#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pls n GLU 2 N 0.00 -2.03 0.00 3.17 1.02 -1.26 -4.90 120.64 116.65 1pls n GLU 2 Ca 0.00 1.64 0.00 0.00 -0.02 0.00 0.00 57.16 58.78 1pls n GLU 2 Cb 0.00 -2.38 0.00 0.00 -0.02 0.00 0.00 31.44 29.04 1pls n GLU 2 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1pls n PRO 3 N -3.47 0.00 -2.77 3.49 -0.04 -1.26 -5.01 135.00 125.94 1pls n PRO 3 Ca -0.05 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1pls n PRO 3 Cb 0.42 -0.05 -0.00 0.00 -0.04 0.00 0.00 33.50 33.83 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 0.00 -3.20 -4.32 0.54 5.02 -1.26 -4.98 118.16 109.96 1pls n LYS 4 Ca 0.00 2.60 -0.34 0.00 -2.02 0.00 0.00 58.31 58.55 1pls n LYS 4 Cb 0.00 -4.89 -0.13 0.00 -0.02 0.00 0.00 35.03 29.98 1pls n LYS 4 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1pls s ARG 5 N -1.53 3.48 0.22 1.97 0.52 -1.26 -4.74 118.95 117.60 1pls s ARG 5 Ca -0.01 -0.60 -0.09 0.00 -0.52 0.00 0.00 55.73 54.51 1pls s ARG 5 Cb 0.00 -2.88 0.32 0.00 0.52 0.00 0.00 34.95 32.91 1pls s ARG 5 CO 0.70 0.06 1.72 0.82 0.02 0.00 0.00 175.30 178.63 1pls h ILE 6 N 5.43 0.69 -3.82 1.52 2.04 -1.84 -3.42 117.51 118.10 1pls h ILE 6 Ca -0.33 -0.12 -0.20 0.00 1.00 0.00 0.00 64.86 65.21 1pls h ILE 6 Cb 1.19 0.31 -0.24 0.00 -0.74 0.00 0.00 36.82 37.34 1pls h ILE 6 CO 0.60 0.06 -0.69 -0.13 0.00 0.00 0.00 178.15 177.99 1pls s ARG 7 N -6.09 0.18 -0.21 2.37 1.81 -0.98 -5.02 118.95 111.00 1pls s ARG 7 Ca -0.13 -0.30 -0.14 0.00 -1.72 0.00 0.00 55.73 53.45 1pls s ARG 7 Cb 0.18 0.07 0.06 0.00 -0.45 0.00 0.00 34.95 34.81 1pls s ARG 7 CO 0.75 -0.03 0.53 -1.83 -0.68 0.00 0.00 175.30 174.04 1pls s GLU 8 N -0.75 0.55 0.00 3.54 1.03 -1.26 -0.11 118.70 121.69 1pls s GLU 8 Ca -0.08 0.92 0.00 0.00 0.03 0.00 0.00 54.97 55.84 1pls s GLU 8 Cb -0.05 0.11 0.00 0.00 -0.80 0.00 0.00 34.13 33.39 1pls s GLU 8 CO -0.00 -0.14 0.00 0.41 -1.33 0.00 0.00 175.26 174.20 1pls n GLY 9 N 3.92 3.62 2.51 -3.83 0.00 -0.66 -5.00 105.19 105.76 1pls n GLY 9 Ca -0.20 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.60 0.49 0.23 1.61 1.13 -1.26 -2.13 117.35 116.82 1pls s TYR 10 Ca 0.00 -1.28 0.11 0.00 -1.41 0.00 0.00 57.07 54.49 1pls s TYR 10 Cb 0.00 -0.87 -0.05 0.00 -1.10 0.00 0.00 41.96 39.94 1pls s TYR 10 CO 0.00 -0.84 -0.17 -0.51 -2.51 0.00 0.00 175.55 171.52 1pls s LEU 11 N 1.50 2.67 0.43 -3.49 2.01 0.20 -4.66 118.68 117.34 1pls s LEU 11 Ca 0.14 -0.85 -0.18 0.00 0.01 0.00 0.00 54.13 53.25 1pls s LEU 11 Cb -0.20 -1.29 -0.09 0.00 0.01 0.00 0.00 46.19 44.62 1pls s LEU 11 CO -0.14 0.07 0.91 0.54 1.01 0.00 0.00 176.35 178.74 1pls s VAL 12 N -2.07 4.51 -0.01 -1.59 0.11 -1.00 -0.65 120.40 119.71 1pls s VAL 12 Ca 0.26 1.25 0.03 0.00 -2.93 0.00 0.00 61.98 60.59 1pls s VAL 12 Cb -0.07 -3.65 -0.01 0.00 -1.53 0.00 0.00 36.38 31.13 1pls s VAL 12 CO 0.14 -0.42 -0.10 -0.54 -3.33 0.00 0.00 175.10 170.85 1pls s LYS 13 N -3.45 0.83 -0.38 1.54 1.02 -0.98 -1.39 119.74 116.94 1pls s LYS 13 Ca 0.59 -0.36 -0.26 0.00 0.02 0.00 0.00 55.97 55.96 1pls s LYS 13 Cb -0.10 -0.81 0.02 0.00 -0.52 0.00 0.00 37.83 36.43 1pls s LYS 13 CO 0.20 0.22 0.93 0.21 -0.92 0.00 0.00 175.35 175.99 1pls s LYS 14 N -0.23 3.81 0.99 1.68 2.20 -0.52 -3.69 119.74 123.98 1pls s LYS 14 Ca 0.04 0.54 -0.12 0.00 -0.36 0.00 0.00 55.97 56.06 1pls s LYS 14 Cb -0.04 -3.81 0.18 0.00 -1.51 0.00 0.00 37.83 32.65 1pls s LYS 14 CO -0.00 -0.98 1.08 0.20 -0.36 0.00 0.00 175.35 175.30 1pls s GLY 15 N 1.92 1.58 0.06 5.54 0.00 -1.25 -4.65 107.32 110.52 1pls s GLY 15 Ca 0.38 -0.20 0.18 0.00 0.00 0.00 0.00 44.72 45.08 1pls s GLY 15 CO 0.19 0.39 0.78 -1.14 0.00 0.00 0.00 173.10 173.32 1pls n SER 16 N -4.21 0.75 -0.39 1.64 3.41 -1.26 -4.02 113.62 109.54 1pls n SER 16 Ca 0.06 0.32 0.35 0.00 -0.26 0.00 0.00 58.87 59.34 1pls n SER 16 Cb 0.56 0.38 0.68 0.00 -0.26 0.00 0.00 64.21 65.57 1pls n SER 16 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1pls h VAL 17 N 0.00 0.33 -1.29 -3.33 3.04 -2.01 -3.45 116.25 109.55 1pls h VAL 17 Ca -0.15 -0.04 0.05 0.00 -1.01 0.00 0.00 66.70 65.55 1pls h VAL 17 Cb 1.51 0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.98 1pls h VAL 17 CO 0.04 0.02 0.13 0.49 -1.01 0.00 0.00 177.57 177.23 1pls n PHE 18 N -4.35 -0.18 -2.67 3.17 3.72 -1.26 -5.06 117.46 110.83 1pls n PHE 18 Ca 0.30 -0.10 -0.43 0.00 -0.05 0.00 0.00 57.45 57.18 1pls n PHE 18 Cb 1.29 0.04 -0.01 0.00 -0.94 0.00 0.00 39.48 39.86 1pls n PHE 18 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1pls s ASN 19 N -1.40 6.72 0.28 4.37 0.01 -1.26 -4.47 114.94 119.19 1pls s ASN 19 Ca 0.04 -2.11 0.05 0.00 -0.71 0.00 0.00 52.86 50.13 1pls s ASN 19 Cb -0.00 -2.53 -0.06 0.00 0.41 0.00 0.00 41.25 39.08 1pls s ASN 19 CO -0.00 -1.22 -0.02 0.42 -1.51 0.00 0.00 177.10 174.77 1pls s THR 20 N 3.90 1.44 -0.26 1.60 -4.23 -1.26 -5.06 115.64 111.77 1pls s THR 20 Ca 0.47 -2.08 -0.02 0.00 -1.18 0.00 0.00 61.69 58.88 1pls s THR 20 Cb 0.00 -2.50 0.14 0.00 1.34 0.00 0.00 72.50 71.48 1pls s THR 20 CO -0.02 -0.25 0.37 0.26 -0.54 0.00 0.00 174.62 174.44 1pls s TRP 21 N -3.14 -0.80 -0.04 3.99 0.52 -1.26 -3.86 118.94 114.35 1pls s TRP 21 Ca 0.31 0.58 0.02 0.00 0.02 0.00 0.00 56.10 57.03 1pls s TRP 21 Cb 0.05 -0.09 0.01 0.00 -1.15 0.00 0.00 33.47 32.29 1pls s TRP 21 CO 0.12 -0.79 -0.09 0.15 0.02 0.00 0.00 176.95 176.36 1pls s LYS 22 N 2.51 1.12 0.59 4.98 1.02 -1.24 -4.93 119.74 123.79 1pls s LYS 22 Ca 0.11 -0.29 -0.18 0.00 0.02 0.00 0.00 55.97 55.63 1pls s LYS 22 Cb -0.15 -1.02 -0.06 0.00 -0.52 0.00 0.00 37.83 36.08 1pls s LYS 22 CO -0.20 0.06 0.75 -2.30 -0.92 0.00 0.00 175.35 172.73 1pls n PRO 23 N 3.57 0.69 -3.80 -1.68 -0.02 -1.26 -2.33 135.00 130.17 1pls n PRO 23 Ca -0.21 0.27 -0.08 0.00 -2.02 0.00 0.00 63.50 61.46 1pls n PRO 23 Cb 0.53 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 32.04 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 -2.45 1.68 0.09 -0.52 0.23 0.18 -4.78 119.30 113.73 1pls s MET 24 Ca 0.73 -0.92 -0.12 0.00 -1.03 0.00 0.00 55.69 54.34 1pls s MET 24 Cb -0.43 0.60 -0.06 0.00 -1.53 0.00 0.00 34.83 33.41 1pls s MET 24 CO 0.50 -0.76 0.46 -0.46 -2.03 0.00 0.00 175.02 172.73 1pls s TRP 25 N -3.90 3.62 -0.16 3.16 -0.11 -0.13 -0.63 118.94 120.79 1pls s TRP 25 Ca 0.10 0.92 -0.11 0.00 1.22 0.00 0.00 56.10 58.24 1pls s TRP 25 Cb -0.05 -2.26 0.05 0.00 -1.50 0.00 0.00 33.47 29.71 1pls s TRP 25 CO 0.04 0.51 0.39 0.54 -4.62 0.00 0.00 176.95 173.81 1pls s VAL 26 N -1.37 -0.02 -0.28 5.86 0.11 -0.91 -0.34 120.40 123.46 1pls s VAL 26 Ca 0.33 0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.46 1pls s VAL 26 Cb -0.15 -0.57 0.08 0.00 -1.53 0.00 0.00 36.38 34.21 1pls s VAL 26 CO 0.18 0.02 -0.01 0.68 -3.33 0.00 0.00 175.10 172.64 1pls s VAL 27 N 0.90 1.75 -0.43 2.04 -7.23 -0.97 -1.65 120.40 114.82 1pls s VAL 27 Ca -0.06 -1.64 -0.28 0.00 -1.81 0.00 0.00 61.98 58.19 1pls s VAL 27 Cb -0.06 -2.11 0.03 0.00 0.56 0.00 0.00 36.38 34.79 1pls s VAL 27 CO -0.07 -0.32 1.09 -1.48 -0.31 0.00 0.00 175.10 174.01 1pls s LEU 28 N 1.24 3.76 0.32 1.32 0.05 0.84 -2.32 118.68 123.88 1pls s LEU 28 Ca 0.01 0.58 0.03 0.00 0.05 0.00 0.00 54.13 54.80 1pls s LEU 28 Cb -0.19 -3.50 -0.03 0.00 -2.05 0.00 0.00 46.19 40.43 1pls s LEU 28 CO -0.09 -1.12 0.48 -0.76 -0.55 0.00 0.00 176.35 174.31 1pls s LEU 29 N 4.14 4.08 0.06 1.48 1.02 -0.79 -2.33 118.68 126.34 1pls s LEU 29 Ca 0.46 0.22 0.21 0.00 0.02 0.00 0.00 54.13 55.03 1pls s LEU 29 Cb -0.09 -3.07 0.86 0.00 0.02 0.00 0.00 46.19 43.91 1pls s LEU 29 CO 0.27 -0.27 1.65 -1.84 0.02 0.00 0.00 176.35 176.18 1pls n GLU 30 N -1.66 0.06 -0.06 1.70 0.28 -1.26 -2.34 120.64 117.35 1pls n GLU 30 Ca -0.05 0.21 0.07 0.00 -0.16 0.00 0.00 57.16 57.23 1pls n GLU 30 Cb 0.57 -1.59 0.09 0.00 1.43 0.00 0.00 31.44 31.94 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 -1.70 2.39 0.00 -1.84 5.68 -1.26 -4.79 116.55 115.04 1pls n ASP 31 Ca 0.04 -1.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 1pls n ASP 31 Cb 0.25 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 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 0.74 4.28 3.73 6.12 0.00 -0.99 -4.31 105.19 114.77 1pls n GLY 32 Ca 0.10 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.46 5.21 -0.16 -0.61 -1.09 -0.35 -1.89 121.20 120.85 1pls s ILE 33 Ca 0.00 0.86 -0.02 0.00 -2.23 0.00 0.00 60.65 59.26 1pls s ILE 33 Cb 0.00 -3.77 0.05 0.00 -1.58 0.00 0.00 42.46 37.16 1pls s ILE 33 CO 0.00 0.35 -0.00 -1.83 -1.23 0.00 0.00 174.94 172.23 1pls s GLU 34 N 0.51 0.90 0.08 2.79 -1.05 -0.98 -0.97 118.70 119.99 1pls s GLU 34 Ca 0.24 -0.35 0.10 0.00 -0.15 0.00 0.00 54.97 54.80 1pls s GLU 34 Cb -0.15 -1.85 -0.03 0.00 -0.44 0.00 0.00 34.13 31.66 1pls s GLU 34 CO 0.09 -0.51 -0.25 -0.59 0.95 0.00 0.00 175.26 174.95 1pls s PHE 35 N 1.80 2.35 0.00 4.83 -0.12 -1.01 -2.28 117.98 123.55 1pls s PHE 35 Ca 0.01 -0.38 0.00 0.00 -0.05 0.00 0.00 56.93 56.51 1pls s PHE 35 Cb -0.16 -1.34 0.00 0.00 -0.63 0.00 0.00 43.02 40.90 1pls s PHE 35 CO -0.07 0.24 0.00 0.66 -0.05 0.00 0.00 175.22 176.00 1pls n TYR 36 N 1.35 0.00 -0.11 3.49 4.01 0.54 -2.40 117.16 124.04 1pls n TYR 36 Ca -0.17 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.37 1pls n TYR 36 Cb 0.52 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.48 1pls n TYR 36 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1pls n LYS 37 N 0.00 0.55 -1.63 -0.72 4.81 -1.26 -1.52 118.16 118.39 1pls n LYS 37 Ca 0.00 0.39 -0.06 0.00 -0.87 0.00 0.00 58.31 57.77 1pls n LYS 37 Cb 0.00 -1.59 0.02 0.00 0.02 0.00 0.00 35.03 33.48 1pls n LYS 37 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1pls n LYS 38 N -4.40 0.95 0.29 1.64 5.02 -1.26 -0.95 118.16 119.45 1pls n LYS 38 Ca -0.33 -0.86 0.14 0.00 -2.02 0.00 0.00 58.31 55.25 1pls n LYS 38 Cb 0.66 -0.04 0.75 0.00 -0.02 0.00 0.00 35.03 36.38 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 -3.37 116.57 116.87 1pls h LYS 39 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1pls h LYS 39 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1pls h LYS 39 CO 0.11 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 177.72 1pls n SER 40 N -2.70 -0.74 0.00 4.20 7.64 -1.26 -4.98 113.62 115.78 1pls n SER 40 Ca -0.02 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1pls n SER 40 Cb 0.32 0.86 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 -2.89 -5.46 -1.61 6.43 2.03 -1.26 -2.99 116.55 110.79 1pls n ASP 41 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1pls n ASP 41 Cb 0.00 -3.24 -0.00 0.00 -0.72 0.00 0.00 41.12 37.16 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 -0.88 -0.54 -3.51 1.67 4.13 -1.26 -4.77 115.26 110.11 1pls n ASN 42 Ca 0.00 0.20 -0.00 0.00 1.68 0.00 0.00 54.58 56.46 1pls n ASN 42 Cb 0.44 -0.81 -0.05 0.00 -1.54 0.00 0.00 39.78 37.83 1pls n ASN 42 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1pls s SER 43 N -1.43 -0.69 0.62 6.41 0.15 -1.16 -5.16 113.70 112.44 1pls s SER 43 Ca 0.00 0.98 -0.14 0.00 0.70 0.00 0.00 55.95 57.49 1pls s SER 43 Cb 0.00 1.68 -0.03 0.00 -1.71 0.00 0.00 66.02 65.96 1pls s SER 43 CO 0.00 -0.14 1.05 -2.16 1.20 0.00 0.00 173.24 173.19 1pls s PRO 44 N 2.28 3.28 -0.00 5.44 0.04 -1.26 -4.56 135.00 140.21 1pls s PRO 44 Ca -0.05 1.06 0.01 0.00 0.04 0.00 0.00 61.00 62.06 1pls s PRO 44 Cb -0.07 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1pls s PRO 44 CO -0.17 -0.83 0.03 1.17 0.04 0.00 0.00 177.00 177.23 1pls n LYS 45 N -2.40 2.11 -3.65 4.56 3.00 -1.01 -4.99 118.16 115.78 1pls n LYS 45 Ca 0.08 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.31 58.37 1pls n LYS 45 Cb 0.53 -0.87 -0.07 0.00 0.00 0.00 0.00 35.03 34.62 1pls n LYS 45 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1pls s GLY 46 N -1.79 0.46 -0.11 3.14 0.00 -1.22 -5.06 107.32 102.74 1pls s GLY 46 Ca -0.00 3.65 -0.01 0.00 0.00 0.00 0.00 44.72 48.36 1pls s GLY 46 CO 0.04 2.22 -0.05 1.06 0.00 0.00 0.00 173.10 176.37 1pls s MET 47 N 0.36 1.22 0.06 2.90 -1.94 -1.26 -2.41 119.30 118.23 1pls s MET 47 Ca 0.02 -0.17 -0.19 0.00 -1.71 0.00 0.00 55.69 53.64 1pls s MET 47 Cb -0.04 -1.45 -0.06 0.00 2.01 0.00 0.00 34.83 35.28 1pls s MET 47 CO -0.14 -0.30 0.55 0.42 -0.01 0.00 0.00 175.02 175.54 1pls s ILE 48 N 1.79 4.79 0.52 2.53 1.01 -0.14 -4.92 121.20 126.77 1pls s ILE 48 Ca 0.04 1.17 -0.21 0.00 0.00 0.00 0.00 60.65 61.65 1pls s ILE 48 Cb -0.13 -3.88 -0.06 0.00 0.01 0.00 0.00 42.46 38.40 1pls s ILE 48 CO -0.07 0.54 1.18 -2.16 0.00 0.00 0.00 174.94 174.43 1pls s PRO 49 N -1.01 3.44 -0.15 2.79 0.04 -1.26 -1.20 135.00 137.64 1pls s PRO 49 Ca 0.28 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1pls s PRO 49 Cb -0.19 -2.19 0.14 0.00 0.04 0.00 0.00 34.50 32.30 1pls s PRO 49 CO 0.18 -0.82 1.70 -0.11 0.04 0.00 0.00 177.00 178.00 1pls n LEU 50 N -0.98 5.16 -3.64 -3.56 -0.00 -1.26 -4.55 117.00 108.17 1pls n LEU 50 Ca 0.10 -2.55 -0.07 0.00 -0.00 0.00 0.00 56.01 53.49 1pls n LEU 50 Cb 0.49 -0.89 -0.07 0.00 -0.00 0.00 0.00 43.42 42.95 1pls n LEU 50 CO 0.46 0.93 0.68 -1.59 -0.00 0.00 0.00 177.39 177.87 1pls s LYS 51 N -0.91 0.50 0.00 1.96 -2.85 -1.26 -4.33 119.74 112.85 1pls s LYS 51 Ca 0.16 0.68 0.00 0.00 -1.00 0.00 0.00 55.97 55.80 1pls s LYS 51 Cb 0.13 0.20 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 1pls s LYS 51 CO 0.01 -0.07 0.00 0.41 0.10 0.00 0.00 175.35 175.80 1pls n GLY 52 N 2.79 2.40 3.15 0.59 0.00 -1.26 -4.31 105.19 108.55 1pls n GLY 52 Ca -0.15 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 1pls n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pls n SER 53 N 1.06 -4.60 -4.55 1.61 7.64 -1.25 -1.65 113.62 111.88 1pls n SER 53 Ca 0.00 0.36 -0.25 0.00 1.01 0.00 0.00 58.87 59.99 1pls n SER 53 Cb 0.00 -0.87 -0.11 0.00 -1.01 0.00 0.00 64.21 62.23 1pls n SER 53 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1pls s THR 54 N -2.02 1.67 -0.08 0.44 -1.32 0.17 -4.56 115.64 109.94 1pls s THR 54 Ca 0.48 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.96 1pls s THR 54 Cb -0.29 -2.91 0.02 0.00 -1.51 0.00 0.00 72.50 67.82 1pls s THR 54 CO 0.75 -0.01 -0.07 -0.22 -2.21 0.00 0.00 174.62 172.87 1pls s LEU 55 N -3.62 1.21 -0.15 9.08 0.20 -1.26 -2.03 118.68 122.10 1pls s LEU 55 Ca 0.36 -0.22 0.00 0.00 0.69 0.00 0.00 54.13 54.95 1pls s LEU 55 Cb 0.09 -0.68 -0.00 0.00 -0.43 0.00 0.00 46.19 45.17 1pls s LEU 55 CO 0.17 -0.09 -0.15 -0.89 -0.29 0.00 0.00 176.35 175.11 1pls s THR 56 N 1.36 2.73 -0.16 3.68 2.01 -0.44 -4.96 115.64 119.86 1pls s THR 56 Ca -0.03 -0.75 -0.08 0.00 0.31 0.00 0.00 61.69 61.14 1pls s THR 56 Cb -0.14 -2.15 0.06 0.00 0.01 0.00 0.00 72.50 70.28 1pls s THR 56 CO -0.03 0.51 0.37 -0.55 -0.69 0.00 0.00 174.62 174.23 1pls s SER 57 N 0.78 -0.36 1.13 3.53 0.15 -1.26 -2.21 113.70 115.45 1pls s SER 57 Ca -0.06 0.81 -0.16 0.00 0.70 0.00 0.00 55.95 57.24 1pls s SER 57 Cb -0.15 0.77 0.23 0.00 -1.71 0.00 0.00 66.02 65.15 1pls s SER 57 CO 0.01 -0.20 1.01 -0.81 1.20 0.00 0.00 173.24 174.44 1pls n PRO 58 N 4.49 -2.12 -4.04 5.44 -0.04 -1.26 -5.13 135.00 132.34 1pls n PRO 58 Ca -0.21 -1.58 -0.12 0.00 -0.04 0.00 0.00 63.50 61.55 1pls n PRO 58 Cb 0.54 -1.29 -0.04 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.48 -3.36 -0.24 0.00 7.27 -1.26 -4.77 117.38 114.53 1pls n GLN 60 Ca -0.01 2.49 0.04 0.00 0.07 0.00 0.00 57.00 59.60 1pls n GLN 60 Cb 0.62 -2.79 0.06 0.00 2.41 0.00 0.00 30.24 30.54 1pls n GLN 60 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1pls n ASP 61 N -0.72 1.17 -0.04 1.69 -0.08 -1.26 -4.43 116.55 112.87 1pls n ASP 61 Ca 0.00 -2.41 -0.02 0.00 -1.51 0.00 0.00 54.79 50.85 1pls n ASP 61 Cb 0.00 -0.27 -0.01 0.00 2.34 0.00 0.00 41.12 43.18 1pls n ASP 61 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1pls h PHE 62 N 0.00 0.00 0.00 -0.67 0.04 -2.05 -3.40 116.94 110.85 1pls h PHE 62 Ca 0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1pls h PHE 62 Cb 1.13 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.27 1pls h PHE 62 CO 0.04 0.00 -1.21 0.41 -0.60 0.00 0.00 178.31 176.95 1pls n GLY 63 N 1.69 -1.35 3.08 -1.45 0.00 -1.26 -4.92 105.19 100.99 1pls n GLY 63 Ca -0.04 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.71 -2.36 -0.79 1.61 2.85 -1.26 -4.71 118.16 110.78 1pls n LYS 64 Ca -0.04 0.06 0.04 0.00 -1.05 0.00 0.00 58.31 57.32 1pls n LYS 64 Cb 0.65 -4.58 0.34 0.00 -0.65 0.00 0.00 35.03 30.78 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 -2.96 4.20 -1.39 -1.58 0.63 -1.26 -5.05 116.66 109.26 1pls n ARG 65 Ca 0.03 -2.70 0.19 0.00 -0.92 0.00 0.00 57.85 54.45 1pls n ARG 65 Cb 0.49 -2.15 -0.05 0.00 0.45 0.00 0.00 32.46 31.20 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 0.44 -2.81 0.00 -0.14 2.81 -1.26 -4.81 117.12 111.34 1pls n MET 66 Ca 0.26 1.87 0.00 0.00 -1.81 0.00 0.00 57.70 58.02 1pls n MET 66 Cb 1.10 -3.43 0.00 0.00 -0.71 0.00 0.00 33.22 30.18 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 -4.10 0.00 -4.53 2.03 3.72 -1.26 -4.93 117.46 108.39 1pls n PHE 67 Ca 0.01 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.07 1pls n PHE 67 Cb 0.66 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 39.09 1pls n PHE 67 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1pls s VAL 68 N -2.27 3.79 0.36 -4.37 0.11 -1.26 -2.14 120.40 114.61 1pls s VAL 68 Ca 0.00 -0.42 0.08 0.00 -2.93 0.00 0.00 61.98 58.70 1pls s VAL 68 Cb 0.00 -2.60 -0.07 0.00 -1.53 0.00 0.00 36.38 32.18 1pls s VAL 68 CO 0.00 0.55 -0.04 0.72 -3.33 0.00 0.00 175.10 173.00 1pls s PHE 69 N -0.26 2.35 -0.34 1.54 -0.12 -0.98 -3.33 117.98 116.85 1pls s PHE 69 Ca 0.04 -0.62 0.01 0.00 -0.05 0.00 0.00 56.93 56.30 1pls s PHE 69 Cb -0.13 -1.49 0.11 0.00 -0.63 0.00 0.00 43.02 40.88 1pls s PHE 69 CO 0.02 0.45 0.12 0.21 -0.05 0.00 0.00 175.22 175.97 1pls s LYS 70 N -3.68 0.98 0.33 1.99 2.20 -0.94 -2.35 119.74 118.26 1pls s LYS 70 Ca 0.33 -1.42 -0.06 0.00 -0.36 0.00 0.00 55.97 54.47 1pls s LYS 70 Cb 0.06 -2.30 -0.05 0.00 -1.51 0.00 0.00 37.83 34.03 1pls s LYS 70 CO 0.16 -1.01 0.61 0.42 -0.36 0.00 0.00 175.35 175.17 1pls s ILE 71 N 1.23 4.98 -0.17 5.43 1.01 -1.00 -1.32 121.20 131.36 1pls s ILE 71 Ca 0.12 0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 1pls s ILE 71 Cb -0.19 -3.75 0.05 0.00 0.01 0.00 0.00 42.46 38.58 1pls s ILE 71 CO -0.17 -0.41 0.03 -0.89 0.00 0.00 0.00 174.94 173.49 1pls s THR 72 N -2.20 0.51 -0.20 2.92 2.01 -0.86 0.50 115.64 118.31 1pls s THR 72 Ca 0.45 -0.42 -0.32 0.00 0.31 0.00 0.00 61.69 61.72 1pls s THR 72 Cb -0.10 -0.93 -0.09 0.00 0.01 0.00 0.00 72.50 71.38 1pls s THR 72 CO 0.32 -0.10 2.09 1.07 -0.69 0.00 0.00 174.62 177.31 1pls n THR 73 N 5.07 0.40 -1.85 -0.82 5.66 -1.04 0.44 114.28 122.14 1pls n THR 73 Ca -0.09 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 1pls n THR 73 Cb 0.48 -2.07 0.00 0.00 -1.55 0.00 0.00 70.33 67.19 1pls n THR 73 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1pls n THR 74 N 6.64 0.00 -2.01 1.09 5.66 -0.66 0.48 114.28 125.48 1pls n THR 74 Ca 0.30 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.30 1pls n THR 74 Cb 0.33 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.11 1pls n THR 74 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1pls n LYS 75 N -1.84 0.00 0.00 1.09 3.00 -1.01 -4.93 118.16 114.47 1pls n LYS 75 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1pls n LYS 75 Cb 0.29 -2.39 0.00 0.00 0.00 0.00 0.00 35.03 32.93 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 -0.86 0.00 -3.82 1.64 6.02 0.18 -5.07 117.38 115.47 1pls n GLN 76 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 1pls n GLN 76 Cb 0.48 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.65 1pls n GLN 76 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1pls s GLN 77 N 0.00 4.12 0.85 -1.09 0.74 -1.26 -4.88 119.66 118.14 1pls s GLN 77 Ca 0.00 -0.26 -0.13 0.00 0.05 0.00 0.00 55.36 55.02 1pls s GLN 77 Cb 0.00 -3.36 0.11 0.00 1.10 0.00 0.00 33.01 30.86 1pls s GLN 77 CO 0.00 0.28 1.19 -0.51 -0.55 0.00 0.00 175.29 175.70 1pls s ASP 78 N 0.38 4.10 -0.32 6.67 1.11 -1.26 -2.50 116.67 124.86 1pls s ASP 78 Ca 0.06 0.75 0.00 0.00 0.18 0.00 0.00 52.55 53.55 1pls s ASP 78 Cb -0.12 -1.19 0.14 0.00 1.07 0.00 0.00 42.92 42.82 1pls s ASP 78 CO -0.01 -2.16 0.30 -1.00 1.18 0.00 0.00 175.17 173.48 1pls s HIS 79 N -3.56 -0.23 -0.60 4.23 3.76 0.18 -4.88 115.29 114.19 1pls s HIS 79 Ca 0.64 -0.58 -0.20 0.00 -0.15 0.00 0.00 55.06 54.77 1pls s HIS 79 Cb -0.11 -0.52 0.09 0.00 1.11 0.00 0.00 32.58 33.15 1pls s HIS 79 CO 0.50 -0.92 0.76 -0.06 -0.85 0.00 0.00 174.74 174.18 1pls s PHE 80 N 1.92 2.92 0.23 1.40 0.40 -1.25 -2.36 117.98 121.25 1pls s PHE 80 Ca 0.13 -0.85 0.10 0.00 -0.60 0.00 0.00 56.93 55.71 1pls s PHE 80 Cb -0.15 -4.06 -0.04 0.00 0.51 0.00 0.00 43.02 39.27 1pls s PHE 80 CO -0.21 -1.37 -0.10 -0.59 0.70 0.00 0.00 175.22 173.65 1pls s PHE 81 N 3.01 2.55 -0.10 0.36 -0.71 -0.99 -1.44 117.98 120.65 1pls s PHE 81 Ca 0.14 -0.26 0.03 0.00 -1.04 0.00 0.00 56.93 55.81 1pls s PHE 81 Cb -0.22 -1.17 0.00 0.00 -1.21 0.00 0.00 43.02 40.42 1pls s PHE 81 CO 0.07 0.60 -0.22 -1.14 -1.34 0.00 0.00 175.22 173.19 1pls s GLN 82 N -3.27 2.86 0.00 1.99 0.74 -0.48 -2.31 119.66 119.19 1pls s GLN 82 Ca 0.28 -0.81 0.26 0.00 0.05 0.00 0.00 55.36 55.14 1pls s GLN 82 Cb -0.07 -2.21 0.75 0.00 1.10 0.00 0.00 33.01 32.58 1pls s GLN 82 CO 0.16 0.12 1.57 0.00 -0.55 0.00 0.00 175.29 176.59 1pls n ALA 83 N 3.69 3.19 -1.12 1.58 0.00 -0.91 -2.37 120.51 124.57 1pls n ALA 83 Ca -0.20 -0.34 -0.04 0.00 0.00 0.00 0.00 53.44 52.87 1pls n ALA 83 Cb 0.52 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.15 -0.06 -3.00 0.00 0.00 -1.26 -4.76 120.51 110.28 1pls n ALA 84 Ca 0.09 0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.50 1pls n ALA 84 Cb 0.33 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.33 1pls n ALA 84 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1pls s PHE 85 N -1.49 0.04 -0.22 0.00 0.08 -1.26 -5.04 117.98 110.08 1pls s PHE 85 Ca 0.00 -0.39 -0.16 0.00 0.12 0.00 0.00 56.93 56.50 1pls s PHE 85 Cb 0.00 0.19 -0.18 0.00 -0.57 0.00 0.00 43.02 42.46 1pls s PHE 85 CO 0.00 -0.78 0.05 -0.11 -0.10 0.00 0.00 175.22 174.28 1pls n LEU 86 N -0.25 2.06 -0.08 -0.37 0.00 -1.26 -2.89 117.00 114.21 1pls n LEU 86 Ca -0.11 0.34 -0.13 0.00 0.00 0.00 0.00 56.01 56.11 1pls n LEU 86 Cb 0.63 -0.94 -0.05 0.00 0.00 0.00 0.00 43.42 43.05 1pls n LEU 86 CO 0.20 0.48 0.60 -0.08 0.00 0.00 0.00 177.39 178.59 1pls h GLU 87 N -0.79 0.54 -0.22 1.96 4.57 -1.99 -2.58 114.58 116.07 1pls h GLU 87 Ca -0.47 -0.28 -0.11 0.00 -1.18 0.00 0.00 59.36 57.32 1pls h GLU 87 Cb 1.53 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.11 1pls h GLU 87 CO -0.22 0.86 -0.35 1.49 -1.18 0.00 0.00 179.01 179.60 1pls h GLU 88 N 0.24 0.46 0.77 1.92 4.81 -1.93 -2.57 114.58 118.28 1pls h GLU 88 Ca 0.04 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 1pls h GLU 88 Cb 0.74 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.12 1pls h GLU 88 CO 0.05 0.75 -0.37 -0.09 -0.73 0.00 0.00 179.01 178.63 1pls h ARG 89 N 0.39 -0.99 -0.91 1.92 1.12 -1.44 0.61 114.38 115.09 1pls h ARG 89 Ca 0.04 0.07 0.14 0.00 -1.11 0.00 0.00 59.98 59.12 1pls h ARG 89 Cb 0.80 0.23 -0.07 0.00 -0.01 0.00 0.00 29.97 30.92 1pls h ARG 89 CO 0.06 -0.66 0.58 -0.44 -3.11 0.00 0.00 179.97 176.41 1pls h ASP 90 N -1.11 0.71 0.78 -3.80 5.19 -1.51 0.16 116.42 116.84 1pls h ASP 90 Ca -0.11 0.04 -0.08 0.00 -0.62 0.00 0.00 57.03 56.26 1pls h ASP 90 Cb 0.79 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.19 1pls h ASP 90 CO 0.17 0.36 -0.40 0.00 -3.12 0.00 0.00 179.24 176.25 1pls h ALA 91 N 1.59 1.01 0.04 3.45 0.00 -1.31 -1.31 119.26 122.74 1pls h ALA 91 Ca 0.46 -0.37 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 1pls h ALA 91 Cb 0.67 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1pls h ALA 91 CO -0.22 0.50 -1.06 -1.49 0.00 0.00 0.00 179.25 176.98 1pls h TRP 92 N 0.00 0.14 0.03 0.00 4.06 0.17 -2.48 115.95 117.87 1pls h TRP 92 Ca -0.00 -0.10 -0.25 0.00 2.06 0.00 0.00 58.89 60.59 1pls h TRP 92 Cb 0.90 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 29.03 1pls h TRP 92 CO 0.00 1.07 -1.30 -0.24 -3.56 0.00 0.00 178.44 174.41 1pls h VAL 93 N 0.02 1.37 0.00 1.49 3.04 -1.05 -2.62 116.25 118.51 1pls h VAL 93 Ca -0.05 -3.09 -0.10 0.00 -1.01 0.00 0.00 66.70 62.46 1pls h VAL 93 Cb 1.81 2.73 -0.01 0.00 -2.01 0.00 0.00 31.29 33.81 1pls h VAL 93 CO 0.15 0.82 -0.46 0.08 -1.01 0.00 0.00 177.57 177.14 1pls h ARG 94 N 0.02 0.00 0.18 4.17 0.11 -1.31 -1.23 114.38 116.31 1pls h ARG 94 Ca -0.14 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.67 1pls h ARG 94 Cb 1.90 0.00 0.02 0.00 1.11 0.00 0.00 29.97 33.00 1pls h ARG 94 CO 0.13 0.46 -1.26 0.22 0.10 0.00 0.00 179.97 179.63 1pls h ASP 95 N 0.00 0.58 -0.02 0.08 1.82 -1.50 0.17 116.42 117.55 1pls h ASP 95 Ca -0.00 -0.92 -0.18 0.00 -0.39 0.00 0.00 57.03 55.53 1pls h ASP 95 Cb 1.25 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 41.07 1pls h ASP 95 CO 0.06 1.59 -0.63 0.40 -1.61 0.00 0.00 179.24 179.04 1pls h ILE 96 N -0.15 1.31 0.09 2.25 2.04 -1.52 -1.92 117.51 119.62 1pls h ILE 96 Ca -0.24 -1.89 -0.25 0.00 1.00 0.00 0.00 64.86 63.48 1pls h ILE 96 Cb 1.88 1.85 -0.00 0.00 -0.74 0.00 0.00 36.82 39.81 1pls h ILE 96 CO 0.17 0.59 -1.16 -1.13 0.00 0.00 0.00 178.15 176.62 1pls h ASN 97 N 0.47 0.33 -0.49 1.72 -0.00 -1.33 -2.60 115.58 113.67 1pls h ASN 97 Ca -0.01 -0.34 -0.12 0.00 -0.00 0.00 0.00 56.30 55.83 1pls h ASN 97 Cb 1.21 -0.11 -0.02 0.00 -0.00 0.00 0.00 38.32 39.41 1pls h ASN 97 CO 0.12 1.26 -0.14 0.50 -0.00 0.00 0.00 177.43 179.17 1pls h LYS 98 N 0.07 0.98 -0.11 6.67 3.11 -0.93 0.17 116.57 126.52 1pls h LYS 98 Ca -0.10 -0.37 -0.04 0.00 -2.81 0.00 0.00 60.65 57.33 1pls h LYS 98 Cb 1.89 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 33.06 1pls h LYS 98 CO 0.18 1.05 -0.07 0.00 -2.81 0.00 0.00 179.45 177.80 1pls h ALA 99 N 0.96 0.16 0.00 5.00 0.00 -1.40 -0.46 119.26 123.53 1pls h ALA 99 Ca 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1pls h ALA 99 Cb 0.70 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1pls h ALA 99 CO 0.05 -0.04 -0.03 0.82 0.00 0.00 0.00 179.25 180.05 1pls h ILE 100 N -0.12 0.11 0.00 0.00 2.04 -1.38 -1.35 117.51 116.81 1pls h ILE 100 Ca 0.02 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1pls h ILE 100 Cb 0.55 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1pls h ILE 100 CO 0.02 0.03 -0.57 0.29 0.00 0.00 0.00 178.15 177.92 1pls n LYS 101 N -3.17 0.08 -0.04 2.37 4.76 0.57 -3.38 118.16 119.35 1pls n LYS 101 Ca -0.00 0.02 -0.18 0.00 -2.87 0.00 0.00 58.31 55.27 1pls n LYS 101 Cb 0.27 -1.54 -0.14 0.00 -1.84 0.00 0.00 35.03 31.78 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 0.04 1.25 0.00 0.00 1.08 -1.44 -1.49 117.51 116.94 1pls h ILE 103 Ca -0.46 -1.33 0.00 0.00 -0.39 0.00 0.00 64.86 62.68 1pls h ILE 103 Cb 2.01 1.72 0.00 0.00 -3.07 0.00 0.00 36.82 37.48 1pls h ILE 103 CO 0.03 0.38 0.00 -0.33 -0.69 0.00 0.00 178.15 177.54 1pls h GLU 104 N 0.00 0.00 -0.10 2.37 5.08 -1.70 -1.54 114.58 118.68 1pls h GLU 104 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pls h GLU 104 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1pls h GLU 104 CO 0.05 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.47 1pls n GLY 105 N -0.31 0.57 2.74 -3.84 0.00 -0.64 -4.66 105.19 99.05 1pls n GLY 105 Ca 0.01 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 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 0.48 6.52 0.08 0.99 4.77 -0.58 -4.79 117.00 124.47 1pls n LEU 106 Ca 0.07 -5.43 -0.13 0.00 -0.03 0.00 0.00 56.01 50.49 1pls n LEU 106 Cb 0.29 -0.97 -0.08 0.00 -2.33 0.00 0.00 43.42 40.32 1pls n LEU 106 CO 0.06 2.12 0.70 -0.33 -1.33 0.00 0.00 177.39 178.61 1pls h GLU 107 N 3.73 -0.18 -3.52 3.23 5.08 -1.83 -3.48 114.58 117.62 1pls h GLU 107 Ca 0.42 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.67 1pls h GLU 107 Cb 0.37 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1pls h GLU 107 CO 1.09 0.07 0.04 -3.38 -1.00 0.00 0.00 179.01 175.83 1pls s HIS 108 N -5.24 0.51 0.57 4.33 -3.43 -1.26 -5.13 115.29 105.63 1pls s HIS 108 Ca -0.15 -0.96 0.00 0.00 -0.80 0.00 0.00 55.06 53.16 1pls s HIS 108 Cb 0.04 0.39 0.00 0.00 -1.43 0.00 0.00 32.58 31.58 1pls s HIS 108 CO 0.63 -1.31 0.00 0.72 -2.00 0.00 0.00 174.74 172.78 1pls n HIS 109 N -0.52 -3.98 -0.03 0.38 8.25 -1.26 -4.88 115.22 113.18 1pls n HIS 109 Ca -0.04 2.16 -0.01 0.00 -0.26 0.00 0.00 57.72 59.57 1pls n HIS 109 Cb 0.61 -3.42 -0.07 0.00 1.12 0.00 0.00 29.99 28.23 1pls n HIS 109 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1pls n HIS 110 N -2.93 0.00 -1.02 4.41 8.25 -1.26 -5.03 115.22 117.64 1pls n HIS 110 Ca -0.02 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.51 1pls n HIS 110 Cb 0.50 -0.34 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 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 -2.15 -2.75 -0.10 4.41 -0.00 -1.26 -4.91 115.22 108.46 1pls n HIS 111 Ca -0.10 1.51 -0.19 0.00 -0.00 0.00 0.00 57.72 58.94 1pls n HIS 111 Cb 0.60 -2.49 -0.08 0.00 -0.00 0.00 0.00 29.99 28.02 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 -3.01 0.00 -0.15 1.57 8.25 -1.26 -5.31 115.22 115.31 1pls n HIS 112 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1pls n HIS 112 Cb 0.41 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 30.80 1pls n HIS 112 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56