#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ulm n PRO 2 N 0.00 0.81 0.00 0.00 -0.02 -1.26 -4.91 135.00 129.62 1ulm n PRO 2 Ca 0.00 0.29 0.04 0.00 -2.02 0.00 0.00 63.50 61.81 1ulm n PRO 2 Cb 0.00 -1.56 0.01 0.00 -0.02 0.00 0.00 33.50 31.93 1ulm n PRO 2 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1ulm n GLU 3 N 1.04 1.44 -3.80 -0.52 0.28 0.37 -4.82 120.64 114.64 1ulm n GLU 3 Ca 0.14 -0.71 -0.09 0.00 -0.16 0.00 0.00 57.16 56.35 1ulm n GLU 3 Cb 0.27 -1.07 -0.03 0.00 1.43 0.00 0.00 31.44 32.04 1ulm n GLU 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ulm n GLY 5 N -0.41 -1.81 0.35 0.00 0.00 -0.63 -4.09 105.19 98.59 1ulm n GLY 5 Ca -0.07 -1.67 0.09 0.00 0.00 0.00 0.00 46.02 44.37 1ulm n GLY 5 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1ulm h GLU 6 N 0.00 0.56 -0.00 1.61 4.11 -1.93 0.27 114.58 119.19 1ulm h GLU 6 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1ulm h GLU 6 Cb 0.00 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1ulm h GLU 6 CO 0.00 0.37 -0.01 0.54 0.07 0.00 0.00 179.01 179.98 1ulm n ARG 7 N -4.48 1.14 -0.22 1.06 1.74 -1.26 -2.85 116.66 111.79 1ulm n ARG 7 Ca 0.09 -0.27 0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1ulm n ARG 7 Cb 0.27 -1.49 0.17 0.00 -1.02 0.00 0.00 32.46 30.38 1ulm n ARG 7 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ulm n ALA 8 N -0.70 2.63 -3.36 7.54 0.00 0.02 -4.91 120.51 121.73 1ulm n ALA 8 Ca 0.22 -2.73 -0.22 0.00 0.00 0.00 0.00 53.44 50.71 1ulm n ALA 8 Cb 0.19 -0.42 0.06 0.00 0.00 0.00 0.00 19.45 19.29 1ulm n ALA 8 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ulm n SER 9 N -1.29 -6.02 0.00 0.00 7.64 -0.99 -2.19 113.62 110.77 1ulm n SER 9 Ca 0.18 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.62 1ulm n SER 9 Cb 0.68 -4.69 0.00 0.00 -1.01 0.00 0.00 64.21 59.19 1ulm n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ulm n GLY 10 N -1.79 0.43 3.76 0.23 0.00 0.73 -4.99 105.19 103.56 1ulm n GLY 10 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1ulm n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ulm n LYS 11 N -2.09 2.56 -3.99 1.61 4.81 -0.93 -4.66 118.16 115.47 1ulm n LYS 11 Ca 0.00 0.90 -0.24 0.00 -0.87 0.00 0.00 58.31 58.09 1ulm n LYS 11 Cb 0.10 -2.60 -0.03 0.00 0.02 0.00 0.00 35.03 32.52 1ulm n LYS 11 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1ulm s ARG 12 N -2.06 3.30 0.41 1.64 1.81 -1.26 -1.61 118.95 121.19 1ulm s ARG 12 Ca 0.54 -0.73 -0.22 0.00 -1.72 0.00 0.00 55.73 53.60 1ulm s ARG 12 Cb -0.50 -2.85 -0.11 0.00 -0.45 0.00 0.00 34.95 31.04 1ulm s ARG 12 CO 0.64 0.48 0.95 0.00 -0.68 0.00 0.00 175.30 176.68 1ulm s PRO 14 N -3.03 2.51 -1.29 0.00 0.04 -1.26 -3.71 135.00 128.25 1ulm s PRO 14 Ca 0.60 0.95 -0.05 0.00 0.04 0.00 0.00 61.00 62.54 1ulm s PRO 14 Cb -0.10 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.53 1ulm s PRO 14 CO 0.14 -1.40 0.36 0.09 0.04 0.00 0.00 177.00 176.23 1ulm n ASN 15 N -3.33 -4.37 -0.18 6.66 4.13 -1.26 -1.98 115.26 114.92 1ulm n ASN 15 Ca 0.08 -0.19 -0.02 0.00 1.68 0.00 0.00 54.58 56.13 1ulm n ASN 15 Cb 0.54 -3.62 -0.01 0.00 -1.54 0.00 0.00 39.78 35.15 1ulm n ASN 15 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ulm n GLY 16 N -1.14 0.33 3.72 7.41 0.00 -1.24 -4.96 105.19 109.31 1ulm n GLY 16 Ca -0.08 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1ulm n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ulm s LYS 17 N -1.84 2.20 0.32 1.61 1.02 -0.84 -4.51 119.74 117.71 1ulm s LYS 17 Ca 0.00 1.84 -0.28 0.00 0.02 0.00 0.00 55.97 57.54 1ulm s LYS 17 Cb 0.00 -1.83 -0.09 0.00 -0.52 0.00 0.00 37.83 35.38 1ulm s LYS 17 CO 0.00 -1.80 1.12 0.00 -0.92 0.00 0.00 175.35 173.74 1ulm s SER 20 N 1.59 2.63 0.50 0.00 1.04 -0.18 0.32 113.70 119.60 1ulm s SER 20 Ca 0.04 1.38 0.33 0.00 0.48 0.00 0.00 55.95 58.18 1ulm s SER 20 Cb -0.18 -2.06 1.58 0.00 0.10 0.00 0.00 66.02 65.46 1ulm s SER 20 CO 0.06 -3.15 2.00 0.06 0.98 0.00 0.00 173.24 173.19 1ulm h GLN 21 N -1.90 0.00 -0.01 4.02 3.07 -1.77 -1.14 115.11 117.37 1ulm h GLN 21 Ca -0.54 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.20 1ulm h GLN 21 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.87 1ulm h GLN 21 CO 0.55 0.00 -0.12 0.91 0.09 0.00 0.00 178.83 180.25 1ulm n TRP 22 N -2.81 0.00 -1.08 0.06 8.01 -1.26 -4.95 117.44 115.41 1ulm n TRP 22 Ca -0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1ulm n TRP 22 Cb 0.19 -0.07 0.00 0.00 -2.01 0.00 0.00 31.31 29.41 1ulm n TRP 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ulm n GLY 23 N 1.25 1.12 3.29 6.99 0.00 -0.43 -4.84 105.19 112.56 1ulm n GLY 23 Ca 0.16 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 1ulm n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ulm s TYR 24 N -2.01 1.63 -0.04 1.61 1.51 -1.26 -0.48 117.35 118.32 1ulm s TYR 24 Ca 0.00 -0.50 -0.17 0.00 -1.01 0.00 0.00 57.07 55.39 1ulm s TYR 24 Cb 0.00 -0.84 -0.05 0.00 -0.11 0.00 0.00 41.96 40.96 1ulm s TYR 24 CO 0.00 0.24 0.45 0.00 -1.11 0.00 0.00 175.55 175.13 1ulm n GLY 26 N 2.44 0.45 0.00 0.00 0.00 -0.76 -4.99 105.19 102.33 1ulm n GLY 26 Ca -0.11 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1ulm n GLY 26 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ulm n THR 27 N -0.38 0.03 -1.98 2.61 -2.24 -1.26 -1.89 114.28 109.18 1ulm n THR 27 Ca 0.02 -0.15 -0.29 0.00 -2.27 0.00 0.00 64.05 61.36 1ulm n THR 27 Cb 0.23 1.63 0.17 0.00 -2.10 0.00 0.00 70.33 70.26 1ulm n THR 27 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ulm s THR 28 N -0.03 2.02 0.46 4.28 -4.23 -1.26 -4.74 115.64 112.14 1ulm s THR 28 Ca 0.00 -0.05 0.26 0.00 -1.18 0.00 0.00 61.69 60.72 1ulm s THR 28 Cb 0.00 -2.97 0.29 0.00 1.34 0.00 0.00 72.50 71.16 1ulm s THR 28 CO 0.00 0.00 2.10 -0.78 -0.54 0.00 0.00 174.62 175.40 1ulm h ASP 29 N -1.47 0.00 0.39 3.99 1.82 -1.98 -0.33 116.42 118.84 1ulm h ASP 29 Ca -0.44 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.17 1ulm h ASP 29 Cb 1.25 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.25 1ulm h ASP 29 CO 0.42 0.10 -0.16 0.78 -1.61 0.00 0.00 179.24 178.77 1ulm h ASN 30 N 0.00 0.00 0.06 2.28 2.35 -1.96 0.36 115.58 118.67 1ulm h ASN 30 Ca -0.00 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.37 1ulm h ASN 30 Cb 0.25 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.58 1ulm h ASN 30 CO 0.01 0.16 -2.26 -1.22 -1.65 0.00 0.00 177.43 172.48 1ulm n TYR 31 N -3.75 0.56 0.50 1.19 4.01 -0.45 -4.59 117.16 114.62 1ulm n TYR 31 Ca -0.02 0.12 0.11 0.00 -0.16 0.00 0.00 57.90 57.95 1ulm n TYR 31 Cb 0.27 -1.07 -0.10 0.00 -0.31 0.00 0.00 39.34 38.13 1ulm n TYR 31 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ulm n GLY 33 N 1.37 -0.38 3.70 0.00 0.00 0.12 -4.69 105.19 105.31 1ulm n GLY 33 Ca 0.00 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 1ulm n GLY 33 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ulm n GLN 34 N 0.00 2.25 0.00 1.61 7.27 -1.26 -1.59 117.38 125.66 1ulm n GLN 34 Ca 0.00 0.80 0.00 0.00 0.07 0.00 0.00 57.00 57.87 1ulm n GLN 34 Cb 0.00 -2.48 0.00 0.00 2.41 0.00 0.00 30.24 30.17 1ulm n GLN 34 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ulm n GLY 35 N 1.86 1.68 3.69 1.69 0.00 -1.26 -4.80 105.19 108.04 1ulm n GLY 35 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1ulm n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulm h GLN 37 N 5.67 0.23 -2.78 0.00 4.20 -0.32 -3.47 115.11 118.65 1ulm h GLN 37 Ca -0.45 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 57.85 1ulm h GLN 37 Cb 1.24 0.15 -0.14 0.00 0.30 0.00 0.00 27.48 29.03 1ulm h GLN 37 CO 0.87 1.07 0.22 -1.54 -0.67 0.00 0.00 178.83 178.78 1ulm s SER 38 N -6.91 -0.58 -1.49 1.46 1.04 -1.23 -4.95 113.70 101.03 1ulm s SER 38 Ca -0.10 0.14 -0.12 0.00 0.48 0.00 0.00 55.95 56.35 1ulm s SER 38 Cb 0.07 0.58 0.07 0.00 0.10 0.00 0.00 66.02 66.84 1ulm s SER 38 CO 0.84 -0.89 0.91 0.00 0.98 0.00 0.00 173.24 175.08 1ulm n GLN 39 N -0.12 -5.45 0.00 4.02 6.02 -1.26 -1.85 117.38 118.74 1ulm n GLN 39 Ca -0.17 0.63 0.10 0.00 -0.01 0.00 0.00 57.00 57.55 1ulm n GLN 39 Cb 0.63 -5.52 0.51 0.00 1.02 0.00 0.00 30.24 26.88 1ulm n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ulm n ASP 41 N -1.31 4.55 -0.34 0.00 8.00 -1.26 -4.69 116.55 121.51 1ulm n ASP 41 Ca 0.09 -3.70 0.18 0.00 0.71 0.00 0.00 54.79 52.07 1ulm n ASP 41 Cb 0.17 -0.81 0.40 0.00 -0.02 0.00 0.00 41.12 40.87 1ulm n ASP 41 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1ulm h TYR 42 N 1.32 0.92 -0.01 1.24 5.03 -1.78 -1.50 116.97 122.19 1ulm h TYR 42 Ca 0.54 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.88 1ulm h TYR 42 Cb 2.05 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 40.06 1ulm h TYR 42 CO 1.41 0.11 -0.04 0.91 -1.32 0.00 0.00 178.16 179.23 1ulm n TRP 43 N -4.78 0.00 -3.76 -3.82 7.02 -1.26 -4.81 117.44 106.03 1ulm n TRP 43 Ca 0.25 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.47 1ulm n TRP 43 Cb 0.73 -0.04 -0.03 0.00 -2.42 0.00 0.00 31.31 29.56 1ulm n TRP 43 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1ulm s ARG 44 N -2.12 3.50 0.26 -0.99 1.81 -0.57 -0.58 118.95 120.27 1ulm s ARG 44 Ca 0.37 -0.42 -0.20 0.00 -1.72 0.00 0.00 55.73 53.76 1ulm s ARG 44 Cb 0.21 -2.87 0.06 0.00 -0.45 0.00 0.00 34.95 31.90 1ulm s ARG 44 CO 0.38 0.43 0.89 0.00 -0.68 0.00 0.00 175.30 176.32 1ulm n GLY 46 N -0.56 -1.65 0.39 0.00 0.00 -0.74 -4.29 105.19 98.34 1ulm n GLY 46 Ca -0.06 -1.43 0.17 0.00 0.00 0.00 0.00 46.02 44.70 1ulm n GLY 46 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ulm h ARG 47 N 0.00 0.32 -0.01 1.61 0.11 -1.91 0.48 114.38 114.98 1ulm h ARG 47 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1ulm h ARG 47 Cb 0.00 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.01 1ulm h ARG 47 CO 0.00 0.21 -0.08 -0.25 0.10 0.00 0.00 179.97 179.95 1ulm n ASP 48 N -4.46 0.93 -2.59 0.08 8.00 -1.26 -4.14 116.55 113.12 1ulm n ASP 48 Ca 0.15 -1.08 -0.16 0.00 0.71 0.00 0.00 54.79 54.41 1ulm n ASP 48 Cb 0.60 0.01 0.02 0.00 -0.02 0.00 0.00 41.12 41.72 1ulm n ASP 48 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ulm n PHE 49 N -0.44 2.07 -1.88 1.24 3.01 -0.07 -4.94 117.46 116.45 1ulm n PHE 49 Ca 0.17 -2.92 -0.19 0.00 1.01 0.00 0.00 57.45 55.52 1ulm n PHE 49 Cb 0.30 -0.26 -0.05 0.00 -0.01 0.00 0.00 39.48 39.46 1ulm n PHE 49 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ulm n GLY 50 N -0.23 0.96 2.42 1.37 0.00 -1.20 -2.08 105.19 106.43 1ulm n GLY 50 Ca 0.21 -0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 1ulm n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ulm n GLY 51 N -0.77 1.09 3.76 -0.02 0.00 0.15 -4.95 105.19 104.44 1ulm n GLY 51 Ca -0.21 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 1ulm n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ulm s ARG 52 N -3.74 3.47 0.14 1.61 1.70 -0.88 -4.55 118.95 116.70 1ulm s ARG 52 Ca 0.00 2.21 -0.06 0.00 -0.47 0.00 0.00 55.73 57.41 1ulm s ARG 52 Cb 0.00 -2.44 -0.06 0.00 -0.57 0.00 0.00 34.95 31.88 1ulm s ARG 52 CO 0.00 -0.92 0.40 -0.51 -1.08 0.00 0.00 175.30 173.19 1ulm s LEU 53 N -3.11 4.27 0.58 -1.89 1.43 -1.26 -1.79 118.68 116.90 1ulm s LEU 53 Ca 0.66 0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 54.27 1ulm s LEU 53 Cb -0.39 -3.29 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 1ulm s LEU 53 CO 0.48 0.06 1.04 0.00 0.23 0.00 0.00 176.35 178.17 1ulm s GLU 55 N -4.12 1.50 -1.54 0.00 0.41 -1.26 -4.38 118.70 109.31 1ulm s GLU 55 Ca 0.62 -0.87 0.00 0.00 -0.41 0.00 0.00 54.97 54.31 1ulm s GLU 55 Cb -0.15 -2.21 0.00 0.00 -1.78 0.00 0.00 34.13 30.00 1ulm s GLU 55 CO 0.37 -1.64 0.00 0.39 -0.49 0.00 0.00 175.26 173.89 1ulm n GLU 56 N -3.05 -1.76 -2.31 1.61 1.02 -1.26 -2.06 120.64 112.83 1ulm n GLU 56 Ca 0.14 0.87 -0.17 0.00 -0.02 0.00 0.00 57.16 57.98 1ulm n GLU 56 Cb 0.60 -5.40 -0.02 0.00 -0.02 0.00 0.00 31.44 26.61 1ulm n GLU 56 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ulm n ASP 57 N -1.59 -4.95 -4.84 1.62 10.43 -1.26 -4.96 116.55 111.00 1ulm n ASP 57 Ca -0.19 0.12 -0.32 0.00 2.57 0.00 0.00 54.79 56.97 1ulm n ASP 57 Cb 0.62 -4.19 -0.04 0.00 1.84 0.00 0.00 41.12 39.35 1ulm n ASP 57 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 1ulm s MET 58 N -4.84 3.98 0.45 -1.24 -1.94 -0.88 -4.99 119.30 109.84 1ulm s MET 58 Ca 0.00 1.00 -0.19 0.00 -1.71 0.00 0.00 55.69 54.80 1ulm s MET 58 Cb 0.00 -2.14 -0.10 0.00 2.01 0.00 0.00 34.83 34.60 1ulm s MET 58 CO 0.00 -0.25 0.94 0.00 -0.01 0.00 0.00 175.02 175.70 1ulm s SER 61 N 1.70 1.68 0.39 0.00 1.04 -0.14 -0.41 113.70 117.96 1ulm s SER 61 Ca 0.02 1.44 0.28 0.00 0.48 0.00 0.00 55.95 58.17 1ulm s SER 61 Cb -0.20 -2.17 1.29 0.00 0.10 0.00 0.00 66.02 65.04 1ulm s SER 61 CO 0.05 -3.75 1.85 0.07 0.98 0.00 0.00 173.24 172.43 1ulm h LYS 62 N -2.32 0.00 -0.13 4.02 2.10 -1.80 -1.42 116.57 117.02 1ulm h LYS 62 Ca -0.58 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.07 1ulm h LYS 62 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1ulm h LYS 62 CO 0.52 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.63 1ulm n TYR 63 N -2.54 0.16 -1.24 0.07 4.01 -1.26 -4.95 117.16 111.40 1ulm n TYR 63 Ca 0.00 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1ulm n TYR 63 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1ulm n TYR 63 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ulm n GLY 64 N 1.26 0.49 3.47 2.72 0.00 -0.54 -4.99 105.19 107.61 1ulm n GLY 64 Ca 0.17 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 1ulm n GLY 64 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ulm s TRP 65 N -2.00 2.56 0.05 1.61 0.52 -1.26 -1.18 118.94 119.24 1ulm s TRP 65 Ca 0.00 -0.25 -0.20 0.00 0.02 0.00 0.00 56.10 55.67 1ulm s TRP 65 Cb 0.00 -1.42 -0.06 0.00 -1.15 0.00 0.00 33.47 30.84 1ulm s TRP 65 CO 0.00 0.31 0.57 0.00 0.02 0.00 0.00 176.95 177.85 1ulm s GLY 67 N -0.88 -0.08 -0.00 0.00 0.00 -0.53 -4.96 107.32 100.86 1ulm s GLY 67 Ca 0.29 -0.04 0.04 0.00 0.00 0.00 0.00 44.72 45.01 1ulm s GLY 67 CO 0.18 5.46 0.12 -1.72 0.00 0.00 0.00 173.10 177.15 1ulm n TYR 68 N -0.89 0.00 -0.90 1.90 4.01 -1.26 -0.31 117.16 119.70 1ulm n TYR 68 Ca 0.03 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.47 1ulm n TYR 68 Cb 0.58 -0.04 0.16 0.00 -0.31 0.00 0.00 39.34 39.74 1ulm n TYR 68 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1ulm s SER 69 N -1.79 3.07 0.53 7.72 1.04 -1.26 -4.73 113.70 118.27 1ulm s SER 69 Ca 0.00 1.86 0.18 0.00 0.48 0.00 0.00 55.95 58.47 1ulm s SER 69 Cb 0.03 -2.44 1.33 0.00 0.10 0.00 0.00 66.02 65.04 1ulm s SER 69 CO 0.15 -2.95 2.14 0.44 0.98 0.00 0.00 173.24 174.00 1ulm h ASP 70 N -1.76 0.00 0.66 7.02 3.45 -1.97 0.53 116.42 124.35 1ulm h ASP 70 Ca -0.47 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 56.91 1ulm h ASP 70 Cb 1.27 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.03 1ulm h ASP 70 CO 0.48 0.00 -0.37 0.44 -1.57 0.00 0.00 179.24 178.22 1ulm h ASP 71 N 0.00 0.00 0.70 6.45 3.45 -1.90 0.22 116.42 125.34 1ulm h ASP 71 Ca 0.02 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.32 1ulm h ASP 71 Cb 0.10 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.84 1ulm h ASP 71 CO -0.00 0.37 -1.41 1.41 -1.57 0.00 0.00 179.24 178.04 1ulm n HIS 72 N -3.69 0.98 0.50 4.55 8.25 0.03 -4.39 115.22 121.44 1ulm n HIS 72 Ca -0.01 0.32 0.08 0.00 -0.26 0.00 0.00 57.72 57.86 1ulm n HIS 72 Cb 0.47 -1.08 -0.11 0.00 1.12 0.00 0.00 29.99 30.38 1ulm n HIS 72 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ulm s GLU 74 N -2.85 2.00 -0.10 0.00 0.41 0.74 -4.64 118.70 114.26 1ulm s GLU 74 Ca 0.02 -1.18 -0.06 0.00 -0.41 0.00 0.00 54.97 53.34 1ulm s GLU 74 Cb 0.12 -2.19 0.02 0.00 -1.78 0.00 0.00 34.13 30.31 1ulm s GLU 74 CO 0.72 0.47 0.11 -0.25 -0.49 0.00 0.00 175.26 175.82 1ulm n ASP 75 N 0.42 -4.37 0.00 -0.19 10.43 -1.26 -4.21 116.55 117.37 1ulm n ASP 75 Ca -0.13 1.13 0.00 0.00 2.57 0.00 0.00 54.79 58.36 1ulm n ASP 75 Cb 0.54 -3.40 0.00 0.00 1.84 0.00 0.00 41.12 40.10 1ulm n ASP 75 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ulm n GLY 76 N 2.02 0.84 3.70 0.44 0.00 -1.26 -4.57 105.19 106.35 1ulm n GLY 76 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1ulm n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulm h GLN 78 N 6.06 0.00 -1.80 0.00 4.20 -0.94 -3.48 115.11 119.16 1ulm h GLN 78 Ca -0.44 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.41 1ulm h GLN 78 Cb 1.23 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.82 1ulm h GLN 78 CO 0.90 0.44 0.62 -1.54 -0.67 0.00 0.00 178.83 178.57 1ulm s SER 79 N -6.17 -0.29 -1.47 1.46 1.04 -1.25 -4.99 113.70 102.03 1ulm s SER 79 Ca 0.01 0.12 -0.06 0.00 0.48 0.00 0.00 55.95 56.50 1ulm s SER 79 Cb 0.08 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.53 1ulm s SER 79 CO 0.78 -0.41 0.61 0.00 0.98 0.00 0.00 173.24 175.20 1ulm n GLN 80 N 0.12 -3.81 0.06 4.02 6.02 -1.26 -1.92 117.38 120.62 1ulm n GLN 80 Ca -0.06 0.45 0.13 0.00 -0.01 0.00 0.00 57.00 57.51 1ulm n GLN 80 Cb 0.60 -4.87 0.41 0.00 1.02 0.00 0.00 30.24 27.40 1ulm n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05