#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pls h GLU 2 N 0.00 -0.48 0.00 2.12 5.08 -1.87 -3.42 114.58 116.01 1pls h GLU 2 Ca 0.00 0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.18 1pls h GLU 2 Cb 0.00 0.11 0.10 0.00 0.50 0.00 0.00 28.75 29.46 1pls h GLU 2 CO 0.00 -0.32 0.10 -0.35 -1.00 0.00 0.00 179.01 177.44 1pls n PRO 3 N -4.94 -1.79 -3.00 2.33 -0.04 -1.26 -4.61 135.00 121.70 1pls n PRO 3 Ca -0.05 -0.95 -0.01 0.00 -0.04 0.00 0.00 63.50 62.45 1pls n PRO 3 Cb 0.32 -0.82 -0.01 0.00 -0.04 0.00 0.00 33.50 32.95 1pls n PRO 3 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1pls n LYS 4 N -3.06 -1.73 -0.89 0.54 5.02 -1.26 -4.71 118.16 112.07 1pls n LYS 4 Ca 0.08 1.62 0.11 0.00 -2.02 0.00 0.00 58.31 58.11 1pls n LYS 4 Cb 0.30 -2.15 -0.04 0.00 -0.02 0.00 0.00 35.03 33.12 1pls n LYS 4 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pls n ARG 5 N 1.72 -1.93 0.00 1.97 3.00 -1.26 -4.85 116.66 115.31 1pls n ARG 5 Ca -0.06 1.44 0.00 0.00 -0.01 0.00 0.00 57.85 59.22 1pls n ARG 5 Cb 0.28 -2.30 0.00 0.00 0.00 0.00 0.00 32.46 30.44 1pls n ARG 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1pls n ILE 6 N -3.61 0.00 -3.63 0.55 5.41 -0.84 -4.81 119.36 112.43 1pls n ILE 6 Ca -0.02 0.13 -0.40 0.00 1.00 0.00 0.00 62.75 63.46 1pls n ILE 6 Cb 0.41 -0.86 -0.10 0.00 -0.71 0.00 0.00 39.64 38.38 1pls n ILE 6 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1pls s ARG 7 N -0.26 2.56 -0.08 0.38 1.81 -1.01 -4.68 118.95 117.67 1pls s ARG 7 Ca 0.00 -1.47 0.03 0.00 -1.72 0.00 0.00 55.73 52.57 1pls s ARG 7 Cb 0.00 -3.74 -0.02 0.00 -0.45 0.00 0.00 34.95 30.74 1pls s ARG 7 CO 0.00 -0.94 -0.17 -1.83 -0.68 0.00 0.00 175.30 171.68 1pls s GLU 8 N 1.40 2.80 0.00 3.54 1.03 -1.26 -1.70 118.70 124.51 1pls s GLU 8 Ca 0.03 -0.75 0.00 0.00 0.03 0.00 0.00 54.97 54.28 1pls s GLU 8 Cb -0.23 -2.40 0.00 0.00 -0.80 0.00 0.00 34.13 30.70 1pls s GLU 8 CO 0.02 0.43 0.00 0.41 -1.33 0.00 0.00 175.26 174.78 1pls n GLY 9 N 2.87 3.62 2.55 -3.83 0.00 -0.53 -4.99 105.19 104.89 1pls n GLY 9 Ca -0.18 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 1pls n GLY 9 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pls s TYR 10 N -0.55 0.65 0.08 1.61 1.13 -1.26 -2.03 117.35 116.98 1pls s TYR 10 Ca 0.00 -1.21 0.10 0.00 -1.41 0.00 0.00 57.07 54.54 1pls s TYR 10 Cb 0.00 -1.04 -0.03 0.00 -1.10 0.00 0.00 41.96 39.78 1pls s TYR 10 CO 0.00 -0.83 -0.25 -0.51 -2.51 0.00 0.00 175.55 171.44 1pls s LEU 11 N 1.75 2.30 0.21 -3.49 2.01 0.01 -4.71 118.68 116.76 1pls s LEU 11 Ca 0.11 -0.63 -0.30 0.00 0.01 0.00 0.00 54.13 53.33 1pls s LEU 11 Cb -0.18 -1.30 -0.08 0.00 0.01 0.00 0.00 46.19 44.63 1pls s LEU 11 CO -0.26 0.23 1.06 0.54 1.01 0.00 0.00 176.35 178.93 1pls s VAL 12 N -0.93 3.84 0.35 -1.59 0.11 -0.94 -1.69 120.40 119.55 1pls s VAL 12 Ca 0.13 1.70 0.09 0.00 -2.93 0.00 0.00 61.98 60.97 1pls s VAL 12 Cb -0.10 -4.08 -0.06 0.00 -1.53 0.00 0.00 36.38 30.61 1pls s VAL 12 CO 0.04 0.34 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.60 1pls s LYS 13 N -0.80 2.01 -0.16 1.54 1.02 -1.02 -0.95 119.74 121.38 1pls s LYS 13 Ca 0.46 -1.81 0.00 0.00 0.02 0.00 0.00 55.97 54.64 1pls s LYS 13 Cb -0.29 -1.86 -0.00 0.00 -0.52 0.00 0.00 37.83 35.16 1pls s LYS 13 CO 0.36 0.12 -0.15 0.21 -0.92 0.00 0.00 175.35 174.97 1pls s LYS 14 N -3.69 3.21 0.00 1.68 2.36 -0.30 -3.28 119.74 119.72 1pls s LYS 14 Ca 0.34 -0.75 0.00 0.00 -2.55 0.00 0.00 55.97 53.02 1pls s LYS 14 Cb 0.01 -2.64 0.00 0.00 -1.05 0.00 0.00 37.83 34.15 1pls s LYS 14 CO 0.19 0.00 0.00 0.41 1.55 0.00 0.00 175.35 177.50 1pls n GLY 15 N 4.10 -0.45 5.67 5.54 0.00 -1.26 -4.61 105.19 114.18 1pls n GLY 15 Ca -0.19 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1pls n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pls n SER 16 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.40 113.62 112.98 1pls n SER 16 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1pls n SER 16 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1pls n SER 16 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1pls n VAL 17 N 0.00 0.00 -0.94 -3.33 0.24 -1.26 -5.09 118.33 107.95 1pls n VAL 17 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.94 1pls n VAL 17 Cb 0.00 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 32.43 1pls n VAL 17 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1pls n PHE 18 N 0.00 -2.81 -1.39 6.34 3.01 -1.26 -4.39 117.46 116.96 1pls n PHE 18 Ca 0.00 0.30 -0.50 0.00 1.01 0.00 0.00 57.45 58.26 1pls n PHE 18 Cb 0.00 -1.46 -0.11 0.00 -0.01 0.00 0.00 39.48 37.89 1pls n PHE 18 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1pls n ASN 19 N 2.39 0.97 -4.14 4.37 4.13 -1.26 -4.75 115.26 116.97 1pls n ASN 19 Ca -0.01 0.37 -0.21 0.00 1.68 0.00 0.00 54.58 56.41 1pls n ASN 19 Cb 0.65 -1.03 -0.09 0.00 -1.54 0.00 0.00 39.78 37.77 1pls n ASN 19 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1pls s THR 20 N 7.71 0.60 -0.26 3.41 -4.23 -1.26 -5.03 115.64 116.58 1pls s THR 20 Ca 1.22 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.72 1pls s THR 20 Cb -1.20 -2.52 0.15 0.00 1.34 0.00 0.00 72.50 70.26 1pls s THR 20 CO 0.54 0.00 0.41 0.26 -0.54 0.00 0.00 174.62 175.29 1pls s TRP 21 N -3.43 -0.95 -0.00 3.99 0.52 -1.26 -4.03 118.94 113.78 1pls s TRP 21 Ca 0.32 0.76 0.01 0.00 0.02 0.00 0.00 56.10 57.20 1pls s TRP 21 Cb 0.05 0.01 0.00 0.00 -1.15 0.00 0.00 33.47 32.39 1pls s TRP 21 CO 0.16 -0.82 -0.02 0.15 0.02 0.00 0.00 176.95 176.44 1pls s LYS 22 N 2.57 0.20 0.65 4.98 -0.14 -1.20 -4.97 119.74 121.82 1pls s LYS 22 Ca 0.12 -0.06 -0.17 0.00 -1.36 0.00 0.00 55.97 54.50 1pls s LYS 22 Cb -0.14 -0.22 -0.05 0.00 -1.68 0.00 0.00 37.83 35.74 1pls s LYS 22 CO -0.21 0.03 0.70 -2.30 -0.76 0.00 0.00 175.35 172.81 1pls n PRO 23 N 3.15 0.54 -3.89 -1.68 -0.02 -1.26 -2.43 135.00 129.42 1pls n PRO 23 Ca -0.14 0.22 -0.08 0.00 -2.02 0.00 0.00 63.50 61.48 1pls n PRO 23 Cb 0.58 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 1pls n PRO 23 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pls s MET 24 N -2.65 1.79 0.04 -0.52 0.23 -0.68 -4.78 119.30 112.73 1pls s MET 24 Ca 0.70 -1.10 -0.06 0.00 -1.03 0.00 0.00 55.69 54.20 1pls s MET 24 Cb -0.39 0.58 -0.05 0.00 -1.53 0.00 0.00 34.83 33.44 1pls s MET 24 CO 0.53 -0.81 0.30 -0.46 -2.03 0.00 0.00 175.02 172.55 1pls s TRP 25 N -3.76 3.56 -0.14 3.16 -0.11 0.07 -0.81 118.94 120.92 1pls s TRP 25 Ca 0.14 0.58 -0.12 0.00 1.22 0.00 0.00 56.10 57.91 1pls s TRP 25 Cb -0.05 -2.00 0.04 0.00 -1.50 0.00 0.00 33.47 29.96 1pls s TRP 25 CO 0.08 0.57 0.37 0.54 -4.62 0.00 0.00 176.95 173.89 1pls s VAL 26 N -1.38 -0.00 -0.25 5.86 0.11 -0.86 0.15 120.40 124.03 1pls s VAL 26 Ca 0.31 0.01 -0.00 0.00 -2.93 0.00 0.00 61.98 59.36 1pls s VAL 26 Cb -0.13 -0.52 0.07 0.00 -1.53 0.00 0.00 36.38 34.27 1pls s VAL 26 CO 0.18 0.00 0.01 0.68 -3.33 0.00 0.00 175.10 172.65 1pls s VAL 27 N 0.28 1.16 -0.42 2.04 -7.23 -0.97 -1.45 120.40 113.82 1pls s VAL 27 Ca -0.01 -1.17 -0.24 0.00 -1.81 0.00 0.00 61.98 58.75 1pls s VAL 27 Cb -0.03 -1.63 0.02 0.00 0.56 0.00 0.00 36.38 35.30 1pls s VAL 27 CO -0.00 -0.30 0.85 -1.48 -0.31 0.00 0.00 175.10 173.86 1pls s LEU 28 N 1.53 4.10 0.45 1.32 0.05 -0.69 -2.31 118.68 123.14 1pls s LEU 28 Ca 0.00 0.19 0.00 0.00 0.05 0.00 0.00 54.13 54.38 1pls s LEU 28 Cb -0.18 -3.10 -0.00 0.00 -2.05 0.00 0.00 46.19 40.86 1pls s LEU 28 CO -0.11 -0.90 0.67 -0.76 -0.55 0.00 0.00 176.35 174.70 1pls s LEU 29 N 3.41 3.64 0.29 1.48 1.02 0.11 -1.99 118.68 126.65 1pls s LEU 29 Ca 0.34 0.28 0.26 0.00 0.02 0.00 0.00 54.13 55.02 1pls s LEU 29 Cb -0.12 -3.15 0.89 0.00 0.02 0.00 0.00 46.19 43.83 1pls s LEU 29 CO 0.22 -0.71 1.76 -0.08 0.02 0.00 0.00 176.35 177.56 1pls h GLU 30 N 0.40 0.00 -0.68 1.70 4.22 -1.96 -2.65 114.58 115.61 1pls h GLU 30 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.98 1pls h GLU 30 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1pls h GLU 30 CO 0.57 0.00 0.00 -0.40 -2.18 0.00 0.00 179.01 177.00 1pls n ASP 31 N -2.43 3.83 0.00 1.04 5.68 -1.26 -4.83 116.55 118.59 1pls n ASP 31 Ca 0.04 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 1pls n ASP 31 Cb 0.35 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 1pls n ASP 31 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pls n GLY 32 N 1.47 0.17 2.93 6.12 0.00 -1.00 -4.67 105.19 110.20 1pls n GLY 32 Ca 0.23 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 1pls n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pls s ILE 33 N -2.70 0.02 -0.18 -0.61 1.01 -0.23 0.09 121.20 118.59 1pls s ILE 33 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.48 1pls s ILE 33 Cb 0.00 -0.10 0.09 0.00 0.01 0.00 0.00 42.46 42.46 1pls s ILE 33 CO 0.00 -0.07 0.30 -1.83 0.00 0.00 0.00 174.94 173.34 1pls s GLU 34 N -0.20 0.23 0.08 2.79 -1.05 -0.98 -0.55 118.70 119.02 1pls s GLU 34 Ca -0.02 0.59 0.06 0.00 -0.15 0.00 0.00 54.97 55.45 1pls s GLU 34 Cb -0.02 -0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 33.23 1pls s GLU 34 CO -0.00 -0.46 -0.10 -0.59 0.95 0.00 0.00 175.26 175.06 1pls s PHE 35 N 2.45 2.75 0.00 4.83 -0.12 -1.01 -2.30 117.98 124.59 1pls s PHE 35 Ca 0.05 -0.15 0.00 0.00 -0.05 0.00 0.00 56.93 56.79 1pls s PHE 35 Cb -0.14 -1.46 0.00 0.00 -0.63 0.00 0.00 43.02 40.79 1pls s PHE 35 CO -0.12 0.41 0.00 0.66 -0.05 0.00 0.00 175.22 176.12 1pls n TYR 36 N 0.89 0.00 -0.11 3.49 4.02 0.12 -0.40 117.16 125.17 1pls n TYR 36 Ca -0.14 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.51 1pls n TYR 36 Cb 0.52 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.73 1pls n TYR 36 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1pls n LYS 37 N 0.00 0.62 -1.45 -0.72 3.00 -1.26 -0.75 118.16 117.61 1pls n LYS 37 Ca 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 58.31 58.63 1pls n LYS 37 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 35.03 33.43 1pls n LYS 37 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1pls n LYS 38 N -3.98 1.72 -0.02 1.64 5.02 -1.26 -0.75 118.16 120.54 1pls n LYS 38 Ca -0.44 0.00 0.23 0.00 -2.02 0.00 0.00 58.31 56.08 1pls n LYS 38 Cb 0.88 0.00 0.58 0.00 -0.02 0.00 0.00 35.03 36.47 1pls n LYS 38 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1pls h LYS 39 N 0.00 0.00 0.00 1.97 3.64 -1.94 -3.36 116.57 116.88 1pls h LYS 39 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1pls h LYS 39 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1pls h LYS 39 CO 0.00 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 177.61 1pls n SER 40 N -3.38 -0.03 -0.01 4.20 7.64 -1.26 -4.94 113.62 115.84 1pls n SER 40 Ca 0.14 0.01 -0.00 0.00 1.01 0.00 0.00 58.87 60.02 1pls n SER 40 Cb 1.04 0.36 -0.00 0.00 -1.01 0.00 0.00 64.21 64.60 1pls n SER 40 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1pls n ASP 41 N -2.51 -5.75 -1.52 6.43 2.03 -1.26 -2.93 116.55 111.05 1pls n ASP 41 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 1pls n ASP 41 Cb 0.00 -3.26 -0.01 0.00 -0.72 0.00 0.00 41.12 37.13 1pls n ASP 41 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1pls n ASN 42 N -0.92 -0.83 -3.23 1.67 3.02 -1.26 -4.77 115.26 108.95 1pls n ASN 42 Ca -0.00 0.18 -0.02 0.00 -0.03 0.00 0.00 54.58 54.70 1pls n ASN 42 Cb 0.46 -1.06 -0.03 0.00 -0.61 0.00 0.00 39.78 38.54 1pls n ASN 42 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1pls s SER 43 N -1.44 -0.81 1.12 6.41 0.15 -1.15 -5.15 113.70 112.83 1pls s SER 43 Ca 0.00 -0.41 -0.18 0.00 0.70 0.00 0.00 55.95 56.05 1pls s SER 43 Cb 0.00 1.63 0.12 0.00 -1.71 0.00 0.00 66.02 66.06 1pls s SER 43 CO 0.00 -0.27 0.05 -2.65 1.20 0.00 0.00 173.24 171.57 1pls n PRO 44 N 5.00 -1.84 0.00 5.44 -0.02 -1.26 -4.45 135.00 137.86 1pls n PRO 44 Ca 0.06 -0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.02 1pls n PRO 44 Cb 0.53 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 1pls n PRO 44 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1pls n LYS 45 N -2.10 0.17 0.00 -0.52 0.00 0.46 -4.89 118.16 111.28 1pls n LYS 45 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 58.31 57.95 1pls n LYS 45 Cb 0.58 -0.59 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1pls n LYS 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pls n GLY 46 N -0.04 4.77 3.21 3.14 0.00 -1.25 -4.96 105.19 110.06 1pls n GLY 46 Ca 0.00 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 1pls n GLY 46 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pls s MET 47 N -4.19 1.67 -0.23 1.61 -1.94 -1.26 -2.39 119.30 112.57 1pls s MET 47 Ca 0.00 -0.72 -0.10 0.00 -1.71 0.00 0.00 55.69 53.16 1pls s MET 47 Cb 0.00 -1.60 -0.05 0.00 2.01 0.00 0.00 34.83 35.20 1pls s MET 47 CO 0.00 0.43 0.13 0.42 -0.01 0.00 0.00 175.02 175.99 1pls s ILE 48 N -0.45 5.15 0.13 2.53 1.01 0.28 -4.89 121.20 124.97 1pls s ILE 48 Ca 0.07 0.11 -0.31 0.00 0.00 0.00 0.00 60.65 60.52 1pls s ILE 48 Cb -0.08 -3.38 -0.07 0.00 0.01 0.00 0.00 42.46 38.93 1pls s ILE 48 CO -0.01 0.37 1.27 -2.16 0.00 0.00 0.00 174.94 174.42 1pls s PRO 49 N 0.93 4.41 0.00 2.79 0.04 -1.26 -1.07 135.00 140.84 1pls s PRO 49 Ca 0.06 1.92 0.22 0.00 0.04 0.00 0.00 61.00 63.25 1pls s PRO 49 Cb -0.13 -3.27 1.31 0.00 0.04 0.00 0.00 34.50 32.45 1pls s PRO 49 CO 0.03 -0.26 1.69 1.28 0.04 0.00 0.00 177.00 179.78 1pls n LEU 50 N 3.39 0.00 0.00 -3.56 4.32 -1.26 -4.25 117.00 115.64 1pls n LEU 50 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 1pls n LEU 50 Cb 0.44 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.24 1pls n LEU 50 CO 0.57 -0.00 0.04 0.29 -1.22 0.00 0.00 177.39 177.07 1pls n LYS 51 N -1.00 0.00 -2.88 3.23 5.02 -1.26 -4.39 118.16 116.88 1pls n LYS 51 Ca 0.16 0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1pls n LYS 51 Cb 0.08 -0.59 0.02 0.00 -0.02 0.00 0.00 35.03 34.52 1pls n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pls n GLY 52 N -0.17 2.20 3.75 0.72 0.00 -1.26 -4.44 105.19 105.99 1pls n GLY 52 Ca 0.00 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 1pls n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pls s SER 53 N -2.43 4.53 0.44 1.61 1.04 -1.26 -3.55 113.70 114.09 1pls s SER 53 Ca 0.31 2.08 0.08 0.00 0.48 0.00 0.00 55.95 58.89 1pls s SER 53 Cb 0.39 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.96 1pls s SER 53 CO -0.03 -2.02 0.49 0.28 0.98 0.00 0.00 173.24 172.94 1pls s THR 54 N -2.39 2.71 -0.14 2.02 -1.32 -0.14 -4.79 115.64 111.59 1pls s THR 54 Ca 0.68 -1.19 -0.04 0.00 -1.21 0.00 0.00 61.69 59.93 1pls s THR 54 Cb -0.22 -2.89 0.07 0.00 -1.51 0.00 0.00 72.50 67.94 1pls s THR 54 CO 0.47 0.00 0.17 -0.22 -2.21 0.00 0.00 174.62 172.83 1pls s LEU 55 N -4.27 -0.00 -0.15 9.08 1.98 -1.26 -1.84 118.68 122.22 1pls s LEU 55 Ca 0.51 -0.06 -0.01 0.00 -2.89 0.00 0.00 54.13 51.68 1pls s LEU 55 Cb -0.06 0.21 -0.02 0.00 0.66 0.00 0.00 46.19 46.98 1pls s LEU 55 CO 0.30 -0.30 -0.10 -0.89 -1.89 0.00 0.00 176.35 173.48 1pls s THR 56 N 2.27 3.25 -0.17 3.68 2.01 -0.27 -4.95 115.64 121.47 1pls s THR 56 Ca 0.04 -0.58 -0.07 0.00 0.31 0.00 0.00 61.69 61.40 1pls s THR 56 Cb -0.14 -2.39 0.08 0.00 0.01 0.00 0.00 72.50 70.05 1pls s THR 56 CO -0.09 0.50 0.36 -0.55 -0.69 0.00 0.00 174.62 174.16 1pls s SER 57 N 0.54 -0.12 1.15 3.53 0.15 -1.26 -1.28 113.70 116.42 1pls s SER 57 Ca -0.07 0.83 -0.16 0.00 0.70 0.00 0.00 55.95 57.26 1pls s SER 57 Cb -0.15 1.01 0.23 0.00 -1.71 0.00 0.00 66.02 65.40 1pls s SER 57 CO 0.03 -0.22 0.92 -0.81 1.20 0.00 0.00 173.24 174.36 1pls n PRO 58 N 5.13 -2.31 0.00 5.44 -0.04 -1.26 -5.12 135.00 136.84 1pls n PRO 58 Ca -0.11 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.88 1pls n PRO 58 Cb 0.51 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1pls n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pls n GLN 60 N -0.65 0.00 -0.35 0.00 1.13 -1.26 -5.00 117.38 111.25 1pls n GLN 60 Ca 0.00 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.07 1pls n GLN 60 Cb 0.00 0.00 0.14 0.00 0.11 0.00 0.00 30.24 30.49 1pls n GLN 60 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1pls n ASP 61 N -0.95 2.82 -4.46 1.08 2.03 -1.26 -4.43 116.55 111.38 1pls n ASP 61 Ca 0.00 -2.38 -0.44 0.00 0.52 0.00 0.00 54.79 52.50 1pls n ASP 61 Cb 0.00 -0.58 -0.01 0.00 -0.72 0.00 0.00 41.12 39.81 1pls n ASP 61 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1pls s PHE 62 N -1.59 3.27 0.00 -0.67 5.36 -1.26 -3.95 117.98 119.14 1pls s PHE 62 Ca 0.20 -1.70 0.00 0.00 -0.96 0.00 0.00 56.93 54.47 1pls s PHE 62 Cb 0.16 -4.31 0.00 0.00 -0.34 0.00 0.00 43.02 38.53 1pls s PHE 62 CO 0.06 -1.46 0.00 0.41 -1.46 0.00 0.00 175.22 172.76 1pls n GLY 63 N 4.93 0.96 3.51 13.12 0.00 -1.26 -4.91 105.19 121.54 1pls n GLY 63 Ca 0.30 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1pls n GLY 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pls n LYS 64 N -1.48 0.16 -3.79 1.61 0.00 -1.25 -4.83 118.16 108.58 1pls n LYS 64 Ca 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 58.31 58.10 1pls n LYS 64 Cb 0.19 -1.71 -0.15 0.00 0.00 0.00 0.00 35.03 33.36 1pls n LYS 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1pls s ARG 65 N 8.20 0.02 0.87 1.64 6.06 -1.26 -5.03 118.95 129.44 1pls s ARG 65 Ca 1.27 0.21 0.00 0.00 -2.50 0.00 0.00 55.73 54.71 1pls s ARG 65 Cb -0.90 -0.16 0.00 0.00 0.06 0.00 0.00 34.95 33.95 1pls s ARG 65 CO 0.46 -0.13 0.00 -1.33 -2.50 0.00 0.00 175.30 171.80 1pls n MET 66 N 3.90 0.00 -3.47 5.12 2.81 -1.26 -3.70 117.12 120.53 1pls n MET 66 Ca -0.23 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.48 1pls n MET 66 Cb 0.53 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.92 1pls n MET 66 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1pls s PHE 67 N 0.00 -0.33 -0.06 2.03 0.08 -1.26 -4.91 117.98 113.52 1pls s PHE 67 Ca 0.00 0.18 0.03 0.00 0.12 0.00 0.00 56.93 57.26 1pls s PHE 67 Cb 0.00 -0.36 -0.03 0.00 -0.57 0.00 0.00 43.02 42.06 1pls s PHE 67 CO 0.00 -0.67 -0.13 0.54 -0.10 0.00 0.00 175.22 174.87 1pls s VAL 68 N 2.34 3.20 0.47 -0.44 0.11 -1.24 -2.21 120.40 122.63 1pls s VAL 68 Ca 0.08 -0.66 0.06 0.00 -2.93 0.00 0.00 61.98 58.53 1pls s VAL 68 Cb -0.15 -2.28 -0.01 0.00 -1.53 0.00 0.00 36.38 32.41 1pls s VAL 68 CO -0.16 0.58 0.31 0.72 -3.33 0.00 0.00 175.10 173.22 1pls s PHE 69 N -0.62 2.22 -0.30 1.54 -0.71 -0.67 -3.32 117.98 116.13 1pls s PHE 69 Ca 0.09 -0.68 -0.03 0.00 -1.04 0.00 0.00 56.93 55.28 1pls s PHE 69 Cb -0.11 -1.98 0.11 0.00 -1.21 0.00 0.00 43.02 39.83 1pls s PHE 69 CO 0.01 -0.14 0.18 0.21 -1.34 0.00 0.00 175.22 174.14 1pls s LYS 70 N -4.11 0.26 0.51 1.99 2.20 -0.40 -2.57 119.74 117.63 1pls s LYS 70 Ca 0.39 -0.53 -0.03 0.00 -0.36 0.00 0.00 55.97 55.43 1pls s LYS 70 Cb -0.00 -1.06 -0.00 0.00 -1.51 0.00 0.00 37.83 35.25 1pls s LYS 70 CO 0.22 -1.04 0.78 0.42 -0.36 0.00 0.00 175.35 175.37 1pls s ILE 71 N 2.04 4.03 -0.37 5.43 1.01 -0.50 -1.11 121.20 131.73 1pls s ILE 71 Ca 0.10 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.59 1pls s ILE 71 Cb -0.16 -3.54 0.15 0.00 0.01 0.00 0.00 42.46 38.92 1pls s ILE 71 CO -0.32 -0.48 0.25 -0.89 0.00 0.00 0.00 174.94 173.50 1pls s THR 72 N -2.76 0.26 0.77 2.92 2.01 -0.77 -0.75 115.64 117.33 1pls s THR 72 Ca 0.50 -2.00 -0.16 0.00 0.31 0.00 0.00 61.69 60.34 1pls s THR 72 Cb -0.10 -1.20 -0.09 0.00 0.01 0.00 0.00 72.50 71.12 1pls s THR 72 CO 0.42 -1.05 -0.01 0.35 -0.69 0.00 0.00 174.62 173.64 1pls n THR 73 N 3.70 0.66 0.25 -0.82 -2.24 -0.88 -0.97 114.28 113.98 1pls n THR 73 Ca 0.16 -0.42 0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1pls n THR 73 Cb 0.40 -0.35 0.71 0.00 -2.10 0.00 0.00 70.33 68.99 1pls n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pls h THR 74 N -0.60 0.00 -0.37 4.28 1.03 -1.85 0.14 112.91 115.54 1pls h THR 74 Ca -0.44 0.00 -0.10 0.00 -0.01 0.00 0.00 66.41 65.86 1pls h THR 74 Cb 1.35 0.58 -0.06 0.00 -1.07 0.00 0.00 68.15 68.95 1pls h THR 74 CO 0.36 0.00 0.13 0.29 -0.01 0.00 0.00 175.52 176.29 1pls n LYS 75 N -2.56 2.49 -2.98 0.00 5.02 -1.26 -4.84 118.16 114.03 1pls n LYS 75 Ca -0.02 -1.58 -0.21 0.00 -2.02 0.00 0.00 58.31 54.48 1pls n LYS 75 Cb 0.24 -1.79 0.03 0.00 -0.02 0.00 0.00 35.03 33.50 1pls n LYS 75 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1pls n GLN 76 N 0.07 -4.68 -3.38 1.97 -0.06 0.48 -4.94 117.38 106.84 1pls n GLN 76 Ca 0.20 0.86 -0.45 0.00 -2.00 0.00 0.00 57.00 55.61 1pls n GLN 76 Cb 0.87 -5.61 -0.04 0.00 -4.06 0.00 0.00 30.24 21.40 1pls n GLN 76 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 1pls s GLN 77 N -5.64 3.21 0.66 3.69 0.74 -1.20 -4.88 119.66 116.23 1pls s GLN 77 Ca 0.29 -2.17 -0.16 0.00 0.05 0.00 0.00 55.36 53.36 1pls s GLN 77 Cb -0.13 -4.27 -0.00 0.00 1.10 0.00 0.00 33.01 29.71 1pls s GLN 77 CO 0.36 -1.28 1.17 -0.51 -0.55 0.00 0.00 175.29 174.47 1pls s ASP 78 N 2.50 4.88 -0.19 6.67 1.01 -1.26 -2.08 116.67 128.20 1pls s ASP 78 Ca 0.12 2.22 -0.04 0.00 0.71 0.00 0.00 52.55 55.56 1pls s ASP 78 Cb -0.19 -2.58 0.10 0.00 1.01 0.00 0.00 42.92 41.26 1pls s ASP 78 CO -0.04 -1.79 0.31 -1.00 0.21 0.00 0.00 175.17 172.86 1pls s HIS 79 N -2.00 -0.57 -0.21 4.23 3.76 0.07 -4.93 115.29 115.64 1pls s HIS 79 Ca 0.72 0.86 -0.05 0.00 -0.15 0.00 0.00 55.06 56.44 1pls s HIS 79 Cb -0.26 -0.04 -0.02 0.00 1.11 0.00 0.00 32.58 33.37 1pls s HIS 79 CO 0.39 -0.54 0.01 -0.06 -0.85 0.00 0.00 174.74 173.69 1pls s PHE 80 N 2.47 3.05 0.22 1.40 0.40 -1.26 -1.40 117.98 122.86 1pls s PHE 80 Ca 0.05 -0.46 0.05 0.00 -0.60 0.00 0.00 56.93 55.97 1pls s PHE 80 Cb -0.14 -2.10 -0.02 0.00 0.51 0.00 0.00 43.02 41.27 1pls s PHE 80 CO -0.12 -0.25 0.17 1.97 0.70 0.00 0.00 175.22 177.69 1pls n PHE 81 N 4.31 -0.42 -3.74 0.36 -1.74 -1.06 -1.15 117.46 114.02 1pls n PHE 81 Ca -0.17 -1.80 -0.13 0.00 -0.56 0.00 0.00 57.45 54.79 1pls n PHE 81 Cb 0.52 0.16 -0.11 0.00 1.52 0.00 0.00 39.48 41.57 1pls n PHE 81 CO 0.00 0.00 0.00 -1.14 -0.56 0.00 0.00 176.76 175.06 1pls s GLN 82 N -2.90 0.42 0.00 3.97 0.74 -0.13 -1.67 119.66 120.09 1pls s GLN 82 Ca 0.24 0.56 0.00 0.00 0.05 0.00 0.00 55.36 56.21 1pls s GLN 82 Cb 0.01 0.16 0.00 0.00 1.10 0.00 0.00 33.01 34.28 1pls s GLN 82 CO 0.17 -0.07 0.00 0.00 -0.55 0.00 0.00 175.29 174.84 1pls n ALA 83 N 3.14 0.00 0.19 1.58 0.00 -0.94 -2.23 120.51 122.26 1pls n ALA 83 Ca -0.15 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.31 1pls n ALA 83 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 1pls n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pls n ALA 84 N -3.00 2.56 -3.73 0.00 0.00 -1.26 -4.74 120.51 110.34 1pls n ALA 84 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.30 1pls n ALA 84 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 19.45 19.27 1pls n ALA 84 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1pls s PHE 85 N -1.58 -0.07 0.15 0.00 -0.12 -1.26 -4.93 117.98 110.17 1pls s PHE 85 Ca 0.01 -0.16 -0.17 0.00 -0.05 0.00 0.00 56.93 56.55 1pls s PHE 85 Cb 0.04 0.61 0.04 0.00 -0.63 0.00 0.00 43.02 43.07 1pls s PHE 85 CO 0.20 -0.61 1.72 1.25 -0.05 0.00 0.00 175.22 177.73 1pls h LEU 86 N 2.00 -0.05 -0.12 -1.99 6.46 -1.96 -0.17 115.31 119.47 1pls h LEU 86 Ca -0.27 0.06 0.03 0.00 -0.12 0.00 0.00 57.88 57.58 1pls h LEU 86 Cb 1.22 0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 41.18 1pls h LEU 86 CO 0.28 0.01 -0.52 -0.08 -0.62 0.00 0.00 178.44 177.51 1pls h GLU 87 N 0.13 -0.54 0.00 1.25 4.22 -1.99 0.34 114.58 117.98 1pls h GLU 87 Ca 0.15 0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.62 1pls h GLU 87 Cb 0.18 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1pls h GLU 87 CO -0.22 -0.36 -0.02 1.49 -2.18 0.00 0.00 179.01 177.72 1pls h GLU 88 N -0.56 0.00 0.42 1.92 4.81 -1.89 -1.74 114.58 117.54 1pls h GLU 88 Ca 0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1pls h GLU 88 Cb 0.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1pls h GLU 88 CO -0.42 0.02 -0.20 -0.09 -0.73 0.00 0.00 179.01 177.59 1pls h ARG 89 N 0.00 -0.55 0.00 1.92 1.12 0.15 -1.22 114.38 115.80 1pls h ARG 89 Ca -0.00 0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.91 1pls h ARG 89 Cb 0.09 0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.17 1pls h ARG 89 CO 0.00 -0.36 0.00 -3.47 -3.11 0.00 0.00 179.97 173.03 1pls n ASP 90 N -4.24 0.38 0.13 -3.80 -0.08 -0.57 -1.55 116.55 106.81 1pls n ASP 90 Ca -0.07 0.62 -0.23 0.00 -1.51 0.00 0.00 54.79 53.60 1pls n ASP 90 Cb 0.22 -0.69 -0.15 0.00 2.34 0.00 0.00 41.12 42.84 1pls n ASP 90 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pls h ALA 91 N 2.22 -0.05 0.00 -1.67 0.00 -1.18 -2.53 119.26 116.04 1pls h ALA 91 Ca 0.00 -0.93 -0.19 0.00 0.00 0.00 0.00 54.91 53.80 1pls h ALA 91 Cb 0.19 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1pls h ALA 91 CO 0.00 0.81 -0.88 -1.49 0.00 0.00 0.00 179.25 177.69 1pls h TRP 92 N 0.13 0.00 -0.01 0.00 4.06 -0.60 -2.52 115.95 117.01 1pls h TRP 92 Ca -0.26 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.53 1pls h TRP 92 Cb 2.13 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 30.27 1pls h TRP 92 CO 0.11 0.88 -0.72 -0.39 -3.56 0.00 0.00 178.44 174.76 1pls h VAL 93 N 0.00 1.48 0.00 1.49 -1.51 -1.36 -2.08 116.25 114.27 1pls h VAL 93 Ca -0.01 -2.37 -0.08 0.00 -1.23 0.00 0.00 66.70 63.02 1pls h VAL 93 Cb 1.59 2.28 -0.01 0.00 -2.13 0.00 0.00 31.29 33.01 1pls h VAL 93 CO 0.11 0.68 -0.63 0.08 -1.23 0.00 0.00 177.57 176.59 1pls h ARG 94 N 0.06 0.00 0.00 5.19 0.11 -1.44 -2.48 114.38 115.83 1pls h ARG 94 Ca -0.02 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.02 1pls h ARG 94 Cb 1.28 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.35 1pls h ARG 94 CO 0.10 0.26 -0.31 -0.44 0.10 0.00 0.00 179.97 179.69 1pls h ASP 95 N 0.00 0.00 -0.66 0.08 5.19 -1.38 -0.93 116.42 118.72 1pls h ASP 95 Ca -0.03 -0.46 -0.08 0.00 -0.62 0.00 0.00 57.03 55.84 1pls h ASP 95 Cb 1.27 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.75 1pls h ASP 95 CO 0.04 0.90 0.11 0.40 -3.12 0.00 0.00 179.24 177.56 1pls h ILE 96 N -1.00 1.26 0.33 0.35 2.04 -1.54 -2.03 117.51 116.92 1pls h ILE 96 Ca -0.06 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 1pls h ILE 96 Cb 0.68 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1pls h ILE 96 CO -0.04 0.39 -0.16 -1.13 0.00 0.00 0.00 178.15 177.21 1pls h ASN 97 N 1.03 -0.38 -0.80 1.72 -0.73 -1.59 -2.57 115.58 112.26 1pls h ASN 97 Ca 0.20 -0.16 0.16 0.00 1.87 0.00 0.00 56.30 58.38 1pls h ASN 97 Cb 0.44 0.10 -0.15 0.00 0.27 0.00 0.00 38.32 38.98 1pls h ASN 97 CO 0.01 0.07 -0.17 0.50 -0.37 0.00 0.00 177.43 177.47 1pls h LYS 98 N -0.95 0.01 -0.67 6.67 3.64 -1.14 0.47 116.57 124.60 1pls h LYS 98 Ca -0.05 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1pls h LYS 98 Cb 0.51 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.28 1pls h LYS 98 CO 0.08 0.01 0.38 0.00 -2.27 0.00 0.00 179.45 177.64 1pls h ALA 99 N 1.79 0.89 0.67 5.00 0.00 -1.37 0.82 119.26 127.06 1pls h ALA 99 Ca 0.39 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 1pls h ALA 99 Cb 0.61 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1pls h ALA 99 CO -0.81 0.08 -0.44 0.82 0.00 0.00 0.00 179.25 178.90 1pls h ILE 100 N 0.72 0.11 0.00 0.00 5.03 0.32 0.17 117.51 123.85 1pls h ILE 100 Ca 0.29 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 65.03 1pls h ILE 100 Cb 0.14 0.11 0.00 0.00 -3.03 0.00 0.00 36.82 34.03 1pls h ILE 100 CO -0.16 0.00 0.00 2.29 -0.68 0.00 0.00 178.15 179.60 1pls n LYS 101 N -5.57 0.03 0.04 2.37 2.85 -0.49 -1.13 118.16 116.26 1pls n LYS 101 Ca -0.13 0.43 0.06 0.00 -1.05 0.00 0.00 58.31 57.62 1pls n LYS 101 Cb 0.46 -1.57 -0.07 0.00 -0.65 0.00 0.00 35.03 33.19 1pls n LYS 101 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1pls h ILE 103 N 0.00 0.39 0.00 0.00 1.08 0.84 -2.92 117.51 116.89 1pls h ILE 103 Ca -0.10 -1.61 0.00 0.00 -0.39 0.00 0.00 64.86 62.76 1pls h ILE 103 Cb 1.30 2.02 0.00 0.00 -3.07 0.00 0.00 36.82 37.07 1pls h ILE 103 CO 0.02 0.22 0.00 -0.62 -0.69 0.00 0.00 178.15 177.08 1pls n GLU 104 N -2.99 0.09 0.00 2.37 1.02 -1.02 -2.25 120.64 117.86 1pls n GLU 104 Ca -0.01 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1pls n GLU 104 Cb 0.67 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 1pls n GLU 104 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pls n GLY 105 N -0.24 -0.52 2.73 0.62 0.00 -1.21 -4.85 105.19 101.72 1pls n GLY 105 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1pls n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pls n LEU 106 N -0.19 6.56 -4.14 0.99 4.77 -0.95 -5.04 117.00 118.99 1pls n LEU 106 Ca 0.00 -5.45 -0.35 0.00 -0.03 0.00 0.00 56.01 50.18 1pls n LEU 106 Cb 0.38 -0.99 0.07 0.00 -2.33 0.00 0.00 43.42 40.56 1pls n LEU 106 CO 0.00 2.12 -1.08 -0.62 -1.33 0.00 0.00 177.39 176.48 1pls n GLU 107 N -0.14 -0.26 0.00 3.23 1.02 -1.26 -4.97 120.64 118.26 1pls n GLU 107 Ca 0.43 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1pls n GLU 107 Cb 0.30 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1pls n GLU 107 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1pls n HIS 108 N -3.19 0.00 -1.86 -0.32 8.25 -1.26 -4.99 115.22 111.85 1pls n HIS 108 Ca 0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.45 1pls n HIS 108 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 1pls n HIS 108 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1pls n HIS 109 N 0.00 -0.91 -2.36 4.41 8.25 -1.26 -5.03 115.22 118.32 1pls n HIS 109 Ca 0.00 0.37 -0.02 0.00 -0.26 0.00 0.00 57.72 57.81 1pls n HIS 109 Cb 0.00 -2.18 0.04 0.00 1.12 0.00 0.00 29.99 28.96 1pls n HIS 109 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1pls n HIS 110 N -0.48 -0.71 -2.23 4.41 -0.00 -1.26 -5.10 115.22 109.86 1pls n HIS 110 Ca 0.03 -0.65 -0.42 0.00 0.46 0.00 0.00 57.72 57.15 1pls n HIS 110 Cb 0.14 0.85 -0.03 0.00 -0.12 0.00 0.00 29.99 30.83 1pls n HIS 110 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1pls s HIS 111 N 0.04 2.10 0.00 1.57 3.76 -1.26 -4.87 115.29 116.64 1pls s HIS 111 Ca 0.03 0.62 0.00 0.00 -0.15 0.00 0.00 55.06 55.56 1pls s HIS 111 Cb 0.15 -4.26 0.00 0.00 1.11 0.00 0.00 32.58 29.58 1pls s HIS 111 CO -0.04 -2.27 0.00 1.58 -0.85 0.00 0.00 174.74 173.16 1pls n HIS 112 N 10.02 0.00 1.70 1.40 -0.00 -1.26 -5.34 115.22 121.74 1pls n HIS 112 Ca 0.17 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 58.04 1pls n HIS 112 Cb 0.49 0.00 0.70 0.00 -0.00 0.00 0.00 29.99 31.18 1pls n HIS 112 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06