#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jza n SER 2 N 0.00 1.77 -1.15 7.83 2.88 -1.26 -4.65 113.62 119.03 2jza n SER 2 Ca 0.00 0.30 0.04 0.00 -1.33 0.00 0.00 58.87 57.88 2jza n SER 2 Cb 0.00 -0.73 0.26 0.00 -0.75 0.00 0.00 64.21 62.99 2jza n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jza n GLN 3 N -4.16 2.90 -3.31 -1.46 6.02 -1.26 -4.94 117.38 111.17 2jza n GLN 3 Ca -0.42 -2.96 -0.41 0.00 -0.01 0.00 0.00 57.00 53.20 2jza n GLN 3 Cb 0.78 -1.91 -0.08 0.00 1.02 0.00 0.00 30.24 30.04 2jza n GLN 3 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2jza s TRP 4 N -2.94 3.20 -0.18 1.08 0.52 -1.26 -2.61 118.94 116.75 2jza s TRP 4 Ca 0.45 0.19 -0.07 0.00 0.02 0.00 0.00 56.10 56.69 2jza s TRP 4 Cb 0.37 -2.78 -0.04 0.00 -1.15 0.00 0.00 33.47 29.87 2jza s TRP 4 CO 0.08 -0.44 0.04 0.99 0.02 0.00 0.00 176.95 177.64 2jza s THR 5 N 2.23 4.54 -0.22 2.01 2.01 -0.45 -4.92 115.64 120.84 2jza s THR 5 Ca 0.16 -0.12 -0.29 0.00 0.31 0.00 0.00 61.69 61.75 2jza s THR 5 Cb -0.16 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.28 2jza s THR 5 CO 0.12 0.46 1.58 -0.89 -0.69 0.00 0.00 174.62 175.19 2jza s THR 6 N 0.48 3.75 0.00 -0.82 2.01 -1.26 -2.68 115.64 117.12 2jza s THR 6 Ca 0.02 0.85 0.00 0.00 0.31 0.00 0.00 61.69 62.86 2jza s THR 6 Cb -0.13 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.63 2jza s THR 6 CO 0.01 -0.30 0.00 0.52 -0.69 0.00 0.00 174.62 174.16 2jza n VAL 7 N 6.34 0.00 -4.10 3.82 0.31 -0.14 -5.01 118.33 119.55 2jza n VAL 7 Ca 0.18 0.10 -0.12 0.00 -0.01 0.00 0.00 64.34 64.49 2jza n VAL 7 Cb 0.45 -0.60 -0.06 0.00 -0.91 0.00 0.00 33.84 32.72 2jza n VAL 7 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jza s LYS 9 N -3.75 4.47 0.51 0.00 1.02 -1.26 -0.92 119.74 119.80 2jza s LYS 9 Ca 0.31 1.08 0.30 0.00 0.02 0.00 0.00 55.97 57.68 2jza s LYS 9 Cb 0.02 -3.08 1.19 0.00 -0.52 0.00 0.00 37.83 35.44 2jza s LYS 9 CO 0.14 0.48 1.93 1.25 -0.92 0.00 0.00 175.35 178.23 2jza h LEU 10 N 3.89 0.00 -1.40 3.17 5.85 -1.54 -2.70 115.31 122.57 2jza h LEU 10 Ca -0.47 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 2jza h LEU 10 Cb 1.20 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2jza h LEU 10 CO 0.66 0.08 0.15 -0.78 -0.34 0.00 0.00 178.44 178.20 2jza h ASP 11 N 0.00 0.50 0.70 1.25 3.58 -1.93 -1.48 116.42 119.03 2jza h ASP 11 Ca -0.00 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2jza h ASP 11 Cb 0.60 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.52 2jza h ASP 11 CO 0.01 0.46 -0.53 -0.67 -2.88 0.00 0.00 179.24 175.63 2jza n ASP 12 N -4.38 0.56 -4.59 2.28 2.03 -1.03 -4.76 116.55 106.66 2jza n ASP 12 Ca 0.03 -0.02 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 2jza n ASP 12 Cb 0.15 0.17 -0.03 0.00 -0.72 0.00 0.00 41.12 40.69 2jza n ASP 12 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2jza s ILE 13 N -3.08 4.36 0.17 5.18 1.01 -0.56 -4.98 121.20 123.31 2jza s ILE 13 Ca 0.09 1.12 -0.33 0.00 0.00 0.00 0.00 60.65 61.52 2jza s ILE 13 Cb 0.16 -4.50 -0.13 0.00 0.01 0.00 0.00 42.46 37.99 2jza s ILE 13 CO 0.70 -0.85 1.61 0.18 0.00 0.00 0.00 174.94 176.58 2jza n LEU 14 N 7.42 3.31 -4.67 2.97 4.32 -1.26 -4.92 117.00 124.17 2jza n LEU 14 Ca 0.10 1.08 -0.42 0.00 -0.02 0.00 0.00 56.01 56.74 2jza n LEU 14 Cb 0.49 -1.46 -0.03 0.00 -1.62 0.00 0.00 43.42 40.80 2jza n LEU 14 CO 0.67 -0.18 1.31 -2.84 -1.22 0.00 0.00 177.39 175.13 2jza s PRO 15 N 0.94 4.20 0.00 3.23 0.02 -1.26 -3.26 135.00 138.86 2jza s PRO 15 Ca 0.78 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.95 2jza s PRO 15 Cb -0.64 -3.86 0.00 0.00 0.02 0.00 0.00 34.50 30.02 2jza s PRO 15 CO 0.37 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 2jza n GLY 16 N 4.02 1.32 0.42 0.52 0.00 0.22 -4.97 105.19 106.71 2jza n GLY 16 Ca 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 2jza n GLY 16 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jza n THR 17 N -0.77 0.00 0.00 2.61 -2.24 -1.05 -4.94 114.28 107.89 2jza n THR 17 Ca 0.00 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2jza n THR 17 Cb 0.07 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 2jza n THR 17 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jza n GLY 18 N 0.75 -0.71 3.28 3.38 0.00 -1.24 -0.19 105.19 110.46 2jza n GLY 18 Ca 0.00 0.80 -0.15 0.00 0.00 0.00 0.00 46.02 46.67 2jza n GLY 18 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jza s VAL 19 N 0.00 0.72 -0.23 1.61 -7.23 -1.23 -4.76 120.40 109.29 2jza s VAL 19 Ca 0.00 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.88 2jza s VAL 19 Cb 0.00 -2.28 0.01 0.00 0.56 0.00 0.00 36.38 34.66 2jza s VAL 19 CO 0.00 -0.33 1.04 0.00 -0.31 0.00 0.00 175.10 175.49 2jza s ALA 21 N 3.18 3.59 -0.44 0.00 0.00 0.97 -4.80 121.76 124.25 2jza s ALA 21 Ca 0.44 -0.34 -0.15 0.00 0.00 0.00 0.00 51.96 51.90 2jza s ALA 21 Cb -0.15 -2.39 0.05 0.00 0.00 0.00 0.00 23.12 20.62 2jza s ALA 21 CO 0.06 0.47 0.36 -1.17 0.00 0.00 0.00 175.76 175.48 2jza s LEU 22 N -2.95 5.37 -0.27 0.00 1.98 -1.26 -1.99 118.68 119.55 2jza s LEU 22 Ca 0.46 -1.11 -0.03 0.00 -2.89 0.00 0.00 54.13 50.56 2jza s LEU 22 Cb -0.11 -2.19 0.03 0.00 0.66 0.00 0.00 46.19 44.58 2jza s LEU 22 CO 0.23 -0.56 -0.01 -0.69 -1.89 0.00 0.00 176.35 173.42 2jza s VAL 23 N 1.70 3.15 0.00 1.68 1.01 -0.17 -4.89 120.40 122.88 2jza s VAL 23 Ca 0.05 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2jza s VAL 23 Cb -0.22 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2jza s VAL 23 CO 0.08 0.09 0.00 -0.62 0.00 0.00 0.00 175.10 174.66 2jza n GLU 24 N 4.70 0.00 -0.44 2.72 -0.58 -1.26 -0.06 120.64 125.72 2jza n GLU 24 Ca -0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 2jza n GLU 24 Cb 0.46 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.33 2jza n GLU 24 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jza n GLN 25 N 0.00 0.00 -3.84 3.49 -0.00 -1.26 -5.06 117.38 110.71 2jza n GLN 25 Ca 0.00 -0.28 -0.35 0.00 -0.00 0.00 0.00 57.00 56.37 2jza n GLN 25 Cb 0.00 -0.15 -0.09 0.00 -0.00 0.00 0.00 30.24 30.00 2jza n GLN 25 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2jza s GLN 26 N 0.00 4.06 -0.19 2.61 -1.52 0.91 -4.93 119.66 120.60 2jza s GLN 26 Ca 0.00 -0.29 -0.09 0.00 -1.95 0.00 0.00 55.36 53.03 2jza s GLN 26 Cb 0.00 -3.35 -0.05 0.00 -0.22 0.00 0.00 33.01 29.40 2jza s GLN 26 CO 0.00 0.24 0.10 -0.65 -0.25 0.00 0.00 175.29 174.73 2jza s GLN 27 N 0.51 4.08 -0.07 2.91 -0.21 -1.26 -1.00 119.66 124.62 2jza s GLN 27 Ca 0.06 -0.27 0.02 0.00 0.02 0.00 0.00 55.36 55.20 2jza s GLN 27 Cb -0.12 -3.33 0.01 0.00 1.00 0.00 0.00 33.01 30.57 2jza s GLN 27 CO 0.00 0.31 -0.14 0.96 -2.12 0.00 0.00 175.29 174.30 2jza s ILE 28 N 0.31 1.25 -0.38 1.08 -5.25 -0.84 -4.71 121.20 112.67 2jza s ILE 28 Ca 0.06 -0.54 -0.25 0.00 -0.99 0.00 0.00 60.65 58.93 2jza s ILE 28 Cb -0.12 -1.13 0.01 0.00 2.95 0.00 0.00 42.46 44.18 2jza s ILE 28 CO -0.01 0.38 0.86 0.00 -1.79 0.00 0.00 174.94 174.38 2jza s ALA 29 N 0.64 3.39 -0.62 2.27 0.00 0.23 -0.02 121.76 127.65 2jza s ALA 29 Ca -0.15 -0.59 -0.17 0.00 0.00 0.00 0.00 51.96 51.05 2jza s ALA 29 Cb -0.16 -3.48 0.13 0.00 0.00 0.00 0.00 23.12 19.61 2jza s ALA 29 CO 0.04 -1.62 0.65 0.08 0.00 0.00 0.00 175.76 174.92 2jza s VAL 30 N 3.34 5.06 -0.09 0.00 1.01 0.09 -1.06 120.40 128.76 2jza s VAL 30 Ca 0.35 -1.40 -0.28 0.00 0.00 0.00 0.00 61.98 60.65 2jza s VAL 30 Cb -0.12 -4.45 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 2jza s VAL 30 CO 0.19 -1.04 0.93 -0.36 0.00 0.00 0.00 175.10 174.83 2jza s PHE 31 N 1.96 3.53 -0.70 5.22 0.40 0.17 -3.58 117.98 124.98 2jza s PHE 31 Ca 0.10 1.51 0.05 0.00 -0.60 0.00 0.00 56.93 57.99 2jza s PHE 31 Cb -0.24 -3.10 0.18 0.00 0.51 0.00 0.00 43.02 40.38 2jza s PHE 31 CO 0.02 -0.15 0.54 -2.13 0.70 0.00 0.00 175.22 174.20 2jza n ARG 32 N 4.69 1.95 0.24 0.44 0.63 0.74 -0.23 116.66 125.12 2jza n ARG 32 Ca 0.06 -4.52 0.14 0.00 -0.92 0.00 0.00 57.85 52.60 2jza n ARG 32 Cb 0.49 -2.28 0.34 0.00 0.45 0.00 0.00 32.46 31.46 2jza n ARG 32 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 2jza h PRO 33 N 5.19 0.00 -6.15 -0.14 0.11 -1.81 0.63 132.00 129.83 2jza h PRO 33 Ca 0.16 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.69 2jza h PRO 33 Cb 0.74 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.78 2jza h PRO 33 CO 0.74 0.00 -0.55 1.03 -0.21 0.00 0.00 178.00 179.01 2jza s ARG 34 N -3.36 3.03 0.00 1.05 0.52 -1.26 -4.59 118.95 114.34 2jza s ARG 34 Ca 0.05 -0.76 0.12 0.00 -0.52 0.00 0.00 55.73 54.63 2jza s ARG 34 Cb 0.06 -2.75 0.74 0.00 0.52 0.00 0.00 34.95 33.53 2jza s ARG 34 CO 0.63 0.51 1.41 0.09 0.02 0.00 0.00 175.30 177.96 2jza n ASN 35 N -0.19 0.00 -1.57 0.23 3.02 -1.26 -4.40 115.26 111.08 2jza n ASN 35 Ca -0.08 -1.43 0.00 0.00 -0.03 0.00 0.00 54.58 53.04 2jza n ASN 35 Cb 0.54 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 2jza n ASN 35 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2jza n ASP 36 N -0.71 0.00 -0.62 6.41 2.03 -1.26 -5.02 116.55 117.37 2jza n ASP 36 Ca 0.09 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.47 2jza n ASP 36 Cb 0.04 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.53 2jza n ASP 36 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jza n GLU 37 N 0.00 1.42 -2.33 -0.67 1.02 -1.26 -4.90 120.64 113.92 2jza n GLU 37 Ca 0.00 -1.55 -0.41 0.00 -0.02 0.00 0.00 57.16 55.18 2jza n GLU 37 Cb 0.00 -1.29 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 2jza n GLU 37 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2jza s GLN 38 N -1.12 3.13 0.32 3.49 2.00 -1.26 -4.97 119.66 121.24 2jza s GLN 38 Ca 0.20 0.38 0.07 0.00 -2.00 0.00 0.00 55.36 54.00 2jza s GLN 38 Cb 0.13 -4.20 -0.03 0.00 0.80 0.00 0.00 33.01 29.71 2jza s GLN 38 CO 0.18 -2.16 0.29 0.14 -0.50 0.00 0.00 175.29 173.25 2jza s VAL 39 N 6.70 3.79 -0.28 1.34 -7.23 -1.26 -4.59 120.40 118.87 2jza s VAL 39 Ca 0.53 -1.33 -0.02 0.00 -1.81 0.00 0.00 61.98 59.34 2jza s VAL 39 Cb -0.11 -3.26 0.09 0.00 0.56 0.00 0.00 36.38 33.66 2jza s VAL 39 CO 0.22 -0.21 0.10 -0.31 -0.31 0.00 0.00 175.10 174.59 2jza s TYR 40 N -2.25 1.04 -0.67 2.82 2.02 0.68 -4.96 117.35 116.01 2jza s TYR 40 Ca 0.40 -1.23 -0.15 0.00 -0.37 0.00 0.00 57.07 55.72 2jza s TYR 40 Cb -0.07 -1.27 0.17 0.00 -0.40 0.00 0.00 41.96 40.39 2jza s TYR 40 CO 0.27 -0.80 0.62 0.00 -1.57 0.00 0.00 175.55 174.06 2jza s ALA 41 N 1.85 3.85 0.33 3.71 0.00 -1.25 0.44 121.76 130.68 2jza s ALA 41 Ca 0.08 -2.92 0.09 0.00 0.00 0.00 0.00 51.96 49.21 2jza s ALA 41 Cb -0.17 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 2jza s ALA 41 CO -0.26 -2.14 0.02 0.96 0.00 0.00 0.00 175.76 174.34 2jza s ILE 42 N 0.90 2.76 -1.48 0.00 -4.36 -0.22 -3.62 121.20 115.18 2jza s ILE 42 Ca 0.10 -1.94 -0.12 0.00 -0.26 0.00 0.00 60.65 58.43 2jza s ILE 42 Cb -0.21 -2.81 0.03 0.00 1.25 0.00 0.00 42.46 40.72 2jza s ILE 42 CO -0.03 -0.22 2.39 -1.20 0.24 0.00 0.00 174.94 176.12 2jza n SER 43 N -0.96 5.50 -4.42 4.36 7.64 0.16 0.74 113.62 126.64 2jza n SER 43 Ca -0.04 -2.82 -0.45 0.00 1.01 0.00 0.00 58.87 56.57 2jza n SER 43 Cb 0.62 -1.60 -0.03 0.00 -1.01 0.00 0.00 64.21 62.19 2jza n SER 43 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2jza s ASN 44 N 2.50 6.57 0.01 6.43 3.84 -1.26 -3.26 114.94 129.77 2jza s ASN 44 Ca 0.52 -2.02 0.01 0.00 0.21 0.00 0.00 52.86 51.58 2jza s ASN 44 Cb 0.15 -2.35 -0.01 0.00 -0.55 0.00 0.00 41.25 38.49 2jza s ASN 44 CO -0.07 -1.00 -0.05 -0.63 -2.79 0.00 0.00 177.10 172.57 2jza s ILE 45 N 2.27 0.31 0.08 -5.21 1.01 -1.26 -3.92 121.20 114.48 2jza s ILE 45 Ca 0.26 -0.56 -0.20 0.00 0.00 0.00 0.00 60.65 60.16 2jza s ILE 45 Cb -0.09 -0.34 -0.07 0.00 0.01 0.00 0.00 42.46 41.97 2jza s ILE 45 CO -0.06 -0.17 0.58 1.51 0.00 0.00 0.00 174.94 176.80 2jza s ASP 46 N -0.77 7.08 -0.02 3.58 -4.77 0.26 -4.91 116.67 117.11 2jza s ASP 46 Ca -0.05 1.29 0.04 0.00 -3.30 0.00 0.00 52.55 50.52 2jza s ASP 46 Cb -0.05 -2.37 0.15 0.00 -1.09 0.00 0.00 42.92 39.55 2jza s ASP 46 CO -0.00 0.27 0.92 -0.81 0.70 0.00 0.00 175.17 176.25 2jza n PRO 47 N 1.70 1.56 -0.10 2.11 -0.05 -1.26 -1.87 135.00 137.09 2jza n PRO 47 Ca -0.10 -0.58 -0.15 0.00 -0.05 0.00 0.00 63.50 62.62 2jza n PRO 47 Cb 0.51 -1.39 -0.05 0.00 -0.05 0.00 0.00 33.50 32.52 2jza n PRO 47 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 175.50 175.79 2jza n PHE 48 N 0.03 0.00 -0.02 0.54 7.35 -1.26 -4.77 117.46 119.33 2jza n PHE 48 Ca 0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 2jza n PHE 48 Cb 0.28 -0.63 0.00 0.00 0.35 0.00 0.00 39.48 39.49 2jza n PHE 48 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2jza n ALA 49 N -4.31 2.33 -2.79 3.13 0.00 -1.26 -5.05 120.51 112.56 2jza n ALA 49 Ca -0.26 -0.38 -0.01 0.00 0.00 0.00 0.00 53.44 52.78 2jza n ALA 49 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2jza n ALA 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jza n GLN 50 N -0.22 -1.31 -3.99 0.00 1.13 -0.78 -5.04 117.38 107.17 2jza n GLN 50 Ca 0.00 1.46 -0.10 0.00 -1.94 0.00 0.00 57.00 56.42 2jza n GLN 50 Cb 0.00 -5.12 -0.04 0.00 0.11 0.00 0.00 30.24 25.20 2jza n GLN 50 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jza s ALA 51 N -2.87 -0.11 -1.23 -1.58 0.00 -1.25 -4.91 121.76 109.81 2jza s ALA 51 Ca 0.04 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.95 2jza s ALA 51 Cb -0.01 1.03 0.20 0.00 0.00 0.00 0.00 23.12 24.34 2jza s ALA 51 CO 0.64 -0.86 1.93 0.45 0.00 0.00 0.00 175.76 177.92 2jza n SER 52 N -0.75 6.32 0.01 0.00 2.88 -1.25 -0.58 113.62 120.26 2jza n SER 52 Ca -0.02 -3.23 0.13 0.00 -1.33 0.00 0.00 58.87 54.42 2jza n SER 52 Cb 0.61 -1.38 0.40 0.00 -0.75 0.00 0.00 64.21 63.09 2jza n SER 52 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2jza n VAL 53 N 2.22 0.05 1.24 2.46 0.24 -1.26 -3.16 118.33 120.12 2jza n VAL 53 Ca 0.44 -0.03 0.04 0.00 -2.04 0.00 0.00 64.34 62.75 2jza n VAL 53 Cb 0.32 -0.11 0.13 0.00 -1.47 0.00 0.00 33.84 32.71 2jza n VAL 53 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2jza n LEU 54 N -1.58 1.30 -0.04 1.34 4.77 -1.26 -4.06 117.00 117.48 2jza n LEU 54 Ca 0.06 -0.64 -0.01 0.00 -0.03 0.00 0.00 56.01 55.38 2jza n LEU 54 Cb 0.35 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2jza n LEU 54 CO 0.32 0.32 -0.10 -1.28 -1.33 0.00 0.00 177.39 175.32 2jza h SER 55 N 1.44 0.00 0.00 -1.43 0.87 -1.86 -3.34 113.55 109.23 2jza h SER 55 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jza h SER 55 Cb 0.33 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2jza h SER 55 CO 0.00 0.41 0.00 -1.14 -0.53 0.00 0.00 176.83 175.57 2jza n ARG 56 N -3.84 0.00 -0.97 2.24 0.63 -1.26 -3.03 116.66 110.43 2jza n ARG 56 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 2jza n ARG 56 Cb 0.08 -2.61 0.00 0.00 0.45 0.00 0.00 32.46 30.38 2jza n ARG 56 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jza n GLY 57 N -1.92 0.63 3.41 5.14 0.00 -1.26 -4.98 105.19 106.21 2jza n GLY 57 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2jza n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jza s ILE 58 N -2.65 5.14 -0.52 -0.61 -1.09 -1.17 -5.00 121.20 115.30 2jza s ILE 58 Ca 0.00 -0.87 -0.16 0.00 -2.23 0.00 0.00 60.65 57.38 2jza s ILE 58 Cb 0.00 -4.15 0.11 0.00 -1.58 0.00 0.00 42.46 36.83 2jza s ILE 58 CO 0.00 -0.61 0.49 -0.69 -1.23 0.00 0.00 174.94 172.90 2jza s VAL 59 N 1.90 5.17 0.34 2.92 1.01 -1.26 -1.53 120.40 128.95 2jza s VAL 59 Ca 0.07 -1.28 -0.04 0.00 0.00 0.00 0.00 61.98 60.74 2jza s VAL 59 Cb -0.22 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 2jza s VAL 59 CO 0.08 -0.80 0.59 0.00 0.00 0.00 0.00 175.10 174.98 2jza s ALA 60 N 1.75 3.60 -0.08 5.51 0.00 0.23 -4.94 121.76 127.84 2jza s ALA 60 Ca 0.05 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.38 2jza s ALA 60 Cb -0.27 -2.30 0.02 0.00 0.00 0.00 0.00 23.12 20.56 2jza s ALA 60 CO 0.05 0.07 -0.11 -2.00 0.00 0.00 0.00 175.76 173.77 2jza s GLU 61 N -3.95 1.62 -0.07 0.00 2.12 -1.26 -0.29 118.70 116.86 2jza s GLU 61 Ca 0.43 -0.36 -0.24 0.00 0.36 0.00 0.00 54.97 55.17 2jza s GLU 61 Cb -0.10 -1.44 -0.29 0.00 0.26 0.00 0.00 34.13 32.55 2jza s GLU 61 CO 0.34 -0.06 0.88 1.25 -0.54 0.00 0.00 175.26 177.12 2jza h HIS 62 N 7.33 0.40 0.00 5.30 -0.00 -1.59 -3.49 115.15 123.10 2jza h HIS 62 Ca -0.31 -0.28 0.00 0.00 -0.00 0.00 0.00 60.37 59.78 2jza h HIS 62 Cb 1.17 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.56 2jza h HIS 62 CO 0.48 1.21 0.00 0.94 -0.00 0.00 0.00 177.93 180.56 2jza n GLN 63 N -4.27 0.00 -0.00 5.26 7.27 -1.26 -4.91 117.38 119.47 2jza n GLN 63 Ca -0.13 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.04 2jza n GLN 63 Cb 0.71 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 33.23 2jza n GLN 63 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2jza n ASP 64 N 0.00 0.68 -4.65 1.69 9.92 -1.26 -4.96 116.55 117.97 2jza n ASP 64 Ca 0.00 -0.46 -0.30 0.00 -0.53 0.00 0.00 54.79 53.50 2jza n ASP 64 Cb 0.00 1.47 -0.09 0.00 -0.64 0.00 0.00 41.12 41.86 2jza n ASP 64 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2jza s ASP 65 N -3.57 4.84 -0.12 -2.24 2.15 -1.26 -5.12 116.67 111.35 2jza s ASP 65 Ca -0.00 -0.23 0.01 0.00 0.43 0.00 0.00 52.55 52.76 2jza s ASP 65 Cb 0.14 -1.09 -0.01 0.00 -0.30 0.00 0.00 42.92 41.65 2jza s ASP 65 CO 0.81 0.18 -0.15 -0.76 -0.17 0.00 0.00 175.17 175.08 2jza s LEU 66 N -2.24 2.60 -0.13 -1.34 1.43 -1.26 -1.33 118.68 116.41 2jza s LEU 66 Ca 0.24 -0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2jza s LEU 66 Cb -0.11 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.56 2jza s LEU 66 CO 0.16 0.18 -0.09 0.26 0.23 0.00 0.00 176.35 177.09 2jza s TRP 67 N 0.24 1.76 0.25 0.29 0.52 0.60 -0.29 118.94 122.30 2jza s TRP 67 Ca -0.10 -0.97 -0.30 0.00 0.02 0.00 0.00 56.10 54.76 2jza s TRP 67 Cb -0.16 -1.37 -0.09 0.00 -1.15 0.00 0.00 33.47 30.70 2jza s TRP 67 CO 0.06 -0.58 1.13 0.54 0.02 0.00 0.00 176.95 178.11 2jza s VAL 68 N 1.62 3.53 -0.34 4.03 0.11 -1.26 -0.60 120.40 127.49 2jza s VAL 68 Ca 0.04 1.45 -0.06 0.00 -2.93 0.00 0.00 61.98 60.48 2jza s VAL 68 Cb -0.13 -3.92 0.04 0.00 -1.53 0.00 0.00 36.38 30.84 2jza s VAL 68 CO -0.09 0.31 0.10 0.00 -3.33 0.00 0.00 175.10 172.09 2jza s ALA 69 N -0.80 3.03 0.60 1.54 0.00 -0.58 -0.47 121.76 125.07 2jza s ALA 69 Ca 0.47 -1.77 -0.16 0.00 0.00 0.00 0.00 51.96 50.50 2jza s ALA 69 Cb -0.32 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 2jza s ALA 69 CO 0.40 -1.35 1.07 -1.12 0.00 0.00 0.00 175.76 174.77 2jza s SER 70 N 1.42 5.66 0.00 0.00 0.01 -0.46 -4.52 113.70 115.80 2jza s SER 70 Ca -0.02 1.90 0.22 0.00 1.31 0.00 0.00 55.95 59.36 2jza s SER 70 Cb -0.20 -2.54 1.09 0.00 0.21 0.00 0.00 66.02 64.58 2jza s SER 70 CO 0.02 -1.25 1.70 -0.81 0.41 0.00 0.00 173.24 173.32 2jza n PRO 71 N -1.98 0.29 0.00 12.44 -0.04 -1.26 -2.04 135.00 142.41 2jza n PRO 71 Ca 0.09 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2jza n PRO 71 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2jza n PRO 71 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2jza n LEU 72 N -1.30 0.60 -0.40 1.53 4.32 -1.26 -4.50 117.00 115.99 2jza n LEU 72 Ca 0.10 0.54 0.07 0.00 -0.02 0.00 0.00 56.01 56.70 2jza n LEU 72 Cb 0.18 -0.22 0.15 0.00 -1.62 0.00 0.00 43.42 41.91 2jza n LEU 72 CO 0.17 -0.22 0.43 0.29 -1.22 0.00 0.00 177.39 176.84 2jza n LYS 73 N -1.16 1.24 -3.08 3.23 5.02 -1.26 -4.94 118.16 117.22 2jza n LYS 73 Ca 0.00 -2.73 -0.22 0.00 -2.02 0.00 0.00 58.31 53.35 2jza n LYS 73 Cb 0.00 -1.39 0.02 0.00 -0.02 0.00 0.00 35.03 33.64 2jza n LYS 73 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2jza n LYS 74 N -1.09 -3.98 -2.83 1.97 4.81 -0.87 -4.94 118.16 111.23 2jza n LYS 74 Ca 0.15 0.73 -0.39 0.00 -0.87 0.00 0.00 58.31 57.93 2jza n LYS 74 Cb 0.70 -5.50 -0.06 0.00 0.02 0.00 0.00 35.03 30.18 2jza n LYS 74 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 2jza s GLN 75 N -5.74 4.70 -0.24 1.64 -2.07 -1.24 -4.70 119.66 112.01 2jza s GLN 75 Ca 0.30 1.34 -0.17 0.00 -1.82 0.00 0.00 55.36 55.02 2jza s GLN 75 Cb -0.15 -3.16 -0.03 0.00 -1.09 0.00 0.00 33.01 28.59 2jza s GLN 75 CO 0.37 0.48 0.47 -1.01 -1.32 0.00 0.00 175.29 174.28 2jza s HIS 76 N -1.28 3.30 -0.39 9.60 3.76 -1.25 -1.36 115.29 127.66 2jza s HIS 76 Ca 0.42 0.62 0.22 0.00 -0.15 0.00 0.00 55.06 56.17 2jza s HIS 76 Cb -0.23 -2.66 -0.12 0.00 1.11 0.00 0.00 32.58 30.68 2jza s HIS 76 CO 0.28 -0.20 0.83 1.19 -0.85 0.00 0.00 174.74 175.99 2jza n PHE 77 N 5.21 0.26 -0.75 1.40 3.01 0.38 -0.19 117.46 126.77 2jza n PHE 77 Ca -0.06 0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.48 2jza n PHE 77 Cb 0.50 -0.50 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 2jza n PHE 77 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2jza n ARG 78 N -2.13 -2.10 -0.18 -1.08 0.63 -1.26 -3.55 116.66 106.99 2jza n ARG 78 Ca -0.00 1.52 0.11 0.00 -0.92 0.00 0.00 57.85 58.55 2jza n ARG 78 Cb 0.49 -1.67 0.26 0.00 0.45 0.00 0.00 32.46 31.99 2jza n ARG 78 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2jza n LEU 79 N -0.09 2.95 0.01 6.15 4.77 0.61 -4.07 117.00 127.34 2jza n LEU 79 Ca 0.00 -1.30 -0.02 0.00 -0.03 0.00 0.00 56.01 54.66 2jza n LEU 79 Cb 0.00 -0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 40.75 2jza n LEU 79 CO 0.00 0.65 -0.39 0.00 -1.33 0.00 0.00 177.39 176.32 2jza n TYR 80 N 1.15 0.92 0.02 -1.77 9.36 -1.26 -4.93 117.16 120.64 2jza n TYR 80 Ca 0.19 0.31 0.00 0.00 3.32 0.00 0.00 57.90 61.72 2jza n TYR 80 Cb 0.52 -1.09 0.00 0.00 -0.63 0.00 0.00 39.34 38.14 2jza n TYR 80 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 2jza n ASP 81 N -2.89 -0.29 0.00 2.98 5.68 -1.26 -4.96 116.55 115.80 2jza n ASP 81 Ca -0.12 0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.23 2jza n ASP 81 Cb 0.89 0.72 0.00 0.00 -1.14 0.00 0.00 41.12 41.59 2jza n ASP 81 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jza n GLY 82 N -1.50 -0.03 3.53 6.12 0.00 -1.25 -3.47 105.19 108.59 2jza n GLY 82 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2jza n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jza s PHE 83 N 0.00 2.49 0.65 1.61 0.08 -1.25 -3.57 117.98 117.98 2jza s PHE 83 Ca 0.00 -0.47 -0.11 0.00 0.12 0.00 0.00 56.93 56.47 2jza s PHE 83 Cb 0.00 -4.57 -0.02 0.00 -0.57 0.00 0.00 43.02 37.86 2jza s PHE 83 CO 0.00 -1.92 1.05 0.00 -0.10 0.00 0.00 175.22 174.25 2jza n LEU 85 N -2.83 0.64 -0.27 0.00 7.94 0.73 -4.45 117.00 118.76 2jza n LEU 85 Ca 0.06 0.39 0.15 0.00 -1.11 0.00 0.00 56.01 55.49 2jza n LEU 85 Cb 0.55 -0.63 0.65 0.00 0.53 0.00 0.00 43.42 44.52 2jza n LEU 85 CO 0.58 -0.49 0.92 -0.62 -1.11 0.00 0.00 177.39 176.67 2jza n GLU 86 N -3.09 1.27 -4.81 1.96 4.71 -1.26 -4.80 120.64 114.63 2jza n GLU 86 Ca -0.03 -0.55 -0.33 0.00 -0.01 0.00 0.00 57.16 56.25 2jza n GLU 86 Cb 0.09 -1.49 -0.14 0.00 -1.01 0.00 0.00 31.44 28.90 2jza n GLU 86 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2jza s ASP 87 N -2.11 4.02 -0.01 1.62 2.15 -1.26 -4.94 116.67 116.14 2jza s ASP 87 Ca 0.39 -0.29 0.01 0.00 0.43 0.00 0.00 52.55 53.09 2jza s ASP 87 Cb 0.21 -1.39 0.02 0.00 -0.30 0.00 0.00 42.92 41.46 2jza s ASP 87 CO 0.38 0.22 0.80 0.61 -0.17 0.00 0.00 175.17 177.01 2jza n GLY 88 N 3.17 -0.48 0.05 2.66 0.00 -1.26 -4.19 105.19 105.14 2jza n GLY 88 Ca -0.18 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 2jza n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jza n ALA 89 N -0.14 1.79 -0.17 4.61 0.00 -1.26 -4.87 120.51 120.47 2jza n ALA 89 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2jza n ALA 89 Cb 0.58 0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.25 2jza n ALA 89 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jza n TYR 90 N -2.67 0.00 -2.60 0.00 4.01 -1.26 -5.08 117.16 109.56 2jza n TYR 90 Ca -0.17 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.52 2jza n TYR 90 Cb 0.71 -0.23 -0.05 0.00 -0.31 0.00 0.00 39.34 39.47 2jza n TYR 90 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2jza n SER 91 N -2.01 -0.59 -4.50 7.72 7.64 -1.26 -5.01 113.62 115.60 2jza n SER 91 Ca 0.00 1.36 -0.29 0.00 1.01 0.00 0.00 58.87 60.94 2jza n SER 91 Cb 0.00 -5.29 0.15 0.00 -1.01 0.00 0.00 64.21 58.06 2jza n SER 91 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2jza s VAL 92 N -0.72 1.96 0.52 0.44 -7.23 -1.23 -5.02 120.40 109.12 2jza s VAL 92 Ca -0.28 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 59.90 2jza s VAL 92 Cb 0.02 -2.88 -0.00 0.00 0.56 0.00 0.00 36.38 34.08 2jza s VAL 92 CO 0.80 0.00 0.06 0.00 -0.31 0.00 0.00 175.10 175.65 2jza s ALA 93 N -3.54 4.22 -0.16 1.32 0.00 -1.20 -3.94 121.76 118.45 2jza s ALA 93 Ca 0.67 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 52.20 2jza s ALA 93 Cb -0.09 -0.09 0.08 0.00 0.00 0.00 0.00 23.12 23.01 2jza s ALA 93 CO 0.52 -0.08 0.30 0.00 0.00 0.00 0.00 175.76 176.50 2jza s ALA 94 N -2.87 -0.68 0.13 0.00 0.00 -1.23 0.40 121.76 117.51 2jza s ALA 94 Ca 0.08 0.96 0.02 0.00 0.00 0.00 0.00 51.96 53.02 2jza s ALA 94 Cb 0.01 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 2jza s ALA 94 CO 0.05 -0.78 0.24 0.71 0.00 0.00 0.00 175.76 175.98 2jza s TYR 95 N 2.46 3.44 0.30 0.00 1.51 -1.24 -4.94 117.35 118.87 2jza s TYR 95 Ca 0.02 0.13 -0.29 0.00 -1.01 0.00 0.00 57.07 55.92 2jza s TYR 95 Cb -0.13 -1.67 -0.10 0.00 -0.11 0.00 0.00 41.96 39.96 2jza s TYR 95 CO -0.10 0.53 1.26 -0.51 -1.11 0.00 0.00 175.55 175.62 2jza s ASP 96 N -3.01 6.91 0.11 2.29 1.11 -1.26 -4.75 116.67 118.07 2jza s ASP 96 Ca 0.34 2.55 0.03 0.00 0.18 0.00 0.00 52.55 55.65 2jza s ASP 96 Cb -0.11 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.20 2jza s ASP 96 CO 0.27 -0.43 -0.08 -0.89 1.18 0.00 0.00 175.17 175.22 2jza s THR 97 N -0.99 0.84 -0.11 -1.27 2.01 -1.26 -1.33 115.64 113.53 2jza s THR 97 Ca 0.49 -1.88 -0.23 0.00 0.31 0.00 0.00 61.69 60.38 2jza s THR 97 Cb -0.37 -1.62 0.05 0.00 0.01 0.00 0.00 72.50 70.56 2jza s THR 97 CO 0.48 -0.77 0.55 0.00 -0.69 0.00 0.00 174.62 174.19 2jza s GLN 98 N -3.55 0.81 -0.45 4.92 -2.07 0.58 -4.99 119.66 114.92 2jza s GLN 98 Ca 0.11 0.36 -0.09 0.00 -1.82 0.00 0.00 55.36 53.92 2jza s GLN 98 Cb 0.03 0.38 0.10 0.00 -1.09 0.00 0.00 33.01 32.43 2jza s GLN 98 CO -0.03 -0.20 0.30 0.08 -1.32 0.00 0.00 175.29 174.13 2jza s VAL 99 N -0.64 4.18 -1.14 3.63 1.01 -1.26 -0.61 120.40 125.57 2jza s VAL 99 Ca -0.07 -1.63 -0.20 0.00 0.00 0.00 0.00 61.98 60.08 2jza s VAL 99 Cb -0.03 -3.68 0.08 0.00 0.00 0.00 0.00 36.38 32.75 2jza s VAL 99 CO 0.05 -0.66 1.52 -0.89 0.00 0.00 0.00 175.10 175.13 2jza s THR 100 N 1.38 4.21 0.00 3.92 2.01 -0.16 -4.68 115.64 122.32 2jza s THR 100 Ca 0.05 -1.50 0.00 0.00 0.31 0.00 0.00 61.69 60.54 2jza s THR 100 Cb -0.25 -5.07 0.00 0.00 0.01 0.00 0.00 72.50 67.20 2jza s THR 100 CO 0.00 -1.89 0.00 0.59 -0.69 0.00 0.00 174.62 172.63 2jza n ASN 101 N 8.09 0.00 0.00 3.53 4.13 -1.26 -1.85 115.26 127.90 2jza n ASN 101 Ca 0.39 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.65 2jza n ASN 101 Cb 0.48 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.72 2jza n ASN 101 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jza n GLY 102 N 0.00 -0.38 3.49 7.41 0.00 -1.26 -5.02 105.19 109.43 2jza n GLY 102 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2jza n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jza s ASN 103 N 0.00 5.61 -0.34 1.61 0.01 -0.77 -1.24 114.94 119.82 2jza s ASN 103 Ca 0.00 -0.27 -0.25 0.00 -0.71 0.00 0.00 52.86 51.63 2jza s ASN 103 Cb 0.00 -2.03 0.01 0.00 0.41 0.00 0.00 41.25 39.64 2jza s ASN 103 CO 0.00 -0.11 0.89 -0.69 -1.51 0.00 0.00 177.10 175.68 2jza s VAL 104 N 1.67 4.66 -0.05 1.60 1.01 -0.10 -0.99 120.40 128.20 2jza s VAL 104 Ca 0.06 1.23 0.05 0.00 0.00 0.00 0.00 61.98 63.32 2jza s VAL 104 Cb -0.16 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 2jza s VAL 104 CO 0.07 -0.43 -0.21 -1.10 0.00 0.00 0.00 175.10 173.44 2jza s GLN 105 N 3.29 2.19 0.37 2.72 -0.21 0.22 -0.97 119.66 127.28 2jza s GLN 105 Ca 0.37 -0.75 0.08 0.00 0.02 0.00 0.00 55.36 55.08 2jza s GLN 105 Cb -0.13 -1.86 -0.06 0.00 1.00 0.00 0.00 33.01 31.96 2jza s GLN 105 CO 0.16 0.29 0.02 0.96 -2.12 0.00 0.00 175.29 174.60 2jza s ILE 106 N -0.01 2.31 -0.23 1.08 -5.25 -1.09 -0.31 121.20 117.70 2jza s ILE 106 Ca -0.05 -1.99 -0.09 0.00 -0.99 0.00 0.00 60.65 57.53 2jza s ILE 106 Cb -0.13 -2.85 -0.05 0.00 2.95 0.00 0.00 42.46 42.38 2jza s ILE 106 CO 0.03 -0.11 0.13 -0.44 -1.79 0.00 0.00 174.94 172.76 2jza s SER 107 N -3.72 5.88 -0.47 4.36 0.01 -0.44 -1.35 113.70 117.97 2jza s SER 107 Ca 0.35 0.06 -0.18 0.00 1.31 0.00 0.00 55.95 57.50 2jza s SER 107 Cb 0.04 -2.05 0.05 0.00 0.21 0.00 0.00 66.02 64.27 2jza s SER 107 CO 0.19 0.07 0.52 0.27 0.41 0.00 0.00 173.24 174.70 2jza s ILE 108 N 1.00 5.02 -0.42 1.44 -5.25 -1.07 -4.68 121.20 117.24 2jza s ILE 108 Ca 0.06 -0.55 0.02 0.00 -0.99 0.00 0.00 60.65 59.19 2jza s ILE 108 Cb -0.14 -4.18 0.14 0.00 2.95 0.00 0.00 42.46 41.24 2jza s ILE 108 CO 0.04 -0.63 0.24 0.00 -1.79 0.00 0.00 174.94 172.80 2jza s ALA 109 N 2.27 1.80 -0.21 2.27 0.00 -1.26 -5.01 121.76 121.61 2jza s ALA 109 Ca 0.12 -2.41 -0.25 0.00 0.00 0.00 0.00 51.96 49.42 2jza s ALA 109 Cb -0.19 -1.80 0.07 0.00 0.00 0.00 0.00 23.12 21.20 2jza s ALA 109 CO 0.12 -2.07 0.69 0.34 0.00 0.00 0.00 175.76 174.83 2jza s ASP 110 N 0.49 -0.70 0.01 0.00 -1.08 -1.26 -5.04 116.67 109.08 2jza s ASP 110 Ca 0.19 1.23 0.23 0.00 -0.52 0.00 0.00 52.55 53.68 2jza s ASP 110 Cb -0.22 1.21 0.17 0.00 -1.46 0.00 0.00 42.92 42.62 2jza s ASP 110 CO -0.01 -0.32 1.17 -1.20 0.52 0.00 0.00 175.17 175.32 2jza n SER 111 N 2.29 0.70 -4.43 -0.34 7.64 -1.26 -4.75 113.62 113.47 2jza n SER 111 Ca -0.15 -0.53 -0.44 0.00 1.01 0.00 0.00 58.87 58.76 2jza n SER 111 Cb 0.56 0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 64.33 2jza n SER 111 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jza s ASP 112 N -3.12 6.49 -0.22 6.43 -1.08 -1.26 -4.99 116.67 118.92 2jza s ASP 112 Ca 0.09 -1.80 -0.07 0.00 -0.52 0.00 0.00 52.55 50.26 2jza s ASP 112 Cb 0.17 -2.38 -0.03 0.00 -1.46 0.00 0.00 42.92 39.22 2jza s ASP 112 CO 0.78 -1.11 0.05 -0.69 0.52 0.00 0.00 175.17 174.71 2jza s VAL 113 N 2.80 4.32 0.31 1.11 1.01 -1.26 -4.98 120.40 123.71 2jza s VAL 113 Ca 0.27 -0.18 -0.10 0.00 0.00 0.00 0.00 61.98 61.97 2jza s VAL 113 Cb -0.10 -2.98 -0.07 0.00 0.00 0.00 0.00 36.38 33.22 2jza s VAL 113 CO -0.03 0.39 0.65 0.00 0.00 0.00 0.00 175.10 176.11 2jza s ALA 114 N 1.14 3.46 0.24 5.51 0.00 -1.26 -5.04 121.76 125.80 2jza s ALA 114 Ca 0.04 -0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.47 2jza s ALA 114 Cb -0.14 -2.56 -0.10 0.00 0.00 0.00 0.00 23.12 20.32 2jza s ALA 114 CO 0.03 0.28 1.38 0.08 0.00 0.00 0.00 175.76 177.53 2jza s VAL 115 N -2.05 2.88 0.04 0.00 1.01 -1.26 -4.98 120.40 116.04 2jza s VAL 115 Ca 0.49 0.74 0.01 0.00 0.00 0.00 0.00 61.98 63.23 2jza s VAL 115 Cb -0.11 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 2jza s VAL 115 CO 0.24 0.12 -0.06 -0.62 0.00 0.00 0.00 175.10 174.79 2jza s ASP 116 N 0.28 0.62 -0.03 3.32 2.15 -1.26 -5.04 116.67 116.71 2jza s ASP 116 Ca 0.57 -0.60 0.16 0.00 0.43 0.00 0.00 52.55 53.12 2jza s ASP 116 Cb -0.40 0.08 0.28 0.00 -0.30 0.00 0.00 42.92 42.58 2jza s ASP 116 CO 0.42 -0.29 1.12 -0.46 -0.17 0.00 0.00 175.17 175.80 2jza n ASN 117 N 1.31 0.24 0.18 -0.34 6.94 -1.26 -4.97 115.26 117.36 2jza n ASN 117 Ca -0.22 -2.01 -0.14 0.00 -0.02 0.00 0.00 54.58 52.19 2jza n ASN 117 Cb 0.56 -0.06 -0.07 0.00 -2.36 0.00 0.00 39.78 37.84 2jza n ASN 117 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 2jza h SER 118 N 0.76 -0.49 -5.41 0.53 0.87 -2.01 -3.46 113.55 104.34 2jza h SER 118 Ca -0.35 0.04 -0.18 0.00 -1.23 0.00 0.00 61.79 60.07 2jza h SER 118 Cb 1.66 0.15 -0.15 0.00 -0.44 0.00 0.00 62.40 63.63 2jza h SER 118 CO -0.04 -0.30 -0.63 0.00 -0.53 0.00 0.00 176.83 175.32 2jza s GLN 119 N -6.11 0.92 0.26 2.24 -2.07 -1.26 -5.14 119.66 108.51 2jza s GLN 119 Ca -0.15 -1.41 -0.29 0.00 -1.82 0.00 0.00 55.36 51.68 2jza s GLN 119 Cb 0.06 0.25 -0.09 0.00 -1.09 0.00 0.00 33.01 32.13 2jza s GLN 119 CO 0.64 -0.26 1.25 -2.14 -1.32 0.00 0.00 175.29 173.46 2jza s PRO 120 N -4.04 4.45 0.59 9.60 0.02 -1.26 -5.02 135.00 139.34 2jza s PRO 120 Ca 0.23 2.03 -0.18 0.00 0.02 0.00 0.00 61.00 63.10 2jza s PRO 120 Cb 0.07 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.40 2jza s PRO 120 CO 0.01 -0.11 1.14 -0.51 -0.33 0.00 0.00 177.00 177.21 2jza s LEU 121 N -0.98 3.63 0.19 -5.54 1.43 -1.26 -4.93 118.68 111.22 2jza s LEU 121 Ca 0.51 2.19 -0.32 0.00 -1.03 0.00 0.00 54.13 55.48 2jza s LEU 121 Cb -0.36 -4.58 -0.16 0.00 0.03 0.00 0.00 46.19 41.13 2jza s LEU 121 CO 0.44 -1.44 1.09 -2.65 0.23 0.00 0.00 176.35 174.01 2jza n PRO 122 N -1.68 1.10 -2.30 1.29 -0.02 -1.26 -4.82 135.00 127.31 2jza n PRO 122 Ca 0.12 0.39 -0.39 0.00 -2.02 0.00 0.00 63.50 61.60 2jza n PRO 122 Cb 0.51 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 2jza n PRO 122 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2jza s LEU 123 N 0.75 3.25 -0.23 2.45 2.96 -1.26 -4.96 118.68 121.64 2jza s LEU 123 Ca 0.70 -0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 54.23 2jza s LEU 123 Cb -0.84 -2.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.26 2jza s LEU 123 CO 0.54 -2.10 0.13 -0.70 -1.32 0.00 0.00 176.35 172.89 2jza s GLU 124 N 6.29 4.00 -0.21 1.98 2.12 -1.26 -4.95 118.70 126.66 2jza s GLU 124 Ca 0.52 -0.31 0.16 0.00 0.36 0.00 0.00 54.97 55.70 2jza s GLU 124 Cb -0.09 -3.44 0.46 0.00 0.26 0.00 0.00 34.13 31.32 2jza s GLU 124 CO 0.13 0.07 1.17 -2.39 -0.54 0.00 0.00 175.26 173.70 2jza n HIS 125 N 4.21 1.25 -1.68 5.30 1.44 -1.26 -5.05 115.22 119.43 2jza n HIS 125 Ca -0.15 -1.74 -0.41 0.00 -2.01 0.00 0.00 57.72 53.41 2jza n HIS 125 Cb 0.52 -0.25 -0.03 0.00 0.12 0.00 0.00 29.99 30.35 2jza n HIS 125 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2jza s HIS 126 N -2.92 1.26 -0.28 -1.40 3.76 -1.26 -4.89 115.29 109.56 2jza s HIS 126 Ca 0.38 0.83 0.01 0.00 -0.15 0.00 0.00 55.06 56.14 2jza s HIS 126 Cb 0.37 -3.88 0.16 0.00 1.11 0.00 0.00 32.58 30.34 2jza s HIS 126 CO -0.05 -3.42 0.43 -1.58 -0.85 0.00 0.00 174.74 169.27 2jza s HIS 127 N 9.16 -1.07 0.04 1.40 2.46 -1.26 -5.15 115.29 120.86 2jza s HIS 127 Ca 0.95 0.54 0.01 0.00 0.47 0.00 0.00 55.06 57.03 2jza s HIS 127 Cb -0.26 -0.05 -0.04 0.00 -0.13 0.00 0.00 32.58 32.10 2jza s HIS 127 CO 0.32 -0.94 0.11 -1.01 -2.47 0.00 0.00 174.74 170.75 2jza s HIS 128 N 2.58 3.32 -0.26 3.88 3.76 -1.26 -4.96 115.29 122.35 2jza s HIS 128 Ca 0.11 0.19 0.18 0.00 -0.15 0.00 0.00 55.06 55.38 2jza s HIS 128 Cb -0.13 -1.71 -0.26 0.00 1.11 0.00 0.00 32.58 31.59 2jza s HIS 128 CO -0.27 0.56 0.50 0.72 -0.85 0.00 0.00 174.74 175.40 2jza n HIS 129 N 0.75 0.00 -1.21 1.40 8.25 -1.26 -5.34 115.22 117.82 2jza n HIS 129 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2jza n HIS 129 Cb 0.52 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.34 2jza n HIS 129 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59