#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 0.00 -2.38 0.03 0.00 -1.26 -5.11 120.64 111.92 1sgo n GLU 2 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.15 1sgo n GLU 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.43 1sgo n GLU 2 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1sgo n THR 3 N -1.05 -9.83 -4.07 3.84 -1.04 -1.26 -5.08 114.28 95.78 1sgo n THR 3 Ca 0.00 1.61 -0.24 0.00 -2.04 0.00 0.00 64.05 63.38 1sgo n THR 3 Cb 0.00 -6.09 -0.02 0.00 -1.82 0.00 0.00 70.33 62.40 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 0.75 2.69 0.00 8.00 -0.08 -1.26 -5.06 116.55 121.59 1sgo n ASP 4 Ca -0.10 -2.68 0.00 0.00 -1.51 0.00 0.00 54.79 50.51 1sgo n ASP 4 Cb 0.15 0.07 0.00 0.00 2.34 0.00 0.00 41.12 43.67 1sgo n ASP 4 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sgo s ASN 6 N -1.54 1.47 -0.17 0.00 3.84 -1.26 -5.04 114.94 112.24 1sgo s ASN 6 Ca 0.00 -0.10 0.01 0.00 0.21 0.00 0.00 52.86 52.99 1sgo s ASN 6 Cb 0.00 -0.21 0.25 0.00 -0.55 0.00 0.00 41.25 40.74 1sgo s ASN 6 CO 0.00 -0.26 1.37 -0.81 -2.79 0.00 0.00 177.10 174.61 1sgo n PRO 7 N 5.27 1.48 -4.02 0.43 -0.05 -1.26 -4.86 135.00 131.99 1sgo n PRO 7 Ca -0.04 -1.15 -0.13 0.00 -0.05 0.00 0.00 63.50 62.13 1sgo n PRO 7 Cb 0.50 -1.45 -0.03 0.00 -0.05 0.00 0.00 33.50 32.47 1sgo n PRO 7 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1sgo s MET 8 N -1.26 1.95 0.13 0.54 0.23 -1.26 -4.94 119.30 114.69 1sgo s MET 8 Ca 0.22 -1.64 0.04 0.00 -1.03 0.00 0.00 55.69 53.28 1sgo s MET 8 Cb 0.18 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 33.93 1sgo s MET 8 CO 0.04 -0.84 -0.09 -2.00 -2.03 0.00 0.00 175.02 170.10 1sgo s GLU 9 N -2.98 1.00 0.00 3.16 2.12 -1.26 -5.03 118.70 115.71 1sgo s GLU 9 Ca 0.26 -1.42 0.00 0.00 0.36 0.00 0.00 54.97 54.17 1sgo s GLU 9 Cb -0.01 -0.51 0.00 0.00 0.26 0.00 0.00 34.13 33.86 1sgo s GLU 9 CO 0.17 0.05 0.47 1.47 -0.54 0.00 0.00 175.26 176.88 1sgo n LEU 10 N -0.16 1.30 -4.55 2.70 -0.00 -1.26 -4.76 117.00 110.28 1sgo n LEU 10 Ca -0.11 -0.65 -0.38 0.00 -0.00 0.00 0.00 56.01 54.88 1sgo n LEU 10 Cb 0.61 -0.28 -0.03 0.00 -0.00 0.00 0.00 43.42 43.71 1sgo n LEU 10 CO 0.32 0.23 1.42 -0.44 -0.00 0.00 0.00 177.39 178.92 1sgo s SER 11 N 0.50 5.64 0.00 1.45 0.01 -1.26 -4.68 113.70 115.36 1sgo s SER 11 Ca 0.00 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1sgo s SER 11 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1sgo s SER 11 CO 0.00 -2.19 0.00 -1.20 0.41 0.00 0.00 173.24 170.26 1sgo n SER 12 N 11.55 0.00 0.00 2.44 7.64 -1.26 -4.45 113.62 129.54 1sgo n SER 12 Ca 0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1sgo n SER 12 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1sgo n SER 12 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1sgo n MET 13 N 0.00 0.00 -4.51 1.43 1.56 -1.26 -5.16 117.12 109.18 1sgo n MET 13 Ca 0.00 0.00 -0.24 0.00 -0.27 0.00 0.00 57.70 57.19 1sgo n MET 13 Cb 0.00 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.27 1sgo n MET 13 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1sgo s SER 14 N -0.80 2.84 0.00 6.12 1.04 -1.26 -4.80 113.70 116.84 1sgo s SER 14 Ca 0.00 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.03 1sgo s SER 14 Cb 0.00 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1sgo s SER 14 CO 0.00 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.24 1sgo n GLY 15 N -0.79 1.53 1.67 7.32 0.00 -1.26 -4.84 105.19 108.82 1sgo n GLY 15 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.01 1sgo n GLY 15 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1sgo n PHE 16 N -1.84 0.26 0.86 1.61 7.35 -1.26 -4.79 117.46 119.65 1sgo n PHE 16 Ca 0.00 -0.87 0.09 0.00 -0.76 0.00 0.00 57.45 55.91 1sgo n PHE 16 Cb 0.00 -0.17 -0.03 0.00 0.35 0.00 0.00 39.48 39.63 1sgo n PHE 16 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 1sgo n GLU 17 N 0.18 1.33 -2.56 -4.13 0.00 -1.26 -4.81 120.64 109.40 1sgo n GLU 17 Ca 0.08 -0.68 -0.01 0.00 0.00 0.00 0.00 57.16 56.55 1sgo n GLU 17 Cb 1.06 -1.37 -0.01 0.00 0.00 0.00 0.00 31.44 31.12 1sgo n GLU 17 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1sgo n GLU 18 N -0.41 -3.23 -2.52 3.44 1.02 -1.26 -4.93 120.64 112.74 1sgo n GLU 18 Ca 0.07 2.61 -0.25 0.00 -0.02 0.00 0.00 57.16 59.57 1sgo n GLU 18 Cb 0.37 -4.86 0.03 0.00 -0.02 0.00 0.00 31.44 26.97 1sgo n GLU 18 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1sgo s GLY 19 N -1.34 1.63 0.00 0.62 0.00 -1.26 -4.99 107.32 101.98 1sgo s GLY 19 Ca -0.03 -0.86 0.20 0.00 0.00 0.00 0.00 44.72 44.03 1sgo s GLY 19 CO 0.70 -0.59 1.46 1.44 0.00 0.00 0.00 173.10 176.10 1sgo n SER 20 N -2.49 3.66 -1.62 1.64 7.64 -1.26 -4.62 113.62 116.57 1sgo n SER 20 Ca 0.05 -1.99 -0.02 0.00 1.01 0.00 0.00 58.87 57.91 1sgo n SER 20 Cb 0.58 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 63.35 1sgo n SER 20 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1sgo n GLU 21 N 1.38 1.14 -0.10 1.43 2.13 -1.26 -3.84 120.64 121.52 1sgo n GLU 21 Ca 0.21 -0.19 -0.12 0.00 0.66 0.00 0.00 57.16 57.73 1sgo n GLU 21 Cb 0.57 -1.21 -0.15 0.00 0.27 0.00 0.00 31.44 30.92 1sgo n GLU 21 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1sgo n LEU 22 N 1.72 0.65 -4.21 4.31 4.77 -1.26 -4.88 117.00 118.09 1sgo n LEU 22 Ca 0.08 0.01 -0.34 0.00 -0.03 0.00 0.00 56.01 55.73 1sgo n LEU 22 Cb 0.55 0.19 -0.15 0.00 -2.33 0.00 0.00 43.42 41.69 1sgo n LEU 22 CO 0.02 0.58 -0.45 0.21 -1.33 0.00 0.00 177.39 176.43 1sgo s ASN 23 N -5.75 3.85 -0.03 -1.43 2.47 -1.25 -4.93 114.94 107.87 1sgo s ASN 23 Ca -0.14 -0.59 0.18 0.00 0.42 0.00 0.00 52.86 52.73 1sgo s ASN 23 Cb 0.07 -1.62 0.33 0.00 -1.45 0.00 0.00 41.25 38.57 1sgo s ASN 23 CO 0.79 -0.03 1.14 0.61 -3.72 0.00 0.00 177.10 175.88 1sgo n GLY 24 N 4.70 1.49 3.30 1.21 0.00 -1.26 -5.04 105.19 109.59 1sgo n GLY 24 Ca -0.19 -0.72 -0.03 0.00 0.00 0.00 0.00 46.02 45.08 1sgo n GLY 24 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sgo s PHE 25 N -0.46 -1.18 0.08 1.61 5.36 -1.26 -5.16 117.98 116.97 1sgo s PHE 25 Ca 0.27 1.71 -0.09 0.00 -0.96 0.00 0.00 56.93 57.86 1sgo s PHE 25 Cb 0.30 0.48 -0.06 0.00 -0.34 0.00 0.00 43.02 43.40 1sgo s PHE 25 CO -0.11 -0.68 0.39 -1.83 -1.46 0.00 0.00 175.22 171.53 1sgo s GLU 26 N 2.75 3.74 -0.39 10.12 -1.05 -1.26 -5.06 118.70 127.56 1sgo s GLU 26 Ca 0.05 0.15 0.05 0.00 -0.15 0.00 0.00 54.97 55.07 1sgo s GLU 26 Cb -0.13 -2.99 0.16 0.00 -0.44 0.00 0.00 34.13 30.73 1sgo s GLU 26 CO -0.17 0.56 0.47 0.20 0.95 0.00 0.00 175.26 177.27 1sgo s GLY 27 N -1.79 -0.48 0.04 -3.83 0.00 -1.26 -5.13 107.32 94.86 1sgo s GLY 27 Ca 0.33 -0.54 -0.30 0.00 0.00 0.00 0.00 44.72 44.21 1sgo s GLY 27 CO 0.18 3.08 1.06 -1.08 0.00 0.00 0.00 173.10 176.34 1sgo s THR 28 N 1.58 4.52 -0.41 0.90 -1.32 -1.26 -4.96 115.64 114.70 1sgo s THR 28 Ca 0.17 1.84 0.10 0.00 -1.21 0.00 0.00 61.69 62.59 1sgo s THR 28 Cb -0.11 -4.18 0.32 0.00 -1.51 0.00 0.00 72.50 67.02 1sgo s THR 28 CO -0.05 0.16 0.70 -0.67 -2.21 0.00 0.00 174.62 172.56 1sgo n ASP 29 N 3.77 1.14 -4.66 8.08 2.03 -1.26 -5.10 116.55 120.56 1sgo n ASP 29 Ca 0.07 -3.02 -0.38 0.00 0.52 0.00 0.00 54.79 51.98 1sgo n ASP 29 Cb 0.49 -0.62 -0.08 0.00 -0.72 0.00 0.00 41.12 40.19 1sgo n ASP 29 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1sgo s MET 30 N -2.24 4.11 0.50 -0.67 -2.45 -1.26 -5.06 119.30 112.24 1sgo s MET 30 Ca 0.40 0.00 -0.22 0.00 -1.25 0.00 0.00 55.69 54.62 1sgo s MET 30 Cb 0.29 -3.55 -0.06 0.00 1.25 0.00 0.00 34.83 32.76 1sgo s MET 30 CO -0.09 -0.03 1.22 -1.59 1.05 0.00 0.00 175.02 175.58 1sgo s LYS 31 N 1.30 3.47 -0.39 4.11 -2.85 -1.26 -4.99 119.74 119.13 1sgo s LYS 31 Ca 0.14 1.90 -0.13 0.00 -1.00 0.00 0.00 55.97 56.89 1sgo s LYS 31 Cb -0.14 -2.29 0.02 0.00 -2.06 0.00 0.00 37.83 33.36 1sgo s LYS 31 CO 0.07 -0.82 0.25 0.34 0.10 0.00 0.00 175.35 175.28 1sgo s ASP 32 N -1.29 5.90 0.58 0.03 -1.08 -1.26 -4.50 116.67 115.04 1sgo s ASP 32 Ca 0.68 -0.95 0.37 0.00 -0.52 0.00 0.00 52.55 52.13 1sgo s ASP 32 Cb -0.32 -2.08 1.71 0.00 -1.46 0.00 0.00 42.92 40.77 1sgo s ASP 32 CO 0.38 -0.41 2.11 -0.03 0.52 0.00 0.00 175.17 177.73 1sgo h MET 33 N 8.52 0.00 -0.58 4.34 1.85 -1.08 -2.55 114.93 125.43 1sgo h MET 33 Ca -0.26 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 58.82 1sgo h MET 33 Cb 1.11 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 33.11 1sgo h MET 33 CO 0.69 0.00 0.34 0.00 -0.40 0.00 0.00 176.91 177.55 1sgo h ARG 34 N 0.00 0.78 0.23 0.39 3.08 -1.89 0.11 114.38 117.08 1sgo h ARG 34 Ca 0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1sgo h ARG 34 Cb 0.34 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1sgo h ARG 34 CO 0.00 0.55 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.27 1sgo h LEU 35 N 0.79 -0.26 -2.35 3.04 3.38 -1.81 0.15 115.31 118.25 1sgo h LEU 35 Ca 0.21 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1sgo h LEU 35 Cb -0.03 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1sgo h LEU 35 CO -0.04 0.15 -0.04 -0.33 0.09 0.00 0.00 178.44 178.27 1sgo h GLU 36 N -0.72 0.00 -0.00 1.13 3.07 -1.64 0.03 114.58 116.44 1sgo h GLU 36 Ca -0.03 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1sgo h GLU 36 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1sgo h GLU 36 CO 0.05 0.04 -0.01 0.00 -1.40 0.00 0.00 179.01 177.69 1sgo h ALA 37 N 1.96 0.00 -0.89 3.43 0.00 -0.36 -2.62 119.26 120.78 1sgo h ALA 37 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1sgo h ALA 37 Cb 0.13 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1sgo h ALA 37 CO 0.01 -0.17 0.55 1.49 0.00 0.00 0.00 179.25 181.13 1sgo h GLU 38 N -0.62 1.19 -0.50 0.00 4.22 -0.19 -0.40 114.58 118.28 1sgo h GLU 38 Ca -0.00 -0.09 0.07 0.00 0.08 0.00 0.00 59.36 59.41 1sgo h GLU 38 Cb 0.65 -0.26 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 1sgo h GLU 38 CO 0.00 0.82 0.19 0.00 -2.18 0.00 0.00 179.01 177.84 1sgo h ALA 39 N 1.30 0.62 -0.22 2.92 0.00 -1.04 -1.07 119.26 121.78 1sgo h ALA 39 Ca 0.32 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 1sgo h ALA 39 Cb -0.08 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1sgo h ALA 39 CO -0.06 -0.20 0.04 0.28 0.00 0.00 0.00 179.25 179.31 1sgo h VAL 40 N 0.37 1.22 -0.80 0.00 2.07 -1.01 -0.63 116.25 117.47 1sgo h VAL 40 Ca 0.24 -0.74 0.10 0.00 0.82 0.00 0.00 66.70 67.12 1sgo h VAL 40 Cb 0.24 1.28 -0.08 0.00 -1.52 0.00 0.00 31.29 31.22 1sgo h VAL 40 CO -0.23 0.23 0.44 0.58 0.02 0.00 0.00 177.57 178.61 1sgo h VAL 41 N 0.17 0.87 0.09 2.57 2.07 -0.57 -2.12 116.25 119.34 1sgo h VAL 41 Ca 0.07 -0.25 -0.26 0.00 0.82 0.00 0.00 66.70 67.08 1sgo h VAL 41 Cb 0.31 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1sgo h VAL 41 CO 0.00 0.13 -1.20 -1.13 0.02 0.00 0.00 177.57 175.39 1sgo h ASN 42 N 0.73 0.31 0.34 0.57 -0.00 -1.16 -3.10 115.58 113.27 1sgo h ASN 42 Ca 0.40 -0.34 -0.02 0.00 -0.00 0.00 0.00 56.30 56.34 1sgo h ASN 42 Cb 0.40 -0.10 0.00 0.00 -0.00 0.00 0.00 38.32 38.63 1sgo h ASN 42 CO -0.27 1.27 -0.17 -0.78 -0.00 0.00 0.00 177.43 177.48 1sgo h ASP 43 N 0.05 -0.39 -0.55 1.15 3.58 -0.46 -3.21 116.42 116.59 1sgo h ASP 43 Ca -0.11 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.22 1sgo h ASP 43 Cb 1.92 0.10 0.00 0.00 1.72 0.00 0.00 39.33 43.08 1sgo h ASP 43 CO 0.18 -0.09 0.00 1.33 -2.88 0.00 0.00 179.24 177.78 1sgo n VAL 44 N -5.19 2.22 -0.35 2.25 0.24 -0.93 -4.55 118.33 112.01 1sgo n VAL 44 Ca -0.10 -1.38 0.04 0.00 -2.04 0.00 0.00 64.34 60.87 1sgo n VAL 44 Cb 0.26 -0.06 0.20 0.00 -1.47 0.00 0.00 33.84 32.77 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 3.60 0.93 0.00 1.34 5.85 -1.54 -1.04 115.31 124.46 1sgo h LEU 45 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1sgo h LEU 45 Cb 1.62 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.49 1sgo h LEU 45 CO 0.32 0.55 0.00 2.22 -0.34 0.00 0.00 178.44 181.18 1sgo n PHE 46 N -4.59 0.00 0.17 1.25 -1.74 -1.26 -2.19 117.46 109.10 1sgo n PHE 46 Ca 0.16 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.17 1sgo n PHE 46 Cb 0.27 -0.17 0.08 0.00 1.52 0.00 0.00 39.48 41.17 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 3.41 0.70 -3.55 1.98 0.00 -1.53 -3.45 119.26 116.82 1sgo h ALA 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sgo h ALA 47 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1sgo h ALA 47 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.58 1sgo n VAL 48 N -2.81 0.00 -0.06 0.00 0.24 -0.93 -4.44 118.33 110.32 1sgo n VAL 48 Ca 0.02 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.26 1sgo n VAL 48 Cb 0.54 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.87 1sgo n VAL 48 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 1sgo h ASN 49 N 0.00 0.00 -4.40 -1.34 2.35 -0.73 -3.44 115.58 108.02 1sgo h ASN 49 Ca 0.00 -0.26 -0.08 0.00 -0.55 0.00 0.00 56.30 55.41 1sgo h ASN 49 Cb 0.00 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 38.16 1sgo h ASN 49 CO 0.00 0.75 -0.03 0.21 -1.65 0.00 0.00 177.43 176.70 1sgo s ASN 50 N -5.85 -0.53 0.06 5.81 3.84 -1.15 -4.99 114.94 112.13 1sgo s ASN 50 Ca -0.10 0.84 0.07 0.00 0.21 0.00 0.00 52.86 53.88 1sgo s ASN 50 Cb 0.00 0.84 -0.03 0.00 -0.55 0.00 0.00 41.25 41.52 1sgo s ASN 50 CO 0.24 -0.35 -0.18 -0.04 -2.79 0.00 0.00 177.10 173.99 1sgo s MET 51 N -0.37 1.10 0.33 0.43 -1.94 -1.26 -0.77 119.30 116.82 1sgo s MET 51 Ca -0.05 -0.96 -0.04 0.00 -1.71 0.00 0.00 55.69 52.93 1sgo s MET 51 Cb -0.03 -1.21 0.00 0.00 2.01 0.00 0.00 34.83 35.60 1sgo s MET 51 CO 0.04 0.29 0.49 0.12 -0.01 0.00 0.00 175.02 175.95 1sgo s PHE 52 N -0.99 0.94 -0.11 -0.03 5.36 0.51 -4.98 117.98 118.67 1sgo s PHE 52 Ca 0.04 -1.21 0.01 0.00 -0.96 0.00 0.00 56.93 54.81 1sgo s PHE 52 Cb -0.09 -0.01 -0.02 0.00 -0.34 0.00 0.00 43.02 42.57 1sgo s PHE 52 CO 0.02 -1.14 -0.14 0.54 -1.46 0.00 0.00 175.22 173.04 1sgo s VAL 53 N -3.11 2.98 -0.43 3.12 0.11 -1.26 -0.17 120.40 121.64 1sgo s VAL 53 Ca 0.29 -0.70 -0.28 0.00 -2.93 0.00 0.00 61.98 58.36 1sgo s VAL 53 Cb -0.01 -2.23 -0.01 0.00 -1.53 0.00 0.00 36.38 32.60 1sgo s VAL 53 CO 0.18 0.54 1.73 -0.44 -3.33 0.00 0.00 175.10 173.79 1sgo s SER 54 N 0.18 5.81 -0.14 3.54 0.01 0.71 -4.82 113.70 118.99 1sgo s SER 54 Ca -0.08 0.92 0.16 0.00 1.31 0.00 0.00 55.95 58.26 1sgo s SER 54 Cb -0.15 -2.53 0.72 0.00 0.21 0.00 0.00 66.02 64.27 1sgo s SER 54 CO 0.05 -1.84 1.62 0.29 0.41 0.00 0.00 173.24 173.77 1sgo n LYS 55 N 8.58 3.95 -0.03 12.44 5.02 -1.26 -3.78 118.16 143.08 1sgo n LYS 55 Ca 0.21 -2.82 0.10 0.00 -2.02 0.00 0.00 58.31 53.78 1sgo n LYS 55 Cb 0.48 -1.98 0.11 0.00 -0.02 0.00 0.00 35.03 33.62 1sgo n LYS 55 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1sgo n SER 56 N 0.95 2.81 0.00 4.39 7.64 -1.26 -4.95 113.62 123.20 1sgo n SER 56 Ca 0.25 -1.87 0.00 0.00 1.01 0.00 0.00 58.87 58.26 1sgo n SER 56 Cb 0.95 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 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 1.18 0.00 -4.36 -3.43 4.32 -1.25 -5.15 117.00 108.31 1sgo n LEU 57 Ca 0.13 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.80 1sgo n LEU 57 Cb 0.52 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 42.17 1sgo n LEU 57 CO 0.13 0.00 -0.51 0.00 -1.22 0.00 0.00 177.39 175.79 1sgo s ARG 58 N 2.48 2.60 -0.25 3.23 1.70 -1.26 -5.10 118.95 122.36 1sgo s ARG 58 Ca 0.00 -0.80 -0.06 0.00 -0.47 0.00 0.00 55.73 54.40 1sgo s ARG 58 Cb 0.00 -2.29 0.12 0.00 -0.57 0.00 0.00 34.95 32.21 1sgo s ARG 58 CO 0.00 0.47 0.52 0.00 -1.08 0.00 0.00 175.30 175.20 1sgo n ALA 60 N 5.41 1.21 0.02 0.00 0.00 -1.00 -4.89 120.51 121.26 1sgo n ALA 60 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1sgo n ALA 60 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1sgo n ALA 60 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1sgo n ASP 61 N -3.45 0.27 0.01 0.00 5.75 -1.26 -1.51 116.55 116.36 1sgo n ASP 61 Ca 0.00 0.05 0.11 0.00 -0.01 0.00 0.00 54.79 54.94 1sgo n ASP 61 Cb 0.00 -0.07 -0.14 0.00 -1.03 0.00 0.00 41.12 39.87 1sgo n ASP 61 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1sgo n ASP 62 N -2.77 0.15 -3.89 -1.12 5.75 -1.26 -2.75 116.55 110.65 1sgo n ASP 62 Ca 0.00 0.02 -0.13 0.00 -0.01 0.00 0.00 54.79 54.67 1sgo n ASP 62 Cb 0.00 1.74 -0.14 0.00 -1.03 0.00 0.00 41.12 41.69 1sgo n ASP 62 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1sgo s VAL 63 N -3.48 0.11 -0.08 2.12 0.11 -1.26 -3.76 120.40 114.16 1sgo s VAL 63 Ca -0.06 -0.07 -0.03 0.00 -2.93 0.00 0.00 61.98 58.88 1sgo s VAL 63 Cb 0.13 -0.10 0.04 0.00 -1.53 0.00 0.00 36.38 34.93 1sgo s VAL 63 CO 0.89 0.02 0.15 0.00 -3.33 0.00 0.00 175.10 172.83 1sgo s ALA 64 N -0.06 -0.10 -0.12 1.54 0.00 0.23 -2.36 121.76 120.89 1sgo s ALA 64 Ca 0.00 0.50 -0.23 0.00 0.00 0.00 0.00 51.96 52.23 1sgo s ALA 64 Cb -0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 1sgo s ALA 64 CO -0.00 -0.55 0.72 0.71 0.00 0.00 0.00 175.76 176.64 1sgo s TYR 65 N 2.27 3.49 -0.09 0.00 2.02 -1.26 -0.76 117.35 123.02 1sgo s TYR 65 Ca 0.03 1.18 0.04 0.00 -0.37 0.00 0.00 57.07 57.96 1sgo s TYR 65 Cb -0.12 -2.86 -0.01 0.00 -0.40 0.00 0.00 41.96 38.57 1sgo s TYR 65 CO -0.05 -0.06 -0.23 0.42 -1.57 0.00 0.00 175.55 174.06 1sgo s ILE 66 N 1.40 2.21 -0.15 2.71 1.01 0.59 -0.21 121.20 128.76 1sgo s ILE 66 Ca 0.36 -0.98 -0.22 0.00 0.00 0.00 0.00 60.65 59.81 1sgo s ILE 66 Cb -0.17 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1sgo s ILE 66 CO 0.15 0.56 0.67 0.20 0.00 0.00 0.00 174.94 176.52 1sgo s ASN 67 N 0.13 6.80 -0.15 3.58 -0.87 0.76 -0.34 114.94 124.86 1sgo s ASN 67 Ca -0.12 0.98 -0.01 0.00 -1.57 0.00 0.00 52.86 52.14 1sgo s ASN 67 Cb -0.16 -2.38 0.04 0.00 -0.02 0.00 0.00 41.25 38.74 1sgo s ASN 67 CO 0.07 -0.23 -0.02 0.54 -2.57 0.00 0.00 177.10 174.88 1sgo s VAL 68 N 1.56 0.83 -0.45 1.60 0.11 -0.16 -0.36 120.40 123.53 1sgo s VAL 68 Ca 0.32 -0.45 -0.14 0.00 -2.93 0.00 0.00 61.98 58.78 1sgo s VAL 68 Cb -0.16 -1.07 0.06 0.00 -1.53 0.00 0.00 36.38 33.68 1sgo s VAL 68 CO 0.13 0.09 0.34 -0.70 -3.33 0.00 0.00 175.10 171.62 1sgo s GLU 69 N 1.76 2.90 1.18 1.54 2.12 0.05 -0.31 118.70 127.94 1sgo s GLU 69 Ca 0.01 -1.30 -0.18 0.00 0.36 0.00 0.00 54.97 53.86 1sgo s GLU 69 Cb -0.15 -4.01 0.28 0.00 0.26 0.00 0.00 34.13 30.50 1sgo s GLU 69 CO -0.07 -0.95 1.11 0.95 -0.54 0.00 0.00 175.26 175.76 1sgo s THR 70 N 1.60 1.65 -2.00 -1.70 -4.23 -0.95 -0.21 115.64 109.80 1sgo s THR 70 Ca 0.04 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.69 1sgo s THR 70 Cb -0.23 -2.49 0.41 0.00 1.34 0.00 0.00 72.50 71.54 1sgo s THR 70 CO 0.06 0.00 1.37 0.29 -0.54 0.00 0.00 174.62 175.80 1sgo n LYS 71 N -4.70 0.73 0.00 3.99 5.02 -1.26 -0.44 118.16 121.49 1sgo n LYS 71 Ca 0.12 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.54 1sgo n LYS 71 Cb 0.59 -1.31 0.37 0.00 -0.02 0.00 0.00 35.03 34.65 1sgo n LYS 71 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1sgo n GLU 72 N -0.81 0.63 -1.07 1.97 4.71 -1.26 -4.93 120.64 119.87 1sgo n GLU 72 Ca 0.11 -0.36 -0.03 0.00 -0.01 0.00 0.00 57.16 56.88 1sgo n GLU 72 Cb 0.05 -1.49 -0.01 0.00 -1.01 0.00 0.00 31.44 28.98 1sgo n GLU 72 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 1sgo n ARG 73 N -0.87 -0.70 -3.38 3.49 0.00 0.42 -5.00 116.66 110.62 1sgo n ARG 73 Ca 0.11 0.38 -0.38 0.00 -0.00 0.00 0.00 57.85 57.96 1sgo n ARG 73 Cb 0.34 -4.04 -0.06 0.00 0.00 0.00 0.00 32.46 28.70 1sgo n ARG 73 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1sgo s ASN 74 N -2.29 6.68 -0.25 6.15 2.47 -1.26 -4.87 114.94 121.57 1sgo s ASN 74 Ca 0.00 0.81 -0.13 0.00 0.42 0.00 0.00 52.86 53.96 1sgo s ASN 74 Cb 0.00 -2.27 -0.04 0.00 -1.45 0.00 0.00 41.25 37.49 1sgo s ASN 74 CO 0.00 0.08 0.28 -0.13 -3.72 0.00 0.00 177.10 173.60 1sgo s ARG 75 N 0.28 4.05 0.09 0.43 3.00 -1.26 -2.23 118.95 123.30 1sgo s ARG 75 Ca 0.24 -0.09 0.04 0.00 0.00 0.00 0.00 55.73 55.92 1sgo s ARG 75 Cb -0.15 -3.60 -0.04 0.00 0.00 0.00 0.00 34.95 31.16 1sgo s ARG 75 CO 0.10 -0.12 0.03 0.71 0.00 0.00 0.00 175.30 176.02 1sgo s TYR 76 N 1.58 3.05 -0.29 -0.53 2.02 0.58 -1.36 117.35 122.40 1sgo s TYR 76 Ca 0.12 0.00 -0.06 0.00 -0.37 0.00 0.00 57.07 56.76 1sgo s TYR 76 Cb -0.15 -1.56 0.01 0.00 -0.40 0.00 0.00 41.96 39.86 1sgo s TYR 76 CO 0.08 0.49 0.07 0.00 -1.57 0.00 0.00 175.55 174.63 1sgo s LEU 78 N 1.50 3.98 -0.63 0.00 1.43 0.54 -0.37 118.68 125.12 1sgo s LEU 78 Ca 0.03 0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 53.10 1sgo s LEU 78 Cb -0.17 -2.01 0.10 0.00 0.03 0.00 0.00 46.19 44.15 1sgo s LEU 78 CO 0.02 0.20 0.76 -0.70 0.23 0.00 0.00 176.35 176.86 1sgo s GLU 79 N 0.22 3.10 -0.33 1.70 2.12 0.77 -0.30 118.70 125.97 1sgo s GLU 79 Ca 0.06 -1.31 -0.22 0.00 0.36 0.00 0.00 54.97 53.86 1sgo s GLU 79 Cb -0.12 -4.30 0.00 0.00 0.26 0.00 0.00 34.13 29.97 1sgo s GLU 79 CO -0.00 -1.59 0.70 -1.17 -0.54 0.00 0.00 175.26 172.66 1sgo s LEU 80 N 2.80 4.16 0.00 2.70 2.96 0.06 -1.96 118.68 129.39 1sgo s LEU 80 Ca 0.14 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.44 1sgo s LEU 80 Cb -0.22 -2.91 -0.00 0.00 0.50 0.00 0.00 46.19 43.56 1sgo s LEU 80 CO 0.05 -0.59 0.01 0.35 -1.32 0.00 0.00 176.35 174.85 1sgo n THR 81 N 5.56 0.00 1.62 3.68 -2.24 -0.03 -0.60 114.28 122.28 1sgo n THR 81 Ca 0.01 -0.11 0.15 0.00 -2.27 0.00 0.00 64.05 61.83 1sgo n THR 81 Cb 0.48 0.04 0.81 0.00 -2.10 0.00 0.00 70.33 69.57 1sgo n THR 81 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1sgo n GLU 82 N -0.04 0.68 0.00 -0.78 0.28 -1.25 -2.25 120.64 117.28 1sgo n GLU 82 Ca -0.00 0.01 0.12 0.00 -0.16 0.00 0.00 57.16 57.12 1sgo n GLU 82 Cb 0.03 -1.50 0.14 0.00 1.43 0.00 0.00 31.44 31.53 1sgo n GLU 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sgo n ALA 83 N -1.14 3.64 0.00 -1.84 0.00 -1.26 -5.07 120.51 114.83 1sgo n ALA 83 Ca 0.18 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1sgo n ALA 83 Cb 0.17 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 1.42 0.21 3.66 0.00 0.00 -0.95 -4.62 105.19 104.91 1sgo n GLY 84 Ca 0.09 -2.18 -0.35 0.00 0.00 0.00 0.00 46.02 43.58 1sgo n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sgo s LEU 85 N 0.00 3.70 -0.10 0.99 1.02 0.86 -0.85 118.68 124.30 1sgo s LEU 85 Ca 0.00 0.12 -0.03 0.00 0.02 0.00 0.00 54.13 54.24 1sgo s LEU 85 Cb 0.00 -1.89 0.04 0.00 0.02 0.00 0.00 46.19 44.36 1sgo s LEU 85 CO 0.00 0.28 0.08 -0.75 0.02 0.00 0.00 176.35 175.99 1sgo s LYS 86 N -0.31 -0.01 -0.15 1.70 2.20 -0.83 -2.18 119.74 120.16 1sgo s LYS 86 Ca 0.07 0.21 -0.29 0.00 -0.36 0.00 0.00 55.97 55.60 1sgo s LYS 86 Cb -0.12 -1.02 -0.03 0.00 -1.51 0.00 0.00 37.83 35.16 1sgo s LYS 86 CO 0.02 -0.47 1.43 0.54 -0.36 0.00 0.00 175.35 176.51 1sgo s VAL 87 N 2.17 3.99 -0.71 4.02 0.11 -1.26 -0.17 120.40 128.55 1sgo s VAL 87 Ca 0.04 1.17 0.07 0.00 -2.93 0.00 0.00 61.98 60.34 1sgo s VAL 87 Cb -0.14 -3.82 0.17 0.00 -1.53 0.00 0.00 36.38 31.07 1sgo s VAL 87 CO -0.06 -0.17 1.07 1.33 -3.33 0.00 0.00 175.10 173.94 1sgo n VAL 88 N 5.63 0.75 -3.60 2.04 0.24 0.50 -4.43 118.33 119.46 1sgo n VAL 88 Ca 0.16 -0.88 -0.05 0.00 -2.04 0.00 0.00 64.34 61.53 1sgo n VAL 88 Cb 0.44 0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 33.45 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 -0.91 -0.21 -0.29 7.63 0.00 -1.17 0.32 107.32 112.69 1sgo s GLY 89 Ca 0.14 1.92 0.10 0.00 0.00 0.00 0.00 44.72 46.88 1sgo s GLY 89 CO 0.10 0.73 1.17 1.58 0.00 0.00 0.00 173.10 176.69 1sgo n TYR 90 N 0.17 2.45 -4.16 1.90 0.18 -1.26 -0.62 117.16 115.82 1sgo n TYR 90 Ca -0.02 -2.23 -0.11 0.00 1.88 0.00 0.00 57.90 57.42 1sgo n TYR 90 Cb 0.58 -0.31 -0.04 0.00 -0.38 0.00 0.00 39.34 39.19 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 -0.68 0.41 -2.50 -3.48 0.00 -0.46 -4.57 120.51 109.23 1sgo n ALA 91 Ca 0.36 -1.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.26 1sgo n ALA 91 Cb 0.92 0.90 -0.08 0.00 0.00 0.00 0.00 19.45 21.19 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 -2.77 3.16 -0.88 0.00 5.36 -1.26 -4.07 117.98 117.52 1sgo s PHE 92 Ca 0.23 -0.26 -0.02 0.00 -0.96 0.00 0.00 56.93 55.92 1sgo s PHE 92 Cb 0.01 -2.93 -0.03 0.00 -0.34 0.00 0.00 43.02 39.73 1sgo s PHE 92 CO 0.16 -0.69 0.75 -0.25 -1.46 0.00 0.00 175.22 173.73 1sgo n ASP 93 N 5.68 -3.77 -3.50 6.13 9.92 -1.26 -5.03 116.55 124.71 1sgo n ASP 93 Ca -0.07 -0.52 -0.23 0.00 -0.53 0.00 0.00 54.79 53.45 1sgo n ASP 93 Cb 0.48 -4.14 -0.13 0.00 -0.64 0.00 0.00 41.12 36.68 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 -4.59 0.21 -0.31 -1.24 0.74 -1.26 -5.07 119.66 108.14 1sgo s GLN 94 Ca 0.17 -0.21 -0.12 0.00 0.05 0.00 0.00 55.36 55.25 1sgo s GLN 94 Cb -0.02 -1.13 -0.03 0.00 1.10 0.00 0.00 33.01 32.92 1sgo s GLN 94 CO 0.57 -0.90 0.23 0.08 -0.55 0.00 0.00 175.29 174.72 1sgo s VAL 95 N 2.22 5.29 0.01 1.34 1.01 -1.26 -3.96 120.40 125.06 1sgo s VAL 95 Ca 0.08 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1sgo s VAL 95 Cb -0.15 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1sgo s VAL 95 CO -0.27 0.13 -0.10 -0.62 0.00 0.00 0.00 175.10 174.24 1sgo s ASP 96 N 1.74 4.40 0.53 3.32 2.15 0.15 -4.99 116.67 123.96 1sgo s ASP 96 Ca 0.07 -0.22 0.32 0.00 0.43 0.00 0.00 52.55 53.15 1sgo s ASP 96 Cb -0.17 -0.95 1.29 0.00 -0.30 0.00 0.00 42.92 42.79 1sgo s ASP 96 CO 0.11 0.27 1.96 -0.78 -0.17 0.00 0.00 175.17 176.56 1sgo h ASP 97 N 4.52 0.00 0.67 -0.34 3.58 -1.98 -2.99 116.42 119.87 1sgo h ASP 97 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 1sgo h ASP 97 Cb 1.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.21 1sgo h ASP 97 CO 0.52 0.05 -0.15 1.57 -2.88 0.00 0.00 179.24 178.35 1sgo n HIS 98 N -3.18 0.00 -3.14 0.28 -0.00 -1.26 -4.47 115.22 103.45 1sgo n HIS 98 Ca 0.00 0.00 -0.45 0.00 0.46 0.00 0.00 57.72 57.73 1sgo n HIS 98 Cb 0.33 -0.33 -0.02 0.00 -0.12 0.00 0.00 29.99 29.84 1sgo n HIS 98 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1sgo s LEU 99 N -2.82 5.94 -0.83 0.27 1.02 -1.13 -4.90 118.68 116.23 1sgo s LEU 99 Ca 0.19 -2.33 0.01 0.00 0.02 0.00 0.00 54.13 52.01 1sgo s LEU 99 Cb 0.19 -2.30 0.24 0.00 0.02 0.00 0.00 46.19 44.34 1sgo s LEU 99 CO 0.55 -0.82 0.84 0.00 0.02 0.00 0.00 176.35 176.94 1sgo n GLN 100 N 5.23 2.78 -2.86 1.70 10.64 -1.26 -4.67 117.38 128.94 1sgo n GLN 100 Ca 0.17 -4.55 -0.26 0.00 -1.83 0.00 0.00 57.00 50.53 1sgo n GLN 100 Cb 0.48 -2.37 -0.00 0.00 -0.86 0.00 0.00 30.24 27.49 1sgo n GLN 100 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1sgo s THR 101 N -1.91 4.80 0.07 -0.39 -4.23 -1.26 -5.02 115.64 107.70 1sgo s THR 101 Ca 0.31 -0.06 -0.31 0.00 -1.18 0.00 0.00 61.69 60.45 1sgo s THR 101 Cb 0.01 -3.81 -0.09 0.00 1.34 0.00 0.00 72.50 69.96 1sgo s THR 101 CO -0.07 -0.70 1.73 -2.16 -0.54 0.00 0.00 174.62 172.88 1sgo s PRO 102 N -4.62 4.17 0.09 3.99 0.04 -1.26 -4.89 135.00 132.52 1sgo s PRO 102 Ca 0.46 2.42 -0.31 0.00 0.04 0.00 0.00 61.00 63.61 1sgo s PRO 102 Cb -0.10 -3.68 -0.07 0.00 0.04 0.00 0.00 34.50 30.70 1sgo s PRO 102 CO 0.42 -0.79 1.27 0.71 0.04 0.00 0.00 177.00 178.64 1sgo s TYR 103 N 2.93 3.37 0.03 0.56 2.02 -1.26 -4.86 117.35 120.14 1sgo s TYR 103 Ca 0.77 1.18 0.07 0.00 -0.37 0.00 0.00 57.07 58.72 1sgo s TYR 103 Cb -0.41 -3.52 -0.03 0.00 -0.40 0.00 0.00 41.96 37.60 1sgo s TYR 103 CO 0.34 -1.67 -0.19 -1.01 -1.57 0.00 0.00 175.55 171.45 1sgo s HIS 104 N 1.01 2.54 0.01 2.71 3.76 -0.93 -4.94 115.29 119.45 1sgo s HIS 104 Ca 0.60 -0.27 -0.20 0.00 -0.15 0.00 0.00 55.06 55.05 1sgo s HIS 104 Cb -0.32 -1.47 -0.21 0.00 1.11 0.00 0.00 32.58 31.69 1sgo s HIS 104 CO 0.30 0.23 1.15 0.93 -0.85 0.00 0.00 174.74 176.50 1sgo h GLU 105 N 4.64 0.42 -5.89 1.40 5.08 -1.88 0.24 114.58 118.60 1sgo h GLU 105 Ca -0.47 -0.39 -0.67 0.00 -1.00 0.00 0.00 59.36 56.82 1sgo h GLU 105 Cb 1.15 0.10 -0.16 0.00 0.50 0.00 0.00 28.75 30.34 1sgo h GLU 105 CO 0.47 1.05 -0.62 0.95 -1.00 0.00 0.00 179.01 179.86 1sgo s THR 106 N -3.43 4.28 0.52 1.13 -4.23 -1.26 -4.49 115.64 108.16 1sgo s THR 106 Ca -0.13 -0.25 0.26 0.00 -1.18 0.00 0.00 61.69 60.39 1sgo s THR 106 Cb 0.04 -2.81 0.31 0.00 1.34 0.00 0.00 72.50 71.38 1sgo s THR 106 CO 0.81 0.59 2.17 1.62 -0.54 0.00 0.00 174.62 179.27 1sgo h VAL 107 N 4.27 0.64 0.80 2.29 3.04 -1.99 -2.74 116.25 122.57 1sgo h VAL 107 Ca -0.49 -0.21 -0.04 0.00 -1.01 0.00 0.00 66.70 64.96 1sgo h VAL 107 Cb 1.19 1.13 0.01 0.00 -2.01 0.00 0.00 31.29 31.60 1sgo h VAL 107 CO 0.56 0.05 -0.39 1.88 -1.01 0.00 0.00 177.57 178.65 1sgo h TYR 108 N 0.00 -1.03 0.00 3.17 -1.99 -1.99 0.18 116.97 115.31 1sgo h TYR 108 Ca -0.00 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1sgo h TYR 108 Cb 0.12 0.34 0.00 0.00 2.00 0.00 0.00 36.73 39.20 1sgo h TYR 108 CO 0.00 -0.63 0.00 0.43 -0.00 0.00 0.00 178.16 177.96 1sgo n SER 109 N -5.56 0.00 -0.11 3.88 7.64 -1.12 -2.02 113.62 116.32 1sgo n SER 109 Ca -0.15 -0.24 -0.20 0.00 1.01 0.00 0.00 58.87 59.29 1sgo n SER 109 Cb 0.44 -0.19 -0.08 0.00 -1.01 0.00 0.00 64.21 63.37 1sgo n SER 109 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1sgo n LEU 110 N -1.19 1.91 0.27 -3.43 7.94 -0.98 -4.21 117.00 117.30 1sgo n LEU 110 Ca 0.12 0.40 0.16 0.00 -1.11 0.00 0.00 56.01 55.59 1sgo n LEU 110 Cb 0.14 -0.85 0.66 0.00 0.53 0.00 0.00 43.42 43.90 1sgo n LEU 110 CO 0.15 0.16 0.96 0.25 -1.11 0.00 0.00 177.39 177.81 1sgo h LEU 111 N -1.00 0.00 -0.33 -1.96 5.85 -0.63 -1.70 115.31 115.54 1sgo h LEU 111 Ca -0.36 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.29 1sgo h LEU 111 Cb 1.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1sgo h LEU 111 CO -0.22 0.05 -0.33 -0.78 -0.34 0.00 0.00 178.44 176.82 1sgo h ASP 112 N 0.00 0.00 1.21 1.25 3.58 -1.60 0.58 116.42 121.43 1sgo h ASP 112 Ca -0.00 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 1sgo h ASP 112 Cb 0.54 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 1sgo h ASP 112 CO 0.01 0.33 -0.77 0.74 -2.88 0.00 0.00 179.24 176.67 1sgo h THR 113 N 0.00 1.33 0.00 2.25 2.02 -1.50 -3.39 112.91 113.63 1sgo h THR 113 Ca -0.00 -2.87 -0.06 0.00 0.77 0.00 0.00 66.41 64.25 1sgo h THR 113 Cb 1.13 2.65 -0.01 0.00 -1.74 0.00 0.00 68.15 70.18 1sgo h THR 113 CO 0.04 0.76 -0.39 -0.07 0.37 0.00 0.00 175.52 176.23 1sgo h LEU 114 N 0.00 0.00 -7.89 2.58 3.38 -0.80 -3.45 115.31 109.13 1sgo h LEU 114 Ca -0.01 -0.55 -0.63 0.00 0.09 0.00 0.00 57.88 56.78 1sgo h LEU 114 Cb 1.59 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.97 1sgo h LEU 114 CO 0.10 1.00 -0.83 -0.55 0.09 0.00 0.00 178.44 178.25 1sgo s SER 115 N -6.19 3.27 0.65 -0.43 0.15 0.12 -4.98 113.70 106.29 1sgo s SER 115 Ca -0.17 -0.79 0.39 0.00 0.70 0.00 0.00 55.95 56.08 1sgo s SER 115 Cb 0.01 -1.32 2.19 0.00 -1.71 0.00 0.00 66.02 65.19 1sgo s SER 115 CO 0.47 -0.09 2.30 -0.65 1.20 0.00 0.00 173.24 176.46 1sgo h PRO 116 N 7.96 0.00 0.00 5.44 0.11 -1.84 -1.34 132.00 142.33 1sgo h PRO 116 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1sgo h PRO 116 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1sgo h PRO 116 CO 0.53 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.32 1sgo n ALA 117 N -2.13 1.59 -0.30 -0.75 0.00 -1.26 -2.44 120.51 115.22 1sgo n ALA 117 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 1sgo n ALA 117 Cb 0.12 -1.25 0.12 0.00 0.00 0.00 0.00 19.45 18.44 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 0.95 -0.16 0.00 3.20 -1.47 -1.76 116.97 117.74 1sgo h TYR 118 Ca 0.00 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 1sgo h TYR 118 Cb 0.24 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1sgo h TYR 118 CO 0.00 0.51 -0.17 0.00 -1.64 0.00 0.00 178.16 176.86 1sgo h ARG 119 N 0.96 0.27 -0.32 1.82 3.08 -1.71 -0.49 114.38 117.99 1sgo h ARG 119 Ca 0.35 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.25 1sgo h ARG 119 Cb 0.11 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1sgo h ARG 119 CO -0.15 0.43 -0.09 1.49 -1.07 0.00 0.00 179.97 180.58 1sgo h GLU 120 N 0.25 0.63 -0.48 0.04 4.81 -1.50 -0.81 114.58 117.53 1sgo h GLU 120 Ca 0.05 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 58.97 1sgo h GLU 120 Cb 0.44 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1sgo h GLU 120 CO 0.03 0.82 0.07 0.00 -0.73 0.00 0.00 179.01 179.19 1sgo h ALA 121 N 0.79 1.22 -0.14 2.92 0.00 -0.97 -0.28 119.26 122.80 1sgo h ALA 121 Ca 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1sgo h ALA 121 Cb 0.60 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1sgo h ALA 121 CO 0.03 0.53 0.06 0.35 0.00 0.00 0.00 179.25 180.22 1sgo h PHE 122 N 0.72 0.21 -0.33 0.00 3.57 -0.85 -2.33 116.94 117.94 1sgo h PHE 122 Ca 0.15 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1sgo h PHE 122 Cb 0.34 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1sgo h PHE 122 CO 0.02 0.28 0.03 0.78 -2.23 0.00 0.00 178.31 177.18 1sgo h GLY 123 N 0.09 0.53 1.24 2.40 0.00 -0.86 -2.22 103.07 104.26 1sgo h GLY 123 Ca 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1sgo h GLY 123 CO -0.00 0.28 0.39 -0.57 0.00 0.00 0.00 176.54 176.63 1sgo h ASN 124 N 0.48 0.89 -0.02 0.19 -0.73 -0.73 0.19 115.58 115.85 1sgo h ASN 124 Ca 0.11 -0.07 -0.18 0.00 1.87 0.00 0.00 56.30 58.03 1sgo h ASN 124 Cb 0.27 -0.22 0.01 0.00 0.27 0.00 0.00 38.32 38.65 1sgo h ASN 124 CO 0.00 0.72 -0.70 0.00 -0.37 0.00 0.00 177.43 177.08 1sgo h ALA 125 N 1.43 0.11 0.00 1.57 0.00 -0.95 -0.27 119.26 121.15 1sgo h ALA 125 Ca 0.25 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1sgo h ALA 125 Cb 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1sgo h ALA 125 CO -0.04 0.44 -0.19 -0.07 0.00 0.00 0.00 179.25 179.39 1sgo h LEU 126 N 0.06 0.00 0.17 0.00 4.07 -1.26 0.24 115.31 118.60 1sgo h LEU 126 Ca -0.08 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 1sgo h LEU 126 Cb 1.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.12 1sgo h LEU 126 CO 0.14 0.19 -0.08 0.25 -1.08 0.00 0.00 178.44 177.86 1sgo h LEU 127 N 0.00 -0.20 -1.13 1.67 7.12 -0.46 -2.98 115.31 119.34 1sgo h LEU 127 Ca -0.00 -0.23 0.03 0.00 0.13 0.00 0.00 57.88 57.80 1sgo h LEU 127 Cb 0.41 0.05 -0.05 0.00 -0.53 0.00 0.00 40.66 40.54 1sgo h LEU 127 CO 0.02 0.14 0.59 1.56 -0.13 0.00 0.00 178.44 180.62 1sgo h GLN 128 N -0.55 1.11 0.00 1.25 1.08 -0.45 -1.31 115.11 116.25 1sgo h GLN 128 Ca -0.02 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1sgo h GLN 128 Cb 0.42 -0.25 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1sgo h GLN 128 CO 0.04 0.74 -0.01 -0.09 -0.95 0.00 0.00 178.83 178.55 1sgo h ARG 129 N 1.15 0.00 0.21 1.46 2.43 -0.97 -2.12 114.38 116.53 1sgo h ARG 129 Ca 0.35 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 1sgo h ARG 129 Cb -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1sgo h ARG 129 CO -0.10 0.01 -0.10 1.25 -1.51 0.00 0.00 179.97 179.52 1sgo h LEU 130 N 0.00 -0.24 -0.10 3.80 5.85 -1.07 -0.58 115.31 122.97 1sgo h LEU 130 Ca -0.00 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1sgo h LEU 130 Cb 0.33 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1sgo h LEU 130 CO 0.00 0.10 -0.01 -0.33 -0.34 0.00 0.00 178.44 177.86 1sgo h GLU 131 N -0.60 0.00 -0.32 1.25 5.08 -1.62 -2.88 114.58 115.49 1sgo h GLU 131 Ca -0.03 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1sgo h GLU 131 Cb 0.44 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1sgo h GLU 131 CO 0.05 0.01 -0.18 0.00 -1.00 0.00 0.00 179.01 177.88 1sgo h ALA 132 N 1.99 1.09 0.00 3.43 0.00 -1.29 -1.50 119.26 122.98 1sgo h ALA 132 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1sgo h ALA 132 Cb 0.97 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1sgo h ALA 132 CO 0.00 0.56 -0.10 1.25 0.00 0.00 0.00 179.25 180.96 1sgo h LEU 133 N 0.52 0.00 0.00 0.00 6.46 -0.88 0.67 115.31 122.08 1sgo h LEU 133 Ca 0.08 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1sgo h LEU 133 Cb 0.61 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 1sgo h LEU 133 CO 0.04 0.10 -0.53 0.11 -0.62 0.00 0.00 178.44 177.55 1sgo h LYS 134 N 0.00 0.00 0.00 1.25 1.57 -1.29 -3.40 116.57 114.71 1sgo h LYS 134 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1sgo h LYS 134 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1sgo h LYS 134 CO 0.01 0.00 -1.09 0.54 -0.57 0.00 0.00 179.45 178.35 1sgo n ARG 135 N -2.49 0.52 -2.02 3.15 3.00 -0.63 -4.50 116.66 113.68 1sgo n ARG 135 Ca 0.03 0.34 -0.41 0.00 -0.01 0.00 0.00 57.85 57.79 1sgo n ARG 135 Cb 0.49 -1.54 -0.03 0.00 0.00 0.00 0.00 32.46 31.38 1sgo n ARG 135 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1sgo s ASP 136 N -6.14 5.65 0.00 0.55 2.15 0.15 -1.73 116.67 117.29 1sgo s ASP 136 Ca -0.26 0.93 0.00 0.00 0.43 0.00 0.00 52.55 53.65 1sgo s ASP 136 Cb 0.05 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1sgo s ASP 136 CO 0.39 -1.97 0.00 0.61 -0.17 0.00 0.00 175.17 174.03 1sgo n GLY 137 N 5.52 3.37 0.17 2.66 0.00 -1.26 -4.86 105.19 110.79 1sgo n GLY 137 Ca 0.22 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 1sgo n GLY 137 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1sgo h GLN 138 N 0.00 0.45 0.00 1.61 7.50 -1.75 -3.54 115.11 119.39 1sgo h GLN 138 Ca 0.00 -0.46 0.00 0.00 0.50 0.00 0.00 58.65 58.69 1sgo h GLN 138 Cb 0.00 0.12 0.00 0.00 0.05 0.00 0.00 27.48 27.65 1sgo h GLN 138 CO 0.00 1.10 0.00 0.45 -1.50 0.00 0.00 178.83 178.88