#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2baz s GLN 2 N 0.00 4.43 -0.13 0.03 0.74 -1.26 -5.06 119.66 118.41 2baz s GLN 2 Ca 0.00 0.89 -0.00 0.00 0.05 0.00 0.00 55.36 56.30 2baz s GLN 2 Cb 0.00 -3.41 0.03 0.00 1.10 0.00 0.00 33.01 30.73 2baz s GLN 2 CO 0.00 0.18 -0.09 0.42 -0.55 0.00 0.00 175.29 175.25 2baz s ILE 3 N 0.39 1.18 -0.04 -2.34 1.01 -1.26 -4.47 121.20 115.67 2baz s ILE 3 Ca 0.36 -0.41 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 2baz s ILE 3 Cb -0.18 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 2baz s ILE 3 CO 0.19 0.37 0.94 -0.54 0.00 0.00 0.00 174.94 175.91 2baz s LYS 4 N 1.64 4.50 -0.04 2.79 1.02 -1.21 -4.92 119.74 123.52 2baz s LYS 4 Ca 0.05 1.32 0.04 0.00 0.02 0.00 0.00 55.97 57.40 2baz s LYS 4 Cb -0.13 -3.48 -0.00 0.00 -0.52 0.00 0.00 37.83 33.69 2baz s LYS 4 CO -0.09 -0.12 -0.17 -1.50 -0.92 0.00 0.00 175.35 172.55 2baz s ILE 5 N 1.29 1.44 -0.06 2.17 2.07 -1.26 -1.16 121.20 125.68 2baz s ILE 5 Ca 0.48 -0.72 0.03 0.00 -1.41 0.00 0.00 60.65 59.03 2baz s ILE 5 Cb -0.20 -1.23 -0.02 0.00 0.13 0.00 0.00 42.46 41.14 2baz s ILE 5 CO 0.23 0.41 -0.14 -0.75 -1.91 0.00 0.00 174.94 172.79 2baz s LYS 6 N 0.02 2.67 0.00 3.50 2.20 0.84 -4.99 119.74 123.98 2baz s LYS 6 Ca -0.03 -0.69 0.01 0.00 -0.36 0.00 0.00 55.97 54.90 2baz s LYS 6 Cb -0.11 -2.43 -0.04 0.00 -1.51 0.00 0.00 37.83 33.74 2baz s LYS 6 CO 0.02 0.56 0.02 0.71 -0.36 0.00 0.00 175.35 176.30 2baz s TYR 7 N -0.55 3.13 0.34 4.03 2.02 -1.26 -1.60 117.35 123.45 2baz s TYR 7 Ca 0.08 0.11 0.06 0.00 -0.37 0.00 0.00 57.07 56.95 2baz s TYR 7 Cb -0.12 -1.68 0.74 0.00 -0.40 0.00 0.00 41.96 40.50 2baz s TYR 7 CO 0.01 0.49 1.89 1.25 -1.57 0.00 0.00 175.55 177.62 2baz h LEU 8 N 4.21 0.72 0.00 -1.29 5.85 -1.76 -3.46 115.31 119.58 2baz h LEU 8 Ca -0.49 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.35 2baz h LEU 8 Cb 1.18 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 2baz h LEU 8 CO 0.59 0.40 0.44 -0.90 -0.34 0.00 0.00 178.44 178.63 2baz n ASP 9 N -4.54 -1.72 0.13 1.25 5.68 -1.26 -5.04 116.55 111.04 2baz n ASP 9 Ca 0.16 -2.01 0.13 0.00 -0.50 0.00 0.00 54.79 52.56 2baz n ASP 9 Cb 0.38 2.83 0.47 0.00 -1.14 0.00 0.00 41.12 43.66 2baz n ASP 9 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2baz h GLU 10 N 0.00 0.00 0.00 0.11 -0.00 -2.02 -3.11 114.58 109.55 2baz h GLU 10 Ca -0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.09 2baz h GLU 10 Cb 1.09 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.84 2baz h GLU 10 CO 0.35 0.00 -0.14 1.79 -0.00 0.00 0.00 179.01 181.00 2baz h THR 11 N 0.00 0.06 -3.72 -1.06 1.35 -1.99 -3.45 112.91 104.10 2baz h THR 11 Ca 0.00 -1.09 -0.53 0.00 -0.55 0.00 0.00 66.41 64.24 2baz h THR 11 Cb 0.49 1.98 0.08 0.00 -1.73 0.00 0.00 68.15 68.97 2baz h THR 11 CO 0.00 0.04 0.74 -1.10 -0.25 0.00 0.00 175.52 174.95 2baz s GLN 12 N -3.21 4.23 0.01 4.72 -1.52 -1.18 -4.93 119.66 117.78 2baz s GLN 12 Ca 0.06 2.39 -0.30 0.00 -1.95 0.00 0.00 55.36 55.56 2baz s GLN 12 Cb 0.06 -3.04 -0.05 0.00 -0.22 0.00 0.00 33.01 29.75 2baz s GLN 12 CO 0.69 -0.41 1.35 0.99 -0.25 0.00 0.00 175.29 177.66 2baz s THR 13 N -0.73 3.78 0.40 -0.19 2.01 -1.26 -4.99 115.64 114.67 2baz s THR 13 Ca 0.54 1.19 -0.24 0.00 0.31 0.00 0.00 61.69 63.49 2baz s THR 13 Cb -0.43 -3.76 -0.09 0.00 0.01 0.00 0.00 72.50 68.23 2baz s THR 13 CO 0.53 0.02 1.11 -0.13 -0.69 0.00 0.00 174.62 175.45 2baz s ARG 14 N 2.11 4.09 -0.15 4.92 3.00 -1.26 -4.97 118.95 126.68 2baz s ARG 14 Ca 0.62 1.66 0.17 0.00 0.00 0.00 0.00 55.73 58.19 2baz s ARG 14 Cb -0.31 -2.59 0.35 0.00 0.00 0.00 0.00 34.95 32.40 2baz s ARG 14 CO 0.26 -0.24 1.21 0.44 0.00 0.00 0.00 175.30 176.97 2baz n ILE 15 N -0.03 2.02 -2.95 1.52 -5.35 -1.26 -5.00 119.36 108.31 2baz n ILE 15 Ca 0.05 -2.38 -0.41 0.00 -0.27 0.00 0.00 62.75 59.73 2baz n ILE 15 Cb 0.48 -0.25 -0.05 0.00 -1.74 0.00 0.00 39.64 38.09 2baz n ILE 15 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2baz s ASN 16 N -2.80 6.82 0.34 7.28 4.22 -1.26 -5.01 114.94 124.54 2baz s ASN 16 Ca 0.35 1.02 -0.12 0.00 -2.14 0.00 0.00 52.86 51.97 2baz s ASN 16 Cb 0.31 -2.42 0.03 0.00 1.28 0.00 0.00 41.25 40.45 2baz s ASN 16 CO 0.02 -0.42 0.64 -1.59 -2.04 0.00 0.00 177.10 173.71 2baz s LYS 17 N 2.43 2.01 -0.22 3.55 -2.85 -1.26 -5.10 119.74 118.29 2baz s LYS 17 Ca 0.34 -1.48 -0.29 0.00 -1.00 0.00 0.00 55.97 53.55 2baz s LYS 17 Cb -0.16 0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 2baz s LYS 17 CO 0.10 -0.89 1.88 1.41 0.10 0.00 0.00 175.35 177.94 2baz s MET 18 N -2.92 3.52 0.17 1.78 -2.45 -1.26 -4.96 119.30 113.18 2baz s MET 18 Ca 0.21 1.81 0.02 0.00 -1.25 0.00 0.00 55.69 56.48 2baz s MET 18 Cb -0.03 -4.19 -0.04 0.00 1.25 0.00 0.00 34.83 31.82 2baz s MET 18 CO 0.14 -1.64 0.31 -1.21 1.05 0.00 0.00 175.02 173.67 2baz s GLU 19 N 5.39 3.45 0.00 4.11 0.41 -1.26 -5.01 118.70 125.80 2baz s GLU 19 Ca 0.84 -0.58 0.00 0.00 -0.41 0.00 0.00 54.97 54.82 2baz s GLU 19 Cb -0.29 -2.93 0.00 0.00 -1.78 0.00 0.00 34.13 29.13 2baz s GLU 19 CO 0.34 0.49 0.54 1.04 -0.49 0.00 0.00 175.26 177.17 2baz n GLN 20 N -0.69 0.00 0.00 1.61 6.02 -1.26 -5.01 117.38 118.04 2baz n GLN 20 Ca -0.07 -0.41 0.00 0.00 -0.01 0.00 0.00 57.00 56.51 2baz n GLN 20 Cb 0.54 -0.26 0.00 0.00 1.02 0.00 0.00 30.24 31.54 2baz n GLN 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2baz n GLY 21 N 0.00 1.89 3.77 1.08 0.00 -1.26 -5.12 105.19 105.55 2baz n GLY 21 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2baz n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2baz s ASP 22 N -1.99 5.34 0.82 1.61 -0.00 -1.26 -4.99 116.67 116.21 2baz s ASP 22 Ca 0.00 2.07 -0.13 0.00 -0.00 0.00 0.00 52.55 54.49 2baz s ASP 22 Cb 0.00 -2.56 0.09 0.00 -0.00 0.00 0.00 42.92 40.45 2baz s ASP 22 CO 0.00 -1.47 1.20 0.26 -0.00 0.00 0.00 175.17 175.15 2baz s TRP 23 N -2.12 1.76 -0.15 4.23 0.52 -1.26 -4.99 118.94 116.93 2baz s TRP 23 Ca 0.69 1.69 -0.02 0.00 0.02 0.00 0.00 56.10 58.49 2baz s TRP 23 Cb -0.22 -3.47 -0.02 0.00 -1.15 0.00 0.00 33.47 28.62 2baz s TRP 23 CO 0.36 -2.86 -0.09 0.42 0.02 0.00 0.00 176.95 174.80 2baz s ILE 24 N -2.22 3.37 0.22 2.03 1.01 0.64 -4.87 121.20 121.38 2baz s ILE 24 Ca 0.72 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 2baz s ILE 24 Cb -0.28 -2.45 -0.09 0.00 0.01 0.00 0.00 42.46 39.65 2baz s ILE 24 CO 0.52 0.50 1.15 -1.81 0.00 0.00 0.00 174.94 175.30 2baz s ASP 25 N 0.48 7.17 0.26 3.58 -0.00 -1.26 -0.61 116.67 126.29 2baz s ASP 25 Ca -0.07 2.23 0.10 0.00 -0.00 0.00 0.00 52.55 54.81 2baz s ASP 25 Cb -0.15 -2.61 -0.04 0.00 -0.00 0.00 0.00 42.92 40.11 2baz s ASP 25 CO 0.04 -0.27 -0.02 -0.76 -0.00 0.00 0.00 175.17 174.15 2baz s LEU 26 N -0.72 3.14 0.07 1.23 1.43 0.01 -4.96 118.68 118.88 2baz s LEU 26 Ca 0.49 -0.67 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 2baz s LEU 26 Cb -0.32 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 2baz s LEU 26 CO 0.38 0.01 -0.10 -0.13 0.23 0.00 0.00 176.35 176.75 2baz s ARG 27 N -3.61 0.72 0.18 1.70 0.52 -1.26 -1.42 118.95 115.77 2baz s ARG 27 Ca 0.31 -0.98 -0.33 0.00 -0.52 0.00 0.00 55.73 54.21 2baz s ARG 27 Cb -0.06 -0.46 -0.13 0.00 0.52 0.00 0.00 34.95 34.82 2baz s ARG 27 CO 0.19 0.08 1.68 0.00 0.02 0.00 0.00 175.30 177.27 2baz n ALA 28 N 0.97 2.22 0.94 2.13 0.00 -0.70 -4.26 120.51 121.81 2baz n ALA 28 Ca -0.19 0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.78 2baz n ALA 28 Cb 0.56 -2.47 0.57 0.00 0.00 0.00 0.00 19.45 18.11 2baz n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2baz n ALA 29 N 3.96 2.21 -3.67 0.00 0.00 0.54 -0.84 120.51 122.71 2baz n ALA 29 Ca 0.17 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.46 2baz n ALA 29 Cb 0.33 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 2baz n ALA 29 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2baz s GLU 30 N -2.95 1.06 0.37 0.00 -1.05 -1.26 -4.83 118.70 110.04 2baz s GLU 30 Ca 0.14 -0.54 -0.28 0.00 -0.15 0.00 0.00 54.97 54.14 2baz s GLU 30 Cb 0.17 0.39 -0.10 0.00 -0.44 0.00 0.00 34.13 34.15 2baz s GLU 30 CO 0.47 -0.48 1.42 -0.51 0.95 0.00 0.00 175.26 177.10 2baz s ASP 31 N -2.81 6.41 -0.04 0.83 1.11 -1.26 -3.93 116.67 116.99 2baz s ASP 31 Ca 0.10 2.91 -0.02 0.00 0.18 0.00 0.00 52.55 55.72 2baz s ASP 31 Cb -0.01 -2.66 0.03 0.00 1.07 0.00 0.00 42.92 41.35 2baz s ASP 31 CO -0.01 -0.81 0.05 -0.69 1.18 0.00 0.00 175.17 174.89 2baz s VAL 32 N -1.15 -0.05 -0.20 -1.27 1.01 0.83 -4.91 120.40 114.66 2baz s VAL 32 Ca 0.53 0.36 -0.07 0.00 0.00 0.00 0.00 61.98 62.80 2baz s VAL 32 Cb -0.44 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 2baz s VAL 32 CO 0.59 0.17 0.05 0.00 0.00 0.00 0.00 175.10 175.91 2baz s ALA 33 N 1.96 3.26 -0.07 5.51 0.00 -1.26 -0.34 121.76 130.81 2baz s ALA 33 Ca 0.03 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.13 2baz s ALA 33 Cb -0.12 -1.91 0.01 0.00 0.00 0.00 0.00 23.12 21.11 2baz s ALA 33 CO -0.03 -0.02 -0.13 0.42 0.00 0.00 0.00 175.76 176.00 2baz s ILE 34 N 0.76 1.20 0.60 0.00 1.01 -0.69 -5.00 121.20 119.07 2baz s ILE 34 Ca 0.03 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 60.07 2baz s ILE 34 Cb -0.14 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 2baz s ILE 34 CO 0.02 0.37 1.00 -0.54 0.00 0.00 0.00 174.94 175.79 2baz s LYS 35 N 0.73 3.60 0.27 2.79 1.02 -1.26 -0.08 119.74 126.81 2baz s LYS 35 Ca -0.13 0.68 -0.29 0.00 0.02 0.00 0.00 55.97 56.25 2baz s LYS 35 Cb -0.16 -2.12 -0.14 0.00 -0.52 0.00 0.00 37.83 34.89 2baz s LYS 35 CO 0.03 -0.51 1.11 1.17 -0.92 0.00 0.00 175.35 176.23 2baz n LYS 36 N -2.65 1.49 -2.99 1.68 4.81 -1.25 -2.17 118.16 117.08 2baz n LYS 36 Ca 0.05 0.52 -0.19 0.00 -0.87 0.00 0.00 58.31 57.82 2baz n LYS 36 Cb 0.54 -1.97 0.00 0.00 0.02 0.00 0.00 35.03 33.62 2baz n LYS 36 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2baz n ASP 37 N 1.41 -4.18 -4.42 3.14 8.00 0.54 -4.90 116.55 116.14 2baz n ASP 37 Ca 0.10 -0.17 -0.21 0.00 0.71 0.00 0.00 54.79 55.22 2baz n ASP 37 Cb 0.31 -3.47 -0.10 0.00 -0.02 0.00 0.00 41.12 37.84 2baz n ASP 37 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2baz s GLU 38 N -5.63 1.53 0.18 -1.24 2.02 -0.92 -4.96 118.70 109.68 2baz s GLU 38 Ca 0.25 -1.75 0.07 0.00 0.02 0.00 0.00 54.97 53.55 2baz s GLU 38 Cb -0.13 -1.24 -0.04 0.00 0.10 0.00 0.00 34.13 32.82 2baz s GLU 38 CO 0.30 0.11 0.05 0.12 0.02 0.00 0.00 175.26 175.86 2baz s PHE 39 N -2.93 2.95 -0.28 1.61 5.36 -1.26 -2.17 117.98 121.26 2baz s PHE 39 Ca 0.28 -0.10 -0.15 0.00 -0.96 0.00 0.00 56.93 56.00 2baz s PHE 39 Cb 0.02 -1.41 0.10 0.00 -0.34 0.00 0.00 43.02 41.38 2baz s PHE 39 CO 0.11 0.52 0.72 0.15 -1.46 0.00 0.00 175.22 175.27 2baz s LYS 40 N -3.08 0.64 -0.54 10.12 -0.14 -0.37 -5.01 119.74 121.37 2baz s LYS 40 Ca 0.29 1.19 -0.26 0.00 -1.36 0.00 0.00 55.97 55.83 2baz s LYS 40 Cb -0.09 0.26 0.04 0.00 -1.68 0.00 0.00 37.83 36.35 2baz s LYS 40 CO 0.20 -0.15 1.01 -0.51 -0.76 0.00 0.00 175.35 175.15 2baz s LEU 41 N 1.82 3.90 -0.36 3.17 1.43 -1.26 -1.11 118.68 126.27 2baz s LEU 41 Ca -0.09 -0.13 -0.26 0.00 -1.03 0.00 0.00 54.13 52.62 2baz s LEU 41 Cb -0.06 -3.00 0.02 0.00 0.03 0.00 0.00 46.19 43.18 2baz s LEU 41 CO -0.19 -1.26 0.95 -0.69 0.23 0.00 0.00 176.35 175.39 2baz s VAL 42 N 4.19 4.56 0.38 -1.59 1.01 -0.35 -4.86 120.40 123.74 2baz s VAL 42 Ca 0.35 1.28 -0.26 0.00 0.00 0.00 0.00 61.98 63.35 2baz s VAL 42 Cb -0.11 -4.35 -0.09 0.00 0.00 0.00 0.00 36.38 31.83 2baz s VAL 42 CO 0.22 -0.54 1.22 -2.16 0.00 0.00 0.00 175.10 173.84 2baz s PRO 43 N 3.53 4.14 0.00 2.72 0.04 -1.26 -0.47 135.00 143.70 2baz s PRO 43 Ca 0.39 1.98 0.17 0.00 0.04 0.00 0.00 61.00 63.58 2baz s PRO 43 Cb -0.12 -2.81 0.12 0.00 0.04 0.00 0.00 34.50 31.73 2baz s PRO 43 CO 0.18 -0.29 1.03 1.28 0.04 0.00 0.00 177.00 179.25 2baz n LEU 44 N 0.32 2.36 -1.53 -3.56 4.77 -0.78 -0.34 117.00 118.24 2baz n LEU 44 Ca 0.03 -0.98 -0.19 0.00 -0.03 0.00 0.00 56.01 54.84 2baz n LEU 44 Cb 0.45 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 2baz n LEU 44 CO 0.54 0.42 -0.19 0.61 -1.33 0.00 0.00 177.39 177.44 2baz n GLY 45 N 0.99 1.62 3.13 -0.72 0.00 -1.26 -4.45 105.19 104.50 2baz n GLY 45 Ca 0.10 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2baz n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2baz s VAL 46 N -2.73 0.78 -0.03 1.61 -7.23 -1.26 -1.86 120.40 109.69 2baz s VAL 46 Ca 0.00 -1.39 -0.01 0.00 -1.81 0.00 0.00 61.98 58.77 2baz s VAL 46 Cb 0.00 -1.04 0.02 0.00 0.56 0.00 0.00 36.38 35.92 2baz s VAL 46 CO 0.00 -0.47 0.05 0.00 -0.31 0.00 0.00 175.10 174.37 2baz s ALA 47 N -1.95 -0.02 0.10 1.32 0.00 -0.63 -0.43 121.76 120.16 2baz s ALA 47 Ca -0.01 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.29 2baz s ALA 47 Cb -0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2baz s ALA 47 CO 0.00 -0.09 -0.10 -1.64 0.00 0.00 0.00 175.76 173.93 2baz s MET 48 N 0.80 0.88 -0.42 0.00 -1.94 -1.26 -0.11 119.30 117.23 2baz s MET 48 Ca -0.06 -1.21 -0.03 0.00 -1.71 0.00 0.00 55.69 52.68 2baz s MET 48 Cb -0.09 -0.54 0.11 0.00 2.01 0.00 0.00 34.83 36.32 2baz s MET 48 CO -0.03 0.08 0.22 -2.00 -0.01 0.00 0.00 175.02 173.28 2baz s GLU 49 N -2.96 2.03 0.83 2.03 2.12 -0.31 -4.33 118.70 118.11 2baz s GLU 49 Ca 0.07 -1.89 -0.11 0.00 0.36 0.00 0.00 54.97 53.41 2baz s GLU 49 Cb -0.02 -3.58 0.09 0.00 0.26 0.00 0.00 34.13 30.88 2baz s GLU 49 CO -0.00 -1.08 1.10 -0.51 -0.54 0.00 0.00 175.26 174.23 2baz s LEU 50 N 1.02 2.78 0.64 2.70 1.43 -1.26 -3.33 118.68 122.66 2baz s LEU 50 Ca 0.09 1.78 -0.18 0.00 -1.03 0.00 0.00 54.13 54.80 2baz s LEU 50 Cb -0.22 -4.36 -0.01 0.00 0.03 0.00 0.00 46.19 41.62 2baz s LEU 50 CO -0.04 -2.35 1.24 -2.84 0.23 0.00 0.00 176.35 172.59 2baz s PRO 51 N -4.87 2.68 0.27 1.29 0.02 -1.26 -4.91 135.00 128.22 2baz s PRO 51 Ca 0.62 1.92 -0.30 0.00 0.02 0.00 0.00 61.00 63.26 2baz s PRO 51 Cb -0.18 -1.88 -0.11 0.00 0.02 0.00 0.00 34.50 32.35 2baz s PRO 51 CO 0.57 -1.46 1.60 -1.83 -0.33 0.00 0.00 177.00 175.55 2baz s GLU 52 N -3.43 4.14 0.00 5.54 1.03 -1.26 -1.82 118.70 122.89 2baz s GLU 52 Ca 0.79 2.55 0.00 0.00 0.03 0.00 0.00 54.97 58.34 2baz s GLU 52 Cb -0.33 -3.04 0.00 0.00 -0.80 0.00 0.00 34.13 29.96 2baz s GLU 52 CO 0.38 -0.63 0.00 0.41 -1.33 0.00 0.00 175.26 174.08 2baz n GLY 53 N 2.48 0.79 3.70 -3.83 0.00 -1.26 -5.04 105.19 102.03 2baz n GLY 53 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 2baz n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2baz s TYR 54 N -2.98 2.57 0.14 1.61 1.51 -0.76 -0.50 117.35 118.94 2baz s TYR 54 Ca 0.00 -0.62 -0.10 0.00 -1.01 0.00 0.00 57.07 55.34 2baz s TYR 54 Cb 0.00 -1.89 -0.00 0.00 -0.11 0.00 0.00 41.96 39.95 2baz s TYR 54 CO 0.00 0.28 0.28 -1.83 -1.11 0.00 0.00 175.55 173.16 2baz s GLU 55 N -3.84 1.07 0.09 -0.62 -1.05 -0.55 -3.05 118.70 110.76 2baz s GLU 55 Ca 0.39 -1.07 0.10 0.00 -0.15 0.00 0.00 54.97 54.24 2baz s GLU 55 Cb 0.06 0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 34.10 2baz s GLU 55 CO 0.21 -0.38 -0.24 0.00 0.95 0.00 0.00 175.26 175.79 2baz s ALA 56 N -3.92 2.42 -0.04 -0.84 0.00 0.50 -1.28 121.76 118.60 2baz s ALA 56 Ca 0.12 -1.35 0.05 0.00 0.00 0.00 0.00 51.96 50.79 2baz s ALA 56 Cb 0.03 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 2baz s ALA 56 CO -0.04 0.55 -0.19 -1.01 0.00 0.00 0.00 175.76 175.07 2baz s HIS 57 N -0.97 2.56 -0.10 0.00 3.76 -0.38 -0.50 115.29 119.66 2baz s HIS 57 Ca 0.14 -0.30 0.02 0.00 -0.15 0.00 0.00 55.06 54.77 2baz s HIS 57 Cb -0.10 -1.59 0.02 0.00 1.11 0.00 0.00 32.58 32.01 2baz s HIS 57 CO 0.05 0.08 -0.13 0.08 -0.85 0.00 0.00 174.74 173.97 2baz s VAL 58 N -0.63 1.32 0.10 -0.90 1.01 -0.06 -2.48 120.40 118.76 2baz s VAL 58 Ca 0.10 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.55 2baz s VAL 58 Cb -0.11 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2baz s VAL 58 CO 0.00 0.40 -0.06 0.68 0.00 0.00 0.00 175.10 176.12 2baz s VAL 59 N 0.99 0.70 0.81 2.92 -7.23 -0.69 -0.84 120.40 117.06 2baz s VAL 59 Ca -0.07 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.05 2baz s VAL 59 Cb -0.15 -1.72 0.08 0.00 0.56 0.00 0.00 36.38 35.15 2baz s VAL 59 CO -0.01 -0.84 1.09 -2.16 -0.31 0.00 0.00 175.10 172.87 2baz s PRO 60 N -3.84 1.95 0.66 4.82 0.04 -1.26 -0.83 135.00 136.54 2baz s PRO 60 Ca 0.13 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.17 2baz s PRO 60 Cb 0.05 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.71 2baz s PRO 60 CO -0.04 -1.84 1.05 1.03 0.04 0.00 0.00 177.00 177.23 2baz s ARG 61 N -4.90 3.21 0.51 4.56 0.52 -1.25 -4.66 118.95 116.94 2baz s ARG 61 Ca 0.62 0.87 0.17 0.00 -0.52 0.00 0.00 55.73 56.87 2baz s ARG 61 Cb -0.18 -2.03 1.28 0.00 0.52 0.00 0.00 34.95 34.55 2baz s ARG 61 CO 0.56 -0.88 2.13 0.66 0.02 0.00 0.00 175.30 177.79 2baz h SER 62 N -0.56 0.00 -0.30 0.23 4.64 -1.97 -2.06 113.55 113.53 2baz h SER 62 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2baz h SER 62 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2baz h SER 62 CO 0.59 0.04 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 2baz n SER 63 N -4.41 2.55 -0.16 4.97 3.41 -1.26 -4.49 113.62 114.24 2baz n SER 63 Ca -0.03 -1.87 -0.07 0.00 -0.26 0.00 0.00 58.87 56.64 2baz n SER 63 Cb 0.12 -0.19 0.01 0.00 -0.26 0.00 0.00 64.21 63.89 2baz n SER 63 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2baz h THR 64 N 3.27 1.12 -0.20 6.66 2.02 -1.72 -2.03 112.91 122.05 2baz h THR 64 Ca 0.00 -0.23 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 2baz h THR 64 Cb 0.72 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2baz h THR 64 CO 0.00 0.12 -0.15 0.22 0.37 0.00 0.00 175.52 176.08 2baz h TYR 65 N 0.64 0.53 -0.58 3.16 5.03 -1.79 -0.02 116.97 123.94 2baz h TYR 65 Ca 0.17 -0.15 0.09 0.00 2.58 0.00 0.00 58.73 61.43 2baz h TYR 65 Cb -0.07 -0.12 -0.07 0.00 1.55 0.00 0.00 36.73 38.03 2baz h TYR 65 CO -0.04 0.78 0.19 -0.22 -1.32 0.00 0.00 178.16 177.55 2baz h LYS 66 N 0.13 0.34 0.07 1.82 3.64 -1.83 0.36 116.57 121.11 2baz h LYS 66 Ca 0.04 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.21 2baz h LYS 66 Cb 0.67 -0.08 0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2baz h LYS 66 CO 0.04 0.23 -0.78 -0.91 -2.27 0.00 0.00 179.45 175.76 2baz h ASN 67 N 0.36 0.57 -0.00 4.20 -0.26 -1.34 -3.40 115.58 115.69 2baz h ASN 67 Ca 0.29 -0.84 0.00 0.00 -0.56 0.00 0.00 56.30 55.20 2baz h ASN 67 Cb 0.37 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 2baz h ASN 67 CO -0.32 1.34 -0.08 0.49 -1.06 0.00 0.00 177.43 177.81 2baz n PHE 68 N -4.12 0.00 -2.16 1.19 3.72 -0.03 -5.00 117.46 111.06 2baz n PHE 68 Ca -0.12 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.09 2baz n PHE 68 Cb 0.77 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.29 2baz n PHE 68 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2baz n GLY 69 N 0.58 0.11 3.44 1.37 0.00 0.13 -4.72 105.19 106.10 2baz n GLY 69 Ca 0.03 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 2baz n GLY 69 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2baz s VAL 70 N -2.87 2.32 0.20 1.61 -7.23 -1.26 -1.21 120.40 111.96 2baz s VAL 70 Ca 0.00 -2.27 0.08 0.00 -1.81 0.00 0.00 61.98 57.99 2baz s VAL 70 Cb 0.00 -2.20 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 2baz s VAL 70 CO 0.00 -0.35 -0.16 0.27 -0.31 0.00 0.00 175.10 174.55 2baz s ILE 71 N -2.33 1.85 -0.33 -0.62 -4.36 -0.57 -4.20 121.20 110.63 2baz s ILE 71 Ca 0.26 -2.13 -0.21 0.00 -0.26 0.00 0.00 60.65 58.31 2baz s ILE 71 Cb -0.05 -2.00 -0.00 0.00 1.25 0.00 0.00 42.46 41.65 2baz s ILE 71 CO 0.12 -0.48 0.64 -1.58 0.24 0.00 0.00 174.94 173.89 2baz s GLN 72 N -3.33 3.80 0.52 0.37 0.74 -1.26 -1.57 119.66 118.93 2baz s GLN 72 Ca 0.21 0.21 0.19 0.00 0.05 0.00 0.00 55.36 56.02 2baz s GLN 72 Cb -0.03 -3.76 1.30 0.00 1.10 0.00 0.00 33.01 31.62 2baz s GLN 72 CO 0.08 -0.65 2.09 1.79 -0.55 0.00 0.00 175.29 178.04 2baz h THR 73 N 5.61 0.91 -0.35 -0.34 1.35 -1.68 -1.07 112.91 117.33 2baz h THR 73 Ca -0.26 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 2baz h THR 73 Cb 1.11 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2baz h THR 73 CO 0.82 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.64 2baz n ASN 74 N -4.48 2.27 0.00 5.36 0.23 -1.26 -4.96 115.26 112.41 2baz n ASN 74 Ca 0.02 -1.91 0.00 0.00 -0.53 0.00 0.00 54.58 52.16 2baz n ASN 74 Cb 0.28 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 2baz n ASN 74 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2baz n SER 75 N 0.72 0.00 -3.81 0.53 7.64 -0.41 -4.49 113.62 113.81 2baz n SER 75 Ca 0.16 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.82 2baz n SER 75 Cb 0.38 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.41 2baz n SER 75 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2baz s MET 76 N 0.00 0.68 0.31 1.43 -2.45 -1.26 -4.72 119.30 113.30 2baz s MET 76 Ca 0.00 0.04 -0.22 0.00 -1.25 0.00 0.00 55.69 54.26 2baz s MET 76 Cb 0.00 -0.94 -0.09 0.00 1.25 0.00 0.00 34.83 35.05 2baz s MET 76 CO 0.00 -0.24 0.85 0.20 1.05 0.00 0.00 175.02 176.89 2baz s GLY 77 N 1.65 2.61 -0.18 2.11 0.00 -0.02 -4.85 107.32 108.63 2baz s GLY 77 Ca 0.00 0.33 0.01 0.00 0.00 0.00 0.00 44.72 45.06 2baz s GLY 77 CO -0.04 0.69 -0.14 0.14 0.00 0.00 0.00 173.10 173.75 2baz s VAL 78 N -1.74 1.77 -0.26 1.40 1.01 -1.26 -0.88 120.40 120.44 2baz s VAL 78 Ca 0.51 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 2baz s VAL 78 Cb -0.15 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 2baz s VAL 78 CO 0.20 0.36 0.03 -0.63 0.00 0.00 0.00 175.10 175.06 2baz s ILE 79 N 1.38 3.76 0.45 2.22 -1.09 0.34 -4.95 121.20 123.30 2baz s ILE 79 Ca 0.02 -0.55 -0.12 0.00 -2.23 0.00 0.00 60.65 57.78 2baz s ILE 79 Cb -0.14 -2.83 -0.06 0.00 -1.58 0.00 0.00 42.46 37.85 2baz s ILE 79 CO -0.10 0.26 0.84 -0.62 -1.23 0.00 0.00 174.94 174.08 2baz s ASP 80 N 1.50 6.52 0.52 3.58 2.15 -1.26 -0.37 116.67 129.31 2baz s ASP 80 Ca 0.04 1.24 0.24 0.00 0.43 0.00 0.00 52.55 54.50 2baz s ASP 80 Cb -0.16 -2.37 1.36 0.00 -0.30 0.00 0.00 42.92 41.45 2baz s ASP 80 CO 0.00 -0.48 2.00 1.05 -0.17 0.00 0.00 175.17 177.57 2baz h GLU 81 N 1.03 0.04 0.00 4.34 4.11 -1.87 0.08 114.58 122.30 2baz h GLU 81 Ca -0.47 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.95 2baz h GLU 81 Cb 1.19 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2baz h GLU 81 CO 0.63 0.02 -0.02 0.66 0.07 0.00 0.00 179.01 180.37 2baz h SER 82 N 0.04 0.00 -0.03 3.06 4.64 -1.92 -3.35 113.55 115.98 2baz h SER 82 Ca 0.24 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.86 2baz h SER 82 Cb 0.93 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.98 2baz h SER 82 CO -0.01 0.02 3.08 0.00 -0.87 0.00 0.00 176.83 179.05 2baz n TYR 83 N -3.13 3.53 -1.63 4.77 9.36 0.01 -4.42 117.16 125.66 2baz n TYR 83 Ca 0.01 -2.94 0.05 0.00 3.32 0.00 0.00 57.90 58.34 2baz n TYR 83 Cb 0.33 -2.54 0.08 0.00 -0.63 0.00 0.00 39.34 36.58 2baz n TYR 83 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 2baz n LYS 84 N 6.22 0.70 -1.40 2.98 2.85 -1.26 -4.69 118.16 123.56 2baz n LYS 84 Ca 0.52 -2.01 -0.29 0.00 -1.05 0.00 0.00 58.31 55.48 2baz n LYS 84 Cb 0.39 -0.98 0.14 0.00 -0.65 0.00 0.00 35.03 33.93 2baz n LYS 84 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2baz s GLY 85 N -2.12 1.59 0.35 2.58 0.00 -1.26 -4.81 107.32 103.65 2baz s GLY 85 Ca 0.21 -0.37 0.27 0.00 0.00 0.00 0.00 44.72 44.82 2baz s GLY 85 CO -0.01 0.17 1.80 -1.80 0.00 0.00 0.00 173.10 173.25 2baz h ASP 86 N -1.54 0.00 0.00 1.64 -0.00 -1.99 -2.76 116.42 111.77 2baz h ASP 86 Ca -0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 56.52 2baz h ASP 86 Cb 1.31 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.64 2baz h ASP 86 CO 0.59 0.00 -0.12 0.59 -0.00 0.00 0.00 179.24 180.31 2baz n ASN 87 N -2.46 2.06 -3.75 2.28 4.13 -1.26 -4.87 115.26 111.39 2baz n ASN 87 Ca 0.01 -3.09 -0.42 0.00 1.68 0.00 0.00 54.58 52.76 2baz n ASN 87 Cb 0.20 -0.42 0.00 0.00 -1.54 0.00 0.00 39.78 38.03 2baz n ASN 87 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2baz n ASP 88 N -1.26 6.51 -4.81 6.41 10.43 -1.04 -5.00 116.55 127.79 2baz n ASP 88 Ca 0.15 -3.25 -0.33 0.00 2.57 0.00 0.00 54.79 53.93 2baz n ASP 88 Cb 0.66 -1.37 -0.03 0.00 1.84 0.00 0.00 41.12 42.22 2baz n ASP 88 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 2baz s PHE 89 N -1.26 3.16 0.35 1.24 0.40 -1.26 -4.51 117.98 116.09 2baz s PHE 89 Ca 0.42 1.54 -0.13 0.00 -0.60 0.00 0.00 56.93 58.17 2baz s PHE 89 Cb 0.13 -2.95 -0.08 0.00 0.51 0.00 0.00 43.02 40.63 2baz s PHE 89 CO -0.02 -0.65 0.73 -1.58 0.70 0.00 0.00 175.22 174.41 2baz s TRP 90 N -2.27 3.41 0.05 0.36 0.52 0.43 -4.98 118.94 116.46 2baz s TRP 90 Ca 0.64 1.13 -0.00 0.00 0.02 0.00 0.00 56.10 57.88 2baz s TRP 90 Cb -0.13 -2.48 -0.04 0.00 -1.15 0.00 0.00 33.47 29.67 2baz s TRP 90 CO 0.25 0.03 -0.04 -0.06 0.02 0.00 0.00 176.95 177.15 2baz s PHE 91 N -2.11 0.54 -0.30 -1.98 0.40 -1.26 -1.87 117.98 111.39 2baz s PHE 91 Ca 0.53 -0.90 0.01 0.00 -0.60 0.00 0.00 56.93 55.97 2baz s PHE 91 Cb -0.10 -0.37 0.07 0.00 0.51 0.00 0.00 43.02 43.12 2baz s PHE 91 CO 0.23 -0.28 -0.02 0.12 0.70 0.00 0.00 175.22 175.97 2baz s PHE 92 N -3.20 3.38 -0.64 0.36 2.19 0.38 -4.93 117.98 115.52 2baz s PHE 92 Ca 0.02 -2.30 -0.26 0.00 0.33 0.00 0.00 56.93 54.72 2baz s PHE 92 Cb 0.03 -2.29 -0.02 0.00 -1.31 0.00 0.00 43.02 39.43 2baz s PHE 92 CO -0.07 -0.88 1.84 -1.25 1.83 0.00 0.00 175.22 176.70 2baz s PRO 93 N 1.12 2.65 -0.15 10.12 0.04 -1.26 -1.21 135.00 146.30 2baz s PRO 93 Ca -0.03 0.50 -0.07 0.00 0.04 0.00 0.00 61.00 61.44 2baz s PRO 93 Cb -0.20 -4.43 -0.04 0.00 0.04 0.00 0.00 34.50 29.86 2baz s PRO 93 CO -0.04 -2.76 0.11 0.00 0.04 0.00 0.00 177.00 174.35 2baz s ALA 94 N 9.00 3.66 -0.17 8.56 0.00 -0.27 -1.69 121.76 140.86 2baz s ALA 94 Ca 0.66 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.94 2baz s ALA 94 Cb -0.12 -1.97 0.02 0.00 0.00 0.00 0.00 23.12 21.05 2baz s ALA 94 CO 0.19 0.38 -0.19 -0.47 0.00 0.00 0.00 175.76 175.67 2baz s TYR 95 N -0.29 2.64 -0.10 0.00 6.14 -0.61 -1.24 117.35 123.91 2baz s TYR 95 Ca 0.10 -1.52 -0.18 0.00 0.64 0.00 0.00 57.07 56.12 2baz s TYR 95 Cb -0.12 -1.84 -0.05 0.00 0.42 0.00 0.00 41.96 40.38 2baz s TYR 95 CO 0.01 -0.75 0.46 0.00 0.64 0.00 0.00 175.55 175.91 2baz s ALA 96 N 1.25 3.51 -2.31 3.97 0.00 -0.92 -1.52 121.76 125.74 2baz s ALA 96 Ca 0.03 -0.20 0.21 0.00 0.00 0.00 0.00 51.96 52.00 2baz s ALA 96 Cb -0.13 -2.60 0.58 0.00 0.00 0.00 0.00 23.12 20.96 2baz s ALA 96 CO -0.11 0.08 1.46 1.28 0.00 0.00 0.00 175.76 178.48 2baz n LEU 97 N 3.35 2.44 -3.59 0.00 7.99 -0.35 -0.34 117.00 126.51 2baz n LEU 97 Ca -0.08 -1.06 -0.07 0.00 -0.01 0.00 0.00 56.01 54.78 2baz n LEU 97 Cb 0.52 -0.19 -0.02 0.00 -0.11 0.00 0.00 43.42 43.62 2baz n LEU 97 CO 0.42 0.53 0.63 0.00 -1.51 0.00 0.00 177.39 177.46 2baz s ARG 98 N -1.63 1.09 0.25 3.23 1.70 -1.26 -4.60 118.95 117.74 2baz s ARG 98 Ca 0.34 -0.49 -0.31 0.00 -0.47 0.00 0.00 55.73 54.80 2baz s ARG 98 Cb 0.19 0.44 -0.11 0.00 -0.57 0.00 0.00 34.95 34.91 2baz s ARG 98 CO 0.27 -0.49 1.58 -0.51 -1.08 0.00 0.00 175.30 175.08 2baz s ASP 99 N -2.70 6.46 0.36 -2.89 1.01 -1.26 -3.79 116.67 113.86 2baz s ASP 99 Ca 0.07 2.83 -0.06 0.00 0.71 0.00 0.00 52.55 56.10 2baz s ASP 99 Cb -0.02 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.31 2baz s ASP 99 CO -0.05 -0.87 0.56 0.28 0.21 0.00 0.00 175.17 175.30 2baz s THR 100 N 0.39 0.00 -0.22 -1.27 -1.32 0.89 -4.90 115.64 109.20 2baz s THR 100 Ca 0.66 -1.45 -0.10 0.00 -1.21 0.00 0.00 61.69 59.59 2baz s THR 100 Cb -0.46 -2.70 0.09 0.00 -1.51 0.00 0.00 72.50 67.91 2baz s THR 100 CO 0.42 0.00 0.50 -0.75 -2.21 0.00 0.00 174.62 172.58 2baz s LYS 101 N -2.85 0.46 -0.21 7.08 2.20 -1.26 -1.70 119.74 123.45 2baz s LYS 101 Ca 0.27 1.07 -0.08 0.00 -0.36 0.00 0.00 55.97 56.87 2baz s LYS 101 Cb -0.02 0.28 -0.04 0.00 -1.51 0.00 0.00 37.83 36.55 2baz s LYS 101 CO 0.18 -0.20 0.07 0.42 -0.36 0.00 0.00 175.35 175.47 2baz s ILE 102 N 2.12 4.66 0.25 5.43 1.01 0.54 -4.95 121.20 130.26 2baz s ILE 102 Ca -0.06 -0.07 -0.17 0.00 0.00 0.00 0.00 60.65 60.35 2baz s ILE 102 Cb -0.10 -3.14 -0.08 0.00 0.01 0.00 0.00 42.46 39.16 2baz s ILE 102 CO -0.15 0.40 0.70 -0.54 0.00 0.00 0.00 174.94 175.35 2baz s LYS 103 N 0.89 4.10 0.20 2.79 1.02 -1.26 -0.12 119.74 127.36 2baz s LYS 103 Ca 0.04 0.72 -0.32 0.00 0.02 0.00 0.00 55.97 56.43 2baz s LYS 103 Cb -0.14 -2.70 -0.15 0.00 -0.52 0.00 0.00 37.83 34.33 2baz s LYS 103 CO 0.03 0.31 1.32 1.17 -0.92 0.00 0.00 175.35 177.25 2baz n LYS 104 N 0.27 1.65 -0.08 1.68 4.81 -1.25 -0.78 118.16 124.45 2baz n LYS 104 Ca -0.00 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 2baz n LYS 104 Cb 0.52 -2.19 0.00 0.00 0.02 0.00 0.00 35.03 33.38 2baz n LYS 104 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2baz n GLY 105 N 2.21 1.94 3.74 3.14 0.00 -0.02 -4.95 105.19 111.26 2baz n GLY 105 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2baz n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2baz s ASP 106 N -3.35 7.01 0.07 1.61 1.01 0.04 -4.73 116.67 118.33 2baz s ASP 106 Ca 0.00 2.30 -0.31 0.00 0.71 0.00 0.00 52.55 55.25 2baz s ASP 106 Cb 0.00 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.25 2baz s ASP 106 CO 0.00 -0.44 1.49 -0.13 0.21 0.00 0.00 175.17 176.31 2baz s ARG 107 N -0.17 4.26 0.00 8.23 0.52 -1.26 -1.73 118.95 128.80 2baz s ARG 107 Ca 0.54 2.15 0.00 0.00 -0.52 0.00 0.00 55.73 57.90 2baz s ARG 107 Cb -0.34 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 31.68 2baz s ARG 107 CO 0.37 -0.59 0.00 1.51 0.02 0.00 0.00 175.30 176.61 2baz n ILE 108 N 4.42 0.00 -3.81 1.52 3.06 -0.51 -4.94 119.36 119.11 2baz n ILE 108 Ca 0.14 -0.13 -0.09 0.00 -2.50 0.00 0.00 62.75 60.16 2baz n ILE 108 Cb 0.42 0.61 0.02 0.00 0.54 0.00 0.00 39.64 41.23 2baz n ILE 108 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2baz s GLN 110 N -2.15 0.75 0.18 0.00 -2.07 -0.01 -0.81 119.66 115.55 2baz s GLN 110 Ca 0.17 -0.60 0.00 0.00 -1.82 0.00 0.00 55.36 53.11 2baz s GLN 110 Cb -0.05 0.32 -0.04 0.00 -1.09 0.00 0.00 33.01 32.15 2baz s GLN 110 CO 0.13 -0.23 0.06 -0.59 -1.32 0.00 0.00 175.29 173.34 2baz s PHE 111 N -2.66 1.14 0.20 9.60 -0.12 0.22 -1.71 117.98 124.65 2baz s PHE 111 Ca -0.04 -1.19 -0.16 0.00 -0.05 0.00 0.00 56.93 55.49 2baz s PHE 111 Cb -0.01 -0.63 0.02 0.00 -0.63 0.00 0.00 43.02 41.77 2baz s PHE 111 CO -0.04 -0.42 0.49 -0.98 -0.05 0.00 0.00 175.22 174.22 2baz s ARG 112 N -4.03 1.37 0.29 1.99 1.70 -1.03 -0.26 118.95 118.98 2baz s ARG 112 Ca 0.29 -0.94 0.09 0.00 -0.47 0.00 0.00 55.73 54.70 2baz s ARG 112 Cb 0.07 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.91 2baz s ARG 112 CO 0.06 -0.57 0.08 0.96 -1.08 0.00 0.00 175.30 174.75 2baz s ILE 113 N -3.90 3.43 -0.06 4.99 -4.36 -1.26 -1.25 121.20 118.78 2baz s ILE 113 Ca 0.11 -1.76 -0.23 0.00 -0.26 0.00 0.00 60.65 58.52 2baz s ILE 113 Cb -0.01 -2.97 0.05 0.00 1.25 0.00 0.00 42.46 40.78 2baz s ILE 113 CO -0.01 -0.30 0.52 -0.32 0.24 0.00 0.00 174.94 175.07 2baz s MET 114 N -3.76 0.84 0.39 0.37 1.75 -0.40 -4.96 119.30 113.52 2baz s MET 114 Ca 0.34 0.18 -0.27 0.00 -1.25 0.00 0.00 55.69 54.69 2baz s MET 114 Cb -0.05 0.39 -0.10 0.00 2.84 0.00 0.00 34.83 37.91 2baz s MET 114 CO 0.22 -0.23 1.39 0.21 -0.65 0.00 0.00 175.02 175.95 2baz s LYS 115 N -0.98 4.06 0.95 4.11 2.20 -1.26 -1.48 119.74 127.33 2baz s LYS 115 Ca -0.10 2.36 -0.12 0.00 -0.36 0.00 0.00 55.97 57.75 2baz s LYS 115 Cb -0.03 -2.88 0.16 0.00 -1.51 0.00 0.00 37.83 33.57 2baz s LYS 115 CO 0.06 -0.49 1.09 0.15 -0.36 0.00 0.00 175.35 175.80 2baz s LYS 116 N -2.12 0.81 0.43 4.03 1.02 0.35 -4.82 119.74 119.43 2baz s LYS 116 Ca 0.54 0.77 -0.26 0.00 0.02 0.00 0.00 55.97 57.04 2baz s LYS 116 Cb -0.42 -1.76 -0.09 0.00 -0.52 0.00 0.00 37.83 35.03 2baz s LYS 116 CO 0.56 -2.54 1.42 -0.12 -0.92 0.00 0.00 175.35 173.76 2baz n MET 117 N -4.08 2.32 -0.92 1.68 0.00 -1.26 -5.00 117.12 109.87 2baz n MET 117 Ca 0.06 0.82 -0.29 0.00 -0.00 0.00 0.00 57.70 58.30 2baz n MET 117 Cb 0.56 -2.60 0.22 0.00 0.00 0.00 0.00 33.22 31.39 2baz n MET 117 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 2baz s PRO 118 N -2.31 -0.39 0.16 2.12 0.02 -1.26 -4.96 135.00 128.39 2baz s PRO 118 Ca 0.59 0.54 -0.30 0.00 0.02 0.00 0.00 61.00 61.84 2baz s PRO 118 Cb -0.47 -1.64 -0.08 0.00 0.02 0.00 0.00 34.50 32.33 2baz s PRO 118 CO 0.59 -3.29 1.25 0.00 -0.33 0.00 0.00 177.00 175.23 2baz s ALA 119 N -2.77 3.47 0.02 -1.55 0.00 -1.26 -5.00 121.76 114.67 2baz s ALA 119 Ca 0.67 1.00 -0.03 0.00 0.00 0.00 0.00 51.96 53.60 2baz s ALA 119 Cb -0.20 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 2baz s ALA 119 CO 0.60 -0.46 0.03 0.14 0.00 0.00 0.00 175.76 176.08 2baz s VAL 120 N 0.31 0.11 -0.03 0.00 -7.23 -1.26 -5.16 120.40 107.13 2baz s VAL 120 Ca 0.56 -0.90 0.05 0.00 -1.81 0.00 0.00 61.98 59.88 2baz s VAL 120 Cb -0.34 -0.43 -0.02 0.00 0.56 0.00 0.00 36.38 36.15 2baz s VAL 120 CO 0.35 -0.50 -0.18 -1.81 -0.31 0.00 0.00 175.10 172.66 2baz s ASP 121 N -1.57 3.74 -0.36 4.85 1.01 -1.26 -5.09 116.67 117.99 2baz s ASP 121 Ca -0.14 -0.29 -0.12 0.00 0.71 0.00 0.00 52.55 52.72 2baz s ASP 121 Cb -0.08 -0.69 0.01 0.00 1.01 0.00 0.00 42.92 43.17 2baz s ASP 121 CO -0.01 0.33 0.22 -0.22 0.21 0.00 0.00 175.17 175.71 2baz s LEU 122 N -0.75 4.62 -0.32 1.23 2.96 -1.26 -5.05 118.68 120.12 2baz s LEU 122 Ca 0.11 -0.73 -0.08 0.00 -0.22 0.00 0.00 54.13 53.22 2baz s LEU 122 Cb -0.10 -2.08 0.02 0.00 0.50 0.00 0.00 46.19 44.52 2baz s LEU 122 CO 0.00 -0.32 0.11 0.27 -1.32 0.00 0.00 176.35 175.10 2baz s ILE 123 N 1.64 4.09 0.19 6.68 -4.36 -1.26 -5.08 121.20 123.09 2baz s ILE 123 Ca 0.04 -0.77 -0.30 0.00 -0.26 0.00 0.00 60.65 59.36 2baz s ILE 123 Cb -0.18 -3.17 -0.08 0.00 1.25 0.00 0.00 42.46 40.28 2baz s ILE 123 CO 0.08 -0.02 1.16 -0.70 0.24 0.00 0.00 174.94 175.70 2baz s GLU 124 N 1.50 4.53 0.06 0.37 2.12 -1.26 -5.04 118.70 120.98 2baz s GLU 124 Ca 0.02 1.82 0.01 0.00 0.36 0.00 0.00 54.97 57.18 2baz s GLU 124 Cb -0.18 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 2baz s GLU 124 CO 0.04 -0.02 -0.05 0.14 -0.54 0.00 0.00 175.26 174.82 2baz s VAL 125 N -0.16 0.46 0.06 3.70 -7.23 -1.26 -5.06 120.40 110.90 2baz s VAL 125 Ca 0.51 -1.63 -0.07 0.00 -1.81 0.00 0.00 61.98 58.99 2baz s VAL 125 Cb -0.31 -1.28 -0.30 0.00 0.56 0.00 0.00 36.38 35.05 2baz s VAL 125 CO 0.36 -0.78 1.07 0.44 -0.31 0.00 0.00 175.10 175.89 2baz h ASP 126 N 3.49 0.51 -4.92 4.85 3.32 -2.09 -3.46 116.42 118.11 2baz h ASP 126 Ca -0.35 -0.56 -0.20 0.00 0.02 0.00 0.00 57.03 55.95 2baz h ASP 126 Cb 1.17 -0.17 -0.19 0.00 0.22 0.00 0.00 39.33 40.37 2baz h ASP 126 CO 0.58 1.44 -0.70 -0.13 -1.72 0.00 0.00 179.24 178.71 2baz s ARG 127 N -2.64 0.51 0.00 3.56 1.81 -1.26 -5.37 118.95 115.56 2baz s ARG 127 Ca -0.06 -0.89 0.24 0.00 -1.72 0.00 0.00 55.73 53.31 2baz s ARG 127 Cb 0.06 -0.02 0.25 0.00 -0.45 0.00 0.00 34.95 34.79 2baz s ARG 127 CO 0.89 -0.03 1.30 1.28 -0.68 0.00 0.00 175.30 178.06