#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 -3.80 -2.67 2.12 1.02 -1.26 -4.73 120.64 111.33 1sgo n GLU 2 Ca 0.00 2.75 -0.19 0.00 -0.02 0.00 0.00 57.16 59.70 1sgo n GLU 2 Cb 0.00 -3.01 0.01 0.00 -0.02 0.00 0.00 31.44 28.42 1sgo n GLU 2 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1sgo n THR 3 N 0.32 -1.38 -1.68 2.62 -1.04 -1.26 -4.89 114.28 106.97 1sgo n THR 3 Ca 0.00 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.55 1sgo n THR 3 Cb 0.00 -3.01 -0.04 0.00 -1.82 0.00 0.00 70.33 65.46 1sgo n THR 3 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1sgo n ASP 4 N -1.85 3.36 -0.17 8.00 9.92 -1.26 -4.86 116.55 129.69 1sgo n ASP 4 Ca -0.16 1.03 0.14 0.00 -0.53 0.00 0.00 54.79 55.27 1sgo n ASP 4 Cb 0.64 -1.42 0.52 0.00 -0.64 0.00 0.00 41.12 40.21 1sgo n ASP 4 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1sgo s ASN 6 N -2.47 6.17 0.00 0.00 2.47 -1.26 -4.94 114.94 114.91 1sgo s ASN 6 Ca 0.27 -0.78 0.17 0.00 0.42 0.00 0.00 52.86 52.94 1sgo s ASN 6 Cb 0.20 -2.21 0.50 0.00 -1.45 0.00 0.00 41.25 38.29 1sgo s ASN 6 CO 0.49 -0.57 1.40 -0.81 -3.72 0.00 0.00 177.10 173.89 1sgo n PRO 7 N 5.49 2.00 -3.84 0.43 -0.04 -1.26 -4.74 135.00 133.04 1sgo n PRO 7 Ca -0.08 -1.54 -0.30 0.00 -0.04 0.00 0.00 63.50 61.54 1sgo n PRO 7 Cb 0.47 -1.38 -0.16 0.00 -0.04 0.00 0.00 33.50 32.40 1sgo n PRO 7 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1sgo s MET 8 N -1.52 1.11 -0.19 0.54 1.75 -1.26 -5.11 119.30 114.63 1sgo s MET 8 Ca 0.32 -1.00 -0.10 0.00 -1.25 0.00 0.00 55.69 53.66 1sgo s MET 8 Cb 0.17 -2.37 -0.05 0.00 2.84 0.00 0.00 34.83 35.42 1sgo s MET 8 CO 0.23 -0.77 0.14 -1.21 -0.65 0.00 0.00 175.02 172.76 1sgo s GLU 9 N 1.51 4.09 -0.07 4.11 2.02 -1.26 -5.01 118.70 124.08 1sgo s GLU 9 Ca 0.02 -0.19 -0.01 0.00 0.02 0.00 0.00 54.97 54.81 1sgo s GLU 9 Cb -0.18 -3.39 -0.00 0.00 0.10 0.00 0.00 34.13 30.66 1sgo s GLU 9 CO -0.13 0.37 -0.01 1.25 0.02 0.00 0.00 175.26 176.76 1sgo h LEU 10 N 6.42 0.00 -5.94 1.80 6.46 -1.99 -3.45 115.31 118.61 1sgo h LEU 10 Ca -0.43 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.05 1sgo h LEU 10 Cb 1.16 0.00 -0.26 0.00 -0.73 0.00 0.00 40.66 40.83 1sgo h LEU 10 CO 0.73 0.33 -0.63 -0.44 -0.62 0.00 0.00 178.44 177.81 1sgo s SER 11 N -4.63 -0.03 0.00 1.25 0.01 -1.26 -5.04 113.70 104.00 1sgo s SER 11 Ca -0.01 -1.70 0.00 0.00 1.31 0.00 0.00 55.95 55.55 1sgo s SER 11 Cb 0.00 1.04 0.00 0.00 0.21 0.00 0.00 66.02 67.27 1sgo s SER 11 CO 0.02 -0.17 0.00 -1.20 0.41 0.00 0.00 173.24 172.29 1sgo n SER 12 N 3.71 0.00 0.00 2.44 7.64 -1.26 -3.65 113.62 122.50 1sgo n SER 12 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1sgo n SER 12 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.00 0.00 -3.57 1.43 0.00 -1.26 -4.95 117.12 108.78 1sgo n MET 13 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.63 1sgo n MET 13 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 33.22 33.25 1sgo n MET 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1sgo n SER 14 N -1.59 -2.04 -4.40 7.83 7.64 -1.24 -4.84 113.62 114.98 1sgo n SER 14 Ca 0.00 -2.37 -0.37 0.00 1.01 0.00 0.00 58.87 57.14 1sgo n SER 14 Cb 0.00 3.39 -0.03 0.00 -1.01 0.00 0.00 64.21 66.56 1sgo n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sgo n GLY 15 N -0.52 2.12 3.59 0.23 0.00 -1.26 -4.89 105.19 104.46 1sgo n GLY 15 Ca -0.07 -1.14 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 1sgo n GLY 15 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sgo s PHE 16 N 6.97 2.05 0.70 1.61 0.08 -1.26 -5.16 117.98 122.96 1sgo s PHE 16 Ca 0.59 -0.95 0.01 0.00 0.12 0.00 0.00 56.93 56.71 1sgo s PHE 16 Cb 0.04 -1.48 0.12 0.00 -0.57 0.00 0.00 43.02 41.14 1sgo s PHE 16 CO 0.09 0.12 0.96 -1.83 -0.10 0.00 0.00 175.22 174.47 1sgo s GLU 17 N -3.80 1.76 0.04 0.44 -1.05 -1.26 -5.03 118.70 109.80 1sgo s GLU 17 Ca 0.26 -1.19 -0.18 0.00 -0.15 0.00 0.00 54.97 53.71 1sgo s GLU 17 Cb 0.06 -2.38 -0.19 0.00 -0.44 0.00 0.00 34.13 31.18 1sgo s GLU 17 CO 0.13 -1.37 1.21 1.49 0.95 0.00 0.00 175.26 177.67 1sgo h GLU 18 N -0.43 0.52 0.00 -4.83 4.81 -2.01 -3.50 114.58 109.13 1sgo h GLU 18 Ca -0.35 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.43 1sgo h GLU 18 Cb 1.27 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1sgo h GLU 18 CO 0.40 1.08 0.00 0.41 -0.73 0.00 0.00 179.01 180.17 1sgo n GLY 19 N 0.79 -1.68 0.43 1.92 0.00 -1.26 -4.96 105.19 100.43 1sgo n GLY 19 Ca -0.09 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 0.29 0.00 -3.72 1.61 7.64 -1.26 -5.12 113.62 113.06 1sgo n SER 20 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1sgo n SER 20 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 1sgo n SER 20 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1sgo s GLU 21 N -0.25 0.14 2.26 1.43 2.12 -1.26 -5.10 118.70 118.04 1sgo s GLU 21 Ca 0.00 0.50 0.00 0.00 0.36 0.00 0.00 54.97 55.83 1sgo s GLU 21 Cb 0.00 -0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.24 1sgo s GLU 21 CO 0.00 -0.19 0.00 1.28 -0.54 0.00 0.00 175.26 175.81 1sgo n LEU 22 N 4.45 0.00 0.06 2.70 7.99 -1.26 -4.91 117.00 126.03 1sgo n LEU 22 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.78 1sgo n LEU 22 Cb 0.52 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.83 1sgo n LEU 22 CO 0.13 -0.92 0.00 -3.20 -1.51 0.00 0.00 177.39 171.89 1sgo n ASN 23 N -2.46 0.36 0.00 -1.43 5.15 -1.26 -5.04 115.26 110.58 1sgo n ASN 23 Ca 0.00 0.19 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 1sgo n ASN 23 Cb 0.00 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 1sgo n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sgo n GLY 24 N 2.64 -0.13 0.89 8.20 0.00 -1.26 -4.99 105.19 110.53 1sgo n GLY 24 Ca 0.00 0.76 0.08 0.00 0.00 0.00 0.00 46.02 46.85 1sgo n GLY 24 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sgo n PHE 25 N 0.00 0.87 -0.34 1.61 3.72 -1.26 -4.98 117.46 117.08 1sgo n PHE 25 Ca 0.00 -0.76 0.00 0.00 -0.05 0.00 0.00 57.45 56.64 1sgo n PHE 25 Cb 0.00 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 1sgo n PHE 25 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1sgo n GLU 26 N -0.12 3.51 0.00 -1.08 4.71 -1.26 -4.98 120.64 121.42 1sgo n GLU 26 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.34 1sgo n GLU 26 Cb 0.77 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.20 1sgo n GLU 26 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sgo n GLY 27 N 5.00 0.87 2.26 0.62 0.00 -1.26 -5.07 105.19 107.60 1sgo n GLY 27 Ca 0.00 -1.28 -0.01 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00-12.24 -1.68 2.61 -1.04 -1.26 -4.87 114.28 95.80 1sgo n THR 28 Ca 0.00 2.79 -0.45 0.00 -2.04 0.00 0.00 64.05 64.35 1sgo n THR 28 Cb 0.00 -5.88 -0.04 0.00 -1.82 0.00 0.00 70.33 62.59 1sgo n THR 28 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1sgo n ASP 29 N 1.62 3.36 -4.52 8.00 2.03 -1.26 -4.73 116.55 121.06 1sgo n ASP 29 Ca -0.07 1.08 -0.34 0.00 0.52 0.00 0.00 54.79 55.98 1sgo n ASP 29 Cb 0.11 -1.47 -0.11 0.00 -0.72 0.00 0.00 41.12 38.92 1sgo n ASP 29 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1sgo n MET 30 N 3.55 0.40 -1.05 -0.67 2.81 -1.26 -4.72 117.12 116.17 1sgo n MET 30 Ca 0.17 -0.10 0.04 0.00 -1.81 0.00 0.00 57.70 56.00 1sgo n MET 30 Cb 0.31 -2.30 0.13 0.00 -0.71 0.00 0.00 33.22 30.64 1sgo n MET 30 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1sgo n LYS 31 N 8.27 1.12 -1.66 0.03 4.01 -1.26 -5.03 118.16 123.63 1sgo n LYS 31 Ca 0.55 -2.89 -0.47 0.00 -0.51 0.00 0.00 58.31 54.99 1sgo n LYS 31 Cb 0.26 -1.07 -0.04 0.00 -0.51 0.00 0.00 35.03 33.66 1sgo n LYS 31 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1sgo n ASP 32 N -0.51 2.95 -0.06 4.39 9.92 -1.26 -4.86 116.55 127.12 1sgo n ASP 32 Ca 0.15 1.08 0.02 0.00 -0.53 0.00 0.00 54.79 55.51 1sgo n ASP 32 Cb 0.87 -1.39 0.34 0.00 -0.64 0.00 0.00 41.12 40.30 1sgo n ASP 32 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 1sgo h MET 33 N 6.11 0.67 0.00 -1.24 4.05 -1.53 -1.49 114.93 121.50 1sgo h MET 33 Ca -0.46 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 58.88 1sgo h MET 33 Cb 1.27 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.92 1sgo h MET 33 CO 0.88 0.50 -0.12 -0.09 0.23 0.00 0.00 176.91 178.31 1sgo h ARG 34 N 0.68 0.00 0.03 0.39 2.43 -1.88 0.74 114.38 116.77 1sgo h ARG 34 Ca 0.18 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.21 1sgo h ARG 34 Cb 0.01 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1sgo h ARG 34 CO -0.03 0.12 -0.57 -0.07 -1.51 0.00 0.00 179.97 177.91 1sgo h LEU 35 N 0.00 0.45 -1.53 3.80 3.38 -1.64 -0.80 115.31 118.96 1sgo h LEU 35 Ca -0.00 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.16 1sgo h LEU 35 Cb 0.75 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1sgo h LEU 35 CO 0.02 1.21 0.00 -0.33 0.09 0.00 0.00 178.44 179.42 1sgo h GLU 36 N -0.26 0.00 -0.07 1.13 4.39 -1.39 -2.67 114.58 115.71 1sgo h GLU 36 Ca -0.08 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.51 1sgo h GLU 36 Cb 1.32 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.97 1sgo h GLU 36 CO 0.11 0.00 -0.37 0.00 -1.16 0.00 0.00 179.01 177.59 1sgo h ALA 37 N 2.05 0.14 -0.99 3.43 0.00 -0.51 -2.40 119.26 120.98 1sgo h ALA 37 Ca 0.00 -0.47 0.10 0.00 0.00 0.00 0.00 54.91 54.55 1sgo h ALA 37 Cb 0.39 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 1sgo h ALA 37 CO 0.00 0.23 0.62 0.93 0.00 0.00 0.00 179.25 181.03 1sgo h GLU 38 N -0.11 0.99 -0.23 0.00 4.39 -0.85 -1.25 114.58 117.52 1sgo h GLU 38 Ca -0.03 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1sgo h GLU 38 Cb 1.03 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1sgo h GLU 38 CO 0.08 0.66 0.13 0.00 -1.16 0.00 0.00 179.01 178.72 1sgo h ALA 39 N 1.51 0.28 -0.46 3.43 0.00 -1.41 -2.49 119.26 120.12 1sgo h ALA 39 Ca 0.47 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.39 1sgo h ALA 39 Cb 0.40 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1sgo h ALA 39 CO -0.24 -0.26 0.29 0.28 0.00 0.00 0.00 179.25 179.32 1sgo h VAL 40 N 0.28 1.09 -0.66 0.00 2.07 -0.79 0.11 116.25 118.33 1sgo h VAL 40 Ca 0.09 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1sgo h VAL 40 Cb -0.01 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 1sgo h VAL 40 CO -0.04 0.11 0.44 0.58 0.02 0.00 0.00 177.57 178.68 1sgo h VAL 41 N 0.59 1.05 0.00 2.57 2.07 -1.07 -1.33 116.25 120.13 1sgo h VAL 41 Ca 0.18 -0.25 -0.19 0.00 0.82 0.00 0.00 66.70 67.26 1sgo h VAL 41 Cb -0.03 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 1sgo h VAL 41 CO -0.06 0.13 -1.10 -1.13 0.02 0.00 0.00 177.57 175.44 1sgo h ASN 42 N 0.73 0.00 0.01 0.57 -0.00 -0.98 -3.19 115.58 112.72 1sgo h ASN 42 Ca 0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.58 1sgo h ASN 42 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.49 1sgo h ASN 42 CO -0.08 0.78 -0.01 -0.78 -0.00 0.00 0.00 177.43 177.34 1sgo h ASP 43 N 0.00 -0.01 -0.45 1.15 3.58 0.21 -3.35 116.42 117.55 1sgo h ASP 43 Ca -0.09 -0.77 0.00 0.00 0.42 0.00 0.00 57.03 56.58 1sgo h ASP 43 Cb 1.68 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.73 1sgo h ASP 43 CO 0.09 0.79 0.00 1.33 -2.88 0.00 0.00 179.24 178.57 1sgo n VAL 44 N -4.71 1.88 -0.32 2.25 0.24 -0.60 -4.60 118.33 112.47 1sgo n VAL 44 Ca -0.09 -1.40 0.05 0.00 -2.04 0.00 0.00 64.34 60.87 1sgo n VAL 44 Cb 0.38 0.05 0.25 0.00 -1.47 0.00 0.00 33.84 33.05 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 2.87 0.90 0.00 1.34 5.85 -1.70 -1.49 115.31 123.08 1sgo h LEU 45 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1sgo h LEU 45 Cb 1.34 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1sgo h LEU 45 CO 0.20 0.55 0.00 2.22 -0.34 0.00 0.00 178.44 181.07 1sgo n PHE 46 N -4.52 0.00 0.64 1.25 1.16 -1.26 -1.99 117.46 112.74 1sgo n PHE 46 Ca 0.15 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.85 1sgo n PHE 46 Cb 0.26 -0.18 0.05 0.00 -1.61 0.00 0.00 39.48 38.00 1sgo n PHE 46 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1sgo n ALA 47 N -1.18 3.46 -3.52 1.98 0.00 -0.56 -4.90 120.51 115.80 1sgo n ALA 47 Ca 0.13 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1sgo n ALA 47 Cb 0.14 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1sgo n ALA 47 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1sgo n VAL 48 N -1.90 0.00 -0.10 0.00 0.24 -0.84 -4.01 118.33 111.72 1sgo n VAL 48 Ca 0.03 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.17 1sgo n VAL 48 Cb 0.42 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.66 1sgo n VAL 48 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1sgo n ASN 49 N -1.64 1.44 -3.62 -1.34 5.15 0.13 -4.60 115.26 110.79 1sgo n ASN 49 Ca 0.00 -0.04 -0.03 0.00 -0.60 0.00 0.00 54.58 53.91 1sgo n ASN 49 Cb 0.00 -0.09 -0.06 0.00 -0.53 0.00 0.00 39.78 39.10 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 -6.30 -0.60 0.00 1.20 2.47 -0.43 -5.02 114.94 106.26 1sgo s ASN 50 Ca -0.26 0.94 0.08 0.00 0.42 0.00 0.00 52.86 54.04 1sgo s ASN 50 Cb 0.08 1.32 -0.02 0.00 -1.45 0.00 0.00 41.25 41.18 1sgo s ASN 50 CO 0.69 -0.15 -0.24 -0.04 -3.72 0.00 0.00 177.10 173.64 1sgo s MET 51 N 1.56 2.05 -0.25 0.43 -1.94 -1.26 -0.12 119.30 119.77 1sgo s MET 51 Ca -0.08 -0.97 -0.08 0.00 -1.71 0.00 0.00 55.69 52.84 1sgo s MET 51 Cb -0.04 -2.06 0.11 0.00 2.01 0.00 0.00 34.83 34.84 1sgo s MET 51 CO -0.16 0.55 0.53 0.12 -0.01 0.00 0.00 175.02 176.05 1sgo s PHE 52 N -0.71 -1.05 0.39 -0.03 5.36 0.19 -5.01 117.98 117.12 1sgo s PHE 52 Ca 0.11 1.90 -0.27 0.00 -0.96 0.00 0.00 56.93 57.71 1sgo s PHE 52 Cb -0.10 0.54 -0.09 0.00 -0.34 0.00 0.00 43.02 43.03 1sgo s PHE 52 CO 0.01 -0.57 1.34 0.54 -1.46 0.00 0.00 175.22 175.08 1sgo s VAL 53 N 2.72 2.49 0.83 3.12 0.11 -1.26 -0.38 120.40 128.04 1sgo s VAL 53 Ca -0.04 0.46 -0.12 0.00 -2.93 0.00 0.00 61.98 59.36 1sgo s VAL 53 Cb -0.12 -3.28 0.10 0.00 -1.53 0.00 0.00 36.38 31.55 1sgo s VAL 53 CO -0.16 0.08 1.16 -0.44 -3.33 0.00 0.00 175.10 172.42 1sgo s SER 54 N -0.57 3.56 0.00 3.54 0.01 0.54 -4.79 113.70 115.99 1sgo s SER 54 Ca 0.55 2.19 0.00 0.00 1.31 0.00 0.00 55.95 60.00 1sgo s SER 54 Cb -0.40 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.26 1sgo s SER 54 CO 0.53 -2.68 0.07 2.29 0.41 0.00 0.00 173.24 173.85 1sgo n LYS 55 N -3.64 1.54 -0.13 12.44 2.85 -1.26 -4.76 118.16 125.20 1sgo n LYS 55 Ca 0.12 -0.07 0.06 0.00 -1.05 0.00 0.00 58.31 57.37 1sgo n LYS 55 Cb 0.52 -0.36 0.12 0.00 -0.65 0.00 0.00 35.03 34.66 1sgo n LYS 55 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1sgo n SER 56 N -0.24 2.65 0.00 -5.58 7.64 -1.26 -4.98 113.62 111.85 1sgo n SER 56 Ca 0.00 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 58.02 1sgo n SER 56 Cb 0.06 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 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 0.54 0.00 -4.27 -3.43 4.32 -1.26 -5.09 117.00 107.80 1sgo n LEU 57 Ca 0.10 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.82 1sgo n LEU 57 Cb 0.38 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 42.04 1sgo n LEU 57 CO 0.08 0.00 -0.54 0.00 -1.22 0.00 0.00 177.39 175.71 1sgo s ARG 58 N 1.69 1.60 -0.35 3.23 1.70 -1.26 -5.10 118.95 120.47 1sgo s ARG 58 Ca 0.00 -0.94 0.01 0.00 -0.47 0.00 0.00 55.73 54.33 1sgo s ARG 58 Cb 0.00 -1.69 0.11 0.00 -0.57 0.00 0.00 34.95 32.80 1sgo s ARG 58 CO 0.00 0.44 0.12 0.00 -1.08 0.00 0.00 175.30 174.78 1sgo n ALA 60 N 4.44 2.43 -0.78 0.00 0.00 -1.18 -4.93 120.51 120.49 1sgo n ALA 60 Ca 0.01 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1sgo n ALA 60 Cb 0.40 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 1.31 -0.29 0.04 0.00 8.00 -1.26 -4.63 116.55 119.72 1sgo n ASP 61 Ca 0.19 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.81 1sgo n ASP 61 Cb 0.56 -1.23 -0.04 0.00 -0.02 0.00 0.00 41.12 40.39 1sgo n ASP 61 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1sgo n ASP 62 N -0.03 0.53 -3.81 -2.24 5.75 -1.26 -1.24 116.55 114.25 1sgo n ASP 62 Ca 0.00 -0.03 -0.13 0.00 -0.01 0.00 0.00 54.79 54.63 1sgo n ASP 62 Cb 0.02 1.01 -0.12 0.00 -1.03 0.00 0.00 41.12 40.99 1sgo n ASP 62 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1sgo s VAL 63 N -3.32 -0.00 -0.10 2.12 0.11 -1.26 -4.24 120.40 113.70 1sgo s VAL 63 Ca -0.00 0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 1sgo s VAL 63 Cb 0.13 -0.24 0.05 0.00 -1.53 0.00 0.00 36.38 34.79 1sgo s VAL 63 CO 0.83 0.00 0.15 0.00 -3.33 0.00 0.00 175.10 172.75 1sgo s ALA 64 N 0.14 -0.08 -0.19 1.54 0.00 0.07 -3.10 121.76 120.15 1sgo s ALA 64 Ca -0.00 0.41 -0.23 0.00 0.00 0.00 0.00 51.96 52.13 1sgo s ALA 64 Cb -0.02 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 1sgo s ALA 64 CO -0.00 -0.68 0.73 0.71 0.00 0.00 0.00 175.76 176.52 1sgo s TYR 65 N 2.27 3.39 -0.07 0.00 1.51 -1.26 -0.59 117.35 122.60 1sgo s TYR 65 Ca 0.04 1.08 0.05 0.00 -1.01 0.00 0.00 57.07 57.23 1sgo s TYR 65 Cb -0.13 -2.91 -0.01 0.00 -0.11 0.00 0.00 41.96 38.80 1sgo s TYR 65 CO -0.06 -0.23 -0.23 0.42 -1.11 0.00 0.00 175.55 174.34 1sgo s ILE 66 N 2.10 2.23 -0.12 2.71 1.01 0.56 -0.34 121.20 129.35 1sgo s ILE 66 Ca 0.33 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 59.87 1sgo s ILE 66 Cb -0.16 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.43 1sgo s ILE 66 CO 0.11 0.57 0.26 0.20 0.00 0.00 0.00 174.94 176.08 1sgo s ASN 67 N -0.08 6.47 -0.15 3.58 0.01 0.49 -0.22 114.94 125.04 1sgo s ASN 67 Ca -0.05 0.56 -0.02 0.00 -0.71 0.00 0.00 52.86 52.63 1sgo s ASN 67 Cb -0.14 -2.16 0.05 0.00 0.41 0.00 0.00 41.25 39.41 1sgo s ASN 67 CO 0.04 0.23 0.01 0.54 -1.51 0.00 0.00 177.10 176.42 1sgo s VAL 68 N -0.23 0.54 -0.43 1.60 0.11 0.54 -0.64 120.40 121.89 1sgo s VAL 68 Ca 0.17 -0.34 -0.18 0.00 -2.93 0.00 0.00 61.98 58.69 1sgo s VAL 68 Cb -0.13 -0.90 0.03 0.00 -1.53 0.00 0.00 36.38 33.85 1sgo s VAL 68 CO 0.05 -0.02 0.49 -0.70 -3.33 0.00 0.00 175.10 171.60 1sgo s GLU 69 N 1.87 3.13 1.08 1.54 2.12 0.83 -0.54 118.70 128.73 1sgo s GLU 69 Ca 0.01 -0.69 -0.17 0.00 0.36 0.00 0.00 54.97 54.48 1sgo s GLU 69 Cb -0.15 -3.98 0.23 0.00 0.26 0.00 0.00 34.13 30.49 1sgo s GLU 69 CO -0.07 -0.91 1.17 0.95 -0.54 0.00 0.00 175.26 175.86 1sgo s THR 70 N 2.31 1.80 -2.00 -1.70 -4.23 -0.79 0.22 115.64 111.25 1sgo s THR 70 Ca 0.14 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 60.90 1sgo s THR 70 Cb -0.17 -2.67 0.70 0.00 1.34 0.00 0.00 72.50 71.69 1sgo s THR 70 CO 0.15 0.00 1.83 0.29 -0.54 0.00 0.00 174.62 176.34 1sgo n LYS 71 N -4.29 0.78 -0.02 3.99 5.02 -1.26 -0.50 118.16 121.89 1sgo n LYS 71 Ca 0.12 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.54 1sgo n LYS 71 Cb 0.59 -1.49 0.53 0.00 -0.02 0.00 0.00 35.03 34.64 1sgo n LYS 71 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1sgo n GLU 72 N -0.99 1.61 -1.39 1.97 4.71 -1.26 -4.92 120.64 120.36 1sgo n GLU 72 Ca 0.18 -0.89 -0.14 0.00 -0.01 0.00 0.00 57.16 56.31 1sgo n GLU 72 Cb 0.08 -1.46 -0.06 0.00 -1.01 0.00 0.00 31.44 29.00 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 0.09 -0.97 -3.59 3.49 1.74 0.35 -4.99 116.66 112.77 1sgo n ARG 73 Ca 0.19 0.97 -0.37 0.00 -0.77 0.00 0.00 57.85 57.87 1sgo n ARG 73 Cb 0.32 -5.06 -0.07 0.00 -1.02 0.00 0.00 32.46 26.64 1sgo n ARG 73 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1sgo s ASN 74 N -2.84 6.48 -0.41 0.55 0.01 -1.26 -4.87 114.94 112.61 1sgo s ASN 74 Ca 0.00 0.57 -0.17 0.00 -0.71 0.00 0.00 52.86 52.55 1sgo s ASN 74 Cb 0.00 -2.17 0.02 0.00 0.41 0.00 0.00 41.25 39.50 1sgo s ASN 74 CO 0.00 0.19 0.45 -0.13 -1.51 0.00 0.00 177.10 176.10 1sgo s ARG 75 N -0.04 3.21 -0.19 -0.60 0.52 -1.26 -1.88 118.95 118.71 1sgo s ARG 75 Ca 0.17 -0.63 -0.05 0.00 -0.52 0.00 0.00 55.73 54.70 1sgo s ARG 75 Cb -0.13 -3.93 -0.02 0.00 0.52 0.00 0.00 34.95 31.38 1sgo s ARG 75 CO 0.05 -0.81 -0.01 0.71 0.02 0.00 0.00 175.30 175.26 1sgo s TYR 76 N 2.20 3.03 -0.14 -0.53 2.02 0.30 -3.40 117.35 120.83 1sgo s TYR 76 Ca 0.13 -0.43 -0.13 0.00 -0.37 0.00 0.00 57.07 56.27 1sgo s TYR 76 Cb -0.17 -2.05 -0.05 0.00 -0.40 0.00 0.00 41.96 39.30 1sgo s TYR 76 CO 0.14 -0.19 0.29 0.00 -1.57 0.00 0.00 175.55 174.22 1sgo s LEU 78 N 0.22 2.04 -0.58 0.00 1.43 0.70 -1.15 118.68 121.34 1sgo s LEU 78 Ca 0.17 -0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 52.62 1sgo s LEU 78 Cb -0.13 -1.24 0.09 0.00 0.03 0.00 0.00 46.19 44.93 1sgo s LEU 78 CO 0.04 0.26 0.71 -0.70 0.23 0.00 0.00 176.35 176.89 1sgo s GLU 79 N -0.33 3.08 -0.34 1.70 2.12 0.92 -0.33 118.70 125.52 1sgo s GLU 79 Ca 0.03 -1.14 -0.28 0.00 0.36 0.00 0.00 54.97 53.94 1sgo s GLU 79 Cb -0.11 -4.21 0.02 0.00 0.26 0.00 0.00 34.13 30.08 1sgo s GLU 79 CO 0.01 -1.49 1.01 -1.17 -0.54 0.00 0.00 175.26 173.09 1sgo s LEU 80 N 2.84 3.95 0.44 2.70 2.96 0.24 -2.00 118.68 129.80 1sgo s LEU 80 Ca 0.14 0.87 0.03 0.00 -0.22 0.00 0.00 54.13 54.95 1sgo s LEU 80 Cb -0.22 -3.43 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 1sgo s LEU 80 CO 0.08 -0.87 0.10 0.42 -1.32 0.00 0.00 176.35 174.76 1sgo s THR 81 N 3.58 0.74 -1.00 3.68 -4.23 -0.18 -0.75 115.64 117.48 1sgo s THR 81 Ca 0.42 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.15 1sgo s THR 81 Cb -0.12 -2.29 0.18 0.00 1.34 0.00 0.00 72.50 71.61 1sgo s THR 81 CO 0.17 0.00 1.69 1.21 -0.54 0.00 0.00 174.62 177.15 1sgo n GLU 82 N -1.02 0.00 0.03 3.99 2.13 -1.26 -2.22 120.64 122.29 1sgo n GLU 82 Ca -0.10 0.13 0.11 0.00 0.66 0.00 0.00 57.16 57.97 1sgo n GLU 82 Cb 0.65 -1.50 0.09 0.00 0.27 0.00 0.00 31.44 30.96 1sgo n GLU 82 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1sgo n ALA 83 N -1.50 3.42 0.00 4.31 0.00 -1.26 -5.07 120.51 120.42 1sgo n ALA 83 Ca 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1sgo n ALA 83 Cb 0.25 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1sgo n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sgo n GLY 84 N 1.40 0.86 3.37 0.00 0.00 -0.94 -4.78 105.19 105.10 1sgo n GLY 84 Ca 0.03 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 1sgo n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sgo s LEU 85 N 0.00 3.31 -0.02 0.99 1.02 0.08 -1.01 118.68 123.06 1sgo s LEU 85 Ca 0.00 -0.40 0.04 0.00 0.02 0.00 0.00 54.13 53.79 1sgo s LEU 85 Cb 0.00 -1.84 -0.03 0.00 0.02 0.00 0.00 46.19 44.34 1sgo s LEU 85 CO 0.00 -0.06 -0.12 -0.75 0.02 0.00 0.00 176.35 175.43 1sgo s LYS 86 N 1.53 2.45 -0.04 1.70 2.20 -0.85 -1.13 119.74 125.61 1sgo s LYS 86 Ca 0.05 -0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 54.62 1sgo s LYS 86 Cb -0.15 -2.39 -0.04 0.00 -1.51 0.00 0.00 37.83 33.74 1sgo s LYS 86 CO 0.00 0.61 1.22 0.08 -0.36 0.00 0.00 175.35 176.90 1sgo s VAL 87 N -0.85 4.18 -0.09 4.02 1.01 -1.19 -0.06 120.40 127.42 1sgo s VAL 87 Ca 0.14 1.52 0.14 0.00 0.00 0.00 0.00 61.98 63.77 1sgo s VAL 87 Cb -0.11 -3.98 -0.20 0.00 0.00 0.00 0.00 36.38 32.10 1sgo s VAL 87 CO 0.03 0.01 0.17 1.33 0.00 0.00 0.00 175.10 176.64 1sgo n VAL 88 N 4.54 0.57 -3.62 2.92 0.24 -0.30 -4.53 118.33 118.15 1sgo n VAL 88 Ca 0.11 -0.50 0.01 0.00 -2.04 0.00 0.00 64.34 61.92 1sgo n VAL 88 Cb 0.46 -0.30 -0.01 0.00 -1.47 0.00 0.00 33.84 32.53 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 -4.34 -0.41 -0.26 7.63 0.00 -1.09 -0.64 107.32 108.22 1sgo s GLY 89 Ca -0.06 0.71 0.13 0.00 0.00 0.00 0.00 44.72 45.49 1sgo s GLY 89 CO 0.61 0.13 1.72 -1.72 0.00 0.00 0.00 173.10 173.83 1sgo n TYR 90 N -0.48 2.02 -4.17 1.90 4.01 -1.26 -2.11 117.16 117.07 1sgo n TYR 90 Ca -0.08 -0.91 -0.11 0.00 -0.16 0.00 0.00 57.90 56.64 1sgo n TYR 90 Cb 0.63 -0.54 -0.10 0.00 -0.31 0.00 0.00 39.34 39.02 1sgo n TYR 90 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sgo s ALA 91 N -2.86 0.98 -0.05 -0.72 0.00 -1.22 -4.57 121.76 113.32 1sgo s ALA 91 Ca 0.53 -1.50 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 1sgo s ALA 91 Cb 0.41 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 24.29 1sgo s ALA 91 CO 0.14 -0.45 1.31 0.12 0.00 0.00 0.00 175.76 176.88 1sgo s PHE 92 N -3.96 2.96 -1.26 0.00 5.36 -1.26 -2.78 117.98 117.04 1sgo s PHE 92 Ca 0.24 0.99 -0.03 0.00 -0.96 0.00 0.00 56.93 57.16 1sgo s PHE 92 Cb 0.07 -3.55 0.00 0.00 -0.34 0.00 0.00 43.02 39.21 1sgo s PHE 92 CO 0.02 -1.92 0.42 -0.25 -1.46 0.00 0.00 175.22 172.03 1sgo n ASP 93 N 5.53 -5.15 -4.13 6.13 8.00 -1.26 -5.00 116.55 120.67 1sgo n ASP 93 Ca 0.12 -0.20 -0.30 0.00 0.71 0.00 0.00 54.79 55.12 1sgo n ASP 93 Cb 0.45 -4.03 -0.17 0.00 -0.02 0.00 0.00 41.12 37.35 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 -5.37 2.61 -0.01 -1.24 2.00 -1.12 -4.89 119.66 111.64 1sgo s GLN 94 Ca 0.21 -0.71 0.01 0.00 -2.00 0.00 0.00 55.36 52.87 1sgo s GLN 94 Cb -0.09 -2.10 0.00 0.00 0.80 0.00 0.00 33.01 31.62 1sgo s GLN 94 CO 0.26 0.03 -0.04 0.54 -0.50 0.00 0.00 175.29 175.57 1sgo s VAL 95 N 0.73 0.35 -0.14 1.34 0.11 -1.25 -2.67 120.40 118.87 1sgo s VAL 95 Ca -0.11 -0.15 -0.07 0.00 -2.93 0.00 0.00 61.98 58.72 1sgo s VAL 95 Cb -0.16 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 1sgo s VAL 95 CO 0.02 0.12 0.10 -0.62 -3.33 0.00 0.00 175.10 171.38 1sgo s ASP 96 N 0.12 6.02 0.33 3.54 2.15 0.19 -4.96 116.67 124.06 1sgo s ASP 96 Ca -0.01 0.31 0.07 0.00 0.43 0.00 0.00 52.55 53.35 1sgo s ASP 96 Cb -0.04 -1.94 0.59 0.00 -0.30 0.00 0.00 42.92 41.22 1sgo s ASP 96 CO -0.00 0.33 1.80 -2.24 -0.17 0.00 0.00 175.17 174.88 1sgo h ASP 97 N 5.57 0.26 -0.40 -0.34 3.04 -2.01 -2.84 116.42 119.70 1sgo h ASP 97 Ca -0.49 -0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.22 1sgo h ASP 97 Cb 1.20 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.42 1sgo h ASP 97 CO 0.62 0.54 0.00 0.00 -2.04 0.00 0.00 179.24 178.36 1sgo n HIS 98 N -4.14 1.22 -2.56 4.15 1.44 -1.26 -4.89 115.22 109.18 1sgo n HIS 98 Ca -0.01 -0.76 -0.42 0.00 -2.01 0.00 0.00 57.72 54.52 1sgo n HIS 98 Cb 0.38 -0.31 -0.02 0.00 0.12 0.00 0.00 29.99 30.15 1sgo n HIS 98 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1sgo s LEU 99 N -2.44 3.44 -0.26 2.39 1.43 -1.07 -4.87 118.68 117.30 1sgo s LEU 99 Ca 0.44 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 1sgo s LEU 99 Cb 0.33 -3.16 0.43 0.00 0.03 0.00 0.00 46.19 43.82 1sgo s LEU 99 CO 0.14 -1.51 1.52 0.00 0.23 0.00 0.00 176.35 176.74 1sgo n GLN 100 N 8.47 2.05 -1.67 1.70 10.64 -1.26 -4.95 117.38 132.35 1sgo n GLN 100 Ca 0.09 -1.89 -0.45 0.00 -1.83 0.00 0.00 57.00 52.92 1sgo n GLN 100 Cb 0.49 -1.77 -0.03 0.00 -0.86 0.00 0.00 30.24 28.07 1sgo n GLN 100 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1sgo n THR 101 N -0.38 0.95 -0.55 -0.39 -2.24 -1.26 -4.94 114.28 105.47 1sgo n THR 101 Ca 0.34 -0.24 -0.29 0.00 -2.27 0.00 0.00 64.05 61.59 1sgo n THR 101 Cb 1.17 -1.45 0.23 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.41 -0.47 0.06 -0.78 0.02 -1.26 -4.37 135.00 127.80 1sgo s PRO 102 Ca 0.68 1.07 0.03 0.00 0.02 0.00 0.00 61.00 62.80 1sgo s PRO 102 Cb -0.66 -1.59 -0.03 0.00 0.02 0.00 0.00 34.50 32.25 1sgo s PRO 102 CO 0.50 -3.49 -0.10 1.52 -0.33 0.00 0.00 177.00 175.10 1sgo s TYR 103 N -2.49 0.91 0.47 6.54 -0.85 -1.26 -3.18 117.35 117.49 1sgo s TYR 103 Ca 0.68 -0.53 0.04 0.00 -0.52 0.00 0.00 57.07 56.75 1sgo s TYR 103 Cb -0.25 -0.52 -0.03 0.00 0.38 0.00 0.00 41.96 41.54 1sgo s TYR 103 CO 0.63 -0.03 0.08 -1.01 -1.52 0.00 0.00 175.55 173.70 1sgo s HIS 104 N -1.59 2.16 0.00 -3.49 3.76 -0.28 -4.88 115.29 110.97 1sgo s HIS 104 Ca -0.04 -0.80 -0.15 0.00 -0.15 0.00 0.00 55.06 53.92 1sgo s HIS 104 Cb -0.08 -1.76 -0.08 0.00 1.11 0.00 0.00 32.58 31.77 1sgo s HIS 104 CO 0.01 0.21 0.89 0.93 -0.85 0.00 0.00 174.74 175.93 1sgo h GLU 105 N 1.42 -0.52 -5.24 1.40 3.07 -1.88 0.27 114.58 113.10 1sgo h GLU 105 Ca -0.43 0.04 -0.62 0.00 -0.50 0.00 0.00 59.36 57.84 1sgo h GLU 105 Cb 1.28 0.12 -0.13 0.00 -0.84 0.00 0.00 28.75 29.18 1sgo h GLU 105 CO 0.74 -0.35 -0.54 0.95 -1.40 0.00 0.00 179.01 178.41 1sgo s THR 106 N -3.62 1.16 0.29 1.13 -4.23 -1.26 -4.26 115.64 104.85 1sgo s THR 106 Ca -0.08 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.65 1sgo s THR 106 Cb 0.01 -2.39 0.20 0.00 1.34 0.00 0.00 72.50 71.65 1sgo s THR 106 CO 0.24 0.00 1.89 1.62 -0.54 0.00 0.00 174.62 177.82 1sgo h VAL 107 N 1.59 0.78 0.45 2.29 3.04 -1.98 -2.92 116.25 119.50 1sgo h VAL 107 Ca -0.42 -1.05 -0.02 0.00 -1.01 0.00 0.00 66.70 64.21 1sgo h VAL 107 Cb 1.29 1.64 0.00 0.00 -2.01 0.00 0.00 31.29 32.21 1sgo h VAL 107 CO 0.71 0.25 -0.22 1.88 -1.01 0.00 0.00 177.57 179.18 1sgo h TYR 108 N 0.00 -0.56 0.00 3.17 0.05 -1.98 0.14 116.97 117.78 1sgo h TYR 108 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1sgo h TYR 108 Cb 0.62 0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.55 1sgo h TYR 108 CO 0.00 -0.24 0.00 -1.13 -1.05 0.00 0.00 178.16 175.74 1sgo n SER 109 N -5.23 0.00 -0.10 3.88 3.41 -1.22 -1.43 113.62 112.94 1sgo n SER 109 Ca -0.10 0.14 -0.16 0.00 -0.26 0.00 0.00 58.87 58.48 1sgo n SER 109 Cb 0.30 -0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 63.85 1sgo n SER 109 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1sgo n LEU 110 N -1.33 1.90 0.27 1.04 7.94 -1.11 -4.24 117.00 121.48 1sgo n LEU 110 Ca 0.07 0.41 0.13 0.00 -1.11 0.00 0.00 56.01 55.52 1sgo n LEU 110 Cb 0.15 -0.83 0.78 0.00 0.53 0.00 0.00 43.42 44.05 1sgo n LEU 110 CO 0.14 0.02 1.02 0.25 -1.11 0.00 0.00 177.39 177.72 1sgo h LEU 111 N -1.00 0.00 -1.58 -1.96 5.85 -0.65 -0.09 115.31 115.88 1sgo h LEU 111 Ca -0.26 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 1sgo h LEU 111 Cb 1.13 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1sgo h LEU 111 CO -0.16 0.08 -0.10 -0.78 -0.34 0.00 0.00 178.44 177.14 1sgo h ASP 112 N 0.00 0.14 0.10 1.25 3.58 -1.44 -0.51 116.42 119.53 1sgo h ASP 112 Ca -0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1sgo h ASP 112 Cb 0.21 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1sgo h ASP 112 CO 0.01 0.26 -0.14 0.35 -2.88 0.00 0.00 179.24 176.83 1sgo n THR 113 N -4.34 0.00 0.02 2.25 -2.24 -0.06 -4.53 114.28 105.38 1sgo n THR 113 Ca -0.01 -0.21 -0.02 0.00 -2.27 0.00 0.00 64.05 61.53 1sgo n THR 113 Cb 0.22 0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.13 1.27 -4.58 3.22 4.77 -0.80 -5.02 117.00 115.72 1sgo n LEU 114 Ca 0.15 0.18 -0.39 0.00 -0.03 0.00 0.00 56.01 55.92 1sgo n LEU 114 Cb 0.38 -0.42 -0.11 0.00 -2.33 0.00 0.00 43.42 40.94 1sgo n LEU 114 CO 0.21 -0.65 -0.13 -0.44 -1.33 0.00 0.00 177.39 175.06 1sgo s SER 115 N -5.95 6.06 0.47 -1.43 0.01 -0.27 -4.94 113.70 107.65 1sgo s SER 115 Ca -0.06 -0.06 0.12 0.00 1.31 0.00 0.00 55.95 57.27 1sgo s SER 115 Cb 0.01 -2.14 1.07 0.00 0.21 0.00 0.00 66.02 65.18 1sgo s SER 115 CO 0.09 -0.11 2.09 -0.65 0.41 0.00 0.00 173.24 175.08 1sgo h PRO 116 N 8.37 0.21 -0.11 12.44 0.11 -1.90 -2.22 132.00 148.91 1sgo h PRO 116 Ca -0.34 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 1sgo h PRO 116 Cb 1.18 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1sgo h PRO 116 CO 0.58 0.16 -0.19 0.00 -0.21 0.00 0.00 178.00 178.34 1sgo h ALA 117 N 1.87 1.48 -0.77 -0.75 0.00 -1.92 -2.24 119.26 116.93 1sgo h ALA 117 Ca 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1sgo h ALA 117 Cb 0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1sgo h ALA 117 CO -0.01 0.37 0.45 -0.92 0.00 0.00 0.00 179.25 179.14 1sgo h TYR 118 N 0.17 1.03 -0.33 0.00 3.20 -1.53 0.67 116.97 120.18 1sgo h TYR 118 Ca 0.03 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1sgo h TYR 118 Cb 0.45 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1sgo h TYR 118 CO 0.01 0.69 0.20 0.00 -1.64 0.00 0.00 178.16 177.42 1sgo h ARG 119 N 1.07 0.39 -0.27 1.82 2.47 -1.44 0.34 114.38 118.76 1sgo h ARG 119 Ca 0.28 -0.02 -0.12 0.00 -1.26 0.00 0.00 59.98 58.86 1sgo h ARG 119 Cb -0.02 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.21 1sgo h ARG 119 CO -0.05 0.26 -0.29 0.93 0.56 0.00 0.00 179.97 181.38 1sgo h GLU 120 N 0.40 0.68 -0.59 0.04 4.39 -1.44 -2.06 114.58 116.01 1sgo h GLU 120 Ca 0.13 -0.36 -0.07 0.00 0.34 0.00 0.00 59.36 59.40 1sgo h GLU 120 Cb -0.01 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1sgo h GLU 120 CO -0.05 0.98 0.11 0.00 -1.16 0.00 0.00 179.01 178.88 1sgo h ALA 121 N 0.69 1.08 -0.42 3.43 0.00 -0.63 -1.55 119.26 121.85 1sgo h ALA 121 Ca 0.04 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1sgo h ALA 121 Cb 0.86 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1sgo h ALA 121 CO 0.07 0.60 -0.10 0.35 0.00 0.00 0.00 179.25 180.17 1sgo h PHE 122 N 0.89 0.91 -0.67 0.00 3.57 -0.28 -2.87 116.94 118.50 1sgo h PHE 122 Ca 0.18 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1sgo h PHE 122 Cb 0.38 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 1sgo h PHE 122 CO 0.02 0.93 0.40 0.78 -2.23 0.00 0.00 178.31 178.21 1sgo h GLY 123 N 0.63 0.97 0.58 2.40 0.00 -1.06 -2.01 103.07 104.58 1sgo h GLY 123 Ca 0.11 -0.40 0.09 0.00 0.00 0.00 0.00 47.33 47.13 1sgo h GLY 123 CO 0.04 0.39 0.52 -0.57 0.00 0.00 0.00 176.54 176.91 1sgo h ASN 124 N 0.92 0.77 -0.35 0.19 -1.24 -1.07 -0.05 115.58 114.75 1sgo h ASN 124 Ca 0.24 0.04 -0.08 0.00 0.71 0.00 0.00 56.30 57.21 1sgo h ASN 124 Cb -0.03 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 38.88 1sgo h ASN 124 CO -0.05 0.45 -0.04 0.00 -1.29 0.00 0.00 177.43 176.50 1sgo h ALA 125 N 1.45 1.09 -0.12 1.57 0.00 -1.24 -1.66 119.26 120.36 1sgo h ALA 125 Ca 0.41 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1sgo h ALA 125 Cb 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1sgo h ALA 125 CO -0.23 0.57 -0.21 -0.07 0.00 0.00 0.00 179.25 179.31 1sgo h LEU 126 N 0.70 0.39 -1.20 0.00 4.07 -1.04 -2.80 115.31 115.42 1sgo h LEU 126 Ca 0.13 -0.55 -0.07 0.00 0.08 0.00 0.00 57.88 57.47 1sgo h LEU 126 Cb 0.49 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 1sgo h LEU 126 CO 0.02 0.87 -0.33 0.17 -1.08 0.00 0.00 178.44 178.09 1sgo h LEU 127 N -0.07 0.00 -0.56 1.67 8.10 -0.97 -2.13 115.31 121.35 1sgo h LEU 127 Ca 0.01 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.90 1sgo h LEU 127 Cb 0.79 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.00 1sgo h LEU 127 CO 0.05 0.33 -0.45 -0.61 -4.11 0.00 0.00 178.44 173.65 1sgo h GLN 128 N 0.00 0.00 0.00 0.17 -0.00 -1.31 -2.79 115.11 111.18 1sgo h GLN 128 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.62 1sgo h GLN 128 Cb 0.73 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.21 1sgo h GLN 128 CO 0.04 0.45 -0.11 0.00 0.00 0.00 0.00 178.83 179.21 1sgo h ARG 129 N 0.00 0.00 0.15 1.69 3.08 -1.10 -0.80 114.38 117.40 1sgo h ARG 129 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1sgo h ARG 129 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1sgo h ARG 129 CO 0.06 0.11 -0.07 1.25 -1.07 0.00 0.00 179.97 180.25 1sgo h LEU 130 N 0.00 -0.17 -0.87 3.04 5.85 -1.49 -2.68 115.31 118.99 1sgo h LEU 130 Ca -0.00 -0.16 -0.12 0.00 0.84 0.00 0.00 57.88 58.44 1sgo h LEU 130 Cb 0.40 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1sgo h LEU 130 CO 0.01 0.06 -0.55 1.05 -0.34 0.00 0.00 178.44 178.67 1sgo h GLU 131 N -0.40 0.04 -0.67 1.25 4.11 -1.60 -2.93 114.58 114.37 1sgo h GLU 131 Ca -0.02 -0.02 0.08 0.00 0.07 0.00 0.00 59.36 59.47 1sgo h GLU 131 Cb 0.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1sgo h GLU 131 CO 0.03 0.58 0.44 0.00 0.07 0.00 0.00 179.01 180.14 1sgo h ALA 132 N 1.42 1.85 -0.46 1.06 0.00 -1.02 0.15 119.26 122.27 1sgo h ALA 132 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1sgo h ALA 132 Cb 0.98 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1sgo h ALA 132 CO 0.07 0.02 0.16 -0.07 0.00 0.00 0.00 179.25 179.43 1sgo h LEU 133 N 0.59 0.65 0.00 0.00 3.38 -1.28 -2.59 115.31 116.06 1sgo h LEU 133 Ca 0.30 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1sgo h LEU 133 Cb 0.41 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1sgo h LEU 133 CO -0.10 0.67 -0.07 0.11 0.09 0.00 0.00 178.44 179.14 1sgo h LYS 134 N 0.60 0.00 0.00 1.13 1.57 -1.28 0.34 116.57 118.93 1sgo h LYS 134 Ca 0.15 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1sgo h LYS 134 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1sgo h LYS 134 CO -0.01 0.00 -0.06 0.00 -0.57 0.00 0.00 179.45 178.81 1sgo h ARG 135 N 0.00 0.00 0.00 3.15 3.08 -0.61 -3.27 114.38 116.73 1sgo h ARG 135 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1sgo h ARG 135 Cb 0.96 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 1sgo h ARG 135 CO 0.00 0.06 -0.78 0.22 -1.07 0.00 0.00 179.97 178.40 1sgo h ASP 136 N 0.00 0.00 0.00 7.04 3.58 -1.21 -3.51 116.42 122.32 1sgo h ASP 136 Ca -0.00 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 57.05 1sgo h ASP 136 Cb 0.92 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1sgo h ASP 136 CO 0.01 1.15 0.00 0.61 -2.88 0.00 0.00 179.24 178.13 1sgo n GLY 137 N 1.53 -1.18 0.00 -0.78 0.00 0.09 -5.12 105.19 99.74 1sgo n GLY 137 Ca -0.20 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1sgo n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgo n GLN 138 N 0.00 0.00 0.00 1.61 10.64 -1.25 -4.12 117.38 124.26 1sgo n GLN 138 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1sgo n GLN 138 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1sgo n GLN 138 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66