#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozi s PRO 10 N 0.00 4.32 0.00 1.97 0.02 -1.26 -1.77 135.00 138.27 1ozi s PRO 10 Ca 0.00 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.22 1ozi s PRO 10 Cb 0.00 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.38 1ozi s PRO 10 CO 0.00 -0.35 0.00 0.41 -0.33 0.00 0.00 177.00 176.73 1ozi n GLY 11 N 2.26 1.71 3.78 0.52 0.00 0.21 -4.94 105.19 108.73 1ozi n GLY 11 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1ozi n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ozi s ASP 12 N -2.04 7.40 0.03 1.61 2.15 -0.73 -4.78 116.67 120.30 1ozi s ASP 12 Ca 0.00 1.72 -0.15 0.00 0.43 0.00 0.00 52.55 54.55 1ozi s ASP 12 Cb 0.00 -2.53 -0.06 0.00 -0.30 0.00 0.00 42.92 40.03 1ozi s ASP 12 CO 0.00 0.12 0.44 0.42 -0.17 0.00 0.00 175.17 175.98 1ozi s THR 13 N -1.29 4.98 0.00 1.71 -4.23 -1.26 -0.33 115.64 115.22 1ozi s THR 13 Ca 0.41 0.85 0.00 0.00 -1.18 0.00 0.00 61.69 61.77 1ozi s THR 13 Cb -0.22 -3.73 -0.00 0.00 1.34 0.00 0.00 72.50 69.88 1ozi s THR 13 CO 0.26 0.52 -0.01 0.72 -0.54 0.00 0.00 174.62 175.58 1ozi s PHE 14 N -1.15 0.05 -0.50 3.99 -0.71 0.10 -4.94 117.98 114.82 1ozi s PHE 14 Ca 0.26 -0.09 -0.26 0.00 -1.04 0.00 0.00 56.93 55.81 1ozi s PHE 14 Cb -0.17 -0.04 0.03 0.00 -1.21 0.00 0.00 43.02 41.64 1ozi s PHE 14 CO 0.15 -0.03 1.00 -1.21 -1.34 0.00 0.00 175.22 173.79 1ozi s GLU 15 N -0.24 3.51 -0.17 1.99 8.01 -1.26 -0.93 118.70 129.60 1ozi s GLU 15 Ca -0.03 0.13 -0.02 0.00 0.01 0.00 0.00 54.97 55.06 1ozi s GLU 15 Cb -0.02 -3.97 -0.01 0.00 -4.31 0.00 0.00 34.13 25.82 1ozi s GLU 15 CO -0.00 -1.38 -0.08 0.54 0.01 0.00 0.00 175.26 174.36 1ozi s VAL 16 N 4.08 3.34 -0.35 2.63 0.11 -0.33 -5.00 120.40 124.89 1ozi s VAL 16 Ca 0.38 -0.53 -0.12 0.00 -2.93 0.00 0.00 61.98 58.78 1ozi s VAL 16 Cb -0.10 -2.47 0.00 0.00 -1.53 0.00 0.00 36.38 32.29 1ozi s VAL 16 CO 0.25 0.48 0.21 -0.70 -3.33 0.00 0.00 175.10 172.01 1ozi s GLU 17 N 0.82 3.23 -0.27 1.54 2.12 -1.26 -0.40 118.70 124.48 1ozi s GLU 17 Ca -0.03 -0.81 -0.06 0.00 0.36 0.00 0.00 54.97 54.44 1ozi s GLU 17 Cb -0.15 -3.73 0.00 0.00 0.26 0.00 0.00 34.13 30.51 1ozi s GLU 17 CO 0.01 -0.53 0.04 -1.17 -0.54 0.00 0.00 175.26 173.07 1ozi s LEU 18 N 1.64 3.56 -0.29 2.70 1.98 0.95 -4.95 118.68 124.27 1ozi s LEU 18 Ca 0.05 -0.62 -0.15 0.00 -2.89 0.00 0.00 54.13 50.52 1ozi s LEU 18 Cb -0.18 -1.83 -0.03 0.00 0.66 0.00 0.00 46.19 44.81 1ozi s LEU 18 CO 0.08 -0.14 0.36 0.00 -1.89 0.00 0.00 176.35 174.76 1ozi s ALA 19 N 1.49 3.54 0.01 5.97 0.00 -1.26 -0.61 121.76 130.89 1ozi s ALA 19 Ca 0.03 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 1ozi s ALA 19 Cb -0.16 -2.73 -0.09 0.00 0.00 0.00 0.00 23.12 20.14 1ozi s ALA 19 CO 0.01 -0.78 1.99 1.63 0.00 0.00 0.00 175.76 178.61 1ozi n LYS 20 N 5.34 2.76 0.02 0.00 5.02 0.11 -4.84 118.16 126.56 1ozi n LYS 20 Ca -0.09 1.00 -0.01 0.00 -2.02 0.00 0.00 58.31 57.19 1ozi n LYS 20 Cb 0.50 -3.00 -0.00 0.00 -0.02 0.00 0.00 35.03 32.51 1ozi n LYS 20 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1ozi h THR 21 N 5.73 0.00 0.00 -0.18 2.02 -1.48 -3.47 112.91 115.53 1ozi h THR 21 Ca -0.49 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1ozi h THR 21 Cb 1.24 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1ozi h THR 21 CO 0.94 0.00 0.00 -0.67 0.37 0.00 0.00 175.52 176.16 1ozi n ASP 22 N -2.76 0.00 -1.42 4.18 -0.08 -1.11 -4.88 116.55 110.49 1ozi n ASP 22 Ca -0.01 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.23 1ozi n ASP 22 Cb 0.03 0.27 0.02 0.00 2.34 0.00 0.00 41.12 43.77 1ozi n ASP 22 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ozi n GLY 23 N -0.40 2.69 7.00 0.27 0.00 -1.15 -4.97 105.19 108.64 1ozi n GLY 23 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1ozi n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ozi n SER 24 N 0.78 0.00 0.12 1.61 3.41 -1.25 -3.05 113.62 115.24 1ozi n SER 24 Ca 0.08 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.67 1ozi n SER 24 Cb 0.58 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.69 1ozi n SER 24 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ozi h LEU 25 N 0.00 0.06 0.00 1.04 -0.00 -1.93 -3.13 115.31 111.35 1ozi h LEU 25 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1ozi h LEU 25 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 1ozi h LEU 25 CO 0.00 0.66 0.00 0.61 -0.00 0.00 0.00 178.44 179.71 1ozi n GLY 26 N 0.26 0.41 3.01 0.83 0.00 -1.17 -0.82 105.19 107.70 1ozi n GLY 26 Ca -0.01 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 1ozi n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ozi s ILE 27 N -2.00 0.54 -0.30 -0.61 -4.36 -1.26 0.02 121.20 113.22 1ozi s ILE 27 Ca 0.00 -0.54 -0.14 0.00 -0.26 0.00 0.00 60.65 59.70 1ozi s ILE 27 Cb 0.00 -0.50 -0.03 0.00 1.25 0.00 0.00 42.46 43.18 1ozi s ILE 27 CO 0.00 -0.02 0.33 -0.55 0.24 0.00 0.00 174.94 174.94 1ozi s SER 28 N -0.62 6.18 -0.00 4.36 0.15 0.13 -4.90 113.70 119.00 1ozi s SER 28 Ca -0.01 0.01 0.04 0.00 0.70 0.00 0.00 55.95 56.69 1ozi s SER 28 Cb -0.05 -2.19 -0.01 0.00 -1.71 0.00 0.00 66.02 62.06 1ozi s SER 28 CO 0.00 -0.22 -0.12 0.54 1.20 0.00 0.00 173.24 174.63 1ozi s VAL 29 N 1.99 0.97 0.07 4.45 0.11 -1.26 0.08 120.40 126.80 1ozi s VAL 29 Ca 0.12 -0.59 0.01 0.00 -2.93 0.00 0.00 61.98 58.60 1ozi s VAL 29 Cb -0.16 -0.82 -0.01 0.00 -1.53 0.00 0.00 36.38 33.87 1ozi s VAL 29 CO 0.11 0.23 0.05 1.07 -3.33 0.00 0.00 175.10 173.22 1ozi n THR 30 N 2.65 0.00 -0.06 5.04 5.66 0.53 -4.69 114.28 123.40 1ozi n THR 30 Ca -0.15 -0.46 -0.12 0.00 -3.05 0.00 0.00 64.05 60.27 1ozi n THR 30 Cb 0.56 0.22 -0.12 0.00 -1.55 0.00 0.00 70.33 69.44 1ozi n THR 30 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1ozi h VAL 31 N 1.19 1.59 0.00 1.08 2.07 -1.80 0.61 116.25 120.98 1ozi h VAL 31 Ca -0.05 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.31 1ozi h VAL 31 Cb 0.23 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1ozi h VAL 31 CO 0.07 0.53 0.00 0.18 0.02 0.00 0.00 177.57 178.37 1ozi n LEU 32 N -4.64 -1.62 0.00 2.57 4.77 -1.26 -1.51 117.00 115.31 1ozi n LEU 32 Ca -0.09 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1ozi n LEU 32 Cb 0.42 1.75 0.00 0.00 -2.33 0.00 0.00 43.42 43.26 1ozi n LEU 32 CO 0.30 0.05 0.00 2.22 -1.33 0.00 0.00 177.39 178.64 1ozi n PHE 33 N -2.97 0.00 -2.79 -1.77 -1.74 -1.26 -4.96 117.46 101.97 1ozi n PHE 33 Ca 0.00 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.46 1ozi n PHE 33 Cb 0.00 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 40.96 1ozi n PHE 33 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1ozi s ASP 34 N 0.00 6.64 -0.00 5.98 2.15 -1.26 -4.91 116.67 125.27 1ozi s ASP 34 Ca 0.00 0.49 -0.00 0.00 0.43 0.00 0.00 52.55 53.47 1ozi s ASP 34 Cb 0.00 -2.47 -0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1ozi s ASP 34 CO 0.00 -0.93 -0.00 1.17 -0.17 0.00 0.00 175.17 175.24 1ozi n LYS 35 N 6.94 0.00 0.00 4.34 4.81 -1.26 -5.09 118.16 127.90 1ozi n LYS 35 Ca 0.07 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 1ozi n LYS 35 Cb 0.48 -0.65 0.00 0.00 0.02 0.00 0.00 35.03 34.88 1ozi n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ozi n GLY 36 N 1.64 1.03 1.92 3.14 0.00 -1.26 -4.43 105.19 107.24 1ozi n GLY 36 Ca -0.00 -1.64 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 1ozi n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ozi n GLY 37 N 0.00 3.73 3.25 -0.02 0.00 -1.26 -4.75 105.19 106.14 1ozi n GLY 37 Ca 0.00 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 1ozi n GLY 37 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ozi s VAL 38 N -2.64 5.09 -0.18 1.61 -7.23 -1.26 -4.76 120.40 111.03 1ozi s VAL 38 Ca 0.46 -2.95 -0.02 0.00 -1.81 0.00 0.00 61.98 57.66 1ozi s VAL 38 Cb 0.38 -4.15 0.01 0.00 0.56 0.00 0.00 36.38 33.18 1ozi s VAL 38 CO 0.10 -1.03 0.04 -3.20 -0.31 0.00 0.00 175.10 170.70 1ozi n ASN 39 N 3.40 -4.51 -1.30 4.85 5.15 -1.26 -4.96 115.26 116.63 1ozi n ASN 39 Ca 0.15 0.90 0.09 0.00 -0.60 0.00 0.00 54.58 55.13 1ozi n ASN 39 Cb 0.42 -3.75 0.31 0.00 -0.53 0.00 0.00 39.78 36.23 1ozi n ASN 39 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1ozi n THR 40 N 0.62 1.53 0.78 -0.44 5.66 -1.26 -4.29 114.28 116.86 1ozi n THR 40 Ca -0.07 -1.18 0.02 0.00 -3.05 0.00 0.00 64.05 59.78 1ozi n THR 40 Cb 0.11 0.25 0.11 0.00 -1.55 0.00 0.00 70.33 69.25 1ozi n THR 40 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ozi n SER 41 N 1.00 1.91 -4.92 1.09 2.88 -1.26 -4.84 113.62 109.48 1ozi n SER 41 Ca 0.23 -2.17 -0.29 0.00 -1.33 0.00 0.00 58.87 55.31 1ozi n SER 41 Cb 0.74 -0.41 -0.04 0.00 -0.75 0.00 0.00 64.21 63.76 1ozi n SER 41 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1ozi s VAL 42 N -1.58 5.18 -0.55 2.46 -7.23 -1.26 -5.04 120.40 112.38 1ozi s VAL 42 Ca 0.15 -0.22 -0.18 0.00 -1.81 0.00 0.00 61.98 59.92 1ozi s VAL 42 Cb 0.10 -3.70 0.10 0.00 0.56 0.00 0.00 36.38 33.44 1ozi s VAL 42 CO 0.06 -0.13 0.61 -0.13 -0.31 0.00 0.00 175.10 175.20 1ozi s ARG 43 N -3.17 3.04 0.23 4.82 3.00 -1.26 -4.90 118.95 120.70 1ozi s ARG 43 Ca 0.40 -1.36 -0.06 0.00 0.00 0.00 0.00 55.73 54.71 1ozi s ARG 43 Cb -0.11 -4.24 0.21 0.00 0.00 0.00 0.00 34.95 30.81 1ozi s ARG 43 CO 0.28 -1.39 1.75 0.45 0.00 0.00 0.00 175.30 176.39 1ozi h HIS 44 N 9.04 1.07 0.00 -0.53 3.86 -1.96 -3.46 115.15 123.17 1ozi h HIS 44 Ca -0.29 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1ozi h HIS 44 Cb 1.09 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.26 1ozi h HIS 44 CO 0.78 0.89 0.00 0.41 0.86 0.00 0.00 177.93 180.87 1ozi n GLY 45 N -0.70 2.16 0.00 2.45 0.00 -1.26 -4.48 105.19 103.35 1ozi n GLY 45 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1ozi n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ozi n GLY 46 N 0.00 0.60 3.04 -0.02 0.00 -1.25 -4.60 105.19 102.95 1ozi n GLY 46 Ca 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1ozi n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ozi s ILE 47 N 0.00 0.13 -0.00 -0.61 -1.09 -0.21 -4.57 121.20 114.84 1ozi s ILE 47 Ca 0.00 -1.08 0.00 0.00 -2.23 0.00 0.00 60.65 57.34 1ozi s ILE 47 Cb 0.00 -0.61 0.00 0.00 -1.58 0.00 0.00 42.46 40.27 1ozi s ILE 47 CO 0.00 -0.59 -0.00 -0.47 -1.23 0.00 0.00 174.94 172.64 1ozi s TYR 48 N -2.09 0.08 -0.64 3.97 5.04 0.21 0.10 117.35 124.02 1ozi s TYR 48 Ca -0.10 0.01 -0.28 0.00 -2.44 0.00 0.00 57.07 54.26 1ozi s TYR 48 Cb -0.05 -0.09 0.02 0.00 0.35 0.00 0.00 41.96 42.19 1ozi s TYR 48 CO -0.03 -0.02 1.32 0.08 -1.34 0.00 0.00 175.55 175.56 1ozi s VAL 49 N 0.18 3.80 0.13 3.14 1.01 0.10 -0.35 120.40 128.42 1ozi s VAL 49 Ca -0.01 0.61 -0.12 0.00 0.00 0.00 0.00 61.98 62.45 1ozi s VAL 49 Cb -0.03 -4.69 -0.04 0.00 0.00 0.00 0.00 36.38 31.63 1ozi s VAL 49 CO -0.01 -1.48 1.49 0.50 0.00 0.00 0.00 175.10 175.61 1ozi h LYS 50 N 10.43 0.86 -2.95 2.72 3.64 -0.66 -0.06 116.57 130.55 1ozi h LYS 50 Ca -0.27 -0.40 -0.02 0.00 -1.27 0.00 0.00 60.65 58.69 1ozi h LYS 50 Cb 1.07 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.75 1ozi h LYS 50 CO 1.22 1.05 0.20 0.00 -2.27 0.00 0.00 179.45 179.65 1ozi s ALA 51 N -4.54 -1.59 -0.09 5.00 0.00 -0.78 -4.64 121.76 115.10 1ozi s ALA 51 Ca -0.12 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.38 1ozi s ALA 51 Cb 0.11 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 1ozi s ALA 51 CO 0.85 -0.74 -0.12 0.42 0.00 0.00 0.00 175.76 176.17 1ozi s ILE 52 N -3.59 3.21 -0.03 0.00 -1.09 -1.26 0.19 121.20 118.62 1ozi s ILE 52 Ca 0.00 -0.64 -0.30 0.00 -2.23 0.00 0.00 60.65 57.49 1ozi s ILE 52 Cb -0.01 -2.31 -0.03 0.00 -1.58 0.00 0.00 42.46 38.53 1ozi s ILE 52 CO -0.12 0.56 1.01 -0.63 -1.23 0.00 0.00 174.94 174.53 1ozi s ILE 53 N -0.19 4.76 0.06 2.92 1.09 0.10 -4.92 121.20 125.03 1ozi s ILE 53 Ca 0.01 2.00 0.18 0.00 -1.10 0.00 0.00 60.65 61.74 1ozi s ILE 53 Cb -0.13 -4.28 0.18 0.00 -1.06 0.00 0.00 42.46 37.17 1ozi s ILE 53 CO 0.03 0.10 1.50 -0.65 -0.10 0.00 0.00 174.94 175.83 1ozi h PRO 54 N 6.92 0.00 0.00 2.79 0.11 -1.99 -3.10 132.00 136.73 1ozi h PRO 54 Ca -0.38 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.52 1ozi h PRO 54 Cb 1.19 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.16 1ozi h PRO 54 CO 0.79 0.00 -0.39 1.17 -0.21 0.00 0.00 178.00 179.36 1ozi n LYS 55 N -2.24 0.80 -0.02 1.05 3.00 -1.26 -4.75 118.16 114.74 1ozi n LYS 55 Ca -0.01 -1.67 -0.06 0.00 -0.00 0.00 0.00 58.31 56.57 1ozi n LYS 55 Cb 0.24 -1.07 -0.02 0.00 0.00 0.00 0.00 35.03 34.19 1ozi n LYS 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ozi n GLY 56 N 0.93 -0.15 0.00 3.14 0.00 -1.17 -4.35 105.19 103.59 1ozi n GLY 56 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ozi n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ozi n ALA 57 N -3.53 0.00 -0.32 4.61 0.00 -1.23 -2.74 120.51 117.30 1ozi n ALA 57 Ca -0.10 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.54 1ozi n ALA 57 Cb 0.41 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.32 1ozi n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ozi h ALA 58 N 0.00 2.09 0.03 0.00 0.00 -1.19 0.98 119.26 121.17 1ozi h ALA 58 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1ozi h ALA 58 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ozi h ALA 58 CO 0.00 -0.49 -0.19 1.49 0.00 0.00 0.00 179.25 180.06 1ozi h GLU 59 N 0.47 0.08 -0.16 0.00 4.22 -1.78 -0.55 114.58 116.86 1ozi h GLU 59 Ca 0.59 -0.12 -0.16 0.00 0.08 0.00 0.00 59.36 59.74 1ozi h GLU 59 Cb 1.35 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 1ozi h GLU 59 CO -0.32 1.01 -0.58 0.77 -2.18 0.00 0.00 179.01 177.70 1ozi h SER 60 N -0.78 0.59 0.26 1.04 0.02 -1.48 -2.16 113.55 111.04 1ozi h SER 60 Ca -0.03 -0.33 -0.25 0.00 -0.84 0.00 0.00 61.79 60.34 1ozi h SER 60 Cb 1.10 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 63.48 1ozi h SER 60 CO 0.04 1.04 -1.04 -0.78 -1.14 0.00 0.00 176.83 174.95 1ozi h ASP 61 N 0.40 0.66 -2.64 3.07 3.58 0.82 -3.49 116.42 118.81 1ozi h ASP 61 Ca 0.00 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 56.90 1ozi h ASP 61 Cb 1.13 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1ozi h ASP 61 CO 0.11 1.36 0.00 0.61 -2.88 0.00 0.00 179.24 178.44 1ozi n GLY 62 N 1.09 -0.42 1.40 -0.78 0.00 -0.27 -5.03 105.19 101.18 1ozi n GLY 62 Ca -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1ozi n GLY 62 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ozi n ARG 63 N -0.57 0.00 -3.17 1.61 1.85 -0.84 -5.03 116.66 110.51 1ozi n ARG 63 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.46 1ozi n ARG 63 Cb 0.13 -0.02 -0.05 0.00 -1.05 0.00 0.00 32.46 31.47 1ozi n ARG 63 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1ozi s ILE 64 N -1.70 5.00 0.34 8.89 1.01 -1.23 -5.06 121.20 128.45 1ozi s ILE 64 Ca 0.00 1.26 0.10 0.00 0.00 0.00 0.00 60.65 62.01 1ozi s ILE 64 Cb 0.00 -3.95 -0.06 0.00 0.01 0.00 0.00 42.46 38.46 1ozi s ILE 64 CO 0.00 0.35 -0.10 -1.00 0.00 0.00 0.00 174.94 174.18 1ozi s HIS 65 N 0.29 2.38 0.16 3.97 3.76 -1.26 -4.30 115.29 120.28 1ozi s HIS 65 Ca 0.32 -0.49 -0.31 0.00 -0.15 0.00 0.00 55.06 54.42 1ozi s HIS 65 Cb -0.17 -1.35 -0.10 0.00 1.11 0.00 0.00 32.58 32.07 1ozi s HIS 65 CO 0.16 0.58 1.62 0.21 -0.85 0.00 0.00 174.74 176.47 1ozi s LYS 66 N -3.61 4.19 0.00 1.40 2.20 -1.26 -2.18 119.74 120.48 1ozi s LYS 66 Ca 0.32 2.41 0.00 0.00 -0.36 0.00 0.00 55.97 58.35 1ozi s LYS 66 Cb 0.02 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 1ozi s LYS 66 CO 0.16 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 174.90 1ozi n GLY 67 N 3.86 0.21 3.77 5.54 0.00 -0.04 -4.68 105.19 113.85 1ozi n GLY 67 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1ozi n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ozi s ASP 68 N -2.23 6.76 -0.03 1.61 1.01 -0.93 -1.75 116.67 121.10 1ozi s ASP 68 Ca 0.00 2.70 -0.06 0.00 0.71 0.00 0.00 52.55 55.90 1ozi s ASP 68 Cb 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 1ozi s ASP 68 CO 0.00 -0.55 0.22 -0.60 0.21 0.00 0.00 175.17 174.45 1ozi s ARG 69 N -1.75 3.52 -0.23 8.23 3.52 0.34 0.03 118.95 132.60 1ozi s ARG 69 Ca 0.49 -0.14 -0.05 0.00 -0.13 0.00 0.00 55.73 55.91 1ozi s ARG 69 Cb -0.40 -3.12 -0.02 0.00 -1.56 0.00 0.00 34.95 29.86 1ozi s ARG 69 CO 0.53 0.69 -0.00 0.08 -0.81 0.00 0.00 175.30 175.79 1ozi s VAL 70 N -1.23 3.70 -0.20 7.11 1.01 0.29 0.30 120.40 131.38 1ozi s VAL 70 Ca 0.24 -0.38 0.11 0.00 0.00 0.00 0.00 61.98 61.95 1ozi s VAL 70 Cb -0.13 -2.70 -0.20 0.00 0.00 0.00 0.00 36.38 33.35 1ozi s VAL 70 CO 0.14 0.39 -0.04 0.18 0.00 0.00 0.00 175.10 175.77 1ozi n LEU 71 N 4.84 1.13 -3.70 3.92 4.77 0.28 -1.05 117.00 127.20 1ozi n LEU 71 Ca -0.17 -0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.66 1ozi n LEU 71 Cb 0.51 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 1ozi n LEU 71 CO 0.30 0.62 0.09 0.00 -1.33 0.00 0.00 177.39 177.07 1ozi s ALA 72 N -2.46 -0.73 -0.33 -1.18 0.00 -0.55 -2.93 121.76 113.58 1ozi s ALA 72 Ca -0.18 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1ozi s ALA 72 Cb 0.06 0.64 0.08 0.00 0.00 0.00 0.00 23.12 23.90 1ozi s ALA 72 CO 0.68 -0.61 0.05 0.54 0.00 0.00 0.00 175.76 176.42 1ozi s VAL 73 N -3.82 2.73 -1.46 0.00 0.11 0.13 0.66 120.40 118.76 1ozi s VAL 73 Ca 0.04 -1.87 -0.10 0.00 -2.93 0.00 0.00 61.98 57.12 1ozi s VAL 73 Cb 0.03 -2.78 0.05 0.00 -1.53 0.00 0.00 36.38 32.15 1ozi s VAL 73 CO -0.12 -0.38 0.80 -3.20 -3.33 0.00 0.00 175.10 168.87 1ozi n ASN 74 N 4.48 -5.17 0.00 3.54 5.15 0.12 -0.37 115.26 123.01 1ozi n ASN 74 Ca -0.06 -0.52 0.00 0.00 -0.60 0.00 0.00 54.58 53.40 1ozi n ASN 74 Cb 0.42 -4.15 0.00 0.00 -0.53 0.00 0.00 39.78 35.52 1ozi n ASN 74 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ozi n GLY 75 N -1.58 3.28 3.61 8.20 0.00 -1.26 -5.03 105.19 112.41 1ozi n GLY 75 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1ozi n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ozi s VAL 76 N -2.84 4.40 -0.40 1.61 1.01 0.50 -4.94 120.40 119.74 1ozi s VAL 76 Ca 0.00 1.39 -0.29 0.00 0.00 0.00 0.00 61.98 63.08 1ozi s VAL 76 Cb 0.00 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.90 1ozi s VAL 76 CO 0.00 -0.73 1.54 -0.55 0.00 0.00 0.00 175.10 175.36 1ozi s SER 77 N 2.05 6.17 -0.46 3.32 0.15 -1.26 0.21 113.70 123.89 1ozi s SER 77 Ca 0.45 0.94 0.02 0.00 0.70 0.00 0.00 55.95 58.06 1ozi s SER 77 Cb -0.10 -2.54 0.53 0.00 -1.71 0.00 0.00 66.02 62.21 1ozi s SER 77 CO 0.23 -1.55 1.88 0.00 1.20 0.00 0.00 173.24 175.01 1ozi n LEU 78 N 9.36 6.66 0.20 3.45 -0.00 -1.15 -4.54 117.00 130.98 1ozi n LEU 78 Ca 0.18 -3.58 0.13 0.00 -0.00 0.00 0.00 56.01 52.74 1ozi n LEU 78 Cb 0.48 -0.86 0.72 0.00 -0.00 0.00 0.00 43.42 43.75 1ozi n LEU 78 CO 0.70 1.12 1.12 1.05 -0.00 0.00 0.00 177.39 181.37 1ozi h GLU 79 N 1.19 0.00 -0.40 1.47 4.11 -1.81 -1.59 114.58 117.54 1ozi h GLU 79 Ca 0.56 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.76 1ozi h GLU 79 Cb 2.09 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 31.20 1ozi h GLU 79 CO 1.11 0.00 -0.10 0.41 0.07 0.00 0.00 179.01 180.50 1ozi n GLY 80 N -1.51 5.05 0.00 1.06 0.00 -1.26 -4.50 105.19 104.02 1ozi n GLY 80 Ca 0.01 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1ozi n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ozi n ALA 81 N -1.10 0.00 -2.59 4.61 0.00 -0.60 -5.14 120.51 115.69 1ozi n ALA 81 Ca 0.35 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.63 1ozi n ALA 81 Cb 1.02 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.41 1ozi n ALA 81 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ozi s THR 82 N 1.14 0.00 0.16 0.00 -1.32 -1.26 -4.95 115.64 109.41 1ozi s THR 82 Ca 0.00 -1.79 -0.22 0.00 -1.21 0.00 0.00 61.69 58.47 1ozi s THR 82 Cb 0.00 -2.56 0.06 0.00 -1.51 0.00 0.00 72.50 68.49 1ozi s THR 82 CO 0.00 0.00 1.62 -0.74 -2.21 0.00 0.00 174.62 173.29 1ozi h HIS 83 N 2.17 -0.67 -0.24 9.09 2.76 -1.87 0.25 115.15 126.64 1ozi h HIS 83 Ca -0.28 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 57.95 1ozi h HIS 83 Cb 1.24 0.34 -0.02 0.00 1.55 0.00 0.00 27.41 30.53 1ozi h HIS 83 CO 1.44 -0.33 0.13 0.87 -1.30 0.00 0.00 177.93 178.74 1ozi h LYS 84 N -0.22 0.27 -0.54 5.26 1.57 -1.97 -2.68 116.57 118.26 1ozi h LYS 84 Ca 0.16 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1ozi h LYS 84 Cb 0.48 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1ozi h LYS 84 CO -0.45 0.18 0.15 1.96 -0.57 0.00 0.00 179.45 180.72 1ozi h GLN 85 N 0.28 0.85 0.06 3.15 1.08 -1.65 0.21 115.11 119.09 1ozi h GLN 85 Ca 0.09 -0.19 0.02 0.00 -1.45 0.00 0.00 58.65 57.11 1ozi h GLN 85 Cb 0.00 -0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.26 1ozi h GLN 85 CO -0.05 0.79 -0.52 0.00 -0.95 0.00 0.00 178.83 178.10 1ozi h ALA 86 N 1.02 -0.97 -0.11 3.87 0.00 -0.49 0.13 119.26 122.71 1ozi h ALA 86 Ca 0.17 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ozi h ALA 86 Cb 0.31 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1ozi h ALA 86 CO -0.00 -1.11 -0.25 0.28 0.00 0.00 0.00 179.25 178.17 1ozi h VAL 87 N -0.70 1.23 -0.17 0.00 2.07 -1.18 -2.36 116.25 115.14 1ozi h VAL 87 Ca 0.00 -1.06 -0.12 0.00 0.82 0.00 0.00 66.70 66.34 1ozi h VAL 87 Cb 0.72 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1ozi h VAL 87 CO -0.31 0.32 -0.43 -0.33 0.02 0.00 0.00 177.57 176.83 1ozi h GLU 88 N 0.18 0.40 -0.58 1.57 4.39 -0.07 0.82 114.58 121.29 1ozi h GLU 88 Ca 0.03 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.45 1ozi h GLU 88 Cb 0.54 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1ozi h GLU 88 CO 0.04 0.76 0.06 1.15 -1.16 0.00 0.00 179.01 179.85 1ozi h THR 89 N 0.33 1.25 0.00 1.13 2.02 -0.27 0.18 112.91 117.55 1ozi h THR 89 Ca 0.03 -1.02 -0.05 0.00 0.77 0.00 0.00 66.41 66.14 1ozi h THR 89 Cb 0.89 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1ozi h THR 89 CO 0.07 0.37 -0.22 -0.07 0.37 0.00 0.00 175.52 176.04 1ozi h LEU 90 N 0.90 0.00 0.01 2.58 3.38 -0.86 -1.43 115.31 119.89 1ozi h LEU 90 Ca 0.18 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.90 1ozi h LEU 90 Cb 0.44 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1ozi h LEU 90 CO 0.02 0.22 -1.31 0.03 0.09 0.00 0.00 178.44 177.49 1ozi h ARG 91 N 0.00 0.02 -0.50 1.13 3.08 -0.13 -3.29 114.38 114.69 1ozi h ARG 91 Ca -0.00 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 1ozi h ARG 91 Cb 0.81 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 1ozi h ARG 91 CO 0.03 0.83 -0.07 -0.97 -1.07 0.00 0.00 179.97 178.71 1ozi h ASN 92 N 0.01 0.94 -4.20 7.04 -0.73 -0.21 -3.43 115.58 114.99 1ozi h ASN 92 Ca -0.13 -0.34 -0.51 0.00 1.87 0.00 0.00 56.30 57.19 1ozi h ASN 92 Cb 1.88 -0.25 0.11 0.00 0.27 0.00 0.00 38.32 40.33 1ozi h ASN 92 CO 0.11 1.06 0.37 0.42 -0.37 0.00 0.00 177.43 179.02 1ozi s THR 93 N -4.88 3.14 0.00 -3.57 -4.23 -0.58 -5.04 115.64 100.47 1ozi s THR 93 Ca -0.12 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 1ozi s THR 93 Cb 0.12 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.91 1ozi s THR 93 CO 0.84 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 175.20 1ozi n GLY 94 N -0.43 -0.90 0.17 3.99 0.00 -1.26 -4.91 105.19 101.85 1ozi n GLY 94 Ca 0.11 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 1ozi n GLY 94 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1ozi h GLN 95 N 0.00 0.45 -4.72 1.61 4.15 -1.94 -3.40 115.11 111.26 1ozi h GLN 95 Ca 0.00 -0.41 -0.69 0.00 0.77 0.00 0.00 58.65 58.32 1ozi h GLN 95 Cb 0.00 0.10 -0.28 0.00 0.21 0.00 0.00 27.48 27.51 1ozi h GLN 95 CO 0.00 1.06 -0.62 0.08 -1.93 0.00 0.00 178.83 177.42 1ozi s VAL 96 N -3.50 3.76 0.03 2.39 1.01 -1.26 0.08 120.40 122.91 1ozi s VAL 96 Ca -0.06 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 60.92 1ozi s VAL 96 Cb 0.10 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1ozi s VAL 96 CO 0.86 -0.10 -0.04 -0.69 0.00 0.00 0.00 175.10 175.13 1ozi s VAL 97 N 1.42 3.81 -0.12 2.92 1.01 0.22 -4.95 120.40 124.71 1ozi s VAL 97 Ca -0.01 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 1ozi s VAL 97 Cb -0.19 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1ozi s VAL 97 CO 0.02 0.30 -0.05 -2.28 0.00 0.00 0.00 175.10 173.09 1ozi s HIS 98 N -1.11 2.99 0.10 5.22 2.46 -1.26 -0.04 115.29 123.66 1ozi s HIS 98 Ca 0.20 -0.16 0.05 0.00 0.47 0.00 0.00 55.06 55.62 1ozi s HIS 98 Cb -0.11 -1.85 -0.03 0.00 -0.13 0.00 0.00 32.58 30.46 1ozi s HIS 98 CO 0.11 0.13 -0.14 -0.51 -2.47 0.00 0.00 174.74 171.87 1ozi s LEU 99 N -0.18 2.37 -0.37 8.88 1.02 0.47 0.14 118.68 131.01 1ozi s LEU 99 Ca 0.03 -0.75 -0.10 0.00 0.02 0.00 0.00 54.13 53.33 1ozi s LEU 99 Cb -0.13 -0.50 0.03 0.00 0.02 0.00 0.00 46.19 45.61 1ozi s LEU 99 CO 0.03 -0.14 0.18 -0.22 0.02 0.00 0.00 176.35 176.21 1ozi s LEU 100 N -2.24 4.63 0.44 1.79 1.98 0.21 -1.19 118.68 124.29 1ozi s LEU 100 Ca 0.05 -1.07 0.07 0.00 -2.89 0.00 0.00 54.13 50.29 1ozi s LEU 100 Cb -0.06 -1.98 -0.03 0.00 0.66 0.00 0.00 46.19 44.78 1ozi s LEU 100 CO 0.02 -0.38 0.27 -0.76 -1.89 0.00 0.00 176.35 173.61 1ozi s LEU 101 N 1.50 3.12 -0.05 -0.68 1.02 -0.11 -0.56 118.68 122.92 1ozi s LEU 101 Ca 0.01 -1.02 0.03 0.00 0.02 0.00 0.00 54.13 53.17 1ozi s LEU 101 Cb -0.19 -1.57 0.01 0.00 0.02 0.00 0.00 46.19 44.45 1ozi s LEU 101 CO 0.05 -0.66 -0.13 -0.70 0.02 0.00 0.00 176.35 174.93 1ozi s GLU 102 N -4.02 1.61 -0.19 1.70 2.12 0.15 0.03 118.70 120.09 1ozi s GLU 102 Ca 0.41 -0.46 -0.29 0.00 0.36 0.00 0.00 54.97 55.00 1ozi s GLU 102 Cb 0.01 -1.37 -0.05 0.00 0.26 0.00 0.00 34.13 32.98 1ozi s GLU 102 CO 0.23 0.11 2.00 0.21 -0.54 0.00 0.00 175.26 177.28 1ozi s LYS 103 N 0.38 3.47 0.00 4.30 2.47 0.55 -0.51 119.74 130.40 1ozi s LYS 103 Ca -0.09 1.98 0.00 0.00 -1.56 0.00 0.00 55.97 56.30 1ozi s LYS 103 Cb -0.13 -4.25 0.00 0.00 -1.46 0.00 0.00 37.83 31.99 1ozi s LYS 103 CO 0.03 -1.71 0.00 0.41 0.16 0.00 0.00 175.35 174.24 1ozi n GLY 104 N 5.29 0.89 0.00 5.54 0.00 -1.24 -0.62 105.19 115.04 1ozi n GLY 104 Ca 0.25 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1ozi n GLY 104 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ozi n GLN 105 N 0.00 0.00 0.20 1.61 6.02 -0.72 -4.74 117.38 119.75 1ozi n GLN 105 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1ozi n GLN 105 Cb 0.00 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.18 1ozi n GLN 105 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1ozi h VAL 106 N 0.73 0.59 -0.00 5.09 2.07 -1.89 -3.39 116.25 119.45 1ozi h VAL 106 Ca 0.00 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1ozi h VAL 106 Cb 0.00 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1ozi h VAL 106 CO 0.00 0.08 0.00 -2.65 0.02 0.00 0.00 177.57 175.02