#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgo h GLU 2 N 0.00 0.00 -0.66 0.03 5.08 -2.09 -3.19 114.58 113.75 1sgo h GLU 2 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1sgo h GLU 2 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1sgo h GLU 2 CO 0.00 0.00 0.19 1.15 -1.00 0.00 0.00 179.01 179.35 1sgo h THR 3 N 0.00 1.25 -3.47 1.13 2.02 -2.12 -3.32 112.91 108.40 1sgo h THR 3 Ca 0.00 -0.90 -0.80 0.00 0.77 0.00 0.00 66.41 65.48 1sgo h THR 3 Cb 0.66 0.58 -0.28 0.00 -1.74 0.00 0.00 68.15 67.38 1sgo h THR 3 CO 0.00 0.35 0.51 -0.90 0.37 0.00 0.00 175.52 175.85 1sgo n ASP 4 N -4.32 5.57 -4.93 4.18 5.75 -1.21 -5.02 116.55 116.58 1sgo n ASP 4 Ca 0.04 -3.06 -0.20 0.00 -0.01 0.00 0.00 54.79 51.56 1sgo n ASP 4 Cb 0.23 -1.38 0.06 0.00 -1.03 0.00 0.00 41.12 39.00 1sgo n ASP 4 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sgo n ASN 6 N -2.33 3.83 -1.28 0.00 0.23 -1.26 -5.00 115.26 109.45 1sgo n ASN 6 Ca 0.13 1.05 0.00 0.00 -0.53 0.00 0.00 54.58 55.22 1sgo n ASN 6 Cb 0.60 -1.54 0.00 0.00 -2.08 0.00 0.00 39.78 36.77 1sgo n ASN 6 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1sgo n PRO 7 N 4.29 2.41 0.00 -0.53 -0.04 -1.26 -5.14 135.00 134.74 1sgo n PRO 7 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1sgo n PRO 7 Cb 0.34 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 1sgo n PRO 7 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1sgo n MET 8 N 0.00 3.83 -0.32 0.54 2.81 -1.26 -4.97 117.12 117.74 1sgo n MET 8 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.94 1sgo n MET 8 Cb 0.00 0.00 0.20 0.00 -0.71 0.00 0.00 33.22 32.71 1sgo n MET 8 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1sgo h GLU 9 N 0.00 0.86 0.00 0.03 5.08 -2.03 -3.45 114.58 115.07 1sgo h GLU 9 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1sgo h GLU 9 Cb 0.00 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1sgo h GLU 9 CO 0.00 0.57 0.00 -0.11 -1.00 0.00 0.00 179.01 178.47 1sgo n LEU 10 N -4.68 0.00 -0.14 1.33 7.94 -1.26 -4.58 117.00 115.60 1sgo n LEU 10 Ca 0.16 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 55.09 1sgo n LEU 10 Cb 0.31 0.00 0.33 0.00 0.53 0.00 0.00 43.42 44.59 1sgo n LEU 10 CO 0.27 0.00 1.21 -1.28 -1.11 0.00 0.00 177.39 176.48 1sgo h SER 11 N 0.00 0.68 -2.96 1.96 0.87 -1.91 -3.48 113.55 108.71 1sgo h SER 11 Ca 0.00 -0.01 0.15 0.00 -1.23 0.00 0.00 61.79 60.70 1sgo h SER 11 Cb 0.00 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 61.76 1sgo h SER 11 CO 0.00 0.48 -0.20 -1.20 -0.53 0.00 0.00 176.83 175.37 1sgo n SER 12 N -4.46 -4.84 -4.66 6.23 7.64 -1.26 -3.32 113.62 108.95 1sgo n SER 12 Ca 0.08 0.60 -0.42 0.00 1.01 0.00 0.00 58.87 60.13 1sgo n SER 12 Cb 0.11 -1.69 -0.03 0.00 -1.01 0.00 0.00 64.21 61.59 1sgo n SER 12 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1sgo s MET 13 N -1.07 4.16 -1.71 1.43 -1.94 -1.26 -3.03 119.30 115.88 1sgo s MET 13 Ca 0.00 2.02 0.00 0.00 -1.71 0.00 0.00 55.69 56.00 1sgo s MET 13 Cb 0.00 -3.94 0.00 0.00 2.01 0.00 0.00 34.83 32.90 1sgo s MET 13 CO 0.00 -0.85 0.00 0.43 -0.01 0.00 0.00 175.02 174.59 1sgo n SER 14 N 7.11 -5.50 -3.53 3.03 7.64 -1.26 -4.87 113.62 116.24 1sgo n SER 14 Ca 0.17 0.07 -0.40 0.00 1.01 0.00 0.00 58.87 59.71 1sgo n SER 14 Cb 0.43 -4.57 -0.02 0.00 -1.01 0.00 0.00 64.21 59.05 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 -0.95 4.13 0.04 0.23 0.00 -1.17 -4.52 105.19 102.96 1sgo n GLY 15 Ca -0.22 -1.49 -0.01 0.00 0.00 0.00 0.00 46.02 44.30 1sgo n GLY 15 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1sgo h PHE 16 N 5.79 0.00 -3.52 1.61 0.04 -1.81 -3.40 116.94 115.65 1sgo h PHE 16 Ca 0.67 0.00 -0.70 0.00 2.80 0.00 0.00 57.97 60.74 1sgo h PHE 16 Cb 0.48 0.00 -0.33 0.00 2.20 0.00 0.00 35.95 38.29 1sgo h PHE 16 CO 1.64 0.00 -0.56 -1.21 -0.60 0.00 0.00 178.31 177.58 1sgo s GLU 17 N -1.54 2.14 -1.74 1.51 2.02 -1.26 -4.55 118.70 115.27 1sgo s GLU 17 Ca -0.03 -1.70 0.00 0.00 0.02 0.00 0.00 54.97 53.25 1sgo s GLU 17 Cb 0.00 -3.56 0.00 0.00 0.10 0.00 0.00 34.13 30.68 1sgo s GLU 17 CO 0.05 -1.00 0.00 0.39 0.02 0.00 0.00 175.26 174.72 1sgo n GLU 18 N 4.64 -1.57 0.00 1.61 4.71 -1.26 -4.14 120.64 124.64 1sgo n GLU 18 Ca -0.05 1.08 0.00 0.00 -0.01 0.00 0.00 57.16 58.18 1sgo n GLU 18 Cb 0.42 -5.48 0.00 0.00 -1.01 0.00 0.00 31.44 25.36 1sgo n GLU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sgo n GLY 19 N -0.11 0.94 2.53 0.62 0.00 -1.26 -4.75 105.19 103.17 1sgo n GLY 19 Ca -0.16 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.62 1sgo n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sgo s SER 20 N -4.00 2.83 -0.07 1.61 0.01 -1.26 -2.75 113.70 110.08 1sgo s SER 20 Ca 0.00 -1.79 0.18 0.00 1.31 0.00 0.00 55.95 55.65 1sgo s SER 20 Cb 0.00 -0.22 0.62 0.00 0.21 0.00 0.00 66.02 66.64 1sgo s SER 20 CO 0.00 -0.34 1.52 -0.62 0.41 0.00 0.00 173.24 174.20 1sgo n GLU 21 N 4.47 3.12 -3.71 12.44 -0.58 -1.26 -4.79 120.64 130.34 1sgo n GLU 21 Ca 0.06 -2.48 -0.22 0.00 -0.42 0.00 0.00 57.16 54.10 1sgo n GLU 21 Cb 0.40 -1.72 -0.18 0.00 -0.57 0.00 0.00 31.44 29.37 1sgo n GLU 21 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1sgo s LEU 22 N -1.45 0.35 0.06 -4.62 2.96 -1.26 -5.14 118.68 109.57 1sgo s LEU 22 Ca 0.45 -0.03 0.08 0.00 -0.22 0.00 0.00 54.13 54.42 1sgo s LEU 22 Cb 0.27 -0.28 -0.03 0.00 0.50 0.00 0.00 46.19 46.65 1sgo s LEU 22 CO 0.25 -0.23 -0.22 0.54 -1.32 0.00 0.00 176.35 175.37 1sgo s ASN 23 N 2.08 3.56 -0.93 3.68 2.20 -1.26 -5.05 114.94 119.22 1sgo s ASN 23 Ca 0.05 -0.53 -0.01 0.00 -0.94 0.00 0.00 52.86 51.43 1sgo s ASN 23 Cb -0.12 -0.46 0.33 0.00 -2.00 0.00 0.00 41.25 39.00 1sgo s ASN 23 CO -0.04 0.24 1.82 0.61 -2.94 0.00 0.00 177.10 176.79 1sgo n GLY 24 N 1.47 5.93 0.65 0.45 0.00 -1.26 -4.55 105.19 107.87 1sgo n GLY 24 Ca -0.17 -2.57 0.08 0.00 0.00 0.00 0.00 46.02 43.36 1sgo n GLY 24 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sgo n PHE 25 N -0.23 0.63 -3.00 1.61 3.72 -1.26 -4.98 117.46 113.95 1sgo n PHE 25 Ca 0.48 -1.01 -0.42 0.00 -0.05 0.00 0.00 57.45 56.45 1sgo n PHE 25 Cb 0.27 -0.28 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 1sgo n PHE 25 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1sgo s GLU 26 N -2.90 3.83 0.00 -1.08 0.41 -1.26 -4.54 118.70 113.15 1sgo s GLU 26 Ca 0.39 0.35 0.00 0.00 -0.41 0.00 0.00 54.97 55.31 1sgo s GLU 26 Cb 0.33 -3.77 0.00 0.00 -1.78 0.00 0.00 34.13 28.91 1sgo s GLU 26 CO 0.06 -0.73 0.00 0.41 -0.49 0.00 0.00 175.26 174.50 1sgo n GLY 27 N 4.43 0.76 0.24 -1.39 0.00 -1.26 -5.00 105.19 102.97 1sgo n GLY 27 Ca 0.02 -0.67 0.14 0.00 0.00 0.00 0.00 46.02 45.51 1sgo n GLY 27 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1sgo h THR 28 N 0.00 0.06 -1.91 2.61 2.02 -2.01 -3.41 112.91 110.27 1sgo h THR 28 Ca 0.00 -0.86 -0.50 0.00 0.77 0.00 0.00 66.41 65.82 1sgo h THR 28 Cb 0.00 1.81 -0.05 0.00 -1.74 0.00 0.00 68.15 68.17 1sgo h THR 28 CO 0.00 0.03 1.21 1.51 0.37 0.00 0.00 175.52 178.63 1sgo s ASP 29 N -6.02 5.62 -0.06 4.18 -4.77 -1.26 -4.70 116.67 109.66 1sgo s ASP 29 Ca 0.04 -0.14 0.11 0.00 -3.30 0.00 0.00 52.55 49.26 1sgo s ASP 29 Cb 0.07 -2.54 0.19 0.00 -1.09 0.00 0.00 42.92 39.54 1sgo s ASP 29 CO 0.62 -2.19 1.09 1.15 0.70 0.00 0.00 175.17 176.54 1sgo n MET 30 N 9.20 0.58 -3.25 2.11 0.00 -1.26 -5.00 117.12 119.50 1sgo n MET 30 Ca 0.18 -1.87 0.03 0.00 0.00 0.00 0.00 57.70 56.04 1sgo n MET 30 Cb 0.50 -0.89 -0.02 0.00 0.00 0.00 0.00 33.22 32.82 1sgo n MET 30 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1sgo s LYS 31 N -1.28 0.50 -0.10 3.17 2.20 -1.26 -5.12 119.74 117.85 1sgo s LYS 31 Ca 0.18 0.98 -0.29 0.00 -0.36 0.00 0.00 55.97 56.48 1sgo s LYS 31 Cb 0.17 0.55 -0.06 0.00 -1.51 0.00 0.00 37.83 36.99 1sgo s LYS 31 CO -0.02 -0.46 1.95 -0.51 -0.36 0.00 0.00 175.35 175.95 1sgo s ASP 32 N 2.86 6.15 0.36 1.43 1.11 -1.26 -4.84 116.67 122.48 1sgo s ASP 32 Ca 0.12 2.20 0.09 0.00 0.18 0.00 0.00 52.55 55.14 1sgo s ASP 32 Cb -0.13 -2.52 0.69 0.00 1.07 0.00 0.00 42.92 42.02 1sgo s ASP 32 CO -0.19 -1.36 1.85 -0.03 1.18 0.00 0.00 175.17 176.62 1sgo h MET 33 N 11.88 0.24 -0.06 8.23 4.05 -0.90 -2.03 114.93 136.35 1sgo h MET 33 Ca -0.43 -0.07 -0.15 0.00 -0.28 0.00 0.00 59.70 58.77 1sgo h MET 33 Cb 1.22 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.98 1sgo h MET 33 CO 0.96 0.45 -0.63 -0.09 0.23 0.00 0.00 176.91 177.82 1sgo h ARG 34 N 0.22 0.21 0.47 0.39 1.12 -1.85 -1.45 114.38 113.49 1sgo h ARG 34 Ca 0.04 -0.15 -0.01 0.00 -1.11 0.00 0.00 59.98 58.74 1sgo h ARG 34 Cb 0.51 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.48 1sgo h ARG 34 CO 0.03 0.77 -0.37 1.25 -3.11 0.00 0.00 179.97 178.55 1sgo h LEU 35 N 0.15 -0.96 -1.31 3.80 5.85 -1.76 -0.13 115.31 120.95 1sgo h LEU 35 Ca -0.01 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1sgo h LEU 35 Cb 1.14 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 1sgo h LEU 35 CO 0.10 -0.54 0.04 -0.33 -0.34 0.00 0.00 178.44 177.36 1sgo h GLU 36 N -0.83 0.50 0.16 1.25 4.39 -1.47 -2.01 114.58 116.58 1sgo h GLU 36 Ca -0.05 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1sgo h GLU 36 Cb 0.71 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1sgo h GLU 36 CO -0.00 0.50 -0.08 0.00 -1.16 0.00 0.00 179.01 178.27 1sgo h ALA 37 N 1.56 -0.21 -0.92 3.43 0.00 -0.89 0.17 119.26 122.39 1sgo h ALA 37 Ca 0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sgo h ALA 37 Cb 0.26 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1sgo h ALA 37 CO 0.00 -0.58 0.57 1.49 0.00 0.00 0.00 179.25 180.72 1sgo h GLU 38 N -0.29 1.24 -0.12 0.00 4.22 -0.82 -0.98 114.58 117.83 1sgo h GLU 38 Ca -0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 59.36 59.30 1sgo h GLU 38 Cb 0.22 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1sgo h GLU 38 CO 0.04 0.86 0.02 0.00 -2.18 0.00 0.00 179.01 177.75 1sgo h ALA 39 N 1.31 0.16 -0.85 2.92 0.00 -1.05 -2.95 119.26 118.79 1sgo h ALA 39 Ca 0.33 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1sgo h ALA 39 Cb -0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1sgo h ALA 39 CO -0.06 -0.19 0.56 0.28 0.00 0.00 0.00 179.25 179.84 1sgo h VAL 40 N -0.02 1.21 -0.91 0.00 2.07 -0.41 -1.78 116.25 116.41 1sgo h VAL 40 Ca 0.04 -0.39 0.15 0.00 0.82 0.00 0.00 66.70 67.31 1sgo h VAL 40 Cb 0.28 -0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 29.94 1sgo h VAL 40 CO 0.00 0.21 0.58 0.58 0.02 0.00 0.00 177.57 178.96 1sgo h VAL 41 N 1.14 0.83 0.00 2.57 2.07 -1.06 -0.89 116.25 120.92 1sgo h VAL 41 Ca 0.32 -0.24 -0.20 0.00 0.82 0.00 0.00 66.70 67.39 1sgo h VAL 41 Cb -0.11 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.69 1sgo h VAL 41 CO -0.08 0.13 -0.97 -1.13 0.02 0.00 0.00 177.57 175.55 1sgo h ASN 42 N 0.71 0.00 0.03 0.57 -1.24 -1.19 -3.12 115.58 111.34 1sgo h ASN 42 Ca 0.46 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.42 1sgo h ASN 42 Cb 0.73 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.78 1sgo h ASN 42 CO -0.22 0.94 -0.22 -0.78 -1.29 0.00 0.00 177.43 175.86 1sgo h ASP 43 N 0.00 0.10 -0.44 1.15 3.58 -0.41 -3.36 116.42 117.04 1sgo h ASP 43 Ca -0.02 -0.98 0.00 0.00 0.42 0.00 0.00 57.03 56.45 1sgo h ASP 43 Cb 1.73 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.75 1sgo h ASP 43 CO 0.12 1.10 0.00 1.33 -2.88 0.00 0.00 179.24 178.91 1sgo n VAL 44 N -4.50 0.58 0.26 2.25 0.24 -0.47 -4.26 118.33 112.43 1sgo n VAL 44 Ca -0.12 -0.79 0.10 0.00 -2.04 0.00 0.00 64.34 61.50 1sgo n VAL 44 Cb 0.56 0.92 0.69 0.00 -1.47 0.00 0.00 33.84 34.54 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 4.41 0.00 -2.41 1.34 6.46 -1.70 -1.32 115.31 122.09 1sgo h LEU 45 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1sgo h LEU 45 Cb 0.98 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.91 1sgo h LEU 45 CO 0.00 0.08 0.00 0.15 -0.62 0.00 0.00 178.44 178.05 1sgo h PHE 46 N 0.00 0.00 0.00 1.25 3.57 -1.84 -1.78 116.94 118.14 1sgo h PHE 46 Ca -0.00 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1sgo h PHE 46 Cb 0.17 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1sgo h PHE 46 CO 0.00 0.00 -1.02 0.00 -2.23 0.00 0.00 178.31 175.06 1sgo h ALA 47 N 2.00 0.62 -3.72 2.41 0.00 -1.55 -3.47 119.26 115.56 1sgo h ALA 47 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1sgo h ALA 47 Cb 0.18 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1sgo h ALA 47 CO 0.00 0.44 0.00 1.33 0.00 0.00 0.00 179.25 181.02 1sgo n VAL 48 N -2.86 0.00 -0.11 0.00 0.24 -0.67 -3.87 118.33 111.06 1sgo n VAL 48 Ca -0.03 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.02 1sgo n VAL 48 Cb 0.69 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.94 1sgo n VAL 48 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1sgo n ASN 49 N -1.02 1.92 -3.84 -1.34 5.15 0.31 -4.76 115.26 111.68 1sgo n ASN 49 Ca 0.00 0.36 -0.12 0.00 -0.60 0.00 0.00 54.58 54.22 1sgo n ASN 49 Cb 0.00 -0.89 -0.11 0.00 -0.53 0.00 0.00 39.78 38.25 1sgo n ASN 49 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1sgo s ASN 50 N -7.09 -0.08 -0.12 1.20 2.47 -0.92 -5.01 114.94 105.40 1sgo s ASN 50 Ca -0.32 0.07 -0.04 0.00 0.42 0.00 0.00 52.86 52.99 1sgo s ASN 50 Cb 0.09 0.28 0.06 0.00 -1.45 0.00 0.00 41.25 40.23 1sgo s ASN 50 CO 0.57 -0.22 0.15 -0.04 -3.72 0.00 0.00 177.10 173.84 1sgo s MET 51 N -0.66 0.05 -0.08 0.43 -1.94 -1.26 -0.16 119.30 115.68 1sgo s MET 51 Ca -0.07 0.36 -0.05 0.00 -1.71 0.00 0.00 55.69 54.22 1sgo s MET 51 Cb -0.04 -0.74 0.03 0.00 2.01 0.00 0.00 34.83 36.08 1sgo s MET 51 CO 0.01 -0.44 0.19 0.12 -0.01 0.00 0.00 175.02 174.90 1sgo s PHE 52 N 2.26 -0.23 0.58 -0.03 5.36 -0.32 -5.00 117.98 120.59 1sgo s PHE 52 Ca 0.04 0.59 -0.17 0.00 -0.96 0.00 0.00 56.93 56.43 1sgo s PHE 52 Cb -0.13 0.02 -0.04 0.00 -0.34 0.00 0.00 43.02 42.53 1sgo s PHE 52 CO -0.07 -0.16 1.07 0.14 -1.46 0.00 0.00 175.22 174.74 1sgo s VAL 53 N 0.75 3.69 0.91 3.12 -7.23 -1.26 -0.34 120.40 120.03 1sgo s VAL 53 Ca -0.05 0.86 -0.12 0.00 -1.81 0.00 0.00 61.98 60.86 1sgo s VAL 53 Cb -0.07 -3.36 0.13 0.00 0.56 0.00 0.00 36.38 33.65 1sgo s VAL 53 CO -0.04 -0.41 1.10 -0.44 -0.31 0.00 0.00 175.10 175.00 1sgo s SER 54 N -2.54 3.47 0.00 4.85 0.01 0.55 -4.76 113.70 115.28 1sgo s SER 54 Ca 0.65 1.23 0.00 0.00 1.31 0.00 0.00 55.95 59.14 1sgo s SER 54 Cb -0.17 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.17 1sgo s SER 54 CO 0.33 -2.61 0.00 1.17 0.41 0.00 0.00 173.24 172.55 1sgo n LYS 55 N -3.84 2.80 -0.39 12.44 0.00 -1.26 -4.80 118.16 123.11 1sgo n LYS 55 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 58.31 58.42 1sgo n LYS 55 Cb 0.57 -0.73 0.21 0.00 0.00 0.00 0.00 35.03 35.08 1sgo n LYS 55 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1sgo n SER 56 N -0.85 3.10 0.00 3.14 7.64 -1.26 -4.60 113.62 120.79 1sgo n SER 56 Ca 0.00 -2.32 0.00 0.00 1.01 0.00 0.00 58.87 57.56 1sgo n SER 56 Cb 0.07 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 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 0.49 0.00 -3.62 -3.43 4.32 -1.26 -5.14 117.00 108.37 1sgo n LEU 57 Ca 0.15 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 56.09 1sgo n LEU 57 Cb 0.61 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.37 1sgo n LEU 57 CO 0.15 0.00 1.01 0.00 -1.22 0.00 0.00 177.39 177.32 1sgo s ARG 58 N 1.27 0.27 -0.42 3.23 1.70 -1.26 -5.10 118.95 118.65 1sgo s ARG 58 Ca 0.00 0.06 0.05 0.00 -0.47 0.00 0.00 55.73 55.36 1sgo s ARG 58 Cb 0.00 0.13 0.18 0.00 -0.57 0.00 0.00 34.95 34.69 1sgo s ARG 58 CO 0.00 -0.09 0.39 0.00 -1.08 0.00 0.00 175.30 174.52 1sgo n ALA 60 N 2.68 3.80 -0.44 0.00 0.00 -1.16 -4.86 120.51 120.53 1sgo n ALA 60 Ca 0.28 -1.53 0.00 0.00 0.00 0.00 0.00 53.44 52.19 1sgo n ALA 60 Cb 0.49 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 0.17 0.00 -0.04 0.00 8.00 -1.26 -4.67 116.55 118.74 1sgo n ASP 61 Ca 0.25 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.72 1sgo n ASP 61 Cb 1.03 -0.54 -0.14 0.00 -0.02 0.00 0.00 41.12 41.45 1sgo n ASP 61 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1sgo n ASP 62 N 0.00 0.28 -3.90 -2.24 5.75 -1.26 -0.17 116.55 115.01 1sgo n ASP 62 Ca 0.00 0.12 -0.11 0.00 -0.01 0.00 0.00 54.79 54.80 1sgo n ASP 62 Cb 0.00 0.92 -0.11 0.00 -1.03 0.00 0.00 41.12 40.90 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 -2.82 0.07 -0.13 2.12 0.11 -1.26 -4.73 120.40 113.75 1sgo s VAL 63 Ca -0.07 -0.57 -0.06 0.00 -2.93 0.00 0.00 61.98 58.35 1sgo s VAL 63 Cb 0.08 -0.30 0.06 0.00 -1.53 0.00 0.00 36.38 34.70 1sgo s VAL 63 CO 0.84 -0.31 0.30 0.00 -3.33 0.00 0.00 175.10 172.60 1sgo s ALA 64 N -1.01 -0.71 -0.25 1.54 0.00 -0.96 -2.97 121.76 117.40 1sgo s ALA 64 Ca -0.11 1.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.86 1sgo s ALA 64 Cb -0.06 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 1sgo s ALA 64 CO 0.00 -0.43 0.21 0.71 0.00 0.00 0.00 175.76 176.26 1sgo s TYR 65 N 1.84 3.29 -0.10 0.00 2.02 -1.26 -0.38 117.35 122.76 1sgo s TYR 65 Ca -0.05 0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.92 1sgo s TYR 65 Cb -0.11 -2.35 -0.02 0.00 -0.40 0.00 0.00 41.96 39.08 1sgo s TYR 65 CO -0.10 -0.03 -0.15 0.42 -1.57 0.00 0.00 175.55 174.12 1sgo s ILE 66 N 1.37 2.90 -0.31 2.71 1.01 0.35 -0.33 121.20 128.90 1sgo s ILE 66 Ca 0.09 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 59.90 1sgo s ILE 66 Cb -0.15 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 1sgo s ILE 66 CO 0.07 0.55 0.17 0.20 0.00 0.00 0.00 174.94 175.93 1sgo s ASN 67 N -0.04 5.67 -0.14 3.58 0.02 0.54 -0.24 114.94 124.33 1sgo s ASN 67 Ca -0.04 -0.41 -0.00 0.00 -1.02 0.00 0.00 52.86 51.39 1sgo s ASN 67 Cb -0.14 -2.04 -0.01 0.00 0.02 0.00 0.00 41.25 39.08 1sgo s ASN 67 CO 0.04 -0.17 -0.13 0.54 0.02 0.00 0.00 177.10 177.40 1sgo s VAL 68 N 1.65 3.02 -0.30 1.60 0.11 -0.27 -1.17 120.40 125.04 1sgo s VAL 68 Ca 0.05 -0.67 -0.06 0.00 -2.93 0.00 0.00 61.98 58.37 1sgo s VAL 68 Cb -0.17 -2.27 0.02 0.00 -1.53 0.00 0.00 36.38 32.42 1sgo s VAL 68 CO 0.07 0.52 0.07 -0.70 -3.33 0.00 0.00 175.10 171.73 1sgo s GLU 69 N 0.46 2.99 1.19 1.54 2.12 0.77 -0.32 118.70 127.46 1sgo s GLU 69 Ca -0.09 -0.92 -0.16 0.00 0.36 0.00 0.00 54.97 54.16 1sgo s GLU 69 Cb -0.16 -3.35 0.28 0.00 0.26 0.00 0.00 34.13 31.16 1sgo s GLU 69 CO 0.05 -0.47 1.04 0.95 -0.54 0.00 0.00 175.26 176.28 1sgo s THR 70 N 1.47 1.76 -1.89 -1.70 -4.23 -0.70 -0.53 115.64 109.82 1sgo s THR 70 Ca 0.02 0.00 0.32 0.00 -1.18 0.00 0.00 61.69 60.84 1sgo s THR 70 Cb -0.17 -2.25 0.83 0.00 1.34 0.00 0.00 72.50 72.24 1sgo s THR 70 CO 0.02 0.00 2.19 0.29 -0.54 0.00 0.00 174.62 176.58 1sgo n LYS 71 N -4.88 0.89 -0.23 3.99 5.02 -1.26 -0.73 118.16 120.96 1sgo n LYS 71 Ca 0.07 -0.01 0.10 0.00 -2.02 0.00 0.00 58.31 56.45 1sgo n LYS 71 Cb 0.57 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 34.35 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 -1.04 2.30 -1.28 1.97 1.02 -1.26 -4.92 120.64 117.42 1sgo n GLU 72 Ca 0.22 -2.00 -0.10 0.00 -0.02 0.00 0.00 57.16 55.26 1sgo n GLU 72 Cb 0.14 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.05 1sgo n GLU 72 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1sgo n ARG 73 N 1.16 -1.38 -2.75 3.49 0.63 0.09 -4.95 116.66 112.95 1sgo n ARG 73 Ca 0.19 0.80 -0.43 0.00 -0.92 0.00 0.00 57.85 57.50 1sgo n ARG 73 Cb 0.50 -5.03 -0.03 0.00 0.45 0.00 0.00 32.46 28.35 1sgo n ARG 73 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1sgo s ASN 74 N -2.47 6.62 -0.06 6.15 0.01 -1.26 -4.75 114.94 119.19 1sgo s ASN 74 Ca 0.00 0.43 -0.10 0.00 -0.71 0.00 0.00 52.86 52.48 1sgo s ASN 74 Cb 0.00 -2.48 -0.05 0.00 0.41 0.00 0.00 41.25 39.13 1sgo s ASN 74 CO 0.00 -1.01 0.26 0.00 -1.51 0.00 0.00 177.10 174.84 1sgo s ARG 75 N 3.80 3.64 0.16 -0.60 1.70 -1.26 -1.72 118.95 124.68 1sgo s ARG 75 Ca 0.40 0.09 0.04 0.00 -0.47 0.00 0.00 55.73 55.80 1sgo s ARG 75 Cb -0.10 -3.19 -0.05 0.00 -0.57 0.00 0.00 34.95 31.04 1sgo s ARG 75 CO 0.24 0.73 -0.08 0.71 -1.08 0.00 0.00 175.30 175.82 1sgo s TYR 76 N -1.08 1.33 -0.22 5.89 1.51 0.57 -2.41 117.35 122.94 1sgo s TYR 76 Ca 0.20 -0.79 -0.05 0.00 -1.01 0.00 0.00 57.07 55.42 1sgo s TYR 76 Cb -0.14 -0.70 -0.02 0.00 -0.11 0.00 0.00 41.96 41.00 1sgo s TYR 76 CO 0.09 0.06 -0.01 0.00 -1.11 0.00 0.00 175.55 174.58 1sgo s LEU 78 N 1.30 3.11 -0.49 0.00 1.43 0.67 -0.60 118.68 124.11 1sgo s LEU 78 Ca 0.04 -0.22 -0.19 0.00 -1.03 0.00 0.00 54.13 52.73 1sgo s LEU 78 Cb -0.15 -1.76 0.05 0.00 0.03 0.00 0.00 46.19 44.37 1sgo s LEU 78 CO 0.00 0.11 0.59 -0.70 0.23 0.00 0.00 176.35 176.58 1sgo s GLU 79 N 0.72 3.12 -0.23 1.70 2.12 0.76 -0.49 118.70 126.40 1sgo s GLU 79 Ca -0.02 -0.87 -0.19 0.00 0.36 0.00 0.00 54.97 54.25 1sgo s GLU 79 Cb -0.15 -4.07 -0.03 0.00 0.26 0.00 0.00 34.13 30.14 1sgo s GLU 79 CO 0.02 -1.15 0.56 -1.17 -0.54 0.00 0.00 175.26 172.99 1sgo s LEU 80 N 2.51 4.10 0.00 2.70 2.96 0.48 -0.85 118.68 130.58 1sgo s LEU 80 Ca 0.14 0.66 0.02 0.00 -0.22 0.00 0.00 54.13 54.74 1sgo s LEU 80 Cb -0.19 -2.76 -0.01 0.00 0.50 0.00 0.00 46.19 43.73 1sgo s LEU 80 CO 0.12 -0.27 0.09 0.35 -1.32 0.00 0.00 176.35 175.32 1sgo n THR 81 N 4.91 0.00 0.95 3.68 -2.24 -0.47 -2.27 114.28 118.84 1sgo n THR 81 Ca -0.03 -0.85 0.12 0.00 -2.27 0.00 0.00 64.05 61.02 1sgo n THR 81 Cb 0.50 0.40 0.56 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.25 0.10 0.12 -0.78 0.00 -1.26 -1.83 120.64 116.75 1sgo n GLU 82 Ca 0.02 0.07 0.12 0.00 0.00 0.00 0.00 57.16 57.36 1sgo n GLU 82 Cb 0.21 -1.50 0.15 0.00 0.00 0.00 0.00 31.44 30.31 1sgo n GLU 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1sgo h ALA 83 N 2.95 0.72 0.00 -1.84 0.00 -1.96 -3.50 119.26 115.63 1sgo h ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sgo h ALA 83 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1sgo h ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1sgo n GLY 84 N 1.23 0.77 3.50 0.00 0.00 -0.76 -4.35 105.19 105.58 1sgo n GLY 84 Ca 0.03 -2.08 -0.39 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 4.31 -0.25 0.99 1.02 0.40 -1.36 118.68 123.78 1sgo s LEU 85 Ca 0.00 -0.42 -0.03 0.00 0.02 0.00 0.00 54.13 53.70 1sgo s LEU 85 Cb 0.00 -2.08 0.02 0.00 0.02 0.00 0.00 46.19 44.15 1sgo s LEU 85 CO 0.00 -0.20 -0.03 -0.75 0.02 0.00 0.00 176.35 175.39 1sgo s LYS 86 N 1.68 2.97 0.21 1.70 2.20 -0.03 -1.67 119.74 126.80 1sgo s LYS 86 Ca 0.06 -0.90 -0.31 0.00 -0.36 0.00 0.00 55.97 54.45 1sgo s LYS 86 Cb -0.17 -3.06 -0.11 0.00 -1.51 0.00 0.00 37.83 32.98 1sgo s LYS 86 CO 0.09 -0.38 1.64 0.08 -0.36 0.00 0.00 175.35 176.43 1sgo s VAL 87 N 1.38 2.23 0.00 4.02 1.01 -1.26 -0.17 120.40 127.62 1sgo s VAL 87 Ca 0.02 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1sgo s VAL 87 Cb -0.16 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1sgo s VAL 87 CO -0.03 0.02 0.16 1.33 0.00 0.00 0.00 175.10 176.58 1sgo n VAL 88 N 3.61 0.00 -3.84 2.92 0.24 0.23 -4.50 118.33 116.99 1sgo n VAL 88 Ca 0.14 -0.39 0.04 0.00 -2.04 0.00 0.00 64.34 62.09 1sgo n VAL 88 Cb 0.37 1.09 0.01 0.00 -1.47 0.00 0.00 33.84 33.84 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 -0.45 -0.33 -0.49 7.63 0.00 -1.19 0.18 107.32 112.66 1sgo s GLY 89 Ca 0.00 0.48 0.08 0.00 0.00 0.00 0.00 44.72 45.28 1sgo s GLY 89 CO 0.00 4.15 0.69 1.58 0.00 0.00 0.00 173.10 179.51 1sgo n TYR 90 N -0.78 1.59 -2.27 1.90 0.18 -1.26 -0.29 117.16 116.22 1sgo n TYR 90 Ca -0.00 -3.85 0.00 0.00 1.88 0.00 0.00 57.90 55.93 1sgo n TYR 90 Cb 0.60 -0.45 0.00 0.00 -0.38 0.00 0.00 39.34 39.12 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 0.81 0.00 -3.00 -3.48 0.00 -1.01 -4.80 120.51 109.02 1sgo n ALA 91 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.36 1sgo n ALA 91 Cb 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.82 1sgo n ALA 91 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1sgo s PHE 92 N -1.66 3.04 -1.84 0.00 0.08 -1.26 -4.02 117.98 112.33 1sgo s PHE 92 Ca 0.00 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 56.71 1sgo s PHE 92 Cb 0.00 -2.01 0.00 0.00 -0.57 0.00 0.00 43.02 40.44 1sgo s PHE 92 CO 0.00 -0.10 0.00 -0.25 -0.10 0.00 0.00 175.22 174.77 1sgo n ASP 93 N 3.78 -5.83 -4.29 1.36 8.00 -1.26 -4.95 116.55 113.37 1sgo n ASP 93 Ca -0.17 0.06 -0.42 0.00 0.71 0.00 0.00 54.79 54.97 1sgo n ASP 93 Cb 0.52 -4.89 -0.09 0.00 -0.02 0.00 0.00 41.12 36.64 1sgo n ASP 93 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1sgo s GLN 94 N -4.86 2.69 -0.21 -1.24 2.00 -1.26 -4.98 119.66 111.80 1sgo s GLN 94 Ca 0.00 -1.50 -0.00 0.00 -2.00 0.00 0.00 55.36 51.86 1sgo s GLN 94 Cb 0.00 -3.92 0.02 0.00 0.80 0.00 0.00 33.01 29.91 1sgo s GLN 94 CO 0.00 -1.03 -0.13 0.08 -0.50 0.00 0.00 175.29 173.71 1sgo s VAL 95 N 1.48 2.50 -0.03 1.34 1.01 -1.26 -3.29 120.40 122.15 1sgo s VAL 95 Ca 0.04 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.09 1sgo s VAL 95 Cb -0.24 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 1sgo s VAL 95 CO 0.03 0.36 -0.19 -0.62 0.00 0.00 0.00 175.10 174.68 1sgo s ASP 96 N 1.31 2.30 0.00 3.32 2.15 0.13 -5.00 116.67 120.87 1sgo s ASP 96 Ca 0.02 -0.37 0.29 0.00 0.43 0.00 0.00 52.55 52.92 1sgo s ASP 96 Cb -0.15 -0.45 1.37 0.00 -0.30 0.00 0.00 42.92 43.39 1sgo s ASP 96 CO -0.08 0.20 1.92 0.47 -0.17 0.00 0.00 175.17 177.51 1sgo n ASP 97 N 2.86 0.87 0.04 -0.34 9.92 -1.26 -3.21 116.55 125.43 1sgo n ASP 97 Ca -0.16 -1.32 0.13 0.00 -0.53 0.00 0.00 54.79 52.91 1sgo n ASP 97 Cb 0.53 -0.01 0.44 0.00 -0.64 0.00 0.00 41.12 41.44 1sgo n ASP 97 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1sgo n HIS 98 N -0.31 0.33 -3.15 1.24 8.25 -1.26 -4.67 115.22 115.65 1sgo n HIS 98 Ca 0.21 0.10 -0.42 0.00 -0.26 0.00 0.00 57.72 57.34 1sgo n HIS 98 Cb 0.25 -0.60 -0.07 0.00 1.12 0.00 0.00 29.99 30.69 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 -3.58 4.42 -0.42 2.41 1.02 -1.20 -4.91 118.68 116.43 1sgo s LEU 99 Ca 0.12 -0.16 0.06 0.00 0.02 0.00 0.00 54.13 54.16 1sgo s LEU 99 Cb 0.16 -2.69 0.69 0.00 0.02 0.00 0.00 46.19 44.37 1sgo s LEU 99 CO 0.60 -0.65 1.89 0.00 0.02 0.00 0.00 176.35 178.21 1sgo n GLN 100 N 6.04 2.66 -1.76 1.70 6.02 -1.26 -4.91 117.38 125.87 1sgo n GLN 100 Ca -0.03 -3.04 -0.42 0.00 -0.01 0.00 0.00 57.00 53.50 1sgo n GLN 100 Cb 0.48 -2.19 -0.03 0.00 1.02 0.00 0.00 30.24 29.52 1sgo n GLN 100 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1sgo s THR 101 N -3.22 3.18 0.49 5.09 -4.23 -1.26 -4.94 115.64 110.75 1sgo s THR 101 Ca 0.57 0.22 -0.23 0.00 -1.18 0.00 0.00 61.69 61.06 1sgo s THR 101 Cb 0.47 -3.16 -0.07 0.00 1.34 0.00 0.00 72.50 71.09 1sgo s THR 101 CO 0.12 -0.04 1.31 -2.16 -0.54 0.00 0.00 174.62 173.31 1sgo s PRO 102 N 4.68 3.51 0.38 3.99 0.04 -1.26 -4.15 135.00 142.19 1sgo s PRO 102 Ca 0.86 2.13 -0.22 0.00 0.04 0.00 0.00 61.00 63.81 1sgo s PRO 102 Cb -0.38 -2.43 -0.10 0.00 0.04 0.00 0.00 34.50 31.62 1sgo s PRO 102 CO 0.37 -0.86 0.92 1.52 0.04 0.00 0.00 177.00 178.99 1sgo s TYR 103 N -1.34 3.43 -0.01 0.56 -0.85 -1.26 -4.60 117.35 113.27 1sgo s TYR 103 Ca 0.66 1.61 0.01 0.00 -0.52 0.00 0.00 57.07 58.83 1sgo s TYR 103 Cb -0.37 -2.83 -0.04 0.00 0.38 0.00 0.00 41.96 39.10 1sgo s TYR 103 CO 0.46 0.02 -0.00 -1.01 -1.52 0.00 0.00 175.55 173.49 1sgo s HIS 104 N -1.98 3.08 -1.77 -3.49 3.76 -0.67 -4.84 115.29 109.37 1sgo s HIS 104 Ca 0.57 0.09 0.20 0.00 -0.15 0.00 0.00 55.06 55.77 1sgo s HIS 104 Cb -0.12 -1.68 1.12 0.00 1.11 0.00 0.00 32.58 33.01 1sgo s HIS 104 CO 0.17 0.45 1.60 0.39 -0.85 0.00 0.00 174.74 176.50 1sgo n GLU 105 N 1.53 0.49 -3.65 1.40 1.02 -1.26 -0.45 120.64 119.72 1sgo n GLU 105 Ca -0.15 0.04 -0.15 0.00 -0.02 0.00 0.00 57.16 56.88 1sgo n GLU 105 Cb 0.53 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.37 1sgo n GLU 105 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1sgo s THR 106 N -2.23 0.02 0.29 2.62 -1.32 -1.26 -4.81 115.64 108.95 1sgo s THR 106 Ca 0.26 -0.17 0.26 0.00 -1.21 0.00 0.00 61.69 60.82 1sgo s THR 106 Cb 0.14 -0.80 0.26 0.00 -1.51 0.00 0.00 72.50 70.59 1sgo s THR 106 CO 0.26 -0.09 1.96 1.62 -2.21 0.00 0.00 174.62 176.15 1sgo h VAL 107 N 3.63 0.57 -0.12 5.08 3.04 -1.98 -2.87 116.25 123.59 1sgo h VAL 107 Ca -0.28 -0.81 -0.08 0.00 -1.01 0.00 0.00 66.70 64.51 1sgo h VAL 107 Cb 1.16 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 31.98 1sgo h VAL 107 CO 0.34 0.17 -0.25 1.88 -1.01 0.00 0.00 177.57 178.70 1sgo h TYR 108 N 0.00 0.47 0.00 3.17 0.05 -1.97 0.15 116.97 118.84 1sgo h TYR 108 Ca -0.00 -0.17 -0.02 0.00 0.05 0.00 0.00 58.73 58.58 1sgo h TYR 108 Cb 0.53 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 38.18 1sgo h TYR 108 CO 0.00 0.86 -0.10 1.03 -1.05 0.00 0.00 178.16 178.90 1sgo h SER 109 N -0.05 0.00 0.00 3.88 0.87 -1.95 -2.31 113.55 113.99 1sgo h SER 109 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.47 1sgo h SER 109 Cb 0.84 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 1sgo h SER 109 CO 0.05 0.10 -0.67 0.25 -0.53 0.00 0.00 176.83 176.04 1sgo h LEU 110 N 0.00 0.00 -2.02 2.23 5.85 -1.28 -3.37 115.31 116.72 1sgo h LEU 110 Ca -0.00 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1sgo h LEU 110 Cb 0.43 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1sgo h LEU 110 CO 0.01 1.07 -0.05 0.25 -0.34 0.00 0.00 178.44 179.38 1sgo h LEU 111 N -1.00 0.00 -1.06 2.25 5.85 -0.73 -2.04 115.31 118.57 1sgo h LEU 111 Ca -0.15 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.61 1sgo h LEU 111 Cb 0.86 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 1sgo h LEU 111 CO -0.09 0.05 0.63 -0.78 -0.34 0.00 0.00 178.44 177.92 1sgo h ASP 112 N 0.00 1.05 0.44 1.25 3.58 -1.58 -1.32 116.42 119.84 1sgo h ASP 112 Ca -0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1sgo h ASP 112 Cb 0.32 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1sgo h ASP 112 CO 0.01 0.72 -0.64 1.07 -2.88 0.00 0.00 179.24 177.51 1sgo n THR 113 N -4.44 0.04 0.02 2.25 5.66 -0.79 -4.02 114.28 113.00 1sgo n THR 113 Ca 0.13 -0.04 0.02 0.00 -3.05 0.00 0.00 64.05 61.11 1sgo n THR 113 Cb 0.10 0.34 -0.09 0.00 -1.55 0.00 0.00 70.33 69.13 1sgo n THR 113 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1sgo n LEU 114 N -1.59 0.62 -3.68 1.09 4.77 -0.81 -4.89 117.00 112.51 1sgo n LEU 114 Ca 0.05 0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 56.17 1sgo n LEU 114 Cb 0.35 0.10 -0.12 0.00 -2.33 0.00 0.00 43.42 41.42 1sgo n LEU 114 CO 0.37 0.12 -0.07 -0.44 -1.33 0.00 0.00 177.39 176.03 1sgo s SER 115 N -5.48 -0.03 0.52 -1.43 0.01 -0.56 -4.99 113.70 101.74 1sgo s SER 115 Ca -0.04 0.71 0.26 0.00 1.31 0.00 0.00 55.95 58.19 1sgo s SER 115 Cb 0.09 0.78 1.45 0.00 0.21 0.00 0.00 66.02 68.56 1sgo s SER 115 CO 0.83 -0.22 2.09 1.55 0.41 0.00 0.00 173.24 177.90 1sgo h PRO 116 N 7.87 0.00 0.00 12.44 0.13 -1.86 -2.34 132.00 148.24 1sgo h PRO 116 Ca -0.23 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 1sgo h PRO 116 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1sgo h PRO 116 CO 0.21 0.11 -0.06 0.00 -0.23 0.00 0.00 178.00 178.02 1sgo h ALA 117 N 1.89 1.11 -0.70 -0.56 0.00 -1.94 0.74 119.26 119.80 1sgo h ALA 117 Ca -0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1sgo h ALA 117 Cb 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1sgo h ALA 117 CO 0.01 0.08 0.21 -0.92 0.00 0.00 0.00 179.25 178.63 1sgo h TYR 118 N 0.00 1.13 0.01 0.00 3.20 -1.52 0.25 116.97 120.04 1sgo h TYR 118 Ca -0.00 -0.12 -0.22 0.00 3.14 0.00 0.00 58.73 61.53 1sgo h TYR 118 Cb 0.34 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 1sgo h TYR 118 CO 0.00 0.91 -1.05 0.00 -1.64 0.00 0.00 178.16 176.38 1sgo h ARG 119 N 1.03 0.03 0.19 1.82 3.08 -1.17 -0.66 114.38 118.69 1sgo h ARG 119 Ca 0.22 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1sgo h ARG 119 Cb 0.32 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1sgo h ARG 119 CO -0.01 1.01 -0.09 0.93 -1.07 0.00 0.00 179.97 180.74 1sgo h GLU 120 N 0.01 -0.24 -0.53 0.04 3.07 -0.77 -1.20 114.58 114.95 1sgo h GLU 120 Ca -0.03 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1sgo h GLU 120 Cb 1.80 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 29.74 1sgo h GLU 120 CO 0.14 -0.13 0.31 0.00 -1.40 0.00 0.00 179.01 177.92 1sgo h ALA 121 N 0.52 0.67 -0.25 3.43 0.00 -0.42 0.30 119.26 123.52 1sgo h ALA 121 Ca -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1sgo h ALA 121 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1sgo h ALA 121 CO 0.04 0.17 0.13 0.35 0.00 0.00 0.00 179.25 179.94 1sgo h PHE 122 N 0.70 0.35 -0.46 0.00 3.57 -1.12 0.17 116.94 120.16 1sgo h PHE 122 Ca 0.19 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 1sgo h PHE 122 Cb 0.01 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1sgo h PHE 122 CO -0.02 0.33 0.02 0.78 -2.23 0.00 0.00 178.31 177.18 1sgo h GLY 123 N 0.28 0.80 1.54 2.40 0.00 -0.93 -2.10 103.07 105.06 1sgo h GLY 123 Ca 0.09 -0.51 -0.16 0.00 0.00 0.00 0.00 47.33 46.75 1sgo h GLY 123 CO -0.01 0.47 -0.57 -0.57 0.00 0.00 0.00 176.54 175.86 1sgo h ASN 124 N 0.70 0.53 -0.21 0.19 -0.73 -0.00 0.12 115.58 116.18 1sgo h ASN 124 Ca 0.14 -0.29 -0.07 0.00 1.87 0.00 0.00 56.30 57.95 1sgo h ASN 124 Cb 0.40 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 38.83 1sgo h ASN 124 CO 0.01 0.99 -0.14 0.00 -0.37 0.00 0.00 177.43 177.92 1sgo h ALA 125 N 1.02 0.30 -0.68 1.57 0.00 -0.44 0.58 119.26 121.61 1sgo h ALA 125 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1sgo h ALA 125 Cb 1.10 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1sgo h ALA 125 CO 0.10 0.18 0.21 -0.07 0.00 0.00 0.00 179.25 179.67 1sgo h LEU 126 N 0.16 0.98 0.02 0.00 4.07 -1.38 0.12 115.31 119.28 1sgo h LEU 126 Ca 0.04 -0.18 0.01 0.00 0.08 0.00 0.00 57.88 57.83 1sgo h LEU 126 Cb 0.66 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1sgo h LEU 126 CO 0.04 0.92 -0.07 0.25 -1.08 0.00 0.00 178.44 178.50 1sgo h LEU 127 N 1.01 -0.19 -0.86 1.67 7.12 -0.74 -0.19 115.31 123.13 1sgo h LEU 127 Ca 0.22 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.25 1sgo h LEU 127 Cb 0.29 0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 40.46 1sgo h LEU 127 CO -0.01 -0.10 0.52 -0.61 -0.13 0.00 0.00 178.44 178.11 1sgo h GLN 128 N -0.13 1.17 -0.77 1.25 4.15 0.52 -1.14 115.11 120.15 1sgo h GLN 128 Ca 0.02 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.29 1sgo h GLN 128 Cb 0.15 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 1sgo h GLN 128 CO -0.05 0.82 0.31 -0.09 -1.93 0.00 0.00 178.83 177.89 1sgo h ARG 129 N 1.18 1.16 -0.36 1.69 2.43 -0.48 0.38 114.38 120.38 1sgo h ARG 129 Ca 0.31 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1sgo h ARG 129 Cb -0.05 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 1sgo h ARG 129 CO -0.06 0.94 0.23 -0.07 -1.51 0.00 0.00 179.97 179.50 1sgo h LEU 130 N 1.12 0.42 -0.43 3.80 3.38 -0.49 -0.09 115.31 123.03 1sgo h LEU 130 Ca 0.26 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.20 1sgo h LEU 130 Cb 0.21 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1sgo h LEU 130 CO -0.02 0.33 0.27 -0.08 0.09 0.00 0.00 178.44 179.03 1sgo h GLU 131 N 0.48 0.54 -0.21 1.13 4.57 -0.69 0.21 114.58 120.61 1sgo h GLU 131 Ca 0.13 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.32 1sgo h GLU 131 Cb -0.02 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 1sgo h GLU 131 CO -0.03 0.36 -0.03 0.00 -1.18 0.00 0.00 179.01 178.13 1sgo h ALA 132 N 1.17 0.16 -0.02 2.92 0.00 0.13 -0.12 119.26 123.50 1sgo h ALA 132 Ca 0.16 0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.95 1sgo h ALA 132 Cb -0.04 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1sgo h ALA 132 CO -0.05 -0.46 -0.85 -0.07 0.00 0.00 0.00 179.25 177.83 1sgo h LEU 133 N 0.03 0.38 -0.55 0.00 3.38 -0.85 -2.99 115.31 114.71 1sgo h LEU 133 Ca 0.10 -0.29 -0.16 0.00 0.09 0.00 0.00 57.88 57.62 1sgo h LEU 133 Cb 0.14 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1sgo h LEU 133 CO -0.20 1.07 -0.67 0.50 0.09 0.00 0.00 178.44 179.23 1sgo h LYS 134 N 0.18 0.26 -0.01 1.13 3.64 -0.31 -3.05 116.57 118.41 1sgo h LYS 134 Ca -0.05 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1sgo h LYS 134 Cb 1.46 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 1sgo h LYS 134 CO 0.14 0.83 -0.26 -2.13 -2.27 0.00 0.00 179.45 175.76 1sgo n ARG 135 N -3.83 0.76 -5.08 1.90 0.63 -0.08 -4.84 116.66 106.12 1sgo n ARG 135 Ca -0.03 -0.43 -0.32 0.00 -0.92 0.00 0.00 57.85 56.15 1sgo n ARG 135 Cb 0.66 -1.49 -0.16 0.00 0.45 0.00 0.00 32.46 31.92 1sgo n ARG 135 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1sgo s ASP 136 N -2.54 3.43 0.00 6.15 2.15 -1.13 -5.06 116.67 119.68 1sgo s ASP 136 Ca 0.24 -0.44 0.00 0.00 0.43 0.00 0.00 52.55 52.78 1sgo s ASP 136 Cb 0.19 -1.20 0.00 0.00 -0.30 0.00 0.00 42.92 41.61 1sgo s ASP 136 CO 0.53 0.21 0.00 0.61 -0.17 0.00 0.00 175.17 176.35 1sgo n GLY 137 N 3.19 0.82 2.78 2.66 0.00 -1.26 -4.84 105.19 108.53 1sgo n GLY 137 Ca -0.18 -2.12 -0.14 0.00 0.00 0.00 0.00 46.02 43.58 1sgo n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgo n GLN 138 N -0.88 0.49 0.00 1.61 10.64 -1.26 -5.19 117.38 122.79 1sgo n GLN 138 Ca 0.00 -2.55 0.07 0.00 -1.83 0.00 0.00 57.00 52.69 1sgo n GLN 138 Cb 0.00 2.29 0.06 0.00 -0.86 0.00 0.00 30.24 31.73 1sgo n GLN 138 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66