#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozi n PRO 10 N 0.00 1.86 0.00 1.97 -0.02 -1.26 -1.91 135.00 135.64 1ozi n PRO 10 Ca 0.00 -2.24 0.00 0.00 -2.02 0.00 0.00 63.50 59.24 1ozi n PRO 10 Cb 0.00 -3.24 0.00 0.00 -0.02 0.00 0.00 33.50 30.24 1ozi n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ozi n GLY 11 N 4.89 0.00 3.91 -1.23 0.00 -0.50 -4.70 105.19 107.57 1ozi n GLY 11 Ca 0.49 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 6.43 -0.02 1.61 2.15 -0.80 -4.56 116.67 121.47 1ozi s ASP 12 Ca 0.00 0.51 -0.22 0.00 0.43 0.00 0.00 52.55 53.27 1ozi s ASP 12 Cb 0.00 -2.06 -0.05 0.00 -0.30 0.00 0.00 42.92 40.52 1ozi s ASP 12 CO 0.00 -0.04 0.64 0.42 -0.17 0.00 0.00 175.17 176.02 1ozi s THR 13 N -1.83 4.95 -0.26 1.71 -4.23 -1.26 -0.56 115.64 114.16 1ozi s THR 13 Ca 0.40 1.33 -0.08 0.00 -1.18 0.00 0.00 61.69 62.16 1ozi s THR 13 Cb -0.11 -3.98 0.12 0.00 1.34 0.00 0.00 72.50 69.86 1ozi s THR 13 CO 0.28 0.35 0.55 0.72 -0.54 0.00 0.00 174.62 175.98 1ozi s PHE 14 N 0.19 -1.12 -0.12 3.99 -0.71 0.01 -4.98 117.98 115.24 1ozi s PHE 14 Ca 0.34 1.95 -0.29 0.00 -1.04 0.00 0.00 56.93 57.88 1ozi s PHE 14 Cb -0.18 0.58 -0.03 0.00 -1.21 0.00 0.00 43.02 42.18 1ozi s PHE 14 CO 0.18 -0.60 1.40 -1.21 -1.34 0.00 0.00 175.22 173.65 1ozi s GLU 15 N 2.77 4.22 -0.12 1.99 2.02 -1.26 -0.64 118.70 127.68 1ozi s GLU 15 Ca -0.03 1.86 -0.13 0.00 0.02 0.00 0.00 54.97 56.69 1ozi s GLU 15 Cb -0.12 -3.84 -0.05 0.00 0.10 0.00 0.00 34.13 30.23 1ozi s GLU 15 CO -0.16 -0.75 0.28 0.14 0.02 0.00 0.00 175.26 174.79 1ozi s VAL 16 N 3.64 5.29 -0.48 2.63 -7.23 0.12 -4.92 120.40 119.45 1ozi s VAL 16 Ca 0.62 0.54 -0.16 0.00 -1.81 0.00 0.00 61.98 61.17 1ozi s VAL 16 Cb -0.26 -3.60 0.08 0.00 0.56 0.00 0.00 36.38 33.15 1ozi s VAL 16 CO 0.20 0.47 0.41 -0.70 -0.31 0.00 0.00 175.10 175.16 1ozi s GLU 17 N -0.08 2.98 -0.24 4.82 2.12 -1.26 -1.68 118.70 125.36 1ozi s GLU 17 Ca 0.17 -1.38 -0.04 0.00 0.36 0.00 0.00 54.97 54.09 1ozi s GLU 17 Cb -0.13 -4.15 0.00 0.00 0.26 0.00 0.00 34.13 30.11 1ozi s GLU 17 CO 0.05 -1.06 -0.03 -1.17 -0.54 0.00 0.00 175.26 172.52 1ozi s LEU 18 N 1.65 3.14 -0.36 2.70 1.98 0.28 -4.97 118.68 123.10 1ozi s LEU 18 Ca 0.04 -0.58 -0.16 0.00 -2.89 0.00 0.00 54.13 50.54 1ozi s LEU 18 Cb -0.25 -1.74 -0.00 0.00 0.66 0.00 0.00 46.19 44.86 1ozi s LEU 18 CO 0.06 -0.08 0.39 0.00 -1.89 0.00 0.00 176.35 174.83 1ozi s ALA 19 N 1.44 3.48 0.28 5.97 0.00 -1.26 -0.36 121.76 131.31 1ozi s ALA 19 Ca 0.04 -1.25 -0.30 0.00 0.00 0.00 0.00 51.96 50.45 1ozi s ALA 19 Cb -0.15 -2.88 -0.13 0.00 0.00 0.00 0.00 23.12 19.96 1ozi s ALA 19 CO -0.03 -1.18 1.44 1.63 0.00 0.00 0.00 175.76 177.62 1ozi n LYS 20 N 5.46 2.27 -0.23 0.00 5.02 0.11 -4.86 118.16 125.94 1ozi n LYS 20 Ca -0.08 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1ozi n LYS 20 Cb 0.49 -2.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 1ozi n LYS 20 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ozi n THR 21 N 1.54 0.00 0.30 -0.18 -2.24 -0.22 -4.80 114.28 108.68 1ozi n THR 21 Ca 0.09 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.04 1ozi n THR 21 Cb 0.34 -1.41 0.76 0.00 -2.10 0.00 0.00 70.33 67.92 1ozi n THR 21 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1ozi h ASP 22 N 0.00 0.00 -0.46 3.42 3.58 -1.95 -1.27 116.42 119.74 1ozi h ASP 22 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ozi h ASP 22 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1ozi h ASP 22 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1ozi n GLY 23 N -0.23 3.36 7.00 -0.78 0.00 -1.26 -5.07 105.19 108.20 1ozi n GLY 23 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1ozi n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ozi n SER 24 N 0.25 -0.43 0.29 1.61 7.64 -0.48 -3.77 113.62 118.73 1ozi n SER 24 Ca 0.25 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.28 1ozi n SER 24 Cb 1.04 0.00 0.89 0.00 -1.01 0.00 0.00 64.21 65.13 1ozi n SER 24 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1ozi h LEU 25 N 0.00 0.00 0.00 -3.43 3.38 -1.89 -0.57 115.31 112.80 1ozi h LEU 25 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ozi h LEU 25 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ozi h LEU 25 CO 0.00 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1ozi n GLY 26 N -1.10 1.52 3.56 0.83 0.00 -1.25 -3.03 105.19 105.73 1ozi n GLY 26 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.92 3.85 -0.16 -0.61 -4.36 -1.26 0.76 121.20 116.50 1ozi s ILE 27 Ca 0.00 -0.40 -0.04 0.00 -0.26 0.00 0.00 60.65 59.95 1ozi s ILE 27 Cb 0.00 -2.62 -0.03 0.00 1.25 0.00 0.00 42.46 41.06 1ozi s ILE 27 CO 0.00 0.56 -0.03 -0.55 0.24 0.00 0.00 174.94 175.16 1ozi s SER 28 N -0.37 4.79 0.10 4.36 0.15 0.05 -4.97 113.70 117.81 1ozi s SER 28 Ca 0.06 -0.15 0.09 0.00 0.70 0.00 0.00 55.95 56.65 1ozi s SER 28 Cb -0.12 -1.79 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 1ozi s SER 28 CO 0.02 0.15 -0.18 0.68 1.20 0.00 0.00 173.24 175.11 1ozi s VAL 29 N 0.49 2.80 0.17 4.45 -7.23 -1.26 0.42 120.40 120.24 1ozi s VAL 29 Ca -0.03 -1.45 0.05 0.00 -1.81 0.00 0.00 61.98 58.73 1ozi s VAL 29 Cb -0.14 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 1ozi s VAL 29 CO 0.03 0.15 -0.09 0.28 -0.31 0.00 0.00 175.10 175.16 1ozi s THR 30 N -1.10 1.21 -0.19 5.32 -1.32 0.13 -4.81 115.64 114.89 1ozi s THR 30 Ca 0.17 -2.07 -0.06 0.00 -1.21 0.00 0.00 61.69 58.52 1ozi s THR 30 Cb -0.11 -1.98 -0.03 0.00 -1.51 0.00 0.00 72.50 68.87 1ozi s THR 30 CO 0.09 -0.64 0.03 0.68 -2.21 0.00 0.00 174.62 172.57 1ozi s VAL 31 N -3.30 4.36 0.33 5.08 -7.23 -1.26 -0.29 120.40 118.09 1ozi s VAL 31 Ca 0.20 -0.18 0.07 0.00 -1.81 0.00 0.00 61.98 60.26 1ozi s VAL 31 Cb 0.03 -2.97 -0.02 0.00 0.56 0.00 0.00 36.38 33.98 1ozi s VAL 31 CO 0.03 0.44 0.38 -0.76 -0.31 0.00 0.00 175.10 174.88 1ozi s LEU 32 N 0.67 3.80 -0.06 1.32 1.43 0.13 -4.96 118.68 121.01 1ozi s LEU 32 Ca 0.01 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 1ozi s LEU 32 Cb -0.14 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.60 1ozi s LEU 32 CO 0.02 -0.38 -0.14 -0.36 0.23 0.00 0.00 176.35 175.72 1ozi s PHE 33 N -2.23 1.52 0.60 0.29 0.08 -1.26 -3.31 117.98 113.67 1ozi s PHE 33 Ca 0.43 -0.51 -0.12 0.00 0.12 0.00 0.00 56.93 56.84 1ozi s PHE 33 Cb -0.08 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.25 1ozi s PHE 33 CO 0.29 -0.23 1.02 0.16 -0.10 0.00 0.00 175.22 176.36 1ozi s ASP 34 N 0.42 6.25 -0.13 1.36 1.47 -1.18 -4.12 116.67 120.74 1ozi s ASP 34 Ca -0.10 1.46 0.17 0.00 1.18 0.00 0.00 52.55 55.25 1ozi s ASP 34 Cb -0.14 -2.48 0.36 0.00 -0.34 0.00 0.00 42.92 40.32 1ozi s ASP 34 CO 0.03 -0.85 1.25 1.17 0.68 0.00 0.00 175.17 177.45 1ozi n LYS 35 N -2.55 2.08 0.00 2.11 3.00 -1.26 -4.91 118.16 116.63 1ozi n LYS 35 Ca 0.06 -2.58 0.00 0.00 -0.00 0.00 0.00 58.31 55.79 1ozi n LYS 35 Cb 0.54 -1.59 0.00 0.00 0.00 0.00 0.00 35.03 33.98 1ozi n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ozi n GLY 36 N -0.94 1.88 3.96 3.14 0.00 -1.26 -4.88 105.19 107.09 1ozi n GLY 36 Ca 0.17 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1ozi n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ozi s GLY 37 N 0.00 1.29 -0.05 -0.02 0.00 -1.26 -5.07 107.32 102.22 1ozi s GLY 37 Ca 0.00 -1.29 -0.07 0.00 0.00 0.00 0.00 44.72 43.36 1ozi s GLY 37 CO 0.00 -1.29 -0.14 1.55 0.00 0.00 0.00 173.10 173.22 1ozi n VAL 38 N -1.44 0.88 0.00 1.40 3.14 -1.26 -4.98 118.33 116.08 1ozi n VAL 38 Ca -0.07 0.27 0.00 0.00 -2.96 0.00 0.00 64.34 61.57 1ozi n VAL 38 Cb 0.57 -1.79 0.00 0.00 -1.06 0.00 0.00 33.84 31.56 1ozi n VAL 38 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1ozi n ASN 39 N -3.51 0.00 0.00 6.55 2.85 -1.26 -3.74 115.26 116.15 1ozi n ASN 39 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1ozi n ASN 39 Cb 0.21 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.23 1ozi n ASN 39 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 1ozi n THR 40 N 0.00 0.00 0.47 -0.44 5.66 -1.26 -5.01 114.28 113.70 1ozi n THR 40 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 1ozi n THR 40 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1ozi n THR 40 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1ozi n SER 41 N 0.00 3.79 -4.04 1.09 7.64 -1.25 -4.81 113.62 116.05 1ozi n SER 41 Ca 0.00 -2.17 -0.13 0.00 1.01 0.00 0.00 58.87 57.58 1ozi n SER 41 Cb 0.00 -0.71 -0.12 0.00 -1.01 0.00 0.00 64.21 62.37 1ozi n SER 41 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ozi s VAL 42 N -0.09 0.47 -0.80 0.44 0.11 -1.26 -5.05 120.40 114.22 1ozi s VAL 42 Ca 0.01 -0.91 0.02 0.00 -2.93 0.00 0.00 61.98 58.17 1ozi s VAL 42 Cb 0.01 -0.53 0.23 0.00 -1.53 0.00 0.00 36.38 34.57 1ozi s VAL 42 CO 0.00 -0.31 0.82 -2.11 -3.33 0.00 0.00 175.10 170.18 1ozi n ARG 43 N 1.73 2.73 -2.17 1.54 1.85 -1.26 -4.83 116.66 116.24 1ozi n ARG 43 Ca -0.21 -4.57 -0.26 0.00 -1.00 0.00 0.00 57.85 51.81 1ozi n ARG 43 Cb 0.55 -2.35 0.07 0.00 -1.05 0.00 0.00 32.46 29.68 1ozi n ARG 43 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 1ozi s HIS 44 N -2.00 2.96 0.00 2.89 -3.43 -1.26 -4.05 115.29 110.40 1ozi s HIS 44 Ca 0.32 0.51 0.00 0.00 -0.80 0.00 0.00 55.06 55.09 1ozi s HIS 44 Cb 0.03 -3.19 0.00 0.00 -1.43 0.00 0.00 32.58 27.99 1ozi s HIS 44 CO -0.06 -1.40 0.00 0.41 -2.00 0.00 0.00 174.74 171.69 1ozi n GLY 45 N -2.94 0.46 0.00 -1.38 0.00 -1.26 -4.79 105.19 95.28 1ozi n GLY 45 Ca 0.08 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.33 3.67 -0.02 0.00 -1.21 -3.08 105.19 104.22 1ozi n GLY 46 Ca 0.00 0.49 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 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 0.89 4.85 -0.09 -0.61 -1.09 -1.19 0.19 121.20 124.14 1ozi s ILE 47 Ca 0.00 1.68 0.03 0.00 -2.23 0.00 0.00 60.65 60.13 1ozi s ILE 47 Cb 0.00 -4.16 0.01 0.00 -1.58 0.00 0.00 42.46 36.73 1ozi s ILE 47 CO 0.00 -0.00 -0.17 -0.47 -1.23 0.00 0.00 174.94 173.06 1ozi s TYR 48 N 2.31 2.03 -0.39 3.97 5.04 0.60 0.48 117.35 131.40 1ozi s TYR 48 Ca 0.39 -0.87 -0.29 0.00 -2.44 0.00 0.00 57.07 53.86 1ozi s TYR 48 Cb -0.16 -1.43 0.01 0.00 0.35 0.00 0.00 41.96 40.73 1ozi s TYR 48 CO 0.12 -0.41 1.43 0.08 -1.34 0.00 0.00 175.55 175.43 1ozi s VAL 49 N 0.69 3.90 0.03 3.14 1.01 0.37 0.18 120.40 129.72 1ozi s VAL 49 Ca -0.13 0.93 -0.05 0.00 0.00 0.00 0.00 61.98 62.74 1ozi s VAL 49 Cb -0.16 -4.14 -0.29 0.00 0.00 0.00 0.00 36.38 31.79 1ozi s VAL 49 CO 0.03 -0.69 0.97 0.50 0.00 0.00 0.00 175.10 175.91 1ozi h LYS 50 N 10.67 0.29 -3.04 2.72 3.64 -0.35 0.29 116.57 130.80 1ozi h LYS 50 Ca -0.28 -0.49 -0.01 0.00 -1.27 0.00 0.00 60.65 58.60 1ozi h LYS 50 Cb 1.11 0.18 -0.11 0.00 -0.41 0.00 0.00 32.23 33.00 1ozi h LYS 50 CO 1.07 1.19 0.19 0.00 -2.27 0.00 0.00 179.45 179.63 1ozi s ALA 51 N -2.63 -1.50 -0.24 5.00 0.00 -0.93 -4.67 121.76 116.79 1ozi s ALA 51 Ca -0.07 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 1ozi s ALA 51 Cb 0.07 0.87 0.03 0.00 0.00 0.00 0.00 23.12 24.08 1ozi s ALA 51 CO 0.87 -0.79 -0.09 0.42 0.00 0.00 0.00 175.76 176.18 1ozi s ILE 52 N -3.77 2.69 0.00 0.00 -1.09 -1.25 -0.77 121.20 117.00 1ozi s ILE 52 Ca 0.02 -1.05 0.00 0.00 -2.23 0.00 0.00 60.65 57.39 1ozi s ILE 52 Cb -0.01 -2.35 0.00 0.00 -1.58 0.00 0.00 42.46 38.52 1ozi s ILE 52 CO -0.11 0.24 0.00 -0.38 -1.23 0.00 0.00 174.94 173.46 1ozi n ILE 53 N 4.64 0.00 -3.31 2.92 -0.00 0.23 -4.99 119.36 118.84 1ozi n ILE 53 Ca -0.17 0.00 -0.38 0.00 -0.00 0.00 0.00 62.75 62.20 1ozi n ILE 53 Cb 0.47 -0.45 -0.06 0.00 -0.00 0.00 0.00 39.64 39.60 1ozi n ILE 53 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1ozi s PRO 54 N 0.00 4.33 0.00 0.38 0.05 -1.26 -4.57 135.00 133.93 1ozi s PRO 54 Ca 0.00 0.44 0.00 0.00 0.05 0.00 0.00 61.00 61.49 1ozi s PRO 54 Cb 0.00 -3.44 0.00 0.00 0.05 0.00 0.00 34.50 31.11 1ozi s PRO 54 CO 0.00 0.15 0.00 1.63 0.05 0.00 0.00 177.00 178.83 1ozi n LYS 55 N 3.71 0.00 0.00 4.56 4.76 -1.26 -4.47 118.16 125.46 1ozi n LYS 55 Ca -0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 1ozi n LYS 55 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 1ozi n LYS 55 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ozi n GLY 56 N 0.00 -1.16 5.43 0.72 0.00 -1.26 -4.83 105.19 104.08 1ozi n GLY 56 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 0.00 -0.11 4.61 0.00 -1.26 -2.12 120.51 121.63 1ozi n ALA 57 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1ozi n ALA 57 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.57 0.81 -0.11 0.00 0.00 -1.82 -0.85 119.26 116.71 1ozi h ALA 58 Ca 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1ozi h ALA 58 Cb 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ozi h ALA 58 CO 0.00 0.65 -0.44 1.49 0.00 0.00 0.00 179.25 180.94 1ozi h GLU 59 N 0.73 0.50 0.04 0.00 4.81 -1.52 -0.42 114.58 118.72 1ozi h GLU 59 Ca 0.10 -0.39 -0.25 0.00 -0.13 0.00 0.00 59.36 58.69 1ozi h GLU 59 Cb 0.77 0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.23 1ozi h GLU 59 CO 0.06 1.01 -1.04 0.66 -0.73 0.00 0.00 179.01 178.98 1ozi h SER 60 N 0.09 0.57 0.20 1.04 4.64 -1.72 -2.78 113.55 115.60 1ozi h SER 60 Ca -0.02 -0.49 -0.15 0.00 -0.47 0.00 0.00 61.79 60.66 1ozi h SER 60 Cb 1.08 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 1ozi h SER 60 CO 0.09 1.31 -0.55 -0.78 -0.87 0.00 0.00 176.83 176.03 1ozi h ASP 61 N 0.21 0.41 -1.72 4.97 1.82 -1.26 -3.48 116.42 117.38 1ozi h ASP 61 Ca -0.11 -0.22 -0.03 0.00 -0.39 0.00 0.00 57.03 56.29 1ozi h ASP 61 Cb 1.70 -0.12 0.01 0.00 0.68 0.00 0.00 39.33 41.60 1ozi h ASP 61 CO 0.18 0.88 -0.05 0.61 -1.61 0.00 0.00 179.24 179.24 1ozi n GLY 62 N 0.19 0.67 0.42 -0.78 0.00 -0.22 -4.97 105.19 100.49 1ozi n GLY 62 Ca -0.03 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 1ozi n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ozi n ARG 63 N -1.00 0.28 -3.95 1.61 1.74 -0.88 -4.98 116.66 109.47 1ozi n ARG 63 Ca -0.01 0.10 -0.35 0.00 -0.77 0.00 0.00 57.85 56.82 1ozi n ARG 63 Cb 0.51 -1.05 -0.11 0.00 -1.02 0.00 0.00 32.46 30.79 1ozi n ARG 63 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ozi s ILE 64 N -2.24 4.65 0.19 0.55 1.01 -1.18 -5.07 121.20 119.11 1ozi s ILE 64 Ca -0.17 -0.08 0.08 0.00 0.00 0.00 0.00 60.65 60.48 1ozi s ILE 64 Cb 0.06 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 1ozi s ILE 64 CO 0.24 0.42 -0.16 -2.28 0.00 0.00 0.00 174.94 173.16 1ozi s HIS 65 N 0.74 1.78 0.24 3.97 2.46 -1.26 -3.78 115.29 119.44 1ozi s HIS 65 Ca 0.03 -0.51 -0.30 0.00 0.47 0.00 0.00 55.06 54.76 1ozi s HIS 65 Cb -0.13 -0.85 -0.09 0.00 -0.13 0.00 0.00 32.58 31.37 1ozi s HIS 65 CO 0.02 0.37 1.29 -1.59 -2.47 0.00 0.00 174.74 172.35 1ozi s LYS 66 N -3.25 4.41 0.00 2.88 0.00 -1.26 -1.68 119.74 120.84 1ozi s LYS 66 Ca 0.20 2.07 0.00 0.00 0.00 0.00 0.00 55.97 58.23 1ozi s LYS 66 Cb -0.03 -3.16 0.00 0.00 0.00 0.00 0.00 37.83 34.63 1ozi s LYS 66 CO 0.07 -0.19 0.00 0.41 0.00 0.00 0.00 175.35 175.64 1ozi n GLY 67 N 1.87 2.13 3.77 0.59 0.00 0.10 -5.00 105.19 108.66 1ozi n GLY 67 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.97 6.15 0.08 1.61 1.01 -0.68 -2.67 116.67 121.20 1ozi s ASP 68 Ca 0.00 2.46 0.05 0.00 0.71 0.00 0.00 52.55 55.77 1ozi s ASP 68 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1ozi s ASP 68 CO 0.00 -0.94 -0.03 -0.60 0.21 0.00 0.00 175.17 173.81 1ozi s ARG 69 N -2.54 2.46 -0.07 8.23 3.00 -0.72 -0.48 118.95 128.84 1ozi s ARG 69 Ca 0.62 -0.86 0.04 0.00 -1.00 0.00 0.00 55.73 54.53 1ozi s ARG 69 Cb -0.33 -2.49 -0.02 0.00 0.00 0.00 0.00 34.95 32.12 1ozi s ARG 69 CO 0.40 0.54 -0.20 0.08 0.00 0.00 0.00 175.30 176.13 1ozi s VAL 70 N -1.24 2.49 -0.24 7.11 1.01 0.18 -0.28 120.40 129.41 1ozi s VAL 70 Ca 0.23 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 1ozi s VAL 70 Cb -0.11 -1.95 -0.17 0.00 0.00 0.00 0.00 36.38 34.14 1ozi s VAL 70 CO 0.16 0.57 -0.16 0.18 0.00 0.00 0.00 175.10 175.85 1ozi n LEU 71 N 2.90 2.67 -3.93 3.92 4.77 0.10 -3.20 117.00 124.23 1ozi n LEU 71 Ca -0.17 0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 55.75 1ozi n LEU 71 Cb 0.52 -0.92 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 1ozi n LEU 71 CO 0.26 0.82 0.33 0.00 -1.33 0.00 0.00 177.39 177.48 1ozi s ALA 72 N -2.52 -0.56 -0.27 -1.18 0.00 -0.55 -1.51 121.76 115.16 1ozi s ALA 72 Ca -0.34 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 1ozi s ALA 72 Cb 0.10 0.94 0.03 0.00 0.00 0.00 0.00 23.12 24.19 1ozi s ALA 72 CO 0.60 -0.93 -0.03 0.54 0.00 0.00 0.00 175.76 175.93 1ozi s VAL 73 N -3.62 3.01 -1.76 0.00 0.11 0.81 0.57 120.40 119.52 1ozi s VAL 73 Ca 0.18 -1.10 -0.18 0.00 -2.93 0.00 0.00 61.98 57.96 1ozi s VAL 73 Cb -0.03 -2.59 0.18 0.00 -1.53 0.00 0.00 36.38 32.40 1ozi s VAL 73 CO 0.10 0.10 0.44 -0.46 -3.33 0.00 0.00 175.10 171.95 1ozi n ASN 74 N 4.67 -1.13 0.00 3.54 0.23 0.16 0.56 115.26 123.29 1ozi n ASN 74 Ca -0.15 -1.22 0.00 0.00 -0.53 0.00 0.00 54.58 52.68 1ozi n ASN 74 Cb 0.46 -1.55 0.00 0.00 -2.08 0.00 0.00 39.78 36.61 1ozi n ASN 74 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ozi n GLY 75 N -1.40 1.90 3.51 4.83 0.00 -1.26 -5.04 105.19 107.74 1ozi n GLY 75 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.44 4.88 0.08 1.61 1.01 0.19 -5.02 120.40 120.71 1ozi s VAL 76 Ca 0.00 0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.69 1ozi s VAL 76 Cb 0.00 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.13 1ozi s VAL 76 CO 0.00 -0.56 1.49 -0.44 0.00 0.00 0.00 175.10 175.59 1ozi s SER 77 N 1.96 6.73 -0.07 3.32 0.01 -1.26 -0.14 113.70 124.26 1ozi s SER 77 Ca 0.20 2.35 0.10 0.00 1.31 0.00 0.00 55.95 59.92 1ozi s SER 77 Cb -0.15 -2.57 0.17 0.00 0.21 0.00 0.00 66.02 63.68 1ozi s SER 77 CO 0.18 -0.76 1.09 0.00 0.41 0.00 0.00 173.24 174.15 1ozi n LEU 78 N 4.83 1.22 0.19 2.44 -0.00 -0.72 -4.82 117.00 120.13 1ozi n LEU 78 Ca 0.14 -2.12 0.16 0.00 -0.00 0.00 0.00 56.01 54.18 1ozi n LEU 78 Cb 0.42 -0.22 0.77 0.00 -0.00 0.00 0.00 43.42 44.39 1ozi n LEU 78 CO 0.60 0.52 1.14 1.05 -0.00 0.00 0.00 177.39 180.70 1ozi h GLU 79 N 0.10 0.00 -0.39 1.47 4.11 -1.50 0.40 114.58 118.78 1ozi h GLU 79 Ca -0.01 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.32 1ozi h GLU 79 Cb 1.23 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 1ozi h GLU 79 CO 0.01 0.00 0.04 0.41 0.07 0.00 0.00 179.01 179.54 1ozi n GLY 80 N -1.47 4.24 3.92 1.06 0.00 -1.26 -3.87 105.19 107.80 1ozi n GLY 80 Ca 0.02 -1.09 -0.27 0.00 0.00 0.00 0.00 46.02 44.68 1ozi n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ozi s ALA 81 N -2.99 3.60 0.76 4.61 0.00 0.13 -5.09 121.76 122.77 1ozi s ALA 81 Ca 0.46 -0.67 -0.09 0.00 0.00 0.00 0.00 51.96 51.66 1ozi s ALA 81 Cb 0.38 -2.29 0.08 0.00 0.00 0.00 0.00 23.12 21.29 1ozi s ALA 81 CO 0.07 0.03 1.09 -0.08 0.00 0.00 0.00 175.76 176.87 1ozi s THR 82 N -2.29 2.17 0.16 0.00 -1.32 -1.26 -4.81 115.64 108.29 1ozi s THR 82 Ca 0.43 -0.19 -0.21 0.00 -1.21 0.00 0.00 61.69 60.52 1ozi s THR 82 Cb -0.10 -2.98 0.07 0.00 -1.51 0.00 0.00 72.50 67.97 1ozi s THR 82 CO 0.35 0.00 1.62 -0.74 -2.21 0.00 0.00 174.62 173.64 1ozi h HIS 83 N -0.81 -0.67 -0.14 9.09 2.76 -1.92 -0.74 115.15 122.73 1ozi h HIS 83 Ca -0.45 0.05 -0.04 0.00 -2.20 0.00 0.00 60.37 57.73 1ozi h HIS 83 Cb 1.31 0.35 -0.01 0.00 1.55 0.00 0.00 27.41 30.61 1ozi h HIS 83 CO 0.19 -0.33 -0.08 0.87 -1.30 0.00 0.00 177.93 177.28 1ozi h LYS 84 N -0.21 0.21 0.06 5.26 1.57 -1.93 -2.49 116.57 119.04 1ozi h LYS 84 Ca 0.17 -0.04 -0.28 0.00 -1.87 0.00 0.00 60.65 58.63 1ozi h LYS 84 Cb 0.48 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.77 1ozi h LYS 84 CO -0.47 0.31 -1.14 1.96 -0.57 0.00 0.00 179.45 179.54 1ozi h GLN 85 N 0.21 0.61 0.21 3.15 1.08 -1.55 -0.07 115.11 118.75 1ozi h GLN 85 Ca 0.05 -0.74 0.01 0.00 -1.45 0.00 0.00 58.65 56.51 1ozi h GLN 85 Cb 0.28 0.23 -0.04 0.00 -0.05 0.00 0.00 27.48 27.90 1ozi h GLN 85 CO 0.01 1.32 -0.51 0.00 -0.95 0.00 0.00 178.83 178.70 1ozi h ALA 86 N 0.40 -1.03 -0.24 3.87 0.00 -1.03 -1.37 119.26 119.87 1ozi h ALA 86 Ca -0.15 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1ozi h ALA 86 Cb 1.80 0.85 -0.01 0.00 0.00 0.00 0.00 17.79 20.43 1ozi h ALA 86 CO 0.22 -1.13 -0.07 0.28 0.00 0.00 0.00 179.25 178.54 1ozi h VAL 87 N -0.80 1.19 -0.32 0.00 2.07 -1.46 -1.94 116.25 114.99 1ozi h VAL 87 Ca -0.02 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 1ozi h VAL 87 Cb 0.77 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1ozi h VAL 87 CO -0.23 0.26 -0.09 -0.33 0.02 0.00 0.00 177.57 177.20 1ozi h GLU 88 N 0.36 0.53 0.01 1.57 4.39 -0.73 0.11 114.58 120.81 1ozi h GLU 88 Ca 0.08 -0.14 -0.21 0.00 0.34 0.00 0.00 59.36 59.42 1ozi h GLU 88 Cb 0.35 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1ozi h GLU 88 CO 0.02 0.63 -0.92 1.15 -1.16 0.00 0.00 179.01 178.72 1ozi h THR 89 N 0.49 1.46 0.00 1.13 2.02 -0.68 -1.92 112.91 115.41 1ozi h THR 89 Ca 0.09 -2.59 -0.00 0.00 0.77 0.00 0.00 66.41 64.68 1ozi h THR 89 Cb 0.46 2.48 -0.00 0.00 -1.74 0.00 0.00 68.15 69.35 1ozi h THR 89 CO 0.03 0.76 -0.00 -0.07 0.37 0.00 0.00 175.52 176.60 1ozi h LEU 90 N 0.15 0.00 0.22 2.58 3.38 -0.60 -1.94 115.31 119.10 1ozi h LEU 90 Ca -0.06 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.58 1ozi h LEU 90 Cb 1.56 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.34 1ozi h LEU 90 CO 0.15 0.00 -1.52 -0.09 0.09 0.00 0.00 178.44 177.07 1ozi h ARG 91 N 0.00 0.47 -0.13 1.13 2.43 -0.70 -3.37 114.38 114.21 1ozi h ARG 91 Ca -0.00 -0.80 -0.12 0.00 -0.81 0.00 0.00 59.98 58.25 1ozi h ARG 91 Cb 0.67 0.30 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1ozi h ARG 91 CO 0.00 1.38 -0.45 -0.97 -1.51 0.00 0.00 179.97 178.42 1ozi h ASN 92 N 0.08 0.34 0.64 -3.80 -1.24 -0.88 -3.32 115.58 107.40 1ozi h ASN 92 Ca -0.28 -0.16 -0.03 0.00 0.71 0.00 0.00 56.30 56.54 1ozi h ASN 92 Cb 2.10 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 41.05 1ozi h ASN 92 CO 0.23 0.75 -0.34 0.71 -1.29 0.00 0.00 177.43 177.49 1ozi h THR 93 N 0.26 0.00 0.00 -3.57 1.35 -1.53 -3.50 112.91 105.92 1ozi h THR 93 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1ozi h THR 93 Cb 0.91 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.33 1ozi h THR 93 CO 0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 1ozi n GLY 94 N -1.46 0.44 0.17 5.82 0.00 -1.25 -4.91 105.19 104.00 1ozi n GLY 94 Ca -0.11 -1.42 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 1ozi n GLY 94 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1ozi h GLN 95 N 0.00 0.51 -4.80 1.61 3.07 -1.93 -3.40 115.11 110.17 1ozi h GLN 95 Ca 0.00 -0.16 -0.68 0.00 0.09 0.00 0.00 58.65 57.90 1ozi h GLN 95 Cb 0.00 -0.04 -0.27 0.00 0.08 0.00 0.00 27.48 27.25 1ozi h GLN 95 CO 0.00 0.66 -0.63 0.08 0.09 0.00 0.00 178.83 179.04 1ozi s VAL 96 N -4.97 3.90 -0.11 1.86 1.01 -1.26 0.07 120.40 120.90 1ozi s VAL 96 Ca -0.13 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 1ozi s VAL 96 Cb 0.08 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1ozi s VAL 96 CO 0.76 0.07 -0.01 -0.69 0.00 0.00 0.00 175.10 175.23 1ozi s VAL 97 N 1.48 4.20 -0.17 2.92 1.01 0.51 -4.92 120.40 125.44 1ozi s VAL 97 Ca 0.02 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 1ozi s VAL 97 Cb -0.17 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1ozi s VAL 97 CO 0.02 0.56 0.05 -1.00 0.00 0.00 0.00 175.10 174.74 1ozi s HIS 98 N -0.45 3.25 0.16 5.22 3.76 -1.25 -0.56 115.29 125.43 1ozi s HIS 98 Ca 0.08 0.09 0.07 0.00 -0.15 0.00 0.00 55.06 55.16 1ozi s HIS 98 Cb -0.12 -2.03 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 1ozi s HIS 98 CO 0.02 0.22 -0.15 -0.51 -0.85 0.00 0.00 174.74 173.47 1ozi s LEU 99 N 0.13 2.47 -0.30 0.89 1.02 -0.68 0.38 118.68 122.58 1ozi s LEU 99 Ca 0.04 -0.90 -0.07 0.00 0.02 0.00 0.00 54.13 53.22 1ozi s LEU 99 Cb -0.12 -0.68 0.01 0.00 0.02 0.00 0.00 46.19 45.42 1ozi s LEU 99 CO 0.01 -0.12 0.09 -0.22 0.02 0.00 0.00 176.35 176.12 1ozi s LEU 100 N -2.82 3.92 0.34 1.79 0.20 0.19 0.12 118.68 122.43 1ozi s LEU 100 Ca 0.16 -0.77 0.08 0.00 0.69 0.00 0.00 54.13 54.29 1ozi s LEU 100 Cb -0.04 -1.88 -0.03 0.00 -0.43 0.00 0.00 46.19 43.81 1ozi s LEU 100 CO 0.05 -0.21 0.22 -0.76 -0.29 0.00 0.00 176.35 175.36 1ozi s LEU 101 N 1.49 3.40 -0.22 -0.68 1.02 0.19 0.00 118.68 123.88 1ozi s LEU 101 Ca 0.02 -0.67 -0.01 0.00 0.02 0.00 0.00 54.13 53.49 1ozi s LEU 101 Cb -0.18 -1.94 0.06 0.00 0.02 0.00 0.00 46.19 44.16 1ozi s LEU 101 CO 0.03 -0.35 0.00 -0.70 0.02 0.00 0.00 176.35 175.35 1ozi s GLU 102 N -3.92 1.09 0.02 1.70 2.12 0.61 -0.81 118.70 119.50 1ozi s GLU 102 Ca 0.40 -0.75 -0.39 0.00 0.36 0.00 0.00 54.97 54.59 1ozi s GLU 102 Cb -0.04 -2.33 -0.18 0.00 0.26 0.00 0.00 34.13 31.84 1ozi s GLU 102 CO 0.24 -0.66 1.24 1.17 -0.54 0.00 0.00 175.26 176.72 1ozi n LYS 103 N 4.86 0.60 -1.72 4.30 3.00 0.28 -1.75 118.16 127.73 1ozi n LYS 103 Ca -0.09 0.22 -0.30 0.00 -0.00 0.00 0.00 58.31 58.14 1ozi n LYS 103 Cb 0.45 -1.80 0.17 0.00 0.00 0.00 0.00 35.03 33.86 1ozi n LYS 103 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1ozi s GLY 104 N 0.47 1.69 -0.05 3.14 0.00 -1.26 -1.40 107.32 109.90 1ozi s GLY 104 Ca 0.89 -0.97 -0.12 0.00 0.00 0.00 0.00 44.72 44.52 1ozi s GLY 104 CO 0.53 -0.26 0.28 1.20 0.00 0.00 0.00 173.10 174.85 1ozi s GLN 105 N -5.67 0.50 -0.41 2.90 -0.21 -1.09 -4.58 119.66 111.10 1ozi s GLN 105 Ca 0.70 0.04 -0.08 0.00 0.02 0.00 0.00 55.36 56.04 1ozi s GLN 105 Cb -0.08 0.23 0.08 0.00 1.00 0.00 0.00 33.01 34.24 1ozi s GLN 105 CO 0.53 -0.11 0.24 0.14 -2.12 0.00 0.00 175.29 173.97 1ozi s VAL 106 N -0.68 4.12 -2.02 1.09 -7.23 -1.26 -4.84 120.40 109.57 1ozi s VAL 106 Ca -0.08 -1.42 0.32 0.00 -1.81 0.00 0.00 61.98 58.99 1ozi s VAL 106 Cb -0.04 -3.52 0.90 0.00 0.56 0.00 0.00 36.38 34.27 1ozi s VAL 106 CO 0.02 -0.49 2.21 -0.81 -0.31 0.00 0.00 175.10 175.72