#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 1.17 -0.13 0.03 -0.21 -1.26 -5.12 119.66 114.14 2baz s GLN 2 Ca 0.00 -0.87 0.01 0.00 0.02 0.00 0.00 55.36 54.52 2baz s GLN 2 Cb 0.00 -1.25 0.02 0.00 1.00 0.00 0.00 33.01 32.78 2baz s GLN 2 CO 0.00 0.31 -0.15 0.42 -2.12 0.00 0.00 175.29 173.75 2baz s ILE 3 N -0.84 1.55 -0.19 1.08 1.01 -1.26 -4.10 121.20 118.45 2baz s ILE 3 Ca 0.05 -0.65 -0.21 0.00 0.00 0.00 0.00 60.65 59.84 2baz s ILE 3 Cb -0.08 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 2baz s ILE 3 CO 0.02 0.45 0.62 -0.54 0.00 0.00 0.00 174.94 175.49 2baz s LYS 4 N 1.22 4.22 -0.05 2.79 1.02 -1.08 -4.93 119.74 122.93 2baz s LYS 4 Ca -0.01 0.61 0.06 0.00 0.02 0.00 0.00 55.97 56.65 2baz s LYS 4 Cb -0.14 -3.57 -0.02 0.00 -0.52 0.00 0.00 37.83 33.58 2baz s LYS 4 CO -0.06 -0.23 -0.22 -1.50 -0.92 0.00 0.00 175.35 172.42 2baz s ILE 5 N 1.86 2.32 -0.05 2.17 2.07 -1.26 -0.73 121.20 127.58 2baz s ILE 5 Ca 0.29 -0.99 0.05 0.00 -1.41 0.00 0.00 60.65 58.59 2baz s ILE 5 Cb -0.16 -1.85 -0.02 0.00 0.13 0.00 0.00 42.46 40.56 2baz s ILE 5 CO 0.10 0.57 -0.21 -0.75 -1.91 0.00 0.00 174.94 172.74 2baz s LYS 6 N -0.39 2.51 0.03 3.50 2.20 0.46 -4.99 119.74 123.07 2baz s LYS 6 Ca 0.03 -0.84 0.01 0.00 -0.36 0.00 0.00 55.97 54.82 2baz s LYS 6 Cb -0.12 -2.23 -0.04 0.00 -1.51 0.00 0.00 37.83 33.93 2baz s LYS 6 CO 0.02 0.47 0.08 0.71 -0.36 0.00 0.00 175.35 176.27 2baz s TYR 7 N -0.36 3.25 0.12 4.03 2.02 -1.26 -1.37 117.35 123.77 2baz s TYR 7 Ca 0.03 0.15 -0.24 0.00 -0.37 0.00 0.00 57.07 56.64 2baz s TYR 7 Cb -0.12 -1.69 -0.05 0.00 -0.40 0.00 0.00 41.96 39.69 2baz s TYR 7 CO 0.02 0.54 1.67 1.25 -1.57 0.00 0.00 175.55 177.45 2baz h LEU 8 N 3.76 -0.50 -8.45 -1.29 5.85 -1.42 -3.46 115.31 109.80 2baz h LEU 8 Ca -0.48 0.08 -0.20 0.00 0.84 0.00 0.00 57.88 58.12 2baz h LEU 8 Cb 1.17 0.21 -0.10 0.00 0.37 0.00 0.00 40.66 42.32 2baz h LEU 8 CO 0.64 -0.23 -0.28 1.51 -0.34 0.00 0.00 178.44 179.75 2baz s ASP 9 N -4.99 0.40 0.00 1.25 3.84 -1.26 -5.05 116.67 110.86 2baz s ASP 9 Ca -0.15 -1.27 0.13 0.00 -0.00 0.00 0.00 52.55 51.27 2baz s ASP 9 Cb 0.09 0.56 0.62 0.00 -1.38 0.00 0.00 42.92 42.81 2baz s ASP 9 CO 0.67 -1.12 1.40 -0.62 -0.00 0.00 0.00 175.17 175.50 2baz n GLU 10 N -0.43 0.08 0.00 2.11 4.71 -1.26 -2.73 120.64 123.11 2baz n GLU 10 Ca 0.01 0.22 0.12 0.00 -0.01 0.00 0.00 57.16 57.50 2baz n GLU 10 Cb 0.63 -1.50 0.25 0.00 -1.01 0.00 0.00 31.44 29.81 2baz n GLU 10 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2baz n THR 11 N -1.41 0.00 -2.22 2.62 -2.24 -1.26 -4.94 114.28 104.83 2baz n THR 11 Ca 0.05 -0.12 -0.40 0.00 -2.27 0.00 0.00 64.05 61.31 2baz n THR 11 Cb 0.14 0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 68.93 2baz n THR 11 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2baz s GLN 12 N -2.61 4.22 -0.17 -0.78 -1.52 -1.11 -4.97 119.66 112.73 2baz s GLN 12 Ca 0.20 2.01 -0.29 0.00 -1.95 0.00 0.00 55.36 55.33 2baz s GLN 12 Cb 0.18 -2.89 -0.01 0.00 -0.22 0.00 0.00 33.01 30.07 2baz s GLN 12 CO 0.58 -0.23 1.16 0.99 -0.25 0.00 0.00 175.29 177.55 2baz s THR 13 N -1.26 4.45 0.13 -0.19 2.01 -1.26 -4.97 115.64 114.55 2baz s THR 13 Ca 0.52 1.75 -0.31 0.00 0.31 0.00 0.00 61.69 63.96 2baz s THR 13 Cb -0.35 -4.13 -0.10 0.00 0.01 0.00 0.00 72.50 67.93 2baz s THR 13 CO 0.45 -0.12 1.73 -0.13 -0.69 0.00 0.00 174.62 175.86 2baz s ARG 14 N 3.11 4.16 0.23 4.92 3.00 -1.26 -4.88 118.95 128.23 2baz s ARG 14 Ca 0.51 2.49 -0.32 0.00 0.00 0.00 0.00 55.73 58.42 2baz s ARG 14 Cb -0.20 -3.44 -0.14 0.00 0.00 0.00 0.00 34.95 31.18 2baz s ARG 14 CO 0.13 -0.76 1.42 0.44 0.00 0.00 0.00 175.30 176.52 2baz n ILE 15 N 4.49 0.83 0.04 1.52 -0.00 -1.26 -4.73 119.36 120.24 2baz n ILE 15 Ca 0.16 -0.21 -0.07 0.00 -0.00 0.00 0.00 62.75 62.63 2baz n ILE 15 Cb 0.38 -1.45 0.10 0.00 -0.00 0.00 0.00 39.64 38.68 2baz n ILE 15 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 2baz n ASN 16 N 2.30 3.29 -3.22 7.28 6.94 -1.26 -4.84 115.26 125.75 2baz n ASN 16 Ca 0.12 -2.65 0.00 0.00 -0.02 0.00 0.00 54.58 52.04 2baz n ASN 16 Cb 0.31 -0.64 0.00 0.00 -2.36 0.00 0.00 39.78 37.09 2baz n ASN 16 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 2baz n LYS 17 N -0.11 0.00 -4.46 -3.83 0.00 -1.26 -4.74 118.16 103.75 2baz n LYS 17 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 58.31 58.29 2baz n LYS 17 Cb 0.94 -0.84 -0.13 0.00 0.00 0.00 0.00 35.03 35.00 2baz n LYS 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2baz s MET 18 N 1.92 1.26 0.00 1.64 0.00 -1.26 -5.00 119.30 117.87 2baz s MET 18 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 55.69 54.62 2baz s MET 18 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 34.83 33.36 2baz s MET 18 CO 0.00 0.36 0.00 -0.85 0.00 0.00 0.00 175.02 174.53 2baz n GLU 19 N 1.44 0.00 -1.52 3.16 0.00 -1.26 -4.93 120.64 117.53 2baz n GLU 19 Ca -0.18 0.00 -0.60 0.00 0.00 0.00 0.00 57.16 56.38 2baz n GLU 19 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.88 2baz n GLU 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2baz n GLN 20 N 0.03 0.46 0.00 3.44 3.00 -1.26 -1.56 117.38 121.48 2baz n GLN 20 Ca 0.00 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 2baz n GLN 20 Cb 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 30.24 28.43 2baz n GLN 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2baz n GLY 21 N 5.65 3.07 3.68 1.08 0.00 -1.26 -5.06 105.19 112.35 2baz n GLY 21 Ca 0.40 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 2baz n GLY 21 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2baz n ASP 22 N 1.25 1.88 -4.75 1.61 8.00 -0.60 -4.96 116.55 118.97 2baz n ASP 22 Ca 0.00 0.95 -0.34 0.00 0.71 0.00 0.00 54.79 56.10 2baz n ASP 22 Cb 0.00 -1.48 0.05 0.00 -0.02 0.00 0.00 41.12 39.67 2baz n ASP 22 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2baz s TRP 23 N -1.34 2.42 -0.16 1.24 0.52 -1.26 -4.94 118.94 115.41 2baz s TRP 23 Ca 0.71 1.56 -0.06 0.00 0.02 0.00 0.00 56.10 58.33 2baz s TRP 23 Cb -0.45 -3.34 -0.04 0.00 -1.15 0.00 0.00 33.47 28.50 2baz s TRP 23 CO 0.50 -2.04 0.03 0.42 0.02 0.00 0.00 176.95 175.88 2baz s ILE 24 N -2.00 4.52 0.28 2.03 1.01 0.12 -4.83 121.20 122.34 2baz s ILE 24 Ca 0.72 -0.14 -0.29 0.00 0.00 0.00 0.00 60.65 60.95 2baz s ILE 24 Cb -0.25 -3.01 -0.09 0.00 0.01 0.00 0.00 42.46 39.12 2baz s ILE 24 CO 0.38 0.49 1.03 -1.81 0.00 0.00 0.00 174.94 175.04 2baz s ASP 25 N 0.18 7.34 0.09 3.58 1.01 -1.26 -0.25 116.67 127.35 2baz s ASP 25 Ca 0.03 2.11 0.09 0.00 0.71 0.00 0.00 52.55 55.49 2baz s ASP 25 Cb -0.13 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 2baz s ASP 25 CO 0.01 -0.08 -0.23 -0.76 0.21 0.00 0.00 175.17 174.32 2baz s LEU 26 N -1.54 2.42 0.23 1.23 1.43 0.11 -4.78 118.68 117.78 2baz s LEU 26 Ca 0.45 -0.62 0.11 0.00 -1.03 0.00 0.00 54.13 53.05 2baz s LEU 26 Cb -0.28 -1.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 2baz s LEU 26 CO 0.35 0.21 -0.22 -0.13 0.23 0.00 0.00 176.35 176.80 2baz s ARG 27 N -1.78 1.58 0.18 1.70 0.52 -1.26 -2.01 118.95 117.88 2baz s ARG 27 Ca 0.14 -1.64 -0.31 0.00 -0.52 0.00 0.00 55.73 53.41 2baz s ARG 27 Cb -0.10 -1.76 -0.09 0.00 0.52 0.00 0.00 34.95 33.51 2baz s ARG 27 CO 0.06 0.35 1.42 0.00 0.02 0.00 0.00 175.30 177.15 2baz s ALA 28 N -2.14 3.62 -0.95 2.13 0.00 -0.62 -4.23 121.76 119.57 2baz s ALA 28 Ca 0.25 1.23 0.27 0.00 0.00 0.00 0.00 51.96 53.71 2baz s ALA 28 Cb -0.06 -3.55 1.11 0.00 0.00 0.00 0.00 23.12 20.62 2baz s ALA 28 CO 0.12 -0.67 1.86 0.00 0.00 0.00 0.00 175.76 177.07 2baz n ALA 29 N 3.17 2.24 -3.67 0.00 0.00 0.50 -0.23 120.51 122.52 2baz n ALA 29 Ca 0.09 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.38 2baz n ALA 29 Cb 0.41 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 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 -3.02 1.39 0.42 0.00 -1.05 -1.26 -4.83 118.70 110.35 2baz s GLU 30 Ca 0.13 -0.68 -0.26 0.00 -0.15 0.00 0.00 54.97 54.01 2baz s GLU 30 Cb 0.17 0.53 -0.08 0.00 -0.44 0.00 0.00 34.13 34.30 2baz s GLU 30 CO 0.51 -0.63 1.30 -0.51 0.95 0.00 0.00 175.26 176.88 2baz s ASP 31 N -2.82 6.23 -0.07 0.83 -0.00 -1.26 -3.95 116.67 115.63 2baz s ASP 31 Ca 0.08 2.64 -0.05 0.00 -0.00 0.00 0.00 52.55 55.23 2baz s ASP 31 Cb -0.03 -2.64 0.03 0.00 -0.00 0.00 0.00 42.92 40.29 2baz s ASP 31 CO -0.02 -0.90 0.17 -0.69 -0.00 0.00 0.00 175.17 173.73 2baz s VAL 32 N -1.28 -0.03 -0.11 -1.27 1.01 0.10 -4.93 120.40 113.90 2baz s VAL 32 Ca 0.58 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.68 2baz s VAL 32 Cb -0.38 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 2baz s VAL 32 CO 0.48 0.04 -0.17 0.00 0.00 0.00 0.00 175.10 175.45 2baz s ALA 33 N 0.74 2.48 -0.07 5.51 0.00 -1.26 0.35 121.76 129.51 2baz s ALA 33 Ca -0.05 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2baz s ALA 33 Cb -0.07 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 22.04 2baz s ALA 33 CO -0.04 0.32 -0.06 0.42 0.00 0.00 0.00 175.76 176.40 2baz s ILE 34 N 0.15 0.74 0.47 0.00 1.01 -0.41 -5.02 121.20 118.14 2baz s ILE 34 Ca -0.09 -0.17 -0.19 0.00 0.00 0.00 0.00 60.65 60.20 2baz s ILE 34 Cb -0.15 -0.77 -0.10 0.00 0.01 0.00 0.00 42.46 41.45 2baz s ILE 34 CO 0.06 0.30 0.97 -0.54 0.00 0.00 0.00 174.94 175.72 2baz s LYS 35 N 1.34 4.10 0.13 2.79 3.01 -1.26 -1.54 119.74 128.30 2baz s LYS 35 Ca -0.04 1.04 -0.35 0.00 -1.01 0.00 0.00 55.97 55.62 2baz s LYS 35 Cb -0.14 -2.16 -0.16 0.00 -1.01 0.00 0.00 37.83 34.36 2baz s LYS 35 CO -0.03 -0.14 1.26 1.17 0.51 0.00 0.00 175.35 178.12 2baz n LYS 36 N -1.08 1.20 -2.36 1.68 4.81 -1.26 -1.67 118.16 119.48 2baz n LYS 36 Ca 0.07 0.43 -0.15 0.00 -0.87 0.00 0.00 58.31 57.79 2baz n LYS 36 Cb 0.54 -2.01 -0.00 0.00 0.02 0.00 0.00 35.03 33.58 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 2.29 -4.52 -4.28 3.14 8.00 0.49 -4.91 116.55 116.76 2baz n ASP 37 Ca 0.17 -0.04 -0.17 0.00 0.71 0.00 0.00 54.79 55.45 2baz n ASP 37 Cb 0.22 -3.63 -0.11 0.00 -0.02 0.00 0.00 41.12 37.59 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 -4.83 1.13 0.26 -1.24 2.02 -0.67 -4.96 118.70 110.40 2baz s GLU 38 Ca 0.03 -1.40 0.05 0.00 0.02 0.00 0.00 54.97 53.68 2baz s GLU 38 Cb -0.01 -0.91 -0.03 0.00 0.10 0.00 0.00 34.13 33.28 2baz s GLU 38 CO 0.04 0.16 0.38 0.12 0.02 0.00 0.00 175.26 175.98 2baz s PHE 39 N -2.67 3.38 -0.30 1.61 5.36 -1.26 -2.11 117.98 121.99 2baz s PHE 39 Ca 0.15 -0.06 -0.16 0.00 -0.96 0.00 0.00 56.93 55.90 2baz s PHE 39 Cb -0.02 -1.66 0.17 0.00 -0.34 0.00 0.00 43.02 41.17 2baz s PHE 39 CO 0.04 0.34 1.04 0.21 -1.46 0.00 0.00 175.22 175.38 2baz s LYS 40 N -4.02 0.25 -0.47 10.12 2.47 -0.23 -4.98 119.74 122.88 2baz s LYS 40 Ca 0.36 0.62 -0.29 0.00 -1.56 0.00 0.00 55.97 55.10 2baz s LYS 40 Cb -0.09 0.37 0.03 0.00 -1.46 0.00 0.00 37.83 36.68 2baz s LYS 40 CO 0.29 -0.09 1.13 -0.51 0.16 0.00 0.00 175.35 176.33 2baz s LEU 41 N 2.41 3.65 -0.33 5.43 1.43 -1.26 -1.57 118.68 128.44 2baz s LEU 41 Ca -0.02 0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 53.34 2baz s LEU 41 Cb -0.05 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.63 2baz s LEU 41 CO -0.17 -1.24 0.72 -0.69 0.23 0.00 0.00 176.35 175.20 2baz s VAL 42 N 4.41 4.83 0.30 -1.59 1.01 -0.09 -4.87 120.40 124.40 2baz s VAL 42 Ca 0.48 0.92 -0.29 0.00 0.00 0.00 0.00 61.98 63.08 2baz s VAL 42 Cb -0.07 -4.11 -0.10 0.00 0.00 0.00 0.00 36.38 32.10 2baz s VAL 42 CO 0.31 -0.28 1.26 -2.16 0.00 0.00 0.00 175.10 174.23 2baz s PRO 43 N 2.86 4.43 0.00 2.72 0.04 -1.26 -0.32 135.00 143.47 2baz s PRO 43 Ca 0.29 2.10 0.23 0.00 0.04 0.00 0.00 61.00 63.65 2baz s PRO 43 Cb -0.14 -3.12 0.06 0.00 0.04 0.00 0.00 34.50 31.34 2baz s PRO 43 CO 0.14 -0.11 1.15 1.28 0.04 0.00 0.00 177.00 179.50 2baz n LEU 44 N 1.22 2.39 -1.89 -3.56 4.77 -0.50 -0.37 117.00 119.06 2baz n LEU 44 Ca 0.01 -0.85 -0.20 0.00 -0.03 0.00 0.00 56.01 54.94 2baz n LEU 44 Cb 0.43 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 2baz n LEU 44 CO 0.58 0.42 -0.22 0.61 -1.33 0.00 0.00 177.39 177.45 2baz n GLY 45 N 1.39 0.72 3.10 -0.72 0.00 -1.26 -4.42 105.19 103.99 2baz n GLY 45 Ca 0.11 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.86 0.62 0.00 1.61 -7.23 -1.26 -0.94 120.40 110.34 2baz s VAL 46 Ca 0.00 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 2baz s VAL 46 Cb 0.00 -0.97 -0.00 0.00 0.56 0.00 0.00 36.38 35.96 2baz s VAL 46 CO 0.00 -0.53 -0.01 0.00 -0.31 0.00 0.00 175.10 174.26 2baz s ALA 47 N -2.08 0.04 0.06 1.32 0.00 -0.47 -0.59 121.76 120.03 2baz s ALA 47 Ca -0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 51.96 51.87 2baz s ALA 47 Cb -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2baz s ALA 47 CO -0.01 -0.00 -0.04 -1.64 0.00 0.00 0.00 175.76 174.07 2baz s MET 48 N -0.11 0.65 -0.38 0.00 -1.94 -1.26 -0.40 119.30 115.86 2baz s MET 48 Ca -0.01 -1.22 -0.02 0.00 -1.71 0.00 0.00 55.69 52.74 2baz s MET 48 Cb -0.01 0.10 0.10 0.00 2.01 0.00 0.00 34.83 37.02 2baz s MET 48 CO -0.00 -0.08 0.14 -2.00 -0.01 0.00 0.00 175.02 173.07 2baz s GLU 49 N -3.76 2.00 0.62 2.03 2.12 0.09 -4.21 118.70 117.58 2baz s GLU 49 Ca 0.07 -1.72 -0.14 0.00 0.36 0.00 0.00 54.97 53.54 2baz s GLU 49 Cb 0.06 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 2baz s GLU 49 CO -0.08 -0.96 1.05 -0.51 -0.54 0.00 0.00 175.26 174.21 2baz s LEU 50 N 1.12 3.38 0.57 2.70 1.43 -1.26 -2.63 118.68 123.99 2baz s LEU 50 Ca 0.06 1.70 -0.20 0.00 -1.03 0.00 0.00 54.13 54.66 2baz s LEU 50 Cb -0.22 -4.51 -0.05 0.00 0.03 0.00 0.00 46.19 41.44 2baz s LEU 50 CO -0.04 -1.17 1.08 -2.65 0.23 0.00 0.00 176.35 173.79 2baz n PRO 51 N -2.37 1.14 -1.74 1.29 -0.02 -1.26 -4.87 135.00 127.17 2baz n PRO 51 Ca 0.08 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 2baz n PRO 51 Cb 0.53 -2.26 -0.01 0.00 -0.02 0.00 0.00 33.50 31.74 2baz n PRO 51 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2baz n GLU 52 N -0.92 2.50 -1.00 -0.52 0.00 -1.26 -1.82 120.64 117.62 2baz n GLU 52 Ca 0.13 0.88 0.00 0.00 0.00 0.00 0.00 57.16 58.17 2baz n GLU 52 Cb 0.46 -2.59 0.00 0.00 0.00 0.00 0.00 31.44 29.31 2baz n GLU 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2baz n GLY 53 N 1.25 0.69 3.60 -1.84 0.00 -1.26 -5.03 105.19 102.60 2baz n GLY 53 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.78 2.51 0.11 1.61 1.51 -0.76 -1.24 117.35 118.31 2baz s TYR 54 Ca 0.00 -0.39 -0.00 0.00 -1.01 0.00 0.00 57.07 55.67 2baz s TYR 54 Cb 0.00 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 2baz s TYR 54 CO 0.00 0.55 0.00 -1.83 -1.11 0.00 0.00 175.55 173.17 2baz s GLU 55 N -3.66 0.84 0.11 -0.62 -1.05 -0.10 -2.87 118.70 111.34 2baz s GLU 55 Ca 0.33 -1.37 0.08 0.00 -0.15 0.00 0.00 54.97 53.86 2baz s GLU 55 Cb -0.02 0.09 -0.04 0.00 -0.44 0.00 0.00 34.13 33.72 2baz s GLU 55 CO 0.18 -0.16 -0.14 0.00 0.95 0.00 0.00 175.26 176.10 2baz s ALA 56 N -3.89 2.82 -0.06 -0.84 0.00 0.63 -1.04 121.76 119.39 2baz s ALA 56 Ca 0.17 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 50.88 2baz s ALA 56 Cb 0.07 -0.78 -0.00 0.00 0.00 0.00 0.00 23.12 22.41 2baz s ALA 56 CO -0.03 0.62 -0.19 -1.01 0.00 0.00 0.00 175.76 175.16 2baz s HIS 57 N -1.17 1.91 -0.07 0.00 3.76 -0.31 -1.37 115.29 118.04 2baz s HIS 57 Ca 0.20 -0.62 0.02 0.00 -0.15 0.00 0.00 55.06 54.51 2baz s HIS 57 Cb -0.11 -1.29 0.01 0.00 1.11 0.00 0.00 32.58 32.30 2baz s HIS 57 CO 0.12 -0.23 -0.13 0.54 -0.85 0.00 0.00 174.74 174.19 2baz s VAL 58 N 0.15 1.19 0.16 -0.90 0.11 -0.67 -2.29 120.40 118.14 2baz s VAL 58 Ca -0.08 -0.51 0.01 0.00 -2.93 0.00 0.00 61.98 58.47 2baz s VAL 58 Cb -0.14 -1.08 -0.04 0.00 -1.53 0.00 0.00 36.38 33.59 2baz s VAL 58 CO 0.04 0.37 0.03 0.68 -3.33 0.00 0.00 175.10 172.88 2baz s VAL 59 N 0.64 0.46 0.82 2.04 -7.23 -0.69 -1.12 120.40 115.31 2baz s VAL 59 Ca -0.15 -1.95 -0.12 0.00 -1.81 0.00 0.00 61.98 57.95 2baz s VAL 59 Cb -0.16 -2.11 0.09 0.00 0.56 0.00 0.00 36.38 34.76 2baz s VAL 59 CO 0.04 -0.45 1.15 -2.84 -0.31 0.00 0.00 175.10 172.69 2baz s PRO 60 N -3.97 1.69 0.65 4.82 0.02 -1.26 -1.08 135.00 135.87 2baz s PRO 60 Ca 0.24 1.54 -0.11 0.00 0.02 0.00 0.00 61.00 62.69 2baz s PRO 60 Cb 0.07 -1.80 -0.02 0.00 0.02 0.00 0.00 34.50 32.76 2baz s PRO 60 CO 0.03 -2.13 1.05 1.03 -0.33 0.00 0.00 177.00 176.65 2baz s ARG 61 N -4.44 3.33 0.28 5.54 0.52 -1.23 -4.61 118.95 118.35 2baz s ARG 61 Ca 0.68 0.70 0.01 0.00 -0.52 0.00 0.00 55.73 56.60 2baz s ARG 61 Cb -0.24 -2.05 0.56 0.00 0.52 0.00 0.00 34.95 33.74 2baz s ARG 61 CO 0.53 -0.75 1.82 1.03 0.02 0.00 0.00 175.30 177.95 2baz h SER 62 N -0.45 0.87 -0.45 0.23 0.87 -1.95 -2.00 113.55 110.67 2baz h SER 62 Ca -0.44 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2baz h SER 62 Cb 1.21 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2baz h SER 62 CO 0.62 0.44 0.00 -1.54 -0.53 0.00 0.00 176.83 175.82 2baz n SER 63 N -4.66 2.75 -0.10 6.23 3.41 -1.26 -4.43 113.62 115.55 2baz n SER 63 Ca 0.19 -2.10 -0.10 0.00 -0.26 0.00 0.00 58.87 56.60 2baz n SER 63 Cb 0.38 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 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 2.70 1.17 -0.14 6.66 2.02 -1.67 -0.62 112.91 123.03 2baz h THR 64 Ca 0.00 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 2baz h THR 64 Cb 0.76 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 2baz h THR 64 CO 0.05 0.18 0.05 0.22 0.37 0.00 0.00 175.52 176.40 2baz h TYR 65 N 0.38 0.22 -0.44 3.16 5.03 -1.78 0.19 116.97 123.73 2baz h TYR 65 Ca 0.11 -0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.45 2baz h TYR 65 Cb 0.16 -0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.33 2baz h TYR 65 CO -0.01 0.31 0.19 -0.22 -1.32 0.00 0.00 178.16 177.11 2baz h LYS 66 N 0.06 0.37 -0.12 1.82 1.63 -1.83 0.72 116.57 119.23 2baz h LYS 66 Ca 0.05 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.76 2baz h LYS 66 Cb 0.19 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2baz h LYS 66 CO -0.00 0.25 -0.16 -0.91 -3.45 0.00 0.00 179.45 175.17 2baz h ASN 67 N 0.38 0.35 -0.00 4.20 -0.26 -0.95 -3.39 115.58 115.91 2baz h ASN 67 Ca 0.20 -0.51 0.00 0.00 -0.56 0.00 0.00 56.30 55.42 2baz h ASN 67 Cb 0.14 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.30 2baz h ASN 67 CO -0.17 0.80 0.00 0.49 -1.06 0.00 0.00 177.43 177.49 2baz n PHE 68 N -4.56 0.00 -2.71 1.19 3.72 0.64 -5.01 117.46 110.74 2baz n PHE 68 Ca -0.07 -0.05 -0.21 0.00 -0.05 0.00 0.00 57.45 57.07 2baz n PHE 68 Cb 0.38 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.92 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 -0.04 -0.51 3.37 1.37 0.00 0.25 -4.74 105.19 104.89 2baz n GLY 69 Ca 0.00 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.07 1.96 0.19 1.61 -7.23 -1.26 -0.51 120.40 112.09 2baz s VAL 70 Ca 0.14 -2.12 0.09 0.00 -1.81 0.00 0.00 61.98 58.29 2baz s VAL 70 Cb -0.07 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 2baz s VAL 70 CO 0.18 -0.41 -0.19 0.27 -0.31 0.00 0.00 175.10 174.64 2baz s ILE 71 N -2.41 1.98 -0.36 -0.62 -4.36 -0.57 -4.23 121.20 110.63 2baz s ILE 71 Ca 0.21 -2.03 -0.21 0.00 -0.26 0.00 0.00 60.65 58.36 2baz s ILE 71 Cb -0.04 -1.97 0.00 0.00 1.25 0.00 0.00 42.46 41.71 2baz s ILE 71 CO 0.09 -0.32 0.67 -1.58 0.24 0.00 0.00 174.94 174.03 2baz s GLN 72 N -2.95 3.69 0.55 0.37 0.74 -1.26 -1.76 119.66 119.03 2baz s GLN 72 Ca 0.19 0.11 0.24 0.00 0.05 0.00 0.00 55.36 55.95 2baz s GLN 72 Cb -0.05 -3.81 1.54 0.00 1.10 0.00 0.00 33.01 31.78 2baz s GLN 72 CO 0.08 -0.77 2.17 1.79 -0.55 0.00 0.00 175.29 178.01 2baz h THR 73 N 5.70 0.72 -0.62 -0.34 1.35 -1.69 -1.75 112.91 116.28 2baz h THR 73 Ca -0.26 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2baz h THR 73 Cb 1.11 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2baz h THR 73 CO 0.86 0.04 0.00 -0.46 -0.25 0.00 0.00 175.52 175.70 2baz n ASN 74 N -4.04 4.03 0.00 5.36 6.94 -1.26 -4.97 115.26 121.32 2baz n ASN 74 Ca -0.03 -2.23 0.00 0.00 -0.02 0.00 0.00 54.58 52.30 2baz n ASN 74 Cb 0.13 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 37.04 2baz n ASN 74 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2baz n SER 75 N 1.20 0.00 -3.83 0.53 7.64 -0.66 -4.47 113.62 114.04 2baz n SER 75 Ca 0.23 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.88 2baz n SER 75 Cb 0.71 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.74 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 0.87 0.37 1.43 -2.45 -1.26 -4.69 119.30 113.56 2baz s MET 76 Ca 0.00 -0.02 -0.24 0.00 -1.25 0.00 0.00 55.69 54.19 2baz s MET 76 Cb 0.00 -1.09 -0.10 0.00 1.25 0.00 0.00 34.83 34.89 2baz s MET 76 CO 0.00 -0.25 0.95 0.20 1.05 0.00 0.00 175.02 176.97 2baz s GLY 77 N 1.70 2.61 -0.24 2.11 0.00 -0.27 -4.87 107.32 108.36 2baz s GLY 77 Ca 0.02 0.47 0.01 0.00 0.00 0.00 0.00 44.72 45.21 2baz s GLY 77 CO -0.05 0.84 -0.04 0.14 0.00 0.00 0.00 173.10 173.99 2baz s VAL 78 N -1.88 1.47 -0.37 1.40 1.01 -1.26 -1.68 120.40 119.09 2baz s VAL 78 Ca 0.56 -1.22 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 2baz s VAL 78 Cb -0.14 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.49 2baz s VAL 78 CO 0.19 -0.14 0.23 -0.63 0.00 0.00 0.00 175.10 174.75 2baz s ILE 79 N 1.42 4.84 0.64 2.22 -1.09 -0.47 -4.95 121.20 123.80 2baz s ILE 79 Ca -0.05 -0.69 -0.12 0.00 -2.23 0.00 0.00 60.65 57.57 2baz s ILE 79 Cb -0.19 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.02 2baz s ILE 79 CO -0.07 -0.20 1.04 -0.62 -1.23 0.00 0.00 174.94 173.86 2baz s ASP 80 N 1.61 5.94 0.44 3.58 2.15 -1.26 -0.27 116.67 128.87 2baz s ASP 80 Ca 0.04 1.52 0.15 0.00 0.43 0.00 0.00 52.55 54.69 2baz s ASP 80 Cb -0.19 -2.48 1.07 0.00 -0.30 0.00 0.00 42.92 41.02 2baz s ASP 80 CO 0.08 -1.06 1.97 1.05 -0.17 0.00 0.00 175.17 177.03 2baz h GLU 81 N -0.33 0.36 0.00 4.34 4.11 -1.87 -1.35 114.58 119.84 2baz h GLU 81 Ca -0.44 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2baz h GLU 81 Cb 1.20 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2baz h GLU 81 CO 0.60 0.24 0.00 0.66 0.07 0.00 0.00 179.01 180.58 2baz h SER 82 N 0.37 0.00 -0.23 3.06 4.64 -1.92 -3.33 113.55 116.13 2baz h SER 82 Ca 0.29 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.91 2baz h SER 82 Cb 0.64 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.71 2baz h SER 82 CO -0.08 0.00 3.29 0.00 -0.87 0.00 0.00 176.83 179.17 2baz n TYR 83 N -3.03 2.91 -0.92 4.77 9.36 -0.51 -4.37 117.16 125.36 2baz n TYR 83 Ca 0.00 -3.00 0.08 0.00 3.32 0.00 0.00 57.90 58.30 2baz n TYR 83 Cb 0.26 -2.41 0.12 0.00 -0.63 0.00 0.00 39.34 36.68 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 4.38 1.52 -1.46 2.98 2.85 -1.25 -4.62 118.16 122.56 2baz n LYS 84 Ca 0.64 -2.39 -0.32 0.00 -1.05 0.00 0.00 58.31 55.19 2baz n LYS 84 Cb 0.30 -1.41 0.08 0.00 -0.65 0.00 0.00 35.03 33.35 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 -2.56 1.93 0.50 2.58 0.00 -1.26 -4.79 107.32 103.72 2baz s GLY 85 Ca 0.27 0.45 0.33 0.00 0.00 0.00 0.00 44.72 45.77 2baz s GLY 85 CO 0.02 0.81 2.02 -0.55 0.00 0.00 0.00 173.10 175.40 2baz h ASP 86 N -0.60 0.00 0.00 1.64 3.32 -1.98 -1.02 116.42 117.77 2baz h ASP 86 Ca -0.45 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 2baz h ASP 86 Cb 1.24 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 2baz h ASP 86 CO 0.52 0.00 -0.42 -3.20 -1.72 0.00 0.00 179.24 174.42 2baz n ASN 87 N -2.72 1.76 -3.84 6.45 5.15 -1.26 -4.85 115.26 115.94 2baz n ASN 87 Ca -0.02 -3.47 -0.42 0.00 -0.60 0.00 0.00 54.58 50.07 2baz n ASN 87 Cb 0.10 -0.47 0.01 0.00 -0.53 0.00 0.00 39.78 38.89 2baz n ASN 87 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2baz n ASP 88 N -1.03 6.26 -4.84 1.20 10.43 -0.39 -5.00 116.55 123.19 2baz n ASP 88 Ca 0.16 -3.31 -0.32 0.00 2.57 0.00 0.00 54.79 53.90 2baz n ASP 88 Cb 0.72 -1.34 -0.02 0.00 1.84 0.00 0.00 41.12 42.31 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 -1.64 3.38 0.18 1.24 0.40 -1.26 -4.42 117.98 115.86 2baz s PHE 89 Ca 0.38 1.46 -0.11 0.00 -0.60 0.00 0.00 56.93 58.07 2baz s PHE 89 Cb 0.10 -2.83 -0.07 0.00 0.51 0.00 0.00 43.02 40.74 2baz s PHE 89 CO 0.02 -0.53 0.52 -1.58 0.70 0.00 0.00 175.22 174.35 2baz s TRP 90 N -2.63 3.51 0.05 0.36 0.52 0.24 -4.97 118.94 116.01 2baz s TRP 90 Ca 0.59 0.90 0.01 0.00 0.02 0.00 0.00 56.10 57.62 2baz s TRP 90 Cb -0.11 -2.26 -0.03 0.00 -1.15 0.00 0.00 33.47 29.92 2baz s TRP 90 CO 0.34 0.37 -0.05 -0.06 0.02 0.00 0.00 176.95 177.56 2baz s PHE 91 N -1.64 0.57 -0.32 -1.98 0.40 -1.26 -1.40 117.98 112.35 2baz s PHE 91 Ca 0.42 -0.73 -0.02 0.00 -0.60 0.00 0.00 56.93 56.00 2baz s PHE 91 Cb -0.13 -0.37 0.06 0.00 0.51 0.00 0.00 43.02 43.09 2baz s PHE 91 CO 0.20 -0.20 0.03 0.12 0.70 0.00 0.00 175.22 176.07 2baz s PHE 92 N -2.49 3.32 -0.52 0.36 2.19 0.57 -4.93 117.98 116.47 2baz s PHE 92 Ca -0.03 -1.95 -0.28 0.00 0.33 0.00 0.00 56.93 55.01 2baz s PHE 92 Cb -0.02 -2.27 0.00 0.00 -1.31 0.00 0.00 43.02 39.42 2baz s PHE 92 CO -0.04 -0.82 1.54 -1.25 1.83 0.00 0.00 175.22 176.48 2baz s PRO 93 N 1.24 3.23 -0.14 10.12 0.04 -1.26 -0.91 135.00 147.31 2baz s PRO 93 Ca -0.03 0.66 -0.04 0.00 0.04 0.00 0.00 61.00 61.63 2baz s PRO 93 Cb -0.20 -4.17 -0.03 0.00 0.04 0.00 0.00 34.50 30.14 2baz s PRO 93 CO -0.01 -2.02 -0.01 0.00 0.04 0.00 0.00 177.00 175.00 2baz s ALA 94 N 6.58 3.14 -0.21 8.56 0.00 -0.61 -1.69 121.76 137.53 2baz s ALA 94 Ca 0.59 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2baz s ALA 94 Cb -0.13 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.43 2baz s ALA 94 CO 0.26 0.31 -0.14 -0.47 0.00 0.00 0.00 175.76 175.72 2baz s TYR 95 N 0.04 2.94 -0.04 0.00 6.14 -0.72 -1.07 117.35 124.64 2baz s TYR 95 Ca 0.02 -1.70 -0.24 0.00 0.64 0.00 0.00 57.07 55.79 2baz s TYR 95 Cb -0.13 -1.97 -0.04 0.00 0.42 0.00 0.00 41.96 40.25 2baz s TYR 95 CO 0.02 -0.78 0.73 0.00 0.64 0.00 0.00 175.55 176.16 2baz s ALA 96 N 1.28 3.33 -2.06 3.97 0.00 -0.89 -1.51 121.76 125.87 2baz s ALA 96 Ca 0.01 0.19 0.15 0.00 0.00 0.00 0.00 51.96 52.32 2baz s ALA 96 Cb -0.15 -2.99 0.45 0.00 0.00 0.00 0.00 23.12 20.43 2baz s ALA 96 CO -0.09 -0.09 1.37 1.28 0.00 0.00 0.00 175.76 178.23 2baz n LEU 97 N 3.64 2.37 -3.60 0.00 7.99 0.34 -0.38 117.00 127.36 2baz n LEU 97 Ca -0.01 -1.16 -0.03 0.00 -0.01 0.00 0.00 56.01 54.80 2baz n LEU 97 Cb 0.51 -0.27 -0.02 0.00 -0.11 0.00 0.00 43.42 43.53 2baz n LEU 97 CO 0.47 0.58 0.99 0.00 -1.51 0.00 0.00 177.39 177.92 2baz s ARG 98 N -1.45 0.38 0.21 3.23 1.70 -1.25 -4.74 118.95 117.02 2baz s ARG 98 Ca 0.31 -0.16 -0.32 0.00 -0.47 0.00 0.00 55.73 55.08 2baz s ARG 98 Cb 0.16 0.16 -0.13 0.00 -0.57 0.00 0.00 34.95 34.58 2baz s ARG 98 CO 0.22 -0.17 1.59 -0.25 -1.08 0.00 0.00 175.30 175.61 2baz n ASP 99 N -0.20 3.37 -3.71 -2.89 8.00 -1.26 -4.00 116.55 115.86 2baz n ASP 99 Ca -0.02 1.10 -0.10 0.00 0.71 0.00 0.00 54.79 56.48 2baz n ASP 99 Cb 0.59 -1.49 -0.05 0.00 -0.02 0.00 0.00 41.12 40.15 2baz n ASP 99 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2baz s THR 100 N 0.68 0.09 -0.04 -3.53 -1.32 -0.59 -4.92 115.64 106.00 2baz s THR 100 Ca 0.74 -0.77 -0.01 0.00 -1.21 0.00 0.00 61.69 60.43 2baz s THR 100 Cb -0.60 -1.25 0.03 0.00 -1.51 0.00 0.00 72.50 69.16 2baz s THR 100 CO 0.40 -0.40 0.04 -0.54 -2.21 0.00 0.00 174.62 171.92 2baz s LYS 101 N -3.83 0.02 -0.15 7.08 1.02 -1.26 -1.29 119.74 121.33 2baz s LYS 101 Ca 0.04 0.30 -0.07 0.00 0.02 0.00 0.00 55.97 56.26 2baz s LYS 101 Cb 0.03 -0.50 -0.04 0.00 -0.52 0.00 0.00 37.83 36.79 2baz s LYS 101 CO -0.11 -0.28 0.08 0.42 -0.92 0.00 0.00 175.35 174.54 2baz s ILE 102 N 1.87 5.02 0.06 2.17 1.01 0.16 -4.97 121.20 126.50 2baz s ILE 102 Ca 0.01 0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.64 2baz s ILE 102 Cb -0.12 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 2baz s ILE 102 CO -0.03 0.54 0.31 -0.54 0.00 0.00 0.00 174.94 175.21 2baz s LYS 103 N -0.31 3.61 0.09 2.79 -0.14 -1.26 -0.72 119.74 123.79 2baz s LYS 103 Ca 0.09 -0.07 -0.35 0.00 -1.36 0.00 0.00 55.97 54.28 2baz s LYS 103 Cb -0.12 -3.01 -0.14 0.00 -1.68 0.00 0.00 37.83 32.88 2baz s LYS 103 CO 0.01 0.59 1.56 1.17 -0.76 0.00 0.00 175.35 177.92 2baz n LYS 104 N 0.77 1.85 -0.04 1.68 4.81 -1.25 -0.42 118.16 125.54 2baz n LYS 104 Ca -0.08 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 2baz n LYS 104 Cb 0.52 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.16 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 3.34 0.90 3.71 3.14 0.00 0.68 -4.95 105.19 112.00 2baz n GLY 105 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.68 6.89 -0.27 1.61 1.01 0.43 -4.67 116.67 119.00 2baz s ASP 106 Ca 0.00 2.24 -0.29 0.00 0.71 0.00 0.00 52.55 55.21 2baz s ASP 106 Cb 0.00 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.34 2baz s ASP 106 CO 0.00 -0.61 1.33 -0.13 0.21 0.00 0.00 175.17 175.98 2baz s ARG 107 N 1.12 3.95 -0.00 8.23 0.52 -1.26 -1.59 118.95 129.92 2baz s ARG 107 Ca 0.63 1.36 0.05 0.00 -0.52 0.00 0.00 55.73 57.24 2baz s ARG 107 Cb -0.35 -3.88 -0.06 0.00 0.52 0.00 0.00 34.95 31.18 2baz s ARG 107 CO 0.30 -1.08 0.15 0.44 0.02 0.00 0.00 175.30 175.13 2baz n ILE 108 N 6.10 0.00 -3.94 1.52 -5.35 -0.85 -4.93 119.36 111.91 2baz n ILE 108 Ca 0.15 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.26 2baz n ILE 108 Cb 0.46 0.70 -0.00 0.00 -1.74 0.00 0.00 39.64 39.06 2baz n ILE 108 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2baz s GLN 110 N -2.47 0.90 0.21 0.00 -2.07 -0.24 -0.71 119.66 115.28 2baz s GLN 110 Ca 0.23 -0.91 -0.06 0.00 -1.82 0.00 0.00 55.36 52.80 2baz s GLN 110 Cb -0.03 0.37 -0.02 0.00 -1.09 0.00 0.00 33.01 32.24 2baz s GLN 110 CO 0.17 -0.30 0.27 -0.59 -1.32 0.00 0.00 175.29 173.52 2baz s PHE 111 N -3.85 0.78 0.18 9.60 -0.12 0.65 -1.71 117.98 123.51 2baz s PHE 111 Ca 0.05 -1.07 -0.18 0.00 -0.05 0.00 0.00 56.93 55.68 2baz s PHE 111 Cb 0.04 -0.23 0.03 0.00 -0.63 0.00 0.00 43.02 42.24 2baz s PHE 111 CO -0.11 -0.78 0.51 -0.98 -0.05 0.00 0.00 175.22 173.81 2baz s ARG 112 N -4.08 1.31 0.35 1.99 1.70 -0.97 0.15 118.95 119.39 2baz s ARG 112 Ca 0.30 -0.79 0.08 0.00 -0.47 0.00 0.00 55.73 54.85 2baz s ARG 112 Cb 0.04 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.91 2baz s ARG 112 CO 0.09 -0.55 0.27 0.96 -1.08 0.00 0.00 175.30 174.99 2baz s ILE 113 N -3.84 3.22 -0.04 4.99 -4.36 -1.26 -1.16 121.20 118.74 2baz s ILE 113 Ca 0.07 -1.45 -0.30 0.00 -0.26 0.00 0.00 60.65 58.70 2baz s ILE 113 Cb -0.00 -3.10 0.07 0.00 1.25 0.00 0.00 42.46 40.68 2baz s ILE 113 CO -0.06 -0.14 0.70 -0.32 0.24 0.00 0.00 174.94 175.36 2baz s MET 114 N -3.98 1.04 0.37 0.37 1.75 -0.21 -4.94 119.30 113.70 2baz s MET 114 Ca 0.41 0.20 -0.28 0.00 -1.25 0.00 0.00 55.69 54.77 2baz s MET 114 Cb -0.04 0.49 -0.10 0.00 2.84 0.00 0.00 34.83 38.02 2baz s MET 114 CO 0.26 -0.34 1.33 -1.59 -0.65 0.00 0.00 175.02 174.03 2baz s LYS 115 N -1.38 4.17 0.91 4.11 0.00 -1.26 -0.93 119.74 125.36 2baz s LYS 115 Ca -0.09 2.25 -0.12 0.00 0.00 0.00 0.00 55.97 58.00 2baz s LYS 115 Cb -0.00 -2.94 0.14 0.00 0.00 0.00 0.00 37.83 35.03 2baz s LYS 115 CO 0.08 -0.35 1.09 0.15 0.00 0.00 0.00 175.35 176.31 2baz s LYS 116 N -2.01 1.12 0.57 1.78 1.02 -0.38 -4.80 119.74 117.05 2baz s LYS 116 Ca 0.52 0.79 -0.20 0.00 0.02 0.00 0.00 55.97 57.10 2baz s LYS 116 Cb -0.40 -1.80 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 2baz s LYS 116 CO 0.53 -2.32 1.25 0.00 -0.92 0.00 0.00 175.35 173.89 2baz s MET 117 N -4.93 3.05 0.78 1.68 0.23 -1.26 -4.96 119.30 113.89 2baz s MET 117 Ca 0.64 1.95 -0.13 0.00 -1.03 0.00 0.00 55.69 57.12 2baz s MET 117 Cb -0.18 -2.06 0.07 0.00 -1.53 0.00 0.00 34.83 31.13 2baz s MET 117 CO 0.57 -1.17 1.18 -2.14 -2.03 0.00 0.00 175.02 171.43 2baz s PRO 118 N -3.15 1.87 0.15 3.16 0.02 -1.26 -4.92 135.00 130.87 2baz s PRO 118 Ca 0.75 1.65 -0.31 0.00 0.02 0.00 0.00 61.00 63.11 2baz s PRO 118 Cb -0.34 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.29 2baz s PRO 118 CO 0.38 -2.02 1.37 0.00 -0.33 0.00 0.00 177.00 176.40 2baz s ALA 119 N -2.24 3.57 0.27 -1.55 0.00 -1.26 -5.02 121.76 115.53 2baz s ALA 119 Ca 0.71 1.13 0.10 0.00 0.00 0.00 0.00 51.96 53.90 2baz s ALA 119 Cb -0.26 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.29 2baz s ALA 119 CO 0.49 -0.60 -0.16 0.14 0.00 0.00 0.00 175.76 175.64 2baz s VAL 120 N 0.68 2.15 -0.28 0.00 -7.23 -1.26 -5.12 120.40 109.34 2baz s VAL 120 Ca 0.61 -2.30 -0.06 0.00 -1.81 0.00 0.00 61.98 58.43 2baz s VAL 120 Cb -0.37 -2.28 0.01 0.00 0.56 0.00 0.00 36.38 34.30 2baz s VAL 120 CO 0.34 -0.42 0.05 -1.81 -0.31 0.00 0.00 175.10 172.94 2baz s ASP 121 N -3.46 4.94 -0.49 4.85 -0.00 -1.26 -5.05 116.67 116.20 2baz s ASP 121 Ca 0.28 -0.71 -0.23 0.00 -0.00 0.00 0.00 52.55 51.89 2baz s ASP 121 Cb -0.02 -1.84 0.03 0.00 -0.00 0.00 0.00 42.92 41.10 2baz s ASP 121 CO 0.12 -0.17 0.84 -0.76 -0.00 0.00 0.00 175.17 175.20 2baz s LEU 122 N 1.47 4.25 -0.38 1.23 1.02 -1.26 -5.01 118.68 120.00 2baz s LEU 122 Ca 0.02 -0.26 -0.12 0.00 0.02 0.00 0.00 54.13 53.80 2baz s LEU 122 Cb -0.17 -2.89 0.02 0.00 0.02 0.00 0.00 46.19 43.18 2baz s LEU 122 CO 0.01 -1.03 0.22 -0.63 0.02 0.00 0.00 176.35 174.94 2baz s ILE 123 N 3.49 4.74 0.32 -0.59 -1.09 -1.26 -5.07 121.20 121.75 2baz s ILE 123 Ca 0.29 -0.77 -0.29 0.00 -2.23 0.00 0.00 60.65 57.65 2baz s ILE 123 Cb -0.13 -3.63 -0.10 0.00 -1.58 0.00 0.00 42.46 37.02 2baz s ILE 123 CO 0.21 -0.23 1.27 -0.70 -1.23 0.00 0.00 174.94 174.26 2baz s GLU 124 N 1.59 4.41 0.36 2.79 2.12 -1.26 -5.02 118.70 123.69 2baz s GLU 124 Ca 0.03 2.14 0.05 0.00 0.36 0.00 0.00 54.97 57.54 2baz s GLU 124 Cb -0.19 -3.09 -0.03 0.00 0.26 0.00 0.00 34.13 31.08 2baz s GLU 124 CO 0.07 -0.11 0.19 0.14 -0.54 0.00 0.00 175.26 175.01 2baz s VAL 125 N -1.15 0.34 -0.31 3.70 -7.23 -1.26 -5.06 120.40 109.43 2baz s VAL 125 Ca 0.48 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.73 2baz s VAL 125 Cb -0.38 -2.42 -0.09 0.00 0.56 0.00 0.00 36.38 34.05 2baz s VAL 125 CO 0.51 0.00 0.31 0.47 -0.31 0.00 0.00 175.10 176.07 2baz n ASP 126 N -1.33 0.81 -3.78 4.85 9.92 -1.26 -5.01 116.55 120.75 2baz n ASP 126 Ca -0.00 -0.58 -0.13 0.00 -0.53 0.00 0.00 54.79 53.55 2baz n ASP 126 Cb 0.64 1.06 -0.10 0.00 -0.64 0.00 0.00 41.12 42.08 2baz n ASP 126 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2baz s ARG 127 N -1.87 0.44 0.00 -1.24 3.00 -1.26 -5.38 118.95 112.64 2baz s ARG 127 Ca 0.02 0.14 0.01 0.00 0.00 0.00 0.00 55.73 55.90 2baz s ARG 127 Cb 0.06 0.20 0.01 0.00 0.00 0.00 0.00 34.95 35.22 2baz s ARG 127 CO 0.32 -0.09 0.53 1.28 0.00 0.00 0.00 175.30 177.35