#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgo n GLU 2 N 0.00 1.37 -0.47 2.12 1.02 -1.26 -4.82 120.64 118.60 1sgo n GLU 2 Ca 0.00 -3.99 0.07 0.00 -0.02 0.00 0.00 57.16 53.22 1sgo n GLU 2 Cb 0.00 -1.95 0.24 0.00 -0.02 0.00 0.00 31.44 29.71 1sgo n GLU 2 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1sgo n THR 3 N 1.87 2.30 0.00 2.62 -1.04 -1.26 -5.05 114.28 113.73 1sgo n THR 3 Ca 0.25 -2.05 0.00 0.00 -2.04 0.00 0.00 64.05 60.21 1sgo n THR 3 Cb 0.43 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 1sgo n THR 3 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1sgo n ASP 4 N -0.70 0.00 0.00 8.00 2.03 -1.26 -4.49 116.55 120.13 1sgo n ASP 4 Ca 0.23 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1sgo n ASP 4 Cb 0.90 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.30 1sgo n ASP 4 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sgo n ASN 6 N 0.00 -7.07 -1.78 0.00 5.15 -1.26 -4.93 115.26 105.36 1sgo n ASN 6 Ca 0.00 -0.37 -0.03 0.00 -0.60 0.00 0.00 54.58 53.58 1sgo n ASN 6 Cb 0.00 -5.13 0.27 0.00 -0.53 0.00 0.00 39.78 34.40 1sgo n ASN 6 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1sgo n PRO 7 N -2.45 3.51 -0.12 1.20 -0.04 -1.26 -4.27 135.00 131.57 1sgo n PRO 7 Ca -0.03 -2.58 -0.22 0.00 -0.04 0.00 0.00 63.50 60.63 1sgo n PRO 7 Cb 0.56 -2.09 -0.08 0.00 -0.04 0.00 0.00 33.50 31.85 1sgo n PRO 7 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1sgo n MET 8 N 0.05 0.56 -3.50 0.54 1.56 -1.26 -4.99 117.12 110.08 1sgo n MET 8 Ca 0.32 0.36 -0.24 0.00 -0.27 0.00 0.00 57.70 57.87 1sgo n MET 8 Cb 1.19 -1.56 -0.02 0.00 2.15 0.00 0.00 33.22 34.98 1sgo n MET 8 CO 0.00 0.00 0.00 -1.83 -0.73 0.00 0.00 175.97 173.41 1sgo s GLU 9 N -2.52 3.49 -0.98 2.12 -1.05 -1.26 -5.02 118.70 113.48 1sgo s GLU 9 Ca -0.32 -0.38 -0.21 0.00 -0.15 0.00 0.00 54.97 53.91 1sgo s GLU 9 Cb 0.09 -2.71 0.09 0.00 -0.44 0.00 0.00 34.13 31.16 1sgo s GLU 9 CO 0.48 0.22 1.31 -1.17 0.95 0.00 0.00 175.26 177.04 1sgo s LEU 10 N -4.12 4.20 -1.01 1.83 2.96 -1.26 -4.94 118.68 116.35 1sgo s LEU 10 Ca 0.39 -1.72 -0.22 0.00 -0.22 0.00 0.00 54.13 52.36 1sgo s LEU 10 Cb -0.10 -2.49 0.07 0.00 0.50 0.00 0.00 46.19 44.17 1sgo s LEU 10 CO 0.34 -1.31 1.39 -0.55 -1.32 0.00 0.00 176.35 174.90 1sgo s SER 11 N 4.37 6.53 -0.79 3.68 0.15 -1.26 -4.93 113.70 121.45 1sgo s SER 11 Ca 0.40 -1.57 -0.17 0.00 0.70 0.00 0.00 55.95 55.31 1sgo s SER 11 Cb -0.02 -2.54 0.16 0.00 -1.71 0.00 0.00 66.02 61.91 1sgo s SER 11 CO -0.10 -1.42 0.86 -0.55 1.20 0.00 0.00 173.24 173.23 1sgo s SER 12 N 4.72 6.55 0.33 5.45 0.15 -1.26 -4.96 113.70 124.69 1sgo s SER 12 Ca 0.44 -2.12 -0.14 0.00 0.70 0.00 0.00 55.95 54.82 1sgo s SER 12 Cb -0.01 -2.30 0.06 0.00 -1.71 0.00 0.00 66.02 62.06 1sgo s SER 12 CO -0.10 -0.89 0.74 1.15 1.20 0.00 0.00 173.24 175.34 1sgo n MET 13 N 5.49 0.97 -2.89 5.44 0.00 -1.26 -5.06 117.12 119.82 1sgo n MET 13 Ca 0.10 -1.93 -0.09 0.00 0.00 0.00 0.00 57.70 55.78 1sgo n MET 13 Cb 0.46 2.42 0.01 0.00 0.00 0.00 0.00 33.22 36.12 1sgo n MET 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1sgo n SER 14 N -1.45 -7.85 0.00 3.17 7.64 -1.26 -5.03 113.62 108.84 1sgo n SER 14 Ca -0.07 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1sgo n SER 14 Cb 0.53 -5.23 0.00 0.00 -1.01 0.00 0.00 64.21 58.51 1sgo n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sgo n GLY 15 N -0.32 0.35 2.94 0.23 0.00 -1.26 -5.13 105.19 101.99 1sgo n GLY 15 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 1sgo n GLY 15 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sgo s PHE 16 N 0.00 0.33 -0.98 1.61 0.08 -1.26 -5.09 117.98 112.67 1sgo s PHE 16 Ca 0.00 -0.09 -0.24 0.00 0.12 0.00 0.00 56.93 56.73 1sgo s PHE 16 Cb 0.00 -0.21 0.04 0.00 -0.57 0.00 0.00 43.02 42.28 1sgo s PHE 16 CO 0.00 -0.01 1.45 -1.21 -0.10 0.00 0.00 175.22 175.35 1sgo s GLU 17 N -0.17 3.49 0.07 0.44 8.01 -1.26 -4.80 118.70 124.49 1sgo s GLU 17 Ca 0.01 -0.96 -0.15 0.00 0.01 0.00 0.00 54.97 53.87 1sgo s GLU 17 Cb -0.02 -5.18 -0.18 0.00 -4.31 0.00 0.00 34.13 24.44 1sgo s GLU 17 CO -0.00 -2.25 1.25 1.49 0.01 0.00 0.00 175.26 175.76 1sgo h GLU 18 N 9.92 0.66 0.00 1.61 4.81 -2.07 -3.50 114.58 126.01 1sgo h GLU 18 Ca 0.13 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1sgo h GLU 18 Cb 1.02 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1sgo h GLU 18 CO 1.40 1.18 0.00 0.41 -0.73 0.00 0.00 179.01 181.27 1sgo n GLY 19 N 0.77 -0.44 3.02 1.92 0.00 -1.26 -5.13 105.19 104.07 1sgo n GLY 19 Ca -0.08 0.29 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 1sgo n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sgo s SER 20 N -4.00 -0.11 0.59 1.61 0.15 -1.26 -5.16 113.70 105.52 1sgo s SER 20 Ca 0.00 0.49 0.09 0.00 0.70 0.00 0.00 55.95 57.23 1sgo s SER 20 Cb 0.00 0.40 0.09 0.00 -1.71 0.00 0.00 66.02 64.81 1sgo s SER 20 CO 0.00 -0.18 0.77 -1.83 1.20 0.00 0.00 173.24 173.20 1sgo s GLU 21 N 1.45 2.22 0.00 5.44 -1.05 -1.26 -5.09 118.70 120.41 1sgo s GLU 21 Ca -0.07 -1.76 0.00 0.00 -0.15 0.00 0.00 54.97 52.99 1sgo s GLU 21 Cb -0.11 -2.55 0.00 0.00 -0.44 0.00 0.00 34.13 31.03 1sgo s GLU 21 CO -0.08 -0.92 0.22 -0.11 0.95 0.00 0.00 175.26 175.33 1sgo n LEU 22 N -2.24 1.64 -3.61 1.83 0.00 -1.26 -5.06 117.00 108.31 1sgo n LEU 22 Ca 0.14 0.23 -0.04 0.00 0.00 0.00 0.00 56.01 56.34 1sgo n LEU 22 Cb 0.62 -0.02 -0.03 0.00 0.00 0.00 0.00 43.42 44.00 1sgo n LEU 22 CO 0.40 -0.02 1.02 0.21 0.00 0.00 0.00 177.39 179.01 1sgo s ASN 23 N -1.47 -0.13 -0.45 1.96 2.47 -1.26 -5.04 114.94 111.01 1sgo s ASN 23 Ca 0.00 0.05 -0.01 0.00 0.42 0.00 0.00 52.86 53.33 1sgo s ASN 23 Cb 0.00 0.13 0.35 0.00 -1.45 0.00 0.00 41.25 40.28 1sgo s ASN 23 CO 0.00 -0.19 1.97 0.61 -3.72 0.00 0.00 177.10 175.77 1sgo n GLY 24 N 0.14 4.73 2.86 1.21 0.00 -1.26 -4.85 105.19 108.02 1sgo n GLY 24 Ca -0.01 -1.51 -0.15 0.00 0.00 0.00 0.00 46.02 44.36 1sgo n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sgo s PHE 25 N -2.67 0.19 -0.47 1.61 0.08 -1.26 -5.12 117.98 110.35 1sgo s PHE 25 Ca 0.45 -0.00 -0.12 0.00 0.12 0.00 0.00 56.93 57.38 1sgo s PHE 25 Cb 0.36 -0.22 0.09 0.00 -0.57 0.00 0.00 43.02 42.69 1sgo s PHE 25 CO 0.01 -0.05 0.36 -1.21 -0.10 0.00 0.00 175.22 174.23 1sgo s GLU 26 N 0.42 2.77 1.62 0.44 0.41 -1.26 -4.98 118.70 118.12 1sgo s GLU 26 Ca -0.04 -1.52 0.00 0.00 -0.41 0.00 0.00 54.97 53.00 1sgo s GLU 26 Cb -0.06 -4.01 0.00 0.00 -1.78 0.00 0.00 34.13 28.28 1sgo s GLU 26 CO -0.01 -1.08 0.00 0.41 -0.49 0.00 0.00 175.26 174.09 1sgo n GLY 27 N 5.07 0.65 5.21 -1.39 0.00 -1.26 -4.79 105.19 108.68 1sgo n GLY 27 Ca -0.11 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1sgo n GLY 27 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sgo n THR 28 N 0.00 0.00 -0.04 2.61 -1.04 -1.26 -2.84 114.28 111.71 1sgo n THR 28 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1sgo n THR 28 Cb 0.00 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 1sgo n THR 28 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1sgo n ASP 29 N 2.94 2.46 -4.84 8.00 2.03 -1.26 -5.02 116.55 120.86 1sgo n ASP 29 Ca 0.00 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.01 1sgo n ASP 29 Cb 0.00 0.89 0.06 0.00 -0.72 0.00 0.00 41.12 41.35 1sgo n ASP 29 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1sgo s MET 30 N -2.34 2.67 -0.65 -0.67 -1.94 -1.13 -5.03 119.30 110.21 1sgo s MET 30 Ca -0.05 0.68 0.06 0.00 -1.71 0.00 0.00 55.69 54.67 1sgo s MET 30 Cb 0.04 -1.98 0.22 0.00 2.01 0.00 0.00 34.83 35.11 1sgo s MET 30 CO 0.43 -1.21 0.64 1.63 -0.01 0.00 0.00 175.02 176.49 1sgo n LYS 31 N -3.17 2.15 -1.91 2.03 5.02 -1.26 -4.87 118.16 116.16 1sgo n LYS 31 Ca 0.07 -4.52 -0.43 0.00 -2.02 0.00 0.00 58.31 51.41 1sgo n LYS 31 Cb 0.56 -2.22 -0.03 0.00 -0.02 0.00 0.00 35.03 33.32 1sgo n LYS 31 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1sgo s ASP 32 N -2.00 5.95 0.15 4.39 2.15 -1.26 -3.85 116.67 122.19 1sgo s ASP 32 Ca 0.34 1.63 0.19 0.00 0.43 0.00 0.00 52.55 55.14 1sgo s ASP 32 Cb 0.08 -2.52 0.80 0.00 -0.30 0.00 0.00 42.92 40.97 1sgo s ASP 32 CO -0.08 -1.61 1.58 0.80 -0.17 0.00 0.00 175.17 175.69 1sgo n MET 33 N 8.26 0.10 0.23 4.34 0.00 0.33 -2.10 117.12 128.28 1sgo n MET 33 Ca 0.23 0.37 0.12 0.00 -0.00 0.00 0.00 57.70 58.42 1sgo n MET 33 Cb 0.45 -1.71 0.51 0.00 0.00 0.00 0.00 33.22 32.47 1sgo n MET 33 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 1sgo h ARG 34 N 0.00 0.00 -0.26 2.12 2.43 -1.88 0.15 114.38 116.94 1sgo h ARG 34 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1sgo h ARG 34 Cb 0.28 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1sgo h ARG 34 CO 0.00 0.17 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.52 1sgo h LEU 35 N 0.00 0.48 -1.65 3.80 3.38 -1.82 0.21 115.31 119.70 1sgo h LEU 35 Ca -0.00 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 1sgo h LEU 35 Cb 0.69 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1sgo h LEU 35 CO 0.02 0.71 -0.14 -0.33 0.09 0.00 0.00 178.44 178.80 1sgo h GLU 36 N 0.24 0.04 -0.04 1.13 4.39 -1.58 -2.07 114.58 116.70 1sgo h GLU 36 Ca 0.07 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1sgo h GLU 36 Cb 0.49 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1sgo h GLU 36 CO 0.02 0.19 -0.03 0.00 -1.16 0.00 0.00 179.01 178.03 1sgo h ALA 37 N 1.82 0.05 -0.94 3.43 0.00 0.08 -1.26 119.26 122.43 1sgo h ALA 37 Ca 0.01 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1sgo h ALA 37 Cb 0.28 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1sgo h ALA 37 CO 0.02 -0.19 0.61 0.93 0.00 0.00 0.00 179.25 180.62 1sgo h GLU 38 N -0.35 1.13 -0.35 0.00 4.39 -0.47 0.16 114.58 119.09 1sgo h GLU 38 Ca 0.01 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.66 1sgo h GLU 38 Cb 0.49 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1sgo h GLU 38 CO 0.01 0.74 0.18 0.00 -1.16 0.00 0.00 179.01 178.78 1sgo h ALA 39 N 1.40 0.43 -0.04 3.43 0.00 -1.23 -1.18 119.26 122.07 1sgo h ALA 39 Ca 0.38 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1sgo h ALA 39 Cb 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1sgo h ALA 39 CO -0.14 -0.19 0.01 0.28 0.00 0.00 0.00 179.25 179.21 1sgo h VAL 40 N 0.36 1.18 -0.87 0.00 2.07 -0.46 -1.68 116.25 116.84 1sgo h VAL 40 Ca 0.15 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 67.22 1sgo h VAL 40 Cb 0.05 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 1sgo h VAL 40 CO -0.10 0.14 0.53 0.58 0.02 0.00 0.00 177.57 178.74 1sgo h VAL 41 N -0.14 0.98 0.01 2.57 2.07 -0.49 -1.05 116.25 120.18 1sgo h VAL 41 Ca 0.01 -0.32 -0.19 0.00 0.82 0.00 0.00 66.70 67.03 1sgo h VAL 41 Cb 0.22 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 1sgo h VAL 41 CO -0.00 0.17 -0.89 -1.13 0.02 0.00 0.00 177.57 175.74 1sgo h ASN 42 N 0.92 0.07 -0.00 0.57 -1.24 -1.20 -2.85 115.58 111.84 1sgo h ASN 42 Ca 0.40 -0.06 -0.07 0.00 0.71 0.00 0.00 56.30 57.28 1sgo h ASN 42 Cb 0.29 -0.02 0.01 0.00 0.73 0.00 0.00 38.32 39.32 1sgo h ASN 42 CO -0.21 0.92 -0.28 -0.78 -1.29 0.00 0.00 177.43 175.78 1sgo h ASP 43 N 0.02 0.26 -0.43 1.15 3.58 -0.34 -3.33 116.42 117.33 1sgo h ASP 43 Ca -0.02 -0.77 0.00 0.00 0.42 0.00 0.00 57.03 56.66 1sgo h ASP 43 Cb 1.55 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.52 1sgo h ASP 43 CO 0.12 0.99 0.00 1.33 -2.88 0.00 0.00 179.24 178.80 1sgo n VAL 44 N -4.48 1.81 -0.30 2.25 0.24 -0.49 -4.59 118.33 112.77 1sgo n VAL 44 Ca -0.10 -1.39 0.07 0.00 -2.04 0.00 0.00 64.34 60.88 1sgo n VAL 44 Cb 0.52 0.08 0.28 0.00 -1.47 0.00 0.00 33.84 33.25 1sgo n VAL 44 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1sgo h LEU 45 N 2.75 0.83 -0.07 1.34 5.85 -1.62 -0.70 115.31 123.69 1sgo h LEU 45 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1sgo h LEU 45 Cb 1.28 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1sgo h LEU 45 CO 0.18 0.49 0.00 2.22 -0.34 0.00 0.00 178.44 180.99 1sgo n PHE 46 N -4.54 0.12 0.15 1.25 -1.74 -1.26 -2.58 117.46 108.87 1sgo n PHE 46 Ca 0.16 0.04 0.09 0.00 -0.56 0.00 0.00 57.45 57.18 1sgo n PHE 46 Cb 0.30 -0.57 0.07 0.00 1.52 0.00 0.00 39.48 40.80 1sgo n PHE 46 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1sgo h ALA 47 N 2.61 0.76 -3.80 1.98 0.00 -1.46 -3.46 119.26 115.89 1sgo h ALA 47 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1sgo h ALA 47 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1sgo h ALA 47 CO 0.00 0.22 0.00 1.33 0.00 0.00 0.00 179.25 180.80 1sgo n VAL 48 N -2.98 0.00 -0.06 0.00 0.24 -1.06 -3.84 118.33 110.62 1sgo n VAL 48 Ca 0.01 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.27 1sgo n VAL 48 Cb 0.61 -0.01 -0.02 0.00 -1.47 0.00 0.00 33.84 32.95 1sgo n VAL 48 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 1sgo h ASN 49 N 0.00 0.00 -5.21 -1.34 -1.24 -0.70 -3.43 115.58 103.66 1sgo h ASN 49 Ca 0.00 -0.12 -0.10 0.00 0.71 0.00 0.00 56.30 56.79 1sgo h ASN 49 Cb 0.00 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 38.91 1sgo h ASN 49 CO 0.00 0.71 -0.50 0.20 -1.29 0.00 0.00 177.43 176.55 1sgo s ASN 50 N -5.77 0.27 -0.28 1.15 0.01 -0.98 -5.01 114.94 104.34 1sgo s ASN 50 Ca -0.09 -0.83 -0.23 0.00 -0.71 0.00 0.00 52.86 51.01 1sgo s ASN 50 Cb 0.01 0.29 0.10 0.00 0.41 0.00 0.00 41.25 42.05 1sgo s ASN 50 CO 0.18 -0.69 0.84 -0.32 -1.51 0.00 0.00 177.10 175.61 1sgo s MET 51 N -3.90 0.66 -0.08 -0.60 1.75 -1.26 -0.40 119.30 115.47 1sgo s MET 51 Ca 0.07 0.87 -0.31 0.00 -1.25 0.00 0.00 55.69 55.08 1sgo s MET 51 Cb 0.06 0.28 0.09 0.00 2.84 0.00 0.00 34.83 38.09 1sgo s MET 51 CO -0.09 -0.09 0.77 0.12 -0.65 0.00 0.00 175.02 175.07 1sgo s PHE 52 N 0.64 -0.59 0.52 4.11 5.36 -0.11 -4.99 117.98 122.92 1sgo s PHE 52 Ca -0.02 1.02 -0.22 0.00 -0.96 0.00 0.00 56.93 56.75 1sgo s PHE 52 Cb -0.05 0.42 -0.06 0.00 -0.34 0.00 0.00 43.02 42.99 1sgo s PHE 52 CO -0.07 -0.53 1.34 0.54 -1.46 0.00 0.00 175.22 175.04 1sgo s VAL 53 N -1.13 2.21 0.31 3.12 0.11 -1.26 -0.34 120.40 123.42 1sgo s VAL 53 Ca -0.08 0.16 -0.29 0.00 -2.93 0.00 0.00 61.98 58.84 1sgo s VAL 53 Cb -0.00 -3.08 -0.11 0.00 -1.53 0.00 0.00 36.38 31.66 1sgo s VAL 53 CO 0.08 0.00 1.47 -0.44 -3.33 0.00 0.00 175.10 172.88 1sgo s SER 54 N -0.94 6.51 0.00 3.54 0.01 0.01 -4.60 113.70 118.23 1sgo s SER 54 Ca 0.69 2.85 0.14 0.00 1.31 0.00 0.00 55.95 60.94 1sgo s SER 54 Cb -0.39 -2.64 0.01 0.00 0.21 0.00 0.00 66.02 63.20 1sgo s SER 54 CO 0.47 -0.77 0.79 2.29 0.41 0.00 0.00 173.24 176.43 1sgo n LYS 55 N 1.47 1.73 -0.14 12.44 2.85 -1.26 -4.37 118.16 130.88 1sgo n LYS 55 Ca 0.04 -0.81 0.06 0.00 -1.05 0.00 0.00 58.31 56.55 1sgo n LYS 55 Cb 0.39 -1.21 0.14 0.00 -0.65 0.00 0.00 35.03 33.70 1sgo n LYS 55 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1sgo n SER 56 N -0.05 2.75 0.00 -5.58 7.64 -1.26 -5.00 113.62 112.12 1sgo n SER 56 Ca 0.06 -1.89 0.00 0.00 1.01 0.00 0.00 58.87 58.05 1sgo n SER 56 Cb 0.30 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1sgo n SER 56 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sgo n LEU 57 N 0.58 0.00 -4.04 -3.43 4.32 -1.26 -5.13 117.00 108.04 1sgo n LEU 57 Ca 0.11 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 56.02 1sgo n LEU 57 Cb 0.40 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.11 1sgo n LEU 57 CO 0.08 0.00 -0.26 0.00 -1.22 0.00 0.00 177.39 175.99 1sgo s ARG 58 N 2.41 0.77 -0.36 3.23 1.70 -1.26 -5.09 118.95 120.35 1sgo s ARG 58 Ca 0.00 -1.20 0.00 0.00 -0.47 0.00 0.00 55.73 54.06 1sgo s ARG 58 Cb 0.00 0.26 0.12 0.00 -0.57 0.00 0.00 34.95 34.76 1sgo s ARG 58 CO 0.00 -0.20 0.16 0.00 -1.08 0.00 0.00 175.30 174.18 1sgo n ALA 60 N 4.33 4.99 -0.99 0.00 0.00 -0.73 -4.86 120.51 123.26 1sgo n ALA 60 Ca 0.03 -4.42 0.00 0.00 0.00 0.00 0.00 53.44 49.06 1sgo n ALA 60 Cb 0.39 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 16.99 1sgo n ALA 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sgo n ASP 61 N 3.65 0.00 0.00 0.00 9.92 -1.26 -3.39 116.55 125.47 1sgo n ASP 61 Ca 0.36 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.59 1sgo n ASP 61 Cb 0.37 0.00 0.22 0.00 -0.64 0.00 0.00 41.12 41.07 1sgo n ASP 61 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1sgo h ASP 62 N 0.00 0.50 -3.53 -2.24 3.58 -1.90 0.95 116.42 113.78 1sgo h ASP 62 Ca 0.00 -0.15 -0.65 0.00 0.42 0.00 0.00 57.03 56.66 1sgo h ASP 62 Cb 0.00 -0.14 -0.22 0.00 1.72 0.00 0.00 39.33 40.69 1sgo h ASP 62 CO 0.00 0.70 -0.64 0.54 -2.88 0.00 0.00 179.24 176.96 1sgo s VAL 63 N -4.65 4.16 -0.05 2.25 0.11 -1.22 -3.50 120.40 117.50 1sgo s VAL 63 Ca -0.07 -0.23 0.01 0.00 -2.93 0.00 0.00 61.98 58.75 1sgo s VAL 63 Cb 0.14 -2.92 0.02 0.00 -1.53 0.00 0.00 36.38 32.10 1sgo s VAL 63 CO 0.79 0.38 -0.04 0.00 -3.33 0.00 0.00 175.10 172.90 1sgo s ALA 64 N 1.29 0.74 -0.10 1.54 0.00 0.26 -1.77 121.76 123.73 1sgo s ALA 64 Ca 0.04 -0.11 -0.20 0.00 0.00 0.00 0.00 51.96 51.69 1sgo s ALA 64 Cb -0.15 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 1sgo s ALA 64 CO 0.02 -0.11 0.56 0.71 0.00 0.00 0.00 175.76 176.95 1sgo s TYR 65 N 1.13 3.53 -0.06 0.00 2.02 -1.26 -0.41 117.35 122.31 1sgo s TYR 65 Ca -0.08 1.02 0.04 0.00 -0.37 0.00 0.00 57.07 57.69 1sgo s TYR 65 Cb -0.14 -2.65 -0.02 0.00 -0.40 0.00 0.00 41.96 38.75 1sgo s TYR 65 CO -0.01 0.13 -0.17 0.42 -1.57 0.00 0.00 175.55 174.35 1sgo s ILE 66 N 0.73 2.80 -0.16 2.71 1.01 0.62 -0.81 121.20 128.08 1sgo s ILE 66 Ca 0.30 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 60.08 1sgo s ILE 66 Cb -0.16 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 1sgo s ILE 66 CO 0.13 0.58 0.06 0.21 0.00 0.00 0.00 174.94 175.92 1sgo s ASN 67 N -0.52 5.60 -0.02 3.58 3.84 0.53 -0.36 114.94 127.59 1sgo s ASN 67 Ca 0.07 0.11 -0.02 0.00 0.21 0.00 0.00 52.86 53.23 1sgo s ASN 67 Cb -0.11 -1.90 0.00 0.00 -0.55 0.00 0.00 41.25 38.69 1sgo s ASN 67 CO 0.01 0.22 0.06 0.54 -2.79 0.00 0.00 177.10 175.15 1sgo s VAL 68 N 0.08 0.01 -0.25 -5.21 0.11 -0.62 -0.93 120.40 113.59 1sgo s VAL 68 Ca 0.05 -0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.02 1sgo s VAL 68 Cb -0.12 -0.13 0.06 0.00 -1.53 0.00 0.00 36.38 34.67 1sgo s VAL 68 CO 0.01 -0.05 -0.06 -0.70 -3.33 0.00 0.00 175.10 170.97 1sgo s GLU 69 N -0.13 1.78 1.17 1.54 2.12 0.47 -0.55 118.70 125.10 1sgo s GLU 69 Ca -0.02 -1.16 -0.14 0.00 0.36 0.00 0.00 54.97 54.01 1sgo s GLU 69 Cb -0.01 -2.71 0.28 0.00 0.26 0.00 0.00 34.13 31.95 1sgo s GLU 69 CO 0.00 -0.62 1.03 0.95 -0.54 0.00 0.00 175.26 176.08 1sgo s THR 70 N 1.28 1.93 -1.74 -1.70 -4.23 -0.70 -0.25 115.64 110.23 1sgo s THR 70 Ca -0.05 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 60.69 1sgo s THR 70 Cb -0.19 -2.15 0.54 0.00 1.34 0.00 0.00 72.50 72.04 1sgo s THR 70 CO -0.06 0.00 1.76 0.29 -0.54 0.00 0.00 174.62 176.06 1sgo n LYS 71 N -4.89 0.55 -0.11 3.99 5.02 -1.26 -0.42 118.16 121.04 1sgo n LYS 71 Ca 0.04 0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.48 1sgo n LYS 71 Cb 0.56 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 34.33 1sgo n LYS 71 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1sgo n GLU 72 N -1.13 2.17 -1.21 1.97 2.13 -1.26 -4.93 120.64 118.39 1sgo n GLU 72 Ca 0.14 -1.75 -0.07 0.00 0.66 0.00 0.00 57.16 56.14 1sgo n GLU 72 Cb 0.13 -1.47 -0.03 0.00 0.27 0.00 0.00 31.44 30.34 1sgo n GLU 72 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1sgo n ARG 73 N 1.00 -1.12 -2.54 5.31 1.74 0.44 -4.96 116.66 116.53 1sgo n ARG 73 Ca 0.17 0.67 -0.43 0.00 -0.77 0.00 0.00 57.85 57.49 1sgo n ARG 73 Cb 0.50 -4.70 -0.02 0.00 -1.02 0.00 0.00 32.46 27.22 1sgo n ARG 73 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1sgo s ASN 74 N -2.44 6.77 -0.09 0.55 0.02 -1.26 -4.79 114.94 113.70 1sgo s ASN 74 Ca 0.00 1.02 -0.12 0.00 -1.02 0.00 0.00 52.86 52.74 1sgo s ASN 74 Cb 0.00 -2.54 -0.05 0.00 0.02 0.00 0.00 41.25 38.68 1sgo s ASN 74 CO 0.00 -1.03 0.30 -0.13 0.02 0.00 0.00 177.10 176.26 1sgo s ARG 75 N 4.00 3.93 0.06 -0.60 0.52 -1.26 -1.72 118.95 123.89 1sgo s ARG 75 Ca 0.50 0.16 0.05 0.00 -0.52 0.00 0.00 55.73 55.93 1sgo s ARG 75 Cb -0.13 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.02 1sgo s ARG 75 CO 0.21 0.53 -0.15 0.71 0.02 0.00 0.00 175.30 176.62 1sgo s TYR 76 N -0.45 1.31 -0.27 -0.53 1.51 0.29 -2.83 117.35 116.37 1sgo s TYR 76 Ca 0.19 -0.42 -0.06 0.00 -1.01 0.00 0.00 57.07 55.76 1sgo s TYR 76 Cb -0.14 -0.75 -0.00 0.00 -0.11 0.00 0.00 41.96 40.96 1sgo s TYR 76 CO 0.07 0.07 0.05 0.00 -1.11 0.00 0.00 175.55 174.64 1sgo s LEU 78 N 1.52 3.59 -0.58 0.00 1.43 0.51 -0.68 118.68 124.47 1sgo s LEU 78 Ca 0.04 0.05 -0.19 0.00 -1.03 0.00 0.00 54.13 52.99 1sgo s LEU 78 Cb -0.16 -1.87 0.10 0.00 0.03 0.00 0.00 46.19 44.28 1sgo s LEU 78 CO 0.02 0.24 0.69 -0.70 0.23 0.00 0.00 176.35 176.82 1sgo s GLU 79 N -0.02 3.06 -0.34 1.70 2.12 0.25 -0.28 118.70 125.19 1sgo s GLU 79 Ca 0.04 -1.24 -0.23 0.00 0.36 0.00 0.00 54.97 53.89 1sgo s GLU 79 Cb -0.13 -4.24 0.01 0.00 0.26 0.00 0.00 34.13 30.03 1sgo s GLU 79 CO 0.02 -1.49 0.78 -1.17 -0.54 0.00 0.00 175.26 172.87 1sgo s LEU 80 N 2.68 4.11 0.29 2.70 2.96 0.45 -2.29 118.68 129.57 1sgo s LEU 80 Ca 0.12 0.47 0.07 0.00 -0.22 0.00 0.00 54.13 54.58 1sgo s LEU 80 Cb -0.23 -3.04 -0.06 0.00 0.50 0.00 0.00 46.19 43.35 1sgo s LEU 80 CO 0.07 -0.69 -0.06 0.42 -1.32 0.00 0.00 176.35 174.77 1sgo s THR 81 N 3.04 1.73 0.44 3.68 -4.23 0.18 -0.57 115.64 119.90 1sgo s THR 81 Ca 0.32 -2.14 0.23 0.00 -1.18 0.00 0.00 61.69 58.92 1sgo s THR 81 Cb -0.14 -2.48 0.26 0.00 1.34 0.00 0.00 72.50 71.48 1sgo s THR 81 CO 0.15 -0.28 2.06 -0.08 -0.54 0.00 0.00 174.62 175.93 1sgo h GLU 82 N 2.24 0.00 -0.00 3.99 4.81 -1.94 -0.23 114.58 123.45 1sgo h GLU 82 Ca -0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1sgo h GLU 82 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1sgo h GLU 82 CO 0.68 0.13 -0.06 0.00 -0.73 0.00 0.00 179.01 179.03 1sgo n ALA 83 N -2.36 2.59 0.00 2.92 0.00 -1.26 -5.01 120.51 117.39 1sgo n ALA 83 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1sgo n ALA 83 Cb 0.23 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1sgo n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sgo n GLY 84 N 1.34 1.02 3.20 0.00 0.00 -0.10 -4.82 105.19 105.82 1sgo n GLY 84 Ca 0.12 -1.94 -0.23 0.00 0.00 0.00 0.00 46.02 43.98 1sgo n GLY 84 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1sgo s LEU 85 N 0.00 2.18 0.15 0.99 0.05 -0.30 -0.65 118.68 121.10 1sgo s LEU 85 Ca 0.00 -0.50 0.04 0.00 0.05 0.00 0.00 54.13 53.71 1sgo s LEU 85 Cb 0.00 -0.78 -0.04 0.00 -2.05 0.00 0.00 46.19 43.32 1sgo s LEU 85 CO 0.00 0.09 -0.08 -0.54 -0.55 0.00 0.00 176.35 175.27 1sgo s LYS 86 N -1.21 1.05 -0.44 1.48 3.01 -0.97 -0.83 119.74 121.83 1sgo s LYS 86 Ca 0.04 -1.46 -0.24 0.00 -1.01 0.00 0.00 55.97 53.31 1sgo s LYS 86 Cb -0.08 -0.52 0.02 0.00 -1.01 0.00 0.00 37.83 36.24 1sgo s LYS 86 CO 0.02 0.03 0.81 0.08 0.51 0.00 0.00 175.35 176.80 1sgo s VAL 87 N -3.41 4.63 -1.48 3.17 1.01 -1.26 -0.58 120.40 122.47 1sgo s VAL 87 Ca 0.17 0.57 0.12 0.00 0.00 0.00 0.00 61.98 62.85 1sgo s VAL 87 Cb 0.04 -4.32 0.14 0.00 0.00 0.00 0.00 36.38 32.23 1sgo s VAL 87 CO 0.01 -0.69 0.96 1.33 0.00 0.00 0.00 175.10 176.70 1sgo n VAL 88 N 6.13 0.15 -3.56 2.92 0.24 0.14 -4.63 118.33 119.72 1sgo n VAL 88 Ca 0.03 -0.58 -0.08 0.00 -2.04 0.00 0.00 64.34 61.68 1sgo n VAL 88 Cb 0.48 1.14 -0.02 0.00 -1.47 0.00 0.00 33.84 33.98 1sgo n VAL 88 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1sgo s GLY 89 N -1.03 -0.42 -0.30 7.63 0.00 -0.92 -1.30 107.32 110.98 1sgo s GLY 89 Ca 0.16 0.71 0.19 0.00 0.00 0.00 0.00 44.72 45.78 1sgo s GLY 89 CO 0.16 0.23 1.03 1.58 0.00 0.00 0.00 173.10 176.10 1sgo n TYR 90 N -0.32 1.41 -3.25 1.90 0.18 -1.26 -0.49 117.16 115.34 1sgo n TYR 90 Ca -0.09 -2.54 0.00 0.00 1.88 0.00 0.00 57.90 57.15 1sgo n TYR 90 Cb 0.62 -0.30 0.00 0.00 -0.38 0.00 0.00 39.34 39.28 1sgo n TYR 90 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1sgo n ALA 91 N -0.32 0.00 -2.84 -3.48 0.00 -1.13 -4.71 120.51 108.03 1sgo n ALA 91 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.12 1sgo n ALA 91 Cb 0.81 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.20 1sgo n ALA 91 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1sgo s PHE 92 N -4.74 3.07 -0.87 0.00 5.36 -1.26 -4.23 117.98 115.31 1sgo s PHE 92 Ca 0.00 -0.67 -0.04 0.00 -0.96 0.00 0.00 56.93 55.26 1sgo s PHE 92 Cb 0.00 -3.58 -0.04 0.00 -0.34 0.00 0.00 43.02 39.06 1sgo s PHE 92 CO 0.00 -1.05 0.78 -0.25 -1.46 0.00 0.00 175.22 173.24 1sgo n ASP 93 N 6.06 -6.54 -3.60 6.13 9.92 -1.26 -5.04 116.55 122.22 1sgo n ASP 93 Ca -0.08 -0.47 -0.18 0.00 -0.53 0.00 0.00 54.79 53.52 1sgo n ASP 93 Cb 0.45 -4.83 -0.15 0.00 -0.64 0.00 0.00 41.12 35.95 1sgo n ASP 93 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1sgo s GLN 94 N -3.89 0.09 -0.19 -1.24 -0.44 -1.26 -4.98 119.66 107.75 1sgo s GLN 94 Ca 0.30 0.38 0.01 0.00 -2.50 0.00 0.00 55.36 53.54 1sgo s GLN 94 Cb -0.04 -0.76 0.04 0.00 -1.64 0.00 0.00 33.01 30.61 1sgo s GLN 94 CO 0.67 -0.46 -0.13 0.08 0.50 0.00 0.00 175.29 175.95 1sgo s VAL 95 N 2.29 1.72 -0.06 1.34 1.01 -1.26 -3.80 120.40 121.64 1sgo s VAL 95 Ca 0.04 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1sgo s VAL 95 Cb -0.14 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1sgo s VAL 95 CO -0.08 0.27 -0.00 -0.62 0.00 0.00 0.00 175.10 174.67 1sgo s ASP 96 N 1.38 5.15 0.52 3.32 2.15 -0.42 -5.00 116.67 123.78 1sgo s ASP 96 Ca 0.01 0.09 0.29 0.00 0.43 0.00 0.00 52.55 53.37 1sgo s ASP 96 Cb -0.15 -1.41 1.34 0.00 -0.30 0.00 0.00 42.92 42.40 1sgo s ASP 96 CO -0.09 0.35 2.00 -0.78 -0.17 0.00 0.00 175.17 176.48 1sgo h ASP 97 N 4.94 0.00 0.68 -0.34 3.58 -2.00 -3.12 116.42 120.16 1sgo h ASP 97 Ca -0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.95 1sgo h ASP 97 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1sgo h ASP 97 CO 0.55 0.11 -0.21 1.41 -2.88 0.00 0.00 179.24 178.22 1sgo n HIS 98 N -3.37 0.00 -2.48 0.28 8.25 -1.26 -4.68 115.22 111.96 1sgo n HIS 98 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 1sgo n HIS 98 Cb 0.30 -0.34 -0.02 0.00 1.12 0.00 0.00 29.99 31.05 1sgo n HIS 98 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1sgo s LEU 99 N -2.89 3.58 -0.93 2.41 1.02 -1.18 -4.93 118.68 115.77 1sgo s LEU 99 Ca 0.16 0.57 -0.01 0.00 0.02 0.00 0.00 54.13 54.88 1sgo s LEU 99 Cb 0.19 -3.48 0.29 0.00 0.02 0.00 0.00 46.19 43.20 1sgo s LEU 99 CO 0.58 -1.38 1.20 1.67 0.02 0.00 0.00 176.35 178.44 1sgo n GLN 100 N 8.05 3.74 -3.37 1.70 7.27 -1.26 -4.97 117.38 128.54 1sgo n GLN 100 Ca 0.14 -4.59 -0.26 0.00 0.07 0.00 0.00 57.00 52.35 1sgo n GLN 100 Cb 0.49 -2.42 -0.02 0.00 2.41 0.00 0.00 30.24 30.69 1sgo n GLN 100 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1sgo s THR 101 N -2.60 5.08 0.00 1.69 -4.23 -1.26 -5.11 115.64 109.20 1sgo s THR 101 Ca 0.34 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 1sgo s THR 101 Cb 0.07 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 70.12 1sgo s THR 101 CO 0.05 -0.43 0.00 -2.65 -0.54 0.00 0.00 174.62 171.06 1sgo n PRO 102 N -1.32 0.42 -3.72 3.99 -0.02 -1.26 -4.96 135.00 128.13 1sgo n PRO 102 Ca -0.03 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.23 1sgo n PRO 102 Cb 0.55 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.99 1sgo n PRO 102 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1sgo s TYR 103 N -0.56 2.78 0.01 6.00 2.02 -1.26 -4.55 117.35 121.78 1sgo s TYR 103 Ca 0.00 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.31 1sgo s TYR 103 Cb 0.00 -1.98 -0.01 0.00 -0.40 0.00 0.00 41.96 39.57 1sgo s TYR 103 CO 0.00 0.04 -0.08 -1.01 -1.57 0.00 0.00 175.55 172.94 1sgo s HIS 104 N -2.41 0.69 0.00 2.71 3.76 -0.01 -4.97 115.29 115.06 1sgo s HIS 104 Ca 0.44 -0.24 -0.21 0.00 -0.15 0.00 0.00 55.06 54.91 1sgo s HIS 104 Cb -0.04 -0.43 -0.12 0.00 1.11 0.00 0.00 32.58 33.11 1sgo s HIS 104 CO 0.27 -0.02 0.94 1.49 -0.85 0.00 0.00 174.74 176.57 1sgo h GLU 105 N 5.49 -0.72 -6.44 1.40 4.57 -1.87 -0.77 114.58 116.23 1sgo h GLU 105 Ca -0.32 0.05 -0.61 0.00 -1.18 0.00 0.00 59.36 57.30 1sgo h GLU 105 Cb 1.19 0.16 -0.21 0.00 -0.16 0.00 0.00 28.75 29.73 1sgo h GLU 105 CO 0.47 -0.48 -0.84 0.99 -1.18 0.00 0.00 179.01 177.97 1sgo s THR 106 N -4.08 1.96 0.53 0.32 2.01 -1.26 -4.45 115.64 110.67 1sgo s THR 106 Ca -0.11 -1.68 0.27 0.00 0.31 0.00 0.00 61.69 60.48 1sgo s THR 106 Cb 0.01 -1.77 0.32 0.00 0.01 0.00 0.00 72.50 71.07 1sgo s THR 106 CO 0.33 -0.03 2.19 1.62 -0.69 0.00 0.00 174.62 178.03 1sgo h VAL 107 N 3.89 0.60 -0.05 3.82 3.04 -1.98 -2.32 116.25 123.24 1sgo h VAL 107 Ca -0.48 -0.19 -0.00 0.00 -1.01 0.00 0.00 66.70 65.02 1sgo h VAL 107 Cb 1.18 1.12 -0.00 0.00 -2.01 0.00 0.00 31.29 31.57 1sgo h VAL 107 CO 0.41 0.04 0.02 1.88 -1.01 0.00 0.00 177.57 178.91 1sgo h TYR 108 N 0.00 0.08 -0.58 3.17 0.05 -1.99 0.25 116.97 117.95 1sgo h TYR 108 Ca -0.00 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.69 1sgo h TYR 108 Cb 0.11 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 1sgo h TYR 108 CO 0.00 0.25 0.04 0.77 -1.05 0.00 0.00 178.16 178.17 1sgo h SER 109 N -0.11 0.94 -0.02 3.88 0.02 -1.88 -2.53 113.55 113.85 1sgo h SER 109 Ca 0.02 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1sgo h SER 109 Cb 0.20 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 1sgo h SER 109 CO -0.00 0.98 0.01 0.25 -1.14 0.00 0.00 176.83 176.92 1sgo h LEU 110 N 0.91 0.03 -1.48 5.07 5.85 -1.24 -3.07 115.31 121.39 1sgo h LEU 110 Ca 0.17 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1sgo h LEU 110 Cb 0.47 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1sgo h LEU 110 CO 0.02 0.22 0.03 0.25 -0.34 0.00 0.00 178.44 178.62 1sgo h LEU 111 N -0.16 0.33 -0.72 2.25 5.85 -0.40 -2.07 115.31 120.40 1sgo h LEU 111 Ca 0.01 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1sgo h LEU 111 Cb 0.20 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1sgo h LEU 111 CO -0.00 0.37 0.10 -0.78 -0.34 0.00 0.00 178.44 177.79 1sgo h ASP 112 N 0.36 1.03 0.72 1.25 3.58 -1.39 0.54 116.42 122.51 1sgo h ASP 112 Ca 0.09 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1sgo h ASP 112 Cb 0.20 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1sgo h ASP 112 CO 0.00 1.03 0.00 0.71 -2.88 0.00 0.00 179.24 178.10 1sgo h THR 113 N 1.01 0.00 0.00 2.25 1.35 -1.28 -3.26 112.91 112.98 1sgo h THR 113 Ca 0.20 -0.35 -0.34 0.00 -0.55 0.00 0.00 66.41 65.36 1sgo h THR 113 Cb 0.44 1.32 -0.06 0.00 -1.73 0.00 0.00 68.15 68.13 1sgo h THR 113 CO 0.01 0.00 -2.21 0.18 -0.25 0.00 0.00 175.52 173.25 1sgo n LEU 114 N -3.02 2.22 -3.87 3.87 4.77 -0.86 -4.88 117.00 115.22 1sgo n LEU 114 Ca -0.00 0.09 -0.30 0.00 -0.03 0.00 0.00 56.01 55.77 1sgo n LEU 114 Cb 0.23 -0.69 -0.15 0.00 -2.33 0.00 0.00 43.42 40.49 1sgo n LEU 114 CO 0.24 0.64 -0.32 -0.55 -1.33 0.00 0.00 177.39 176.08 1sgo s SER 115 N -6.54 4.36 0.38 -1.43 0.15 0.18 -4.95 113.70 105.86 1sgo s SER 115 Ca -0.30 -1.99 0.27 0.00 0.70 0.00 0.00 55.95 54.63 1sgo s SER 115 Cb 0.10 -1.26 1.34 0.00 -1.71 0.00 0.00 66.02 64.49 1sgo s SER 115 CO 0.43 -0.38 1.82 -0.65 1.20 0.00 0.00 173.24 175.66 1sgo h PRO 116 N 7.72 0.00 0.00 5.44 0.11 -1.79 -1.25 132.00 142.23 1sgo h PRO 116 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1sgo h PRO 116 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1sgo h PRO 116 CO 0.50 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.29 1sgo n ALA 117 N -1.86 1.90 -0.18 -0.75 0.00 -1.26 -2.74 120.51 115.62 1sgo n ALA 117 Ca -0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.32 1sgo n ALA 117 Cb 0.12 -1.30 0.05 0.00 0.00 0.00 0.00 19.45 18.33 1sgo n ALA 117 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1sgo h TYR 118 N 0.00 0.57 -0.33 0.00 3.20 -1.33 0.13 116.97 119.22 1sgo h TYR 118 Ca 0.00 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.73 1sgo h TYR 118 Cb 0.25 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1sgo h TYR 118 CO 0.00 0.31 -0.43 0.00 -1.64 0.00 0.00 178.16 176.40 1sgo h ARG 119 N 0.60 0.84 0.03 1.82 3.08 -1.75 -1.91 114.38 117.09 1sgo h ARG 119 Ca 0.23 -0.46 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 1sgo h ARG 119 Cb 0.08 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1sgo h ARG 119 CO -0.13 1.10 -0.01 0.93 -1.07 0.00 0.00 179.97 180.79 1sgo h GLU 120 N 0.67 -0.04 -0.43 0.04 5.08 -1.58 -1.10 114.58 117.23 1sgo h GLU 120 Ca 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1sgo h GLU 120 Cb 1.01 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 1sgo h GLU 120 CO 0.10 0.19 0.19 0.00 -1.00 0.00 0.00 179.01 178.49 1sgo h ALA 121 N 0.71 0.55 -0.31 3.43 0.00 -0.77 -1.29 119.26 121.58 1sgo h ALA 121 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1sgo h ALA 121 Cb 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1sgo h ALA 121 CO 0.01 0.13 0.09 0.35 0.00 0.00 0.00 179.25 179.83 1sgo h PHE 122 N 0.55 0.50 -0.83 0.00 3.57 -1.32 0.91 116.94 120.32 1sgo h PHE 122 Ca 0.15 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1sgo h PHE 122 Cb 0.15 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1sgo h PHE 122 CO -0.01 0.52 0.42 0.78 -2.23 0.00 0.00 178.31 177.79 1sgo h GLY 123 N 0.34 1.27 1.20 2.40 0.00 -1.08 0.16 103.07 107.37 1sgo h GLY 123 Ca 0.10 -0.61 -0.17 0.00 0.00 0.00 0.00 47.33 46.65 1sgo h GLY 123 CO -0.00 0.58 -0.47 -0.57 0.00 0.00 0.00 176.54 176.08 1sgo h ASN 124 N 1.18 0.93 0.44 0.19 -1.24 -1.02 -2.32 115.58 113.74 1sgo h ASN 124 Ca 0.29 -0.46 -0.11 0.00 0.71 0.00 0.00 56.30 56.72 1sgo h ASN 124 Cb 0.09 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.86 1sgo h ASN 124 CO -0.04 1.25 -0.49 0.00 -1.29 0.00 0.00 177.43 176.86 1sgo h ALA 125 N 0.78 1.14 -0.31 1.57 0.00 -0.58 -3.15 119.26 118.70 1sgo h ALA 125 Ca 0.03 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 1sgo h ALA 125 Cb 1.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1sgo h ALA 125 CO 0.11 0.63 -0.16 1.25 0.00 0.00 0.00 179.25 181.08 1sgo h LEU 126 N 0.05 0.68 0.00 0.00 5.85 -0.47 -2.90 115.31 118.52 1sgo h LEU 126 Ca -0.00 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1sgo h LEU 126 Cb 0.89 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1sgo h LEU 126 CO 0.07 0.94 0.00 0.00 -0.34 0.00 0.00 178.44 179.11 1sgo n LEU 127 N -4.37 0.00 0.26 2.25 -0.00 -0.89 -1.96 117.00 112.29 1sgo n LEU 127 Ca -0.03 0.49 0.11 0.00 -0.00 0.00 0.00 56.01 56.57 1sgo n LEU 127 Cb 0.39 -0.49 0.72 0.00 -0.00 0.00 0.00 43.42 44.04 1sgo n LEU 127 CO 0.42 -0.21 1.02 1.56 -0.00 0.00 0.00 177.39 180.19 1sgo h GLN 128 N 0.00 0.00 0.00 1.47 4.20 -1.50 0.08 115.11 119.36 1sgo h GLN 128 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1sgo h GLN 128 Cb 0.28 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1sgo h GLN 128 CO 0.00 0.08 -0.19 0.00 -0.67 0.00 0.00 178.83 178.05 1sgo h ARG 129 N 0.00 0.00 0.00 1.46 -0.00 -1.56 0.10 114.38 114.38 1sgo h ARG 129 Ca -0.00 0.00 -0.19 0.00 -0.50 0.00 0.00 59.98 59.29 1sgo h ARG 129 Cb 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.11 1sgo h ARG 129 CO 0.01 0.19 -1.05 -0.07 0.00 0.00 0.00 179.97 179.05 1sgo h LEU 130 N 0.00 0.00 -0.12 3.04 3.38 -1.19 -2.89 115.31 117.54 1sgo h LEU 130 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1sgo h LEU 130 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1sgo h LEU 130 CO 0.02 0.81 -0.26 -0.33 0.09 0.00 0.00 178.44 178.77 1sgo h GLU 131 N 0.00 0.39 -0.01 1.13 4.39 -0.77 -2.06 114.58 117.65 1sgo h GLU 131 Ca -0.08 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.34 1sgo h GLU 131 Cb 1.69 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.37 1sgo h GLU 131 CO 0.09 0.86 -0.12 0.00 -1.16 0.00 0.00 179.01 178.68 1sgo h ALA 132 N 0.53 1.78 -0.03 3.43 0.00 -1.10 -0.33 119.26 123.54 1sgo h ALA 132 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1sgo h ALA 132 Cb 0.86 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1sgo h ALA 132 CO 0.06 0.17 -0.03 1.25 0.00 0.00 0.00 179.25 180.70 1sgo h LEU 133 N 0.01 0.08 -0.74 0.00 5.85 -1.40 -2.34 115.31 116.78 1sgo h LEU 133 Ca 0.00 -0.47 -0.13 0.00 0.84 0.00 0.00 57.88 58.12 1sgo h LEU 133 Cb 0.22 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1sgo h LEU 133 CO 0.02 0.53 -0.54 0.11 -0.34 0.00 0.00 178.44 178.21 1sgo h LYS 134 N -0.37 0.24 0.00 1.25 1.57 -1.03 -2.61 116.57 115.63 1sgo h LYS 134 Ca 0.01 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1sgo h LYS 134 Cb 0.51 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1sgo h LYS 134 CO 0.01 0.73 0.00 0.54 -0.57 0.00 0.00 179.45 180.15 1sgo n ARG 135 N -3.92 0.23 -0.08 3.15 1.74 -0.16 -2.62 116.66 115.01 1sgo n ARG 135 Ca -0.02 0.26 -0.14 0.00 -0.77 0.00 0.00 57.85 57.17 1sgo n ARG 135 Cb 0.57 -1.80 -0.03 0.00 -1.02 0.00 0.00 32.46 30.18 1sgo n ARG 135 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1sgo h ASP 136 N 0.00 0.95 0.00 0.55 3.58 -1.01 -3.47 116.42 117.01 1sgo h ASP 136 Ca 0.00 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 56.95 1sgo h ASP 136 Cb 0.63 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1sgo h ASP 136 CO 0.00 1.30 0.00 0.61 -2.88 0.00 0.00 179.24 178.27 1sgo n GLY 137 N 0.33 1.41 1.14 -0.78 0.00 -1.08 -1.69 105.19 104.53 1sgo n GLY 137 Ca -0.04 0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.25 1sgo n GLY 137 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sgo n GLN 138 N 0.00 2.99 -0.52 1.61 6.02 -1.26 -5.03 117.38 121.19 1sgo n GLN 138 Ca 0.00 -2.52 0.00 0.00 -0.01 0.00 0.00 57.00 54.47 1sgo n GLN 138 Cb 0.00 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 29.71 1sgo n GLN 138 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48