#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 1.38 0.00 0.03 2.13 -1.26 -4.99 120.64 117.93 1sgo n GLU 2 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1sgo n GLU 2 Cb 0.00 -0.25 0.00 0.00 0.27 0.00 0.00 31.44 31.46 1sgo n GLU 2 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1sgo n THR 3 N -0.27 0.00 -3.26 6.31 -2.24 -1.26 -4.99 114.28 108.57 1sgo n THR 3 Ca 0.00 0.85 -0.08 0.00 -2.27 0.00 0.00 64.05 62.54 1sgo n THR 3 Cb 0.00 -1.83 0.01 0.00 -2.10 0.00 0.00 70.33 66.41 1sgo n THR 3 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1sgo n ASP 4 N -1.96 -6.96 -1.62 3.42 8.00 -1.26 -4.88 116.55 111.30 1sgo n ASP 4 Ca 0.00 -0.37 -0.12 0.00 0.71 0.00 0.00 54.79 55.01 1sgo n ASP 4 Cb 0.00 -4.47 0.10 0.00 -0.02 0.00 0.00 41.12 36.73 1sgo n ASP 4 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sgo n ASN 6 N -0.32 -6.69 -4.75 0.00 6.94 -1.26 -4.89 115.26 104.29 1sgo n ASN 6 Ca 0.30 0.72 -0.41 0.00 -0.02 0.00 0.00 54.58 55.17 1sgo n ASN 6 Cb 1.09 -2.21 -0.02 0.00 -2.36 0.00 0.00 39.78 36.28 1sgo n ASN 6 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1sgo s PRO 7 N -0.80 4.33 0.07 -0.53 0.04 -1.26 -4.94 135.00 131.91 1sgo s PRO 7 Ca -0.02 2.21 -0.08 0.00 0.04 0.00 0.00 61.00 63.15 1sgo s PRO 7 Cb 0.00 -3.12 -0.28 0.00 0.04 0.00 0.00 34.50 31.14 1sgo s PRO 7 CO 0.14 -0.29 1.12 0.52 0.04 0.00 0.00 177.00 178.53 1sgo h MET 8 N 4.51 0.37 -6.11 4.56 2.86 -2.06 -3.41 114.93 115.65 1sgo h MET 8 Ca -0.47 -0.60 -0.58 0.00 -2.06 0.00 0.00 59.70 55.99 1sgo h MET 8 Cb 1.22 0.22 -0.10 0.00 0.06 0.00 0.00 31.60 32.99 1sgo h MET 8 CO 0.73 1.27 0.77 -1.21 1.06 0.00 0.00 176.91 179.53 1sgo s GLU 9 N -2.73 3.34 0.07 1.72 0.41 -1.26 -4.88 118.70 115.37 1sgo s GLU 9 Ca -0.06 -0.17 -0.06 0.00 -0.41 0.00 0.00 54.97 54.28 1sgo s GLU 9 Cb 0.06 -4.08 -0.29 0.00 -1.78 0.00 0.00 34.13 28.04 1sgo s GLU 9 CO 0.90 -1.69 1.12 -0.07 -0.49 0.00 0.00 175.26 175.03 1sgo h LEU 10 N 11.64 0.48 0.31 1.80 3.38 -2.02 -3.47 115.31 127.43 1sgo h LEU 10 Ca -0.26 -0.51 -0.13 0.00 0.09 0.00 0.00 57.88 57.06 1sgo h LEU 10 Cb 1.06 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 1sgo h LEU 10 CO 1.16 1.40 -0.12 -1.20 0.09 0.00 0.00 178.44 179.77 1sgo n SER 11 N -3.56 -5.79 -3.38 -0.43 7.64 -1.26 -4.90 113.62 101.95 1sgo n SER 11 Ca -0.09 0.16 -0.12 0.00 1.01 0.00 0.00 58.87 59.82 1sgo n SER 11 Cb 1.03 -3.85 -0.09 0.00 -1.01 0.00 0.00 64.21 60.29 1sgo n SER 11 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1sgo s SER 12 N -2.25 0.78 0.37 6.43 0.01 -1.26 -5.15 113.70 112.62 1sgo s SER 12 Ca 0.00 -0.18 0.08 0.00 1.31 0.00 0.00 55.95 57.16 1sgo s SER 12 Cb 0.00 0.85 -0.03 0.00 0.21 0.00 0.00 66.02 67.05 1sgo s SER 12 CO 0.00 -0.33 0.26 -0.04 0.41 0.00 0.00 173.24 173.54 1sgo s MET 13 N 2.47 2.53 0.22 12.44 1.00 -1.26 -5.07 119.30 131.62 1sgo s MET 13 Ca 0.10 -1.48 -0.32 0.00 0.00 0.00 0.00 55.69 53.99 1sgo s MET 13 Cb -0.15 -2.32 -0.12 0.00 0.00 0.00 0.00 34.83 32.24 1sgo s MET 13 CO -0.21 0.00 1.65 0.43 0.00 0.00 0.00 175.02 176.89 1sgo n SER 14 N -1.34 3.72 0.00 3.03 7.64 -1.26 -4.32 113.62 121.09 1sgo n SER 14 Ca -0.01 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1sgo n SER 14 Cb 0.61 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 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 3.37 1.75 2.18 0.23 0.00 -1.26 -5.00 105.19 106.47 1sgo n GLY 15 Ca 0.14 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1sgo n GLY 15 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1sgo n PHE 16 N 0.00 2.88 0.06 1.61 1.16 -1.26 -4.53 117.46 117.38 1sgo n PHE 16 Ca 0.00 -2.19 -0.08 0.00 -1.87 0.00 0.00 57.45 53.31 1sgo n PHE 16 Cb 0.00 -1.09 0.09 0.00 -1.61 0.00 0.00 39.48 36.88 1sgo n PHE 16 CO 0.00 0.00 0.00 -0.85 -1.87 0.00 0.00 176.76 174.04 1sgo n GLU 17 N -0.90 1.73 -1.71 3.97 0.28 -1.26 -4.89 120.64 117.85 1sgo n GLU 17 Ca 0.56 -1.32 -0.43 0.00 -0.16 0.00 0.00 57.16 55.82 1sgo n GLU 17 Cb 1.21 -1.56 -0.03 0.00 1.43 0.00 0.00 31.44 32.49 1sgo n GLU 17 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1sgo s GLU 18 N -1.48 3.50 0.00 3.44 2.02 -1.26 -4.84 118.70 120.07 1sgo s GLU 18 Ca 0.25 2.10 0.00 0.00 0.02 0.00 0.00 54.97 57.33 1sgo s GLU 18 Cb 0.20 -4.26 0.00 0.00 0.10 0.00 0.00 34.13 30.17 1sgo s GLU 18 CO 0.05 -1.68 0.00 0.41 0.02 0.00 0.00 175.26 174.06 1sgo n GLY 19 N 5.27 -1.49 2.73 -1.39 0.00 -1.26 -5.00 105.19 104.05 1sgo n GLY 19 Ca 0.25 -1.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 1sgo n GLY 19 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sgo n SER 20 N 0.91 -5.97 -4.59 1.61 7.64 -1.26 -4.91 113.62 107.05 1sgo n SER 20 Ca 0.00 -0.17 -0.42 0.00 1.01 0.00 0.00 58.87 59.29 1sgo n SER 20 Cb 0.00 -4.87 -0.03 0.00 -1.01 0.00 0.00 64.21 58.31 1sgo n SER 20 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1sgo s GLU 21 N -5.39 3.29 -0.97 1.43 0.41 -1.26 -0.96 118.70 115.25 1sgo s GLU 21 Ca 0.17 1.06 0.00 0.00 -0.41 0.00 0.00 54.97 55.79 1sgo s GLU 21 Cb -0.07 -4.17 0.00 0.00 -1.78 0.00 0.00 34.13 28.11 1sgo s GLU 21 CO 0.21 -1.92 0.00 1.28 -0.49 0.00 0.00 175.26 174.34 1sgo n LEU 22 N 10.17 -1.13 -3.97 1.80 4.77 -1.26 -5.02 117.00 122.36 1sgo n LEU 22 Ca 0.20 0.11 -0.31 0.00 -0.03 0.00 0.00 56.01 55.98 1sgo n LEU 22 Cb 0.48 -1.68 -0.15 0.00 -2.33 0.00 0.00 43.42 39.74 1sgo n LEU 22 CO 0.70 -0.31 -0.42 0.20 -1.33 0.00 0.00 177.39 176.23 1sgo s ASN 23 N -2.71 4.11 0.00 -1.43 -0.87 -0.13 -4.73 114.94 109.18 1sgo s ASN 23 Ca 0.00 -1.35 0.00 0.00 -1.57 0.00 0.00 52.86 49.94 1sgo s ASN 23 Cb 0.00 -1.31 0.00 0.00 -0.02 0.00 0.00 41.25 39.92 1sgo s ASN 23 CO 0.00 -0.25 0.00 0.61 -2.57 0.00 0.00 177.10 174.89 1sgo n GLY 24 N 4.57 1.94 3.40 0.66 0.00 -1.26 -4.74 105.19 109.75 1sgo n GLY 24 Ca -0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.00 3.06 0.09 1.61 0.40 -1.26 -5.03 117.98 114.85 1sgo s PHE 25 Ca 0.00 -0.84 0.03 0.00 -0.60 0.00 0.00 56.93 55.52 1sgo s PHE 25 Cb 0.00 -3.75 -0.04 0.00 0.51 0.00 0.00 43.02 39.74 1sgo s PHE 25 CO 0.00 -1.14 -0.09 -2.00 0.70 0.00 0.00 175.22 172.69 1sgo s GLU 26 N 2.48 0.80 0.30 0.44 2.56 -1.26 -5.04 118.70 118.98 1sgo s GLU 26 Ca 0.11 -1.13 0.16 0.00 0.00 0.00 0.00 54.97 54.11 1sgo s GLU 26 Cb -0.23 -0.46 0.25 0.00 2.00 0.00 0.00 34.13 35.70 1sgo s GLU 26 CO 0.08 0.06 1.53 0.78 -0.56 0.00 0.00 175.26 177.15 1sgo h GLY 27 N 3.60 0.00 -6.56 -1.50 0.00 -2.09 -3.43 103.07 93.10 1sgo h GLY 27 Ca -0.37 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.50 1sgo h GLY 27 CO 0.53 0.00 -0.78 -1.59 0.00 0.00 0.00 176.54 174.69 1sgo s THR 28 N -3.16 0.70 0.93 4.70 2.01 -1.26 -5.15 115.64 114.41 1sgo s THR 28 Ca 0.02 -0.13 -0.15 0.00 0.31 0.00 0.00 61.69 61.74 1sgo s THR 28 Cb 0.09 -0.75 0.16 0.00 0.01 0.00 0.00 72.50 72.01 1sgo s THR 28 CO 0.73 0.29 1.24 -1.81 -0.69 0.00 0.00 174.62 174.39 1sgo s ASP 29 N 1.45 3.43 -0.97 3.53 1.01 -1.26 -4.96 116.67 118.90 1sgo s ASP 29 Ca -0.02 0.52 -0.21 0.00 0.71 0.00 0.00 52.55 53.56 1sgo s ASP 29 Cb -0.13 -0.77 0.09 0.00 1.01 0.00 0.00 42.92 43.12 1sgo s ASP 29 CO -0.04 -2.56 1.28 -0.04 0.21 0.00 0.00 175.17 174.02 1sgo s MET 30 N -5.70 3.59 0.48 8.23 -1.94 -1.26 -4.99 119.30 117.71 1sgo s MET 30 Ca 0.69 -1.45 -0.08 0.00 -1.71 0.00 0.00 55.69 53.14 1sgo s MET 30 Cb -0.08 -5.12 -0.05 0.00 2.01 0.00 0.00 34.83 31.60 1sgo s MET 30 CO 0.52 -1.98 0.83 -1.59 -0.01 0.00 0.00 175.02 172.79 1sgo s LYS 31 N 3.77 3.64 -0.23 2.03 -2.85 -1.26 -5.06 119.74 119.78 1sgo s LYS 31 Ca 0.39 0.41 -0.07 0.00 -1.00 0.00 0.00 55.97 55.70 1sgo s LYS 31 Cb -0.03 -2.32 -0.03 0.00 -2.06 0.00 0.00 37.83 33.39 1sgo s LYS 31 CO -0.10 -0.21 0.05 0.34 0.10 0.00 0.00 175.35 175.53 1sgo s ASP 32 N -3.78 5.04 0.61 0.03 -1.08 -1.26 -4.35 116.67 111.88 1sgo s ASP 32 Ca 0.50 -0.20 0.35 0.00 -0.52 0.00 0.00 52.55 52.69 1sgo s ASP 32 Cb -0.10 -1.89 1.96 0.00 -1.46 0.00 0.00 42.92 41.43 1sgo s ASP 32 CO 0.42 -0.00 2.25 -0.03 0.52 0.00 0.00 175.17 178.32 1sgo h MET 33 N 7.99 0.00 0.00 4.34 1.85 0.12 -1.07 114.93 128.16 1sgo h MET 33 Ca -0.38 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 58.68 1sgo h MET 33 Cb 1.17 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.20 1sgo h MET 33 CO 0.59 0.02 -0.16 -0.09 -0.40 0.00 0.00 176.91 176.87 1sgo h ARG 34 N 0.00 0.00 -0.03 0.39 2.43 -1.87 0.13 114.38 115.43 1sgo h ARG 34 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1sgo h ARG 34 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1sgo h ARG 34 CO 0.00 0.16 -0.06 -0.07 -1.51 0.00 0.00 179.97 178.49 1sgo h LEU 35 N 0.00 0.11 -1.64 3.80 3.38 -1.59 0.11 115.31 119.48 1sgo h LEU 35 Ca -0.00 -0.57 -0.04 0.00 0.09 0.00 0.00 57.88 57.36 1sgo h LEU 35 Cb 0.32 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1sgo h LEU 35 CO 0.02 0.65 -0.20 -0.33 0.09 0.00 0.00 178.44 178.68 1sgo h GLU 36 N -0.43 0.00 0.19 1.13 5.08 -1.61 -2.24 114.58 116.70 1sgo h GLU 36 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1sgo h GLU 36 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1sgo h GLU 36 CO 0.01 0.20 -0.09 0.00 -1.00 0.00 0.00 179.01 178.13 1sgo h ALA 37 N 1.80 -0.26 -0.65 3.43 0.00 -0.33 -1.12 119.26 122.14 1sgo h ALA 37 Ca -0.00 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1sgo h ALA 37 Cb 0.45 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1sgo h ALA 37 CO 0.03 -0.46 0.43 1.49 0.00 0.00 0.00 179.25 180.74 1sgo h GLU 38 N -0.63 0.72 -0.12 0.00 4.57 -0.68 0.79 114.58 119.24 1sgo h GLU 38 Ca -0.03 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1sgo h GLU 38 Cb 0.46 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1sgo h GLU 38 CO 0.04 0.48 0.06 0.00 -1.18 0.00 0.00 179.01 178.41 1sgo h ALA 39 N 1.63 0.15 -0.02 2.92 0.00 -1.26 -1.81 119.26 120.87 1sgo h ALA 39 Ca 0.27 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1sgo h ALA 39 Cb 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1sgo h ALA 39 CO -0.08 -0.29 0.01 0.28 0.00 0.00 0.00 179.25 179.17 1sgo h VAL 40 N 0.07 1.12 -0.46 0.00 2.07 -0.39 -1.41 116.25 117.25 1sgo h VAL 40 Ca 0.04 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 67.29 1sgo h VAL 40 Cb 0.11 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 1sgo h VAL 40 CO -0.01 0.09 0.07 0.58 0.02 0.00 0.00 177.57 178.33 1sgo h VAL 41 N -0.11 0.73 -0.17 2.57 2.07 -0.82 -1.23 116.25 119.28 1sgo h VAL 41 Ca 0.01 -0.07 -0.15 0.00 0.82 0.00 0.00 66.70 67.31 1sgo h VAL 41 Cb 0.15 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1sgo h VAL 41 CO -0.00 0.04 -0.52 -1.13 0.02 0.00 0.00 177.57 175.98 1sgo h ASN 42 N 0.20 0.53 0.01 0.57 -0.00 -1.29 -2.88 115.58 112.71 1sgo h ASN 42 Ca 0.23 -0.27 -0.00 0.00 -0.00 0.00 0.00 56.30 56.26 1sgo h ASN 42 Cb 0.30 -0.15 0.00 0.00 -0.00 0.00 0.00 38.32 38.47 1sgo h ASN 42 CO -0.31 0.95 -0.00 -0.78 -0.00 0.00 0.00 177.43 177.29 1sgo h ASP 43 N 0.38 -0.01 -0.56 1.15 3.58 -0.49 -3.28 116.42 117.19 1sgo h ASP 43 Ca 0.01 -0.67 0.00 0.00 0.42 0.00 0.00 57.03 56.79 1sgo h ASP 43 Cb 1.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.09 1sgo h ASP 43 CO 0.09 0.67 0.00 1.33 -2.88 0.00 0.00 179.24 178.45 1sgo n VAL 44 N -4.77 1.06 0.22 2.25 0.24 -0.54 -4.29 118.33 112.50 1sgo n VAL 44 Ca -0.09 -0.84 0.11 0.00 -2.04 0.00 0.00 64.34 61.48 1sgo n VAL 44 Cb 0.33 0.25 0.68 0.00 -1.47 0.00 0.00 33.84 33.63 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 3.36 0.00 -0.03 1.34 5.85 -1.57 -0.31 115.31 123.95 1sgo h LEU 45 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1sgo h LEU 45 Cb 0.96 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1sgo h LEU 45 CO 0.08 0.00 0.00 2.22 -0.34 0.00 0.00 178.44 180.40 1sgo n PHE 46 N -4.42 0.08 0.30 1.25 -1.74 -1.26 -2.57 117.46 109.11 1sgo n PHE 46 Ca -0.01 0.03 0.11 0.00 -0.56 0.00 0.00 57.45 57.02 1sgo n PHE 46 Cb 0.18 -0.55 0.20 0.00 1.52 0.00 0.00 39.48 40.83 1sgo n PHE 46 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1sgo n ALA 47 N -1.53 2.41 -2.32 1.98 0.00 -0.13 -4.94 120.51 115.98 1sgo n ALA 47 Ca 0.05 -0.98 -0.20 0.00 0.00 0.00 0.00 53.44 52.32 1sgo n ALA 47 Cb 0.27 -0.81 -0.08 0.00 0.00 0.00 0.00 19.45 18.83 1sgo n ALA 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1sgo s VAL 48 N -1.44 0.00 -0.12 0.00 -7.23 -1.06 -4.17 120.40 106.38 1sgo s VAL 48 Ca 0.36 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.49 1sgo s VAL 48 Cb 0.21 -2.51 -0.26 0.00 0.56 0.00 0.00 36.38 34.38 1sgo s VAL 48 CO 0.30 0.00 0.37 -3.20 -0.31 0.00 0.00 175.10 172.26 1sgo n ASN 49 N -1.65 2.10 -3.67 4.85 5.15 0.70 -4.59 115.26 118.15 1sgo n ASN 49 Ca 0.08 0.21 -0.13 0.00 -0.60 0.00 0.00 54.58 54.14 1sgo n ASN 49 Cb 0.62 -0.84 -0.06 0.00 -0.53 0.00 0.00 39.78 38.96 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 -7.02 -0.29 -0.29 1.20 2.47 -0.08 -5.03 114.94 105.91 1sgo s ASN 50 Ca -0.22 0.03 -0.15 0.00 0.42 0.00 0.00 52.86 52.94 1sgo s ASN 50 Cb 0.07 0.42 0.11 0.00 -1.45 0.00 0.00 41.25 40.40 1sgo s ASN 50 CO 0.77 -0.65 0.77 -0.32 -3.72 0.00 0.00 177.10 173.95 1sgo s MET 51 N -2.36 0.58 -0.24 0.43 -2.45 -1.26 -0.16 119.30 113.83 1sgo s MET 51 Ca -0.06 1.11 -0.20 0.00 -1.25 0.00 0.00 55.69 55.30 1sgo s MET 51 Cb -0.01 0.29 0.07 0.00 1.25 0.00 0.00 34.83 36.42 1sgo s MET 51 CO -0.02 -0.14 0.64 0.12 1.05 0.00 0.00 175.02 176.67 1sgo s PHE 52 N 1.87 -0.78 0.31 4.11 5.36 -0.30 -4.97 117.98 123.59 1sgo s PHE 52 Ca -0.08 1.78 -0.30 0.00 -0.96 0.00 0.00 56.93 57.37 1sgo s PHE 52 Cb -0.06 0.33 -0.11 0.00 -0.34 0.00 0.00 43.02 42.84 1sgo s PHE 52 CO -0.19 -0.38 1.57 0.14 -1.46 0.00 0.00 175.22 174.90 1sgo s VAL 53 N 0.72 2.06 0.18 3.12 -7.23 -1.26 -1.15 120.40 116.83 1sgo s VAL 53 Ca -0.03 0.05 -0.15 0.00 -1.81 0.00 0.00 61.98 60.04 1sgo s VAL 53 Cb -0.05 -3.03 0.10 0.00 0.56 0.00 0.00 36.38 33.96 1sgo s VAL 53 CO -0.05 0.01 1.68 0.28 -0.31 0.00 0.00 175.10 176.71 1sgo h SER 54 N 4.43 -0.24 0.00 4.85 0.02 -1.74 -3.44 113.55 117.42 1sgo h SER 54 Ca -0.48 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1sgo h SER 54 Cb 1.22 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1sgo h SER 54 CO 0.76 -0.08 0.00 1.17 -1.14 0.00 0.00 176.83 177.54 1sgo n LYS 55 N -5.24 -0.76 -0.49 3.45 4.81 -1.26 -4.68 118.16 113.99 1sgo n LYS 55 Ca 0.04 0.19 0.06 0.00 -0.87 0.00 0.00 58.31 57.72 1sgo n LYS 55 Cb 0.24 -4.00 0.11 0.00 0.02 0.00 0.00 35.03 31.40 1sgo n LYS 55 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1sgo n SER 56 N -0.38 1.45 -3.67 3.14 7.64 -1.26 -4.99 113.62 115.55 1sgo n SER 56 Ca 0.00 -2.86 -0.09 0.00 1.01 0.00 0.00 58.87 56.93 1sgo n SER 56 Cb 0.19 -0.38 -0.10 0.00 -1.01 0.00 0.00 64.21 62.91 1sgo n SER 56 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1sgo s LEU 57 N -1.87 -0.45 -0.20 -3.43 1.43 -1.26 -5.11 118.68 107.79 1sgo s LEU 57 Ca 0.26 0.93 -0.29 0.00 -1.03 0.00 0.00 54.13 54.01 1sgo s LEU 57 Cb 0.25 1.30 -0.05 0.00 0.03 0.00 0.00 46.19 47.72 1sgo s LEU 57 CO -0.03 -0.22 1.99 0.00 0.23 0.00 0.00 176.35 178.32 1sgo s ARG 58 N 2.24 3.45 -0.63 1.70 3.03 -1.26 -4.57 118.95 122.91 1sgo s ARG 58 Ca -0.04 1.94 -0.11 0.00 2.03 0.00 0.00 55.73 59.55 1sgo s ARG 58 Cb -0.11 -4.24 0.16 0.00 -1.03 0.00 0.00 34.95 29.73 1sgo s ARG 58 CO -0.12 -1.72 0.53 0.00 -1.13 0.00 0.00 175.30 172.86 1sgo n ALA 60 N 4.42 -0.03 0.09 0.00 0.00 -1.06 -4.92 120.51 118.99 1sgo n ALA 60 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1sgo n ALA 60 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.05 -0.16 -1.58 0.00 8.00 -1.26 -4.81 116.55 115.69 1sgo n ASP 61 Ca 0.00 0.31 0.08 0.00 0.71 0.00 0.00 54.79 55.88 1sgo n ASP 61 Cb 0.00 0.30 0.36 0.00 -0.02 0.00 0.00 41.12 41.76 1sgo n ASP 61 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1sgo n ASP 62 N -3.09 5.14 -3.75 -2.24 8.00 -1.26 0.83 116.55 120.17 1sgo n ASP 62 Ca 0.00 -2.92 -0.15 0.00 0.71 0.00 0.00 54.79 52.44 1sgo n ASP 62 Cb 0.00 -0.64 -0.16 0.00 -0.02 0.00 0.00 41.12 40.31 1sgo n ASP 62 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1sgo s VAL 63 N -2.71 -0.06 -0.09 2.53 0.11 -1.26 -3.48 120.40 115.45 1sgo s VAL 63 Ca 0.51 0.22 -0.04 0.00 -2.93 0.00 0.00 61.98 59.74 1sgo s VAL 63 Cb 0.39 -0.14 0.05 0.00 -1.53 0.00 0.00 36.38 35.14 1sgo s VAL 63 CO 0.15 0.09 0.18 0.00 -3.33 0.00 0.00 175.10 172.19 1sgo s ALA 64 N 1.20 -0.30 -0.20 1.54 0.00 0.38 -2.58 121.76 121.80 1sgo s ALA 64 Ca -0.08 0.71 -0.15 0.00 0.00 0.00 0.00 51.96 52.44 1sgo s ALA 64 Cb -0.12 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1sgo s ALA 64 CO -0.04 -0.37 0.36 0.71 0.00 0.00 0.00 175.76 176.42 1sgo s TYR 65 N 1.74 3.38 0.04 0.00 2.02 -1.26 -0.33 117.35 122.93 1sgo s TYR 65 Ca -0.04 0.58 0.07 0.00 -0.37 0.00 0.00 57.07 57.31 1sgo s TYR 65 Cb -0.12 -2.47 -0.02 0.00 -0.40 0.00 0.00 41.96 38.95 1sgo s TYR 65 CO -0.07 0.04 -0.20 0.42 -1.57 0.00 0.00 175.55 174.17 1sgo s ILE 66 N 1.14 1.62 -0.21 2.71 1.01 0.14 -2.21 121.20 125.40 1sgo s ILE 66 Ca 0.18 -1.14 -0.07 0.00 0.00 0.00 0.00 60.65 59.62 1sgo s ILE 66 Cb -0.14 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 1sgo s ILE 66 CO 0.07 0.22 0.04 0.20 0.00 0.00 0.00 174.94 175.48 1sgo s ASN 67 N -1.08 5.17 0.08 3.58 0.01 -0.30 -0.24 114.94 122.16 1sgo s ASN 67 Ca 0.07 -0.12 0.09 0.00 -0.71 0.00 0.00 52.86 52.19 1sgo s ASN 67 Cb -0.09 -1.90 -0.03 0.00 0.41 0.00 0.00 41.25 39.64 1sgo s ASN 67 CO 0.01 0.06 -0.25 0.54 -1.51 0.00 0.00 177.10 175.95 1sgo s VAL 68 N 1.05 2.04 -0.25 1.60 0.11 0.10 -1.15 120.40 123.91 1sgo s VAL 68 Ca 0.03 -1.51 -0.02 0.00 -2.93 0.00 0.00 61.98 57.55 1sgo s VAL 68 Cb -0.14 -1.79 0.08 0.00 -1.53 0.00 0.00 36.38 33.00 1sgo s VAL 68 CO 0.03 0.18 0.07 -0.70 -3.33 0.00 0.00 175.10 171.35 1sgo s GLU 69 N -1.61 0.60 1.23 1.54 2.12 0.77 -0.27 118.70 123.08 1sgo s GLU 69 Ca 0.11 -0.69 -0.18 0.00 0.36 0.00 0.00 54.97 54.57 1sgo s GLU 69 Cb -0.10 -1.91 0.30 0.00 0.26 0.00 0.00 34.13 32.68 1sgo s GLU 69 CO 0.04 -0.84 1.04 0.95 -0.54 0.00 0.00 175.26 175.91 1sgo s THR 70 N 1.80 1.63 0.22 -1.70 -4.23 0.05 -0.22 115.64 113.19 1sgo s THR 70 Ca 0.05 0.00 0.36 0.00 -1.18 0.00 0.00 61.69 60.92 1sgo s THR 70 Cb -0.17 -2.29 0.40 0.00 1.34 0.00 0.00 72.50 71.78 1sgo s THR 70 CO -0.19 0.00 2.07 0.11 -0.54 0.00 0.00 174.62 176.06 1sgo h LYS 71 N -2.73 0.00 -0.01 3.99 1.57 -1.81 0.14 116.57 117.71 1sgo h LYS 71 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1sgo h LYS 71 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1sgo h LYS 71 CO 0.40 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.67 1sgo n GLU 72 N -3.06 1.03 -1.41 3.15 4.71 -1.26 -4.82 120.64 118.99 1sgo n GLU 72 Ca -0.00 -0.05 -0.11 0.00 -0.01 0.00 0.00 57.16 56.99 1sgo n GLU 72 Cb 0.25 -1.36 -0.04 0.00 -1.01 0.00 0.00 31.44 29.28 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 -0.80 -0.76 -3.19 3.49 0.63 0.47 -4.99 116.66 111.50 1sgo n ARG 73 Ca 0.17 0.84 -0.39 0.00 -0.92 0.00 0.00 57.85 57.55 1sgo n ARG 73 Cb 0.09 -4.81 -0.05 0.00 0.45 0.00 0.00 32.46 28.14 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 -2.85 6.83 -0.17 6.15 0.02 -1.25 -4.82 114.94 118.84 1sgo s ASN 74 Ca 0.00 0.99 -0.08 0.00 -1.02 0.00 0.00 52.86 52.74 1sgo s ASN 74 Cb 0.00 -2.34 -0.05 0.00 0.02 0.00 0.00 41.25 38.88 1sgo s ASN 74 CO 0.00 -0.04 0.11 -0.13 0.02 0.00 0.00 177.10 177.06 1sgo s ARG 75 N 0.66 3.91 0.10 -0.60 0.52 -1.26 -0.77 118.95 121.52 1sgo s ARG 75 Ca 0.31 -0.23 0.06 0.00 -0.52 0.00 0.00 55.73 55.35 1sgo s ARG 75 Cb -0.16 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 31.97 1sgo s ARG 75 CO 0.14 0.43 -0.15 0.71 0.02 0.00 0.00 175.30 176.45 1sgo s TYR 76 N -0.04 1.39 -0.20 -0.53 2.02 0.62 -2.06 117.35 118.55 1sgo s TYR 76 Ca 0.09 -0.50 -0.04 0.00 -0.37 0.00 0.00 57.07 56.26 1sgo s TYR 76 Cb -0.12 -0.75 -0.01 0.00 -0.40 0.00 0.00 41.96 40.68 1sgo s TYR 76 CO 0.00 0.12 -0.05 0.00 -1.57 0.00 0.00 175.55 174.05 1sgo s LEU 78 N 1.23 3.02 -0.73 0.00 1.43 0.66 -1.48 118.68 122.82 1sgo s LEU 78 Ca 0.03 -0.24 -0.17 0.00 -1.03 0.00 0.00 54.13 52.71 1sgo s LEU 78 Cb -0.14 -1.73 0.14 0.00 0.03 0.00 0.00 46.19 44.49 1sgo s LEU 78 CO -0.01 0.13 0.81 -0.70 0.23 0.00 0.00 176.35 176.80 1sgo s GLU 79 N 0.61 3.32 -0.35 1.70 2.12 0.87 -0.69 118.70 126.28 1sgo s GLU 79 Ca -0.04 -1.76 -0.27 0.00 0.36 0.00 0.00 54.97 53.26 1sgo s GLU 79 Cb -0.15 -4.46 0.02 0.00 0.26 0.00 0.00 34.13 29.80 1sgo s GLU 79 CO 0.03 -1.51 0.98 -1.17 -0.54 0.00 0.00 175.26 173.05 1sgo s LEU 80 N 1.93 3.96 0.00 2.70 2.96 0.55 -2.30 118.68 128.47 1sgo s LEU 80 Ca 0.18 0.76 0.00 0.00 -0.22 0.00 0.00 54.13 54.85 1sgo s LEU 80 Cb -0.16 -3.37 0.00 0.00 0.50 0.00 0.00 46.19 43.16 1sgo s LEU 80 CO -0.02 -0.87 0.00 0.35 -1.32 0.00 0.00 176.35 174.50 1sgo n THR 81 N 5.95 0.00 0.31 3.68 -2.24 0.22 -0.47 114.28 121.72 1sgo n THR 81 Ca 0.09 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 62.06 1sgo n THR 81 Cb 0.48 0.00 0.91 0.00 -2.10 0.00 0.00 70.33 69.62 1sgo n THR 81 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1sgo h GLU 82 N 0.00 0.00 -0.15 -0.78 4.11 -1.94 -1.47 114.58 114.35 1sgo h GLU 82 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1sgo h GLU 82 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1sgo h GLU 82 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.08 1sgo n ALA 83 N -2.07 2.52 0.00 1.06 0.00 -1.26 -5.04 120.51 115.72 1sgo n ALA 83 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1sgo n ALA 83 Cb 0.19 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 1.19 0.73 3.50 0.00 0.00 -0.56 -4.31 105.19 105.74 1sgo n GLY 84 Ca 0.17 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 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 4.27 -0.07 0.99 1.02 0.84 -0.61 118.68 125.12 1sgo s LEU 85 Ca 0.00 -0.41 0.04 0.00 0.02 0.00 0.00 54.13 53.78 1sgo s LEU 85 Cb 0.00 -2.08 -0.02 0.00 0.02 0.00 0.00 46.19 44.11 1sgo s LEU 85 CO 0.00 -0.19 -0.18 -0.75 0.02 0.00 0.00 176.35 175.25 1sgo s LYS 86 N 1.68 2.69 -0.45 1.70 2.20 -0.97 -2.35 119.74 124.24 1sgo s LYS 86 Ca 0.06 -0.77 -0.25 0.00 -0.36 0.00 0.00 55.97 54.65 1sgo s LYS 86 Cb -0.17 -2.35 0.03 0.00 -1.51 0.00 0.00 37.83 33.82 1sgo s LYS 86 CO 0.09 0.46 0.88 0.08 -0.36 0.00 0.00 175.35 176.50 1sgo s VAL 87 N -0.33 4.54 -1.78 4.02 1.01 -1.26 -0.09 120.40 126.51 1sgo s VAL 87 Ca 0.02 0.70 0.26 0.00 0.00 0.00 0.00 61.98 62.96 1sgo s VAL 87 Cb -0.13 -4.39 0.22 0.00 0.00 0.00 0.00 36.38 32.09 1sgo s VAL 87 CO 0.02 -0.77 1.50 1.33 0.00 0.00 0.00 175.10 177.18 1sgo n VAL 88 N 6.29 0.00 0.00 2.92 0.24 -0.55 -4.63 118.33 122.60 1sgo n VAL 88 Ca 0.05 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1sgo n VAL 88 Cb 0.48 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 1sgo n VAL 88 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sgo n GLY 89 N 1.35 1.62 2.73 7.63 0.00 -1.17 -0.52 105.19 116.84 1sgo n GLY 89 Ca 0.12 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 1sgo n GLY 89 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1sgo n TYR 90 N -0.53 3.48 -3.88 1.61 4.11 -1.26 -0.27 117.16 120.43 1sgo n TYR 90 Ca 0.00 -4.19 -0.03 0.00 -0.00 0.00 0.00 57.90 53.69 1sgo n TYR 90 Cb 0.00 -0.67 0.02 0.00 -0.00 0.00 0.00 39.34 38.69 1sgo n TYR 90 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1sgo n ALA 91 N 1.52 -2.58 -2.63 -3.48 0.00 -0.87 -4.79 120.51 107.68 1sgo n ALA 91 Ca 0.24 -0.96 -0.43 0.00 0.00 0.00 0.00 53.44 52.29 1sgo n ALA 91 Cb 0.37 0.52 -0.05 0.00 0.00 0.00 0.00 19.45 20.30 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 -2.31 2.91 -0.36 0.00 5.36 -1.26 -3.64 117.98 118.68 1sgo s PHE 92 Ca 0.22 -0.03 -0.11 0.00 -0.96 0.00 0.00 56.93 56.05 1sgo s PHE 92 Cb -0.03 -3.82 0.01 0.00 -0.34 0.00 0.00 43.02 38.85 1sgo s PHE 92 CO 0.05 -1.16 0.47 -0.25 -1.46 0.00 0.00 175.22 172.88 1sgo n ASP 93 N 6.95 -6.60 -3.45 6.13 8.00 -1.26 -5.07 116.55 121.25 1sgo n ASP 93 Ca 0.01 0.36 -0.16 0.00 0.71 0.00 0.00 54.79 55.70 1sgo n ASP 93 Cb 0.47 -4.40 -0.12 0.00 -0.02 0.00 0.00 41.12 37.06 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 -2.34 0.24 -0.14 -1.24 2.00 -1.26 -5.13 119.66 111.79 1sgo s GLN 94 Ca 0.17 0.21 0.01 0.00 -2.00 0.00 0.00 55.36 53.75 1sgo s GLN 94 Cb -0.05 -1.00 0.02 0.00 0.80 0.00 0.00 33.01 32.79 1sgo s GLN 94 CO 0.59 -0.71 -0.15 0.08 -0.50 0.00 0.00 175.29 174.61 1sgo s VAL 95 N 2.37 1.59 -0.07 1.34 1.01 -1.26 -3.04 120.40 122.35 1sgo s VAL 95 Ca 0.08 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 1sgo s VAL 95 Cb -0.15 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.76 1sgo s VAL 95 CO -0.16 0.46 0.23 -0.62 0.00 0.00 0.00 175.10 175.01 1sgo s ASP 96 N 1.35 -0.20 0.00 3.32 -1.08 0.32 -5.00 116.67 115.38 1sgo s ASP 96 Ca 0.02 0.32 0.28 0.00 -0.52 0.00 0.00 52.55 52.65 1sgo s ASP 96 Cb -0.13 0.42 1.00 0.00 -1.46 0.00 0.00 42.92 42.75 1sgo s ASP 96 CO -0.09 -0.17 1.72 -0.90 0.52 0.00 0.00 175.17 176.25 1sgo n ASP 97 N 2.51 1.36 -0.94 -0.34 5.75 -1.26 -3.89 116.55 119.75 1sgo n ASP 97 Ca -0.15 -1.35 0.12 0.00 -0.01 0.00 0.00 54.79 53.40 1sgo n ASP 97 Cb 0.58 0.03 0.15 0.00 -1.03 0.00 0.00 41.12 40.84 1sgo n ASP 97 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1sgo n HIS 98 N -0.03 0.05 -2.42 2.11 8.25 -1.26 -4.85 115.22 117.07 1sgo n HIS 98 Ca 0.18 -0.03 -0.43 0.00 -0.26 0.00 0.00 57.72 57.18 1sgo n HIS 98 Cb 0.35 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.94 4.22 -1.30 2.41 1.02 -1.25 -4.94 118.68 116.89 1sgo s LEU 99 Ca 0.30 1.76 -0.13 0.00 0.02 0.00 0.00 54.13 56.07 1sgo s LEU 99 Cb 0.20 -3.54 0.12 0.00 0.02 0.00 0.00 46.19 42.99 1sgo s LEU 99 CO 0.30 -0.71 1.79 0.00 0.02 0.00 0.00 176.35 177.76 1sgo n GLN 100 N 6.13 3.30 -4.60 1.70 1.13 -1.26 -4.93 117.38 118.85 1sgo n GLN 100 Ca 0.13 -3.38 -0.33 0.00 -1.94 0.00 0.00 57.00 51.47 1sgo n GLN 100 Cb 0.45 -3.16 -0.12 0.00 0.11 0.00 0.00 30.24 27.52 1sgo n GLN 100 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1sgo s THR 101 N 2.12 3.57 0.09 5.09 -4.23 -1.26 -5.08 115.64 115.93 1sgo s THR 101 Ca 0.45 -0.50 -0.31 0.00 -1.18 0.00 0.00 61.69 60.16 1sgo s THR 101 Cb 0.06 -2.50 -0.09 0.00 1.34 0.00 0.00 72.50 71.31 1sgo s THR 101 CO 0.00 0.54 1.69 -2.16 -0.54 0.00 0.00 174.62 174.15 1sgo s PRO 102 N -0.13 4.19 0.07 3.99 0.04 -1.26 -4.70 135.00 137.19 1sgo s PRO 102 Ca 0.01 2.39 -0.30 0.00 0.04 0.00 0.00 61.00 63.13 1sgo s PRO 102 Cb -0.13 -3.57 -0.09 0.00 0.04 0.00 0.00 34.50 30.74 1sgo s PRO 102 CO 0.03 -0.75 1.83 0.71 0.04 0.00 0.00 177.00 178.86 1sgo s TYR 103 N 2.58 1.87 -0.06 0.56 1.51 -1.26 -4.81 117.35 117.74 1sgo s TYR 103 Ca 0.75 -0.10 0.00 0.00 -1.01 0.00 0.00 57.07 56.72 1sgo s TYR 103 Cb -0.41 -4.14 -0.03 0.00 -0.11 0.00 0.00 41.96 37.26 1sgo s TYR 103 CO 0.33 -4.85 -0.05 -1.01 -1.11 0.00 0.00 175.55 168.86 1sgo s HIS 104 N 3.45 2.99 0.10 2.71 3.76 -0.99 -4.95 115.29 122.35 1sgo s HIS 104 Ca 0.82 0.06 0.12 0.00 -0.15 0.00 0.00 55.06 55.91 1sgo s HIS 104 Cb -0.43 -1.72 0.17 0.00 1.11 0.00 0.00 32.58 31.72 1sgo s HIS 104 CO 0.37 0.37 1.49 0.93 -0.85 0.00 0.00 174.74 177.05 1sgo h GLU 105 N 5.11 0.00 -5.23 1.40 5.08 -1.89 0.24 114.58 119.29 1sgo h GLU 105 Ca -0.49 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.48 1sgo h GLU 105 Cb 1.18 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.21 1sgo h GLU 105 CO 0.53 0.66 -0.77 0.95 -1.00 0.00 0.00 179.01 179.38 1sgo s THR 106 N -3.16 1.03 0.29 1.13 -4.23 -1.26 -4.68 115.64 104.76 1sgo s THR 106 Ca 0.01 -1.28 0.31 0.00 -1.18 0.00 0.00 61.69 59.55 1sgo s THR 106 Cb 0.10 -1.01 0.33 0.00 1.34 0.00 0.00 72.50 73.26 1sgo s THR 106 CO 0.76 -0.25 2.03 1.62 -0.54 0.00 0.00 174.62 178.24 1sgo h VAL 107 N 4.31 0.32 0.45 2.29 3.04 -1.98 -3.15 116.25 121.53 1sgo h VAL 107 Ca -0.40 -0.58 -0.02 0.00 -1.01 0.00 0.00 66.70 64.69 1sgo h VAL 107 Cb 1.19 1.44 -0.01 0.00 -2.01 0.00 0.00 31.29 31.91 1sgo h VAL 107 CO 0.40 0.09 -0.34 1.88 -1.01 0.00 0.00 177.57 178.60 1sgo h TYR 108 N 0.00 -0.91 0.00 3.17 -1.99 -1.99 0.18 116.97 115.43 1sgo h TYR 108 Ca -0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1sgo h TYR 108 Cb 0.43 0.34 0.00 0.00 2.00 0.00 0.00 36.73 39.50 1sgo h TYR 108 CO 0.00 -0.48 0.00 0.77 -0.00 0.00 0.00 178.16 178.45 1sgo h SER 109 N -0.76 0.00 0.00 3.88 0.02 -2.00 -2.51 113.55 112.18 1sgo h SER 109 Ca -0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1sgo h SER 109 Cb 0.63 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 1sgo h SER 109 CO 0.02 0.00 -0.05 0.25 -1.14 0.00 0.00 176.83 175.91 1sgo h LEU 110 N 0.00 0.00 -2.01 5.07 5.85 -1.45 -3.24 115.31 119.53 1sgo h LEU 110 Ca 0.00 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 1sgo h LEU 110 Cb 0.50 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1sgo h LEU 110 CO 0.00 0.78 -0.10 0.25 -0.34 0.00 0.00 178.44 179.03 1sgo h LEU 111 N -1.00 0.00 -0.90 2.25 5.85 -0.63 -1.02 115.31 119.86 1sgo h LEU 111 Ca -0.01 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 1sgo h LEU 111 Cb 0.54 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1sgo h LEU 111 CO -0.01 0.10 -0.20 -0.78 -0.34 0.00 0.00 178.44 177.21 1sgo h ASP 112 N 0.00 0.58 0.59 1.25 3.58 -1.56 0.22 116.42 121.08 1sgo h ASP 112 Ca -0.00 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.26 1sgo h ASP 112 Cb 0.27 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1sgo h ASP 112 CO 0.01 0.79 0.00 0.35 -2.88 0.00 0.00 179.24 177.51 1sgo n THR 113 N -4.14 0.48 -0.05 2.25 -2.24 -0.39 -3.62 114.28 106.57 1sgo n THR 113 Ca 0.00 0.12 -0.09 0.00 -2.27 0.00 0.00 64.05 61.81 1sgo n THR 113 Cb 0.39 -0.77 -0.04 0.00 -2.10 0.00 0.00 70.33 67.81 1sgo n THR 113 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sgo n LEU 114 N -1.41 2.05 -4.17 3.22 4.77 -0.93 -4.99 117.00 115.53 1sgo n LEU 114 Ca 0.07 0.02 -0.33 0.00 -0.03 0.00 0.00 56.01 55.75 1sgo n LEU 114 Cb 0.21 -0.34 -0.16 0.00 -2.33 0.00 0.00 43.42 40.81 1sgo n LEU 114 CO 0.18 0.48 -0.52 -0.44 -1.33 0.00 0.00 177.39 175.76 1sgo s SER 115 N -5.39 3.26 0.44 -1.43 0.01 0.74 -4.97 113.70 106.36 1sgo s SER 115 Ca -0.14 -0.59 0.29 0.00 1.31 0.00 0.00 55.95 56.82 1sgo s SER 115 Cb 0.04 -1.49 1.08 0.00 0.21 0.00 0.00 66.02 65.86 1sgo s SER 115 CO 0.21 0.04 1.85 1.55 0.41 0.00 0.00 173.24 177.31 1sgo h PRO 116 N 7.62 0.00 0.00 12.44 0.13 -1.85 -2.84 132.00 147.50 1sgo h PRO 116 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1sgo h PRO 116 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1sgo h PRO 116 CO 0.59 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.36 1sgo n ALA 117 N -1.99 1.88 0.07 -0.56 0.00 -1.26 -3.29 120.51 115.35 1sgo n ALA 117 Ca 0.02 -0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.27 1sgo n ALA 117 Cb 0.33 -1.31 -0.08 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.13 0.00 0.00 3.20 -1.75 0.35 116.97 118.65 1sgo h TYR 118 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1sgo h TYR 118 Cb 0.33 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1sgo h TYR 118 CO 0.00 0.11 0.00 0.00 -1.64 0.00 0.00 178.16 176.63 1sgo h ARG 119 N -0.36 0.00 0.29 1.82 3.08 -1.78 0.17 114.38 117.61 1sgo h ARG 119 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1sgo h ARG 119 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1sgo h ARG 119 CO 0.02 0.00 -0.14 0.93 -1.07 0.00 0.00 179.97 179.71 1sgo h GLU 120 N 0.00 -0.38 -0.59 0.04 5.08 -1.50 0.30 114.58 117.52 1sgo h GLU 120 Ca 0.00 0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1sgo h GLU 120 Cb 0.63 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1sgo h GLU 120 CO 0.00 -0.04 0.02 0.00 -1.00 0.00 0.00 179.01 177.99 1sgo h ALA 121 N -0.29 0.92 -0.66 3.43 0.00 -0.78 -0.17 119.26 121.71 1sgo h ALA 121 Ca -0.04 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1sgo h ALA 121 Cb 0.51 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1sgo h ALA 121 CO 0.07 0.65 0.16 0.35 0.00 0.00 0.00 179.25 180.48 1sgo h PHE 122 N 0.93 1.11 -0.81 0.00 3.57 -0.72 -2.62 116.94 118.40 1sgo h PHE 122 Ca 0.17 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1sgo h PHE 122 Cb 0.51 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1sgo h PHE 122 CO 0.03 0.92 0.45 0.78 -2.23 0.00 0.00 178.31 178.26 1sgo h GLY 123 N 0.99 1.20 1.57 2.40 0.00 0.10 -2.21 103.07 107.12 1sgo h GLY 123 Ca 0.21 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1sgo h GLY 123 CO 0.00 0.51 0.29 3.43 0.00 0.00 0.00 176.54 180.77 1sgo h ASN 124 N 1.13 0.50 -0.18 0.19 -0.26 -0.67 0.69 115.58 116.97 1sgo h ASN 124 Ca 0.29 -0.01 -0.12 0.00 -0.56 0.00 0.00 56.30 55.90 1sgo h ASN 124 Cb 0.02 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 1sgo h ASN 124 CO -0.05 0.36 -0.35 0.00 -1.06 0.00 0.00 177.43 176.34 1sgo h ALA 125 N 1.73 0.29 -0.13 -0.83 0.00 -1.16 0.23 119.26 119.38 1sgo h ALA 125 Ca 0.16 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1sgo h ALA 125 Cb -0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1sgo h ALA 125 CO -0.03 0.35 -0.36 -0.07 0.00 0.00 0.00 179.25 179.13 1sgo h LEU 126 N 0.21 0.28 0.40 0.00 4.07 -1.09 0.22 115.31 119.40 1sgo h LEU 126 Ca 0.01 -0.11 -0.02 0.00 0.08 0.00 0.00 57.88 57.84 1sgo h LEU 126 Cb 0.95 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.61 1sgo h LEU 126 CO 0.08 0.62 -0.21 0.25 -1.08 0.00 0.00 178.44 178.10 1sgo h LEU 127 N 0.23 -0.50 -1.39 1.67 7.12 0.57 0.02 115.31 123.04 1sgo h LEU 127 Ca 0.03 0.02 -0.05 0.00 0.13 0.00 0.00 57.88 58.01 1sgo h LEU 127 Cb 0.75 0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 41.01 1sgo h LEU 127 CO 0.06 -0.35 -0.24 1.56 -0.13 0.00 0.00 178.44 179.35 1sgo h GLN 128 N -0.56 0.00 -0.34 1.25 4.20 -0.34 0.37 115.11 119.69 1sgo h GLN 128 Ca -0.05 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1sgo h GLN 128 Cb 0.44 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1sgo h GLN 128 CO 0.08 0.24 0.14 -0.09 -0.67 0.00 0.00 178.83 178.53 1sgo h ARG 129 N 0.00 0.50 -0.08 1.46 9.65 -0.23 -1.57 114.38 124.11 1sgo h ARG 129 Ca -0.00 -0.09 -0.13 0.00 -1.10 0.00 0.00 59.98 58.66 1sgo h ARG 129 Cb 0.62 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 1sgo h ARG 129 CO 0.03 0.49 -0.53 1.25 2.80 0.00 0.00 179.97 184.01 1sgo h LEU 130 N 0.40 0.25 -1.18 3.80 6.46 -0.25 -2.88 115.31 121.92 1sgo h LEU 130 Ca 0.11 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1sgo h LEU 130 Cb 0.17 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 1sgo h LEU 130 CO -0.01 0.74 0.00 -0.08 -0.62 0.00 0.00 178.44 178.47 1sgo h GLU 131 N 0.18 0.00 0.00 1.25 4.81 0.16 0.29 114.58 121.27 1sgo h GLU 131 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1sgo h GLU 131 Cb 0.99 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1sgo h GLU 131 CO 0.08 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.36 1sgo h ALA 132 N 2.14 1.00 0.00 2.92 0.00 -1.07 -2.80 119.26 121.45 1sgo h ALA 132 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1sgo h ALA 132 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1sgo h ALA 132 CO 0.00 0.00 -1.54 1.28 0.00 0.00 0.00 179.25 178.99 1sgo n LEU 133 N -2.80 0.50 0.23 0.00 4.77 0.07 -4.29 117.00 115.49 1sgo n LEU 133 Ca 0.02 0.20 -0.15 0.00 -0.03 0.00 0.00 56.01 56.05 1sgo n LEU 133 Cb 0.35 0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 1sgo n LEU 133 CO 0.27 0.01 0.71 0.11 -1.33 0.00 0.00 177.39 177.16 1sgo h LYS 134 N 0.00 -0.52 -0.62 3.23 1.57 -1.28 -3.25 116.57 115.70 1sgo h LYS 134 Ca -0.09 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1sgo h LYS 134 Cb 1.24 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1sgo h LYS 134 CO 0.01 -0.32 0.00 -2.13 -0.57 0.00 0.00 179.45 176.45 1sgo n ARG 135 N -5.30 2.54 -2.45 3.15 0.63 -1.21 -4.38 116.66 109.65 1sgo n ARG 135 Ca -0.11 -1.50 -0.40 0.00 -0.92 0.00 0.00 57.85 54.92 1sgo n ARG 135 Cb 0.24 -1.65 -0.03 0.00 0.45 0.00 0.00 32.46 31.47 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 -0.64 6.02 0.00 6.15 2.15 -1.23 -3.66 116.67 125.46 1sgo s ASP 136 Ca 0.27 -0.43 0.00 0.00 0.43 0.00 0.00 52.55 52.82 1sgo s ASP 136 Cb 0.18 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1sgo s ASP 136 CO 0.12 -1.92 0.00 0.61 -0.17 0.00 0.00 175.17 173.81 1sgo n GLY 137 N 5.64 2.02 3.44 2.66 0.00 -1.26 -4.96 105.19 112.73 1sgo n GLY 137 Ca 0.10 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 1sgo n GLY 137 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sgo s GLN 138 N 0.00 1.00 0.00 1.61 -2.07 -1.24 -5.26 119.66 113.70 1sgo s GLN 138 Ca 0.00 0.04 0.29 0.00 -1.82 0.00 0.00 55.36 53.87 1sgo s GLN 138 Cb 0.00 0.46 1.27 0.00 -1.09 0.00 0.00 33.01 33.65 1sgo s GLN 138 CO 0.00 -0.33 1.87 0.45 -1.32 0.00 0.00 175.29 175.96