 1qab h TRP 79 N -0.31 0.83 0.25 -3.82 4.06 -1.62 -2.98 115.95 112.36 1qab h TRP 79 Ca 0.12 -0.12 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1qab h TRP 79 Cb 0.57 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 28.51 1qab h TRP 79 CO -0.73 0.77 -0.12 0.87 -3.56 0.00 0.00 178.44 175.67 1qab h LYS 80 N 0.73 -0.32 -0.96 0.49 1.57 -1.32 0.13 116.57 116.88 1qab h LYS 80 Ca 0.14 0.02 0.20 0.00 -1.87 0.00 0.00 60.65 59.15 1qab h LYS 80 Cb 0.45 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.75 1qab h LYS 80 CO 0.02 0.01 0.61 0.00 -0.57 0.00 0.00 179.45 179.53 1qab h ALA 81 N -0.10 1.98 0.50 3.86 0.00 -1.53 0.38 119.26 124.35 1qab h ALA 81 Ca -0.03 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1qab h ALA 81 Cb 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1qab h ALA 81 CO 0.06 -0.31 -0.24 -0.07 0.00 0.00 0.00 179.25 178.68 1qab h LEU 82 N 0.57 -0.57 0.00 0.00 4.07 -1.34 -3.47 115.31 114.56 1qab h LEU 82 Ca 0.53 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.48 1qab h LEU 82 Cb 1.08 0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.97 1qab h LEU 82 CO -0.27 -0.38 0.00 0.61 -1.08 0.00 0.00 178.44 177.32 1qab n GLY 83 N -1.25 0.62 2.88 0.83 0.00 0.12 -5.11 105.19 103.28 1qab n GLY 83 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 1qab n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qab s ILE 84 N -0.62 0.80 -0.78 -0.61 1.01 0.32 -5.01 121.20 116.31 1qab s ILE 84 Ca 0.00 -0.18 -0.24 0.00 0.00 0.00 0.00 60.65 60.23 1qab s ILE 84 Cb 0.00 -0.84 0.05 0.00 0.01 0.00 0.00 42.46 41.68 1qab s ILE 84 CO 0.00 0.32 1.21 -0.55 0.00 0.00 0.00 174.94 175.92 1qab s SER 85 N 1.57 6.26 1.27 3.58 0.15 -1.26 -3.21 113.70 122.06 1qab s SER 85 Ca 0.01 -0.91 -0.18 0.00 0.70 0.00 0.00 55.95 55.56 1qab s SER 85 Cb -0.13 -2.51 0.31 0.00 -1.71 0.00 0.00 66.02 61.99 1qab s SER 85 CO -0.05 -1.61 1.01 -2.16 1.20 0.00 0.00 173.24 171.63 1qab s PRO 86 N 4.88 -1.76 -0.22 5.44 0.04 -1.26 -5.01 135.00 137.11 1qab s PRO 86 Ca 0.33 0.32 0.04 0.00 0.04 0.00 0.00 61.00 61.74 1qab s PRO 86 Cb -0.09 -1.50 -0.16 0.00 0.04 0.00 0.00 34.50 32.79 1qab s PRO 86 CO 0.07 -4.15 -0.16 0.34 0.04 0.00 0.00 177.00 173.14 1qab n PHE 87 N -5.14 0.00 -3.39 0.56 7.35 -0.53 -4.97 117.46 111.34 1qab n PHE 87 Ca 0.09 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.40 1qab n PHE 87 Cb 0.58 -0.87 -0.06 0.00 0.35 0.00 0.00 39.48 39.48 1qab n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1qab s HIS 88 N -2.45 3.76 0.17 -5.13 3.76 -1.26 -4.96 115.29 109.18 1qab s HIS 88 Ca -0.27 1.12 0.12 0.00 -0.15 0.00 0.00 55.06 55.88 1qab s HIS 88 Cb 0.07 -2.39 0.29 0.00 1.11 0.00 0.00 32.58 31.66 1qab s HIS 88 CO 0.56 0.61 1.56 0.93 -0.85 0.00 0.00 174.74 177.54 1qab h GLU 89 N 4.69 0.00 -1.19 1.40 4.39 -1.98 -3.38 114.58 118.51 1qab h GLU 89 Ca -0.50 0.00 0.34 0.00 0.34 0.00 0.00 59.36 59.54 1qab h GLU 89 Cb 1.22 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.71 1qab h GLU 89 CO 0.63 0.63 0.92 -3.38 -1.16 0.00 0.00 179.01 176.65 1qab s HIS 90 N -3.36 -0.03 -0.27 4.33 -3.43 -1.26 -3.23 115.29 108.04 1qab s HIS 90 Ca 0.00 -0.00 -0.07 0.00 -0.80 0.00 0.00 55.06 54.19 1qab s HIS 90 Cb 0.11 0.51 -0.01 0.00 -1.43 0.00 0.00 32.58 31.77 1qab s HIS 90 CO 0.75 -0.11 0.06 0.00 -2.00 0.00 0.00 174.74 173.45 1qab s ALA 91 N -2.18 3.07 -0.18 -1.38 0.00 -0.04 -4.90 121.76 116.15 1qab s ALA 91 Ca 0.13 -1.31 -0.07 0.00 0.00 0.00 0.00 51.96 50.71 1qab s ALA 91 Cb 0.04 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 1qab s ALA 91 CO -0.05 -0.72 0.05 -2.00 0.00 0.00 0.00 175.76 173.04 1qab s GLU 92 N 1.54 3.94 -0.13 0.00 2.12 -1.26 -1.81 118.70 123.10 1qab s GLU 92 Ca 0.04 -0.36 0.02 0.00 0.36 0.00 0.00 54.97 55.03 1qab s GLU 92 Cb -0.16 -3.19 0.01 0.00 0.26 0.00 0.00 34.13 31.06 1qab s GLU 92 CO 0.02 0.27 -0.18 0.08 -0.54 0.00 0.00 175.26 174.91 1qab s VAL 93 N 0.38 1.73 -0.14 3.70 1.01 -0.87 -5.01 120.40 121.20 1qab s VAL 93 Ca 0.02 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 1qab s VAL 93 Cb -0.13 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.72 1qab s VAL 93 CO 0.00 0.49 -0.10 -0.69 0.00 0.00 0.00 175.10 174.80 1qab s VAL 94 N 1.03 1.29 0.13 2.92 1.01 -1.26 -1.26 120.40 124.25 1qab s VAL 94 Ca -0.04 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 1qab s VAL 94 Cb -0.15 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1qab s VAL 94 CO -0.04 0.35 0.28 0.72 0.00 0.00 0.00 175.10 176.42 1qab s PHE 95 N 1.59 0.18 0.36 5.22 -0.71 -1.18 -5.02 117.98 118.42 1qab s PHE 95 Ca 0.04 -0.56 -0.03 0.00 -1.04 0.00 0.00 56.93 55.34 1qab s PHE 95 Cb -0.13 0.02 0.08 0.00 -1.21 0.00 0.00 43.02 41.78 1qab s PHE 95 CO -0.09 -0.67 0.49 2.41 -1.34 0.00 0.00 175.22 176.03 1qab n THR 96 N -0.17 0.00 -3.53 -4.49 -1.04 -1.26 -1.59 114.28 102.21 1qab n THR 96 Ca -0.12 -0.60 -0.10 0.00 -2.04 0.00 0.00 64.05 61.19 1qab n THR 96 Cb 0.63 -1.39 -0.02 0.00 -1.82 0.00 0.00 70.33 67.73 1qab n THR 96 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qab s ALA 97 N -3.32 -1.58 -0.03 2.41 0.00 -0.34 -4.80 121.76 114.09 1qab s ALA 97 Ca 0.31 0.44 -0.00 0.00 0.00 0.00 0.00 51.96 52.70 1qab s ALA 97 Cb -0.01 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1qab s ALA 97 CO 0.21 -0.81 0.01 0.09 0.00 0.00 0.00 175.76 175.25 1qab n ASN 98 N -0.37 -0.41 -0.11 0.00 3.02 -1.26 -3.60 115.26 112.53 1qab n ASN 98 Ca -0.13 0.18 -0.07 0.00 -0.03 0.00 0.00 54.58 54.53 1qab n ASN 98 Cb 0.63 -0.41 -0.01 0.00 -0.61 0.00 0.00 39.78 39.38 1qab n ASN 98 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1qab h ASP 99 N -0.01 -0.92 -1.68 6.41 3.58 -1.91 -2.67 116.42 119.23 1qab h ASP 99 Ca -0.01 0.17 -0.63 0.00 0.42 0.00 0.00 57.03 56.98 1qab h ASP 99 Cb 0.41 0.45 -0.39 0.00 1.72 0.00 0.00 39.33 41.52 1qab h ASP 99 CO 0.01 -0.29 -0.33 -1.54 -2.88 0.00 0.00 179.24 174.22 1qab n SER 100 N -5.40 5.32 0.00 2.28 3.41 -1.26 -5.03 113.62 112.94 1qab n SER 100 Ca 0.01 -3.74 0.00 0.00 -0.26 0.00 0.00 58.87 54.88 1qab n SER 100 Cb 0.32 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1qab n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qab n GLY 101 N -0.47 2.88 3.77 5.00 0.00 -1.01 -5.04 105.19 110.33 1qab n GLY 101 Ca 0.42 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 1qab n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1qab s PRO 102 N -3.12 3.94 0.00 1.61 0.02 -1.26 -4.17 135.00 132.02 1qab s PRO 102 Ca 0.00 1.99 -0.14 0.00 0.02 0.00 0.00 61.00 62.87 1qab s PRO 102 Cb 0.00 -2.66 0.02 0.00 0.02 0.00 0.00 34.50 31.88 1qab s PRO 102 CO 0.00 -0.46 0.29 1.03 -0.33 0.00 0.00 177.00 177.53 1qab s ARG 103 N -2.34 0.68 -0.57 5.54 1.81 -1.26 -4.99 118.95 117.81 1qab s ARG 103 Ca 0.58 -0.29 -0.22 0.00 -1.72 0.00 0.00 55.73 54.08 1qab s ARG 103 Cb -0.34 0.30 0.06 0.00 -0.45 0.00 0.00 34.95 34.51 1qab s ARG 103 CO 0.43 -0.19 0.86 1.03 -0.68 0.00 0.00 175.30 176.75 1qab s ARG 104 N -1.61 3.20 -0.03 3.54 0.52 -1.26 -4.83 118.95 118.48 1qab s ARG 104 Ca -0.12 -0.63 -0.08 0.00 -0.52 0.00 0.00 55.73 54.38 1qab s ARG 104 Cb -0.04 -4.13 -0.05 0.00 0.52 0.00 0.00 34.95 31.25 1qab s ARG 104 CO 0.02 -1.52 0.26 0.71 0.02 0.00 0.00 175.30 174.78 1qab s TYR 105 N 3.62 3.61 -0.26 -0.53 2.02 -0.31 -3.95 117.35 121.54 1qab s TYR 105 Ca 0.23 0.64 -0.02 0.00 -0.37 0.00 0.00 57.07 57.55 1qab s TYR 105 Cb -0.16 -2.03 0.08 0.00 -0.40 0.00 0.00 41.96 39.46 1qab s TYR 105 CO 0.14 0.65 0.07 0.99 -1.57 0.00 0.00 175.55 175.84 1qab s THR 106 N -1.18 0.70 -0.30 -0.71 2.01 -1.05 -1.90 115.64 113.20 1qab s THR 106 Ca 0.23 -1.03 -0.16 0.00 0.31 0.00 0.00 61.69 61.04 1qab s THR 106 Cb -0.13 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 1qab s THR 106 CO 0.12 -0.49 0.40 -0.63 -0.69 0.00 0.00 174.62 173.34 1qab s ILE 107 N 1.74 5.14 -0.06 1.82 -1.09 -0.37 -1.79 121.20 126.59 1qab s ILE 107 Ca 0.05 0.39 0.03 0.00 -2.23 0.00 0.00 60.65 58.89 1qab s ILE 107 Cb -0.17 -3.79 -0.02 0.00 -1.58 0.00 0.00 42.46 36.90 1qab s ILE 107 CO -0.19 0.01 -0.15 0.00 -1.23 0.00 0.00 174.94 173.38 1qab s ALA 108 N 2.12 2.63 -0.08 9.38 0.00 -1.06 -0.25 121.76 134.51 1qab s ALA 108 Ca 0.15 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.14 1qab s ALA 108 Cb -0.16 -0.98 0.02 0.00 0.00 0.00 0.00 23.12 22.00 1qab s ALA 108 CO 0.11 0.52 -0.08 0.00 0.00 0.00 0.00 175.76 176.30 1qab s ALA 109 N -0.59 1.18 -0.14 0.00 0.00 0.16 -2.45 121.76 119.92 1qab s ALA 109 Ca 0.08 -0.41 -0.15 0.00 0.00 0.00 0.00 51.96 51.48 1qab s ALA 109 Cb -0.11 -0.72 -0.05 0.00 0.00 0.00 0.00 23.12 22.25 1qab s ALA 109 CO 0.01 -0.18 0.36 -1.17 0.00 0.00 0.00 175.76 174.78 1qab s LEU 110 N 1.25 4.27 -0.10 0.00 2.96 -0.75 -0.88 118.68 125.42 1qab s LEU 110 Ca -0.04 0.63 -0.04 0.00 -0.22 0.00 0.00 54.13 54.46 1qab s LEU 110 Cb -0.14 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 1qab s LEU 110 CO -0.03 0.08 0.06 -0.76 -1.32 0.00 0.00 176.35 174.38 1qab s LEU 111 N 0.44 3.91 -0.23 -0.68 1.43 0.25 -2.46 118.68 121.34 1qab s LEU 111 Ca 0.20 0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 53.45 1qab s LEU 111 Cb -0.14 -1.93 0.07 0.00 0.03 0.00 0.00 46.19 44.23 1qab s LEU 111 CO 0.06 0.39 0.56 -0.44 0.23 0.00 0.00 176.35 177.15 1qab s SER 112 N -0.97 -0.74 0.23 2.29 0.01 0.06 0.57 113.70 115.15 1qab s SER 112 Ca 0.14 1.23 0.11 0.00 1.31 0.00 0.00 55.95 58.75 1qab s SER 112 Cb -0.12 1.18 0.80 0.00 0.21 0.00 0.00 66.02 68.10 1qab s SER 112 CO 0.03 -0.22 1.02 -2.65 0.41 0.00 0.00 173.24 171.83 1qab n PRO 113 N 4.42 -0.04 -0.13 12.44 -0.02 -1.26 -0.11 135.00 150.29 1qab n PRO 113 Ca -0.20 0.91 0.07 0.00 -2.02 0.00 0.00 63.50 62.25 1qab n PRO 113 Cb 0.56 -1.59 0.09 0.00 -0.02 0.00 0.00 33.50 32.54 1qab n PRO 113 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1qab n TYR 114 N -4.54 0.00 -3.53 6.00 4.02 -1.26 -1.45 117.16 116.40 1qab n TYR 114 Ca 0.23 -0.72 -0.16 0.00 -0.01 0.00 0.00 57.90 57.24 1qab n TYR 114 Cb 0.77 -0.11 -0.06 0.00 -0.02 0.00 0.00 39.34 39.92 1qab n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1qab s SER 115 N -2.19 -0.57 -0.27 7.72 0.15 0.84 -4.98 113.70 114.39 1qab s SER 115 Ca 0.21 0.61 -0.24 0.00 0.70 0.00 0.00 55.95 57.23 1qab s SER 115 Cb 0.18 0.47 0.09 0.00 -1.71 0.00 0.00 66.02 65.05 1qab s SER 115 CO 0.02 -0.54 0.82 -0.72 1.20 0.00 0.00 173.24 174.02 1qab s TYR 116 N -1.22 -0.71 0.13 3.44 -0.85 -1.26 -0.76 117.35 116.12 1qab s TYR 116 Ca -0.08 1.70 0.09 0.00 -0.52 0.00 0.00 57.07 58.26 1qab s TYR 116 Cb -0.00 0.32 -0.04 0.00 0.38 0.00 0.00 41.96 42.62 1qab s TYR 116 CO 0.07 -0.34 -0.22 -1.54 -1.52 0.00 0.00 175.55 172.00 1qab s SER 117 N 0.42 2.81 0.08 -0.18 1.04 -1.03 -4.99 113.70 111.85 1qab s SER 117 Ca 0.00 -0.76 0.06 0.00 0.48 0.00 0.00 55.95 55.73 1qab s SER 117 Cb -0.05 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.87 1qab s SER 117 CO -0.03 0.07 -0.16 0.28 0.98 0.00 0.00 173.24 174.39 1qab s THR 118 N -1.40 1.23 0.11 2.02 -1.32 -1.26 -1.81 115.64 113.22 1qab s THR 118 Ca 0.11 -1.34 -0.06 0.00 -1.21 0.00 0.00 61.69 59.19 1qab s THR 118 Cb -0.09 -1.16 -0.02 0.00 -1.51 0.00 0.00 72.50 69.72 1qab s THR 118 CO 0.06 -0.19 0.15 0.28 -2.21 0.00 0.00 174.62 172.71 1qab s THR 119 N -1.24 0.12 -0.09 5.08 -1.32 -1.03 -5.03 115.64 112.15 1qab s THR 119 Ca -0.00 -1.52 0.00 0.00 -1.21 0.00 0.00 61.69 58.96 1qab s THR 119 Cb -0.10 -1.68 0.02 0.00 -1.51 0.00 0.00 72.50 69.23 1qab s THR 119 CO 0.03 -0.56 -0.06 0.00 -2.21 0.00 0.00 174.62 171.81 1qab s ALA 120 N -3.95 1.10 -0.37 11.08 0.00 -1.26 -2.56 121.76 125.81 1qab s ALA 120 Ca 0.13 -0.37 -0.13 0.00 0.00 0.00 0.00 51.96 51.59 1qab s ALA 120 Cb 0.06 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1qab s ALA 120 CO -0.05 -0.28 0.25 0.08 0.00 0.00 0.00 175.76 175.76 1qab s VAL 121 N 1.48 5.11 0.01 0.00 1.01 -0.74 -4.95 120.40 122.31 1qab s VAL 121 Ca -0.00 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1qab s VAL 121 Cb -0.13 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1qab s VAL 121 CO -0.04 -0.15 -0.07 0.54 0.00 0.00 0.00 175.10 175.37 1qab s VAL 122 N 1.67 0.57 -0.07 2.92 0.11 -1.26 -2.52 120.40 121.82 1qab s VAL 122 Ca 0.05 -0.51 -0.15 0.00 -2.93 0.00 0.00 61.98 58.44 1qab s VAL 122 Cb -0.18 -0.52 0.03 0.00 -1.53 0.00 0.00 36.38 34.18 1qab s VAL 122 CO 0.09 0.02 0.35 -0.89 -3.33 0.00 0.00 175.10 171.35 1qab s THR 123 N -0.47 0.03 -2.31 5.04 2.01 -1.25 -5.07 115.64 113.62 1qab s THR 123 Ca -0.00 -0.25 0.30 0.00 0.31 0.00 0.00 61.69 62.04 1qab s THR 123 Cb -0.05 -0.59 0.69 0.00 0.01 0.00 0.00 72.50 72.56 1qab s THR 123 CO 0.00 -0.14 1.93 -3.20 -0.69 0.00 0.00 174.62 172.53