#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pls s GLU 2 N 0.00 1.91 0.39 3.17 8.01 -1.26 -5.07 118.70 125.85 1pls s GLU 2 Ca 0.00 -1.21 -0.23 0.00 0.01 0.00 0.00 54.97 53.54 1pls s GLU 2 Cb 0.00 -2.42 -0.10 0.00 -4.31 0.00 0.00 34.13 27.29 1pls s GLU 2 CO 0.00 -1.24 0.97 -1.25 0.01 0.00 0.00 175.26 173.75 1pls s PRO 3 N -4.99 4.32 -0.38 0.39 0.04 -1.26 -5.04 135.00 128.07 1pls s PRO 3 Ca 0.64 1.26 0.01 0.00 0.04 0.00 0.00 61.00 62.95 1pls s PRO 3 Cb -0.06 -2.43 0.14 0.00 0.04 0.00 0.00 34.50 32.18 1pls s PRO 3 CO 0.42 0.04 0.22 0.15 0.04 0.00 0.00 177.00 177.86 1pls s LYS 4 N -2.71 0.82 0.28 4.56 1.02 -1.26 -5.12 119.74 117.33 1pls s LYS 4 Ca 0.58 -1.55 0.06 0.00 0.02 0.00 0.00 55.97 55.08 1pls s LYS 4 Cb -0.14 -1.70 -0.03 0.00 -0.52 0.00 0.00 37.83 35.44 1pls s LYS 4 CO 0.19 -1.18 0.34 1.03 -0.92 0.00 0.00 175.35 174.81 1pls s ARG 5 N 0.85 3.18 -0.07 1.68 3.00 -1.26 -4.58 118.95 121.75 1pls s ARG 5 Ca 0.17 -0.94 0.08 0.00 0.00 0.00 0.00 55.73 55.05 1pls s ARG 5 Cb -0.23 -2.76 -0.24 0.00 0.00 0.00 0.00 34.95 31.72 1pls s ARG 5 CO -0.01 0.30 0.58 -0.89 0.00 0.00 0.00 175.30 175.28 1pls n ILE 6 N -1.41 1.64 -4.06 1.52 5.41 -0.47 -4.96 119.36 117.03 1pls n ILE 6 Ca -0.06 -0.77 -0.08 0.00 1.00 0.00 0.00 62.75 62.85 1pls n ILE 6 Cb 0.58 -1.18 -0.10 0.00 -0.71 0.00 0.00 39.64 38.22 1pls n ILE 6 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1pls s ARG 7 N -2.59 0.54 -0.29 0.38 3.52 -1.01 -5.01 118.95 114.49 1pls s ARG 7 Ca -0.09 -1.07 -0.16 0.00 -0.13 0.00 0.00 55.73 54.28 1pls s ARG 7 Cb 0.08 0.18 0.16 0.00 -1.56 0.00 0.00 34.95 33.81 1pls s ARG 7 CO 0.81 -0.09 1.03 -1.83 -0.81 0.00 0.00 175.30 174.40 1pls s GLU 8 N -3.32 0.30 0.00 5.12 1.03 -1.26 -1.27 118.70 119.30 1pls s GLU 8 Ca 0.01 0.59 0.00 0.00 0.03 0.00 0.00 54.97 55.61 1pls s GLU 8 Cb 0.04 0.19 0.00 0.00 -0.80 0.00 0.00 34.13 33.55 1pls s GLU 8 CO -0.08 -0.08 0.00 0.41 -1.33 0.00 0.00 175.26 174.19 1pls n GLY 9 N 4.10 3.13 2.56 -3.83 0.00 -0.78 -4.99 105.19 105.38 1pls n GLY 9 Ca -0.15 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.70 1.08 0.39 1.61 1.13 -1.26 -1.77 117.35 117.84 1pls s TYR 10 Ca 0.00 -1.75 0.08 0.00 -1.41 0.00 0.00 57.07 53.98 1pls s TYR 10 Cb 0.00 -1.23 -0.04 0.00 -1.10 0.00 0.00 41.96 39.59 1pls s TYR 10 CO 0.00 -0.82 0.25 -0.51 -2.51 0.00 0.00 175.55 171.96 1pls s LEU 11 N 1.05 3.29 -0.24 -3.49 2.01 -0.06 -4.61 118.68 116.62 1pls s LEU 11 Ca 0.16 -0.84 -0.10 0.00 0.01 0.00 0.00 54.13 53.35 1pls s LEU 11 Cb -0.22 -1.79 -0.05 0.00 0.01 0.00 0.00 46.19 44.14 1pls s LEU 11 CO -0.06 -0.51 0.16 0.54 1.01 0.00 0.00 176.35 177.49 1pls s VAL 12 N -2.49 5.32 0.31 -1.59 0.11 -1.00 0.32 120.40 121.37 1pls s VAL 12 Ca 0.43 0.17 0.07 0.00 -2.93 0.00 0.00 61.98 59.71 1pls s VAL 12 Cb -0.01 -3.48 -0.03 0.00 -1.53 0.00 0.00 36.38 31.33 1pls s VAL 12 CO 0.25 0.34 0.31 -0.54 -3.33 0.00 0.00 175.10 172.12 1pls s LYS 13 N 1.13 2.88 -0.39 1.54 1.02 -0.92 -1.92 119.74 123.08 1pls s LYS 13 Ca 0.07 -1.16 -0.28 0.00 0.02 0.00 0.00 55.97 54.62 1pls s LYS 13 Cb -0.14 -2.58 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 1pls s LYS 13 CO 0.05 0.18 1.82 0.21 -0.92 0.00 0.00 175.35 176.69 1pls s LYS 14 N -3.99 3.16 0.21 1.68 2.36 -0.57 -2.58 119.74 120.01 1pls s LYS 14 Ca 0.39 1.26 -0.28 0.00 -2.55 0.00 0.00 55.97 54.79 1pls s LYS 14 Cb -0.07 -4.25 -0.17 0.00 -1.05 0.00 0.00 37.83 32.30 1pls s LYS 14 CO 0.27 -2.07 0.58 0.41 1.55 0.00 0.00 175.35 176.08 1pls n GLY 15 N 5.49 -1.57 2.59 5.54 0.00 0.62 -4.76 105.19 113.09 1pls n GLY 15 Ca 0.23 0.34 -0.41 0.00 0.00 0.00 0.00 46.02 46.18 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 1.91 6.68 0.00 1.61 3.41 -1.26 -3.95 113.62 122.02 1pls n SER 16 Ca 0.17 -2.94 0.00 0.00 -0.26 0.00 0.00 58.87 55.84 1pls n SER 16 Cb 0.26 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.71 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 3.21 0.00 -3.24 -3.33 0.24 -1.26 -5.03 118.33 108.92 1pls n VAL 17 Ca 0.58 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.64 1pls n VAL 17 Cb 0.30 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.61 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 -0.20 1.52 -3.09 6.34 3.01 -1.26 -4.96 117.46 118.81 1pls n PHE 18 Ca 0.00 -3.84 -0.14 0.00 1.01 0.00 0.00 57.45 54.48 1pls n PHE 18 Cb 0.00 -0.44 0.01 0.00 -0.01 0.00 0.00 39.48 39.04 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 0.88 -7.21 -4.35 4.37 4.13 -1.26 -5.02 115.26 106.79 1pls n ASN 19 Ca 0.26 0.17 -0.22 0.00 1.68 0.00 0.00 54.58 56.47 1pls n ASN 19 Cb 0.49 -4.35 -0.10 0.00 -1.54 0.00 0.00 39.78 34.28 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 -2.47 0.95 -0.05 3.41 -4.23 -1.25 -4.96 115.64 107.04 1pls s THR 20 Ca 0.21 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.70 1pls s THR 20 Cb -0.05 -2.63 0.03 0.00 1.34 0.00 0.00 72.50 71.19 1pls s THR 20 CO 0.80 0.00 0.09 0.26 -0.54 0.00 0.00 174.62 175.22 1pls s TRP 21 N -3.31 -0.02 -0.13 3.99 0.52 -1.26 -0.27 118.94 118.46 1pls s TRP 21 Ca 0.32 0.35 -0.10 0.00 0.02 0.00 0.00 56.10 56.69 1pls s TRP 21 Cb 0.07 -0.37 0.04 0.00 -1.15 0.00 0.00 33.47 32.06 1pls s TRP 21 CO 0.15 -0.20 0.33 0.15 0.02 0.00 0.00 176.95 177.40 1pls s LYS 22 N 2.00 0.35 1.01 4.98 1.02 -1.07 -4.87 119.74 123.17 1pls s LYS 22 Ca 0.02 0.54 -0.14 0.00 0.02 0.00 0.00 55.97 56.41 1pls s LYS 22 Cb -0.12 0.09 0.08 0.00 -0.52 0.00 0.00 37.83 37.35 1pls s LYS 22 CO -0.04 -0.09 0.36 -2.30 -0.92 0.00 0.00 175.35 172.36 1pls n PRO 23 N 3.43 -0.80 -3.61 -1.68 -0.02 -1.26 -2.17 135.00 128.88 1pls n PRO 23 Ca -0.17 -0.20 -0.01 0.00 -2.02 0.00 0.00 63.50 61.10 1pls n PRO 23 Cb 0.56 -1.85 -0.01 0.00 -0.02 0.00 0.00 33.50 32.18 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 -3.67 0.20 0.11 -0.52 0.23 0.15 -4.73 119.30 111.06 1pls s MET 24 Ca 0.58 -0.09 -0.14 0.00 -1.03 0.00 0.00 55.69 55.00 1pls s MET 24 Cb -0.19 0.08 -0.07 0.00 -1.53 0.00 0.00 34.83 33.13 1pls s MET 24 CO 0.66 -0.09 0.51 -0.46 -2.03 0.00 0.00 175.02 173.62 1pls s TRP 25 N -2.24 3.65 -0.16 3.16 -0.11 -0.59 -0.88 118.94 121.77 1pls s TRP 25 Ca 0.12 1.04 -0.10 0.00 1.22 0.00 0.00 56.10 58.39 1pls s TRP 25 Cb 0.02 -2.35 0.05 0.00 -1.50 0.00 0.00 33.47 29.69 1pls s TRP 25 CO -0.04 0.49 0.39 0.54 -4.62 0.00 0.00 176.95 173.70 1pls s VAL 26 N -1.36 -0.02 -0.33 5.86 0.11 -0.73 -0.30 120.40 123.64 1pls s VAL 26 Ca 0.34 0.07 0.03 0.00 -2.93 0.00 0.00 61.98 59.50 1pls s VAL 26 Cb -0.16 -0.57 0.10 0.00 -1.53 0.00 0.00 36.38 34.22 1pls s VAL 26 CO 0.18 0.03 0.05 0.68 -3.33 0.00 0.00 175.10 172.71 1pls s VAL 27 N 1.06 2.08 0.11 2.04 -7.23 -0.98 -1.87 120.40 115.61 1pls s VAL 27 Ca -0.07 -2.17 -0.30 0.00 -1.81 0.00 0.00 61.98 57.63 1pls s VAL 27 Cb -0.07 -2.52 -0.06 0.00 0.56 0.00 0.00 36.38 34.29 1pls s VAL 27 CO -0.09 -0.57 1.16 -1.48 -0.31 0.00 0.00 175.10 173.81 1pls s LEU 28 N 1.01 4.41 0.39 1.32 0.05 -0.40 -2.33 118.68 123.13 1pls s LEU 28 Ca 0.09 2.05 0.08 0.00 0.05 0.00 0.00 54.13 56.40 1pls s LEU 28 Cb -0.19 -3.59 -0.07 0.00 -2.05 0.00 0.00 46.19 40.30 1pls s LEU 28 CO -0.10 -0.38 0.04 -0.76 -0.55 0.00 0.00 176.35 174.60 1pls s LEU 29 N 0.48 2.93 0.00 1.48 1.02 -0.10 -1.37 118.68 123.12 1pls s LEU 29 Ca 0.55 -1.22 0.23 0.00 0.02 0.00 0.00 54.13 53.71 1pls s LEU 29 Cb -0.29 -1.11 1.37 0.00 0.02 0.00 0.00 46.19 46.18 1pls s LEU 29 CO 0.32 -0.41 1.75 -1.84 0.02 0.00 0.00 176.35 176.19 1pls n GLU 30 N -1.01 0.71 0.00 1.70 0.28 -1.26 -2.47 120.64 118.59 1pls n GLU 30 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1pls n GLU 30 Cb 0.65 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.02 1pls n GLU 30 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1pls n ASP 31 N -1.01 0.59 0.00 -1.84 8.00 -1.26 -4.69 116.55 116.34 1pls n ASP 31 Ca 0.17 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.87 1pls n ASP 31 Cb 0.08 0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 1pls n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pls n GLY 32 N 0.34 3.57 3.52 0.44 0.00 -1.03 -4.18 105.19 107.85 1pls n GLY 32 Ca 0.00 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.00 5.05 -0.42 -0.61 -1.09 -0.58 -0.92 121.20 120.62 1pls s ILE 33 Ca 0.00 -0.01 -0.08 0.00 -2.23 0.00 0.00 60.65 58.33 1pls s ILE 33 Cb 0.00 -4.00 0.09 0.00 -1.58 0.00 0.00 42.46 36.97 1pls s ILE 33 CO 0.00 -0.32 0.26 -1.61 -1.23 0.00 0.00 174.94 172.04 1pls s GLU 34 N 2.28 2.51 0.09 2.79 2.02 -0.99 -1.02 118.70 126.39 1pls s GLU 34 Ca 0.15 -1.55 0.08 0.00 0.02 0.00 0.00 54.97 53.67 1pls s GLU 34 Cb -0.16 -3.76 -0.04 0.00 0.10 0.00 0.00 34.13 30.27 1pls s GLU 34 CO 0.14 -1.00 -0.17 -0.59 0.02 0.00 0.00 175.26 173.66 1pls s PHE 35 N 1.37 2.58 0.00 1.61 -0.12 -1.00 -2.32 117.98 120.11 1pls s PHE 35 Ca 0.04 -0.24 0.00 0.00 -0.05 0.00 0.00 56.93 56.68 1pls s PHE 35 Cb -0.23 -1.39 0.00 0.00 -0.63 0.00 0.00 43.02 40.76 1pls s PHE 35 CO 0.01 0.36 0.00 0.66 -0.05 0.00 0.00 175.22 176.20 1pls n TYR 36 N 0.98 0.00 -0.06 3.49 4.02 0.59 -1.44 117.16 124.75 1pls n TYR 36 Ca -0.15 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.52 1pls n TYR 36 Cb 0.52 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.72 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 0.68 -3.13 -0.72 3.00 -1.26 -1.54 118.16 115.19 1pls n LYS 37 Ca 0.00 0.32 -0.18 0.00 -0.00 0.00 0.00 58.31 58.45 1pls n LYS 37 Cb 0.00 -1.66 -0.00 0.00 0.00 0.00 0.00 35.03 33.37 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 -3.74 0.96 -0.20 1.64 5.02 -1.26 -1.84 118.16 118.73 1pls n LYS 38 Ca -0.37 -2.33 0.30 0.00 -2.02 0.00 0.00 58.31 53.88 1pls n LYS 38 Cb 0.94 0.28 0.56 0.00 -0.02 0.00 0.00 35.03 36.79 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 -1.93 -3.33 116.57 116.92 1pls h LYS 39 Ca -0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1pls h LYS 39 Cb 0.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1pls h LYS 39 CO 0.38 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 177.99 1pls n SER 40 N -3.46 0.00 -0.02 4.20 7.64 -1.26 -4.90 113.62 115.82 1pls n SER 40 Ca 0.22 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.10 1pls n SER 40 Cb 1.37 0.15 -0.00 0.00 -1.01 0.00 0.00 64.21 64.72 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 -2.12 -5.67 -1.48 6.43 2.03 -1.25 -2.90 116.55 111.58 1pls n ASP 41 Ca 0.00 0.01 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 1pls n ASP 41 Cb 0.00 -3.19 -0.01 0.00 -0.72 0.00 0.00 41.12 37.20 1pls n ASP 41 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1pls n ASN 42 N -0.89 -1.11 -3.12 1.67 5.15 -1.26 -4.74 115.26 110.95 1pls n ASN 42 Ca -0.00 0.17 0.04 0.00 -0.60 0.00 0.00 54.58 54.19 1pls n ASN 42 Cb 0.45 -1.30 -0.00 0.00 -0.53 0.00 0.00 39.78 38.39 1pls n ASN 42 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1pls s SER 43 N -1.48 -0.92 0.12 1.20 0.15 -1.14 -5.13 113.70 106.51 1pls s SER 43 Ca 0.00 0.02 -0.35 0.00 0.70 0.00 0.00 55.95 56.31 1pls s SER 43 Cb 0.00 1.51 -0.15 0.00 -1.71 0.00 0.00 66.02 65.67 1pls s SER 43 CO 0.00 -0.16 1.45 -2.65 1.20 0.00 0.00 173.24 173.09 1pls n PRO 44 N 5.03 1.65 0.10 5.44 -0.02 -1.26 -4.65 135.00 141.29 1pls n PRO 44 Ca 0.08 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.27 1pls n PRO 44 Cb 0.57 -2.30 0.02 0.00 -0.02 0.00 0.00 33.50 31.77 1pls n PRO 44 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1pls h LYS 45 N 5.21 0.00 -1.20 -0.52 3.64 -1.55 -3.47 116.57 118.67 1pls h LYS 45 Ca -0.46 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.09 1pls h LYS 45 Cb 1.30 0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 32.80 1pls h LYS 45 CO 0.83 0.00 0.68 0.20 -2.27 0.00 0.00 179.45 178.89 1pls s GLY 46 N -4.30 0.40 -0.16 5.01 0.00 -1.10 -5.04 107.32 102.14 1pls s GLY 46 Ca 0.00 3.57 0.01 0.00 0.00 0.00 0.00 44.72 48.30 1pls s GLY 46 CO 0.78 2.51 -0.18 1.06 0.00 0.00 0.00 173.10 177.27 1pls s MET 47 N 0.85 2.74 0.06 2.90 -1.94 -1.26 -2.37 119.30 120.29 1pls s MET 47 Ca -0.05 -0.74 -0.19 0.00 -1.71 0.00 0.00 55.69 53.01 1pls s MET 47 Cb -0.03 -2.37 -0.06 0.00 2.01 0.00 0.00 34.83 34.37 1pls s MET 47 CO -0.12 -0.18 0.56 0.42 -0.01 0.00 0.00 175.02 175.70 1pls s ILE 48 N 1.25 4.77 0.14 2.53 1.01 -0.19 -4.91 121.20 125.81 1pls s ILE 48 Ca 0.02 1.20 -0.31 0.00 0.00 0.00 0.00 60.65 61.57 1pls s ILE 48 Cb -0.13 -3.89 -0.08 0.00 0.01 0.00 0.00 42.46 38.37 1pls s ILE 48 CO -0.10 0.54 1.31 -2.16 0.00 0.00 0.00 174.94 174.53 1pls s PRO 49 N -1.00 4.38 0.00 2.79 0.04 -1.26 -1.53 135.00 138.43 1pls s PRO 49 Ca 0.29 1.99 0.26 0.00 0.04 0.00 0.00 61.00 63.58 1pls s PRO 49 Cb -0.19 -3.25 1.53 0.00 0.04 0.00 0.00 34.50 32.62 1pls s PRO 49 CO 0.18 -0.31 1.91 -0.11 0.04 0.00 0.00 177.00 178.71 1pls n LEU 50 N 3.40 0.00 -3.85 -3.56 7.94 -1.26 -4.34 117.00 115.33 1pls n LEU 50 Ca 0.09 0.04 -0.19 0.00 -1.11 0.00 0.00 56.01 54.84 1pls n LEU 50 Cb 0.43 -0.04 -0.16 0.00 0.53 0.00 0.00 43.42 44.18 1pls n LEU 50 CO 0.57 -0.01 -0.39 -1.59 -1.11 0.00 0.00 177.39 174.87 1pls s LYS 51 N -2.08 0.56 0.00 1.96 -2.85 -1.26 -4.16 119.74 111.91 1pls s LYS 51 Ca 0.37 -0.00 0.00 0.00 -1.00 0.00 0.00 55.97 55.34 1pls s LYS 51 Cb 0.18 -0.67 0.00 0.00 -2.06 0.00 0.00 37.83 35.28 1pls s LYS 51 CO 0.31 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 176.05 1pls n GLY 52 N 4.16 0.24 4.01 0.59 0.00 -1.26 -4.64 105.19 108.29 1pls n GLY 52 Ca -0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 1pls n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pls s SER 53 N -2.42 5.29 0.13 1.61 0.01 -1.26 0.25 113.70 117.31 1pls s SER 53 Ca 0.00 -0.43 0.04 0.00 1.31 0.00 0.00 55.95 56.87 1pls s SER 53 Cb 0.00 -0.40 -0.04 0.00 0.21 0.00 0.00 66.02 65.79 1pls s SER 53 CO 0.00 -1.11 -0.10 0.28 0.41 0.00 0.00 173.24 172.72 1pls s THR 54 N -2.61 1.07 -0.24 1.44 -1.32 -0.06 -4.82 115.64 109.11 1pls s THR 54 Ca 0.58 -1.91 0.01 0.00 -1.21 0.00 0.00 61.69 59.17 1pls s THR 54 Cb -0.08 -1.67 0.06 0.00 -1.51 0.00 0.00 72.50 69.29 1pls s THR 54 CO 0.37 -0.68 -0.08 -0.22 -2.21 0.00 0.00 174.62 171.80 1pls s LEU 55 N -2.90 2.76 -0.38 9.08 1.98 -1.26 -1.26 118.68 126.69 1pls s LEU 55 Ca 0.12 -1.19 -0.12 0.00 -2.89 0.00 0.00 54.13 50.05 1pls s LEU 55 Cb 0.01 -1.29 0.02 0.00 0.66 0.00 0.00 46.19 45.59 1pls s LEU 55 CO 0.00 -0.21 0.24 -0.89 -1.89 0.00 0.00 176.35 173.60 1pls s THR 56 N 1.31 4.82 -0.13 3.68 2.01 0.06 -4.98 115.64 122.42 1pls s THR 56 Ca -0.06 -0.77 -0.07 0.00 0.31 0.00 0.00 61.69 61.10 1pls s THR 56 Cb -0.19 -3.68 0.05 0.00 0.01 0.00 0.00 72.50 68.69 1pls s THR 56 CO -0.06 -0.25 0.31 -0.94 -0.69 0.00 0.00 174.62 172.99 1pls s SER 57 N 1.60 -0.36 0.48 3.53 1.04 -1.26 -1.79 113.70 116.93 1pls s SER 57 Ca 0.03 0.67 -0.20 0.00 0.48 0.00 0.00 55.95 56.94 1pls s SER 57 Cb -0.19 0.57 -0.09 0.00 0.10 0.00 0.00 66.02 66.41 1pls s SER 57 CO 0.08 -0.17 1.01 -2.16 0.98 0.00 0.00 173.24 172.98 1pls s PRO 58 N 1.17 3.89 0.57 4.02 0.04 -1.26 -5.12 135.00 138.31 1pls s PRO 58 Ca -0.08 1.24 -0.02 0.00 0.04 0.00 0.00 61.00 62.18 1pls s PRO 58 Cb -0.09 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.36 1pls s PRO 58 CO -0.09 -0.34 0.83 0.00 0.04 0.00 0.00 177.00 177.44 1pls s GLN 60 N -4.87 0.36 0.00 0.00 0.74 -1.26 -4.67 119.66 109.96 1pls s GLN 60 Ca 0.55 0.59 0.00 0.00 0.05 0.00 0.00 55.36 56.55 1pls s GLN 60 Cb -0.10 0.32 0.00 0.00 1.10 0.00 0.00 33.01 34.32 1pls s GLN 60 CO 0.41 -0.44 0.00 -3.47 -0.55 0.00 0.00 175.29 171.24 1pls n ASP 61 N 5.42 0.00 -0.04 6.67 2.03 -1.26 -4.84 116.55 124.53 1pls n ASP 61 Ca -0.02 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.26 1pls n ASP 61 Cb 0.53 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.92 1pls n ASP 61 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1pls h PHE 62 N 0.00 0.00 0.00 -0.67 3.04 -1.99 -3.41 116.94 113.91 1pls h PHE 62 Ca 0.00 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 1pls h PHE 62 Cb 0.00 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 1pls h PHE 62 CO 0.00 0.00 -1.52 0.41 -2.02 0.00 0.00 178.31 175.18 1pls n GLY 63 N 1.68 -1.22 3.39 2.40 0.00 -1.26 -4.94 105.19 105.24 1pls n GLY 63 Ca -0.04 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 1pls n GLY 63 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1pls n LYS 64 N -2.58 -0.89 -3.02 1.61 2.85 -1.26 -4.68 118.16 110.19 1pls n LYS 64 Ca -0.06 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1pls n LYS 64 Cb 0.65 -2.46 0.00 0.00 -0.65 0.00 0.00 35.03 32.57 1pls n LYS 64 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1pls n ARG 65 N -2.79 -1.16 0.00 -1.58 0.63 -1.26 -4.89 116.66 105.61 1pls n ARG 65 Ca -0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 1pls n ARG 65 Cb 0.32 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.23 1pls n ARG 65 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1pls n MET 66 N -0.00 0.00 -3.18 -0.14 2.81 -1.26 -3.39 117.12 111.96 1pls n MET 66 Ca 0.00 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.54 1pls n MET 66 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 1pls n MET 66 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1pls n PHE 67 N 0.00 2.99 -4.30 2.03 3.01 -1.26 -5.02 117.46 114.90 1pls n PHE 67 Ca 0.00 -3.37 -0.34 0.00 1.01 0.00 0.00 57.45 54.75 1pls n PHE 67 Cb 0.00 -0.89 -0.11 0.00 -0.01 0.00 0.00 39.48 38.46 1pls n PHE 67 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1pls s VAL 68 N -2.78 4.13 0.41 -4.37 0.11 -1.22 -2.30 120.40 114.39 1pls s VAL 68 Ca 0.36 -0.27 0.08 0.00 -2.93 0.00 0.00 61.98 59.22 1pls s VAL 68 Cb 0.11 -2.82 -0.03 0.00 -1.53 0.00 0.00 36.38 32.11 1pls s VAL 68 CO 0.04 0.49 0.30 0.72 -3.33 0.00 0.00 175.10 173.32 1pls s PHE 69 N 0.32 2.69 -0.19 1.54 -0.71 -0.72 -3.03 117.98 117.89 1pls s PHE 69 Ca -0.02 -0.50 -0.04 0.00 -1.04 0.00 0.00 56.93 55.34 1pls s PHE 69 Cb -0.14 -2.06 0.06 0.00 -1.21 0.00 0.00 43.02 39.68 1pls s PHE 69 CO 0.02 0.01 0.06 0.21 -1.34 0.00 0.00 175.22 174.18 1pls s LYS 70 N -4.04 0.43 0.43 1.99 2.20 -0.74 -2.56 119.74 117.44 1pls s LYS 70 Ca 0.45 -0.32 0.02 0.00 -0.36 0.00 0.00 55.97 55.76 1pls s LYS 70 Cb -0.01 -1.98 -0.00 0.00 -1.51 0.00 0.00 37.83 34.33 1pls s LYS 70 CO 0.26 -0.67 0.62 0.42 -0.36 0.00 0.00 175.35 175.62 1pls s ILE 71 N 1.96 3.84 -0.36 5.43 1.01 -0.86 -0.76 121.20 131.47 1pls s ILE 71 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1pls s ILE 71 Cb -0.17 -3.39 0.14 0.00 0.01 0.00 0.00 42.46 39.05 1pls s ILE 71 CO -0.10 -0.24 0.22 -0.89 0.00 0.00 0.00 174.94 173.93 1pls s THR 72 N -2.46 0.26 0.80 2.92 2.01 -0.39 -1.48 115.64 117.30 1pls s THR 72 Ca 0.49 -1.80 -0.15 0.00 0.31 0.00 0.00 61.69 60.54 1pls s THR 72 Cb -0.10 -1.20 0.02 0.00 0.01 0.00 0.00 72.50 71.23 1pls s THR 72 CO 0.36 -0.99 0.75 0.35 -0.69 0.00 0.00 174.62 174.40 1pls n THR 73 N 3.98 1.58 0.31 -0.82 -2.24 -0.86 -0.88 114.28 115.34 1pls n THR 73 Ca 0.12 -0.29 0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1pls n THR 73 Cb 0.37 -0.89 0.66 0.00 -2.10 0.00 0.00 70.33 68.37 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 -0.78 0.00 -0.37 4.28 1.03 0.30 0.26 112.91 117.63 1pls h THR 74 Ca -0.45 0.00 -0.15 0.00 -0.01 0.00 0.00 66.41 65.79 1pls h THR 74 Cb 1.32 0.53 -0.09 0.00 -1.07 0.00 0.00 68.15 68.84 1pls h THR 74 CO 0.42 0.00 0.19 1.17 -0.01 0.00 0.00 175.52 177.29 1pls n LYS 75 N -2.71 1.89 -2.49 0.00 3.00 -1.26 -4.82 118.16 111.77 1pls n LYS 75 Ca -0.02 -1.30 -0.15 0.00 -0.00 0.00 0.00 58.31 56.84 1pls n LYS 75 Cb 0.44 -1.60 -0.01 0.00 0.00 0.00 0.00 35.03 33.86 1pls n LYS 75 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1pls n GLN 76 N -0.05 -2.23 -3.20 1.64 7.27 0.92 -4.90 117.38 116.83 1pls n GLN 76 Ca 0.21 0.71 -0.44 0.00 0.07 0.00 0.00 57.00 57.55 1pls n GLN 76 Cb 0.89 -5.34 -0.07 0.00 2.41 0.00 0.00 30.24 28.14 1pls n GLN 76 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1pls s GLN 77 N -5.10 3.10 0.13 3.69 -0.44 -1.20 -4.88 119.66 114.96 1pls s GLN 77 Ca 0.03 -0.94 -0.30 0.00 -2.50 0.00 0.00 55.36 51.65 1pls s GLN 77 Cb -0.01 -4.09 -0.07 0.00 -1.64 0.00 0.00 33.01 27.20 1pls s GLN 77 CO 0.03 -1.17 1.13 -0.51 0.50 0.00 0.00 175.29 175.28 1pls s ASP 78 N 2.61 7.20 -0.32 6.67 1.01 -1.26 -2.04 116.67 130.54 1pls s ASP 78 Ca 0.13 2.04 0.02 0.00 0.71 0.00 0.00 52.55 55.46 1pls s ASP 78 Cb -0.20 -2.59 0.10 0.00 1.01 0.00 0.00 42.92 41.24 1pls s ASP 78 CO 0.11 -0.32 0.06 -1.00 0.21 0.00 0.00 175.17 174.24 1pls s HIS 79 N 0.29 2.89 -0.20 4.23 3.76 -0.55 -4.93 115.29 120.78 1pls s HIS 79 Ca 0.53 -2.45 -0.12 0.00 -0.15 0.00 0.00 55.06 52.88 1pls s HIS 79 Cb -0.29 -2.38 -0.05 0.00 1.11 0.00 0.00 32.58 30.97 1pls s HIS 79 CO 0.33 -0.91 0.20 -0.06 -0.85 0.00 0.00 174.74 173.44 1pls s PHE 80 N 1.21 3.40 -0.07 1.40 0.40 -1.26 -2.02 117.98 121.03 1pls s PHE 80 Ca 0.10 0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 56.71 1pls s PHE 80 Cb -0.18 -2.26 0.02 0.00 0.51 0.00 0.00 43.02 41.11 1pls s PHE 80 CO -0.15 0.20 0.28 -0.59 0.70 0.00 0.00 175.22 175.66 1pls s PHE 81 N 0.64 -0.24 -0.13 0.36 -0.12 -1.06 -1.50 117.98 115.93 1pls s PHE 81 Ca 0.11 0.53 -0.05 0.00 -0.05 0.00 0.00 56.93 57.47 1pls s PHE 81 Cb -0.12 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.32 1pls s PHE 81 CO 0.02 -0.24 0.06 -1.14 -0.05 0.00 0.00 175.22 173.86 1pls s GLN 82 N -0.47 3.46 0.00 1.99 0.74 -0.81 -1.75 119.66 122.82 1pls s GLN 82 Ca -0.06 -0.31 0.00 0.00 0.05 0.00 0.00 55.36 55.04 1pls s GLN 82 Cb -0.04 -3.05 0.00 0.00 1.10 0.00 0.00 33.01 31.03 1pls s GLN 82 CO 0.02 0.57 0.00 0.00 -0.55 0.00 0.00 175.29 175.33 1pls n ALA 83 N 2.59 0.00 -1.00 1.58 0.00 -0.97 -2.39 120.51 120.33 1pls n ALA 83 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1pls n ALA 83 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 -2.59 0.00 0.00 -1.26 -4.87 120.51 108.79 1pls n ALA 84 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1pls n ALA 84 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.02 2.06 0.30 0.00 -0.12 -1.26 -4.88 117.98 114.05 1pls s PHE 85 Ca 0.00 -0.94 0.02 0.00 -0.05 0.00 0.00 56.93 55.95 1pls s PHE 85 Cb 0.00 -1.48 0.73 0.00 -0.63 0.00 0.00 43.02 41.64 1pls s PHE 85 CO 0.00 0.13 1.60 1.25 -0.05 0.00 0.00 175.22 178.15 1pls h LEU 86 N 1.76 -0.29 0.10 -1.99 6.46 -1.96 0.30 115.31 119.68 1pls h LEU 86 Ca -0.41 0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1pls h LEU 86 Cb 1.27 0.40 -0.01 0.00 -0.73 0.00 0.00 40.66 41.58 1pls h LEU 86 CO 0.71 -0.28 -0.18 -0.08 -0.62 0.00 0.00 178.44 177.99 1pls h GLU 87 N 0.07 -0.29 0.00 1.25 4.81 -2.00 -0.06 114.58 118.36 1pls h GLU 87 Ca 0.57 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.82 1pls h GLU 87 Cb 1.18 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1pls h GLU 87 CO -0.81 -0.19 0.00 -1.91 -0.73 0.00 0.00 179.01 175.37 1pls n GLU 88 N -3.47 0.07 0.00 1.92 4.07 -0.63 -2.18 120.64 120.42 1pls n GLU 88 Ca -0.03 0.26 -0.09 0.00 -0.06 0.00 0.00 57.16 57.23 1pls n GLU 88 Cb 0.15 -1.50 -0.07 0.00 -0.06 0.00 0.00 31.44 29.96 1pls n GLU 88 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 1pls h ARG 89 N 0.00 -0.12 0.00 5.31 9.65 0.14 -2.51 114.38 126.85 1pls h ARG 89 Ca 0.00 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1pls h ARG 89 Cb 0.12 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 1pls h ARG 89 CO 0.00 0.35 0.00 -0.25 2.80 0.00 0.00 179.97 182.87 1pls n ASP 90 N -4.82 0.43 0.08 -3.80 9.92 -0.67 -2.37 116.55 115.33 1pls n ASP 90 Ca -0.06 0.55 -0.13 0.00 -0.53 0.00 0.00 54.79 54.62 1pls n ASP 90 Cb 0.26 -0.66 -0.13 0.00 -0.64 0.00 0.00 41.12 39.94 1pls n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pls h ALA 91 N 2.66 0.21 0.04 2.24 0.00 -1.49 -1.63 119.26 121.28 1pls h ALA 91 Ca 0.00 -0.93 -0.22 0.00 0.00 0.00 0.00 54.91 53.76 1pls h ALA 91 Cb 0.56 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1pls h ALA 91 CO 0.00 1.09 -1.01 -1.49 0.00 0.00 0.00 179.25 177.84 1pls h TRP 92 N 0.05 0.30 0.00 0.00 4.06 -1.31 -2.59 115.95 116.45 1pls h TRP 92 Ca -0.11 -0.19 -0.17 0.00 2.06 0.00 0.00 58.89 60.48 1pls h TRP 92 Cb 1.91 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 30.03 1pls h TRP 92 CO 0.04 1.07 -0.82 -0.39 -3.56 0.00 0.00 178.44 174.78 1pls h VAL 93 N 0.08 1.56 0.00 1.49 -1.51 -1.51 -1.81 116.25 114.55 1pls h VAL 93 Ca -0.06 -2.85 -0.15 0.00 -1.23 0.00 0.00 66.70 62.41 1pls h VAL 93 Cb 1.70 2.55 -0.02 0.00 -2.13 0.00 0.00 31.29 33.38 1pls h VAL 93 CO 0.15 0.81 -0.71 0.03 -1.23 0.00 0.00 177.57 176.63 1pls h ARG 94 N 0.00 0.00 0.10 5.19 2.47 -1.30 -2.39 114.38 118.45 1pls h ARG 94 Ca -0.01 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.44 1pls h ARG 94 Cb 1.48 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.79 1pls h ARG 94 CO 0.11 0.71 -1.44 -0.44 0.56 0.00 0.00 179.97 179.47 1pls h ASP 95 N 0.00 0.32 0.29 7.04 3.32 -1.46 -1.04 116.42 124.89 1pls h ASP 95 Ca -0.01 -0.82 -0.11 0.00 0.02 0.00 0.00 57.03 56.12 1pls h ASP 95 Cb 1.52 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.96 1pls h ASP 95 CO 0.09 1.62 -0.44 0.40 -1.72 0.00 0.00 179.24 179.20 1pls h ILE 96 N -0.37 1.32 0.12 0.35 2.04 -1.45 -1.34 117.51 118.17 1pls h ILE 96 Ca -0.32 -1.57 -0.31 0.00 1.00 0.00 0.00 64.86 63.66 1pls h ILE 96 Cb 1.71 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 39.53 1pls h ILE 96 CO 0.02 0.46 -1.59 -1.13 0.00 0.00 0.00 178.15 175.91 1pls h ASN 97 N 0.16 0.39 -0.09 1.72 -0.00 -1.56 -2.54 115.58 113.65 1pls h ASN 97 Ca 0.01 -0.57 -0.08 0.00 -0.00 0.00 0.00 56.30 55.66 1pls h ASN 97 Cb 0.84 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 39.01 1pls h ASN 97 CO 0.07 1.48 -0.18 0.50 -0.00 0.00 0.00 177.43 179.30 1pls h LYS 98 N 0.07 0.48 0.00 6.67 3.64 -1.10 -0.97 116.57 125.36 1pls h LYS 98 Ca -0.27 -0.15 -0.22 0.00 -1.27 0.00 0.00 60.65 58.74 1pls h LYS 98 Cb 2.02 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.77 1pls h LYS 98 CO 0.15 0.64 -1.06 0.00 -2.27 0.00 0.00 179.45 176.91 1pls h ALA 99 N 1.38 0.37 0.00 5.00 0.00 -1.34 -1.14 119.26 123.54 1pls h ALA 99 Ca 0.07 -0.95 -0.13 0.00 0.00 0.00 0.00 54.91 53.90 1pls h ALA 99 Cb 0.56 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1pls h ALA 99 CO 0.04 1.27 -0.62 0.82 0.00 0.00 0.00 179.25 180.76 1pls h ILE 100 N 0.00 1.40 0.00 0.00 2.04 -1.10 0.11 117.51 119.97 1pls h ILE 100 Ca -0.04 -2.15 0.00 0.00 1.00 0.00 0.00 64.86 63.68 1pls h ILE 100 Cb 1.80 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 40.05 1pls h ILE 100 CO 0.13 0.61 -1.19 0.29 0.00 0.00 0.00 178.15 177.98 1pls n LYS 101 N -3.74 0.48 0.02 2.37 4.76 -0.40 -3.82 118.16 117.84 1pls n LYS 101 Ca -0.01 0.01 0.11 0.00 -2.87 0.00 0.00 58.31 55.55 1pls n LYS 101 Cb 0.63 -1.67 -0.05 0.00 -1.84 0.00 0.00 35.03 32.09 1pls n LYS 101 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pls h ILE 103 N 0.00 0.00 0.00 0.00 6.09 -0.90 -3.26 117.51 119.44 1pls h ILE 103 Ca 0.00 -0.59 0.00 0.00 -1.37 0.00 0.00 64.86 62.90 1pls h ILE 103 Cb 0.83 1.22 0.00 0.00 0.47 0.00 0.00 36.82 39.34 1pls h ILE 103 CO 0.00 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 174.46 1pls n GLU 104 N -2.26 0.08 -0.03 2.19 1.02 -1.25 -2.08 120.64 118.31 1pls n GLU 104 Ca 0.03 0.33 0.02 0.00 -0.02 0.00 0.00 57.16 57.52 1pls n GLU 104 Cb 0.46 -1.65 0.03 0.00 -0.02 0.00 0.00 31.44 30.25 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 -0.03 2.88 2.71 0.62 0.00 -1.23 -4.78 105.19 105.37 1pls n GLY 105 Ca 0.03 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.65 6.95 0.00 0.99 4.77 -0.88 -4.97 117.00 123.21 1pls n LEU 106 Ca 0.03 -5.35 0.00 0.00 -0.03 0.00 0.00 56.01 50.66 1pls n LEU 106 Cb 0.36 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1pls n LEU 106 CO 0.00 2.06 0.00 -0.62 -1.33 0.00 0.00 177.39 177.50 1pls n GLU 107 N -0.16 2.11 -2.21 3.23 1.02 -1.26 -4.65 120.64 118.72 1pls n GLU 107 Ca 0.46 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.43 1pls n GLU 107 Cb 0.28 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.68 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 -0.37 -1.00 -3.34 -0.32 8.25 -1.26 -4.88 115.22 112.30 1pls n HIS 108 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 1pls n HIS 108 Cb 0.00 -3.24 -0.08 0.00 1.12 0.00 0.00 29.99 27.80 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 -3.32 2.27 0.29 4.41 8.25 -1.26 -4.83 115.22 121.03 1pls n HIS 109 Ca -0.19 -3.95 0.09 0.00 -0.26 0.00 0.00 57.72 53.42 1pls n HIS 109 Cb 0.62 -0.49 -0.14 0.00 1.12 0.00 0.00 29.99 31.11 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 1.04 0.00 -3.42 4.41 -0.00 -1.26 -4.81 115.22 111.18 1pls n HIS 110 Ca 0.27 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 58.24 1pls n HIS 110 Cb 0.45 -0.30 -0.10 0.00 -0.12 0.00 0.00 29.99 29.92 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 -3.16 -0.07 -0.58 1.57 3.76 -1.26 -5.01 115.29 110.53 1pls s HIS 111 Ca -0.02 -0.75 0.03 0.00 -0.15 0.00 0.00 55.06 54.17 1pls s HIS 111 Cb 0.13 -0.60 0.39 0.00 1.11 0.00 0.00 32.58 33.61 1pls s HIS 111 CO 0.80 -0.91 1.37 1.58 -0.85 0.00 0.00 174.74 176.73 1pls n HIS 112 N 4.75 3.34 -0.88 1.40 -0.00 -1.26 -5.23 115.22 117.33 1pls n HIS 112 Ca 0.04 -2.97 0.00 0.00 -0.00 0.00 0.00 57.72 54.79 1pls n HIS 112 Cb 0.44 -0.45 0.00 0.00 -0.00 0.00 0.00 29.99 29.97 1pls n HIS 112 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92