#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1za3 s SER 22 N 0.00 7.13 -0.38 6.43 0.01 -1.26 -1.19 113.70 124.43 1za3 s SER 22 Ca 0.00 1.44 -0.28 0.00 1.31 0.00 0.00 55.95 58.42 1za3 s SER 22 Cb 0.00 -2.43 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 1za3 s SER 22 CO 0.00 0.11 1.69 -2.84 0.41 0.00 0.00 173.24 172.61 1za3 s PRO 23 N -1.66 3.34 -0.20 12.44 0.02 -1.26 -4.65 135.00 143.02 1za3 s PRO 23 Ca 0.39 1.20 -0.29 0.00 0.02 0.00 0.00 61.00 62.32 1za3 s PRO 23 Cb -0.18 -4.17 -0.02 0.00 0.02 0.00 0.00 34.50 30.15 1za3 s PRO 23 CO 0.22 -1.86 1.48 0.45 -0.33 0.00 0.00 177.00 176.96 1za3 s SER 24 N 5.66 6.61 -1.45 2.53 0.15 -0.52 -3.81 113.70 122.85 1za3 s SER 24 Ca 0.73 1.63 -0.06 0.00 0.70 0.00 0.00 55.95 58.95 1za3 s SER 24 Cb -0.19 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.61 1za3 s SER 24 CO 0.32 -1.07 0.53 -0.62 1.20 0.00 0.00 173.24 173.61 1za3 n GLU 25 N 7.29 -4.23 -0.59 5.44 4.71 -1.26 -1.67 120.64 130.32 1za3 n GLU 25 Ca 0.17 0.76 0.00 0.00 -0.01 0.00 0.00 57.16 58.07 1za3 n GLU 25 Cb 0.45 -5.56 0.00 0.00 -1.01 0.00 0.00 31.44 25.33 1za3 n GLU 25 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1za3 n GLY 26 N -1.37 1.04 3.40 0.62 0.00 -1.25 -5.04 105.19 102.58 1za3 n GLY 26 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 1za3 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1za3 s LEU 27 N 0.00 2.33 -0.08 0.99 1.43 -0.67 -4.79 118.68 117.90 1za3 s LEU 27 Ca 0.00 -1.23 0.02 0.00 -1.03 0.00 0.00 54.13 51.89 1za3 s LEU 27 Cb 0.00 -0.46 -0.02 0.00 0.03 0.00 0.00 46.19 45.73 1za3 s LEU 27 CO 0.00 -0.45 -0.13 0.00 0.23 0.00 0.00 176.35 176.00 1za3 s PRO 29 N -0.37 2.62 0.41 0.00 0.04 -1.26 -0.92 135.00 135.52 1za3 s PRO 29 Ca 0.04 1.29 -0.22 0.00 0.04 0.00 0.00 61.00 62.15 1za3 s PRO 29 Cb -0.12 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.35 1za3 s PRO 29 CO 0.02 -1.38 0.47 -2.30 0.04 0.00 0.00 177.00 173.86 1za3 n PRO 30 N -2.83 0.46 -1.04 0.56 -0.02 -1.25 -1.78 135.00 129.11 1za3 n PRO 30 Ca 0.10 0.17 -0.01 0.00 -2.02 0.00 0.00 63.50 61.73 1za3 n PRO 30 Cb 0.52 -1.41 -0.01 0.00 -0.02 0.00 0.00 33.50 32.59 1za3 n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1za3 n GLY 31 N 1.88 0.51 3.05 -1.23 0.00 0.13 -4.91 105.19 104.62 1za3 n GLY 31 Ca 0.12 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 1za3 n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1za3 s HIS 32 N -2.01 0.33 0.33 1.61 3.76 -0.73 -1.92 115.29 116.65 1za3 s HIS 32 Ca 0.00 -0.70 0.09 0.00 -0.15 0.00 0.00 55.06 54.30 1za3 s HIS 32 Cb 0.00 -0.25 -0.05 0.00 1.11 0.00 0.00 32.58 33.39 1za3 s HIS 32 CO 0.00 -0.29 -0.01 -3.38 -0.85 0.00 0.00 174.74 170.21 1za3 s HIS 33 N -2.54 2.54 0.08 1.40 -3.43 0.56 -4.79 115.29 109.11 1za3 s HIS 33 Ca -0.06 -0.41 0.02 0.00 -0.80 0.00 0.00 55.06 53.82 1za3 s HIS 33 Cb -0.02 -1.42 -0.04 0.00 -1.43 0.00 0.00 32.58 29.67 1za3 s HIS 33 CO -0.05 0.51 0.11 -1.50 -2.00 0.00 0.00 174.74 171.81 1za3 s ILE 34 N -2.50 4.71 0.95 -5.38 2.07 -0.13 -0.59 121.20 120.33 1za3 s ILE 34 Ca 0.34 -0.70 -0.14 0.00 -1.41 0.00 0.00 60.65 58.73 1za3 s ILE 34 Cb -0.01 -3.28 0.17 0.00 0.13 0.00 0.00 42.46 39.47 1za3 s ILE 34 CO 0.19 0.12 1.20 -0.94 -1.91 0.00 0.00 174.94 173.60 1za3 s SER 35 N -2.45 3.17 0.06 4.50 1.04 -0.97 -4.19 113.70 114.86 1za3 s SER 35 Ca 0.31 0.65 -0.34 0.00 0.48 0.00 0.00 55.95 57.05 1za3 s SER 35 Cb -0.12 -0.99 -0.18 0.00 0.10 0.00 0.00 66.02 64.83 1za3 s SER 35 CO 0.23 -2.73 1.51 -0.33 0.98 0.00 0.00 173.24 172.91 1za3 h GLU 36 N -1.63 -1.15 -0.05 4.02 4.39 -1.91 -2.89 114.58 115.36 1za3 h GLU 36 Ca -0.47 0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.32 1za3 h GLU 36 Cb 1.29 0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 30.20 1za3 h GLU 36 CO 0.51 -0.77 0.09 0.38 -1.16 0.00 0.00 179.01 178.06 1za3 h ASP 37 N -1.19 0.00 -0.71 1.42 3.04 -1.96 -3.46 116.42 113.55 1za3 h ASP 37 Ca -0.12 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.55 1za3 h ASP 37 Cb 0.93 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.20 1za3 h ASP 37 CO 0.17 0.00 -0.14 0.61 -2.04 0.00 0.00 179.24 177.84 1za3 n GLY 38 N -1.26 0.30 0.04 7.15 0.00 -1.09 -4.92 105.19 105.41 1za3 n GLY 38 Ca -0.02 -0.67 0.01 0.00 0.00 0.00 0.00 46.02 45.34 1za3 n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1za3 n ARG 39 N -1.88 0.91 -4.33 1.61 3.00 -1.26 -4.85 116.66 109.87 1za3 n ARG 39 Ca -0.07 -0.09 -0.18 0.00 -0.00 0.00 0.00 57.85 57.51 1za3 n ARG 39 Cb 0.47 -1.41 -0.14 0.00 0.00 0.00 0.00 32.46 31.38 1za3 n ARG 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1za3 s ASP 40 N -4.40 1.21 0.16 6.15 1.01 -1.26 -4.47 116.67 115.06 1za3 s ASP 40 Ca -0.07 -0.30 -0.08 0.00 0.71 0.00 0.00 52.55 52.82 1za3 s ASP 40 Cb 0.08 -0.10 -0.06 0.00 1.01 0.00 0.00 42.92 43.85 1za3 s ASP 40 CO 0.68 0.05 0.45 0.00 0.21 0.00 0.00 175.17 176.56 1za3 s ILE 42 N -1.64 0.86 0.21 0.00 1.09 0.25 -4.58 121.20 117.38 1za3 s ILE 42 Ca 0.41 -0.39 -0.19 0.00 -1.10 0.00 0.00 60.65 59.38 1za3 s ILE 42 Cb -0.12 -0.76 -0.08 0.00 -1.06 0.00 0.00 42.46 40.43 1za3 s ILE 42 CO 0.22 0.27 0.70 -0.55 -0.10 0.00 0.00 174.94 175.47 1za3 s SER 43 N 0.23 7.01 0.73 3.58 0.15 -1.26 -0.32 113.70 123.81 1za3 s SER 43 Ca -0.04 1.36 -0.13 0.00 0.70 0.00 0.00 55.95 57.83 1za3 s SER 43 Cb -0.09 -2.40 0.04 0.00 -1.71 0.00 0.00 66.02 61.86 1za3 s SER 43 CO 0.01 0.04 1.13 0.00 1.20 0.00 0.00 173.24 175.61 1za3 s LYS 45 N -4.31 3.60 -0.14 0.00 2.20 -1.26 -4.93 119.74 114.90 1za3 s LYS 45 Ca 0.67 0.22 -0.40 0.00 -0.36 0.00 0.00 55.97 56.10 1za3 s LYS 45 Cb -0.22 -3.89 -0.17 0.00 -1.51 0.00 0.00 37.83 32.04 1za3 s LYS 45 CO 0.47 -1.12 1.51 0.98 -0.36 0.00 0.00 175.35 176.83 1za3 n TYR 46 N 6.97 1.67 0.00 4.03 4.19 -1.26 -1.85 117.16 130.90 1za3 n TYR 46 Ca 0.06 0.71 0.00 0.00 3.31 0.00 0.00 57.90 61.97 1za3 n TYR 46 Cb 0.48 -2.34 0.00 0.00 0.49 0.00 0.00 39.34 37.97 1za3 n TYR 46 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1za3 n GLY 47 N 3.27 3.11 0.13 2.98 0.00 -1.26 -4.79 105.19 108.63 1za3 n GLY 47 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1za3 n GLY 47 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1za3 n GLN 48 N -0.51 0.64 -4.10 1.61 7.27 -0.77 -4.86 117.38 116.64 1za3 n GLN 48 Ca 0.00 0.22 -0.13 0.00 0.07 0.00 0.00 57.00 57.16 1za3 n GLN 48 Cb 0.00 -1.54 -0.06 0.00 2.41 0.00 0.00 30.24 31.05 1za3 n GLN 48 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 1za3 s ASP 49 N -6.91 0.49 0.09 1.69 -4.77 -0.96 -2.53 116.67 103.77 1za3 s ASP 49 Ca -0.35 -1.32 -0.23 0.00 -3.30 0.00 0.00 52.55 47.35 1za3 s ASP 49 Cb 0.11 0.56 0.06 0.00 -1.09 0.00 0.00 42.92 42.56 1za3 s ASP 49 CO 0.58 -1.12 0.56 -0.72 0.70 0.00 0.00 175.17 175.17 1za3 s TYR 50 N -3.64 -0.48 -0.03 2.11 1.13 -0.76 -4.17 117.35 111.52 1za3 s TYR 50 Ca 0.31 0.45 -0.07 0.00 -1.41 0.00 0.00 57.07 56.34 1za3 s TYR 50 Cb 0.02 0.43 0.01 0.00 -1.10 0.00 0.00 41.96 41.32 1za3 s TYR 50 CO 0.16 -0.73 0.17 -1.54 -2.51 0.00 0.00 175.55 171.09 1za3 s SER 51 N -2.27 -0.08 -0.12 -0.18 1.04 0.14 -1.52 113.70 110.71 1za3 s SER 51 Ca -0.03 0.05 0.07 0.00 0.48 0.00 0.00 55.95 56.53 1za3 s SER 51 Cb -0.00 0.28 -0.13 0.00 0.10 0.00 0.00 66.02 66.27 1za3 s SER 51 CO -0.06 -0.25 -0.01 0.35 0.98 0.00 0.00 173.24 174.26 1za3 n THR 52 N 2.08 0.78 -3.76 2.02 -2.24 -1.26 0.21 114.28 112.10 1za3 n THR 52 Ca -0.18 -0.43 -0.20 0.00 -2.27 0.00 0.00 64.05 60.96 1za3 n THR 52 Cb 0.57 -0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 67.99 1za3 n THR 52 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1za3 s HIS 53 N -2.28 3.21 0.37 4.78 3.76 -1.26 -4.69 115.29 119.19 1za3 s HIS 53 Ca -0.09 -0.15 -0.28 0.00 -0.15 0.00 0.00 55.06 54.39 1za3 s HIS 53 Cb 0.04 -1.75 -0.11 0.00 1.11 0.00 0.00 32.58 31.87 1za3 s HIS 53 CO 0.42 0.23 1.45 -1.58 -0.85 0.00 0.00 174.74 174.42 1za3 s TRP 54 N -2.12 2.65 0.23 1.40 0.52 -1.26 -3.82 118.94 116.55 1za3 s TRP 54 Ca 0.39 1.21 -0.18 0.00 0.02 0.00 0.00 56.10 57.54 1za3 s TRP 54 Cb -0.09 -3.96 0.02 0.00 -1.15 0.00 0.00 33.47 28.29 1za3 s TRP 54 CO 0.29 -2.81 0.60 0.54 0.02 0.00 0.00 176.95 175.58 1za3 s ASN 55 N -0.22 -0.25 -0.24 2.95 2.20 -0.09 -4.88 114.94 114.40 1za3 s ASN 55 Ca 0.53 -0.57 0.12 0.00 -0.94 0.00 0.00 52.86 51.99 1za3 s ASN 55 Cb -0.45 0.64 0.45 0.00 -2.00 0.00 0.00 41.25 39.89 1za3 s ASN 55 CO 0.61 -1.17 1.19 -0.90 -2.94 0.00 0.00 177.10 173.89 1za3 n ASP 56 N -0.40 3.21 -4.75 3.54 5.68 -1.26 -0.41 116.55 122.16 1za3 n ASP 56 Ca -0.07 -3.46 -0.41 0.00 -0.50 0.00 0.00 54.79 50.36 1za3 n ASP 56 Cb 0.61 -0.41 -0.03 0.00 -1.14 0.00 0.00 41.12 40.15 1za3 n ASP 56 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1za3 s LEU 57 N -3.23 4.45 0.41 -2.12 1.43 -1.26 -4.75 118.68 113.60 1za3 s LEU 57 Ca 0.43 2.45 0.14 0.00 -1.03 0.00 0.00 54.13 56.12 1za3 s LEU 57 Cb 0.39 -3.62 0.87 0.00 0.03 0.00 0.00 46.19 43.85 1za3 s LEU 57 CO -0.02 -0.45 1.90 -0.07 0.23 0.00 0.00 176.35 177.94 1za3 h LEU 58 N 4.48 0.00 -7.11 1.79 3.38 -1.92 -0.32 115.31 115.62 1za3 h LEU 58 Ca -0.46 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.56 1za3 h LEU 58 Cb 1.22 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.84 1za3 h LEU 58 CO 0.72 0.29 0.34 0.72 0.09 0.00 0.00 178.44 180.59 1za3 s PHE 59 N -4.34 -0.41 0.73 1.13 -0.12 -1.26 -4.59 117.98 109.11 1za3 s PHE 59 Ca -0.03 0.21 -0.11 0.00 -0.05 0.00 0.00 56.93 56.95 1za3 s PHE 59 Cb 0.15 0.57 0.03 0.00 -0.63 0.00 0.00 43.02 43.13 1za3 s PHE 59 CO 0.70 -0.75 1.07 0.00 -0.05 0.00 0.00 175.22 176.19 1za3 s LEU 61 N -5.64 4.57 0.33 0.00 1.43 -0.58 -4.81 118.68 113.98 1za3 s LEU 61 Ca 0.59 1.66 -0.29 0.00 -1.03 0.00 0.00 54.13 55.06 1za3 s LEU 61 Cb -0.14 -3.37 -0.10 0.00 0.03 0.00 0.00 46.19 42.60 1za3 s LEU 61 CO 0.55 0.18 1.33 -0.13 0.23 0.00 0.00 176.35 178.50 1za3 s ARG 62 N -1.26 4.34 0.41 1.70 0.52 -1.26 -1.82 118.95 121.57 1za3 s ARG 62 Ca 0.37 2.24 -0.24 0.00 -0.52 0.00 0.00 55.73 57.58 1za3 s ARG 62 Cb -0.23 -3.07 -0.08 0.00 0.52 0.00 0.00 34.95 32.09 1za3 s ARG 62 CO 0.26 -0.23 1.13 0.00 0.02 0.00 0.00 175.30 176.48 1za3 s THR 64 N -1.51 4.85 -0.21 0.00 2.01 -1.26 -5.02 115.64 114.49 1za3 s THR 64 Ca 0.58 1.84 -0.15 0.00 0.31 0.00 0.00 61.69 64.28 1za3 s THR 64 Cb -0.27 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 1za3 s THR 64 CO 0.34 0.06 0.34 -0.13 -0.69 0.00 0.00 174.62 174.54 1za3 s ARG 65 N 1.82 4.14 0.48 4.92 0.52 -1.26 -4.71 118.95 124.86 1za3 s ARG 65 Ca 0.44 0.08 -0.24 0.00 -0.52 0.00 0.00 55.73 55.49 1za3 s ARG 65 Cb -0.18 -3.54 -0.07 0.00 0.52 0.00 0.00 34.95 31.68 1za3 s ARG 65 CO 0.17 -0.02 1.42 0.00 0.02 0.00 0.00 175.30 176.89 1za3 s ASP 67 N -0.59 1.98 0.22 0.00 1.01 -1.26 -4.93 116.67 113.10 1za3 s ASP 67 Ca 0.64 0.96 -0.01 0.00 0.71 0.00 0.00 52.55 54.85 1za3 s ASP 67 Cb -0.44 -1.47 0.20 0.00 1.01 0.00 0.00 42.92 42.22 1za3 s ASP 67 CO 0.55 -3.50 1.56 0.77 0.21 0.00 0.00 175.17 174.76 1za3 h SER 68 N -2.15 0.54 0.63 0.27 4.64 -1.94 -2.52 113.55 113.02 1za3 h SER 68 Ca -0.51 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 60.54 1za3 h SER 68 Cb 1.32 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1za3 h SER 68 CO 0.50 0.94 0.00 0.61 -0.87 0.00 0.00 176.83 178.00 1za3 n GLY 69 N 0.10 -1.27 3.83 -0.77 0.00 -1.26 -4.85 105.19 100.97 1za3 n GLY 69 Ca -0.02 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1za3 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1za3 s GLU 70 N -2.68 2.98 0.15 1.61 2.02 -0.95 -2.31 118.70 119.52 1za3 s GLU 70 Ca 0.23 -0.96 0.07 0.00 0.02 0.00 0.00 54.97 54.33 1za3 s GLU 70 Cb 0.19 -2.63 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 1za3 s GLU 70 CO 0.44 0.43 0.00 0.14 0.02 0.00 0.00 175.26 176.30 1za3 s VAL 71 N -1.99 3.83 -0.45 2.63 -7.23 0.22 -4.65 120.40 112.76 1za3 s VAL 71 Ca 0.32 -1.29 -0.27 0.00 -1.81 0.00 0.00 61.98 58.94 1za3 s VAL 71 Cb -0.09 -2.89 0.03 0.00 0.56 0.00 0.00 36.38 33.98 1za3 s VAL 71 CO 0.25 -0.04 1.02 -0.70 -0.31 0.00 0.00 175.10 175.32 1za3 s GLU 72 N -2.76 3.66 -0.01 4.82 2.12 -1.26 -1.32 118.70 123.95 1za3 s GLU 72 Ca 0.27 0.41 -0.23 0.00 0.36 0.00 0.00 54.97 55.77 1za3 s GLU 72 Cb -0.10 -3.90 -0.20 0.00 0.26 0.00 0.00 34.13 30.19 1za3 s GLU 72 CO 0.19 -1.26 1.18 1.25 -0.54 0.00 0.00 175.26 176.08 1za3 h LEU 73 N 10.79 0.23 -7.80 2.70 6.46 -1.04 -3.46 115.31 123.19 1za3 h LEU 73 Ca -0.23 -0.62 -0.38 0.00 -0.12 0.00 0.00 57.88 56.53 1za3 h LEU 73 Cb 1.07 -0.07 -0.32 0.00 -0.73 0.00 0.00 40.66 40.61 1za3 h LEU 73 CO 1.07 0.81 -0.76 -0.44 -0.62 0.00 0.00 178.44 178.49 1za3 s SER 74 N -6.12 0.78 0.70 1.25 0.01 -0.96 -4.99 113.70 104.37 1za3 s SER 74 Ca -0.15 -0.11 -0.11 0.00 1.31 0.00 0.00 55.95 56.89 1za3 s SER 74 Cb 0.02 -0.28 0.01 0.00 0.21 0.00 0.00 66.02 65.98 1za3 s SER 74 CO 0.73 -0.01 1.06 -2.16 0.41 0.00 0.00 173.24 173.27 1za3 s PRO 75 N 0.53 2.89 0.23 12.44 0.04 -1.26 -1.46 135.00 148.41 1za3 s PRO 75 Ca -0.06 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 61.56 1za3 s PRO 75 Cb -0.10 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 1za3 s PRO 75 CO -0.00 -1.11 1.14 0.00 0.04 0.00 0.00 177.00 177.07 1za3 n THR 77 N 1.88 0.00 -0.16 0.00 -2.24 -0.80 -4.24 114.28 108.71 1za3 n THR 77 Ca 0.02 -1.14 -0.11 0.00 -2.27 0.00 0.00 64.05 60.55 1za3 n THR 77 Cb 0.45 0.25 0.02 0.00 -2.10 0.00 0.00 70.33 68.94 1za3 n THR 77 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1za3 h THR 78 N 1.15 1.27 -0.02 4.28 1.35 -1.90 -3.29 112.91 115.75 1za3 h THR 78 Ca -0.19 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 1za3 h THR 78 Cb 0.60 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1za3 h THR 78 CO 0.32 0.47 -0.03 0.35 -0.25 0.00 0.00 175.52 176.38 1za3 n THR 79 N -4.12 0.00 -3.64 6.82 -2.24 -1.26 0.28 114.28 110.12 1za3 n THR 79 Ca 0.00 -0.30 -0.15 0.00 -2.27 0.00 0.00 64.05 61.33 1za3 n THR 79 Cb 0.44 0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 69.36 1za3 n THR 79 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1za3 s ARG 80 N -2.05 0.80 -0.16 -0.78 3.52 -1.24 -4.42 118.95 114.62 1za3 s ARG 80 Ca 0.34 0.46 -0.08 0.00 -0.13 0.00 0.00 55.73 56.32 1za3 s ARG 80 Cb 0.21 0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 33.93 1za3 s ARG 80 CO 0.35 -0.18 0.12 1.21 -0.81 0.00 0.00 175.30 175.99 1za3 s ASN 81 N -0.47 6.20 0.26 -2.12 3.04 -1.26 -1.91 114.94 118.68 1za3 s ASN 81 Ca -0.06 0.32 -0.26 0.00 0.04 0.00 0.00 52.86 52.90 1za3 s ASN 81 Cb -0.03 -2.05 -0.17 0.00 -1.54 0.00 0.00 41.25 37.47 1za3 s ASN 81 CO 0.04 0.29 0.39 1.07 -3.04 0.00 0.00 177.10 175.85 1za3 n THR 82 N 2.80 1.59 -4.11 -5.21 5.66 -1.26 -4.87 114.28 108.88 1za3 n THR 82 Ca -0.18 -0.50 -0.34 0.00 -3.05 0.00 0.00 64.05 59.99 1za3 n THR 82 Cb 0.53 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.16 1za3 n THR 82 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1za3 s VAL 83 N -1.19 2.58 0.20 1.08 1.01 -0.53 -4.77 120.40 118.77 1za3 s VAL 83 Ca 0.62 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.92 1za3 s VAL 83 Cb -0.84 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1za3 s VAL 83 CO 0.58 0.50 -0.04 0.00 0.00 0.00 0.00 175.10 176.14 1za3 s GLN 85 N -3.06 0.58 0.15 0.00 0.74 -0.43 -4.87 119.66 112.76 1za3 s GLN 85 Ca 0.27 -0.38 -0.30 0.00 0.05 0.00 0.00 55.36 55.00 1za3 s GLN 85 Cb -0.08 0.25 -0.07 0.00 1.10 0.00 0.00 33.01 34.20 1za3 s GLN 85 CO 0.17 -0.15 1.01 0.00 -0.55 0.00 0.00 175.29 175.78 1za3 s GLU 87 N -0.27 2.42 -0.15 0.00 2.12 -0.98 -4.71 118.70 117.13 1za3 s GLU 87 Ca 0.47 1.49 -0.39 0.00 0.36 0.00 0.00 54.97 56.90 1za3 s GLU 87 Cb -0.26 -1.89 -0.16 0.00 0.26 0.00 0.00 34.13 32.07 1za3 s GLU 87 CO 0.32 -1.57 1.57 -1.91 -0.54 0.00 0.00 175.26 173.13 1za3 n GLU 88 N -2.75 1.05 0.00 4.30 2.13 -1.26 -1.10 120.64 123.00 1za3 n GLU 88 Ca 0.11 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.31 1za3 n GLU 88 Cb 0.52 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.19 1za3 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1za3 n GLY 89 N 3.49 2.41 3.59 8.31 0.00 -1.26 -5.09 105.19 116.64 1za3 n GLY 89 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1za3 n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1za3 s THR 90 N -2.33 1.21 0.29 2.61 -4.23 -0.26 -1.16 115.64 111.77 1za3 s THR 90 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 1za3 s THR 90 Cb 0.00 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.29 1za3 s THR 90 CO 0.00 0.00 0.54 0.72 -0.54 0.00 0.00 174.62 175.34 1za3 s PHE 91 N -3.03 0.45 0.07 3.99 -0.71 -0.22 -3.92 117.98 114.60 1za3 s PHE 91 Ca 0.24 -0.83 -0.24 0.00 -1.04 0.00 0.00 56.93 55.06 1za3 s PHE 91 Cb 0.05 0.26 0.06 0.00 -1.21 0.00 0.00 43.02 42.19 1za3 s PHE 91 CO 0.12 -1.13 0.58 0.50 -1.34 0.00 0.00 175.22 173.95 1za3 s ARG 92 N -3.53 1.13 0.32 1.99 3.52 -0.99 -2.01 118.95 119.38 1za3 s ARG 92 Ca 0.22 -0.23 -0.04 0.00 -0.13 0.00 0.00 55.73 55.56 1za3 s ARG 92 Cb -0.02 0.52 -0.00 0.00 -1.56 0.00 0.00 34.95 33.89 1za3 s ARG 92 CO 0.12 -0.43 0.45 -1.83 -0.81 0.00 0.00 175.30 172.80 1za3 s GLU 93 N -2.70 1.81 0.27 5.12 -1.05 -1.24 -4.55 118.70 116.36 1za3 s GLU 93 Ca -0.04 -1.68 -0.03 0.00 -0.15 0.00 0.00 54.97 53.08 1za3 s GLU 93 Cb -0.00 0.44 0.58 0.00 -0.44 0.00 0.00 34.13 34.70 1za3 s GLU 93 CO -0.04 -0.74 1.62 1.49 0.95 0.00 0.00 175.26 178.54 1za3 h GLU 94 N 2.16 0.09 -0.08 -4.83 4.81 -2.01 -0.27 114.58 114.46 1za3 h GLU 94 Ca -0.28 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1za3 h GLU 94 Cb 1.24 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1za3 h GLU 94 CO 0.39 0.06 0.00 -0.25 -0.73 0.00 0.00 179.01 178.48 1za3 n ASP 95 N -5.38 1.38 -3.07 1.04 8.00 -1.26 -4.20 116.55 113.07 1za3 n ASP 95 Ca 0.18 -1.55 -0.17 0.00 0.71 0.00 0.00 54.79 53.96 1za3 n ASP 95 Cb 0.60 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.63 1za3 n ASP 95 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1za3 n SER 96 N 0.10 1.20 0.01 -2.24 3.41 -0.12 -4.91 113.62 111.07 1za3 n SER 96 Ca 0.18 -3.00 0.14 0.00 -0.26 0.00 0.00 58.87 55.93 1za3 n SER 96 Cb 0.31 -0.60 0.59 0.00 -0.26 0.00 0.00 64.21 64.25 1za3 n SER 96 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1za3 n PRO 97 N 0.18 0.02 0.12 4.33 -0.04 -1.14 -3.70 135.00 134.77 1za3 n PRO 97 Ca 0.23 0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.50 1za3 n PRO 97 Cb 0.68 -1.52 -0.15 0.00 -0.04 0.00 0.00 33.50 32.47 1za3 n PRO 97 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1za3 h GLU 98 N 0.00 0.40 -2.15 0.54 4.57 -1.90 -3.44 114.58 112.59 1za3 h GLU 98 Ca 0.00 -0.68 -0.33 0.00 -1.18 0.00 0.00 59.36 57.16 1za3 h GLU 98 Cb 0.51 0.25 -0.33 0.00 -0.16 0.00 0.00 28.75 29.03 1za3 h GLU 98 CO 0.00 1.32 -0.64 1.41 -1.18 0.00 0.00 179.01 179.92 1za3 s MET 99 N -2.63 0.33 0.27 1.92 1.75 -1.26 -4.97 119.30 114.71 1za3 s MET 99 Ca -0.07 -0.18 -0.05 0.00 -1.25 0.00 0.00 55.69 54.14 1za3 s MET 99 Cb 0.06 -0.67 -0.04 0.00 2.84 0.00 0.00 34.83 37.02 1za3 s MET 99 CO 0.91 -1.04 -0.20 0.00 -0.65 0.00 0.00 175.02 174.04 1za3 s ARG 101 N -0.53 0.60 0.28 0.00 0.52 -0.85 -4.92 118.95 114.05 1za3 s ARG 101 Ca 0.12 -0.10 -0.30 0.00 -0.52 0.00 0.00 55.73 54.93 1za3 s ARG 101 Cb -0.06 -0.64 -0.12 0.00 0.52 0.00 0.00 34.95 34.65 1za3 s ARG 101 CO 0.23 -0.03 1.53 1.63 0.02 0.00 0.00 175.30 178.68 1za3 n LYS 102 N 3.72 2.49 -1.94 3.54 5.02 -1.26 -1.06 118.16 128.67 1za3 n LYS 102 Ca -0.22 0.88 -0.32 0.00 -2.02 0.00 0.00 58.31 56.63 1za3 n LYS 102 Cb 0.53 -2.62 0.02 0.00 -0.02 0.00 0.00 35.03 32.94 1za3 n LYS 102 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1za3 s ARG 104 N -4.28 4.73 0.29 0.00 0.52 -1.26 -4.96 118.95 113.99 1za3 s ARG 104 Ca 0.62 1.35 0.10 0.00 -0.52 0.00 0.00 55.73 57.28 1za3 s ARG 104 Cb -0.16 -3.28 0.40 0.00 0.52 0.00 0.00 34.95 32.44 1za3 s ARG 104 CO 0.41 0.52 1.64 1.79 0.02 0.00 0.00 175.30 179.68 1za3 h THR 105 N 3.27 1.41 -2.75 0.02 1.35 -2.00 -3.45 112.91 110.77 1za3 h THR 105 Ca -0.46 -1.96 -0.08 0.00 -0.55 0.00 0.00 66.41 63.37 1za3 h THR 105 Cb 1.20 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 69.66 1za3 h THR 105 CO 0.67 0.56 0.03 0.61 -0.25 0.00 0.00 175.52 177.15 1za3 n GLY 106 N 0.13 2.04 3.94 5.82 0.00 -1.26 -5.17 105.19 110.68 1za3 n GLY 106 Ca -0.01 -1.31 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 1za3 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1za3 n PRO 108 N -2.33 -0.81 -2.53 0.00 -0.02 -1.26 -4.97 135.00 123.08 1za3 n PRO 108 Ca 0.03 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.11 1za3 n PRO 108 Cb 0.58 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 34.01 1za3 n PRO 108 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1za3 s ARG 109 N -2.60 4.64 -0.98 -0.52 0.52 -1.26 -3.56 118.95 115.20 1za3 s ARG 109 Ca 0.00 1.72 0.00 0.00 -0.52 0.00 0.00 55.73 56.93 1za3 s ARG 109 Cb 0.00 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 32.22 1za3 s ARG 109 CO 0.00 0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.91 1za3 n GLY 110 N 1.68 0.90 3.07 -3.53 0.00 -1.26 -5.02 105.19 101.04 1za3 n GLY 110 Ca 0.01 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 1za3 n GLY 110 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1za3 s MET 111 N -3.12 0.56 0.14 1.61 -1.94 -1.23 -4.95 119.30 110.37 1za3 s MET 111 Ca 0.00 -0.85 0.06 0.00 -1.71 0.00 0.00 55.69 53.19 1za3 s MET 111 Cb 0.00 -0.23 -0.04 0.00 2.01 0.00 0.00 34.83 36.57 1za3 s MET 111 CO 0.00 0.03 -0.14 0.14 -0.01 0.00 0.00 175.02 175.04 1za3 s VAL 112 N -1.83 1.42 0.08 -6.03 -7.23 -1.25 -4.67 120.40 100.89 1za3 s VAL 112 Ca -0.06 -1.85 -0.31 0.00 -1.81 0.00 0.00 61.98 57.95 1za3 s VAL 112 Cb -0.07 -1.68 -0.09 0.00 0.56 0.00 0.00 36.38 35.10 1za3 s VAL 112 CO -0.01 -0.47 1.84 -0.54 -0.31 0.00 0.00 175.10 175.61 1za3 s LYS 113 N -2.96 4.15 0.02 4.82 -0.14 -1.26 -3.87 119.74 120.50 1za3 s LYS 113 Ca 0.12 2.55 -0.03 0.00 -1.36 0.00 0.00 55.97 57.25 1za3 s LYS 113 Cb -0.03 -3.77 -0.02 0.00 -1.68 0.00 0.00 37.83 32.33 1za3 s LYS 113 CO 0.04 -0.86 -0.07 0.28 -0.76 0.00 0.00 175.35 173.98 1za3 n VAL 114 N 5.00 1.00 -4.15 3.17 0.31 -0.62 -5.03 118.33 118.00 1za3 n VAL 114 Ca 0.18 0.23 -0.33 0.00 -0.01 0.00 0.00 64.34 64.41 1za3 n VAL 114 Cb 0.39 -1.69 -0.08 0.00 -0.91 0.00 0.00 33.84 31.56 1za3 n VAL 114 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1za3 s GLY 115 N -4.45 1.98 0.92 2.92 0.00 -1.15 -4.97 107.32 102.57 1za3 s GLY 115 Ca -0.06 -0.88 -0.15 0.00 0.00 0.00 0.00 44.72 43.63 1za3 s GLY 115 CO 0.09 -0.75 1.28 0.99 0.00 0.00 0.00 173.10 174.70 1za3 s ASP 116 N -1.65 3.54 -0.00 1.64 1.01 -1.26 -2.35 116.67 117.59 1za3 s ASP 116 Ca 0.22 0.43 -0.30 0.00 0.71 0.00 0.00 52.55 53.61 1za3 s ASP 116 Cb -0.12 -0.62 -0.03 0.00 1.01 0.00 0.00 42.92 43.16 1za3 s ASP 116 CO 0.12 -2.48 0.97 0.00 0.21 0.00 0.00 175.17 173.99 1za3 s THR 118 N 1.02 1.07 -0.70 0.00 -4.23 -1.15 -5.00 115.64 106.63 1za3 s THR 118 Ca 0.51 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.12 1za3 s THR 118 Cb -0.21 -2.75 0.09 0.00 1.34 0.00 0.00 72.50 70.98 1za3 s THR 118 CO 0.27 0.00 1.29 -2.65 -0.54 0.00 0.00 174.62 172.99 1za3 n PRO 119 N -0.67 0.06 0.00 3.99 -0.02 -1.25 -3.20 135.00 133.90 1za3 n PRO 119 Ca -0.02 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1za3 n PRO 119 Cb 0.66 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 1za3 n PRO 119 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1za3 n TRP 120 N -1.79 0.00 -3.67 6.00 8.01 -1.26 -2.34 117.44 122.38 1za3 n TRP 120 Ca -0.00 -0.44 -0.08 0.00 -1.31 0.00 0.00 57.50 55.66 1za3 n TRP 120 Cb 0.03 -0.04 -0.02 0.00 -2.01 0.00 0.00 31.31 29.27 1za3 n TRP 120 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 1za3 s SER 121 N -0.89 -0.35 0.98 -0.99 1.04 -1.19 -4.53 113.70 107.76 1za3 s SER 121 Ca 0.00 -0.33 -0.15 0.00 0.48 0.00 0.00 55.95 55.95 1za3 s SER 121 Cb 0.00 0.61 0.19 0.00 0.10 0.00 0.00 66.02 66.92 1za3 s SER 121 CO 0.00 -1.08 1.23 -0.62 0.98 0.00 0.00 173.24 173.75 1za3 s ASP 122 N -2.83 2.92 0.77 7.02 -1.08 -1.26 -2.95 116.67 119.27 1za3 s ASP 122 Ca 0.08 0.53 -0.11 0.00 -0.52 0.00 0.00 52.55 52.52 1za3 s ASP 122 Cb -0.03 -0.76 0.06 0.00 -1.46 0.00 0.00 42.92 40.73 1za3 s ASP 122 CO -0.01 -2.87 1.11 0.27 0.52 0.00 0.00 175.17 174.18 1za3 s ILE 123 N -3.57 3.10 -0.16 4.11 -4.36 -1.25 -4.51 121.20 114.56 1za3 s ILE 123 Ca 0.70 0.39 0.01 0.00 -0.26 0.00 0.00 60.65 61.49 1za3 s ILE 123 Cb -0.08 -2.82 0.02 0.00 1.25 0.00 0.00 42.46 40.83 1za3 s ILE 123 CO 0.53 -0.44 -0.19 -0.70 0.24 0.00 0.00 174.94 174.38 1za3 s GLU 124 N -4.70 2.85 0.07 0.37 2.12 -0.99 -4.97 118.70 113.45 1za3 s GLU 124 Ca 0.63 -0.78 0.09 0.00 0.36 0.00 0.00 54.97 55.28 1za3 s GLU 124 Cb -0.19 -2.44 -0.03 0.00 0.26 0.00 0.00 34.13 31.73 1za3 s GLU 124 CO 0.54 -0.17 -0.26 0.00 -0.54 0.00 0.00 175.26 174.83