#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgo s GLU 2 N 0.00 2.14 -0.32 2.12 2.02 -1.26 -5.06 118.70 118.34 1sgo s GLU 2 Ca 0.00 -2.37 -0.28 0.00 0.02 0.00 0.00 54.97 52.35 1sgo s GLU 2 Cb 0.00 -1.10 -0.04 0.00 0.10 0.00 0.00 34.13 33.08 1sgo s GLU 2 CO 0.00 -0.47 2.13 0.95 0.02 0.00 0.00 175.26 177.88 1sgo s THR 3 N -3.02 3.15 -1.10 3.63 -4.23 -1.26 -4.86 115.64 107.96 1sgo s THR 3 Ca 0.09 0.14 -0.21 0.00 -1.18 0.00 0.00 61.69 60.53 1sgo s THR 3 Cb 0.01 -3.23 0.06 0.00 1.34 0.00 0.00 72.50 70.68 1sgo s THR 3 CO 0.07 -0.16 1.51 -0.62 -0.54 0.00 0.00 174.62 174.87 1sgo s ASP 4 N 8.41 6.61 -0.52 3.99 2.15 -1.26 -4.83 116.67 131.22 1sgo s ASP 4 Ca 0.93 -1.79 0.04 0.00 0.43 0.00 0.00 52.55 52.15 1sgo s ASP 4 Cb -0.26 -2.56 0.16 0.00 -0.30 0.00 0.00 42.92 39.95 1sgo s ASP 4 CO 0.32 -1.37 0.36 0.00 -0.17 0.00 0.00 175.17 174.30 1sgo s ASN 6 N -0.35 -1.17 -0.03 0.00 3.84 -1.26 -4.98 114.94 110.98 1sgo s ASN 6 Ca 0.25 -0.36 0.11 0.00 0.21 0.00 0.00 52.86 53.07 1sgo s ASN 6 Cb -0.09 1.80 0.39 0.00 -0.55 0.00 0.00 41.25 42.80 1sgo s ASN 6 CO -0.12 -0.26 1.27 -0.81 -2.79 0.00 0.00 177.10 174.40 1sgo n PRO 7 N 4.97 2.28 0.00 0.43 -0.04 -1.26 -4.91 135.00 136.46 1sgo n PRO 7 Ca 0.07 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.98 1sgo n PRO 7 Cb 0.54 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1sgo n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sgo n MET 8 N 0.61 0.70 -3.90 0.54 0.00 -1.26 -5.18 117.12 108.62 1sgo n MET 8 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.75 1sgo n MET 8 Cb 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.59 1sgo n MET 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1sgo s GLU 9 N 1.37 0.67 -0.16 3.17 -1.05 -1.26 -5.05 118.70 116.39 1sgo s GLU 9 Ca 0.00 -0.78 -0.12 0.00 -0.15 0.00 0.00 54.97 53.92 1sgo s GLU 9 Cb 0.00 0.27 -0.06 0.00 -0.44 0.00 0.00 34.13 33.90 1sgo s GLU 9 CO 0.00 -0.18 -0.16 -0.11 0.95 0.00 0.00 175.26 175.75 1sgo n LEU 10 N 0.56 1.84 -2.78 1.83 7.94 -1.26 -4.90 117.00 120.23 1sgo n LEU 10 Ca -0.18 0.55 -0.04 0.00 -1.11 0.00 0.00 56.01 55.23 1sgo n LEU 10 Cb 0.59 -0.86 0.01 0.00 0.53 0.00 0.00 43.42 43.69 1sgo n LEU 10 CO 0.23 -0.31 0.15 -0.44 -1.11 0.00 0.00 177.39 175.91 1sgo s SER 11 N -5.97 -1.36 -0.19 1.96 0.01 -1.26 -5.03 113.70 101.86 1sgo s SER 11 Ca -0.20 -1.58 0.12 0.00 1.31 0.00 0.00 55.95 55.61 1sgo s SER 11 Cb 0.03 1.78 0.41 0.00 0.21 0.00 0.00 66.02 68.45 1sgo s SER 11 CO 0.31 -0.05 1.21 -1.20 0.41 0.00 0.00 173.24 173.92 1sgo n SER 12 N 2.99 1.72 -4.67 2.44 7.64 -1.26 -5.04 113.62 117.44 1sgo n SER 12 Ca 0.17 -3.75 -0.48 0.00 1.01 0.00 0.00 58.87 55.82 1sgo n SER 12 Cb 0.57 -0.51 -0.05 0.00 -1.01 0.00 0.00 64.21 63.21 1sgo n SER 12 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1sgo n MET 13 N -1.07 2.06 -3.44 1.43 2.81 -1.26 -4.96 117.12 112.69 1sgo n MET 13 Ca 0.18 0.75 -0.19 0.00 -1.81 0.00 0.00 57.70 56.63 1sgo n MET 13 Cb 0.71 -2.55 -0.11 0.00 -0.71 0.00 0.00 33.22 30.56 1sgo n MET 13 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1sgo s SER 14 N 2.61 1.84 -0.20 7.83 1.04 -1.26 -5.11 113.70 120.44 1sgo s SER 14 Ca 0.87 -0.67 -0.05 0.00 0.48 0.00 0.00 55.95 56.58 1sgo s SER 14 Cb -0.72 0.36 0.10 0.00 0.10 0.00 0.00 66.02 65.86 1sgo s SER 14 CO 0.47 -0.38 0.37 -0.83 0.98 0.00 0.00 173.24 173.85 1sgo s GLY 15 N 2.32 -0.32 0.00 7.32 0.00 -1.26 -5.01 107.32 110.37 1sgo s GLY 15 Ca 0.09 1.12 0.00 0.00 0.00 0.00 0.00 44.72 45.93 1sgo s GLY 15 CO -0.28 2.42 0.72 1.97 0.00 0.00 0.00 173.10 177.93 1sgo n PHE 16 N 5.37 0.00 0.08 1.90 -1.74 -1.26 -4.86 117.46 116.95 1sgo n PHE 16 Ca -0.06 0.00 0.03 0.00 -0.56 0.00 0.00 57.45 56.86 1sgo n PHE 16 Cb 0.50 0.06 0.19 0.00 1.52 0.00 0.00 39.48 41.75 1sgo n PHE 16 CO 0.00 0.00 0.00 -0.85 -0.56 0.00 0.00 176.76 175.35 1sgo n GLU 17 N 0.00 2.81 -1.70 3.97 0.00 -1.26 -4.91 120.64 119.55 1sgo n GLU 17 Ca 0.00 -1.51 -0.44 0.00 0.00 0.00 0.00 57.16 55.21 1sgo n GLU 17 Cb 0.60 -1.85 -0.03 0.00 0.00 0.00 0.00 31.44 30.16 1sgo n GLU 17 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1sgo n GLU 18 N 0.27 2.34 0.00 3.44 2.13 -1.26 -1.00 120.64 126.56 1sgo n GLU 18 Ca 0.14 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.80 1sgo n GLU 18 Cb 0.73 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.86 1sgo n GLU 18 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sgo n GLY 19 N 2.60 2.92 1.49 8.31 0.00 -1.26 -4.79 105.19 114.45 1sgo n GLY 19 Ca 0.12 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 0.22 4.40 -1.11 1.61 7.64 -0.17 -4.37 113.62 121.84 1sgo n SER 20 Ca 0.00 -2.43 0.03 0.00 1.01 0.00 0.00 58.87 57.48 1sgo n SER 20 Cb 0.00 -0.56 0.18 0.00 -1.01 0.00 0.00 64.21 62.82 1sgo n SER 20 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1sgo n GLU 21 N 0.98 2.71 -2.63 1.43 0.28 -1.22 -4.75 120.64 117.44 1sgo n GLU 21 Ca 0.23 -1.38 -0.42 0.00 -0.16 0.00 0.00 57.16 55.44 1sgo n GLU 21 Cb 0.83 -1.83 -0.02 0.00 1.43 0.00 0.00 31.44 31.85 1sgo n GLU 21 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1sgo s LEU 22 N -1.20 3.87 0.00 -1.84 1.43 -1.26 -4.64 118.68 115.03 1sgo s LEU 22 Ca 0.24 -1.95 0.00 0.00 -1.03 0.00 0.00 54.13 51.39 1sgo s LEU 22 Cb 0.18 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.86 1sgo s LEU 22 CO 0.07 -1.30 0.00 -3.20 0.23 0.00 0.00 176.35 172.15 1sgo n ASN 23 N 8.29 0.00 -0.56 2.29 4.05 -1.26 -4.24 115.26 123.83 1sgo n ASN 23 Ca 0.38 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.41 1sgo n ASN 23 Cb 0.49 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.50 1sgo n ASN 23 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1sgo n GLY 24 N 0.00 0.78 3.51 8.20 0.00 -1.26 -5.04 105.19 111.38 1sgo n GLY 24 Ca 0.00 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.75 3.18 -0.46 1.61 5.36 -1.26 -5.03 117.98 118.63 1sgo s PHE 25 Ca 0.00 -0.23 -0.17 0.00 -0.96 0.00 0.00 56.93 55.57 1sgo s PHE 25 Cb 0.00 -2.85 0.05 0.00 -0.34 0.00 0.00 43.02 39.88 1sgo s PHE 25 CO 0.00 -0.62 0.46 -2.00 -1.46 0.00 0.00 175.22 171.59 1sgo s GLU 26 N 2.14 3.05 -0.19 10.12 2.56 -1.26 -4.88 118.70 130.25 1sgo s GLU 26 Ca 0.13 -1.00 0.17 0.00 0.00 0.00 0.00 54.97 54.27 1sgo s GLU 26 Cb -0.17 -4.05 -0.24 0.00 2.00 0.00 0.00 34.13 31.67 1sgo s GLU 26 CO 0.13 -0.99 0.06 0.41 -0.56 0.00 0.00 175.26 174.32 1sgo n GLY 27 N 5.16 -0.95 2.28 -1.50 0.00 -1.26 -5.08 105.19 103.84 1sgo n GLY 27 Ca -0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 1sgo n GLY 27 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sgo n THR 28 N -2.73 -8.99 0.01 2.61 -1.04 -1.26 -5.03 114.28 97.86 1sgo n THR 28 Ca -0.32 1.44 -0.01 0.00 -2.04 0.00 0.00 64.05 63.12 1sgo n THR 28 Cb 1.13 -5.81 -0.00 0.00 -1.82 0.00 0.00 70.33 63.82 1sgo n THR 28 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 1sgo h ASP 29 N 2.25 -0.05 0.00 8.00 2.03 -2.01 -3.47 116.42 123.16 1sgo h ASP 29 Ca -0.13 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.17 1sgo h ASP 29 Cb 0.29 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.80 1sgo h ASP 29 CO 0.05 0.06 0.00 0.23 -1.03 0.00 0.00 179.24 178.55 1sgo n MET 30 N -2.72 0.00 -3.68 4.15 2.81 -1.26 -4.59 117.12 111.84 1sgo n MET 30 Ca -0.01 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.77 1sgo n MET 30 Cb 0.02 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.41 1sgo n MET 30 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1sgo s LYS 31 N 0.00 0.23 0.10 0.03 2.47 -1.26 -5.14 119.74 116.17 1sgo s LYS 31 Ca 0.00 0.78 -0.25 0.00 -1.56 0.00 0.00 55.97 54.93 1sgo s LYS 31 Cb 0.00 0.03 -0.06 0.00 -1.46 0.00 0.00 37.83 36.34 1sgo s LYS 31 CO 0.00 -0.24 0.78 -0.51 0.16 0.00 0.00 175.35 175.55 1sgo s ASP 32 N 2.09 7.30 0.42 1.43 1.01 -1.26 -4.61 116.67 123.05 1sgo s ASP 32 Ca -0.03 1.55 0.22 0.00 0.71 0.00 0.00 52.55 55.00 1sgo s ASP 32 Cb -0.11 -2.49 0.84 0.00 1.01 0.00 0.00 42.92 42.17 1sgo s ASP 32 CO -0.10 0.09 1.80 -0.03 0.21 0.00 0.00 175.17 177.13 1sgo h MET 33 N 5.13 0.00 -0.91 8.23 4.05 -0.53 -2.98 114.93 127.92 1sgo h MET 33 Ca -0.45 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.06 1sgo h MET 33 Cb 1.21 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.94 1sgo h MET 33 CO 0.69 0.27 0.59 0.00 0.23 0.00 0.00 176.91 178.69 1sgo h ARG 34 N 0.00 0.92 0.62 0.39 2.47 -1.84 0.15 114.38 117.09 1sgo h ARG 34 Ca -0.00 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.63 1sgo h ARG 34 Cb 0.79 -0.21 0.01 0.00 -1.65 0.00 0.00 29.97 28.91 1sgo h ARG 34 CO 0.03 0.61 -0.30 -0.07 0.56 0.00 0.00 179.97 180.81 1sgo h LEU 35 N 0.95 -0.70 -1.56 3.04 3.38 -1.84 -0.33 115.31 118.25 1sgo h LEU 35 Ca 0.42 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.33 1sgo h LEU 35 Cb 0.35 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1sgo h LEU 35 CO -0.18 -0.41 -0.16 -0.33 0.09 0.00 0.00 178.44 177.45 1sgo h GLU 36 N -0.98 0.00 0.14 1.13 5.08 -1.65 -1.53 114.58 116.78 1sgo h GLU 36 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1sgo h GLU 36 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1sgo h GLU 36 CO 0.14 0.16 -0.07 0.00 -1.00 0.00 0.00 179.01 178.24 1sgo h ALA 37 N 1.84 -0.19 -0.10 3.43 0.00 -0.31 -1.61 119.26 122.32 1sgo h ALA 37 Ca -0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1sgo h ALA 37 Cb 0.52 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1sgo h ALA 37 CO 0.02 -0.46 -0.26 0.93 0.00 0.00 0.00 179.25 179.48 1sgo h GLU 38 N -0.49 0.17 -0.41 0.00 5.08 -0.83 -0.98 114.58 117.12 1sgo h GLU 38 Ca -0.02 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1sgo h GLU 38 Cb 0.39 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1sgo h GLU 38 CO 0.03 0.43 0.26 0.00 -1.00 0.00 0.00 179.01 178.73 1sgo h ALA 39 N 1.58 0.52 -0.24 3.43 0.00 -1.16 -0.74 119.26 122.65 1sgo h ALA 39 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1sgo h ALA 39 Cb 0.55 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1sgo h ALA 39 CO 0.04 -0.05 0.10 0.28 0.00 0.00 0.00 179.25 179.63 1sgo h VAL 40 N 0.53 1.15 -0.53 0.00 2.07 -0.75 -1.99 116.25 116.74 1sgo h VAL 40 Ca 0.15 -0.46 0.09 0.00 0.82 0.00 0.00 66.70 67.31 1sgo h VAL 40 Cb -0.04 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 1sgo h VAL 40 CO -0.05 0.15 0.13 0.58 0.02 0.00 0.00 177.57 178.41 1sgo h VAL 41 N 0.24 0.72 -0.12 2.57 2.07 -0.88 -0.39 116.25 120.46 1sgo h VAL 41 Ca 0.08 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1sgo h VAL 41 Cb 0.15 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1sgo h VAL 41 CO -0.01 0.05 0.00 0.59 0.02 0.00 0.00 177.57 178.22 1sgo n ASN 42 N -5.09 1.12 -0.13 0.57 3.02 -0.31 -2.64 115.26 111.81 1sgo n ASN 42 Ca 0.07 -1.64 -0.26 0.00 -0.03 0.00 0.00 54.58 52.71 1sgo n ASN 42 Cb 0.26 -0.08 -0.09 0.00 -0.61 0.00 0.00 39.78 39.26 1sgo n ASN 42 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1sgo n ASP 43 N -0.03 1.83 -1.39 6.41 2.03 -0.26 -4.62 116.55 120.52 1sgo n ASP 43 Ca 0.15 0.32 0.08 0.00 0.52 0.00 0.00 54.79 55.86 1sgo n ASP 43 Cb 0.24 -0.76 0.33 0.00 -0.72 0.00 0.00 41.12 40.20 1sgo n ASP 43 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1sgo n VAL 44 N -4.18 2.18 -0.29 5.18 0.24 -0.59 -4.60 118.33 116.26 1sgo n VAL 44 Ca -0.48 -1.44 0.14 0.00 -2.04 0.00 0.00 64.34 60.52 1sgo n VAL 44 Cb 0.83 -0.07 0.40 0.00 -1.47 0.00 0.00 33.84 33.53 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 3.22 0.62 -0.37 1.34 5.85 -1.70 -0.14 115.31 124.12 1sgo h LEU 45 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1sgo h LEU 45 Cb 1.55 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.51 1sgo h LEU 45 CO 0.29 0.28 0.00 2.22 -0.34 0.00 0.00 178.44 180.88 1sgo n PHE 46 N -4.59 0.86 0.17 1.25 1.16 -1.26 -2.76 117.46 112.28 1sgo n PHE 46 Ca 0.19 0.30 0.05 0.00 -1.87 0.00 0.00 57.45 56.12 1sgo n PHE 46 Cb 0.56 -0.98 0.17 0.00 -1.61 0.00 0.00 39.48 37.62 1sgo n PHE 46 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1sgo h ALA 47 N 2.39 0.81 -3.56 1.98 0.00 -1.37 -3.46 119.26 116.05 1sgo h ALA 47 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1sgo h ALA 47 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1sgo h ALA 47 CO 0.00 0.50 0.00 1.33 0.00 0.00 0.00 179.25 181.08 1sgo n VAL 48 N -3.30 0.00 0.00 0.00 0.24 -1.11 -4.47 118.33 109.69 1sgo n VAL 48 Ca 0.01 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.24 1sgo n VAL 48 Cb 0.62 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.94 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 -0.11 -4.71 -1.34 2.35 -0.73 -3.44 115.58 107.61 1sgo h ASN 49 Ca 0.00 -0.34 0.07 0.00 -0.55 0.00 0.00 56.30 55.47 1sgo h ASN 49 Cb 0.00 0.03 -0.15 0.00 0.05 0.00 0.00 38.32 38.25 1sgo h ASN 49 CO 0.00 0.51 0.41 0.54 -1.65 0.00 0.00 177.43 177.25 1sgo s ASN 50 N -5.61 -0.43 0.00 5.81 4.22 -1.05 -4.93 114.94 112.95 1sgo s ASN 50 Ca -0.09 0.07 0.04 0.00 -2.14 0.00 0.00 52.86 50.74 1sgo s ASN 50 Cb -0.00 0.44 -0.01 0.00 1.28 0.00 0.00 41.25 42.95 1sgo s ASN 50 CO 0.34 -0.68 -0.13 -0.04 -2.04 0.00 0.00 177.10 174.54 1sgo s MET 51 N -3.02 1.01 -0.06 3.55 -1.94 -1.26 -0.88 119.30 116.71 1sgo s MET 51 Ca 0.03 -0.52 -0.02 0.00 -1.71 0.00 0.00 55.69 53.46 1sgo s MET 51 Cb -0.01 -0.99 0.04 0.00 2.01 0.00 0.00 34.83 35.88 1sgo s MET 51 CO -0.08 0.27 0.12 0.12 -0.01 0.00 0.00 175.02 175.44 1sgo s PHE 52 N -0.42 -0.13 0.17 -0.03 5.36 0.09 -4.99 117.98 118.04 1sgo s PHE 52 Ca 0.04 0.42 -0.30 0.00 -0.96 0.00 0.00 56.93 56.13 1sgo s PHE 52 Cb -0.06 -0.11 -0.08 0.00 -0.34 0.00 0.00 43.02 42.43 1sgo s PHE 52 CO -0.00 -0.15 1.33 0.14 -1.46 0.00 0.00 175.22 175.07 1sgo s VAL 53 N 1.16 3.25 0.43 3.12 -7.23 -1.26 -0.16 120.40 119.70 1sgo s VAL 53 Ca -0.09 0.99 -0.26 0.00 -1.81 0.00 0.00 61.98 60.81 1sgo s VAL 53 Cb -0.12 -3.63 -0.08 0.00 0.56 0.00 0.00 36.38 33.11 1sgo s VAL 53 CO -0.05 0.13 1.36 -0.44 -0.31 0.00 0.00 175.10 175.78 1sgo s SER 54 N 0.57 6.10 0.00 4.85 0.01 0.54 -4.87 113.70 120.90 1sgo s SER 54 Ca 0.59 2.77 0.00 0.00 1.31 0.00 0.00 55.95 60.62 1sgo s SER 54 Cb -0.36 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.22 1sgo s SER 54 CO 0.36 -1.01 0.72 1.17 0.41 0.00 0.00 173.24 174.89 1sgo n LYS 55 N -0.04 1.21 -0.00 12.44 4.81 -1.26 -4.66 118.16 130.67 1sgo n LYS 55 Ca 0.04 -0.97 0.06 0.00 -0.87 0.00 0.00 58.31 56.57 1sgo n LYS 55 Cb 0.43 -0.91 0.05 0.00 0.02 0.00 0.00 35.03 34.62 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 -0.25 2.04 0.00 3.14 7.64 -1.26 -4.90 113.62 120.02 1sgo n SER 56 Ca 0.00 -1.52 0.00 0.00 1.01 0.00 0.00 58.87 58.36 1sgo n SER 56 Cb 0.20 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 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 0.69 0.00 -3.53 -3.43 4.32 -1.26 -5.17 117.00 108.63 1sgo n LEU 57 Ca 0.07 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.99 1sgo n LEU 57 Cb 0.31 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.09 1sgo n LEU 57 CO 0.08 0.00 0.77 0.00 -1.22 0.00 0.00 177.39 177.02 1sgo s ARG 58 N 0.33 0.68 0.00 3.23 1.70 -1.26 -5.17 118.95 118.46 1sgo s ARG 58 Ca 0.00 -0.23 0.00 0.00 -0.47 0.00 0.00 55.73 55.03 1sgo s ARG 58 Cb 0.00 0.31 0.00 0.00 -0.57 0.00 0.00 34.95 34.69 1sgo s ARG 58 CO 0.00 -0.29 0.00 0.00 -1.08 0.00 0.00 175.30 173.93 1sgo n ALA 60 N -0.16 0.00 0.02 0.00 0.00 -0.56 -5.00 120.51 114.80 1sgo n ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sgo n ALA 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.67 0.28 0.07 0.00 5.75 -1.26 -1.57 116.55 119.15 1sgo n ASP 61 Ca 0.00 0.05 -0.23 0.00 -0.01 0.00 0.00 54.79 54.60 1sgo n ASP 61 Cb 0.00 -0.07 -0.15 0.00 -1.03 0.00 0.00 41.12 39.87 1sgo n ASP 61 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1sgo h ASP 62 N 0.00 0.60 -3.81 -1.12 3.32 -1.94 -2.05 116.42 111.43 1sgo h ASP 62 Ca 0.00 -0.92 -0.69 0.00 0.02 0.00 0.00 57.03 55.44 1sgo h ASP 62 Cb 0.65 -0.20 -0.21 0.00 0.22 0.00 0.00 39.33 39.80 1sgo h ASP 62 CO 0.00 1.69 -0.72 0.54 -1.72 0.00 0.00 179.24 179.03 1sgo s VAL 63 N -2.54 3.45 -0.25 -1.35 0.11 -1.26 -4.32 120.40 114.24 1sgo s VAL 63 Ca -0.15 -0.58 -0.03 0.00 -2.93 0.00 0.00 61.98 58.29 1sgo s VAL 63 Cb 0.04 -2.39 0.14 0.00 -1.53 0.00 0.00 36.38 32.64 1sgo s VAL 63 CO 0.85 0.60 0.42 0.00 -3.33 0.00 0.00 175.10 173.64 1sgo s ALA 64 N -0.77 -1.29 -0.04 1.54 0.00 -0.74 -1.50 121.76 118.96 1sgo s ALA 64 Ca 0.12 1.13 -0.24 0.00 0.00 0.00 0.00 51.96 52.97 1sgo s ALA 64 Cb -0.11 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 1sgo s ALA 64 CO 0.01 -1.22 0.72 0.71 0.00 0.00 0.00 175.76 175.98 1sgo s TYR 65 N 2.60 3.61 -0.06 0.00 2.02 -1.25 -0.41 117.35 123.87 1sgo s TYR 65 Ca 0.12 1.31 0.03 0.00 -0.37 0.00 0.00 57.07 58.16 1sgo s TYR 65 Cb -0.15 -2.82 0.00 0.00 -0.40 0.00 0.00 41.96 38.60 1sgo s TYR 65 CO -0.16 0.12 -0.15 0.42 -1.57 0.00 0.00 175.55 174.21 1sgo s ILE 66 N 0.65 1.33 -0.27 2.71 1.01 0.26 -0.34 121.20 126.54 1sgo s ILE 66 Ca 0.38 -0.62 -0.13 0.00 0.00 0.00 0.00 60.65 60.28 1sgo s ILE 66 Cb -0.18 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 1sgo s ILE 66 CO 0.19 0.39 0.28 0.20 0.00 0.00 0.00 174.94 176.00 1sgo s ASN 67 N 0.37 6.14 -0.19 3.58 -0.87 0.77 -0.28 114.94 124.45 1sgo s ASN 67 Ca -0.10 0.14 -0.03 0.00 -1.57 0.00 0.00 52.86 51.30 1sgo s ASN 67 Cb -0.14 -2.16 -0.01 0.00 -0.02 0.00 0.00 41.25 38.91 1sgo s ASN 67 CO 0.04 -0.11 -0.07 0.54 -2.57 0.00 0.00 177.10 174.93 1sgo s VAL 68 N 1.88 3.34 -0.30 1.60 0.11 -0.55 -0.73 120.40 125.75 1sgo s VAL 68 Ca 0.11 -0.52 -0.08 0.00 -2.93 0.00 0.00 61.98 58.56 1sgo s VAL 68 Cb -0.16 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.21 1sgo s VAL 68 CO 0.10 0.46 0.10 -0.70 -3.33 0.00 0.00 175.10 171.74 1sgo s GLU 69 N 1.05 3.21 0.81 1.54 2.56 -0.06 -1.62 118.70 126.20 1sgo s GLU 69 Ca 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 54.97 54.07 1sgo s GLU 69 Cb -0.15 -3.43 0.08 0.00 2.00 0.00 0.00 34.13 32.63 1sgo s GLU 69 CO -0.01 -0.42 1.18 0.95 -0.56 0.00 0.00 175.26 176.41 1sgo s THR 70 N 1.55 2.00 0.06 -1.70 -4.23 -1.21 -0.19 115.64 111.92 1sgo s THR 70 Ca 0.04 0.00 0.32 0.00 -1.18 0.00 0.00 61.69 60.87 1sgo s THR 70 Cb -0.17 -2.99 0.35 0.00 1.34 0.00 0.00 72.50 71.02 1sgo s THR 70 CO 0.04 0.00 1.97 0.11 -0.54 0.00 0.00 174.62 176.20 1sgo h LYS 71 N -1.08 0.00 -0.01 3.99 1.57 -1.84 -1.36 116.57 117.85 1sgo h LYS 71 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1sgo h LYS 71 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1sgo h LYS 71 CO 0.66 0.00 -0.27 -1.91 -0.57 0.00 0.00 179.45 177.36 1sgo n GLU 72 N -2.76 0.61 -1.54 3.15 2.13 -1.26 -4.90 120.64 116.08 1sgo n GLU 72 Ca -0.00 -0.33 -0.07 0.00 0.66 0.00 0.00 57.16 57.42 1sgo n GLU 72 Cb 0.19 -1.49 -0.02 0.00 0.27 0.00 0.00 31.44 30.38 1sgo n GLU 72 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1sgo n ARG 73 N -0.91 -0.53 -3.47 5.31 3.00 -0.51 -5.00 116.66 114.55 1sgo n ARG 73 Ca 0.11 0.61 -0.43 0.00 -0.00 0.00 0.00 57.85 58.14 1sgo n ARG 73 Cb 0.33 -4.45 -0.09 0.00 0.00 0.00 0.00 32.46 28.25 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 -2.84 5.98 0.10 6.15 2.47 -1.26 -4.90 114.94 120.63 1sgo s ASN 74 Ca 0.00 -1.34 0.05 0.00 0.42 0.00 0.00 52.86 51.99 1sgo s ASN 74 Cb 0.00 -2.12 -0.04 0.00 -1.45 0.00 0.00 41.25 37.64 1sgo s ASN 74 CO 0.00 -0.59 0.02 0.00 -3.72 0.00 0.00 177.10 172.81 1sgo s ARG 75 N 1.58 2.60 0.05 0.43 3.03 -1.26 -3.33 118.95 122.04 1sgo s ARG 75 Ca 0.04 -0.84 0.03 0.00 2.03 0.00 0.00 55.73 56.99 1sgo s ARG 75 Cb -0.23 -2.56 -0.03 0.00 -1.03 0.00 0.00 34.95 31.10 1sgo s ARG 75 CO 0.05 0.53 -0.10 0.71 -1.13 0.00 0.00 175.30 175.37 1sgo s TYR 76 N -1.37 0.88 -0.26 5.89 1.51 -0.64 -3.77 117.35 119.60 1sgo s TYR 76 Ca 0.27 -0.47 -0.10 0.00 -1.01 0.00 0.00 57.07 55.75 1sgo s TYR 76 Cb -0.12 -0.51 -0.05 0.00 -0.11 0.00 0.00 41.96 41.18 1sgo s TYR 76 CO 0.19 -0.03 0.16 0.00 -1.11 0.00 0.00 175.55 174.76 1sgo s LEU 78 N 1.40 3.45 -0.48 0.00 1.43 0.61 -0.29 118.68 124.80 1sgo s LEU 78 Ca 0.07 -0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 52.94 1sgo s LEU 78 Cb -0.15 -1.84 0.04 0.00 0.03 0.00 0.00 46.19 44.28 1sgo s LEU 78 CO 0.07 0.19 0.63 -0.70 0.23 0.00 0.00 176.35 176.77 1sgo s GLU 79 N 0.23 3.17 -0.41 1.70 2.56 0.68 -0.58 118.70 126.06 1sgo s GLU 79 Ca -0.00 -0.70 -0.20 0.00 0.00 0.00 0.00 54.97 54.07 1sgo s GLU 79 Cb -0.13 -4.04 0.01 0.00 2.00 0.00 0.00 34.13 31.97 1sgo s GLU 79 CO 0.02 -1.14 0.59 -1.17 -0.56 0.00 0.00 175.26 173.00 1sgo s LEU 80 N 2.70 4.48 0.00 2.70 2.96 0.46 -1.41 118.68 130.57 1sgo s LEU 80 Ca 0.18 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1sgo s LEU 80 Cb -0.17 -2.66 0.00 0.00 0.50 0.00 0.00 46.19 43.86 1sgo s LEU 80 CO 0.14 -0.66 0.00 0.35 -1.32 0.00 0.00 176.35 174.86 1sgo n THR 81 N 5.67 0.00 0.82 3.68 -2.24 -0.70 -1.80 114.28 119.72 1sgo n THR 81 Ca -0.03 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.86 1sgo n THR 81 Cb 0.48 0.00 0.50 0.00 -2.10 0.00 0.00 70.33 69.22 1sgo n THR 81 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sgo n GLU 82 N 0.00 0.01 0.00 -0.78 1.02 -1.26 -1.94 120.64 117.69 1sgo n GLU 82 Ca 0.00 0.09 0.14 0.00 -0.02 0.00 0.00 57.16 57.37 1sgo n GLU 82 Cb 0.00 -1.50 0.52 0.00 -0.02 0.00 0.00 31.44 30.44 1sgo n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sgo n ALA 83 N -1.49 2.86 0.00 0.62 0.00 -1.26 -5.04 120.51 116.19 1sgo n ALA 83 Ca 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1sgo n ALA 83 Cb 0.27 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 1.28 0.29 3.41 0.00 0.00 -0.82 -4.68 105.19 104.68 1sgo n GLY 84 Ca 0.14 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 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 4.84 -0.31 0.99 1.02 0.19 -1.71 118.68 123.70 1sgo s LEU 85 Ca 0.00 -0.95 -0.03 0.00 0.02 0.00 0.00 54.13 53.17 1sgo s LEU 85 Cb 0.00 -2.07 0.05 0.00 0.02 0.00 0.00 46.19 44.19 1sgo s LEU 85 CO 0.00 -0.40 0.02 -0.75 0.02 0.00 0.00 176.35 175.24 1sgo s LYS 86 N 1.60 2.49 0.10 1.70 2.36 -0.50 -1.71 119.74 125.78 1sgo s LYS 86 Ca 0.03 -1.23 -0.31 0.00 -2.55 0.00 0.00 55.97 51.91 1sgo s LYS 86 Cb -0.19 -3.23 -0.08 0.00 -1.05 0.00 0.00 37.83 33.28 1sgo s LYS 86 CO 0.08 -0.62 1.52 0.54 1.55 0.00 0.00 175.35 178.42 1sgo s VAL 87 N 1.29 3.09 0.00 4.02 0.11 -1.26 -0.23 120.40 127.42 1sgo s VAL 87 Ca -0.04 0.68 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 1sgo s VAL 87 Cb -0.20 -3.44 0.00 0.00 -1.53 0.00 0.00 36.38 31.22 1sgo s VAL 87 CO -0.00 0.03 0.64 1.33 -3.33 0.00 0.00 175.10 173.77 1sgo n VAL 88 N 4.31 0.36 -3.57 2.04 0.24 0.60 -4.70 118.33 117.60 1sgo n VAL 88 Ca 0.14 -0.62 -0.06 0.00 -2.04 0.00 0.00 64.34 61.76 1sgo n VAL 88 Cb 0.41 0.89 -0.02 0.00 -1.47 0.00 0.00 33.84 33.65 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 -0.36 -0.32 -0.13 7.63 0.00 -1.21 -0.06 107.32 112.88 1sgo s GLY 89 Ca 0.00 1.55 0.16 0.00 0.00 0.00 0.00 44.72 46.42 1sgo s GLY 89 CO 0.00 0.55 1.28 -1.72 0.00 0.00 0.00 173.10 173.21 1sgo n TYR 90 N -0.03 0.50 -4.04 1.90 4.02 -1.26 -0.99 117.16 117.26 1sgo n TYR 90 Ca -0.03 -0.85 -0.09 0.00 -0.01 0.00 0.00 57.90 56.92 1sgo n TYR 90 Cb 0.59 -0.21 -0.09 0.00 -0.02 0.00 0.00 39.34 39.61 1sgo n TYR 90 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sgo s ALA 91 N -2.52 0.40 0.12 -0.72 0.00 -1.25 -4.52 121.76 113.28 1sgo s ALA 91 Ca 0.34 -1.13 -0.31 0.00 0.00 0.00 0.00 51.96 50.85 1sgo s ALA 91 Cb 0.27 0.61 -0.09 0.00 0.00 0.00 0.00 23.12 23.92 1sgo s ALA 91 CO 0.07 -0.48 1.46 -0.06 0.00 0.00 0.00 175.76 176.75 1sgo s PHE 92 N -3.96 3.13 -1.72 0.00 0.08 -1.26 -2.36 117.98 111.90 1sgo s PHE 92 Ca 0.14 0.81 0.00 0.00 0.12 0.00 0.00 56.93 58.00 1sgo s PHE 92 Cb 0.06 -3.77 0.00 0.00 -0.57 0.00 0.00 43.02 38.74 1sgo s PHE 92 CO -0.05 -2.80 0.00 -0.25 -0.10 0.00 0.00 175.22 172.03 1sgo n ASP 93 N 4.10 -5.06 -4.33 1.36 9.92 -1.26 -4.96 116.55 116.32 1sgo n ASP 93 Ca 0.13 0.29 -0.40 0.00 -0.53 0.00 0.00 54.79 54.28 1sgo n ASP 93 Cb 0.41 -4.09 -0.11 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 -3.87 2.73 -0.06 -1.24 2.00 -0.99 -5.06 119.66 113.16 1sgo s GLN 94 Ca 0.00 -1.17 0.01 0.00 -2.00 0.00 0.00 55.36 52.20 1sgo s GLN 94 Cb 0.00 -3.67 0.02 0.00 0.80 0.00 0.00 33.01 30.16 1sgo s GLN 94 CO 0.00 -0.74 -0.07 0.08 -0.50 0.00 0.00 175.29 174.06 1sgo s VAL 95 N 1.49 0.82 -0.14 1.34 1.01 -1.26 -3.28 120.40 120.39 1sgo s VAL 95 Ca 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 1sgo s VAL 95 Cb -0.20 -0.81 0.05 0.00 0.00 0.00 0.00 36.38 35.42 1sgo s VAL 95 CO 0.05 0.30 0.04 -0.62 0.00 0.00 0.00 175.10 174.87 1sgo s ASP 96 N 1.01 2.21 0.03 3.32 2.15 0.91 -4.99 116.67 121.31 1sgo s ASP 96 Ca -0.09 -0.47 0.23 0.00 0.43 0.00 0.00 52.55 52.65 1sgo s ASP 96 Cb -0.14 -0.41 0.97 0.00 -0.30 0.00 0.00 42.92 43.03 1sgo s ASP 96 CO -0.00 -0.28 1.74 -0.67 -0.17 0.00 0.00 175.17 175.78 1sgo n ASP 97 N 5.16 0.10 0.23 -0.34 2.03 -1.26 -2.28 116.55 120.19 1sgo n ASP 97 Ca -0.07 0.51 0.16 0.00 0.52 0.00 0.00 54.79 55.91 1sgo n ASP 97 Cb 0.49 -0.54 0.61 0.00 -0.72 0.00 0.00 41.12 40.95 1sgo n ASP 97 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 1sgo h HIS 98 N 0.00 0.00 -2.62 -0.67 2.76 -1.95 -3.42 115.15 109.25 1sgo h HIS 98 Ca 0.00 0.00 -0.56 0.00 -2.20 0.00 0.00 60.37 57.61 1sgo h HIS 98 Cb 0.42 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.36 1sgo h HIS 98 CO 0.00 0.00 1.18 -0.51 -1.30 0.00 0.00 177.93 177.30 1sgo s LEU 99 N -5.71 3.92 -0.47 0.26 1.43 -0.96 -4.86 118.68 112.27 1sgo s LEU 99 Ca 0.02 1.79 -0.02 0.00 -1.03 0.00 0.00 54.13 54.90 1sgo s LEU 99 Cb 0.09 -3.53 0.26 0.00 0.03 0.00 0.00 46.19 43.04 1sgo s LEU 99 CO 0.51 -1.31 2.16 0.00 0.23 0.00 0.00 176.35 177.94 1sgo n GLN 100 N 7.76 2.21 -2.23 1.70 10.64 -1.26 -4.96 117.38 131.24 1sgo n GLN 100 Ca 0.20 -2.30 -0.41 0.00 -1.83 0.00 0.00 57.00 52.67 1sgo n GLN 100 Cb 0.45 -1.93 -0.03 0.00 -0.86 0.00 0.00 30.24 27.86 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 -3.16 3.02 -0.11 -0.39 -4.23 -1.26 -4.97 115.64 104.54 1sgo s THR 101 Ca 0.46 0.99 -0.29 0.00 -1.18 0.00 0.00 61.69 61.67 1sgo s THR 101 Cb 0.35 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.52 1sgo s THR 101 CO -0.07 0.22 1.57 -2.84 -0.54 0.00 0.00 174.62 172.96 1sgo s PRO 102 N -1.34 4.10 0.66 3.99 0.02 -1.26 -4.82 135.00 136.34 1sgo s PRO 102 Ca 0.49 1.97 -0.11 0.00 0.02 0.00 0.00 61.00 63.37 1sgo s PRO 102 Cb -0.37 -3.96 -0.01 0.00 0.02 0.00 0.00 34.50 30.18 1sgo s PRO 102 CO 0.47 -0.93 1.05 1.52 -0.33 0.00 0.00 177.00 178.78 1sgo s TYR 103 N 4.22 3.46 0.16 6.54 -0.85 -1.26 -4.78 117.35 124.84 1sgo s TYR 103 Ca 0.70 1.13 0.08 0.00 -0.52 0.00 0.00 57.07 58.46 1sgo s TYR 103 Cb -0.29 -2.89 -0.04 0.00 0.38 0.00 0.00 41.96 39.12 1sgo s TYR 103 CO 0.27 -0.94 -0.17 -1.01 -1.52 0.00 0.00 175.55 172.18 1sgo s HIS 104 N -3.26 1.72 -0.05 -3.49 3.76 -0.69 -4.95 115.29 108.34 1sgo s HIS 104 Ca 0.56 -0.50 -0.12 0.00 -0.15 0.00 0.00 55.06 54.85 1sgo s HIS 104 Cb -0.11 -0.86 -0.07 0.00 1.11 0.00 0.00 32.58 32.65 1sgo s HIS 104 CO 0.52 0.29 0.51 1.49 -0.85 0.00 0.00 174.74 176.71 1sgo h GLU 105 N 3.26 -0.40 -6.17 1.40 4.81 -1.88 0.57 114.58 116.18 1sgo h GLU 105 Ca -0.41 0.03 -0.50 0.00 -0.13 0.00 0.00 59.36 58.34 1sgo h GLU 105 Cb 1.20 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 1sgo h GLU 105 CO 0.52 -0.24 -0.48 0.95 -0.73 0.00 0.00 179.01 179.02 1sgo s THR 106 N -2.96 4.93 0.18 0.32 -4.23 -1.26 -4.37 115.64 108.25 1sgo s THR 106 Ca -0.07 -1.07 0.19 0.00 -1.18 0.00 0.00 61.69 59.56 1sgo s THR 106 Cb 0.01 -3.63 0.13 0.00 1.34 0.00 0.00 72.50 70.35 1sgo s THR 106 CO 0.21 -0.26 1.74 1.62 -0.54 0.00 0.00 174.62 177.39 1sgo h VAL 107 N 1.46 0.90 0.46 2.29 3.04 -1.99 -2.36 116.25 120.05 1sgo h VAL 107 Ca -0.50 -1.50 -0.02 0.00 -1.01 0.00 0.00 66.70 63.67 1sgo h VAL 107 Cb 1.22 1.91 0.00 0.00 -2.01 0.00 0.00 31.29 32.41 1sgo h VAL 107 CO 0.63 0.36 -0.22 1.88 -1.01 0.00 0.00 177.57 179.21 1sgo h TYR 108 N 0.00 -0.57 -0.28 3.17 0.05 -1.98 -0.11 116.97 117.24 1sgo h TYR 108 Ca -0.00 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 1sgo h TYR 108 Cb 0.88 0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.79 1sgo h TYR 108 CO 0.00 -0.25 0.02 0.66 -1.05 0.00 0.00 178.16 177.54 1sgo h SER 109 N -0.89 0.39 0.70 3.88 4.64 -1.97 -1.42 113.55 118.87 1sgo h SER 109 Ca -0.06 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 1sgo h SER 109 Cb 0.58 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1sgo h SER 109 CO 0.10 0.44 -0.34 0.25 -0.87 0.00 0.00 176.83 176.42 1sgo h LEU 110 N 0.41 -0.79 -1.73 5.97 5.85 -1.34 -2.89 115.31 120.80 1sgo h LEU 110 Ca 0.09 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1sgo h LEU 110 Cb 0.24 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1sgo h LEU 110 CO 0.00 -0.46 0.00 -0.07 -0.34 0.00 0.00 178.44 177.57 1sgo h LEU 111 N -1.12 0.00 0.00 2.25 -0.00 -0.79 -0.08 115.31 115.57 1sgo h LEU 111 Ca -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.77 1sgo h LEU 111 Cb 0.75 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.41 1sgo h LEU 111 CO 0.16 0.00 -0.17 -0.78 -0.00 0.00 0.00 178.44 177.64 1sgo h ASP 112 N 0.00 0.00 0.75 -0.43 3.58 -1.19 -0.41 116.42 118.72 1sgo h ASP 112 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1sgo h ASP 112 Cb 0.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1sgo h ASP 112 CO 0.00 0.05 -0.80 0.41 -2.88 0.00 0.00 179.24 176.02 1sgo n THR 113 N -3.06 0.33 -0.12 2.25 -1.04 -0.10 -4.47 114.28 108.07 1sgo n THR 113 Ca 0.03 -0.30 -0.25 0.00 -2.04 0.00 0.00 64.05 61.49 1sgo n THR 113 Cb 0.55 -0.06 -0.09 0.00 -1.82 0.00 0.00 70.33 68.92 1sgo n THR 113 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1sgo n LEU 114 N -2.14 1.82 -4.12 -4.42 7.99 -0.87 -5.01 117.00 110.25 1sgo n LEU 114 Ca 0.02 0.25 -0.26 0.00 -0.01 0.00 0.00 56.01 56.01 1sgo n LEU 114 Cb 0.45 -0.71 -0.16 0.00 -0.11 0.00 0.00 43.42 42.89 1sgo n LEU 114 CO 0.38 0.54 -0.50 -0.44 -1.51 0.00 0.00 177.39 175.86 1sgo s SER 115 N -7.06 2.15 0.37 -1.43 0.01 -0.21 -5.01 113.70 102.52 1sgo s SER 115 Ca -0.33 -0.36 0.19 0.00 1.31 0.00 0.00 55.95 56.76 1sgo s SER 115 Cb 0.12 -0.73 0.53 0.00 0.21 0.00 0.00 66.02 66.16 1sgo s SER 115 CO 0.43 0.13 1.66 1.55 0.41 0.00 0.00 173.24 177.41 1sgo h PRO 116 N 6.46 0.00 0.00 12.44 0.13 -1.87 -2.92 132.00 146.24 1sgo h PRO 116 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1sgo h PRO 116 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1sgo h PRO 116 CO 0.48 0.35 0.00 0.00 -0.23 0.00 0.00 178.00 178.60 1sgo n ALA 117 N -2.24 1.77 0.07 -0.56 0.00 -1.26 -2.93 120.51 115.36 1sgo n ALA 117 Ca 0.01 -0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 1sgo n ALA 117 Cb 0.56 -1.26 -0.07 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.10 0.00 0.00 3.20 -1.74 -1.52 116.97 116.82 1sgo h TYR 118 Ca 0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1sgo h TYR 118 Cb 0.23 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 1sgo h TYR 118 CO 0.00 -0.03 -0.16 0.00 -1.64 0.00 0.00 178.16 176.32 1sgo h ARG 119 N -0.13 0.00 -0.05 1.82 3.08 -1.75 0.38 114.38 117.73 1sgo h ARG 119 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1sgo h ARG 119 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1sgo h ARG 119 CO 0.02 0.16 -0.01 0.93 -1.07 0.00 0.00 179.97 180.00 1sgo h GLU 120 N 0.00 0.09 0.01 0.04 4.39 -1.57 -2.12 114.58 115.42 1sgo h GLU 120 Ca -0.00 -0.03 -0.21 0.00 0.34 0.00 0.00 59.36 59.45 1sgo h GLU 120 Cb 0.59 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1sgo h GLU 120 CO 0.02 0.43 -0.93 0.00 -1.16 0.00 0.00 179.01 177.37 1sgo h ALA 121 N 0.66 0.43 0.00 3.43 0.00 -0.87 -3.15 119.26 119.76 1sgo h ALA 121 Ca 0.01 -0.73 -0.05 0.00 0.00 0.00 0.00 54.91 54.14 1sgo h ALA 121 Cb 0.39 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1sgo h ALA 121 CO 0.00 0.89 -0.24 0.35 0.00 0.00 0.00 179.25 180.25 1sgo h PHE 122 N 0.15 0.00 0.00 0.00 3.57 -0.29 -2.27 116.94 118.10 1sgo h PHE 122 Ca -0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1sgo h PHE 122 Cb 1.57 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.31 1sgo h PHE 122 CO 0.04 0.24 0.00 0.78 -2.23 0.00 0.00 178.31 177.14 1sgo h GLY 123 N 1.28 0.00 1.37 2.40 0.00 -1.33 -1.38 103.07 105.41 1sgo h GLY 123 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1sgo h GLY 123 CO 0.03 0.00 0.35 -0.57 0.00 0.00 0.00 176.54 176.35 1sgo h ASN 124 N 0.00 0.53 -0.28 0.19 -0.00 -1.57 -1.02 115.58 113.42 1sgo h ASN 124 Ca 0.00 -0.01 -0.15 0.00 -0.00 0.00 0.00 56.30 56.14 1sgo h ASN 124 Cb 0.08 -0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 38.27 1sgo h ASN 124 CO 0.00 0.37 -0.39 0.00 -0.00 0.00 0.00 177.43 177.40 1sgo h ALA 125 N 1.69 0.65 -0.22 1.57 0.00 -1.46 -2.37 119.26 119.12 1sgo h ALA 125 Ca 0.21 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1sgo h ALA 125 Cb 0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1sgo h ALA 125 CO -0.06 0.67 -0.23 -0.07 0.00 0.00 0.00 179.25 179.56 1sgo h LEU 126 N 0.68 0.59 -1.20 0.00 4.07 -1.42 0.13 115.31 118.16 1sgo h LEU 126 Ca 0.06 -0.48 -0.04 0.00 0.08 0.00 0.00 57.88 57.49 1sgo h LEU 126 Cb 0.96 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.53 1sgo h LEU 126 CO 0.09 0.95 -0.21 0.17 -1.08 0.00 0.00 178.44 178.37 1sgo h LEU 127 N 0.25 0.00 0.19 1.67 8.10 -1.26 -0.71 115.31 123.55 1sgo h LEU 127 Ca 0.03 0.00 -0.27 0.00 0.11 0.00 0.00 57.88 57.75 1sgo h LEU 127 Cb 0.79 0.00 0.03 0.00 -0.44 0.00 0.00 40.66 41.04 1sgo h LEU 127 CO 0.06 0.21 -1.18 -0.61 -4.11 0.00 0.00 178.44 172.81 1sgo h GLN 128 N 0.00 0.46 -0.17 0.17 4.15 -1.27 -3.28 115.11 115.18 1sgo h GLN 128 Ca -0.00 -0.75 -0.02 0.00 0.77 0.00 0.00 58.65 58.65 1sgo h GLN 128 Cb 0.70 0.27 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 1sgo h GLN 128 CO 0.03 1.35 0.03 -0.09 -1.93 0.00 0.00 178.83 178.22 1sgo h ARG 129 N -0.04 0.23 -0.00 1.69 2.43 -0.40 -1.62 114.38 116.66 1sgo h ARG 129 Ca -0.20 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.91 1sgo h ARG 129 Cb 1.92 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.42 1sgo h ARG 129 CO 0.22 0.23 -0.18 1.25 -1.51 0.00 0.00 179.97 179.98 1sgo h LEU 130 N 0.23 0.00 -1.71 3.80 5.85 -1.19 -1.18 115.31 121.11 1sgo h LEU 130 Ca 0.06 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1sgo h LEU 130 Cb 0.11 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1sgo h LEU 130 CO -0.00 0.18 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.77 1sgo h GLU 131 N 0.00 0.00 0.00 1.25 4.39 -1.37 -2.05 114.58 116.81 1sgo h GLU 131 Ca -0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 1sgo h GLU 131 Cb 0.31 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1sgo h GLU 131 CO 0.02 0.18 -0.84 0.00 -1.16 0.00 0.00 179.01 177.21 1sgo h ALA 132 N 1.82 0.59 -0.24 3.43 0.00 -1.28 -2.32 119.26 121.25 1sgo h ALA 132 Ca -0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 54.91 54.10 1sgo h ALA 132 Cb 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1sgo h ALA 132 CO 0.02 0.94 -0.24 1.25 0.00 0.00 0.00 179.25 181.23 1sgo h LEU 133 N 0.07 0.46 -0.36 0.00 5.85 -1.27 -0.77 115.31 119.29 1sgo h LEU 133 Ca -0.03 -0.15 -0.19 0.00 0.84 0.00 0.00 57.88 58.35 1sgo h LEU 133 Cb 1.46 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 1sgo h LEU 133 CO 0.12 0.70 -0.67 0.11 -0.34 0.00 0.00 178.44 178.36 1sgo h LYS 134 N 0.41 0.62 -0.21 1.25 1.57 -1.38 -3.12 116.57 115.71 1sgo h LYS 134 Ca 0.06 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1sgo h LYS 134 Cb 0.64 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1sgo h LYS 134 CO 0.05 1.07 0.00 0.54 -0.57 0.00 0.00 179.45 180.54 1sgo n ARG 135 N -3.92 1.74 0.04 3.15 1.74 -0.88 -4.14 116.66 114.39 1sgo n ARG 135 Ca -0.05 -1.12 -0.13 0.00 -0.77 0.00 0.00 57.85 55.79 1sgo n ARG 135 Cb 0.68 -1.36 -0.09 0.00 -1.02 0.00 0.00 32.46 30.67 1sgo n ARG 135 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1sgo h ASP 136 N 2.13 -0.09 0.00 0.55 3.58 -1.07 -3.49 116.42 118.03 1sgo h ASP 136 Ca 0.00 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.12 1sgo h ASP 136 Cb 0.47 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1sgo h ASP 136 CO 0.00 0.30 0.00 0.61 -2.88 0.00 0.00 179.24 177.27 1sgo n GLY 137 N -0.08 4.63 3.85 -0.78 0.00 -1.26 -5.12 105.19 106.44 1sgo n GLY 137 Ca -0.08 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 1sgo n GLY 137 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sgo s GLN 138 N 3.37 2.71 0.00 1.61 -1.52 -1.26 -4.99 119.66 119.58 1sgo s GLN 138 Ca 0.00 -1.31 0.00 0.00 -1.95 0.00 0.00 55.36 52.10 1sgo s GLN 138 Cb 0.00 -2.47 0.00 0.00 -0.22 0.00 0.00 33.01 30.32 1sgo s GLN 138 CO 0.00 0.08 0.00 0.43 -0.25 0.00 0.00 175.29 175.55