#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ogz s ASN 2 N 0.00 3.61 0.28 3.17 2.47 -1.26 -4.59 114.94 118.61 1ogz s ASN 2 Ca 0.00 -0.96 0.11 0.00 0.42 0.00 0.00 52.86 52.43 1ogz s ASN 2 Cb 0.00 -1.38 -0.05 0.00 -1.45 0.00 0.00 41.25 38.37 1ogz s ASN 2 CO 0.00 -0.12 -0.17 0.42 -3.72 0.00 0.00 177.10 173.51 1ogz s THR 3 N 1.29 2.32 0.34 -5.21 -4.23 -1.26 -4.75 115.64 104.14 1ogz s THR 3 Ca -0.02 -2.35 0.08 0.00 -1.18 0.00 0.00 61.69 58.23 1ogz s THR 3 Cb -0.16 -2.32 0.32 0.00 1.34 0.00 0.00 72.50 71.67 1ogz s THR 3 CO -0.09 -0.39 1.85 -0.65 -0.54 0.00 0.00 174.62 174.80 1ogz h PRO 4 N 2.27 0.71 -0.66 3.99 0.11 -1.97 0.12 132.00 136.58 1ogz h PRO 4 Ca -0.40 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1ogz h PRO 4 Cb 1.25 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1ogz h PRO 4 CO 0.62 0.47 0.31 1.49 -0.21 0.00 0.00 178.00 180.68 1ogz h GLU 5 N 0.73 0.96 -0.36 1.05 4.81 -1.95 -0.15 114.58 119.68 1ogz h GLU 5 Ca 0.48 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 59.41 1ogz h GLU 5 Cb 0.75 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1ogz h GLU 5 CO -0.24 0.77 -0.37 1.25 -0.73 0.00 0.00 179.01 179.70 1ogz h HIS 6 N 0.92 1.00 -0.27 0.92 2.76 -1.26 -1.22 115.15 118.01 1ogz h HIS 6 Ca 0.23 -0.29 -0.16 0.00 -2.20 0.00 0.00 60.37 57.95 1ogz h HIS 6 Cb 0.14 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1ogz h HIS 6 CO 0.01 1.08 -0.48 0.52 -1.30 0.00 0.00 177.93 177.75 1ogz h MET 7 N 0.70 0.72 -0.52 5.26 2.86 -0.75 -0.40 114.93 122.80 1ogz h MET 7 Ca 0.06 -0.42 -0.10 0.00 -2.06 0.00 0.00 59.70 57.19 1ogz h MET 7 Cb 0.93 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 1ogz h MET 7 CO 0.09 1.04 -0.06 1.15 1.06 0.00 0.00 176.91 180.18 1ogz h THR 8 N 0.57 1.27 -0.75 2.22 2.02 -0.98 -1.70 112.91 115.56 1ogz h THR 8 Ca 0.03 -1.19 -0.05 0.00 0.77 0.00 0.00 66.41 65.96 1ogz h THR 8 Cb 1.04 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 1ogz h THR 8 CO 0.10 0.42 0.26 0.00 0.37 0.00 0.00 175.52 176.67 1ogz h ALA 9 N 0.92 1.04 -0.52 6.16 0.00 -0.99 -1.58 119.26 124.29 1ogz h ALA 9 Ca 0.14 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1ogz h ALA 9 Cb 0.61 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1ogz h ALA 9 CO 0.04 0.66 0.04 0.28 0.00 0.00 0.00 179.25 180.26 1ogz h VAL 10 N 1.10 1.24 -0.72 0.00 2.07 -0.80 -0.83 116.25 118.32 1ogz h VAL 10 Ca 0.25 -0.98 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 1ogz h VAL 10 Cb 0.27 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1ogz h VAL 10 CO -0.01 0.35 0.20 0.58 0.02 0.00 0.00 177.57 178.71 1ogz h VAL 11 N 0.80 1.26 -0.26 2.57 2.07 -0.80 -0.41 116.25 121.48 1ogz h VAL 11 Ca 0.16 -0.94 -0.14 0.00 0.82 0.00 0.00 66.70 66.60 1ogz h VAL 11 Cb 0.43 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1ogz h VAL 11 CO 0.02 0.36 -0.41 1.56 0.02 0.00 0.00 177.57 179.12 1ogz h GLN 12 N 1.08 0.63 -0.47 1.57 4.20 -0.79 -1.52 115.11 119.80 1ogz h GLN 12 Ca 0.23 -0.33 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 1ogz h GLN 12 Cb 0.34 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1ogz h GLN 12 CO -0.00 0.93 0.02 0.00 -0.67 0.00 0.00 178.83 179.10 1ogz h ARG 13 N 0.51 0.81 -0.03 1.46 3.08 -0.91 -1.18 114.38 118.12 1ogz h ARG 13 Ca 0.04 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 59.87 1ogz h ARG 13 Cb 0.93 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.87 1ogz h ARG 13 CO 0.08 0.85 -0.18 -0.92 -1.07 0.00 0.00 179.97 178.73 1ogz h TYR 14 N 0.66 -0.48 -0.85 3.04 3.20 -0.86 0.17 116.97 121.84 1ogz h TYR 14 Ca 0.13 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1ogz h TYR 14 Cb 0.48 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 1ogz h TYR 14 CO 0.04 -0.26 0.52 0.28 -1.64 0.00 0.00 178.16 177.09 1ogz h VAL 15 N -0.28 1.24 -0.05 1.81 2.07 -1.12 -1.98 116.25 117.93 1ogz h VAL 15 Ca 0.07 -0.52 -0.14 0.00 0.82 0.00 0.00 66.70 66.93 1ogz h VAL 15 Cb 0.37 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1ogz h VAL 15 CO -0.20 0.25 -0.60 0.00 0.02 0.00 0.00 177.57 177.05 1ogz h ALA 16 N 1.28 0.91 -0.42 1.67 0.00 -0.86 -2.86 119.26 118.98 1ogz h ALA 16 Ca 0.31 -0.54 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1ogz h ALA 16 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ogz h ALA 16 CO -0.06 0.73 -0.31 0.00 0.00 0.00 0.00 179.25 179.61 1ogz h ALA 17 N 1.26 0.60 -0.79 0.00 0.00 -0.16 -1.42 119.26 118.75 1ogz h ALA 17 Ca -0.01 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1ogz h ALA 17 Cb 1.08 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1ogz h ALA 17 CO 0.09 0.65 0.36 -0.07 0.00 0.00 0.00 179.25 180.28 1ogz h LEU 18 N 0.78 1.05 -0.92 0.00 -0.00 -1.35 0.19 115.31 115.06 1ogz h LEU 18 Ca 0.08 -0.15 -0.03 0.00 -0.00 0.00 0.00 57.88 57.78 1ogz h LEU 18 Cb 0.90 -0.27 -0.04 0.00 -0.00 0.00 0.00 40.66 41.25 1ogz h LEU 18 CO 0.08 0.91 0.37 0.78 -0.00 0.00 0.00 178.44 180.58 1ogz h ASN 19 N 1.13 1.04 0.27 -0.43 2.35 -1.33 -2.57 115.58 116.04 1ogz h ASN 19 Ca 0.27 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1ogz h ASN 19 Cb 0.15 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1ogz h ASN 19 CO -0.03 0.89 -0.18 0.00 -1.65 0.00 0.00 177.43 176.46 1ogz n ALA 20 N -2.43 2.91 -2.33 -0.83 0.00 -0.55 -4.79 120.51 112.48 1ogz n ALA 20 Ca 0.08 -0.35 -0.16 0.00 0.00 0.00 0.00 53.44 53.01 1ogz n ALA 20 Cb 0.15 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 1ogz n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ogz n GLY 21 N 1.30 -0.30 3.48 0.00 0.00 0.41 -4.91 105.19 105.18 1ogz n GLY 21 Ca 0.14 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1ogz n GLY 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ogz s ASP 22 N -2.29 6.62 0.18 1.61 2.15 0.29 -4.86 116.67 120.37 1ogz s ASP 22 Ca 0.01 -1.96 -0.08 0.00 0.43 0.00 0.00 52.55 50.96 1ogz s ASP 22 Cb -0.00 -2.44 0.07 0.00 -0.30 0.00 0.00 42.92 40.24 1ogz s ASP 22 CO 0.01 -1.15 1.57 0.25 -0.17 0.00 0.00 175.17 175.68 1ogz h LEU 23 N 10.97 0.94 -0.79 -1.34 5.85 -1.91 -2.53 115.31 126.50 1ogz h LEU 23 Ca 0.18 -0.36 -0.09 0.00 0.84 0.00 0.00 57.88 58.45 1ogz h LEU 23 Cb 1.01 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1ogz h LEU 23 CO 1.19 1.13 -0.06 0.44 -0.34 0.00 0.00 178.44 180.80 1ogz h ASP 24 N 0.78 0.83 -0.61 1.25 3.32 -1.98 -2.00 116.42 118.01 1ogz h ASP 24 Ca 0.10 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 1ogz h ASP 24 Cb 0.80 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 1ogz h ASP 24 CO 0.07 0.93 0.25 1.23 -1.72 0.00 0.00 179.24 180.00 1ogz h GLY 25 N 0.98 1.01 0.43 2.75 0.00 -1.92 -1.50 103.07 104.82 1ogz h GLY 25 Ca 0.14 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1ogz h GLY 25 CO 0.03 0.49 -0.08 -2.22 0.00 0.00 0.00 176.54 174.77 1ogz h ILE 26 N 0.92 0.93 -0.61 2.60 2.04 -1.20 -3.30 117.51 118.90 1ogz h ILE 26 Ca 0.22 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1ogz h ILE 26 Cb 0.18 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1ogz h ILE 26 CO -0.02 0.22 0.39 0.58 0.00 0.00 0.00 178.15 179.32 1ogz h VAL 27 N -0.79 1.16 0.00 1.67 2.07 -1.35 -1.15 116.25 117.87 1ogz h VAL 27 Ca -0.02 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1ogz h VAL 27 Cb 0.53 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1ogz h VAL 27 CO 0.04 0.16 0.01 0.00 0.02 0.00 0.00 177.57 177.80 1ogz h ALA 28 N 1.60 1.01 0.00 1.67 0.00 -1.35 -0.15 119.26 122.04 1ogz h ALA 28 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1ogz h ALA 28 Cb -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ogz h ALA 28 CO -0.05 -0.01 -0.36 -0.07 0.00 0.00 0.00 179.25 178.77 1ogz h LEU 29 N 0.00 0.00-10.09 0.00 4.07 -1.28 -3.47 115.31 104.55 1ogz h LEU 29 Ca 0.00 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.44 1ogz h LEU 29 Cb 0.02 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1ogz h LEU 29 CO 0.00 0.36 -0.09 -0.36 -1.08 0.00 0.00 178.44 177.27 1ogz s PHE 30 N -3.28 3.47 0.58 1.13 0.40 -0.07 -1.16 117.98 119.03 1ogz s PHE 30 Ca 0.03 0.76 -0.16 0.00 -0.60 0.00 0.00 56.93 56.96 1ogz s PHE 30 Cb 0.09 -2.20 -0.05 0.00 0.51 0.00 0.00 43.02 41.37 1ogz s PHE 30 CO 0.70 0.14 1.04 0.00 0.70 0.00 0.00 175.22 177.79 1ogz s ALA 31 N -2.09 2.82 0.54 5.36 0.00 0.07 -4.75 121.76 123.71 1ogz s ALA 31 Ca 0.46 0.34 0.22 0.00 0.00 0.00 0.00 51.96 52.98 1ogz s ALA 31 Cb -0.11 -3.20 1.43 0.00 0.00 0.00 0.00 23.12 21.23 1ogz s ALA 31 CO 0.28 -0.68 2.10 0.38 0.00 0.00 0.00 175.76 177.85 1ogz h ASP 32 N 0.54 0.00 -0.37 0.00 2.03 -1.95 -2.14 116.42 114.53 1ogz h ASP 32 Ca -0.47 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 55.64 1ogz h ASP 32 Cb 1.21 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.60 1ogz h ASP 32 CO 0.58 0.00 -0.06 -0.90 -1.03 0.00 0.00 179.24 177.83 1ogz n ASP 33 N -4.30 2.50 -4.69 4.15 5.75 -1.26 -2.60 116.55 116.10 1ogz n ASP 33 Ca 0.02 -3.78 -0.29 0.00 -0.01 0.00 0.00 54.79 50.73 1ogz n ASP 33 Cb 0.30 -0.64 0.17 0.00 -1.03 0.00 0.00 41.12 39.91 1ogz n ASP 33 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ogz s ALA 34 N -3.25 1.03 0.00 2.12 0.00 -0.81 -4.56 121.76 116.28 1ogz s ALA 34 Ca 0.45 -0.41 0.05 0.00 0.00 0.00 0.00 51.96 52.04 1ogz s ALA 34 Cb 0.41 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 20.42 1ogz s ALA 34 CO -0.00 -2.80 -0.14 0.95 0.00 0.00 0.00 175.76 173.77 1ogz s THR 35 N -3.02 1.12 -0.13 0.00 -4.23 -0.64 -1.92 115.64 106.82 1ogz s THR 35 Ca 0.65 -0.70 0.01 0.00 -1.18 0.00 0.00 61.69 60.47 1ogz s THR 35 Cb -0.18 -0.95 0.02 0.00 1.34 0.00 0.00 72.50 72.72 1ogz s THR 35 CO 0.57 0.24 -0.14 -0.69 -0.54 0.00 0.00 174.62 174.07 1ogz s VAL 36 N -0.45 1.47 -0.86 2.29 1.01 -0.32 -1.59 120.40 121.95 1ogz s VAL 36 Ca 0.05 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 1ogz s VAL 36 Cb -0.06 -1.38 0.21 0.00 0.00 0.00 0.00 36.38 35.15 1ogz s VAL 36 CO -0.00 0.44 0.74 -0.70 0.00 0.00 0.00 175.10 175.58 1ogz s GLU 37 N 1.32 3.23 0.29 2.72 2.12 -0.01 -1.38 118.70 126.99 1ogz s GLU 37 Ca 0.00 -3.10 0.01 0.00 0.36 0.00 0.00 54.97 52.24 1ogz s GLU 37 Cb -0.14 -3.98 0.69 0.00 0.26 0.00 0.00 34.13 30.96 1ogz s GLU 37 CO -0.07 -1.25 1.49 -3.47 -0.54 0.00 0.00 175.26 171.42 1ogz n ASP 38 N 2.65 -0.14 -3.72 -1.70 2.03 -1.26 -1.74 116.55 112.66 1ogz n ASP 38 Ca 0.19 1.62 -0.15 0.00 0.52 0.00 0.00 54.79 56.96 1ogz n ASP 38 Cb 0.38 -0.58 -0.15 0.00 -0.72 0.00 0.00 41.12 40.05 1ogz n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ogz s ALA 39 N -5.97 -0.21 0.78 -1.67 0.00 -1.26 -4.29 121.76 109.14 1ogz s ALA 39 Ca -0.13 0.62 -0.16 0.00 0.00 0.00 0.00 51.96 52.29 1ogz s ALA 39 Cb 0.28 -0.57 -0.08 0.00 0.00 0.00 0.00 23.12 22.75 1ogz s ALA 39 CO 0.74 -0.29 0.05 0.28 0.00 0.00 0.00 175.76 176.54 1ogz n VAL 40 N 4.59 0.73 0.00 0.00 0.31 -1.12 -2.36 118.33 120.48 1ogz n VAL 40 Ca -0.19 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 1ogz n VAL 40 Cb 0.51 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 1ogz n VAL 40 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ogz n GLY 41 N 2.26 2.30 3.61 2.92 0.00 -1.26 -5.01 105.19 110.01 1ogz n GLY 41 Ca 0.06 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 1ogz n GLY 41 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ogz s SER 42 N 0.00 2.15 -0.19 1.61 0.15 -1.00 -4.95 113.70 111.48 1ogz s SER 42 Ca 0.00 1.43 -0.29 0.00 0.70 0.00 0.00 55.95 57.79 1ogz s SER 42 Cb 0.00 -2.13 -0.01 0.00 -1.71 0.00 0.00 66.02 62.18 1ogz s SER 42 CO 0.00 -3.46 1.20 -1.61 1.20 0.00 0.00 173.24 170.57 1ogz s GLU 43 N -4.75 4.23 0.03 5.44 0.41 -1.26 -4.97 118.70 117.83 1ogz s GLU 43 Ca 0.66 1.55 -0.30 0.00 -0.41 0.00 0.00 54.97 56.47 1ogz s GLU 43 Cb -0.21 -3.73 -0.08 0.00 -1.78 0.00 0.00 34.13 28.33 1ogz s GLU 43 CO 0.60 -0.70 1.78 -1.25 -0.49 0.00 0.00 175.26 175.21 1ogz s PRO 44 N 3.44 4.17 0.41 0.39 0.04 -1.26 -4.91 135.00 137.27 1ogz s PRO 44 Ca 0.51 2.43 -0.25 0.00 0.04 0.00 0.00 61.00 63.73 1ogz s PRO 44 Cb -0.19 -3.90 -0.08 0.00 0.04 0.00 0.00 34.50 30.37 1ogz s PRO 44 CO 0.12 -0.86 1.23 1.03 0.04 0.00 0.00 177.00 178.57 1ogz s ARG 45 N 3.66 3.96 0.04 4.56 1.81 -0.48 -4.78 118.95 127.72 1ogz s ARG 45 Ca 0.80 1.99 0.05 0.00 -1.72 0.00 0.00 55.73 56.85 1ogz s ARG 45 Cb -0.40 -2.68 -0.02 0.00 -0.45 0.00 0.00 34.95 31.40 1ogz s ARG 45 CO 0.35 -0.45 -0.15 0.45 -0.68 0.00 0.00 175.30 174.83 1ogz s SER 46 N -0.97 1.73 0.00 0.23 0.15 -1.26 -1.18 113.70 112.41 1ogz s SER 46 Ca 0.58 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1ogz s SER 46 Cb -0.34 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 1ogz s SER 46 CO 0.43 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.52 1ogz n GLY 47 N 1.85 -0.26 0.21 9.45 0.00 -0.81 -4.16 105.19 111.47 1ogz n GLY 47 Ca -0.18 -1.53 -0.03 0.00 0.00 0.00 0.00 46.02 44.27 1ogz n GLY 47 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ogz h THR 48 N 0.00 0.47 -0.37 2.61 2.02 -1.79 -0.10 112.91 115.75 1ogz h THR 48 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1ogz h THR 48 Cb 0.00 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 66.84 1ogz h THR 48 CO 0.00 0.00 0.16 0.00 0.37 0.00 0.00 175.52 176.05 1ogz h ALA 49 N 1.42 0.45 -0.37 6.16 0.00 -1.91 0.11 119.26 125.12 1ogz h ALA 49 Ca 0.23 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1ogz h ALA 49 Cb 0.39 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ogz h ALA 49 CO -0.52 -0.23 0.10 0.00 0.00 0.00 0.00 179.25 178.61 1ogz h ALA 50 N 1.22 0.49 -0.23 0.00 0.00 -1.58 -1.06 119.26 118.10 1ogz h ALA 50 Ca 0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ogz h ALA 50 Cb 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ogz h ALA 50 CO -0.15 0.15 0.14 0.82 0.00 0.00 0.00 179.25 180.21 1ogz h ILE 51 N 0.45 1.09 -0.70 0.00 2.04 -0.73 -1.65 117.51 118.00 1ogz h ILE 51 Ca 0.12 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 1ogz h ILE 51 Cb 0.29 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1ogz h ILE 51 CO -0.00 0.08 0.24 -0.09 0.00 0.00 0.00 178.15 178.39 1ogz h ARG 52 N 0.29 1.06 -0.60 2.37 2.43 -0.69 -2.35 114.38 116.87 1ogz h ARG 52 Ca 0.08 -0.20 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 1ogz h ARG 52 Cb 0.02 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 1ogz h ARG 52 CO -0.02 0.88 0.21 1.49 -1.51 0.00 0.00 179.97 181.03 1ogz h GLU 53 N 1.02 0.92 0.20 0.20 4.81 -0.92 0.64 114.58 121.46 1ogz h GLU 53 Ca 0.23 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1ogz h GLU 53 Cb 0.25 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1ogz h GLU 53 CO -0.01 0.81 -0.14 0.35 -0.73 0.00 0.00 179.01 179.29 1ogz h PHE 54 N 0.85 -0.36 -0.14 0.92 3.57 -1.03 -1.64 116.94 119.11 1ogz h PHE 54 Ca 0.20 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 1ogz h PHE 54 Cb 0.25 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1ogz h PHE 54 CO 0.02 -0.21 -0.13 1.88 -2.23 0.00 0.00 178.31 177.63 1ogz h TYR 55 N -0.34 0.24 -0.54 0.41 0.05 -1.31 -1.62 116.97 113.86 1ogz h TYR 55 Ca -0.02 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 1ogz h TYR 55 Cb 0.29 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 1ogz h TYR 55 CO -0.10 0.36 0.29 0.00 -1.05 0.00 0.00 178.16 177.66 1ogz h ALA 56 N 1.66 0.70 0.00 3.88 0.00 -0.39 -1.78 119.26 123.33 1ogz h ALA 56 Ca 0.04 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1ogz h ALA 56 Cb 0.37 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ogz h ALA 56 CO 0.02 0.22 -0.54 -0.91 0.00 0.00 0.00 179.25 178.04 1ogz h ASN 57 N 0.73 0.00 1.12 0.00 -0.26 -0.90 -2.79 115.58 113.48 1ogz h ASN 57 Ca 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 1ogz h ASN 57 Cb 0.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 1ogz h ASN 57 CO -0.03 0.54 0.00 0.28 -1.06 0.00 0.00 177.43 177.16 1ogz h SER 58 N 0.00 0.00 -0.61 5.81 0.02 -0.83 -2.94 113.55 115.01 1ogz h SER 58 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ogz h SER 58 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1ogz h SER 58 CO 0.07 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.94 1ogz n LEU 59 N -2.69 3.75 -0.32 5.07 4.77 -0.71 -4.39 117.00 122.47 1ogz n LEU 59 Ca 0.02 -1.84 0.03 0.00 -0.03 0.00 0.00 56.01 54.19 1ogz n LEU 59 Cb 0.33 -0.40 0.18 0.00 -2.33 0.00 0.00 43.42 41.20 1ogz n LEU 59 CO 0.26 0.90 1.19 0.11 -1.33 0.00 0.00 177.39 178.52 1ogz h LYS 60 N 4.21 0.91 -5.96 3.23 6.56 -1.50 -3.40 116.57 120.61 1ogz h LYS 60 Ca 0.00 -0.05 -0.62 0.00 -1.06 0.00 0.00 60.65 58.92 1ogz h LYS 60 Cb 0.97 -0.21 -0.05 0.00 -0.57 0.00 0.00 32.23 32.38 1ogz h LYS 60 CO 0.00 0.60 -0.51 -0.51 -2.06 0.00 0.00 179.45 176.97 1ogz s LEU 61 N -10.23 4.27 0.03 2.94 1.43 -1.26 -5.05 118.68 110.80 1ogz s LEU 61 Ca -0.12 0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.89 1ogz s LEU 61 Cb 0.20 -2.88 -0.07 0.00 0.03 0.00 0.00 46.19 43.47 1ogz s LEU 61 CO 0.79 0.16 1.55 -2.84 0.23 0.00 0.00 176.35 176.24 1ogz s PRO 62 N -2.57 4.23 -0.06 1.29 0.02 -1.26 -5.00 135.00 131.65 1ogz s PRO 62 Ca 0.34 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.53 1ogz s PRO 62 Cb -0.13 -3.63 -0.03 0.00 0.02 0.00 0.00 34.50 30.73 1ogz s PRO 62 CO 0.27 -0.69 -0.04 -0.51 -0.33 0.00 0.00 177.00 175.71 1ogz s LEU 63 N 2.72 3.33 -0.28 -5.54 1.43 -1.26 -4.57 118.68 114.51 1ogz s LEU 63 Ca 0.70 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 1ogz s LEU 63 Cb -0.36 -1.77 0.05 0.00 0.03 0.00 0.00 46.19 44.15 1ogz s LEU 63 CO 0.29 0.36 -0.06 0.00 0.23 0.00 0.00 176.35 177.17 1ogz s ALA 64 N -0.87 2.69 0.01 4.21 0.00 -0.29 -4.36 121.76 123.14 1ogz s ALA 64 Ca 0.14 -1.76 0.06 0.00 0.00 0.00 0.00 51.96 50.39 1ogz s ALA 64 Cb -0.11 -1.76 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 1ogz s ALA 64 CO 0.03 -1.23 -0.18 0.54 0.00 0.00 0.00 175.76 174.92 1ogz s VAL 65 N 1.17 1.43 0.03 0.00 0.11 -1.26 -0.01 120.40 121.88 1ogz s VAL 65 Ca -0.07 -0.91 -0.13 0.00 -2.93 0.00 0.00 61.98 57.94 1ogz s VAL 65 Cb -0.20 -1.22 0.02 0.00 -1.53 0.00 0.00 36.38 33.45 1ogz s VAL 65 CO -0.03 0.28 0.28 -1.83 -3.33 0.00 0.00 175.10 170.47 1ogz s GLU 66 N -0.74 0.76 0.28 1.54 -1.05 -0.83 -4.87 118.70 113.79 1ogz s GLU 66 Ca 0.06 -0.48 -0.29 0.00 -0.15 0.00 0.00 54.97 54.11 1ogz s GLU 66 Cb -0.07 0.33 -0.09 0.00 -0.44 0.00 0.00 34.13 33.85 1ogz s GLU 66 CO 0.00 -0.23 1.03 -0.51 0.95 0.00 0.00 175.26 176.50 1ogz s LEU 67 N -1.94 4.53 0.00 1.83 1.43 -1.26 -1.48 118.68 121.78 1ogz s LEU 67 Ca -0.06 2.12 0.11 0.00 -1.03 0.00 0.00 54.13 55.26 1ogz s LEU 67 Cb -0.02 -3.70 0.01 0.00 0.03 0.00 0.00 46.19 42.51 1ogz s LEU 67 CO -0.02 -0.08 0.70 0.35 0.23 0.00 0.00 176.35 177.53 1ogz n THR 68 N 1.12 0.00 -3.94 5.49 -2.24 -0.84 -4.92 114.28 108.95 1ogz n THR 68 Ca -0.01 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.28 1ogz n THR 68 Cb 0.46 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.81 1ogz n THR 68 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1ogz s GLN 69 N -1.42 1.82 0.59 -0.78 -0.21 -1.25 -5.02 119.66 113.39 1ogz s GLN 69 Ca 0.10 -1.32 -0.18 0.00 0.02 0.00 0.00 55.36 53.97 1ogz s GLN 69 Cb 0.09 0.53 -0.04 0.00 1.00 0.00 0.00 33.01 34.60 1ogz s GLN 69 CO 0.27 -0.80 1.18 -1.83 -2.12 0.00 0.00 175.29 171.98 1ogz s GLU 70 N -3.44 3.03 0.38 2.91 -1.05 -1.26 -4.75 118.70 114.52 1ogz s GLU 70 Ca 0.20 1.72 -0.24 0.00 -0.15 0.00 0.00 54.97 56.50 1ogz s GLU 70 Cb -0.03 -1.95 -0.10 0.00 -0.44 0.00 0.00 34.13 31.61 1ogz s GLU 70 CO 0.11 -1.13 0.96 0.08 0.95 0.00 0.00 175.26 176.23 1ogz s VAL 71 N -1.73 4.24 -0.39 1.83 1.01 -1.26 -4.71 120.40 119.39 1ogz s VAL 71 Ca 0.75 1.63 -0.08 0.00 0.00 0.00 0.00 61.98 64.28 1ogz s VAL 71 Cb -0.28 -3.80 0.07 0.00 0.00 0.00 0.00 36.38 32.38 1ogz s VAL 71 CO 0.32 -0.07 0.21 -0.13 0.00 0.00 0.00 175.10 175.43 1ogz s ARG 72 N -2.59 2.55 -0.12 2.72 3.00 -0.32 -4.99 118.95 119.20 1ogz s ARG 72 Ca 0.56 -1.41 0.03 0.00 0.00 0.00 0.00 55.73 54.91 1ogz s ARG 72 Cb -0.15 -3.67 0.01 0.00 0.00 0.00 0.00 34.95 31.15 1ogz s ARG 72 CO 0.19 -0.88 -0.21 0.00 0.00 0.00 0.00 175.30 174.41 1ogz s ALA 73 N 1.39 2.11 -0.23 2.13 0.00 -1.26 -0.87 121.76 125.03 1ogz s ALA 73 Ca 0.02 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 50.83 1ogz s ALA 73 Cb -0.22 -0.91 0.06 0.00 0.00 0.00 0.00 23.12 22.05 1ogz s ALA 73 CO 0.02 0.04 0.59 0.54 0.00 0.00 0.00 175.76 176.94 1ogz s VAL 74 N 0.73 -0.01 -0.11 0.00 0.11 0.23 -4.78 120.40 116.58 1ogz s VAL 74 Ca -0.10 0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 58.87 1ogz s VAL 74 Cb -0.16 -0.84 0.01 0.00 -1.53 0.00 0.00 36.38 33.87 1ogz s VAL 74 CO 0.01 0.01 0.16 0.00 -3.33 0.00 0.00 175.10 171.95 1ogz n ALA 75 N 3.52 -1.61 -1.28 1.54 0.00 -1.26 -1.25 120.51 120.16 1ogz n ALA 75 Ca -0.17 0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 1ogz n ALA 75 Cb 0.57 -0.69 -0.05 0.00 0.00 0.00 0.00 19.45 19.28 1ogz n ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ogz n ASN 76 N 0.93 -4.68 -3.95 0.00 4.13 -1.26 -4.94 115.26 105.49 1ogz n ASN 76 Ca -0.02 0.29 -0.10 0.00 1.68 0.00 0.00 54.58 56.43 1ogz n ASN 76 Cb 0.32 -3.75 -0.10 0.00 -1.54 0.00 0.00 39.78 34.71 1ogz n ASN 76 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1ogz s GLU 77 N -2.88 0.40 -0.06 3.52 2.02 -0.38 -1.37 118.70 119.94 1ogz s GLU 77 Ca 0.00 -0.59 -0.08 0.00 0.02 0.00 0.00 54.97 54.32 1ogz s GLU 77 Cb 0.00 0.15 0.02 0.00 0.10 0.00 0.00 34.13 34.40 1ogz s GLU 77 CO 0.00 -0.08 0.22 0.00 0.02 0.00 0.00 175.26 175.42 1ogz s ALA 78 N -1.64 -0.53 0.01 5.21 0.00 -0.72 -0.60 121.76 123.48 1ogz s ALA 78 Ca -0.14 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.27 1ogz s ALA 78 Cb -0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1ogz s ALA 78 CO -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 175.76 175.57 1ogz s ALA 79 N -0.37 0.27 -0.01 0.00 0.00 -0.05 -0.14 121.76 121.46 1ogz s ALA 79 Ca -0.05 -0.29 -0.13 0.00 0.00 0.00 0.00 51.96 51.49 1ogz s ALA 79 Cb -0.03 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1ogz s ALA 79 CO 0.01 0.02 0.28 -0.59 0.00 0.00 0.00 175.76 175.47 1ogz s PHE 80 N -0.46 -0.14 -0.13 0.00 -0.71 -0.83 -1.17 117.98 114.54 1ogz s PHE 80 Ca -0.03 0.20 -0.06 0.00 -1.04 0.00 0.00 56.93 56.01 1ogz s PHE 80 Cb -0.04 0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.80 1ogz s PHE 80 CO -0.00 -0.36 0.08 0.00 -1.34 0.00 0.00 175.22 173.60 1ogz s ALA 81 N -1.29 3.60 0.31 1.99 0.00 -1.26 -1.56 121.76 123.55 1ogz s ALA 81 Ca -0.13 -0.71 -0.18 0.00 0.00 0.00 0.00 51.96 50.93 1ogz s ALA 81 Cb -0.06 -1.82 0.06 0.00 0.00 0.00 0.00 23.12 21.30 1ogz s ALA 81 CO 0.04 0.50 0.88 -0.59 0.00 0.00 0.00 175.76 176.58 1ogz s PHE 82 N -0.64 0.09 0.05 0.00 -0.71 -1.10 -1.98 117.98 113.69 1ogz s PHE 82 Ca 0.12 -0.66 0.04 0.00 -1.04 0.00 0.00 56.93 55.39 1ogz s PHE 82 Cb -0.12 0.79 -0.02 0.00 -1.21 0.00 0.00 43.02 42.46 1ogz s PHE 82 CO 0.02 -1.33 -0.13 0.96 -1.34 0.00 0.00 175.22 173.40 1ogz s ILE 83 N -2.32 1.01 -0.25 -4.49 -4.36 -0.55 -2.80 121.20 107.44 1ogz s ILE 83 Ca 0.17 -1.09 0.01 0.00 -0.26 0.00 0.00 60.65 59.48 1ogz s ILE 83 Cb -0.04 -0.95 0.06 0.00 1.25 0.00 0.00 42.46 42.78 1ogz s ILE 83 CO 0.09 -0.12 -0.04 -0.69 0.24 0.00 0.00 174.94 174.42 1ogz s VAL 84 N -1.04 1.56 -0.02 8.37 1.01 -0.25 -1.97 120.40 128.05 1ogz s VAL 84 Ca -0.01 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 60.66 1ogz s VAL 84 Cb -0.09 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1ogz s VAL 84 CO 0.01 -0.16 -0.02 -0.44 0.00 0.00 0.00 175.10 174.49 1ogz s SER 85 N 1.37 4.99 0.20 3.32 0.01 0.99 -1.56 113.70 123.02 1ogz s SER 85 Ca -0.04 -0.01 -0.16 0.00 1.31 0.00 0.00 55.95 57.06 1ogz s SER 85 Cb -0.19 -1.30 0.02 0.00 0.21 0.00 0.00 66.02 64.76 1ogz s SER 85 CO -0.07 0.31 0.48 0.72 0.41 0.00 0.00 173.24 175.09 1ogz s PHE 86 N -1.00 0.02 0.01 2.43 -0.71 -0.65 -1.14 117.98 116.95 1ogz s PHE 86 Ca 0.17 -0.38 0.04 0.00 -1.04 0.00 0.00 56.93 55.73 1ogz s PHE 86 Cb -0.11 0.30 -0.01 0.00 -1.21 0.00 0.00 43.02 41.98 1ogz s PHE 86 CO 0.07 -0.90 -0.14 -2.00 -1.34 0.00 0.00 175.22 170.92 1ogz s GLU 87 N -3.91 1.03 -0.13 1.99 2.12 -1.26 -0.69 118.70 117.85 1ogz s GLU 87 Ca 0.12 -0.57 -0.08 0.00 0.36 0.00 0.00 54.97 54.80 1ogz s GLU 87 Cb -0.00 -1.01 0.05 0.00 0.26 0.00 0.00 34.13 33.42 1ogz s GLU 87 CO -0.01 0.27 0.32 -0.47 -0.54 0.00 0.00 175.26 174.83 1ogz s TYR 88 N -0.48 -0.42 -1.67 5.30 5.04 0.70 -4.91 117.35 120.90 1ogz s TYR 88 Ca 0.04 0.97 -0.16 0.00 -2.44 0.00 0.00 57.07 55.48 1ogz s TYR 88 Cb -0.06 0.14 0.14 0.00 0.35 0.00 0.00 41.96 42.53 1ogz s TYR 88 CO 0.00 -0.25 0.74 1.04 -1.34 0.00 0.00 175.55 175.74 1ogz n GLN 89 N 3.88 -3.18 -0.99 4.97 1.13 -1.26 0.45 117.38 122.38 1ogz n GLN 89 Ca -0.21 0.37 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 1ogz n GLN 89 Cb 0.55 -5.02 0.00 0.00 0.11 0.00 0.00 30.24 25.88 1ogz n GLN 89 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ogz n GLY 90 N -1.48 0.59 3.40 1.08 0.00 -1.26 -5.01 105.19 102.50 1ogz n GLY 90 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1ogz n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ogz s ARG 91 N -0.14 3.51 -0.23 1.61 3.52 0.17 -5.10 118.95 122.29 1ogz s ARG 91 Ca 0.00 -0.59 -0.13 0.00 -0.13 0.00 0.00 55.73 54.88 1ogz s ARG 91 Cb 0.00 -2.91 -0.05 0.00 -1.56 0.00 0.00 34.95 30.44 1ogz s ARG 91 CO 0.00 0.06 0.26 0.15 -0.81 0.00 0.00 175.30 174.97 1ogz s LYS 92 N 0.81 4.10 0.04 5.12 1.02 -1.26 -0.22 119.74 129.35 1ogz s LYS 92 Ca -0.02 -0.08 0.08 0.00 0.02 0.00 0.00 55.97 55.98 1ogz s LYS 92 Cb -0.15 -3.55 -0.03 0.00 -0.52 0.00 0.00 37.83 33.58 1ogz s LYS 92 CO 0.02 -0.01 -0.23 0.99 -0.92 0.00 0.00 175.35 175.20 1ogz s THR 93 N 1.25 2.39 -0.20 2.17 2.01 0.13 -3.88 115.64 119.51 1ogz s THR 93 Ca 0.12 -1.30 -0.02 0.00 0.31 0.00 0.00 61.69 60.81 1ogz s THR 93 Cb -0.14 -1.96 0.06 0.00 0.01 0.00 0.00 72.50 70.47 1ogz s THR 93 CO 0.06 0.37 0.00 -0.69 -0.69 0.00 0.00 174.62 173.67 1ogz s VAL 94 N -0.84 0.86 -0.23 3.82 1.01 -0.13 -1.63 120.40 123.26 1ogz s VAL 94 Ca 0.13 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 1ogz s VAL 94 Cb -0.10 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1ogz s VAL 94 CO 0.03 -0.14 0.31 -0.69 0.00 0.00 0.00 175.10 174.60 1ogz s VAL 95 N 1.71 5.25 -0.69 2.92 1.01 -0.60 -1.26 120.40 128.75 1ogz s VAL 95 Ca -0.02 0.49 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 1ogz s VAL 95 Cb -0.17 -3.64 0.18 0.00 0.00 0.00 0.00 36.38 32.74 1ogz s VAL 95 CO -0.07 0.27 0.52 0.00 0.00 0.00 0.00 175.10 175.82 1ogz s ALA 96 N 1.38 3.73 0.16 5.51 0.00 -0.27 -1.09 121.76 131.17 1ogz s ALA 96 Ca 0.14 -3.36 0.02 0.00 0.00 0.00 0.00 51.96 48.76 1ogz s ALA 96 Cb -0.15 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.21 1ogz s ALA 96 CO 0.07 -2.14 0.16 -0.35 0.00 0.00 0.00 175.76 173.51 1ogz n PRO 97 N 3.37 1.09 -3.99 0.00 -0.04 -1.12 -4.84 135.00 129.46 1ogz n PRO 97 Ca 0.10 -0.92 -0.21 0.00 -0.04 0.00 0.00 63.50 62.43 1ogz n PRO 97 Cb 0.39 0.03 -0.17 0.00 -0.04 0.00 0.00 33.50 33.70 1ogz n PRO 97 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ogz s ILE 98 N -0.41 0.46 0.25 0.52 1.01 -0.55 -2.70 121.20 119.78 1ogz s ILE 98 Ca 0.12 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.82 1ogz s ILE 98 Cb -0.01 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 1ogz s ILE 98 CO 0.08 0.23 0.22 -1.81 0.00 0.00 0.00 174.94 173.67 1ogz s ASP 99 N 1.32 5.63 -0.04 3.58 1.11 -0.60 -0.56 116.67 127.11 1ogz s ASP 99 Ca -0.05 -0.21 -0.00 0.00 0.18 0.00 0.00 52.55 52.47 1ogz s ASP 99 Cb -0.13 -1.46 0.03 0.00 1.07 0.00 0.00 42.92 42.42 1ogz s ASP 99 CO -0.02 -0.05 0.01 -2.28 1.18 0.00 0.00 175.17 174.01 1ogz s HIS 100 N -2.12 0.37 -0.08 4.23 5.65 -0.37 -1.96 115.29 121.02 1ogz s HIS 100 Ca 0.33 -0.00 0.02 0.00 0.25 0.00 0.00 55.06 55.66 1ogz s HIS 100 Cb -0.08 -0.51 -0.02 0.00 -1.18 0.00 0.00 32.58 30.78 1ogz s HIS 100 CO 0.26 -0.18 -0.12 -0.06 -0.65 0.00 0.00 174.74 173.98 1ogz s PHE 101 N 1.40 2.79 -0.15 3.88 0.40 0.80 -1.50 117.98 125.61 1ogz s PHE 101 Ca -0.04 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 1ogz s PHE 101 Cb -0.13 -1.71 -0.00 0.00 0.51 0.00 0.00 43.02 41.69 1ogz s PHE 101 CO -0.03 0.12 -0.17 0.50 0.70 0.00 0.00 175.22 176.34 1ogz s ARG 102 N -0.44 3.18 0.33 0.44 3.52 0.11 -1.76 118.95 124.33 1ogz s ARG 102 Ca 0.06 -0.77 0.07 0.00 -0.13 0.00 0.00 55.73 54.96 1ogz s ARG 102 Cb -0.12 -2.57 -0.02 0.00 -1.56 0.00 0.00 34.95 30.67 1ogz s ARG 102 CO 0.02 0.03 0.33 -0.06 -0.81 0.00 0.00 175.30 174.81 1ogz s PHE 103 N 0.76 2.97 0.17 5.12 0.40 -0.47 -0.11 117.98 126.82 1ogz s PHE 103 Ca -0.07 -0.27 0.02 0.00 -0.60 0.00 0.00 56.93 56.01 1ogz s PHE 103 Cb -0.16 -1.82 0.02 0.00 0.51 0.00 0.00 43.02 41.58 1ogz s PHE 103 CO 0.01 0.16 0.14 0.27 0.70 0.00 0.00 175.22 176.50 1ogz n ASN 104 N -1.42 1.38 0.26 1.36 2.04 -0.60 -4.80 115.26 113.47 1ogz n ASN 104 Ca -0.02 -1.55 0.15 0.00 -0.44 0.00 0.00 54.58 52.71 1ogz n ASN 104 Cb 0.59 -0.03 0.63 0.00 -2.53 0.00 0.00 39.78 38.45 1ogz n ASN 104 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 1ogz h GLY 105 N 0.17 0.00 2.00 4.83 0.00 -1.97 -2.65 103.07 105.45 1ogz h GLY 105 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1ogz h GLY 105 CO 0.16 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.70 1ogz n ALA 106 N -2.15 2.17 -0.51 3.60 0.00 -1.26 -4.04 120.51 118.32 1ogz n ALA 106 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ogz n ALA 106 Cb 0.33 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1ogz n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ogz n GLY 107 N 1.12 0.73 3.91 0.00 0.00 -1.00 -4.94 105.19 105.02 1ogz n GLY 107 Ca 0.06 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1ogz n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ogz s LYS 108 N -0.59 3.57 -0.28 1.61 -0.14 -1.26 -4.87 119.74 117.79 1ogz s LYS 108 Ca 0.00 -0.20 -0.25 0.00 -1.36 0.00 0.00 55.97 54.16 1ogz s LYS 108 Cb 0.00 -2.82 0.00 0.00 -1.68 0.00 0.00 37.83 33.33 1ogz s LYS 108 CO 0.00 0.40 0.85 0.08 -0.76 0.00 0.00 175.35 175.92 1ogz s VAL 109 N -1.82 4.77 -0.10 3.17 1.01 -0.31 -1.56 120.40 125.55 1ogz s VAL 109 Ca 0.40 1.46 0.21 0.00 0.00 0.00 0.00 61.98 64.05 1ogz s VAL 109 Cb -0.11 -4.17 -0.23 0.00 0.00 0.00 0.00 36.38 31.86 1ogz s VAL 109 CO 0.28 -0.20 0.60 1.33 0.00 0.00 0.00 175.10 177.11 1ogz n VAL 110 N 5.44 0.39 -3.70 2.92 0.24 0.85 -0.75 118.33 123.72 1ogz n VAL 110 Ca 0.06 -0.57 -0.11 0.00 -2.04 0.00 0.00 64.34 61.68 1ogz n VAL 110 Cb 0.48 -0.19 -0.12 0.00 -1.47 0.00 0.00 33.84 32.54 1ogz n VAL 110 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1ogz s SER 111 N -4.93 -0.23 -0.05 -1.34 0.15 -0.95 -1.62 113.70 104.73 1ogz s SER 111 Ca -0.06 0.73 0.04 0.00 0.70 0.00 0.00 55.95 57.35 1ogz s SER 111 Cb 0.12 0.71 -0.00 0.00 -1.71 0.00 0.00 66.02 65.14 1ogz s SER 111 CO 0.86 -0.20 -0.16 0.00 1.20 0.00 0.00 173.24 174.95 1ogz s MET 112 N 1.71 1.71 -0.04 5.44 0.00 -0.62 0.07 119.30 127.56 1ogz s MET 112 Ca -0.06 -0.55 0.01 0.00 0.00 0.00 0.00 55.69 55.08 1ogz s MET 112 Cb -0.10 -1.47 0.02 0.00 0.00 0.00 0.00 34.83 33.28 1ogz s MET 112 CO -0.11 0.20 -0.04 1.03 0.00 0.00 0.00 175.02 176.10 1ogz s ARG 113 N 0.14 0.81 -0.21 3.16 0.52 -0.56 -0.83 118.95 121.99 1ogz s ARG 113 Ca -0.06 -0.10 -0.07 0.00 -0.52 0.00 0.00 55.73 54.99 1ogz s ARG 113 Cb -0.12 -0.83 -0.03 0.00 0.52 0.00 0.00 34.95 34.48 1ogz s ARG 113 CO 0.02 -0.09 0.06 0.00 0.02 0.00 0.00 175.30 175.31 1ogz s ALA 114 N 0.94 3.26 -0.21 2.13 0.00 -0.71 -1.23 121.76 125.94 1ogz s ALA 114 Ca -0.11 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 1ogz s ALA 114 Cb -0.14 -1.95 -0.00 0.00 0.00 0.00 0.00 23.12 21.02 1ogz s ALA 114 CO -0.00 -0.09 -0.08 -1.17 0.00 0.00 0.00 175.76 174.42 1ogz s LEU 115 N 0.89 2.75 -0.08 0.00 0.20 0.28 -2.80 118.68 119.92 1ogz s LEU 115 Ca 0.03 -0.43 -0.30 0.00 0.69 0.00 0.00 54.13 54.12 1ogz s LEU 115 Cb -0.14 -1.69 0.11 0.00 -0.43 0.00 0.00 46.19 44.05 1ogz s LEU 115 CO 0.02 -0.01 0.95 0.72 -0.29 0.00 0.00 176.35 177.75 1ogz s PHE 116 N 1.38 -0.34 0.36 5.38 -0.71 -1.26 -1.47 117.98 121.31 1ogz s PHE 116 Ca 0.05 0.36 0.05 0.00 -1.04 0.00 0.00 56.93 56.35 1ogz s PHE 116 Cb -0.14 0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 42.14 1ogz s PHE 116 CO -0.05 -0.44 0.20 0.20 -1.34 0.00 0.00 175.22 173.80 1ogz s GLY 117 N -1.95 2.40 0.34 1.99 0.00 -1.26 -4.85 107.32 104.00 1ogz s GLY 117 Ca 0.03 -1.68 0.12 0.00 0.00 0.00 0.00 44.72 43.19 1ogz s GLY 117 CO -0.05 -1.63 1.73 0.83 0.00 0.00 0.00 173.10 173.99 1ogz h GLU 118 N 2.01 0.50 0.00 2.90 5.08 -2.03 0.47 114.58 123.51 1ogz h GLU 118 Ca -0.30 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1ogz h GLU 118 Cb 1.25 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1ogz h GLU 118 CO 0.46 0.33 0.00 0.87 -1.00 0.00 0.00 179.01 179.67 1ogz h LYS 119 N 0.52 0.00 -0.54 2.33 1.79 -2.02 -1.71 116.57 116.94 1ogz h LYS 119 Ca 0.64 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.11 1ogz h LYS 119 Cb 1.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 1ogz h LYS 119 CO -0.44 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 178.02 1ogz n ASN 120 N -2.61 3.09 -4.18 0.86 5.03 0.16 -4.75 115.26 112.86 1ogz n ASN 120 Ca -0.00 -1.98 -0.38 0.00 0.87 0.00 0.00 54.58 53.09 1ogz n ASN 120 Cb 0.16 -0.36 -0.11 0.00 -1.02 0.00 0.00 39.78 38.45 1ogz n ASN 120 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ogz s ILE 121 N -1.28 3.61 -0.45 2.41 1.01 -0.64 -1.11 121.20 124.75 1ogz s ILE 121 Ca 0.39 -1.73 -0.15 0.00 0.00 0.00 0.00 60.65 59.15 1ogz s ILE 121 Cb 0.20 -3.32 0.05 0.00 0.01 0.00 0.00 42.46 39.41 1ogz s ILE 121 CO 0.27 -0.56 0.36 -1.00 0.00 0.00 0.00 174.94 174.02 1ogz s HIS 122 N 1.26 3.24 0.03 3.97 3.76 -0.39 -4.97 115.29 122.20 1ogz s HIS 122 Ca 0.04 -0.81 0.01 0.00 -0.15 0.00 0.00 55.06 54.15 1ogz s HIS 122 Cb -0.23 -2.96 -0.02 0.00 1.11 0.00 0.00 32.58 30.48 1ogz s HIS 122 CO -0.02 -0.72 -0.04 0.00 -0.85 0.00 0.00 174.74 173.11 1ogz s ALA 123 N 1.65 0.25 1.00 -1.40 0.00 -1.26 -0.96 121.76 121.04 1ogz s ALA 123 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1ogz s ALA 123 Cb -0.22 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1ogz s ALA 123 CO 0.08 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1ogz n GLY 124 N 1.51 -0.93 0.00 0.00 0.00 -1.25 -5.08 105.19 99.45 1ogz n GLY 124 Ca -0.23 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1ogz n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32