#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgo n GLU 2 N 0.00 0.51 -4.09 0.03 2.13 -1.26 -4.98 120.64 112.98 1sgo n GLU 2 Ca 0.00 0.22 -0.34 0.00 0.66 0.00 0.00 57.16 57.70 1sgo n GLU 2 Cb 0.00 -1.36 -0.10 0.00 0.27 0.00 0.00 31.44 30.25 1sgo n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1sgo s THR 3 N -2.55 4.62 0.00 6.31 -4.23 -1.26 -5.03 115.64 113.50 1sgo s THR 3 Ca -0.32 -0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1sgo s THR 3 Cb 0.11 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1sgo s THR 3 CO 0.42 0.48 0.00 -0.67 -0.54 0.00 0.00 174.62 174.31 1sgo n ASP 4 N 3.43 0.00 0.11 3.99 2.03 -1.26 -5.12 116.55 119.74 1sgo n ASP 4 Ca -0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 1sgo n ASP 4 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1sgo n ASP 4 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sgo s ASN 6 N -2.00 3.27 0.52 0.00 2.47 -1.26 -5.13 114.94 112.81 1sgo s ASN 6 Ca 0.00 -0.87 -0.16 0.00 0.42 0.00 0.00 52.86 52.25 1sgo s ASN 6 Cb 0.00 -1.05 -0.08 0.00 -1.45 0.00 0.00 41.25 38.67 1sgo s ASN 6 CO 0.00 -0.20 0.98 -2.84 -3.72 0.00 0.00 177.10 171.32 1sgo s PRO 7 N 1.52 3.91 0.00 0.43 0.02 -1.26 -4.99 135.00 134.63 1sgo s PRO 7 Ca -0.02 0.92 0.13 0.00 0.02 0.00 0.00 61.00 62.05 1sgo s PRO 7 Cb -0.17 -2.14 -0.07 0.00 0.02 0.00 0.00 34.50 32.14 1sgo s PRO 7 CO -0.07 -0.28 0.65 -0.12 -0.33 0.00 0.00 177.00 176.84 1sgo n MET 8 N -1.66 2.34 0.26 5.54 1.56 -1.26 -4.51 117.12 119.39 1sgo n MET 8 Ca 0.06 -0.35 0.12 0.00 -0.27 0.00 0.00 57.70 57.26 1sgo n MET 8 Cb 0.54 -1.14 0.72 0.00 2.15 0.00 0.00 33.22 35.49 1sgo n MET 8 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 1sgo h GLU 9 N 0.73 0.00 -4.30 2.12 3.07 -2.07 -3.33 114.58 110.81 1sgo h GLU 9 Ca 0.00 0.00 -0.72 0.00 -0.50 0.00 0.00 59.36 58.14 1sgo h GLU 9 Cb 0.38 0.00 -0.30 0.00 -0.84 0.00 0.00 28.75 27.98 1sgo h GLU 9 CO 0.00 0.11 -0.41 -1.17 -1.40 0.00 0.00 179.01 176.15 1sgo s LEU 10 N -7.46 5.64 0.23 1.33 2.96 -1.26 -5.07 118.68 115.04 1sgo s LEU 10 Ca -0.03 -1.98 0.11 0.00 -0.22 0.00 0.00 54.13 52.01 1sgo s LEU 10 Cb 0.14 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 1sgo s LEU 10 CO 0.59 -0.66 -0.20 -0.55 -1.32 0.00 0.00 176.35 174.21 1sgo s SER 11 N 2.48 3.29 -0.10 3.68 0.15 -1.25 -5.05 113.70 116.89 1sgo s SER 11 Ca 0.07 -0.95 -0.30 0.00 0.70 0.00 0.00 55.95 55.47 1sgo s SER 11 Cb -0.25 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 63.79 1sgo s SER 11 CO -0.02 0.03 1.11 -0.55 1.20 0.00 0.00 173.24 175.01 1sgo s SER 12 N -3.08 7.13 -0.15 5.45 0.15 -1.26 -5.01 113.70 116.94 1sgo s SER 12 Ca 0.24 1.65 -0.21 0.00 0.70 0.00 0.00 55.95 58.33 1sgo s SER 12 Cb -0.06 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.67 1sgo s SER 12 CO 0.11 -0.54 0.63 -0.32 1.20 0.00 0.00 173.24 174.32 1sgo s MET 13 N 2.29 4.30 -0.03 5.44 0.00 -1.26 -5.04 119.30 125.00 1sgo s MET 13 Ca 0.52 0.68 -0.23 0.00 0.00 0.00 0.00 55.69 56.65 1sgo s MET 13 Cb -0.21 -3.52 0.05 0.00 0.00 0.00 0.00 34.83 31.15 1sgo s MET 13 CO 0.18 -0.09 0.50 0.45 0.00 0.00 0.00 175.02 176.07 1sgo s SER 14 N 0.98 -0.43 0.31 1.11 0.15 -1.26 -5.18 113.70 109.38 1sgo s SER 14 Ca 0.31 0.40 0.04 0.00 0.70 0.00 0.00 55.95 57.40 1sgo s SER 14 Cb -0.16 0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 64.55 1sgo s SER 14 CO 0.13 -0.54 0.30 -0.83 1.20 0.00 0.00 173.24 173.50 1sgo s GLY 15 N -1.29 1.98 -0.90 9.45 0.00 -1.26 -5.08 107.32 110.22 1sgo s GLY 15 Ca -0.12 -1.88 -0.25 0.00 0.00 0.00 0.00 44.72 42.48 1sgo s GLY 15 CO 0.07 -1.34 1.49 -1.36 0.00 0.00 0.00 173.10 171.95 1sgo s PHE 16 N -3.49 2.32 0.00 1.90 0.08 -1.26 -4.59 117.98 112.94 1sgo s PHE 16 Ca 0.38 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 57.09 1sgo s PHE 16 Cb 0.02 -4.56 0.00 0.00 -0.57 0.00 0.00 43.02 37.91 1sgo s PHE 16 CO 0.23 -1.98 0.00 -1.91 -0.10 0.00 0.00 175.22 171.46 1sgo n GLU 17 N 9.04 0.00 0.04 0.44 0.00 -1.26 -4.87 120.64 124.03 1sgo n GLU 17 Ca 0.24 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.53 1sgo n GLU 17 Cb 0.50 0.00 0.23 0.00 0.00 0.00 0.00 31.44 32.17 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 -0.92 0.17 -1.90 5.31 2.13 -1.26 -4.80 120.64 119.38 1sgo n GLU 18 Ca 0.00 0.05 -0.23 0.00 0.66 0.00 0.00 57.16 57.65 1sgo n GLU 18 Cb 0.00 -1.61 -0.06 0.00 0.27 0.00 0.00 31.44 30.04 1sgo n GLU 18 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1sgo s GLY 19 N -3.39 -0.16 -0.03 8.31 0.00 -1.26 -4.87 107.32 105.92 1sgo s GLY 19 Ca 0.08 -1.35 -0.07 0.00 0.00 0.00 0.00 44.72 43.38 1sgo s GLY 19 CO 0.70 3.74 0.16 -0.45 0.00 0.00 0.00 173.10 177.25 1sgo s SER 20 N 8.75 -0.08 0.10 1.64 0.15 -1.26 -4.92 113.70 118.08 1sgo s SER 20 Ca 0.77 0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.49 1sgo s SER 20 Cb -0.08 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1sgo s SER 20 CO 0.03 -0.23 0.00 -0.62 1.20 0.00 0.00 173.24 173.63 1sgo n GLU 21 N 2.16 -2.97 -2.65 5.44 4.71 -1.26 -4.93 120.64 121.13 1sgo n GLU 21 Ca -0.18 2.34 -0.03 0.00 -0.01 0.00 0.00 57.16 59.28 1sgo n GLU 21 Cb 0.57 -2.34 0.00 0.00 -1.01 0.00 0.00 31.44 28.66 1sgo n GLU 21 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1sgo n LEU 22 N 1.01 -7.49 -4.63 -4.62 0.00 -1.26 -4.93 117.00 95.08 1sgo n LEU 22 Ca 0.00 1.01 -0.43 0.00 0.00 0.00 0.00 56.01 56.59 1sgo n LEU 22 Cb 0.00 -3.17 -0.02 0.00 0.00 0.00 0.00 43.42 40.23 1sgo n LEU 22 CO 0.00 -2.66 1.10 0.21 0.00 0.00 0.00 177.39 176.04 1sgo s ASN 23 N -1.85 6.72 -0.07 1.96 3.84 -1.26 -4.95 114.94 119.32 1sgo s ASN 23 Ca 0.08 1.17 -0.32 0.00 0.21 0.00 0.00 52.86 54.01 1sgo s ASN 23 Cb -0.02 -2.54 0.13 0.00 -0.55 0.00 0.00 41.25 38.27 1sgo s ASN 23 CO 0.71 -1.04 1.39 -0.83 -2.79 0.00 0.00 177.10 174.54 1sgo s GLY 24 N 2.57 -0.41 0.50 1.21 0.00 -1.26 -5.17 107.32 104.75 1sgo s GLY 24 Ca 0.54 0.72 0.05 0.00 0.00 0.00 0.00 44.72 46.03 1sgo s GLY 24 CO 0.22 1.63 0.28 -1.36 0.00 0.00 0.00 173.10 173.87 1sgo s PHE 25 N -2.10 1.99 -1.29 1.90 0.08 -1.26 -5.03 117.98 112.27 1sgo s PHE 25 Ca 0.19 -0.77 -0.18 0.00 0.12 0.00 0.00 56.93 56.29 1sgo s PHE 25 Cb 0.05 -1.90 0.07 0.00 -0.57 0.00 0.00 43.02 40.67 1sgo s PHE 25 CO -0.05 -0.18 1.73 -1.21 -0.10 0.00 0.00 175.22 175.42 1sgo s GLU 26 N -4.11 3.98 -1.25 0.44 8.01 -1.26 -4.85 118.70 119.66 1sgo s GLU 26 Ca 0.32 -1.99 -0.08 0.00 0.01 0.00 0.00 54.97 53.23 1sgo s GLU 26 Cb -0.00 -5.54 -0.09 0.00 -4.31 0.00 0.00 34.13 24.19 1sgo s GLU 26 CO 0.19 -2.26 3.00 0.41 0.01 0.00 0.00 175.26 176.61 1sgo n GLY 27 N 5.42 4.17 2.98 -1.39 0.00 -1.26 -4.76 105.19 110.35 1sgo n GLY 27 Ca 0.49 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 1sgo n GLY 27 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1sgo s THR 28 N 1.32 2.14 0.19 2.61 -1.32 -1.26 -4.94 115.64 114.38 1sgo s THR 28 Ca 0.67 -2.30 0.06 0.00 -1.21 0.00 0.00 61.69 58.90 1sgo s THR 28 Cb 0.21 -2.58 -0.11 0.00 -1.51 0.00 0.00 72.50 68.51 1sgo s THR 28 CO -0.06 -0.62 1.45 -0.78 -2.21 0.00 0.00 174.62 172.39 1sgo h ASP 29 N 7.59 0.13 -3.67 8.08 3.58 -2.04 -3.43 116.42 126.66 1sgo h ASP 29 Ca -0.05 -0.10 -0.36 0.00 0.42 0.00 0.00 57.03 56.94 1sgo h ASP 29 Cb 1.01 -0.04 -0.31 0.00 1.72 0.00 0.00 39.33 41.71 1sgo h ASP 29 CO 0.52 0.87 -0.76 -0.32 -2.88 0.00 0.00 179.24 176.68 1sgo s MET 30 N -3.29 0.54 0.32 0.28 1.75 -1.26 -5.14 119.30 112.50 1sgo s MET 30 Ca -0.02 -0.10 -0.28 0.00 -1.25 0.00 0.00 55.69 54.04 1sgo s MET 30 Cb 0.11 -0.57 -0.09 0.00 2.84 0.00 0.00 34.83 37.12 1sgo s MET 30 CO 0.80 -0.00 1.14 0.21 -0.65 0.00 0.00 175.02 176.53 1sgo s LYS 31 N 0.47 4.46 -0.42 4.11 2.20 -1.26 -4.99 119.74 124.31 1sgo s LYS 31 Ca -0.05 1.86 -0.26 0.00 -0.36 0.00 0.00 55.97 57.16 1sgo s LYS 31 Cb -0.09 -3.04 0.02 0.00 -1.51 0.00 0.00 37.83 33.21 1sgo s LYS 31 CO -0.00 0.03 0.93 0.34 -0.36 0.00 0.00 175.35 176.29 1sgo s ASP 32 N -0.90 6.58 0.42 1.43 -1.08 -1.26 -4.64 116.67 117.23 1sgo s ASP 32 Ca 0.48 0.34 0.26 0.00 -0.52 0.00 0.00 52.55 53.11 1sgo s ASP 32 Cb -0.32 -2.46 0.69 0.00 -1.46 0.00 0.00 42.92 39.37 1sgo s ASP 32 CO 0.42 -0.97 1.73 -0.03 0.52 0.00 0.00 175.17 176.84 1sgo h MET 33 N 8.81 0.00 0.00 4.34 1.85 -0.25 -1.69 114.93 127.99 1sgo h MET 33 Ca -0.24 0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 58.78 1sgo h MET 33 Cb 1.08 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.10 1sgo h MET 33 CO 1.01 0.00 -0.33 -0.09 -0.40 0.00 0.00 176.91 177.10 1sgo h ARG 34 N 0.00 0.00 0.03 0.39 2.43 -1.84 0.14 114.38 115.53 1sgo h ARG 34 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1sgo h ARG 34 Cb 0.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1sgo h ARG 34 CO 0.00 0.33 -0.02 1.25 -1.51 0.00 0.00 179.97 180.02 1sgo h LEU 35 N 0.00 -0.04 -1.93 3.80 5.85 -1.66 -2.66 115.31 118.68 1sgo h LEU 35 Ca -0.00 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.44 1sgo h LEU 35 Cb 0.59 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1sgo h LEU 35 CO 0.04 0.33 0.20 -0.33 -0.34 0.00 0.00 178.44 178.34 1sgo h GLU 36 N -0.41 0.08 0.36 1.25 4.39 -1.19 -2.59 114.58 116.48 1sgo h GLU 36 Ca -0.00 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1sgo h GLU 36 Cb 0.38 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1sgo h GLU 36 CO 0.01 0.06 -0.17 0.00 -1.16 0.00 0.00 179.01 177.74 1sgo h ALA 37 N 1.85 -0.48 0.00 3.43 0.00 -0.47 0.91 119.26 124.50 1sgo h ALA 37 Ca 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1sgo h ALA 37 Cb 0.42 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1sgo h ALA 37 CO -0.01 -0.65 -0.17 1.05 0.00 0.00 0.00 179.25 179.48 1sgo h GLU 38 N -0.73 0.00 -0.13 0.00 4.11 -1.29 0.39 114.58 116.94 1sgo h GLU 38 Ca -0.05 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.31 1sgo h GLU 38 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1sgo h GLU 38 CO 0.08 0.17 -0.19 0.00 0.07 0.00 0.00 179.01 179.14 1sgo h ALA 39 N 1.83 0.20 -0.37 1.06 0.00 -1.20 -3.01 119.26 117.77 1sgo h ALA 39 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1sgo h ALA 39 Cb 0.37 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1sgo h ALA 39 CO 0.02 0.12 0.12 0.28 0.00 0.00 0.00 179.25 179.79 1sgo h VAL 40 N -0.05 1.21 -0.93 0.00 2.07 -0.19 -2.41 116.25 115.95 1sgo h VAL 40 Ca 0.01 -0.68 0.16 0.00 0.82 0.00 0.00 66.70 67.01 1sgo h VAL 40 Cb 0.75 0.95 -0.10 0.00 -1.52 0.00 0.00 31.29 31.37 1sgo h VAL 40 CO 0.04 0.24 0.53 0.58 0.02 0.00 0.00 177.57 178.98 1sgo h VAL 41 N 0.46 0.75 0.00 2.57 2.07 -0.99 0.19 116.25 121.29 1sgo h VAL 41 Ca 0.12 -0.25 -0.17 0.00 0.82 0.00 0.00 66.70 67.22 1sgo h VAL 41 Cb 0.25 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 1sgo h VAL 41 CO -0.00 0.13 -0.80 -1.13 0.02 0.00 0.00 177.57 175.78 1sgo h ASN 42 N 0.73 0.00 0.02 0.57 -0.00 -1.38 -2.97 115.58 112.56 1sgo h ASN 42 Ca 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.81 1sgo h ASN 42 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.03 1sgo h ASN 42 CO -0.35 0.80 -0.01 -0.78 -0.00 0.00 0.00 177.43 177.09 1sgo h ASP 43 N 0.00 -0.03 -0.07 1.15 3.58 -0.62 -3.32 116.42 117.11 1sgo h ASP 43 Ca -0.01 -0.61 0.00 0.00 0.42 0.00 0.00 57.03 56.83 1sgo h ASP 43 Cb 1.46 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.52 1sgo h ASP 43 CO 0.10 0.75 0.00 1.33 -2.88 0.00 0.00 179.24 178.55 1sgo n VAL 44 N -4.71 0.09 0.31 2.25 0.24 -0.10 -3.63 118.33 112.78 1sgo n VAL 44 Ca -0.07 -0.15 0.18 0.00 -2.04 0.00 0.00 64.34 62.26 1sgo n VAL 44 Cb 0.31 -0.00 1.01 0.00 -1.47 0.00 0.00 33.84 33.69 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 0.96 0.00 -1.14 1.34 5.85 -1.62 -0.62 115.31 120.09 1sgo h LEU 45 Ca 0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1sgo h LEU 45 Cb 0.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1sgo h LEU 45 CO 0.00 0.01 -0.26 0.15 -0.34 0.00 0.00 178.44 178.00 1sgo h PHE 46 N 0.00 0.00 0.00 1.25 3.57 -1.82 -2.99 116.94 116.95 1sgo h PHE 46 Ca -0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1sgo h PHE 46 Cb 0.03 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1sgo h PHE 46 CO 0.00 0.26 -0.69 0.00 -2.23 0.00 0.00 178.31 175.65 1sgo h ALA 47 N 1.74 0.70 -3.87 2.41 0.00 -1.39 -3.46 119.26 115.38 1sgo h ALA 47 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1sgo h ALA 47 Cb 0.75 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1sgo h ALA 47 CO 0.03 0.21 0.00 1.33 0.00 0.00 0.00 179.25 180.83 1sgo n VAL 48 N -2.91 0.00 -0.12 0.00 0.24 -1.13 -3.78 118.33 110.63 1sgo n VAL 48 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 1sgo n VAL 48 Cb 0.61 -0.03 -0.12 0.00 -1.47 0.00 0.00 33.84 32.82 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 -0.93 1.59 -3.75 -1.34 5.15 0.25 -4.61 115.26 111.61 1sgo n ASN 49 Ca 0.00 -0.10 -0.12 0.00 -0.60 0.00 0.00 54.58 53.76 1sgo n ASN 49 Cb 0.00 -0.03 -0.08 0.00 -0.53 0.00 0.00 39.78 39.14 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 -6.13 -0.15 -0.27 1.20 2.47 -0.33 -5.03 114.94 106.70 1sgo s ASN 50 Ca -0.27 -0.10 -0.24 0.00 0.42 0.00 0.00 52.86 52.67 1sgo s ASN 50 Cb 0.08 0.34 0.09 0.00 -1.45 0.00 0.00 41.25 40.31 1sgo s ASN 50 CO 0.63 -0.56 0.81 -0.32 -3.72 0.00 0.00 177.10 173.94 1sgo s MET 51 N -2.15 0.73 -0.27 0.43 1.75 -1.26 -0.10 119.30 118.42 1sgo s MET 51 Ca -0.08 0.90 -0.25 0.00 -1.25 0.00 0.00 55.69 55.01 1sgo s MET 51 Cb -0.02 0.34 0.08 0.00 2.84 0.00 0.00 34.83 38.06 1sgo s MET 51 CO -0.01 -0.09 0.76 0.12 -0.65 0.00 0.00 175.02 175.15 1sgo s PHE 52 N 0.45 -0.76 -0.14 4.11 5.36 -0.11 -4.98 117.98 121.92 1sgo s PHE 52 Ca -0.00 1.84 -0.29 0.00 -0.96 0.00 0.00 56.93 57.52 1sgo s PHE 52 Cb -0.05 0.28 -0.01 0.00 -0.34 0.00 0.00 43.02 42.90 1sgo s PHE 52 CO -0.03 -0.36 1.14 0.14 -1.46 0.00 0.00 175.22 174.64 1sgo s VAL 53 N 0.38 4.48 0.06 3.12 -7.23 -1.26 -0.66 120.40 119.29 1sgo s VAL 53 Ca 0.00 1.79 -0.31 0.00 -1.81 0.00 0.00 61.98 61.65 1sgo s VAL 53 Cb -0.05 -4.15 -0.07 0.00 0.56 0.00 0.00 36.38 32.67 1sgo s VAL 53 CO -0.00 -0.08 1.35 -0.44 -0.31 0.00 0.00 175.10 175.62 1sgo s SER 54 N 1.46 6.89 0.00 4.85 0.01 -0.98 -4.88 113.70 121.05 1sgo s SER 54 Ca 0.51 2.19 0.28 0.00 1.31 0.00 0.00 55.95 60.23 1sgo s SER 54 Cb -0.20 -2.58 1.05 0.00 0.21 0.00 0.00 66.02 64.50 1sgo s SER 54 CO 0.15 -0.64 1.77 0.29 0.41 0.00 0.00 173.24 175.22 1sgo n LYS 55 N 4.44 0.33 -0.13 12.44 4.76 -1.26 -2.93 118.16 135.81 1sgo n LYS 55 Ca 0.11 -0.12 0.11 0.00 -2.87 0.00 0.00 58.31 55.55 1sgo n LYS 55 Cb 0.44 -1.50 0.29 0.00 -1.84 0.00 0.00 35.03 32.42 1sgo n LYS 55 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1sgo n SER 56 N -1.23 2.53 -0.66 4.39 7.64 -1.26 -4.92 113.62 120.10 1sgo n SER 56 Ca 0.10 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 58.12 1sgo n SER 56 Cb 0.31 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 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 0.89 0.00 -4.57 -3.43 4.77 -1.15 -5.12 117.00 108.39 1sgo n LEU 57 Ca 0.17 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.82 1sgo n LEU 57 Cb 0.46 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.44 1sgo n LEU 57 CO 0.14 0.00 -0.38 -0.60 -1.33 0.00 0.00 177.39 175.23 1sgo s ARG 58 N -0.07 2.86 -0.46 3.23 6.06 -1.26 -4.98 118.95 124.33 1sgo s ARG 58 Ca 0.00 -0.54 0.07 0.00 -2.50 0.00 0.00 55.73 52.75 1sgo s ARG 58 Cb 0.00 -2.63 0.18 0.00 0.06 0.00 0.00 34.95 32.56 1sgo s ARG 58 CO 0.00 0.61 0.64 0.00 -2.50 0.00 0.00 175.30 174.06 1sgo h ALA 60 N 5.88 0.00 0.00 0.00 0.00 -1.84 -3.48 119.26 119.83 1sgo h ALA 60 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sgo h ALA 60 Cb 1.12 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1sgo h ALA 60 CO 0.08 0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.02 1sgo n ASP 61 N -3.55 -1.93 -0.51 0.00 5.68 -1.26 -4.89 116.55 110.10 1sgo n ASP 61 Ca -0.01 0.52 0.12 0.00 -0.50 0.00 0.00 54.79 54.92 1sgo n ASP 61 Cb 0.05 2.01 0.44 0.00 -1.14 0.00 0.00 41.12 42.47 1sgo n ASP 61 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1sgo n ASP 62 N -2.98 1.55 -3.75 -1.12 5.75 -1.26 0.56 116.55 115.29 1sgo n ASP 62 Ca 0.00 -1.62 -0.15 0.00 -0.01 0.00 0.00 54.79 53.01 1sgo n ASP 62 Cb 0.00 -0.07 -0.15 0.00 -1.03 0.00 0.00 41.12 39.87 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 -1.87 -0.06 -0.06 2.12 0.11 -1.26 -3.40 120.40 115.99 1sgo s VAL 63 Ca 0.34 0.21 -0.02 0.00 -2.93 0.00 0.00 61.98 59.59 1sgo s VAL 63 Cb 0.19 -0.16 0.03 0.00 -1.53 0.00 0.00 36.38 34.91 1sgo s VAL 63 CO 0.29 0.09 0.05 0.00 -3.33 0.00 0.00 175.10 172.20 1sgo s ALA 64 N 1.19 0.33 -0.38 1.54 0.00 0.48 -2.10 121.76 122.83 1sgo s ALA 64 Ca -0.08 0.09 -0.24 0.00 0.00 0.00 0.00 51.96 51.73 1sgo s ALA 64 Cb -0.12 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.33 1sgo s ALA 64 CO -0.04 -0.55 0.83 0.71 0.00 0.00 0.00 175.76 176.71 1sgo s TYR 65 N 2.13 3.08 0.05 0.00 2.02 0.02 -0.34 117.35 124.32 1sgo s TYR 65 Ca 0.05 0.57 0.08 0.00 -0.37 0.00 0.00 57.07 57.40 1sgo s TYR 65 Cb -0.12 -3.52 -0.03 0.00 -0.40 0.00 0.00 41.96 37.88 1sgo s TYR 65 CO -0.04 -0.80 -0.22 0.42 -1.57 0.00 0.00 175.55 173.35 1sgo s ILE 66 N 3.25 2.53 -0.10 2.71 1.01 0.43 -2.31 121.20 128.72 1sgo s ILE 66 Ca 0.33 -1.31 0.01 0.00 0.00 0.00 0.00 60.65 59.68 1sgo s ILE 66 Cb -0.13 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 1sgo s ILE 66 CO 0.18 0.32 -0.12 0.20 0.00 0.00 0.00 174.94 175.53 1sgo s ASN 67 N -1.44 4.19 -0.00 3.58 0.02 0.16 -0.31 114.94 121.14 1sgo s ASN 67 Ca 0.14 -0.23 0.06 0.00 -1.02 0.00 0.00 52.86 51.80 1sgo s ASN 67 Cb -0.10 -1.37 -0.02 0.00 0.02 0.00 0.00 41.25 39.78 1sgo s ASN 67 CO 0.04 0.24 -0.17 0.54 0.02 0.00 0.00 177.10 177.77 1sgo s VAL 68 N -0.08 1.38 -0.21 1.60 0.11 -0.19 -0.93 120.40 122.07 1sgo s VAL 68 Ca -0.01 -0.81 -0.01 0.00 -2.93 0.00 0.00 61.98 58.22 1sgo s VAL 68 Cb -0.14 -1.16 0.06 0.00 -1.53 0.00 0.00 36.38 33.61 1sgo s VAL 68 CO 0.03 0.34 -0.02 -0.70 -3.33 0.00 0.00 175.10 171.42 1sgo s GLU 69 N -0.55 1.28 1.29 1.54 2.12 0.86 -0.31 118.70 124.93 1sgo s GLU 69 Ca 0.06 -0.73 -0.21 0.00 0.36 0.00 0.00 54.97 54.45 1sgo s GLU 69 Cb -0.07 -2.35 0.32 0.00 0.26 0.00 0.00 34.13 32.30 1sgo s GLU 69 CO -0.00 -0.59 1.04 0.95 -0.54 0.00 0.00 175.26 176.12 1sgo s THR 70 N 1.58 1.44 0.16 -1.70 -4.23 -0.73 -0.58 115.64 111.57 1sgo s THR 70 Ca -0.03 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 60.78 1sgo s THR 70 Cb -0.18 -2.32 0.33 0.00 1.34 0.00 0.00 72.50 71.68 1sgo s THR 70 CO -0.07 0.00 1.95 0.11 -0.54 0.00 0.00 174.62 176.07 1sgo h LYS 71 N -2.94 0.00 0.00 3.99 1.57 -1.81 0.14 116.57 117.52 1sgo h LYS 71 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1sgo h LYS 71 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1sgo h LYS 71 CO 0.31 0.09 0.00 0.39 -0.57 0.00 0.00 179.45 179.67 1sgo n GLU 72 N -3.24 0.59 -2.84 3.15 4.71 -1.26 -4.86 120.64 116.88 1sgo n GLU 72 Ca 0.00 0.03 -0.22 0.00 -0.01 0.00 0.00 57.16 56.96 1sgo n GLU 72 Cb 0.33 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.29 1sgo n GLU 72 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1sgo n ARG 73 N -1.13 -4.00 -3.20 3.49 1.74 0.48 -4.97 116.66 109.06 1sgo n ARG 73 Ca 0.16 0.93 -0.41 0.00 -0.77 0.00 0.00 57.85 57.76 1sgo n ARG 73 Cb 0.13 -5.72 -0.07 0.00 -1.02 0.00 0.00 32.46 25.79 1sgo n ARG 73 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1sgo s ASN 74 N -2.54 6.42 -0.16 0.55 2.47 -1.26 -4.81 114.94 115.61 1sgo s ASN 74 Ca 0.22 0.35 -0.13 0.00 0.42 0.00 0.00 52.86 53.71 1sgo s ASN 74 Cb -0.10 -2.29 -0.05 0.00 -1.45 0.00 0.00 41.25 37.36 1sgo s ASN 74 CO 0.27 -0.40 0.27 -0.13 -3.72 0.00 0.00 177.10 173.40 1sgo s ARG 75 N 2.43 4.24 0.05 0.43 0.52 -1.26 -1.78 118.95 123.58 1sgo s ARG 75 Ca 0.22 0.06 0.09 0.00 -0.52 0.00 0.00 55.73 55.58 1sgo s ARG 75 Cb -0.15 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 31.87 1sgo s ARG 75 CO 0.11 0.26 -0.26 0.71 0.02 0.00 0.00 175.30 176.14 1sgo s TYR 76 N 0.42 2.28 -0.20 -0.53 2.02 0.58 -3.07 117.35 118.86 1sgo s TYR 76 Ca 0.16 -0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 56.41 1sgo s TYR 76 Cb -0.13 -1.35 -0.02 0.00 -0.40 0.00 0.00 41.96 40.06 1sgo s TYR 76 CO 0.03 0.14 -0.03 0.00 -1.57 0.00 0.00 175.55 174.12 1sgo s LEU 78 N 1.09 2.03 -0.58 0.00 1.43 0.58 -0.54 118.68 122.69 1sgo s LEU 78 Ca 0.02 -0.52 -0.19 0.00 -1.03 0.00 0.00 54.13 52.41 1sgo s LEU 78 Cb -0.15 -1.32 0.09 0.00 0.03 0.00 0.00 46.19 44.84 1sgo s LEU 78 CO 0.00 0.15 0.70 -0.70 0.23 0.00 0.00 176.35 176.73 1sgo s GLU 79 N 0.34 3.06 -0.52 1.70 2.12 0.78 -0.43 118.70 125.77 1sgo s GLU 79 Ca -0.17 -1.20 -0.26 0.00 0.36 0.00 0.00 54.97 53.70 1sgo s GLU 79 Cb -0.17 -4.23 0.03 0.00 0.26 0.00 0.00 34.13 30.02 1sgo s GLU 79 CO 0.08 -1.49 1.00 -1.17 -0.54 0.00 0.00 175.26 173.14 1sgo s LEU 80 N 2.75 3.89 0.45 2.70 2.96 0.54 -1.39 118.68 130.59 1sgo s LEU 80 Ca 0.13 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.06 1sgo s LEU 80 Cb -0.23 -3.10 -0.02 0.00 0.50 0.00 0.00 46.19 43.34 1sgo s LEU 80 CO 0.08 -1.21 0.09 0.42 -1.32 0.00 0.00 176.35 174.40 1sgo s THR 81 N 4.12 0.76 -0.41 3.68 -4.23 -0.00 -0.38 115.64 119.17 1sgo s THR 81 Ca 0.37 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.13 1sgo s THR 81 Cb -0.10 -2.25 0.26 0.00 1.34 0.00 0.00 72.50 71.75 1sgo s THR 81 CO 0.24 0.00 1.74 -0.08 -0.54 0.00 0.00 174.62 175.99 1sgo h GLU 82 N 1.60 0.00 -0.00 3.99 4.22 -1.95 -0.29 114.58 122.16 1sgo h GLU 82 Ca -0.38 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.06 1sgo h GLU 82 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1sgo h GLU 82 CO 0.62 0.00 -0.11 0.00 -2.18 0.00 0.00 179.01 177.34 1sgo n ALA 83 N -1.81 2.76 0.00 2.92 0.00 -1.26 -5.04 120.51 118.08 1sgo n ALA 83 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1sgo n ALA 83 Cb 0.23 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 1.30 -0.03 3.67 0.00 0.00 -0.12 -4.61 105.19 105.40 1sgo n GLY 84 Ca 0.14 -2.25 -0.37 0.00 0.00 0.00 0.00 46.02 43.54 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 4.13 -0.20 0.99 1.02 0.71 -0.82 118.68 124.51 1sgo s LEU 85 Ca 0.00 0.21 -0.02 0.00 0.02 0.00 0.00 54.13 54.34 1sgo s LEU 85 Cb 0.00 -2.19 0.00 0.00 0.02 0.00 0.00 46.19 44.02 1sgo s LEU 85 CO 0.00 0.05 -0.10 -0.75 0.02 0.00 0.00 176.35 175.56 1sgo s LYS 86 N 1.04 3.24 -0.41 1.70 2.20 -0.48 -1.27 119.74 125.75 1sgo s LYS 86 Ca 0.10 -0.70 -0.29 0.00 -0.36 0.00 0.00 55.97 54.72 1sgo s LYS 86 Cb -0.14 -2.83 0.00 0.00 -1.51 0.00 0.00 37.83 33.36 1sgo s LYS 86 CO 0.05 -0.18 1.50 0.54 -0.36 0.00 0.00 175.35 176.90 1sgo s VAL 87 N 1.35 3.79 -1.58 4.02 0.11 -1.26 -0.15 120.40 126.68 1sgo s VAL 87 Ca 0.05 0.79 0.21 0.00 -2.93 0.00 0.00 61.98 60.09 1sgo s VAL 87 Cb -0.14 -4.10 0.67 0.00 -1.53 0.00 0.00 36.38 31.28 1sgo s VAL 87 CO -0.06 -0.73 1.57 1.33 -3.33 0.00 0.00 175.10 173.88 1sgo n VAL 88 N 7.14 1.36 0.00 2.04 0.24 0.30 -4.69 118.33 124.71 1sgo n VAL 88 Ca 0.18 -1.09 0.00 0.00 -2.04 0.00 0.00 64.34 61.39 1sgo n VAL 88 Cb 0.48 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 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 1.39 1.74 2.38 7.63 0.00 -1.23 -0.65 105.19 116.45 1sgo n GLY 89 Ca 0.25 -1.34 -0.26 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.30 1.54 -3.53 1.61 4.11 -1.26 -0.52 117.16 117.82 1sgo n TYR 90 Ca 0.00 -3.85 -0.08 0.00 -0.00 0.00 0.00 57.90 53.98 1sgo n TYR 90 Cb 0.00 -0.39 -0.02 0.00 -0.00 0.00 0.00 39.34 38.93 1sgo n TYR 90 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1sgo s ALA 91 N -1.59 -1.86 -0.22 -3.48 0.00 -1.17 -4.79 121.76 108.65 1sgo s ALA 91 Ca 0.36 1.08 -0.29 0.00 0.00 0.00 0.00 51.96 53.11 1sgo s ALA 91 Cb 0.12 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 1sgo s ALA 91 CO -0.09 -0.69 1.42 0.12 0.00 0.00 0.00 175.76 176.53 1sgo s PHE 92 N -3.01 2.47 -0.95 0.00 5.36 -1.26 -2.75 117.98 117.85 1sgo s PHE 92 Ca 0.06 0.74 0.00 0.00 -0.96 0.00 0.00 56.93 56.77 1sgo s PHE 92 Cb -0.01 -3.84 0.00 0.00 -0.34 0.00 0.00 43.02 38.83 1sgo s PHE 92 CO -0.08 -2.29 0.00 -0.25 -1.46 0.00 0.00 175.22 171.14 1sgo n ASP 93 N 7.61 -3.62 -4.55 6.13 9.92 -1.26 -5.02 116.55 125.77 1sgo n ASP 93 Ca 0.16 0.01 -0.36 0.00 -0.53 0.00 0.00 54.79 54.07 1sgo n ASP 93 Cb 0.45 -2.81 -0.11 0.00 -0.64 0.00 0.00 41.12 38.01 1sgo n ASP 93 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1sgo s GLN 94 N -4.45 3.84 -0.22 -1.24 0.74 -1.11 -5.04 119.66 112.18 1sgo s GLN 94 Ca 0.00 -0.39 -0.02 0.00 0.05 0.00 0.00 55.36 55.00 1sgo s GLN 94 Cb 0.00 -3.36 0.07 0.00 1.10 0.00 0.00 33.01 30.82 1sgo s GLN 94 CO 0.00 -0.02 0.03 0.08 -0.55 0.00 0.00 175.29 174.83 1sgo s VAL 95 N 1.19 0.79 -0.32 1.34 1.01 -1.26 -4.23 120.40 118.92 1sgo s VAL 95 Ca 0.05 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 1sgo s VAL 95 Cb -0.14 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1sgo s VAL 95 CO 0.04 -0.28 0.47 -0.62 0.00 0.00 0.00 175.10 174.71 1sgo s ASP 96 N 1.72 6.31 0.00 3.32 -1.08 0.17 -4.94 116.67 122.17 1sgo s ASP 96 Ca 0.00 0.10 0.30 0.00 -0.52 0.00 0.00 52.55 52.43 1sgo s ASP 96 Cb -0.17 -2.25 1.45 0.00 -1.46 0.00 0.00 42.92 40.49 1sgo s ASP 96 CO -0.11 -0.37 1.99 -0.90 0.52 0.00 0.00 175.17 176.30 1sgo n ASP 97 N 5.59 0.29 -1.07 -0.34 5.75 -1.26 -2.84 116.55 122.67 1sgo n ASP 97 Ca -0.06 -0.59 0.11 0.00 -0.01 0.00 0.00 54.79 54.24 1sgo n ASP 97 Cb 0.49 -0.12 0.19 0.00 -1.03 0.00 0.00 41.12 40.66 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 -1.00 0.45 -2.77 2.11 8.25 -1.26 -4.88 115.22 116.11 1sgo n HIS 98 Ca 0.17 -0.25 -0.42 0.00 -0.26 0.00 0.00 57.72 56.96 1sgo n HIS 98 Cb 0.23 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.42 4.17 -0.43 2.41 1.43 -1.13 -4.92 118.68 118.79 1sgo s LEU 99 Ca 0.35 1.32 0.05 0.00 -1.03 0.00 0.00 54.13 54.82 1sgo s LEU 99 Cb 0.21 -3.40 0.60 0.00 0.03 0.00 0.00 46.19 43.63 1sgo s LEU 99 CO 0.29 -0.49 1.80 0.00 0.23 0.00 0.00 176.35 178.19 1sgo n GLN 100 N 5.49 2.23 -1.61 1.70 1.13 -1.26 -5.01 117.38 120.05 1sgo n GLN 100 Ca 0.08 -3.12 -0.48 0.00 -1.94 0.00 0.00 57.00 51.54 1sgo n GLN 100 Cb 0.48 -2.10 -0.04 0.00 0.11 0.00 0.00 30.24 28.68 1sgo n GLN 100 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1sgo n THR 101 N -1.11 0.70 -1.89 5.09 -2.24 -1.26 -4.91 114.28 108.67 1sgo n THR 101 Ca 0.53 -0.18 -0.38 0.00 -2.27 0.00 0.00 64.05 61.76 1sgo n THR 101 Cb 1.39 -1.02 0.03 0.00 -2.10 0.00 0.00 70.33 68.63 1sgo n THR 101 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1sgo s PRO 102 N -0.16 3.33 0.42 -0.78 0.02 -1.26 -4.76 135.00 131.81 1sgo s PRO 102 Ca 0.74 2.15 -0.18 0.00 0.02 0.00 0.00 61.00 63.74 1sgo s PRO 102 Cb -0.81 -2.33 -0.10 0.00 0.02 0.00 0.00 34.50 31.28 1sgo s PRO 102 CO 0.50 -1.01 0.89 0.71 -0.33 0.00 0.00 177.00 177.75 1sgo s TYR 103 N -1.34 3.36 -0.02 6.54 1.51 -1.26 -4.58 117.35 121.55 1sgo s TYR 103 Ca 0.69 1.44 0.07 0.00 -1.01 0.00 0.00 57.07 58.26 1sgo s TYR 103 Cb -0.38 -2.73 -0.02 0.00 -0.11 0.00 0.00 41.96 38.72 1sgo s TYR 103 CO 0.46 -0.10 -0.23 -1.01 -1.11 0.00 0.00 175.55 173.55 1sgo s HIS 104 N -2.22 2.13 0.03 2.71 3.76 -0.40 -4.91 115.29 116.38 1sgo s HIS 104 Ca 0.59 -0.44 -0.23 0.00 -0.15 0.00 0.00 55.06 54.83 1sgo s HIS 104 Cb -0.10 -1.37 -0.12 0.00 1.11 0.00 0.00 32.58 32.10 1sgo s HIS 104 CO 0.19 -0.06 1.19 1.49 -0.85 0.00 0.00 174.74 176.70 1sgo h GLU 105 N 5.64 -0.78 -6.22 1.40 4.22 -1.88 0.20 114.58 117.17 1sgo h GLU 105 Ca -0.40 0.05 -0.58 0.00 0.08 0.00 0.00 59.36 58.51 1sgo h GLU 105 Cb 1.14 0.18 -0.08 0.00 0.50 0.00 0.00 28.75 30.49 1sgo h GLU 105 CO 0.47 -0.52 -0.58 0.95 -2.18 0.00 0.00 179.01 177.15 1sgo s THR 106 N -4.54 4.38 0.38 0.32 -4.23 -1.26 -4.41 115.64 106.28 1sgo s THR 106 Ca -0.12 -1.11 0.12 0.00 -1.18 0.00 0.00 61.69 59.40 1sgo s THR 106 Cb 0.01 -3.22 0.12 0.00 1.34 0.00 0.00 72.50 70.75 1sgo s THR 106 CO 0.36 -0.09 1.87 1.62 -0.54 0.00 0.00 174.62 177.83 1sgo h VAL 107 N 2.15 1.22 -0.09 2.29 3.04 -1.99 -2.65 116.25 120.21 1sgo h VAL 107 Ca -0.47 -1.06 -0.03 0.00 -1.01 0.00 0.00 66.70 64.13 1sgo h VAL 107 Cb 1.20 1.52 -0.00 0.00 -2.01 0.00 0.00 31.29 31.99 1sgo h VAL 107 CO 0.63 0.31 -0.06 1.88 -1.01 0.00 0.00 177.57 179.31 1sgo h TYR 108 N 0.06 0.24 -0.15 3.17 0.05 -1.98 0.66 116.97 119.03 1sgo h TYR 108 Ca 0.01 -0.07 -0.04 0.00 0.05 0.00 0.00 58.73 58.68 1sgo h TYR 108 Cb 0.54 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 1sgo h TYR 108 CO 0.00 0.60 -0.11 0.77 -1.05 0.00 0.00 178.16 178.37 1sgo h SER 109 N -0.19 0.21 0.08 3.88 0.02 -1.97 -1.06 113.55 114.52 1sgo h SER 109 Ca 0.02 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1sgo h SER 109 Cb 0.54 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1sgo h SER 109 CO 0.02 0.35 -0.04 0.25 -1.14 0.00 0.00 176.83 176.27 1sgo h LEU 110 N 0.22 -0.09 -2.09 5.07 5.85 -1.28 -3.14 115.31 119.85 1sgo h LEU 110 Ca 0.05 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1sgo h LEU 110 Cb 0.34 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1sgo h LEU 110 CO 0.02 0.51 -0.03 0.25 -0.34 0.00 0.00 178.44 178.85 1sgo h LEU 111 N -0.75 0.00 -1.03 2.25 5.85 -0.73 -0.98 115.31 119.92 1sgo h LEU 111 Ca -0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1sgo h LEU 111 Cb 0.59 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1sgo h LEU 111 CO 0.02 0.03 0.21 -0.78 -0.34 0.00 0.00 178.44 177.58 1sgo h ASP 112 N 0.00 0.83 0.84 1.25 3.58 -1.20 -1.43 116.42 120.30 1sgo h ASP 112 Ca -0.00 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1sgo h ASP 112 Cb 0.06 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.89 1sgo h ASP 112 CO 0.00 0.77 -0.19 0.35 -2.88 0.00 0.00 179.24 177.29 1sgo n THR 113 N -4.30 0.04 0.07 2.25 -2.24 -0.39 -4.06 114.28 105.66 1sgo n THR 113 Ca 0.05 -0.02 0.03 0.00 -2.27 0.00 0.00 64.05 61.84 1sgo n THR 113 Cb 0.19 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.55 0.08 -3.72 3.22 4.77 -0.97 -5.00 117.00 113.82 1sgo n LEU 114 Ca 0.06 -0.14 -0.12 0.00 -0.03 0.00 0.00 56.01 55.78 1sgo n LEU 114 Cb 0.35 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.31 1sgo n LEU 114 CO 0.30 0.02 -0.12 -0.55 -1.33 0.00 0.00 177.39 175.71 1sgo s SER 115 N -2.40 -0.25 0.47 -1.43 0.15 -0.58 -5.00 113.70 104.67 1sgo s SER 115 Ca -0.01 0.53 0.30 0.00 0.70 0.00 0.00 55.95 57.48 1sgo s SER 115 Cb 0.04 0.43 1.15 0.00 -1.71 0.00 0.00 66.02 65.92 1sgo s SER 115 CO 0.25 -0.17 1.88 1.55 1.20 0.00 0.00 173.24 177.96 1sgo h PRO 116 N 7.24 0.00 0.00 5.44 0.13 -1.86 -3.04 132.00 139.91 1sgo h PRO 116 Ca -0.40 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.65 1sgo h PRO 116 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1sgo h PRO 116 CO 0.37 0.00 -0.40 0.00 -0.23 0.00 0.00 178.00 177.73 1sgo h ALA 117 N 2.07 1.32 -0.66 -0.56 0.00 -1.94 -0.98 119.26 118.50 1sgo h ALA 117 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1sgo h ALA 117 Cb 0.56 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1sgo h ALA 117 CO 0.00 0.50 0.38 -0.92 0.00 0.00 0.00 179.25 179.21 1sgo h TYR 118 N 0.00 0.90 0.00 0.00 3.20 -1.62 0.14 116.97 119.58 1sgo h TYR 118 Ca -0.00 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 1sgo h TYR 118 Cb 0.72 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1sgo h TYR 118 CO 0.00 0.63 -0.44 0.00 -1.64 0.00 0.00 178.16 176.71 1sgo h ARG 119 N 0.90 0.00 0.65 1.82 3.08 -1.49 0.29 114.38 119.63 1sgo h ARG 119 Ca 0.23 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 1sgo h ARG 119 Cb 0.02 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.07 1sgo h ARG 119 CO -0.04 0.44 -0.31 1.49 -1.07 0.00 0.00 179.97 180.48 1sgo h GLU 120 N 0.00 -0.84 0.00 0.04 4.81 -0.82 -3.10 114.58 114.66 1sgo h GLU 120 Ca -0.00 0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1sgo h GLU 120 Cb 1.02 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1sgo h GLU 120 CO 0.06 -0.52 -0.11 0.00 -0.73 0.00 0.00 179.01 177.70 1sgo h ALA 121 N -0.94 1.64 -0.33 2.92 0.00 -0.79 -2.27 119.26 119.49 1sgo h ALA 121 Ca -0.09 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1sgo h ALA 121 Cb 0.71 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1sgo h ALA 121 CO 0.15 0.14 0.14 0.35 0.00 0.00 0.00 179.25 180.03 1sgo h PHE 122 N 0.00 0.25 -0.66 0.00 3.57 -0.44 0.32 116.94 119.98 1sgo h PHE 122 Ca -0.00 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1sgo h PHE 122 Cb 0.22 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1sgo h PHE 122 CO 0.00 0.12 0.26 0.78 -2.23 0.00 0.00 178.31 177.24 1sgo h GLY 123 N 0.29 1.07 1.18 2.40 0.00 -1.34 -1.34 103.07 105.35 1sgo h GLY 123 Ca 0.14 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 1sgo h GLY 123 CO -0.13 0.56 0.18 3.43 0.00 0.00 0.00 176.54 180.58 1sgo h ASN 124 N 0.94 0.96 -0.51 0.19 4.21 -1.28 -1.78 115.58 118.31 1sgo h ASN 124 Ca 0.22 -0.18 -0.02 0.00 1.21 0.00 0.00 56.30 57.53 1sgo h ASN 124 Cb 0.22 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.15 1sgo h ASN 124 CO -0.02 0.91 0.25 0.00 -1.29 0.00 0.00 177.43 177.29 1sgo h ALA 125 N 1.21 0.66 -0.08 -0.83 0.00 0.03 -0.13 119.26 120.13 1sgo h ALA 125 Ca 0.21 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1sgo h ALA 125 Cb 0.32 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1sgo h ALA 125 CO -0.00 0.22 0.04 -0.07 0.00 0.00 0.00 179.25 179.44 1sgo h LEU 126 N 0.69 0.09 -1.15 0.00 4.07 -0.91 -0.48 115.31 117.62 1sgo h LEU 126 Ca 0.18 -0.07 -0.08 0.00 0.08 0.00 0.00 57.88 57.98 1sgo h LEU 126 Cb 0.11 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 1sgo h LEU 126 CO -0.02 0.14 -0.39 0.17 -1.08 0.00 0.00 178.44 177.26 1sgo h LEU 127 N 0.04 0.00 -0.29 1.67 8.10 -1.22 -1.90 115.31 121.70 1sgo h LEU 127 Ca 0.03 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.83 1sgo h LEU 127 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.29 1sgo h LEU 127 CO -0.00 0.39 -0.59 -0.61 -4.11 0.00 0.00 178.44 173.52 1sgo h GLN 128 N 0.00 0.84 -0.79 0.17 -0.00 -0.77 -0.97 115.11 113.59 1sgo h GLN 128 Ca -0.00 -0.56 -0.02 0.00 -0.00 0.00 0.00 58.65 58.07 1sgo h GLN 128 Cb 0.77 0.08 -0.04 0.00 0.00 0.00 0.00 27.48 28.29 1sgo h GLN 128 CO 0.05 1.19 0.40 0.00 0.00 0.00 0.00 178.83 180.47 1sgo h ARG 129 N 0.63 1.11 -0.34 1.69 -0.00 -0.68 0.24 114.38 117.04 1sgo h ARG 129 Ca 0.00 -0.14 -0.10 0.00 -0.50 0.00 0.00 59.98 59.24 1sgo h ARG 129 Cb 1.20 -0.21 -0.01 0.00 0.00 0.00 0.00 29.97 30.95 1sgo h ARG 129 CO 0.13 0.84 -0.19 -0.07 0.00 0.00 0.00 179.97 180.67 1sgo h LEU 130 N 1.11 0.76 -0.39 3.04 3.38 -1.23 0.56 115.31 122.54 1sgo h LEU 130 Ca 0.28 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1sgo h LEU 130 Cb 0.07 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1sgo h LEU 130 CO -0.04 1.01 0.25 -0.33 0.09 0.00 0.00 178.44 179.42 1sgo h GLU 131 N 0.51 0.50 -0.06 1.13 4.39 -0.85 -1.48 114.58 118.72 1sgo h GLU 131 Ca 0.07 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 1sgo h GLU 131 Cb 0.74 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1sgo h GLU 131 CO 0.06 0.33 -0.12 0.00 -1.16 0.00 0.00 179.01 178.11 1sgo h ALA 132 N 1.15 1.69 -0.50 3.43 0.00 -0.35 -1.34 119.26 123.35 1sgo h ALA 132 Ca 0.15 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1sgo h ALA 132 Cb -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1sgo h ALA 132 CO -0.04 0.23 -0.13 1.25 0.00 0.00 0.00 179.25 180.56 1sgo h LEU 133 N 0.09 0.94 -1.23 0.00 6.46 -0.19 0.17 115.31 121.55 1sgo h LEU 133 Ca 0.02 -0.31 -0.08 0.00 -0.12 0.00 0.00 57.88 57.39 1sgo h LEU 133 Cb 0.27 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 1sgo h LEU 133 CO 0.02 1.07 -0.37 0.11 -0.62 0.00 0.00 178.44 178.65 1sgo h LYS 134 N 0.83 0.03 0.00 1.25 1.79 -0.37 -2.85 116.57 117.26 1sgo h LYS 134 Ca 0.13 -0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.54 1sgo h LYS 134 Cb 0.67 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 1sgo h LYS 134 CO 0.05 0.40 -0.65 0.00 -1.08 0.00 0.00 179.45 178.17 1sgo h ARG 135 N 0.03 0.00 -6.31 3.15 3.08 -0.83 -3.45 114.38 110.05 1sgo h ARG 135 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1sgo h ARG 135 Cb 0.66 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 1sgo h ARG 135 CO 0.05 0.15 1.22 0.34 -1.07 0.00 0.00 179.97 180.65 1sgo s ASP 136 N -5.92 6.07 0.00 7.04 2.15 0.54 -4.80 116.67 121.75 1sgo s ASP 136 Ca 0.02 1.34 0.00 0.00 0.43 0.00 0.00 52.55 54.34 1sgo s ASP 136 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1sgo s ASP 136 CO 0.75 -1.56 0.00 0.61 -0.17 0.00 0.00 175.17 174.80 1sgo n GLY 137 N 5.20 -0.67 3.56 2.66 0.00 -1.26 -4.99 105.19 109.68 1sgo n GLY 137 Ca 0.21 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1sgo n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sgo s GLN 138 N -0.48 3.81 0.00 1.61 0.74 -1.26 -5.26 119.66 118.81 1sgo s GLN 138 Ca 0.00 -0.44 0.10 0.00 0.05 0.00 0.00 55.36 55.06 1sgo s GLN 138 Cb 0.00 -3.05 0.08 0.00 1.10 0.00 0.00 33.01 31.14 1sgo s GLN 138 CO 0.00 0.25 0.80 0.43 -0.55 0.00 0.00 175.29 176.23