#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 3.07 0.93 0.03 0.41 -1.26 -5.07 118.70 116.81 1pls s GLU 2 Ca 0.00 -0.50 -0.11 0.00 -0.41 0.00 0.00 54.97 53.95 1pls s GLU 2 Cb 0.00 -2.57 0.18 0.00 -1.78 0.00 0.00 34.13 29.96 1pls s GLU 2 CO 0.00 -0.26 0.40 -2.30 -0.49 0.00 0.00 175.26 172.61 1pls n PRO 3 N -2.07 -1.28 -2.59 0.39 -0.02 -1.26 -4.72 135.00 123.46 1pls n PRO 3 Ca 0.01 -0.67 -0.43 0.00 -2.02 0.00 0.00 63.50 60.39 1pls n PRO 3 Cb 0.58 -1.37 -0.00 0.00 -0.02 0.00 0.00 33.50 32.69 1pls n PRO 3 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1pls s LYS 4 N -3.38 3.96 0.52 -0.52 1.02 -1.26 -4.87 119.74 115.21 1pls s LYS 4 Ca 0.31 -1.96 0.00 0.00 0.02 0.00 0.00 55.97 54.34 1pls s LYS 4 Cb -0.05 -5.51 0.00 0.00 -0.52 0.00 0.00 37.83 31.74 1pls s LYS 4 CO 0.26 -2.24 0.00 0.54 -0.92 0.00 0.00 175.35 172.99 1pls n ARG 5 N 8.34 -3.03 0.00 1.68 1.74 -1.26 -4.85 116.66 119.28 1pls n ARG 5 Ca 0.47 2.37 0.00 0.00 -0.77 0.00 0.00 57.85 59.92 1pls n ARG 5 Cb 0.46 -3.62 0.00 0.00 -1.02 0.00 0.00 32.46 28.28 1pls n ARG 5 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1pls n ILE 6 N -4.22 0.00 -4.13 0.55 5.41 -0.88 -4.91 119.36 111.18 1pls n ILE 6 Ca -0.06 0.47 -0.34 0.00 1.00 0.00 0.00 62.75 63.82 1pls n ILE 6 Cb 0.66 -1.45 -0.15 0.00 -0.71 0.00 0.00 39.64 38.00 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 -0.94 3.28 -0.03 0.38 6.06 -1.02 -4.99 118.95 121.69 1pls s ARG 7 Ca 0.00 -0.69 0.03 0.00 -2.50 0.00 0.00 55.73 52.57 1pls s ARG 7 Cb 0.00 -2.82 0.00 0.00 0.06 0.00 0.00 34.95 32.19 1pls s ARG 7 CO 0.00 -0.12 -0.12 -1.83 -2.50 0.00 0.00 175.30 170.73 1pls s GLU 8 N 1.22 1.23 0.00 5.12 1.03 -1.26 -0.82 118.70 125.22 1pls s GLU 8 Ca 0.02 -0.40 0.00 0.00 0.03 0.00 0.00 54.97 54.62 1pls s GLU 8 Cb -0.14 -1.11 0.00 0.00 -0.80 0.00 0.00 34.13 32.07 1pls s GLU 8 CO -0.04 0.15 0.00 0.41 -1.33 0.00 0.00 175.26 174.45 1pls n GLY 9 N 3.27 3.13 2.62 -3.83 0.00 -0.64 -5.00 105.19 104.74 1pls n GLY 9 Ca -0.18 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.50 0.05 0.09 1.61 1.13 -1.26 -2.30 117.35 116.16 1pls s TYR 10 Ca 0.00 -0.52 0.06 0.00 -1.41 0.00 0.00 57.07 55.20 1pls s TYR 10 Cb 0.00 -0.71 -0.03 0.00 -1.10 0.00 0.00 41.96 40.12 1pls s TYR 10 CO 0.00 -0.79 -0.15 -0.51 -2.51 0.00 0.00 175.55 171.59 1pls s LEU 11 N 2.19 2.31 0.12 -3.49 2.01 -0.43 -4.46 118.68 116.93 1pls s LEU 11 Ca 0.08 -0.67 -0.29 0.00 0.01 0.00 0.00 54.13 53.27 1pls s LEU 11 Cb -0.15 -0.58 -0.06 0.00 0.01 0.00 0.00 46.19 45.40 1pls s LEU 11 CO -0.30 -0.07 0.91 0.54 1.01 0.00 0.00 176.35 178.44 1pls s VAL 12 N -1.42 4.47 -0.53 -1.59 0.11 -1.00 -1.68 120.40 118.76 1pls s VAL 12 Ca 0.01 1.97 0.04 0.00 -2.93 0.00 0.00 61.98 61.07 1pls s VAL 12 Cb -0.09 -4.27 0.15 0.00 -1.53 0.00 0.00 36.38 30.64 1pls s VAL 12 CO 0.03 0.37 0.34 -0.75 -3.33 0.00 0.00 175.10 171.76 1pls s LYS 13 N -0.28 1.65 0.00 1.54 2.20 -0.97 -0.84 119.74 123.04 1pls s LYS 13 Ca 0.44 -2.51 0.00 0.00 -0.36 0.00 0.00 55.97 53.53 1pls s LYS 13 Cb -0.23 -2.59 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 1pls s LYS 13 CO 0.29 -1.24 0.00 1.17 -0.36 0.00 0.00 175.35 175.20 1pls n LYS 14 N 2.86 0.00 -3.96 4.03 0.00 -0.67 -4.78 118.16 115.64 1pls n LYS 14 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.38 1pls n LYS 14 Cb 0.37 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.33 1pls n LYS 14 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1pls s GLY 15 N 0.00 0.43 -0.14 3.14 0.00 0.12 -3.67 107.32 107.19 1pls s GLY 15 Ca 0.00 -0.90 0.05 0.00 0.00 0.00 0.00 44.72 43.87 1pls s GLY 15 CO 0.00 -0.93 1.19 1.44 0.00 0.00 0.00 173.10 174.81 1pls n SER 16 N -0.13 3.25 -3.41 1.64 7.64 -1.26 -4.73 113.62 116.61 1pls n SER 16 Ca -0.10 -2.53 0.01 0.00 1.01 0.00 0.00 58.87 57.26 1pls n SER 16 Cb 0.63 -0.61 -0.04 0.00 -1.01 0.00 0.00 64.21 63.18 1pls n SER 16 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1pls s VAL 17 N -1.72 -0.61 0.62 0.44 0.11 -1.26 -5.13 120.40 112.84 1pls s VAL 17 Ca 0.26 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 1pls s VAL 17 Cb 0.20 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.05 1pls s VAL 17 CO 0.07 0.00 0.00 0.49 -3.33 0.00 0.00 175.10 172.33 1pls n PHE 18 N 5.13 -4.23 -1.56 1.54 3.72 -1.26 -4.19 117.46 116.60 1pls n PHE 18 Ca -0.09 2.31 -0.13 0.00 -0.05 0.00 0.00 57.45 59.49 1pls n PHE 18 Cb 0.52 -3.65 -0.08 0.00 -0.94 0.00 0.00 39.48 35.33 1pls n PHE 18 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1pls n ASN 19 N -3.25 1.71 -4.43 4.37 4.13 -1.26 -4.55 115.26 111.99 1pls n ASN 19 Ca -0.03 -1.51 -0.28 0.00 1.68 0.00 0.00 54.58 54.44 1pls n ASN 19 Cb 0.57 -1.64 -0.12 0.00 -1.54 0.00 0.00 39.78 37.05 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 14.62 2.41 -0.08 3.41 -4.23 -1.26 -4.97 115.64 125.54 1pls s THR 20 Ca 0.94 -1.88 -0.01 0.00 -1.18 0.00 0.00 61.69 59.56 1pls s THR 20 Cb -0.15 -2.12 0.03 0.00 1.34 0.00 0.00 72.50 71.60 1pls s THR 20 CO 0.10 -0.03 -0.03 0.26 -0.54 0.00 0.00 174.62 174.38 1pls s TRP 21 N -1.43 0.92 -0.07 3.99 0.52 -1.26 -0.71 118.94 120.90 1pls s TRP 21 Ca 0.18 -0.34 -0.09 0.00 0.02 0.00 0.00 56.10 55.88 1pls s TRP 21 Cb -0.09 -0.91 0.02 0.00 -1.15 0.00 0.00 33.47 31.35 1pls s TRP 21 CO 0.09 -0.36 0.24 0.15 0.02 0.00 0.00 176.95 177.09 1pls s LYS 22 N 1.73 0.37 0.09 4.98 1.02 -1.24 -4.97 119.74 121.72 1pls s LYS 22 Ca 0.02 0.16 -0.31 0.00 0.02 0.00 0.00 55.97 55.87 1pls s LYS 22 Cb -0.13 0.17 -0.06 0.00 -0.52 0.00 0.00 37.83 37.29 1pls s LYS 22 CO -0.05 -0.07 1.23 -1.25 -0.92 0.00 0.00 175.35 174.29 1pls s PRO 23 N -0.30 4.42 0.29 -1.68 0.04 -1.26 -2.30 135.00 134.21 1pls s PRO 23 Ca -0.04 1.84 0.04 0.00 0.04 0.00 0.00 61.00 62.87 1pls s PRO 23 Cb -0.03 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1pls s PRO 23 CO 0.01 -0.26 0.20 0.00 0.04 0.00 0.00 177.00 176.99 1pls s MET 24 N 0.87 1.55 0.12 4.56 0.23 -0.67 -4.81 119.30 121.13 1pls s MET 24 Ca 0.59 -1.87 -0.12 0.00 -1.03 0.00 0.00 55.69 53.26 1pls s MET 24 Cb -0.31 0.16 -0.06 0.00 -1.53 0.00 0.00 34.83 33.09 1pls s MET 24 CO 0.30 -0.51 0.47 -0.46 -2.03 0.00 0.00 175.02 172.80 1pls s TRP 25 N -3.70 3.58 -0.07 3.16 -0.11 0.01 -1.31 118.94 120.50 1pls s TRP 25 Ca 0.38 0.91 -0.12 0.00 1.22 0.00 0.00 56.10 58.49 1pls s TRP 25 Cb 0.05 -2.26 0.03 0.00 -1.50 0.00 0.00 33.47 29.79 1pls s TRP 25 CO 0.20 0.46 0.30 0.54 -4.62 0.00 0.00 176.95 173.83 1pls s VAL 26 N -1.46 0.03 -0.30 5.86 0.11 -0.97 -0.27 120.40 123.40 1pls s VAL 26 Ca 0.36 -0.22 -0.03 0.00 -2.93 0.00 0.00 61.98 59.17 1pls s VAL 26 Cb -0.14 -0.51 0.10 0.00 -1.53 0.00 0.00 36.38 34.30 1pls s VAL 26 CO 0.19 -0.12 0.12 0.68 -3.33 0.00 0.00 175.10 172.64 1pls s VAL 27 N -0.48 0.28 -0.18 2.04 -7.23 -0.98 -1.62 120.40 112.23 1pls s VAL 27 Ca -0.06 -1.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.79 1pls s VAL 27 Cb -0.04 -1.23 -0.01 0.00 0.56 0.00 0.00 36.38 35.66 1pls s VAL 27 CO 0.02 -0.72 1.22 -1.48 -0.31 0.00 0.00 175.10 173.82 1pls s LEU 28 N 1.89 4.17 0.37 1.32 2.34 -0.00 -2.32 118.68 126.44 1pls s LEU 28 Ca 0.10 1.63 0.08 0.00 0.06 0.00 0.00 54.13 55.99 1pls s LEU 28 Cb -0.17 -3.54 -0.02 0.00 -0.56 0.00 0.00 46.19 41.90 1pls s LEU 28 CO -0.32 -0.74 0.34 -0.76 -1.06 0.00 0.00 176.35 173.82 1pls s LEU 29 N 3.40 3.53 0.04 1.48 1.02 -0.38 -2.08 118.68 125.70 1pls s LEU 29 Ca 0.53 -0.59 0.19 0.00 0.02 0.00 0.00 54.13 54.28 1pls s LEU 29 Cb -0.20 -2.18 0.78 0.00 0.02 0.00 0.00 46.19 44.60 1pls s LEU 29 CO 0.13 -0.49 1.59 -1.84 0.02 0.00 0.00 176.35 175.75 1pls n GLU 30 N -1.47 0.04 0.00 1.70 0.28 -1.26 -2.37 120.64 117.55 1pls n GLU 30 Ca 0.01 0.23 0.05 0.00 -0.16 0.00 0.00 57.16 57.29 1pls n GLU 30 Cb 0.60 -1.56 0.02 0.00 1.43 0.00 0.00 31.44 31.93 1pls n GLU 30 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1pls n ASP 31 N -1.63 1.60 0.00 -1.84 5.75 -1.26 -4.77 116.55 114.40 1pls n ASP 31 Ca 0.04 -1.30 0.00 0.00 -0.01 0.00 0.00 54.79 53.52 1pls n ASP 31 Cb 0.22 0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1pls n ASP 31 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pls n GLY 32 N 0.76 3.95 3.47 6.12 0.00 -1.00 -4.22 105.19 114.27 1pls n GLY 32 Ca 0.05 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.77 5.03 -0.26 -0.61 1.09 -0.49 -1.25 121.20 122.93 1pls s ILE 33 Ca 0.00 -0.39 -0.07 0.00 -1.10 0.00 0.00 60.65 59.09 1pls s ILE 33 Cb 0.00 -4.12 -0.01 0.00 -1.06 0.00 0.00 42.46 37.26 1pls s ILE 33 CO 0.00 -0.54 0.06 -1.83 -0.10 0.00 0.00 174.94 172.52 1pls s GLU 34 N 2.27 3.42 0.13 2.79 -1.05 -0.98 -0.63 118.70 124.65 1pls s GLU 34 Ca 0.13 -0.63 0.09 0.00 -0.15 0.00 0.00 54.97 54.42 1pls s GLU 34 Cb -0.18 -3.29 -0.04 0.00 -0.44 0.00 0.00 34.13 30.18 1pls s GLU 34 CO 0.13 -0.28 -0.20 -0.59 0.95 0.00 0.00 175.26 175.28 1pls s PHE 35 N 1.55 2.48 0.12 4.83 -0.12 -0.99 -2.33 117.98 123.54 1pls s PHE 35 Ca 0.05 -0.29 0.01 0.00 -0.05 0.00 0.00 56.93 56.65 1pls s PHE 35 Cb -0.16 -1.31 -0.00 0.00 -0.63 0.00 0.00 43.02 40.92 1pls s PHE 35 CO 0.02 0.39 0.03 0.66 -0.05 0.00 0.00 175.22 176.27 1pls n TYR 36 N 0.74 0.12 -0.06 3.49 4.02 0.63 -1.96 117.16 124.14 1pls n TYR 36 Ca -0.16 -0.69 -0.14 0.00 -0.01 0.00 0.00 57.90 56.90 1pls n TYR 36 Cb 0.53 -0.03 -0.12 0.00 -0.02 0.00 0.00 39.34 39.70 1pls n TYR 36 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1pls h LYS 37 N 0.00 -0.00 0.00 -0.72 3.64 -1.81 0.07 116.57 117.75 1pls h LYS 37 Ca -0.09 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.05 1pls h LYS 37 Cb 0.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1pls h LYS 37 CO 0.15 0.87 -0.09 1.63 -2.27 0.00 0.00 179.45 179.74 1pls n LYS 38 N -4.67 1.03 0.07 1.90 5.02 -1.26 -1.93 118.16 118.32 1pls n LYS 38 Ca -0.10 -1.47 0.19 0.00 -2.02 0.00 0.00 58.31 54.91 1pls n LYS 38 Cb 0.42 0.07 0.54 0.00 -0.02 0.00 0.00 35.03 36.05 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 -3.35 116.57 116.90 1pls h LYS 39 Ca -0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1pls h LYS 39 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1pls h LYS 39 CO 0.22 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 177.83 1pls n SER 40 N -3.22 0.00 0.00 4.20 7.64 -1.26 -4.91 113.62 116.07 1pls n SER 40 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1pls n SER 40 Cb 0.94 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 64.38 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 -2.46 -5.54 -1.51 6.43 2.03 -1.26 -3.04 116.55 111.20 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 -3.14 -0.00 0.00 -0.72 0.00 0.00 41.12 37.25 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 -0.87 -0.71 -3.15 1.67 5.03 -1.26 -4.75 115.26 111.22 1pls n ASN 42 Ca 0.00 0.17 0.05 0.00 0.87 0.00 0.00 54.58 55.67 1pls n ASN 42 Cb 0.43 -0.97 -0.00 0.00 -1.02 0.00 0.00 39.78 38.22 1pls n ASN 42 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1pls s SER 43 N -1.41 -1.18 0.19 6.41 0.15 -1.17 -5.13 113.70 111.56 1pls s SER 43 Ca 0.00 0.26 -0.33 0.00 0.70 0.00 0.00 55.95 56.58 1pls s SER 43 Cb 0.00 1.79 -0.14 0.00 -1.71 0.00 0.00 66.02 65.96 1pls s SER 43 CO 0.00 -0.22 1.38 -2.65 1.20 0.00 0.00 173.24 172.95 1pls n PRO 44 N 5.34 1.77 0.08 5.44 -0.02 -1.26 -4.61 135.00 141.74 1pls n PRO 44 Ca 0.04 0.63 0.08 0.00 -2.02 0.00 0.00 63.50 62.23 1pls n PRO 44 Cb 0.55 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 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 4.41 0.00 0.00 -0.52 3.64 -1.73 -3.49 116.57 118.88 1pls h LYS 45 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1pls h LYS 45 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1pls h LYS 45 CO 0.77 0.10 0.00 0.41 -2.27 0.00 0.00 179.45 178.46 1pls n GLY 46 N 1.25 1.63 3.49 5.01 0.00 -1.21 -5.06 105.19 110.30 1pls n GLY 46 Ca -0.03 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.90 1.71 -0.03 1.61 -1.94 -1.26 -2.34 119.30 115.15 1pls s MET 47 Ca 0.00 -1.94 0.02 0.00 -1.71 0.00 0.00 55.69 52.06 1pls s MET 47 Cb 0.00 -1.11 0.01 0.00 2.01 0.00 0.00 34.83 35.73 1pls s MET 47 CO 0.00 -0.11 -0.09 0.42 -0.01 0.00 0.00 175.02 175.23 1pls s ILE 48 N -3.10 0.77 -0.06 2.53 1.01 0.20 -4.95 121.20 117.59 1pls s ILE 48 Ca 0.35 -0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.37 1pls s ILE 48 Cb 0.08 -0.70 -0.05 0.00 0.01 0.00 0.00 42.46 41.81 1pls s ILE 48 CO 0.15 0.25 1.51 -2.16 0.00 0.00 0.00 174.94 174.70 1pls s PRO 49 N 0.31 4.21 0.28 2.79 0.04 -1.26 -1.40 135.00 139.98 1pls s PRO 49 Ca -0.05 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 1pls s PRO 49 Cb -0.10 -3.83 0.44 0.00 0.04 0.00 0.00 34.50 31.04 1pls s PRO 49 CO 0.01 -0.75 1.92 1.25 0.04 0.00 0.00 177.00 179.47 1pls h LEU 50 N 9.66 0.99 -8.40 -3.56 7.12 -1.91 -3.31 115.31 115.91 1pls h LEU 50 Ca -0.36 -0.01 -0.72 0.00 0.13 0.00 0.00 57.88 56.92 1pls h LEU 50 Cb 1.16 -0.22 -0.22 0.00 -0.53 0.00 0.00 40.66 40.84 1pls h LEU 50 CO 0.95 0.67 -0.42 -0.75 -0.13 0.00 0.00 178.44 178.76 1pls s LYS 51 N -5.98 2.93 0.00 1.25 2.20 -1.26 -4.24 119.74 114.63 1pls s LYS 51 Ca -0.12 -1.16 0.00 0.00 -0.36 0.00 0.00 55.97 54.33 1pls s LYS 51 Cb 0.19 -3.98 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1pls s LYS 51 CO 0.80 -0.84 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 1pls n GLY 52 N 5.13 0.58 3.96 5.54 0.00 -1.26 -4.80 105.19 114.34 1pls n GLY 52 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1pls n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pls s SER 53 N -0.20 5.04 -0.06 1.61 0.15 -1.24 0.26 113.70 119.25 1pls s SER 53 Ca 0.00 0.17 -0.03 0.00 0.70 0.00 0.00 55.95 56.79 1pls s SER 53 Cb 0.00 -0.93 0.04 0.00 -1.71 0.00 0.00 66.02 63.42 1pls s SER 53 CO 0.00 -1.37 0.12 0.42 1.20 0.00 0.00 173.24 173.61 1pls s THR 54 N -2.98 -0.17 -0.13 6.45 -4.23 0.24 -4.82 115.64 109.99 1pls s THR 54 Ca 0.59 0.34 -0.21 0.00 -1.18 0.00 0.00 61.69 61.23 1pls s THR 54 Cb -0.10 -0.23 -0.03 0.00 1.34 0.00 0.00 72.50 73.48 1pls s THR 54 CO 0.41 0.14 0.62 -0.22 -0.54 0.00 0.00 174.62 175.03 1pls s LEU 55 N 2.00 4.23 -0.35 4.79 1.98 -1.26 0.11 118.68 130.19 1pls s LEU 55 Ca 0.01 0.95 0.01 0.00 -2.89 0.00 0.00 54.13 52.21 1pls s LEU 55 Cb -0.12 -2.91 0.09 0.00 0.66 0.00 0.00 46.19 43.91 1pls s LEU 55 CO -0.05 -0.16 0.07 -0.89 -1.89 0.00 0.00 176.35 173.44 1pls s THR 56 N 1.24 2.63 -0.02 3.68 2.01 0.27 -4.97 115.64 120.48 1pls s THR 56 Ca 0.31 -2.08 -0.01 0.00 0.31 0.00 0.00 61.69 60.23 1pls s THR 56 Cb -0.16 -2.81 0.01 0.00 0.01 0.00 0.00 72.50 69.55 1pls s THR 56 CO 0.13 -0.51 0.03 -0.44 -0.69 0.00 0.00 174.62 173.14 1pls s SER 57 N 1.23 0.01 0.99 3.53 0.01 -1.26 -2.17 113.70 116.03 1pls s SER 57 Ca 0.06 0.05 -0.16 0.00 1.31 0.00 0.00 55.95 57.22 1pls s SER 57 Cb -0.20 0.01 0.20 0.00 0.21 0.00 0.00 66.02 66.24 1pls s SER 57 CO -0.06 -0.06 1.24 -2.16 0.41 0.00 0.00 173.24 172.62 1pls s PRO 58 N 0.46 0.43 -0.44 12.44 0.04 -1.26 -5.12 135.00 141.54 1pls s PRO 58 Ca -0.04 -0.21 0.05 0.00 0.04 0.00 0.00 61.00 60.84 1pls s PRO 58 Cb -0.05 -1.80 0.17 0.00 0.04 0.00 0.00 34.50 32.86 1pls s PRO 58 CO -0.01 -2.59 0.48 0.00 0.04 0.00 0.00 177.00 174.92 1pls s GLN 60 N 0.65 3.30 0.00 0.00 -0.21 -1.26 -4.51 119.66 117.63 1pls s GLN 60 Ca 0.28 -0.71 0.00 0.00 0.02 0.00 0.00 55.36 54.95 1pls s GLN 60 Cb -0.02 -3.88 0.00 0.00 1.00 0.00 0.00 33.01 30.11 1pls s GLN 60 CO -0.11 -0.62 0.00 -3.47 -2.12 0.00 0.00 175.29 168.97 1pls n ASP 61 N 5.28 0.00 0.02 5.90 2.03 -1.26 -4.80 116.55 123.72 1pls n ASP 61 Ca -0.10 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.99 1pls n ASP 61 Cb 0.48 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.74 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 0.53 0.00 -0.67 3.04 -1.97 -3.42 116.94 114.44 1pls h PHE 62 Ca 0.00 -0.38 -0.06 0.00 3.98 0.00 0.00 57.97 61.51 1pls h PHE 62 Cb 0.00 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.48 1pls h PHE 62 CO 0.00 1.74 -1.21 0.41 -2.02 0.00 0.00 178.31 177.23 1pls n GLY 63 N 1.95 -0.06 3.69 2.40 0.00 -1.26 -5.05 105.19 106.86 1pls n GLY 63 Ca -0.30 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.58 -1.59 0.00 1.61 0.00 -1.26 -4.83 118.16 109.52 1pls n LYS 64 Ca -0.06 0.88 0.00 0.00 0.00 0.00 0.00 58.31 59.12 1pls n LYS 64 Cb 0.57 -2.09 0.00 0.00 0.00 0.00 0.00 35.03 33.51 1pls n LYS 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1pls n ARG 65 N -1.99 0.00 0.00 1.64 1.74 -1.26 -4.96 116.66 111.82 1pls n ARG 65 Ca -0.26 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 1pls n ARG 65 Cb 0.68 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.12 1pls n ARG 65 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1pls n MET 66 N 0.00 0.00 -3.73 5.56 2.81 -1.26 -4.91 117.12 115.58 1pls n MET 66 Ca 0.00 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.53 1pls n MET 66 Cb 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.41 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 3.44 -0.13 2.03 0.08 -1.26 -5.05 117.98 117.09 1pls s PHE 67 Ca 0.00 -2.66 0.02 0.00 0.12 0.00 0.00 56.93 54.42 1pls s PHE 67 Cb 0.00 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.25 1pls s PHE 67 CO 0.00 -0.87 -0.21 0.54 -0.10 0.00 0.00 175.22 174.59 1pls s VAL 68 N 0.20 2.25 0.50 -0.44 0.11 -1.26 -2.32 120.40 119.44 1pls s VAL 68 Ca 0.15 -0.93 0.05 0.00 -2.93 0.00 0.00 61.98 58.32 1pls s VAL 68 Cb -0.21 -1.90 0.00 0.00 -1.53 0.00 0.00 36.38 32.74 1pls s VAL 68 CO -0.03 0.54 0.27 0.72 -3.33 0.00 0.00 175.10 173.27 1pls s PHE 69 N 0.66 1.95 -0.13 1.54 -0.71 -0.77 -3.68 117.98 116.84 1pls s PHE 69 Ca -0.10 -0.79 -0.02 0.00 -1.04 0.00 0.00 56.93 54.97 1pls s PHE 69 Cb -0.16 -1.88 0.05 0.00 -1.21 0.00 0.00 43.02 39.82 1pls s PHE 69 CO 0.02 -0.17 0.03 0.21 -1.34 0.00 0.00 175.22 173.97 1pls s LYS 70 N -4.11 0.54 0.48 1.99 2.36 -0.92 -2.56 119.74 117.52 1pls s LYS 70 Ca 0.31 -0.13 0.06 0.00 -2.55 0.00 0.00 55.97 53.66 1pls s LYS 70 Cb -0.00 -1.54 0.03 0.00 -1.05 0.00 0.00 37.83 35.27 1pls s LYS 70 CO 0.18 -0.49 0.66 0.42 1.55 0.00 0.00 175.35 177.68 1pls s ILE 71 N 1.95 2.79 -0.34 5.43 1.01 -0.70 -0.56 121.20 130.79 1pls s ILE 71 Ca 0.02 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.79 1pls s ILE 71 Cb -0.15 -2.90 0.14 0.00 0.01 0.00 0.00 42.46 39.56 1pls s ILE 71 CO -0.07 0.00 0.31 -0.89 0.00 0.00 0.00 174.94 174.29 1pls s THR 72 N -2.53 -0.26 0.74 2.92 2.01 0.12 -1.10 115.64 117.54 1pls s THR 72 Ca 0.57 -0.92 -0.15 0.00 0.31 0.00 0.00 61.69 61.49 1pls s THR 72 Cb -0.10 -0.87 0.05 0.00 0.01 0.00 0.00 72.50 71.59 1pls s THR 72 CO 0.36 -0.62 1.24 0.35 -0.69 0.00 0.00 174.62 175.25 1pls n THR 73 N 4.63 3.22 0.06 -0.82 -2.24 -1.11 -0.59 114.28 117.43 1pls n THR 73 Ca 0.06 -0.32 0.18 0.00 -2.27 0.00 0.00 64.05 61.69 1pls n THR 73 Cb 0.44 -1.31 0.44 0.00 -2.10 0.00 0.00 70.33 67.80 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 -0.33 0.07 -0.34 4.28 1.03 0.33 0.59 112.91 118.53 1pls h THR 74 Ca -0.48 0.00 -0.19 0.00 -0.01 0.00 0.00 66.41 65.73 1pls h THR 74 Cb 1.32 0.22 -0.11 0.00 -1.07 0.00 0.00 68.15 68.51 1pls h THR 74 CO 0.49 0.00 0.24 1.17 -0.01 0.00 0.00 175.52 177.40 1pls n LYS 75 N -3.09 1.45 -2.27 0.00 3.00 -1.26 -4.80 118.16 111.19 1pls n LYS 75 Ca 0.11 -1.05 -0.08 0.00 -0.00 0.00 0.00 58.31 57.29 1pls n LYS 75 Cb 1.06 -1.41 -0.01 0.00 0.00 0.00 0.00 35.03 34.67 1pls n LYS 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1pls n GLN 76 N 0.04 -2.28 -2.94 1.64 1.13 0.20 -4.83 117.38 110.34 1pls n GLN 76 Ca 0.21 0.41 -0.44 0.00 -1.94 0.00 0.00 57.00 55.24 1pls n GLN 76 Cb 0.86 -4.92 -0.03 0.00 0.11 0.00 0.00 30.24 26.26 1pls n GLN 76 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1pls s GLN 77 N -4.66 3.48 0.72 -1.09 -0.21 -1.18 -4.86 119.66 111.87 1pls s GLN 77 Ca 0.00 -1.60 -0.16 0.00 0.02 0.00 0.00 55.36 53.62 1pls s GLN 77 Cb 0.00 -4.75 0.02 0.00 1.00 0.00 0.00 33.01 29.28 1pls s GLN 77 CO 0.00 -1.75 1.17 -3.47 -2.12 0.00 0.00 175.29 169.12 1pls n ASP 78 N 6.66 1.29 -3.51 5.90 -0.08 -1.26 -2.74 116.55 122.82 1pls n ASP 78 Ca 0.17 0.71 -0.24 0.00 -1.51 0.00 0.00 54.79 53.92 1pls n ASP 78 Cb 0.48 -1.50 -0.14 0.00 2.34 0.00 0.00 41.12 42.30 1pls n ASP 78 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 1pls s HIS 79 N -1.74 0.02 -0.30 -0.67 3.76 -0.26 -4.90 115.29 111.19 1pls s HIS 79 Ca 0.77 -0.45 -0.16 0.00 -0.15 0.00 0.00 55.06 55.07 1pls s HIS 79 Cb -0.34 -0.68 -0.02 0.00 1.11 0.00 0.00 32.58 32.65 1pls s HIS 79 CO 0.46 -0.77 0.42 -0.06 -0.85 0.00 0.00 174.74 173.95 1pls s PHE 80 N 2.20 3.22 0.31 1.40 0.08 -1.26 -1.72 117.98 122.21 1pls s PHE 80 Ca 0.08 0.28 0.03 0.00 0.12 0.00 0.00 56.93 57.44 1pls s PHE 80 Cb -0.15 -2.70 -0.05 0.00 -0.57 0.00 0.00 43.02 39.54 1pls s PHE 80 CO -0.28 -0.36 0.09 -0.59 -0.10 0.00 0.00 175.22 173.98 1pls s PHE 81 N 2.17 1.74 -0.02 0.36 -0.71 -1.06 -1.67 117.98 118.79 1pls s PHE 81 Ca 0.16 -1.12 0.00 0.00 -1.04 0.00 0.00 56.93 54.93 1pls s PHE 81 Cb -0.16 -1.08 0.03 0.00 -1.21 0.00 0.00 43.02 40.60 1pls s PHE 81 CO 0.11 -0.21 0.02 -1.14 -1.34 0.00 0.00 175.22 172.66 1pls s GLN 82 N -3.92 0.08 0.52 1.99 0.74 -0.02 -1.84 119.66 117.21 1pls s GLN 82 Ca 0.36 0.15 -0.03 0.00 0.05 0.00 0.00 55.36 55.88 1pls s GLN 82 Cb 0.07 -0.33 0.00 0.00 1.10 0.00 0.00 33.01 33.86 1pls s GLN 82 CO 0.15 -0.15 0.79 0.00 -0.55 0.00 0.00 175.29 175.52 1pls s ALA 83 N 1.04 3.53 -0.86 1.58 0.00 -0.98 -2.37 121.76 123.70 1pls s ALA 83 Ca -0.09 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 1pls s ALA 83 Cb -0.13 -2.37 0.27 0.00 0.00 0.00 0.00 23.12 20.89 1pls s ALA 83 CO -0.02 -0.59 2.15 0.00 0.00 0.00 0.00 175.76 177.29 1pls n ALA 84 N -2.33 6.43 0.00 0.00 0.00 -1.26 -4.63 120.51 118.72 1pls n ALA 84 Ca 0.03 -4.04 0.00 0.00 0.00 0.00 0.00 53.44 49.43 1pls n ALA 84 Cb 0.58 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1pls n ALA 84 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pls n PHE 85 N 0.04 0.00 -0.10 0.00 3.01 -1.26 -4.93 117.46 114.22 1pls n PHE 85 Ca 0.52 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.79 1pls n PHE 85 Cb 0.30 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.66 1pls n PHE 85 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1pls h LEU 86 N 0.00 0.00 -1.54 4.37 6.46 -1.98 -2.04 115.31 120.58 1pls h LEU 86 Ca 0.00 -0.52 -0.05 0.00 -0.12 0.00 0.00 57.88 57.19 1pls h LEU 86 Cb 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 1pls h LEU 86 CO 0.00 1.34 -0.24 -0.08 -0.62 0.00 0.00 178.44 178.84 1pls h GLU 87 N -1.00 0.00 0.17 1.25 4.81 -1.99 -2.45 114.58 115.37 1pls h GLU 87 Ca -0.26 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.74 1pls h GLU 87 Cb 1.17 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.57 1pls h GLU 87 CO -0.16 0.24 -0.99 1.49 -0.73 0.00 0.00 179.01 178.86 1pls h GLU 88 N 0.00 0.37 0.15 1.92 4.81 -1.92 -2.18 114.58 117.73 1pls h GLU 88 Ca -0.00 -0.63 0.02 0.00 -0.13 0.00 0.00 59.36 58.62 1pls h GLU 88 Cb 0.44 0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 1pls h GLU 88 CO 0.03 1.30 -0.32 -0.09 -0.73 0.00 0.00 179.01 179.19 1pls h ARG 89 N -0.22 -0.55 0.00 1.92 2.43 -1.10 0.15 114.38 117.01 1pls h ARG 89 Ca -0.17 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 1pls h ARG 89 Cb 1.78 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.45 1pls h ARG 89 CO 0.19 -0.36 -0.17 -0.44 -1.51 0.00 0.00 179.97 177.67 1pls h ASP 90 N -0.57 0.00 0.70 -3.80 5.19 -1.57 0.28 116.42 116.66 1pls h ASP 90 Ca 0.02 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.39 1pls h ASP 90 Cb 0.58 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 1pls h ASP 90 CO -0.17 0.17 -0.21 0.00 -3.12 0.00 0.00 179.24 175.90 1pls h ALA 91 N 1.83 1.11 0.04 3.45 0.00 -0.35 0.17 119.26 125.51 1pls h ALA 91 Ca -0.00 -0.19 -0.26 0.00 0.00 0.00 0.00 54.91 54.46 1pls h ALA 91 Cb 0.42 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1pls h ALA 91 CO 0.02 0.27 -1.30 -1.49 0.00 0.00 0.00 179.25 176.75 1pls h TRP 92 N 0.00 0.14 0.00 0.00 4.06 0.13 -2.59 115.95 117.69 1pls h TRP 92 Ca -0.00 -0.10 -0.07 0.00 2.06 0.00 0.00 58.89 60.78 1pls h TRP 92 Cb 0.62 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.77 1pls h TRP 92 CO 0.00 1.11 -0.32 -0.39 -3.56 0.00 0.00 178.44 175.27 1pls h VAL 93 N 0.02 0.57 0.07 1.49 -1.51 -0.73 -1.36 116.25 114.80 1pls h VAL 93 Ca -0.13 -1.76 -0.30 0.00 -1.23 0.00 0.00 66.70 63.27 1pls h VAL 93 Cb 1.90 2.25 -0.02 0.00 -2.13 0.00 0.00 31.29 33.28 1pls h VAL 93 CO 0.13 0.32 -1.60 0.03 -1.23 0.00 0.00 177.57 175.22 1pls h ARG 94 N 0.00 0.16 0.19 5.19 2.47 -1.04 -2.56 114.38 118.78 1pls h ARG 94 Ca -0.00 -0.27 -0.30 0.00 -1.26 0.00 0.00 59.98 58.15 1pls h ARG 94 Cb 1.22 0.10 0.02 0.00 -1.65 0.00 0.00 29.97 29.66 1pls h ARG 94 CO 0.04 0.94 -1.44 0.22 0.56 0.00 0.00 179.97 180.29 1pls h ASP 95 N 0.04 0.62 0.21 7.04 1.82 -1.51 -0.35 116.42 124.30 1pls h ASP 95 Ca -0.26 -0.92 -0.18 0.00 -0.39 0.00 0.00 57.03 55.29 1pls h ASP 95 Cb 1.99 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 41.80 1pls h ASP 95 CO 0.12 1.67 -0.68 0.40 -1.61 0.00 0.00 179.24 179.14 1pls h ILE 96 N -0.05 1.37 0.07 2.25 2.04 -1.41 -1.64 117.51 120.13 1pls h ILE 96 Ca -0.28 -2.05 -0.26 0.00 1.00 0.00 0.00 64.86 63.27 1pls h ILE 96 Cb 1.98 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 40.07 1pls h ILE 96 CO 0.18 0.62 -1.24 -1.13 0.00 0.00 0.00 178.15 176.58 1pls h ASN 97 N 0.30 0.22 -0.45 1.72 -0.00 -1.57 -2.56 115.58 113.23 1pls h ASN 97 Ca -0.02 -0.25 -0.13 0.00 -0.00 0.00 0.00 56.30 55.89 1pls h ASN 97 Cb 1.25 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 39.49 1pls h ASN 97 CO 0.12 1.20 -0.24 0.50 -0.00 0.00 0.00 177.43 179.01 1pls h LYS 98 N 0.04 0.97 -0.30 6.67 1.63 -1.02 -0.46 116.57 124.09 1pls h LYS 98 Ca -0.12 -0.43 -0.17 0.00 -0.85 0.00 0.00 60.65 59.08 1pls h LYS 98 Cb 1.90 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 33.51 1pls h LYS 98 CO 0.16 1.10 -0.49 0.00 -3.45 0.00 0.00 179.45 176.77 1pls h ALA 99 N 0.84 0.47 0.00 5.00 0.00 -1.37 -0.30 119.26 123.90 1pls h ALA 99 Ca 0.10 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 1pls h ALA 99 Cb 0.82 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1pls h ALA 99 CO 0.07 0.65 -0.33 0.82 0.00 0.00 0.00 179.25 180.45 1pls h ILE 100 N 0.66 1.14 -0.00 0.00 2.04 -1.36 -0.92 117.51 119.07 1pls h ILE 100 Ca 0.02 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.70 1pls h ILE 100 Cb 1.10 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1pls h ILE 100 CO 0.11 0.33 -0.40 0.29 0.00 0.00 0.00 178.15 178.48 1pls n LYS 101 N -3.99 0.20 -0.06 2.37 5.02 -0.19 -3.75 118.16 117.76 1pls n LYS 101 Ca -0.02 -0.11 -0.10 0.00 -2.02 0.00 0.00 58.31 56.06 1pls n LYS 101 Cb 0.39 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.75 1pls n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pls h ILE 103 N 0.00 1.36 0.00 0.00 1.08 -1.31 -0.01 117.51 118.64 1pls h ILE 103 Ca -0.43 -1.73 0.00 0.00 -0.39 0.00 0.00 64.86 62.31 1pls h ILE 103 Cb 2.12 1.93 0.00 0.00 -3.07 0.00 0.00 36.82 37.81 1pls h ILE 103 CO 0.05 0.50 0.00 -0.62 -0.69 0.00 0.00 178.15 177.38 1pls n GLU 104 N -3.94 0.22 -0.03 2.37 -0.58 -1.25 -2.47 120.64 114.96 1pls n GLU 104 Ca -0.01 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1pls n GLU 104 Cb 0.52 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 1pls n GLU 104 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pls n GLY 105 N 0.10 -0.66 2.70 0.62 0.00 -0.76 -4.85 105.19 102.34 1pls n GLY 105 Ca 0.07 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.20 7.44 -3.83 0.99 4.77 -0.09 -4.84 117.00 121.23 1pls n LEU 106 Ca 0.00 -5.17 -0.42 0.00 -0.03 0.00 0.00 56.01 50.39 1pls n LEU 106 Cb 0.44 -1.16 0.01 0.00 -2.33 0.00 0.00 43.42 40.37 1pls n LEU 106 CO 0.00 1.97 1.81 -0.62 -1.33 0.00 0.00 177.39 179.22 1pls n GLU 107 N -0.03 4.04 -0.83 3.23 4.71 -1.26 -4.99 120.64 125.51 1pls n GLU 107 Ca 0.50 -3.80 -0.35 0.00 -0.01 0.00 0.00 57.16 53.49 1pls n GLU 107 Cb 0.26 -2.77 0.11 0.00 -1.01 0.00 0.00 31.44 28.03 1pls n GLU 107 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 1pls n HIS 108 N 2.79 -1.53 -3.57 -0.32 1.44 -1.26 -5.02 115.22 107.76 1pls n HIS 108 Ca 0.40 0.36 -0.16 0.00 -2.01 0.00 0.00 57.72 56.31 1pls n HIS 108 Cb 0.33 -1.49 -0.06 0.00 0.12 0.00 0.00 29.99 28.89 1pls n HIS 108 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1pls s HIS 109 N -2.13 -0.69 -0.61 -1.40 2.46 -1.26 -5.04 115.29 106.62 1pls s HIS 109 Ca 0.47 1.39 -0.01 0.00 0.47 0.00 0.00 55.06 57.38 1pls s HIS 109 Cb -0.03 0.35 0.48 0.00 -0.13 0.00 0.00 32.58 33.26 1pls s HIS 109 CO 0.67 -0.52 2.01 0.72 -2.47 0.00 0.00 174.74 175.15 1pls n HIS 110 N 1.55 3.14 -2.06 3.88 8.25 -1.26 -4.46 115.22 124.26 1pls n HIS 110 Ca -0.17 -2.76 -0.23 0.00 -0.26 0.00 0.00 57.72 54.29 1pls n HIS 110 Cb 0.56 -1.34 0.02 0.00 1.12 0.00 0.00 29.99 30.35 1pls n HIS 110 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1pls n HIS 111 N -0.92 2.70 0.00 4.41 -0.00 -1.26 -5.00 115.22 115.15 1pls n HIS 111 Ca 0.61 -2.23 0.00 0.00 -0.00 0.00 0.00 57.72 56.10 1pls n HIS 111 Cb 0.85 -0.33 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 1pls n HIS 111 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1pls n HIS 112 N -0.70 0.00 -1.28 1.57 8.25 -1.26 -5.32 115.22 116.48 1pls n HIS 112 Ca 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.88 1pls n HIS 112 Cb 0.96 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.07 1pls n HIS 112 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56