#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxm h ARG 10 N 0.00 -0.19 0.00 0.00 2.43 -2.06 -3.37 114.38 111.20 3dxm h ARG 10 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3dxm h ARG 10 Cb 0.00 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3dxm h ARG 10 CO 0.00 -0.13 0.36 1.97 -1.51 0.00 0.00 179.97 180.67 3dxm n PHE 11 N -3.95 0.00 1.22 2.20 1.16 -1.26 0.25 117.46 117.08 3dxm n PHE 11 Ca -0.02 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.68 3dxm n PHE 11 Cb 0.08 0.00 0.38 0.00 -1.61 0.00 0.00 39.48 38.33 3dxm n PHE 11 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3dxm n ARG 12 N -1.20 0.71 0.04 3.97 1.74 -1.26 -3.80 116.66 116.86 3dxm n ARG 12 Ca 0.00 -0.41 -0.07 0.00 -0.77 0.00 0.00 57.85 56.60 3dxm n ARG 12 Cb 0.36 -1.49 0.11 0.00 -1.02 0.00 0.00 32.46 30.42 3dxm n ARG 12 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3dxm h LYS 13 N 1.00 0.41 -6.47 5.56 1.57 0.30 -3.44 116.57 115.50 3dxm h LYS 13 Ca 0.00 -0.25 -0.53 0.00 -1.87 0.00 0.00 60.65 58.00 3dxm h LYS 13 Cb 0.49 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3dxm h LYS 13 CO 0.00 0.84 0.33 0.54 -0.57 0.00 0.00 179.45 180.59 3dxm s VAL 14 N -3.97 4.65 -1.03 0.50 0.11 -1.25 -4.99 120.40 114.42 3dxm s VAL 14 Ca -0.06 2.00 -0.16 0.00 -2.93 0.00 0.00 61.98 60.84 3dxm s VAL 14 Cb 0.12 -4.29 0.17 0.00 -1.53 0.00 0.00 36.38 30.85 3dxm s VAL 14 CO 0.82 0.27 1.18 -0.62 -3.33 0.00 0.00 175.10 173.42 3dxm s ASP 15 N 0.32 6.86 0.67 3.54 2.15 -1.26 -4.85 116.67 124.09 3dxm s ASP 15 Ca 0.47 -2.59 0.38 0.00 0.43 0.00 0.00 52.55 51.25 3dxm s ASP 15 Cb -0.22 -2.36 2.09 0.00 -0.30 0.00 0.00 42.92 42.13 3dxm s ASP 15 CO 0.28 -0.82 2.18 -0.37 -0.17 0.00 0.00 175.17 176.26 3dxm h VAL 16 N 5.11 0.00 0.00 1.11 -1.51 -1.94 -2.05 116.25 116.97 3dxm h VAL 16 Ca 0.21 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.64 3dxm h VAL 16 Cb 0.96 0.85 -0.01 0.00 -2.13 0.00 0.00 31.29 30.97 3dxm h VAL 16 CO 1.10 0.00 -0.19 1.23 -1.23 0.00 0.00 177.57 178.48 3dxm h GLY 17 N 0.00 0.00 2.00 5.19 0.00 -1.99 -2.21 103.07 106.06 3dxm h GLY 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dxm h GLY 17 CO -0.00 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.33 3dxm n GLU 18 N -4.04 0.02 -0.05 4.80 0.00 -0.77 -1.86 120.64 118.74 3dxm n GLU 18 Ca -0.02 0.37 0.04 0.00 0.00 0.00 0.00 57.16 57.54 3dxm n GLU 18 Cb 0.27 -1.55 0.06 0.00 0.00 0.00 0.00 31.44 30.22 3dxm n GLU 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3dxm n TYR 19 N -1.59 0.07 -2.13 4.31 4.02 -0.83 -5.01 117.16 115.99 3dxm n TYR 19 Ca 0.02 -0.66 -0.43 0.00 -0.01 0.00 0.00 57.90 56.82 3dxm n TYR 19 Cb 0.11 -0.09 -0.03 0.00 -0.02 0.00 0.00 39.34 39.32 3dxm n TYR 19 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3dxm s ASP 20 N -1.60 6.58 -0.91 7.72 -1.08 -0.78 -4.92 116.67 121.69 3dxm s ASP 20 Ca 0.13 1.84 -0.20 0.00 -0.52 0.00 0.00 52.55 53.80 3dxm s ASP 20 Cb 0.11 -2.53 0.11 0.00 -1.46 0.00 0.00 42.92 39.14 3dxm s ASP 20 CO 0.02 -1.06 1.17 -0.70 0.52 0.00 0.00 175.17 175.13 3dxm s GLU 21 N 4.25 3.52 0.00 4.34 -6.30 -1.26 -3.31 118.70 119.95 3dxm s GLU 21 Ca 0.69 -1.49 0.00 0.00 -2.50 0.00 0.00 54.97 51.68 3dxm s GLU 21 Cb -0.27 -4.90 0.00 0.00 0.00 0.00 0.00 34.13 28.96 3dxm s GLU 21 CO 0.27 -1.87 0.00 0.09 0.02 0.00 0.00 175.26 173.77 3dxm n ASN 22 N 7.21 0.00 0.00 -1.70 3.02 -1.26 -5.15 115.26 117.39 3dxm n ASN 22 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 3dxm n ASN 22 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 3dxm n ASN 22 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3dxm n LYS 23 N 0.00 3.88 -3.78 3.52 4.81 -1.21 -5.15 118.16 120.23 3dxm n LYS 23 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 3dxm n LYS 23 Cb 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 34.90 3dxm n LYS 23 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 3dxm s PHE 24 N 2.34 -0.08 -0.08 5.64 5.36 -1.26 -5.14 117.98 124.75 3dxm s PHE 24 Ca 0.00 0.30 0.03 0.00 -0.96 0.00 0.00 56.93 56.30 3dxm s PHE 24 Cb 0.00 -0.11 0.01 0.00 -0.34 0.00 0.00 43.02 42.57 3dxm s PHE 24 CO 0.00 -0.11 -0.16 0.08 -1.46 0.00 0.00 175.22 173.56 3dxm s VAL 25 N 0.91 1.49 0.57 3.12 1.01 -1.26 -5.13 120.40 121.10 3dxm s VAL 25 Ca -0.07 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 3dxm s VAL 25 Cb -0.10 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 3dxm s VAL 25 CO -0.04 0.43 1.09 -1.81 0.00 0.00 0.00 175.10 174.77 3dxm s ASP 26 N 0.64 5.76 -0.48 3.32 1.01 -1.26 -4.97 116.67 120.68 3dxm s ASP 26 Ca -0.14 2.00 -0.26 0.00 0.71 0.00 0.00 52.55 54.85 3dxm s ASP 26 Cb -0.16 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.24 3dxm s ASP 26 CO 0.04 -1.19 0.99 -1.61 0.21 0.00 0.00 175.17 173.61 3dxm s GLU 27 N -3.63 3.55 0.30 8.23 8.01 -1.26 -5.02 118.70 128.88 3dxm s GLU 27 Ca 0.68 0.21 0.10 0.00 0.01 0.00 0.00 54.97 55.97 3dxm s GLU 27 Cb -0.20 -3.94 -0.05 0.00 -4.31 0.00 0.00 34.13 25.63 3dxm s GLU 27 CO 0.31 -1.31 -0.09 -1.21 0.01 0.00 0.00 175.26 172.96 3dxm s GLU 28 N 4.00 1.95 0.34 1.61 2.02 -1.26 -5.08 118.70 122.28 3dxm s GLU 28 Ca 0.39 -1.69 -0.17 0.00 0.02 0.00 0.00 54.97 53.52 3dxm s GLU 28 Cb -0.09 -1.90 0.06 0.00 0.10 0.00 0.00 34.13 32.29 3dxm s GLU 28 CO 0.27 0.27 0.84 0.34 0.02 0.00 0.00 175.26 177.01 3dxm s ASP 29 N -3.61 0.00 -0.06 -0.19 2.15 -1.26 -5.23 116.67 108.47 3dxm s ASP 29 Ca 0.32 -1.04 0.02 0.00 0.43 0.00 0.00 52.55 52.27 3dxm s ASP 29 Cb -0.03 0.78 0.02 0.00 -0.30 0.00 0.00 42.92 43.38 3dxm s ASP 29 CO 0.17 -1.54 -0.09 -0.83 -0.17 0.00 0.00 175.17 172.71 3dxm s GLY 30 N -3.14 0.68 0.27 2.66 0.00 -1.26 -4.66 107.32 101.87 3dxm s GLY 30 Ca 0.17 -0.30 0.02 0.00 0.00 0.00 0.00 44.72 44.60 3dxm s GLY 30 CO 0.10 0.31 0.32 0.61 0.00 0.00 0.00 173.10 174.43 3dxm n GLY 36 N 4.02 2.69 3.85 0.20 0.00 -1.21 -5.06 105.19 109.68 3dxm n GLY 36 Ca -0.22 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 43.81 3dxm n GLY 36 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3dxm s PRO 37 N -2.83 1.87 -0.48 1.61 0.02 -1.24 -4.76 135.00 129.19 3dxm s PRO 37 Ca 0.27 0.31 -0.28 0.00 0.02 0.00 0.00 61.00 61.33 3dxm s PRO 37 Cb 0.00 -1.92 0.03 0.00 0.02 0.00 0.00 34.50 32.63 3dxm s PRO 37 CO 0.19 -1.70 1.06 0.34 -0.33 0.00 0.00 177.00 176.56 3dxm s ASP 38 N -4.25 6.58 0.10 2.53 -1.08 -1.26 -4.92 116.67 114.36 3dxm s ASP 38 Ca 0.62 0.32 -0.25 0.00 -0.52 0.00 0.00 52.55 52.72 3dxm s ASP 38 Cb -0.13 -2.51 -0.11 0.00 -1.46 0.00 0.00 42.92 38.71 3dxm s ASP 38 CO 0.52 -1.19 1.69 -0.08 0.52 0.00 0.00 175.17 176.63 3dxm h GLU 39 N 9.19 -0.25 -0.72 4.34 4.22 -1.97 -2.21 114.58 127.18 3dxm h GLU 39 Ca -0.23 0.02 0.06 0.00 0.08 0.00 0.00 59.36 59.28 3dxm h GLU 39 Cb 1.07 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 3dxm h GLU 39 CO 1.09 -0.17 0.47 0.78 -2.18 0.00 0.00 179.01 179.01 3dxm h GLY 40 N -0.26 0.95 0.82 1.92 0.00 -1.99 -1.75 103.07 102.76 3dxm h GLY 40 Ca 0.01 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 3dxm h GLY 40 CO -0.05 0.23 -0.02 -2.09 0.00 0.00 0.00 176.54 174.61 3dxm h GLU 41 N 0.76 0.37 -0.63 4.80 4.81 -1.90 -1.57 114.58 121.23 3dxm h GLU 41 Ca 0.31 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3dxm h GLU 41 Cb 0.24 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3dxm h GLU 41 CO -0.10 0.59 0.42 0.28 -0.73 0.00 0.00 179.01 179.46 3dxm h VAL 42 N 0.12 1.16 -0.76 0.32 2.07 -0.96 -2.14 116.25 116.06 3dxm h VAL 42 Ca 0.06 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.29 3dxm h VAL 42 Cb 0.43 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 3dxm h VAL 42 CO 0.01 0.15 0.51 0.44 0.02 0.00 0.00 177.57 178.70 3dxm h ASP 43 N 0.85 0.88 0.00 0.57 3.45 -1.24 -1.32 116.42 119.61 3dxm h ASP 43 Ca 0.23 -0.02 0.03 0.00 0.43 0.00 0.00 57.03 57.70 3dxm h ASP 43 Cb -0.10 -0.22 -0.05 0.00 -0.56 0.00 0.00 39.33 38.41 3dxm h ASP 43 CO -0.05 0.64 -0.26 -1.28 -1.57 0.00 0.00 179.24 176.71 3dxm h SER 44 N 1.04 -0.78 -0.57 6.45 0.87 -0.65 0.13 113.55 120.03 3dxm h SER 44 Ca 0.28 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.94 3dxm h SER 44 Cb -0.12 0.32 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 3dxm h SER 44 CO -0.06 -0.33 0.35 0.00 -0.53 0.00 0.00 176.83 176.25 3dxm h LEU 46 N 0.77 0.04 -2.02 0.00 3.38 -0.86 0.11 115.31 116.74 3dxm h LEU 46 Ca 0.21 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.13 3dxm h LEU 46 Cb -0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3dxm h LEU 46 CO -0.04 0.13 0.13 0.03 0.09 0.00 0.00 178.44 178.78 3dxm h ARG 47 N -0.05 0.00 -0.09 1.13 3.08 -0.65 -0.04 114.38 117.76 3dxm h ARG 47 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3dxm h ARG 47 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3dxm h ARG 47 CO -0.00 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.94 3dxm n GLN 48 N -4.45 1.65 -0.97 0.04 6.02 -0.96 -4.92 117.38 113.79 3dxm n GLN 48 Ca 0.01 -0.96 0.00 0.00 -0.01 0.00 0.00 57.00 56.05 3dxm n GLN 48 Cb 0.27 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.10 3dxm n GLN 48 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dxm n GLY 49 N 1.13 0.50 3.48 1.08 0.00 -0.03 -4.94 105.19 106.41 3dxm n GLY 49 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 3dxm n GLY 49 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dxm s ASN 50 N -2.20 6.91 0.01 1.61 0.01 0.34 -4.85 114.94 116.78 3dxm s ASN 50 Ca 0.00 -2.62 -0.25 0.00 -0.71 0.00 0.00 52.86 49.28 3dxm s ASN 50 Cb 0.00 -2.43 -0.18 0.00 0.41 0.00 0.00 41.25 39.05 3dxm s ASN 50 CO 0.00 -0.92 1.35 0.24 -1.51 0.00 0.00 177.10 176.26 3dxm h MET 51 N 7.75 -0.19 -0.70 -0.60 2.86 -1.91 -2.03 114.93 120.10 3dxm h MET 51 Ca 0.29 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 58.03 3dxm h MET 51 Cb 0.92 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.55 3dxm h MET 51 CO 1.25 0.13 0.36 1.15 1.06 0.00 0.00 176.91 180.86 3dxm h THR 52 N -0.51 0.87 -0.79 2.22 2.02 -1.95 -0.03 112.91 114.73 3dxm h THR 52 Ca -0.02 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 66.96 3dxm h THR 52 Cb 0.40 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 3dxm h THR 52 CO 0.03 0.11 0.52 0.00 0.37 0.00 0.00 175.52 176.56 3dxm h ALA 53 N 1.41 1.01 -0.73 6.16 0.00 -1.95 -2.04 119.26 123.11 3dxm h ALA 53 Ca 0.34 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3dxm h ALA 53 Cb 0.33 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3dxm h ALA 53 CO -0.25 0.40 0.28 0.00 0.00 0.00 0.00 179.25 179.68 3dxm h ALA 54 N 1.30 1.11 -0.18 0.00 0.00 -0.39 -2.20 119.26 118.90 3dxm h ALA 54 Ca 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3dxm h ALA 54 Cb -0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3dxm h ALA 54 CO -0.07 0.63 0.09 1.25 0.00 0.00 0.00 179.25 181.15 3dxm h LEU 55 N 1.07 0.23 -1.55 0.00 5.85 -0.40 -0.80 115.31 119.70 3dxm h LEU 55 Ca 0.25 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 3dxm h LEU 55 Cb 0.22 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3dxm h LEU 55 CO -0.02 0.28 -0.24 1.56 -0.34 0.00 0.00 178.44 179.68 3dxm h GLN 56 N 0.16 0.00 0.13 1.25 4.20 -1.24 -2.18 115.11 117.44 3dxm h GLN 56 Ca 0.06 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.49 3dxm h GLN 56 Cb 0.11 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.90 3dxm h GLN 56 CO -0.01 0.24 -1.24 0.00 -0.67 0.00 0.00 178.83 177.15 3dxm h ALA 57 N 1.76 0.06 0.00 3.87 0.00 -1.14 -3.21 119.26 120.61 3dxm h ALA 57 Ca -0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 54.91 54.05 3dxm h ALA 57 Cb 0.45 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3dxm h ALA 57 CO 0.03 0.82 -0.15 0.00 0.00 0.00 0.00 179.25 179.94 3dxm h ALA 58 N 0.45 1.12 -0.21 0.00 0.00 -0.81 -2.45 119.26 117.36 3dxm h ALA 58 Ca -0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3dxm h ALA 58 Cb 1.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3dxm h ALA 58 CO 0.22 0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.94 3dxm n LEU 59 N -3.45 1.65 -4.85 0.00 4.77 -0.85 -4.75 117.00 109.51 3dxm n LEU 59 Ca -0.01 -0.73 -0.33 0.00 -0.03 0.00 0.00 56.01 54.92 3dxm n LEU 59 Cb 0.33 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 3dxm n LEU 59 CO 0.31 0.36 0.38 -0.75 -1.33 0.00 0.00 177.39 176.36 3dxm s LYS 60 N -1.73 3.99 -0.94 3.23 2.20 -0.92 -4.51 119.74 121.05 3dxm s LYS 60 Ca 0.29 0.61 -0.26 0.00 -0.36 0.00 0.00 55.97 56.26 3dxm s LYS 60 Cb 0.16 -2.51 0.04 0.00 -1.51 0.00 0.00 37.83 34.00 3dxm s LYS 60 CO 0.23 0.21 0.49 0.09 -0.36 0.00 0.00 175.35 176.01 3dxm n ASN 61 N -0.22 -2.89 -4.77 1.43 3.02 -1.26 -3.64 115.26 106.93 3dxm n ASN 61 Ca 0.02 -1.00 -0.40 0.00 -0.03 0.00 0.00 54.58 53.17 3dxm n ASN 61 Cb 0.53 -1.20 -0.00 0.00 -0.61 0.00 0.00 39.78 38.49 3dxm n ASN 61 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3dxm s PRO 62 N -6.89 4.03 -0.97 3.52 0.04 -1.26 -3.31 135.00 130.16 3dxm s PRO 62 Ca 0.36 2.25 -0.15 0.00 0.04 0.00 0.00 61.00 63.50 3dxm s PRO 62 Cb -0.20 -2.83 -0.09 0.00 0.04 0.00 0.00 34.50 31.41 3dxm s PRO 62 CO 0.75 -0.47 2.10 -2.30 0.04 0.00 0.00 177.00 177.11 3dxm n PRO 63 N 0.26 2.02 0.03 0.56 -0.02 -1.26 -4.59 135.00 132.02 3dxm n PRO 63 Ca 0.03 -1.85 0.14 0.00 -2.02 0.00 0.00 63.50 59.80 3dxm n PRO 63 Cb 0.42 -2.81 0.54 0.00 -0.02 0.00 0.00 33.50 31.64 3dxm n PRO 63 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3dxm n ILE 64 N 5.14 0.22 0.22 4.25 3.06 -1.26 -3.98 119.36 127.00 3dxm n ILE 64 Ca 0.50 -0.09 0.02 0.00 -2.50 0.00 0.00 62.75 60.69 3dxm n ILE 64 Cb 0.30 -0.54 -0.02 0.00 0.54 0.00 0.00 39.64 39.92 3dxm n ILE 64 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 3dxm n ASN 65 N -1.75 0.28 -4.79 9.51 3.02 -1.26 -4.36 115.26 115.90 3dxm n ASN 65 Ca 0.06 -0.64 -0.33 0.00 -0.03 0.00 0.00 54.58 53.64 3dxm n ASN 65 Cb 0.37 0.95 -0.00 0.00 -0.61 0.00 0.00 39.78 40.49 3dxm n ASN 65 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3dxm s THR 66 N -1.39 3.67 -0.09 3.41 -4.23 -1.26 -4.54 115.64 111.22 3dxm s THR 66 Ca 0.02 0.89 -0.06 0.00 -1.18 0.00 0.00 61.69 61.36 3dxm s THR 66 Cb 0.04 -3.36 -0.27 0.00 1.34 0.00 0.00 72.50 70.24 3dxm s THR 66 CO 0.18 -0.37 0.49 0.11 -0.54 0.00 0.00 174.62 174.49 3dxm h LYS 67 N 0.81 0.27 -6.65 3.99 1.79 -1.94 -3.47 116.57 111.37 3dxm h LYS 67 Ca -0.48 -0.46 -0.52 0.00 -2.18 0.00 0.00 60.65 57.00 3dxm h LYS 67 Cb 1.23 0.17 0.02 0.00 -1.58 0.00 0.00 32.23 32.07 3dxm h LYS 67 CO 0.57 1.17 0.61 -1.54 -1.08 0.00 0.00 179.45 179.18 3dxm s SER 68 N -7.01 6.99 0.19 0.86 1.04 -1.26 -4.91 113.70 109.59 3dxm s SER 68 Ca -0.19 2.29 0.24 0.00 0.48 0.00 0.00 55.95 58.78 3dxm s SER 68 Cb 0.06 -2.61 0.91 0.00 0.10 0.00 0.00 66.02 64.49 3dxm s SER 68 CO 0.80 -0.46 1.72 0.00 0.98 0.00 0.00 173.24 176.28 3dxm n GLN 69 N 2.71 0.17 -0.05 4.02 1.13 -1.26 -3.32 117.38 120.79 3dxm n GLN 69 Ca 0.06 0.30 -0.12 0.00 -1.94 0.00 0.00 57.00 55.30 3dxm n GLN 69 Cb 0.44 -1.77 -0.06 0.00 0.11 0.00 0.00 30.24 28.96 3dxm n GLN 69 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3dxm h ALA 70 N 2.44 0.20 -0.39 -1.58 0.00 -1.97 0.36 119.26 118.33 3dxm h ALA 70 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 3dxm h ALA 70 Cb 0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3dxm h ALA 70 CO 0.00 -0.10 -0.29 -0.24 0.00 0.00 0.00 179.25 178.62 3dxm h VAL 71 N 0.01 1.27 -0.23 0.00 3.04 -1.97 -1.47 116.25 116.91 3dxm h VAL 71 Ca 0.04 -1.44 -0.06 0.00 -1.01 0.00 0.00 66.70 64.23 3dxm h VAL 71 Cb 0.36 1.28 -0.01 0.00 -2.01 0.00 0.00 31.29 30.91 3dxm h VAL 71 CO 0.01 0.48 -0.11 0.11 -1.01 0.00 0.00 177.57 177.05 3dxm h LYS 72 N 0.72 0.47 0.00 4.17 1.57 -1.57 -2.41 116.57 119.53 3dxm h LYS 72 Ca 0.08 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3dxm h LYS 72 Cb 0.84 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 3dxm h LYS 72 CO 0.07 0.75 -0.01 -0.44 -0.57 0.00 0.00 179.45 179.25 3dxm h ASP 73 N 0.19 0.00 0.02 0.86 5.19 -0.19 -1.75 116.42 120.73 3dxm h ASP 73 Ca 0.05 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3dxm h ASP 73 Cb 0.61 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.12 3dxm h ASP 73 CO 0.03 0.01 -0.01 -0.09 -3.12 0.00 0.00 179.24 176.07 3dxm h ARG 74 N 0.00 -0.03 -0.69 3.56 2.43 -0.82 -2.87 114.38 115.96 3dxm h ARG 74 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3dxm h ARG 74 Cb 0.16 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3dxm h ARG 74 CO 0.00 0.70 0.42 0.00 -1.51 0.00 0.00 179.97 179.58 3dxm h ALA 75 N 0.06 1.44 -0.81 2.80 0.00 -1.11 -1.59 119.26 120.06 3dxm h ALA 75 Ca -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3dxm h ALA 75 Cb 0.74 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3dxm h ALA 75 CO 0.00 0.49 0.39 0.78 0.00 0.00 0.00 179.25 180.92 3dxm h GLY 76 N 0.97 1.24 0.86 0.00 0.00 -1.40 -0.86 103.07 103.89 3dxm h GLY 76 Ca 0.25 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3dxm h GLY 76 CO -0.05 0.58 0.05 1.76 0.00 0.00 0.00 176.54 178.88 3dxm h SER 77 N 1.15 0.20 -0.22 0.19 0.02 -1.08 0.25 113.55 114.06 3dxm h SER 77 Ca 0.28 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3dxm h SER 77 Cb 0.10 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3dxm h SER 77 CO -0.04 0.32 0.06 0.40 -1.14 0.00 0.00 176.83 176.44 3dxm h ILE 78 N 0.06 0.93 -0.35 3.27 2.04 -1.09 0.62 117.51 122.99 3dxm h ILE 78 Ca 0.05 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 3dxm h ILE 78 Cb 0.19 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3dxm h ILE 78 CO -0.00 0.03 0.14 0.58 0.00 0.00 0.00 178.15 178.90 3dxm h VAL 79 N 0.16 1.19 -0.71 1.67 2.07 -1.05 -2.47 116.25 117.10 3dxm h VAL 79 Ca 0.10 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3dxm h VAL 79 Cb 0.07 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3dxm h VAL 79 CO -0.11 0.20 0.30 0.25 0.02 0.00 0.00 177.57 178.23 3dxm h LEU 80 N 0.41 0.94 -0.83 2.57 5.85 -0.11 -2.00 115.31 122.15 3dxm h LEU 80 Ca 0.12 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.79 3dxm h LEU 80 Cb 0.18 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.91 3dxm h LEU 80 CO -0.01 0.82 0.49 0.50 -0.34 0.00 0.00 178.44 179.91 3dxm h LYS 81 N 1.02 0.85 -0.20 1.25 3.64 0.59 -1.86 116.57 121.85 3dxm h LYS 81 Ca 0.24 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 3dxm h LYS 81 Cb 0.16 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3dxm h LYS 81 CO -0.02 0.56 -0.09 0.28 -2.27 0.00 0.00 179.45 177.91 3dxm h VAL 82 N 0.87 1.30 -0.57 2.00 2.07 -0.96 -2.67 116.25 118.30 3dxm h VAL 82 Ca 0.38 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3dxm h VAL 82 Cb 0.25 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 3dxm h VAL 82 CO -0.20 0.34 0.33 -0.07 0.02 0.00 0.00 177.57 177.99 3dxm h LEU 83 N 0.10 0.68 -0.47 2.57 3.38 -1.02 -2.44 115.31 118.12 3dxm h LEU 83 Ca 0.05 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3dxm h LEU 83 Cb 0.57 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3dxm h LEU 83 CO 0.03 0.54 -0.62 0.40 0.09 0.00 0.00 178.44 178.88 3dxm h ILE 84 N 0.79 1.34 0.00 1.22 5.03 -1.34 -3.01 117.51 121.53 3dxm h ILE 84 Ca 0.20 -1.91 0.00 0.00 -0.12 0.00 0.00 64.86 63.03 3dxm h ILE 84 Cb -0.00 1.89 0.00 0.00 -3.03 0.00 0.00 36.82 35.68 3dxm h ILE 84 CO -0.04 0.59 0.00 -1.20 -0.68 0.00 0.00 178.15 176.82 3dxm n SER 85 N -3.92 0.00 -4.80 1.72 7.64 -0.93 -4.83 113.62 108.50 3dxm n SER 85 Ca -0.04 0.37 -0.34 0.00 1.01 0.00 0.00 58.87 59.87 3dxm n SER 85 Cb 0.64 -0.43 -0.04 0.00 -1.01 0.00 0.00 64.21 63.37 3dxm n SER 85 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3dxm s PHE 86 N -2.86 3.08 -0.07 1.43 0.40 -1.14 -5.05 117.98 113.77 3dxm s PHE 86 Ca 0.09 1.58 -0.18 0.00 -0.60 0.00 0.00 56.93 57.82 3dxm s PHE 86 Cb 0.09 -3.01 -0.05 0.00 0.51 0.00 0.00 43.02 40.57 3dxm s PHE 86 CO 0.24 -0.65 0.48 0.15 0.70 0.00 0.00 175.22 176.13 3dxm s LYS 87 N -3.26 4.24 0.23 0.44 3.01 -1.26 -5.00 119.74 118.13 3dxm s LYS 87 Ca 0.66 0.48 -0.14 0.00 -1.01 0.00 0.00 55.97 55.95 3dxm s LYS 87 Cb -0.14 -3.37 0.27 0.00 -1.01 0.00 0.00 37.83 33.58 3dxm s LYS 87 CO 0.19 0.33 1.59 0.00 0.51 0.00 0.00 175.35 177.96 3dxm h ALA 88 N 6.03 0.33 0.00 5.17 0.00 -1.98 -0.49 119.26 128.33 3dxm h ALA 88 Ca -0.44 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3dxm h ALA 88 Cb 1.19 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3dxm h ALA 88 CO 0.71 -0.51 0.00 0.09 0.00 0.00 0.00 179.25 179.55 3dxm n ASN 89 N -5.50 0.14 -1.17 0.00 3.02 -1.26 -2.93 115.26 107.56 3dxm n ASN 89 Ca 0.09 0.53 0.11 0.00 -0.03 0.00 0.00 54.58 55.28 3dxm n ASN 89 Cb 0.39 -0.56 0.25 0.00 -0.61 0.00 0.00 39.78 39.26 3dxm n ASN 89 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3dxm n ASP 90 N -1.65 3.59 -0.03 6.41 9.92 -0.20 -4.51 116.55 130.09 3dxm n ASP 90 Ca 0.04 -1.98 -0.15 0.00 -0.53 0.00 0.00 54.79 52.17 3dxm n ASP 90 Cb 0.20 -0.35 -0.10 0.00 -0.64 0.00 0.00 41.12 40.23 3dxm n ASP 90 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 3dxm h ILE 91 N 4.05 1.48 -0.30 0.53 2.04 -1.50 -3.23 117.51 120.58 3dxm h ILE 91 Ca 0.00 -1.82 0.07 0.00 1.00 0.00 0.00 64.86 64.11 3dxm h ILE 91 Cb 0.94 2.55 -0.07 0.00 -0.74 0.00 0.00 36.82 39.51 3dxm h ILE 91 CO 0.00 0.51 -0.14 -0.08 0.00 0.00 0.00 178.15 178.44 3dxm h GLU 92 N -0.35 -0.09 -0.27 2.37 4.81 -1.81 -1.62 114.58 117.62 3dxm h GLU 92 Ca -0.03 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3dxm h GLU 92 Cb 0.97 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.33 3dxm h GLU 92 CO 0.06 -0.06 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.05 3dxm h LYS 93 N -0.10 0.07 0.04 1.92 3.64 -1.85 -1.51 116.57 118.78 3dxm h LYS 93 Ca 0.15 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3dxm h LYS 93 Cb 0.33 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3dxm h LYS 93 CO -0.36 0.05 -0.08 0.00 -2.27 0.00 0.00 179.45 176.79 3dxm h ALA 94 N 1.24 -0.12 -0.97 5.00 0.00 -1.50 -2.44 119.26 120.47 3dxm h ALA 94 Ca 0.13 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.15 3dxm h ALA 94 Cb 0.17 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 3dxm h ALA 94 CO -0.22 -0.59 0.60 0.28 0.00 0.00 0.00 179.25 179.32 3dxm h VAL 95 N -0.16 0.92 0.00 0.00 2.07 -1.06 -0.52 116.25 117.50 3dxm h VAL 95 Ca 0.02 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3dxm h VAL 95 Cb 0.17 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 3dxm h VAL 95 CO -0.05 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.71 3dxm n GLN 96 N -4.64 0.02 0.03 1.57 6.02 -0.59 -2.61 117.38 117.18 3dxm n GLN 96 Ca 0.18 0.14 0.13 0.00 -0.01 0.00 0.00 57.00 57.43 3dxm n GLN 96 Cb 0.34 -1.50 0.34 0.00 1.02 0.00 0.00 30.24 30.44 3dxm n GLN 96 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3dxm n SER 97 N -1.48 0.48 -4.89 1.08 3.41 -0.21 -4.89 113.62 107.12 3dxm n SER 97 Ca 0.05 0.17 -0.29 0.00 -0.26 0.00 0.00 58.87 58.54 3dxm n SER 97 Cb 0.24 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 3dxm n SER 97 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3dxm s LEU 98 N -3.58 3.79 0.60 1.04 1.43 -1.07 -5.10 118.68 115.79 3dxm s LEU 98 Ca 0.10 0.99 -0.01 0.00 -1.03 0.00 0.00 54.13 54.18 3dxm s LEU 98 Cb 0.16 -3.89 0.04 0.00 0.03 0.00 0.00 46.19 42.53 3dxm s LEU 98 CO 0.65 -0.44 0.85 1.51 0.23 0.00 0.00 176.35 179.15 3dxm s ASP 99 N -3.53 5.11 0.25 2.29 -4.77 -1.26 -4.84 116.67 109.93 3dxm s ASP 99 Ca 0.49 0.11 -0.03 0.00 -3.30 0.00 0.00 52.55 49.81 3dxm s ASP 99 Cb -0.10 -0.91 0.51 0.00 -1.09 0.00 0.00 42.92 41.32 3dxm s ASP 99 CO 0.36 -1.30 1.70 0.11 0.70 0.00 0.00 175.17 176.75 3dxm h LYS 100 N -0.14 0.33 -0.81 2.11 1.79 -1.98 0.51 116.57 118.38 3dxm h LYS 100 Ca -0.43 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.02 3dxm h LYS 100 Cb 1.30 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 31.84 3dxm h LYS 100 CO 0.54 0.22 0.47 -0.91 -1.08 0.00 0.00 179.45 178.69 3dxm h ASN 101 N 0.34 0.99 -0.30 0.86 2.35 -1.99 -0.78 115.58 117.04 3dxm h ASN 101 Ca 0.44 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 56.11 3dxm h ASN 101 Cb 0.75 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 3dxm h ASN 101 CO -0.49 0.77 0.13 1.23 -1.65 0.00 0.00 177.43 177.42 3dxm h GLY 102 N 1.15 0.47 0.80 2.83 0.00 -1.31 -1.36 103.07 105.66 3dxm h GLY 102 Ca 0.29 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.41 3dxm h GLY 102 CO -0.05 0.24 0.44 -2.08 0.00 0.00 0.00 176.54 175.08 3dxm h VAL 103 N 0.33 1.06 -0.62 4.60 2.07 -0.63 0.17 116.25 123.23 3dxm h VAL 103 Ca 0.10 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3dxm h VAL 103 Cb 0.16 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 3dxm h VAL 103 CO -0.01 0.15 0.30 0.44 0.02 0.00 0.00 177.57 178.47 3dxm h ASP 104 N 0.83 0.81 -0.51 0.57 3.32 -0.90 -1.44 116.42 119.11 3dxm h ASP 104 Ca 0.30 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 3dxm h ASP 104 Cb 0.08 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3dxm h ASP 104 CO -0.14 0.72 -0.05 0.25 -1.72 0.00 0.00 179.24 178.30 3dxm h LEU 105 N 0.85 0.92 -0.17 1.55 5.85 -0.59 -2.64 115.31 121.08 3dxm h LEU 105 Ca 0.21 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.64 3dxm h LEU 105 Cb 0.12 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3dxm h LEU 105 CO -0.03 1.03 -0.04 0.25 -0.34 0.00 0.00 178.44 179.31 3dxm h LEU 106 N 0.80 -0.16 -1.23 2.25 5.85 -0.42 -1.66 115.31 120.73 3dxm h LEU 106 Ca 0.14 0.05 0.12 0.00 0.84 0.00 0.00 57.88 59.03 3dxm h LEU 106 Cb 0.59 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.66 3dxm h LEU 106 CO 0.04 -0.06 0.58 -0.03 -0.34 0.00 0.00 178.44 178.62 3dxm h MET 107 N -0.01 0.77 -0.42 1.25 4.05 -1.13 0.14 114.93 119.59 3dxm h MET 107 Ca 0.08 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.41 3dxm h MET 107 Cb 0.13 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 3dxm h MET 107 CO -0.17 0.51 0.08 0.87 0.23 0.00 0.00 176.91 178.42 3dxm h LYS 108 N 0.79 0.69 -0.39 0.39 1.57 -0.96 -2.33 116.57 116.32 3dxm h LYS 108 Ca 0.44 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.94 3dxm h LYS 108 Cb 0.57 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3dxm h LYS 108 CO -0.20 0.72 -0.17 1.88 -0.57 0.00 0.00 179.45 181.11 3dxm h TYR 109 N 0.54 0.81 -0.12 -1.35 0.99 -0.41 -1.97 116.97 115.46 3dxm h TYR 109 Ca 0.13 -0.16 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3dxm h TYR 109 Cb 0.36 -0.20 -0.01 0.00 1.00 0.00 0.00 36.73 37.88 3dxm h TYR 109 CO 0.02 0.85 0.07 0.82 -0.00 0.00 0.00 178.16 179.93 3dxm h ILE 110 N 0.65 1.02 -0.05 -2.88 2.04 -0.59 0.14 117.51 117.84 3dxm h ILE 110 Ca 0.10 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 3dxm h ILE 110 Cb 0.65 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3dxm h ILE 110 CO 0.05 0.03 -0.12 1.88 0.00 0.00 0.00 178.15 179.98 3dxm h TYR 111 N 0.15 0.08 0.05 1.37 -1.99 -1.33 -1.33 116.97 113.97 3dxm h TYR 111 Ca 0.05 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.77 3dxm h TYR 111 Cb -0.01 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.70 3dxm h TYR 111 CO -0.08 0.20 -0.02 -0.22 -0.00 0.00 0.00 178.16 178.04 3dxm h LYS 112 N 0.07 -0.06 -0.69 4.88 3.11 -0.44 -2.85 116.57 120.58 3dxm h LYS 112 Ca 0.02 0.00 0.07 0.00 -2.81 0.00 0.00 60.65 57.93 3dxm h LYS 112 Cb 0.27 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.47 3dxm h LYS 112 CO 0.02 0.07 0.46 0.78 -2.81 0.00 0.00 179.45 177.96 3dxm h GLY 113 N -0.18 0.88 1.79 5.01 0.00 0.32 -1.27 103.07 109.61 3dxm h GLY 113 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3dxm h GLY 113 CO 0.01 0.19 0.08 0.74 0.00 0.00 0.00 176.54 177.57 3dxm h PHE 114 N 0.68 0.00 -0.01 5.60 0.05 -1.10 -0.46 116.94 121.70 3dxm h PHE 114 Ca 0.30 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.09 3dxm h PHE 114 Cb 0.32 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.27 3dxm h PHE 114 CO -0.00 0.00 -0.32 0.39 -0.18 0.00 0.00 178.31 178.20 3dxm n GLU 115 N -2.35 0.62 -3.24 1.51 1.02 -0.48 -4.43 120.64 113.29 3dxm n GLU 115 Ca -0.02 -0.36 -0.25 0.00 -0.02 0.00 0.00 57.16 56.52 3dxm n GLU 115 Cb 0.12 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 29.98 3dxm n GLU 115 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3dxm n SER 116 N -0.88 0.99 -4.78 1.62 7.64 -0.18 -5.12 113.62 112.91 3dxm n SER 116 Ca 0.10 -2.86 -0.37 0.00 1.01 0.00 0.00 58.87 56.76 3dxm n SER 116 Cb 0.34 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 3dxm n SER 116 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3dxm s PRO 117 N -1.48 3.97 -0.30 1.43 0.02 -1.26 -4.95 135.00 132.44 3dxm s PRO 117 Ca 0.36 1.61 -0.17 0.00 0.02 0.00 0.00 61.00 62.82 3dxm s PRO 117 Cb 0.17 -2.46 0.18 0.00 0.02 0.00 0.00 34.50 32.41 3dxm s PRO 117 CO -0.09 -0.33 1.15 -1.54 -0.33 0.00 0.00 177.00 175.86 3dxm s SER 118 N -1.50 -0.31 -0.52 2.53 1.04 -1.26 -5.00 113.70 108.68 3dxm s SER 118 Ca 0.61 0.42 -0.28 0.00 0.48 0.00 0.00 55.95 57.17 3dxm s SER 118 Cb -0.24 1.35 0.04 0.00 0.10 0.00 0.00 66.02 67.27 3dxm s SER 118 CO 0.30 -0.06 0.65 0.47 0.98 0.00 0.00 173.24 175.58 3dxm n ASP 119 N 4.76 -5.81 -0.02 7.02 8.00 -1.26 -1.75 116.55 127.50 3dxm n ASP 119 Ca -0.08 -0.20 -0.00 0.00 0.71 0.00 0.00 54.79 55.23 3dxm n ASP 119 Cb 0.54 -2.29 -0.00 0.00 -0.02 0.00 0.00 41.12 39.35 3dxm n ASP 119 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dxm n ASN 120 N -0.66 -5.44 -0.33 -2.24 3.02 -1.26 -4.81 115.26 103.53 3dxm n ASN 120 Ca -0.10 0.01 0.03 0.00 -0.03 0.00 0.00 54.58 54.49 3dxm n ASN 120 Cb 0.65 -3.24 0.21 0.00 -0.61 0.00 0.00 39.78 36.79 3dxm n ASN 120 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3dxm h SER 121 N 0.00 0.97 1.10 6.41 4.64 -1.73 0.46 113.55 125.40 3dxm h SER 121 Ca -0.01 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3dxm h SER 121 Cb 0.91 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3dxm h SER 121 CO 0.01 0.62 -0.35 0.28 -0.87 0.00 0.00 176.83 176.52 3dxm h SER 122 N 1.10 0.00 -0.60 4.97 0.02 -1.87 -2.53 113.55 114.64 3dxm h SER 122 Ca 0.40 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.35 3dxm h SER 122 Cb 0.17 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 3dxm h SER 122 CO -0.15 0.35 0.35 0.00 -1.14 0.00 0.00 176.83 176.24 3dxm h ALA 123 N 1.65 0.76 0.07 3.77 0.00 -1.28 -1.02 119.26 123.20 3dxm h ALA 123 Ca -0.00 -0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 3dxm h ALA 123 Cb 1.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3dxm h ALA 123 CO 0.05 0.25 -1.25 -0.24 0.00 0.00 0.00 179.25 178.06 3dxm h VAL 124 N 0.81 1.46 -0.27 0.00 3.04 -1.49 -3.28 116.25 116.52 3dxm h VAL 124 Ca 0.21 -3.12 -0.02 0.00 -1.01 0.00 0.00 66.70 62.76 3dxm h VAL 124 Cb -0.00 2.83 -0.01 0.00 -2.01 0.00 0.00 31.29 32.09 3dxm h VAL 124 CO -0.04 0.88 0.07 -0.07 -1.01 0.00 0.00 177.57 177.40 3dxm h LEU 125 N 0.04 0.34 -1.44 3.16 3.38 -1.21 0.57 115.31 120.15 3dxm h LEU 125 Ca -0.12 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3dxm h LEU 125 Cb 1.91 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 3dxm h LEU 125 CO 0.16 0.35 -0.22 -0.07 0.09 0.00 0.00 178.44 178.75 3dxm h LEU 126 N 0.38 0.00 -0.07 1.67 3.38 -1.25 0.69 115.31 120.12 3dxm h LEU 126 Ca 0.09 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.81 3dxm h LEU 126 Cb 0.14 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.90 3dxm h LEU 126 CO -0.01 0.22 -0.99 1.56 0.09 0.00 0.00 178.44 179.31 3dxm h GLN 127 N 0.00 0.64 -0.44 1.13 1.08 -1.01 -2.50 115.11 114.00 3dxm h GLN 127 Ca -0.00 -0.66 -0.06 0.00 -1.45 0.00 0.00 58.65 56.47 3dxm h GLN 127 Cb 0.59 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 28.18 3dxm h GLN 127 CO 0.03 1.26 0.04 -1.49 -0.95 0.00 0.00 178.83 177.72 3dxm h TRP 128 N 0.37 0.82 -0.56 2.96 4.06 -0.49 -2.44 115.95 120.67 3dxm h TRP 128 Ca -0.11 -0.13 0.02 0.00 2.06 0.00 0.00 58.89 60.74 3dxm h TRP 128 Cb 1.63 -0.22 -0.04 0.00 -1.00 0.00 0.00 29.16 29.54 3dxm h TRP 128 CO 0.09 0.79 0.34 1.25 -3.56 0.00 0.00 178.44 177.34 3dxm h HIS 129 N 0.61 0.63 -0.11 0.49 2.76 -0.90 0.16 115.15 118.79 3dxm h HIS 129 Ca 0.13 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.35 3dxm h HIS 129 Cb 0.44 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 3dxm h HIS 129 CO 0.03 0.36 -0.08 1.49 -1.30 0.00 0.00 177.93 178.43 3dxm h GLU 130 N 0.67 -0.09 -0.39 5.26 4.81 -1.27 0.85 114.58 124.42 3dxm h GLU 130 Ca 0.22 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.34 3dxm h GLU 130 Cb 0.02 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3dxm h GLU 130 CO -0.10 -0.06 -0.21 0.87 -0.73 0.00 0.00 179.01 178.79 3dxm h LYS 131 N -0.09 0.83 -0.75 1.92 6.56 -1.14 -2.35 116.57 121.55 3dxm h LYS 131 Ca 0.07 -0.37 -0.03 0.00 -1.06 0.00 0.00 60.65 59.26 3dxm h LYS 131 Cb 0.19 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 31.80 3dxm h LYS 131 CO -0.17 1.01 0.35 0.00 -2.06 0.00 0.00 179.45 178.58 3dxm h ALA 132 N 0.81 1.21 -0.56 3.86 0.00 -0.48 -2.26 119.26 121.84 3dxm h ALA 132 Ca 0.09 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3dxm h ALA 132 Cb 0.77 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3dxm h ALA 132 CO 0.06 0.60 -0.05 1.25 0.00 0.00 0.00 179.25 181.11 3dxm h LEU 133 N 1.07 0.99 -1.45 0.00 5.85 -0.75 0.10 115.31 121.12 3dxm h LEU 133 Ca 0.26 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3dxm h LEU 133 Cb 0.12 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3dxm h LEU 133 CO -0.03 1.07 0.08 0.00 -0.34 0.00 0.00 178.44 179.21 3dxm h ALA 134 N 1.02 1.57 0.01 1.25 0.00 -0.98 0.25 119.26 122.38 3dxm h ALA 134 Ca 0.16 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3dxm h ALA 134 Cb 0.59 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3dxm h ALA 134 CO 0.04 0.33 -0.47 0.00 0.00 0.00 0.00 179.25 179.15 3dxm h ALA 135 N 1.65 0.08 -0.01 0.00 0.00 -1.01 -3.39 119.26 116.58 3dxm h ALA 135 Ca 0.10 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3dxm h ALA 135 Cb 0.17 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3dxm h ALA 135 CO -0.00 0.26 -0.36 0.41 0.00 0.00 0.00 179.25 179.56 3dxm n GLY 136 N 1.56 -0.08 0.90 0.00 0.00 0.31 -5.09 105.19 102.81 3dxm n GLY 136 Ca -0.17 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.39 3dxm n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dxm n GLY 137 N 1.38 -2.02 0.33 -0.02 0.00 0.89 -3.21 105.19 102.54 3dxm n GLY 137 Ca 0.11 -1.28 0.21 0.00 0.00 0.00 0.00 46.02 45.07 3dxm n GLY 137 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3dxm h VAL 138 N -0.85 0.09 -0.36 1.61 3.04 -1.97 -2.14 116.25 115.68 3dxm h VAL 138 Ca -0.02 -0.04 -0.01 0.00 -1.01 0.00 0.00 66.70 65.62 3dxm h VAL 138 Cb 0.83 1.03 -0.02 0.00 -2.01 0.00 0.00 31.29 31.13 3dxm h VAL 138 CO 0.02 0.00 0.16 1.23 -1.01 0.00 0.00 177.57 177.97 3dxm h GLY 139 N 0.12 0.53 2.00 3.17 0.00 -1.96 -1.12 103.07 105.81 3dxm h GLY 139 Ca -0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 3dxm h GLY 139 CO 0.00 0.23 -0.25 1.48 0.00 0.00 0.00 176.54 178.00 3dxm h SER 140 N 0.50 0.00 0.20 0.19 4.64 -1.35 -1.57 113.55 116.16 3dxm h SER 140 Ca 0.13 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.14 3dxm h SER 140 Cb 0.07 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.20 3dxm h SER 140 CO -0.02 0.25 -1.33 0.40 -0.87 0.00 0.00 176.83 175.27 3dxm h ILE 141 N 0.00 1.31 -0.79 0.95 2.04 -1.40 -3.16 117.51 116.46 3dxm h ILE 141 Ca -0.00 -2.60 0.11 0.00 1.00 0.00 0.00 64.86 63.37 3dxm h ILE 141 Cb 0.51 2.95 -0.05 0.00 -0.74 0.00 0.00 36.82 39.49 3dxm h ILE 141 CO 0.03 0.78 0.52 0.58 0.00 0.00 0.00 178.15 180.06 3dxm h VAL 142 N 0.12 0.92 0.00 1.67 2.07 -0.71 0.17 116.25 120.50 3dxm h VAL 142 Ca -0.22 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3dxm h VAL 142 Cb 2.03 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3dxm h VAL 142 CO 0.25 0.12 0.00 0.54 0.02 0.00 0.00 177.57 178.50 3dxm n ARG 143 N -4.51 0.57 0.04 1.57 1.74 -0.64 -2.05 116.66 113.38 3dxm n ARG 143 Ca 0.14 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 57.04 3dxm n ARG 143 Cb 0.36 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.16 3dxm n ARG 143 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3dxm h VAL 144 N 0.00 0.94 -0.23 1.55 2.07 -0.64 -3.28 116.25 116.66 3dxm h VAL 144 Ca 0.00 -2.62 -0.07 0.00 0.82 0.00 0.00 66.70 64.83 3dxm h VAL 144 Cb 0.21 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 3dxm h VAL 144 CO 0.00 0.80 -0.13 -0.07 0.02 0.00 0.00 177.57 178.19 3dxm h LEU 145 N 0.07 0.52 -1.74 2.57 3.38 -1.03 -3.30 115.31 115.79 3dxm h LEU 145 Ca -0.31 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.23 3dxm h LEU 145 Cb 2.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.64 3dxm h LEU 145 CO 0.14 0.83 0.00 0.35 0.09 0.00 0.00 178.44 179.85 3dxm n THR 146 N -4.49 0.55 -2.39 0.22 -2.24 -0.87 -4.92 114.28 100.15 3dxm n THR 146 Ca -0.04 -0.61 -0.42 0.00 -2.27 0.00 0.00 64.05 60.71 3dxm n THR 146 Cb 0.36 0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 3dxm n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dxm s ALA 147 N -1.45 3.43 -0.06 6.98 0.00 -1.23 -4.90 121.76 124.52 3dxm s ALA 147 Ca 0.34 0.87 0.13 0.00 0.00 0.00 0.00 51.96 53.29 3dxm s ALA 147 Cb 0.18 -3.47 -0.23 0.00 0.00 0.00 0.00 23.12 19.60 3dxm s ALA 147 CO 0.24 -0.49 0.59 0.54 0.00 0.00 0.00 175.76 176.64 3dxm n ARG 148 N 4.05 0.64 -3.80 0.00 5.12 -1.26 -4.68 116.66 116.73 3dxm n ARG 148 Ca 0.09 0.27 -0.37 0.00 -1.93 0.00 0.00 57.85 55.91 3dxm n ARG 148 Cb 0.46 -1.76 -0.13 0.00 -1.16 0.00 0.00 32.46 29.87 3dxm n ARG 148 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3dxm s LYS 149 N -2.59 2.76 0.00 5.56 3.01 -1.26 -5.14 119.74 122.08 3dxm s LYS 149 Ca -0.06 -1.07 0.00 0.00 -1.01 0.00 0.00 55.97 53.83 3dxm s LYS 149 Cb 0.08 -3.33 0.00 0.00 -1.01 0.00 0.00 37.83 33.57 3dxm s LYS 149 CO 0.82 -0.56 0.14 -2.37 0.51 0.00 0.00 175.35 173.89