#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aub s VAL 2 N 0.00 5.13 0.46 3.15 1.01 -1.26 -0.67 120.40 128.22 2aub s VAL 2 Ca 0.00 -1.01 -0.23 0.00 0.00 0.00 0.00 61.98 60.74 2aub s VAL 2 Cb 0.00 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 2aub s VAL 2 CO 0.00 -0.70 1.21 -0.36 0.00 0.00 0.00 175.10 175.25 2aub s PHE 3 N 1.90 2.81 0.76 5.22 0.40 -0.23 -4.99 117.98 123.86 2aub s PHE 3 Ca 0.07 1.50 -0.11 0.00 -0.60 0.00 0.00 56.93 57.79 2aub s PHE 3 Cb -0.24 -3.48 0.05 0.00 0.51 0.00 0.00 43.02 39.86 2aub s PHE 3 CO 0.07 -1.76 1.08 0.20 0.70 0.00 0.00 175.22 175.52 2aub s GLY 4 N -1.19 1.65 0.07 4.36 0.00 -1.26 -4.82 107.32 106.13 2aub s GLY 4 Ca 0.63 0.03 -0.37 0.00 0.00 0.00 0.00 44.72 45.01 2aub s GLY 4 CO 0.39 0.40 1.57 -0.09 0.00 0.00 0.00 173.10 175.37 2aub h ARG 5 N -1.01 -1.15 -0.07 2.90 2.43 -1.96 0.13 114.38 115.65 2aub h ARG 5 Ca -0.45 0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 58.72 2aub h ARG 5 Cb 1.24 0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 31.04 2aub h ARG 5 CO 0.56 -0.77 -0.32 0.00 -1.51 0.00 0.00 179.97 177.93 2aub h GLU 7 N 0.11 -0.16 -0.42 0.00 4.81 -1.89 -0.49 114.58 116.55 2aub h GLU 7 Ca 0.01 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 2aub h GLU 7 Cb 0.62 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 2aub h GLU 7 CO 0.05 -0.10 -0.03 1.25 -0.73 0.00 0.00 179.01 179.44 2aub h LEU 8 N -0.16 0.75 -0.53 1.64 5.85 -0.64 -2.37 115.31 119.85 2aub h LEU 8 Ca 0.10 -0.33 0.08 0.00 0.84 0.00 0.00 57.88 58.57 2aub h LEU 8 Cb 0.31 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 2aub h LEU 8 CO -0.24 0.90 0.17 0.00 -0.34 0.00 0.00 178.44 178.93 2aub h ALA 9 N 0.88 0.65 -0.70 1.25 0.00 -0.85 0.62 119.26 121.11 2aub h ALA 9 Ca 0.12 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2aub h ALA 9 Cb 0.53 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2aub h ALA 9 CO 0.03 -0.23 0.40 0.00 0.00 0.00 0.00 179.25 179.45 2aub h ALA 10 N 1.37 0.90 -0.32 0.00 0.00 -0.95 0.19 119.26 120.44 2aub h ALA 10 Ca 0.26 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2aub h ALA 10 Cb 0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2aub h ALA 10 CO -0.28 0.39 -0.20 0.00 0.00 0.00 0.00 179.25 179.15 2aub h ALA 11 N 1.21 0.46 -0.72 0.00 0.00 -0.95 -0.52 119.26 118.73 2aub h ALA 11 Ca 0.25 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2aub h ALA 11 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2aub h ALA 11 CO -0.04 0.40 0.47 0.52 0.00 0.00 0.00 179.25 180.60 2aub h MET 12 N 0.47 0.95 -0.46 0.00 2.86 -0.67 -1.94 114.93 116.13 2aub h MET 12 Ca 0.07 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 2aub h MET 12 Cb 0.75 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2aub h MET 12 CO 0.06 0.63 0.14 -0.22 1.06 0.00 0.00 176.91 178.57 2aub h LYS 13 N 0.98 0.72 -0.42 1.72 3.64 -0.81 -1.49 116.57 120.91 2aub h LYS 13 Ca 0.26 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2aub h LYS 13 Cb -0.11 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 2aub h LYS 13 CO -0.06 0.70 0.18 -0.09 -2.27 0.00 0.00 179.45 177.91 2aub h ARG 14 N 0.61 0.59 -0.17 1.90 2.43 -0.89 -1.71 114.38 117.14 2aub h ARG 14 Ca 0.15 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2aub h ARG 14 Cb 0.28 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2aub h ARG 14 CO -0.00 0.48 0.00 0.72 -1.51 0.00 0.00 179.97 179.65 2aub n HIS 15 N -4.38 0.22 -0.96 2.20 8.25 -0.75 -4.91 115.22 114.89 2aub n HIS 15 Ca 0.03 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2aub n HIS 15 Cb 0.14 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 2aub n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2aub n GLY 16 N 0.76 0.44 0.09 -1.41 0.00 -0.64 -4.97 105.19 99.45 2aub n GLY 16 Ca 0.05 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.21 2aub n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2aub h LEU 17 N 0.00 0.00 -9.32 0.99 3.38 -1.47 -3.39 115.31 105.51 2aub h LEU 17 Ca 0.00 -0.13 -0.54 0.00 0.09 0.00 0.00 57.88 57.31 2aub h LEU 17 Cb 0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.81 2aub h LEU 17 CO 0.00 0.06 1.20 -0.62 0.09 0.00 0.00 178.44 179.17 2aub s ASP 18 N -4.45 6.48 -2.06 -0.43 -1.08 -1.26 -1.87 116.67 112.00 2aub s ASP 18 Ca 0.07 2.52 0.00 0.00 -0.52 0.00 0.00 52.55 54.62 2aub s ASP 18 Cb 0.13 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 2aub s ASP 18 CO 0.68 -1.05 0.00 -3.20 0.52 0.00 0.00 175.17 172.12 2aub n ASN 19 N 7.55 -5.43 -4.71 -0.34 5.15 0.80 -4.89 115.26 113.40 2aub n ASN 19 Ca 0.19 0.39 -0.42 0.00 -0.60 0.00 0.00 54.58 54.15 2aub n ASN 19 Cb 0.42 -4.74 -0.03 0.00 -0.53 0.00 0.00 39.78 34.90 2aub n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 2aub s TYR 20 N -2.78 2.88 -0.97 1.20 5.04 -0.78 -1.30 117.35 120.64 2aub s TYR 20 Ca 0.00 0.52 -0.04 0.00 -2.44 0.00 0.00 57.07 55.11 2aub s TYR 20 Cb 0.00 -3.96 0.03 0.00 0.35 0.00 0.00 41.96 38.38 2aub s TYR 20 CO 0.00 -3.62 0.18 0.54 -1.34 0.00 0.00 175.55 171.31 2aub n ARG 21 N 4.39 -2.74 -0.79 4.97 5.12 -1.26 -1.61 116.66 124.74 2aub n ARG 21 Ca 0.15 0.44 0.00 0.00 -1.93 0.00 0.00 57.85 56.51 2aub n ARG 21 Cb 0.39 -5.06 0.00 0.00 -1.16 0.00 0.00 32.46 26.62 2aub n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2aub n GLY 22 N -0.89 0.75 3.53 -0.13 0.00 -0.42 -5.03 105.19 103.01 2aub n GLY 22 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 2aub n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aub s TYR 23 N -2.78 3.22 0.89 1.61 2.02 -0.64 -4.86 117.35 116.82 2aub s TYR 23 Ca 0.00 -0.17 -0.10 0.00 -0.37 0.00 0.00 57.07 56.43 2aub s TYR 23 Cb 0.00 -2.53 0.13 0.00 -0.40 0.00 0.00 41.96 39.15 2aub s TYR 23 CO 0.00 -0.39 1.13 -1.54 -1.57 0.00 0.00 175.55 173.18 2aub s SER 24 N 1.72 3.25 0.27 2.29 1.04 -1.26 -0.14 113.70 120.87 2aub s SER 24 Ca 0.08 2.09 -0.01 0.00 0.48 0.00 0.00 55.95 58.59 2aub s SER 24 Cb -0.17 -2.55 0.51 0.00 0.10 0.00 0.00 66.02 63.91 2aub s SER 24 CO 0.11 -2.88 1.81 0.25 0.98 0.00 0.00 173.24 173.51 2aub h LEU 25 N -1.72 0.76 -1.68 2.42 5.85 -1.90 -0.85 115.31 118.19 2aub h LEU 25 Ca -0.44 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 2aub h LEU 25 Cb 1.26 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2aub h LEU 25 CO 0.44 0.39 0.03 1.23 -0.34 0.00 0.00 178.44 180.19 2aub h GLY 26 N 0.84 0.24 0.86 3.75 0.00 -1.91 -1.32 103.07 105.54 2aub h GLY 26 Ca 0.47 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.72 2aub h GLY 26 CO -0.29 0.10 0.41 3.43 0.00 0.00 0.00 176.54 180.20 2aub h ASN 27 N 0.23 0.67 -0.36 0.19 2.35 -1.38 -0.26 115.58 117.02 2aub h ASN 27 Ca 0.06 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.66 2aub h ASN 27 Cb 0.11 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2aub h ASN 27 CO -0.00 0.46 -0.36 -0.50 -1.65 0.00 0.00 177.43 175.38 2aub h TRP 28 N 0.80 1.05 -0.39 1.19 4.06 -1.31 -1.04 115.95 120.32 2aub h TRP 28 Ca 0.27 -0.32 -0.04 0.00 2.06 0.00 0.00 58.89 60.86 2aub h TRP 28 Cb 0.03 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 27.96 2aub h TRP 28 CO -0.05 1.12 0.09 0.28 -3.56 0.00 0.00 178.44 176.33 2aub h VAL 29 N 0.68 1.23 -0.54 1.49 2.07 -1.20 -1.33 116.25 118.65 2aub h VAL 29 Ca 0.06 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.82 2aub h VAL 29 Cb 0.95 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 2aub h VAL 29 CO 0.09 0.27 0.31 0.00 0.02 0.00 0.00 177.57 178.27 2aub h ALA 31 N 1.25 0.27 -0.67 0.00 0.00 -1.01 -2.15 119.26 116.95 2aub h ALA 31 Ca 0.22 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2aub h ALA 31 Cb 0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2aub h ALA 31 CO -0.11 -0.26 0.26 0.00 0.00 0.00 0.00 179.25 179.14 2aub h ALA 32 N 1.08 1.20 -0.05 0.00 0.00 -0.85 0.59 119.26 121.24 2aub h ALA 32 Ca 0.08 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2aub h ALA 32 Cb -0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 2aub h ALA 32 CO -0.02 0.58 -0.10 -0.22 0.00 0.00 0.00 179.25 179.49 2aub h LYS 33 N 0.96 -0.14 0.00 0.00 1.63 -0.54 -0.71 116.57 117.77 2aub h LYS 33 Ca 0.22 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 2aub h LYS 33 Cb 0.19 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 2aub h LYS 33 CO -0.02 -0.10 -0.49 0.74 -3.45 0.00 0.00 179.45 176.13 2aub h PHE 34 N -0.15 0.00 0.07 1.91 0.04 -1.16 0.84 116.94 118.49 2aub h PHE 34 Ca 0.06 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.72 2aub h PHE 34 Cb 0.22 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.39 2aub h PHE 34 CO -0.19 0.00 -0.47 0.93 -0.60 0.00 0.00 178.31 177.98 2aub h GLU 35 N 0.00 0.20 0.00 1.51 4.39 -0.77 -3.43 114.58 116.48 2aub h GLU 35 Ca 0.00 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2aub h GLU 35 Cb 0.85 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 2aub h GLU 35 CO 0.00 1.11 0.00 -1.13 -1.16 0.00 0.00 179.01 177.83 2aub n SER 36 N -4.33 0.23 -2.82 1.42 3.41 -0.30 -4.84 113.62 106.40 2aub n SER 36 Ca -0.12 -0.65 -0.20 0.00 -0.26 0.00 0.00 58.87 57.64 2aub n SER 36 Cb 0.66 0.18 0.01 0.00 -0.26 0.00 0.00 64.21 64.80 2aub n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2aub n ASN 37 N -0.18 -5.14 -1.06 4.04 5.15 0.29 -1.77 115.26 116.59 2aub n ASN 37 Ca 0.00 -0.14 -0.13 0.00 -0.60 0.00 0.00 54.58 53.70 2aub n ASN 37 Cb 0.08 -4.24 -0.06 0.00 -0.53 0.00 0.00 39.78 35.04 2aub n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2aub n PHE 38 N -4.05 -0.03 -3.50 1.20 3.72 -1.21 -4.84 117.46 108.75 2aub n PHE 38 Ca -0.13 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.85 2aub n PHE 38 Cb 0.62 -2.45 -0.10 0.00 -0.94 0.00 0.00 39.48 36.61 2aub n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2aub s ASN 39 N -2.84 6.07 0.60 4.37 3.84 -0.73 -1.06 114.94 125.19 2aub s ASN 39 Ca 0.00 -0.65 0.32 0.00 0.21 0.00 0.00 52.86 52.74 2aub s ASN 39 Cb 0.00 -2.14 1.90 0.00 -0.55 0.00 0.00 41.25 40.46 2aub s ASN 39 CO 0.00 -0.33 2.26 0.71 -2.79 0.00 0.00 177.10 176.95 2aub h THR 40 N 5.56 0.43 -0.01 -5.21 1.35 -1.21 -2.57 112.91 111.26 2aub h THR 40 Ca -0.29 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2aub h THR 40 Cb 1.14 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 2aub h THR 40 CO 0.68 0.01 -0.03 0.00 -0.25 0.00 0.00 175.52 175.93 2aub n GLN 41 N -3.68 1.45 -1.86 4.72 6.02 -1.26 -4.08 117.38 118.68 2aub n GLN 41 Ca -0.03 -0.74 -0.41 0.00 -0.01 0.00 0.00 57.00 55.80 2aub n GLN 41 Cb 0.10 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.85 2aub n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2aub s ALA 42 N -2.07 3.72 -0.00 -1.58 0.00 -0.97 -4.79 121.76 116.07 2aub s ALA 42 Ca 0.38 1.48 0.02 0.00 0.00 0.00 0.00 51.96 53.84 2aub s ALA 42 Cb 0.21 -3.62 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 2aub s ALA 42 CO 0.36 -0.89 -0.06 0.95 0.00 0.00 0.00 175.76 176.13 2aub s THR 43 N 0.12 0.45 -0.11 0.00 -4.23 -1.26 -0.46 115.64 110.14 2aub s THR 43 Ca 0.63 -0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 60.85 2aub s THR 43 Cb -0.46 -0.38 0.05 0.00 1.34 0.00 0.00 72.50 73.06 2aub s THR 43 CO 0.45 0.13 0.26 0.20 -0.54 0.00 0.00 174.62 175.11 2aub s ASN 44 N -0.12 -0.09 0.16 3.99 0.01 -0.59 -4.98 114.94 113.32 2aub s ASN 44 Ca 0.02 0.56 -0.30 0.00 -0.71 0.00 0.00 52.86 52.43 2aub s ASN 44 Cb -0.02 0.50 -0.07 0.00 0.41 0.00 0.00 41.25 42.07 2aub s ASN 44 CO -0.00 -0.19 1.08 -0.60 -1.51 0.00 0.00 177.10 175.88 2aub s ARG 45 N 1.60 4.61 0.37 -0.60 6.06 -1.26 -0.67 118.95 129.06 2aub s ARG 45 Ca -0.06 1.67 -0.03 0.00 -2.50 0.00 0.00 55.73 54.81 2aub s ARG 45 Cb -0.11 -3.30 -0.04 0.00 0.06 0.00 0.00 34.95 31.57 2aub s ARG 45 CO -0.09 0.10 0.62 -0.80 -2.50 0.00 0.00 175.30 172.63 2aub s ASN 46 N -0.08 6.34 0.47 -2.12 0.02 0.24 -4.94 114.94 114.87 2aub s ASN 46 Ca 0.49 0.68 0.14 0.00 -1.02 0.00 0.00 52.86 53.15 2aub s ASN 46 Cb -0.28 -2.13 1.12 0.00 0.02 0.00 0.00 41.25 39.98 2aub s ASN 46 CO 0.34 -0.34 2.08 0.71 0.02 0.00 0.00 177.10 179.91 2aub h THR 47 N 0.81 0.98 0.00 1.60 1.35 -1.97 -1.46 112.91 114.23 2aub h THR 47 Ca -0.48 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 2aub h THR 47 Cb 1.21 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2aub h THR 47 CO 0.63 0.04 0.00 -0.90 -0.25 0.00 0.00 175.52 175.04 2aub n ASP 48 N -4.49 0.00 0.00 5.36 5.68 -1.26 -4.87 116.55 116.97 2aub n ASP 48 Ca 0.02 -0.99 0.00 0.00 -0.50 0.00 0.00 54.79 53.33 2aub n ASP 48 Cb 0.19 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 2aub n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2aub n GLY 49 N 0.79 1.20 3.81 6.12 0.00 -0.55 -5.03 105.19 111.52 2aub n GLY 49 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2aub n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aub s SER 50 N -2.54 3.24 0.03 1.61 1.04 -1.26 -4.73 113.70 111.10 2aub s SER 50 Ca 0.00 0.76 0.03 0.00 0.48 0.00 0.00 55.95 57.22 2aub s SER 50 Cb 0.00 -1.18 -0.02 0.00 0.10 0.00 0.00 66.02 64.92 2aub s SER 50 CO 0.00 -2.70 -0.09 -0.89 0.98 0.00 0.00 173.24 170.54 2aub s THR 51 N -3.40 0.69 -0.11 2.02 2.01 -1.26 -0.60 115.64 114.99 2aub s THR 51 Ca 0.66 -0.85 -0.05 0.00 0.31 0.00 0.00 61.69 61.76 2aub s THR 51 Cb -0.12 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 2aub s THR 51 CO 0.53 -0.15 0.10 -1.81 -0.69 0.00 0.00 174.62 172.60 2aub s ASP 52 N -1.10 6.02 -0.04 3.53 1.01 0.16 -0.32 116.67 125.92 2aub s ASP 52 Ca -0.04 0.36 0.03 0.00 0.71 0.00 0.00 52.55 53.62 2aub s ASP 52 Cb -0.07 -1.88 0.01 0.00 1.01 0.00 0.00 42.92 41.98 2aub s ASP 52 CO 0.01 0.40 -0.11 -0.31 0.21 0.00 0.00 175.17 175.36 2aub s TYR 53 N -0.99 1.27 0.00 4.23 1.51 -0.37 -1.54 117.35 121.46 2aub s TYR 53 Ca 0.15 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 2aub s TYR 53 Cb -0.12 -0.91 0.00 0.00 -0.11 0.00 0.00 41.96 40.82 2aub s TYR 53 CO 0.04 -0.18 0.00 0.41 -1.11 0.00 0.00 175.55 174.70 2aub n GLY 54 N 3.51 -1.94 0.37 0.71 0.00 0.39 -1.66 105.19 106.56 2aub n GLY 54 Ca -0.21 -1.58 0.19 0.00 0.00 0.00 0.00 46.02 44.42 2aub n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2aub h ILE 55 N 0.00 0.77 -0.01 -0.61 6.09 -1.71 -1.24 117.51 120.80 2aub h ILE 55 Ca 0.00 -0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2aub h ILE 55 Cb 0.00 0.77 0.00 0.00 0.47 0.00 0.00 36.82 38.06 2aub h ILE 55 CO 0.00 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.26 2aub n LEU 56 N -4.40 2.33 -3.91 2.19 4.77 -1.26 -4.17 117.00 112.54 2aub n LEU 56 Ca 0.08 -2.80 -0.25 0.00 -0.03 0.00 0.00 56.01 53.01 2aub n LEU 56 Cb 0.54 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 2aub n LEU 56 CO 0.37 0.66 -0.20 0.00 -1.33 0.00 0.00 177.39 176.88 2aub n GLN 57 N -1.14 -3.60 -2.12 3.23 1.13 -0.47 -4.87 117.38 109.54 2aub n GLN 57 Ca 0.12 0.44 -0.43 0.00 -1.94 0.00 0.00 57.00 55.20 2aub n GLN 57 Cb 0.55 -4.66 -0.03 0.00 0.11 0.00 0.00 30.24 26.21 2aub n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2aub s ILE 58 N -3.89 3.69 0.39 5.09 1.01 -0.67 -4.36 121.20 122.47 2aub s ILE 58 Ca 0.03 0.78 -0.24 0.00 0.00 0.00 0.00 60.65 61.21 2aub s ILE 58 Cb -0.01 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.65 2aub s ILE 58 CO 0.88 -0.31 1.06 0.21 0.00 0.00 0.00 174.94 176.77 2aub s ASN 59 N 4.31 6.77 0.00 3.58 3.84 -1.26 -1.23 114.94 130.95 2aub s ASN 59 Ca 0.71 2.06 0.30 0.00 0.21 0.00 0.00 52.86 56.15 2aub s ASN 59 Cb -0.24 -2.59 1.58 0.00 -0.55 0.00 0.00 41.25 39.45 2aub s ASN 59 CO 0.29 -0.49 2.06 -1.54 -2.79 0.00 0.00 177.10 174.64 2aub n SER 60 N -0.00 0.20 0.04 -4.21 3.41 0.56 -2.14 113.62 111.48 2aub n SER 60 Ca 0.05 -0.67 -0.03 0.00 -0.26 0.00 0.00 58.87 57.96 2aub n SER 60 Cb 0.49 -0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 64.32 2aub n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2aub h ARG 61 N 0.28 -0.18 0.02 4.33 2.43 -1.81 -3.41 114.38 116.03 2aub h ARG 61 Ca 0.00 0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 58.92 2aub h ARG 61 Cb 0.20 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 2aub h ARG 61 CO 0.00 -0.12 -1.40 -1.49 -1.51 0.00 0.00 179.97 175.45 2aub h TRP 62 N -0.84 0.07 0.00 2.20 4.06 -1.72 2.33 115.95 122.05 2aub h TRP 62 Ca -0.02 -0.05 -0.28 0.00 2.06 0.00 0.00 58.89 60.60 2aub h TRP 62 Cb 0.15 -0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.25 2aub h TRP 62 CO 0.01 1.07 -2.04 0.91 -3.56 0.00 0.00 178.44 174.82 2aub n TRP 63 N -3.24 0.00 -3.99 0.49 7.02 -0.91 -0.72 117.44 116.10 2aub n TRP 63 Ca -0.10 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.29 2aub n TRP 63 Cb 1.01 -0.73 -0.08 0.00 -2.42 0.00 0.00 31.31 29.08 2aub n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2aub s ASN 65 N -2.93 5.95 0.00 0.00 2.47 -0.04 -4.58 114.94 115.81 2aub s ASN 65 Ca 0.11 0.09 0.02 0.00 0.42 0.00 0.00 52.86 53.50 2aub s ASN 65 Cb 0.06 -2.06 0.02 0.00 -1.45 0.00 0.00 41.25 37.82 2aub s ASN 65 CO -0.06 0.08 0.67 -0.90 -3.72 0.00 0.00 177.10 173.18 2aub n ASP 66 N 4.17 1.39 0.00 -4.21 5.68 -1.26 -0.75 116.55 121.57 2aub n ASP 66 Ca -0.15 -1.30 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 2aub n ASP 66 Cb 0.52 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 2aub n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2aub n GLY 67 N -0.01 0.51 0.10 6.12 0.00 -1.26 -4.81 105.19 105.83 2aub n GLY 67 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 2aub n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2aub n ARG 68 N -1.87 1.48 -3.85 1.61 1.85 -1.26 -4.93 116.66 109.68 2aub n ARG 68 Ca 0.00 -1.60 -0.29 0.00 -1.00 0.00 0.00 57.85 54.96 2aub n ARG 68 Cb 0.04 -1.00 -0.11 0.00 -1.05 0.00 0.00 32.46 30.34 2aub n ARG 68 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2aub n THR 69 N -0.64 1.86 -1.62 8.89 -1.04 -1.26 -4.92 114.28 115.55 2aub n THR 69 Ca 0.05 -4.92 -0.48 0.00 -2.04 0.00 0.00 64.05 56.66 2aub n THR 69 Cb 0.49 -2.21 -0.04 0.00 -1.82 0.00 0.00 70.33 66.75 2aub n THR 69 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2aub n PRO 70 N 1.94 1.59 -0.15 -2.82 -0.02 -1.26 -1.78 135.00 132.51 2aub n PRO 70 Ca 0.21 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2aub n PRO 70 Cb 0.35 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2aub n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aub n GLY 71 N 2.36 1.12 3.92 -1.23 0.00 -1.26 -5.03 105.19 105.07 2aub n GLY 71 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 2aub n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aub s SER 72 N -2.92 4.67 0.47 1.61 1.04 -0.73 -5.07 113.70 112.76 2aub s SER 72 Ca 0.00 0.52 0.06 0.00 0.48 0.00 0.00 55.95 57.01 2aub s SER 72 Cb 0.00 -1.10 -0.00 0.00 0.10 0.00 0.00 66.02 65.01 2aub s SER 72 CO 0.00 -1.72 0.33 -0.13 0.98 0.00 0.00 173.24 172.69 2aub s ARG 73 N -5.36 2.32 -0.39 4.02 1.81 0.79 -5.00 118.95 117.14 2aub s ARG 73 Ca 0.61 -1.85 0.09 0.00 -1.72 0.00 0.00 55.73 52.87 2aub s ARG 73 Cb -0.10 -2.13 0.29 0.00 -0.45 0.00 0.00 34.95 32.55 2aub s ARG 73 CO 0.46 -0.36 0.64 -1.71 -0.68 0.00 0.00 175.30 173.65 2aub n ASN 74 N -1.55 0.15 0.07 0.23 5.15 -1.23 -3.98 115.26 114.10 2aub n ASN 74 Ca -0.00 -2.88 0.10 0.00 -0.60 0.00 0.00 54.58 51.20 2aub n ASN 74 Cb 0.64 -0.40 0.42 0.00 -0.53 0.00 0.00 39.78 39.91 2aub n ASN 74 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2aub n LEU 75 N 0.97 0.38 -0.63 1.20 4.77 0.10 -2.05 117.00 121.74 2aub n LEU 75 Ca 0.21 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.90 2aub n LEU 75 Cb 0.59 -0.52 0.17 0.00 -2.33 0.00 0.00 43.42 41.33 2aub n LEU 75 CO 0.18 -0.38 0.56 0.00 -1.33 0.00 0.00 177.39 176.42 2aub n ASN 77 N 0.43 -5.38 -3.45 0.00 5.15 -0.87 -4.98 115.26 106.15 2aub n ASN 77 Ca 0.13 -0.85 -0.14 0.00 -0.60 0.00 0.00 54.58 53.12 2aub n ASN 77 Cb 0.48 -2.60 -0.03 0.00 -0.53 0.00 0.00 39.78 37.11 2aub n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2aub s ILE 78 N -3.13 0.00 0.32 -1.44 -4.36 -1.26 -5.07 121.20 106.26 2aub s ILE 78 Ca 0.13 -0.01 -0.28 0.00 -0.26 0.00 0.00 60.65 60.23 2aub s ILE 78 Cb -0.06 -1.00 -0.10 0.00 1.25 0.00 0.00 42.46 42.55 2aub s ILE 78 CO 0.87 -0.01 1.16 -2.84 0.24 0.00 0.00 174.94 174.37 2aub s PRO 79 N -2.98 4.44 0.45 0.37 0.02 -1.26 -0.86 135.00 135.18 2aub s PRO 79 Ca -0.03 1.89 0.12 0.00 0.02 0.00 0.00 61.00 63.01 2aub s PRO 79 Cb -0.01 -3.04 1.03 0.00 0.02 0.00 0.00 34.50 32.51 2aub s PRO 79 CO -0.06 0.01 2.05 0.00 -0.33 0.00 0.00 177.00 178.66 2aub h SER 81 N 0.36 0.00 0.35 0.00 0.02 -1.92 -0.36 113.55 112.01 2aub h SER 81 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2aub h SER 81 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2aub h SER 81 CO -0.04 0.04 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 2aub h ALA 82 N 1.96 1.00 -0.02 3.77 0.00 -1.50 -1.59 119.26 122.87 2aub h ALA 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2aub h ALA 82 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2aub h ALA 82 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 2aub n LEU 83 N -2.41 0.69 -0.53 0.00 4.77 -0.15 -3.48 117.00 115.90 2aub n LEU 83 Ca -0.00 -0.25 0.08 0.00 -0.03 0.00 0.00 56.01 55.82 2aub n LEU 83 Cb 0.13 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2aub n LEU 83 CO 0.16 0.12 0.39 0.18 -1.33 0.00 0.00 177.39 176.91 2aub n LEU 84 N -0.43 2.04 -4.72 2.23 4.77 -0.60 -3.90 117.00 116.39 2aub n LEU 84 Ca 0.20 -0.88 -0.36 0.00 -0.03 0.00 0.00 56.01 54.94 2aub n LEU 84 Cb 0.21 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.38 2aub n LEU 84 CO 0.16 0.37 0.87 -1.54 -1.33 0.00 0.00 177.39 175.92 2aub n SER 85 N 0.41 1.83 0.25 -1.43 3.41 -1.23 -4.20 113.62 112.65 2aub n SER 85 Ca 0.08 0.78 0.07 0.00 -0.26 0.00 0.00 58.87 59.55 2aub n SER 85 Cb 0.39 -1.54 0.61 0.00 -0.26 0.00 0.00 64.21 63.41 2aub n SER 85 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2aub h SER 86 N 0.23 0.01 -3.38 4.04 0.02 -1.93 -3.41 113.55 109.13 2aub h SER 86 Ca -0.50 -0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 59.87 2aub h SER 86 Cb 1.33 -0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.78 2aub h SER 86 CO 0.51 0.04 -0.06 -0.62 -1.14 0.00 0.00 176.83 175.57 2aub s ASP 87 N -7.05 6.68 -0.00 3.07 -1.08 -1.26 -4.96 116.67 112.07 2aub s ASP 87 Ca -0.05 0.81 0.11 0.00 -0.52 0.00 0.00 52.55 52.90 2aub s ASP 87 Cb 0.17 -2.31 0.31 0.00 -1.46 0.00 0.00 42.92 39.63 2aub s ASP 87 CO 0.68 -0.10 1.25 2.30 0.52 0.00 0.00 175.17 179.82 2aub n ILE 88 N 4.07 0.49 -0.12 4.11 -5.35 -1.26 -4.46 119.36 116.84 2aub n ILE 88 Ca -0.05 -0.48 -0.05 0.00 -0.27 0.00 0.00 62.75 61.90 2aub n ILE 88 Cb 0.51 0.22 0.01 0.00 -1.74 0.00 0.00 39.64 38.64 2aub n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2aub h THR 89 N 2.05 0.41 -0.60 7.28 2.02 -1.94 0.27 112.91 122.39 2aub h THR 89 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 2aub h THR 89 Cb 0.49 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2aub h THR 89 CO 0.01 0.00 0.03 0.00 0.37 0.00 0.00 175.52 175.93 2aub h ALA 90 N 1.15 0.80 -0.69 6.16 0.00 -1.86 0.12 119.26 124.94 2aub h ALA 90 Ca 0.20 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2aub h ALA 90 Cb 0.43 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2aub h ALA 90 CO -0.49 0.61 0.36 0.77 0.00 0.00 0.00 179.25 180.50 2aub h SER 91 N 0.93 0.89 -0.46 0.00 0.02 -1.65 -1.54 113.55 111.73 2aub h SER 91 Ca 0.17 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 2aub h SER 91 Cb 0.52 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 2aub h SER 91 CO 0.02 0.75 0.07 0.58 -1.14 0.00 0.00 176.83 177.12 2aub h VAL 92 N 0.96 1.25 -0.85 2.27 2.07 -0.52 0.67 116.25 122.10 2aub h VAL 92 Ca 0.24 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.88 2aub h VAL 92 Cb 0.08 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 2aub h VAL 92 CO -0.03 0.32 0.55 0.78 0.02 0.00 0.00 177.57 179.20 2aub h ASN 93 N 0.64 0.91 -0.22 0.57 2.35 -0.80 -0.83 115.58 118.19 2aub h ASN 93 Ca 0.14 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.74 2aub h ASN 93 Cb 0.39 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2aub h ASN 93 CO 0.01 0.63 -0.44 0.00 -1.65 0.00 0.00 177.43 175.98 2aub h ALA 95 N 0.62 1.68 -0.77 0.00 0.00 -0.46 -0.63 119.26 119.70 2aub h ALA 95 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2aub h ALA 95 Cb 1.04 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 2aub h ALA 95 CO 0.10 0.21 0.47 0.87 0.00 0.00 0.00 179.25 180.90 2aub h LYS 96 N 0.78 1.04 -0.37 0.00 1.57 -1.06 -0.47 116.57 118.05 2aub h LYS 96 Ca 0.31 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 2aub h LYS 96 Cb 0.22 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2aub h LYS 96 CO -0.10 0.73 0.15 -0.22 -0.57 0.00 0.00 179.45 179.44 2aub h LYS 97 N 1.05 0.54 -0.21 3.15 3.64 -1.08 -2.85 116.57 120.82 2aub h LYS 97 Ca 0.28 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2aub h LYS 97 Cb -0.04 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 2aub h LYS 97 CO -0.05 0.52 0.14 0.82 -2.27 0.00 0.00 179.45 178.60 2aub h ILE 98 N 0.45 1.04 0.00 2.00 2.04 -0.80 -2.39 117.51 119.85 2aub h ILE 98 Ca 0.12 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2aub h ILE 98 Cb 0.17 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2aub h ILE 98 CO -0.01 0.05 0.00 0.55 0.00 0.00 0.00 178.15 178.74 2aub n VAL 99 N -4.95 0.72 1.26 1.67 3.14 -0.23 -1.69 118.33 118.25 2aub n VAL 99 Ca -0.03 0.14 0.13 0.00 -2.96 0.00 0.00 64.34 61.62 2aub n VAL 99 Cb 0.03 -0.89 0.39 0.00 -1.06 0.00 0.00 33.84 32.31 2aub n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2aub n SER 100 N -1.73 1.04 0.07 6.55 7.64 -0.91 -3.83 113.62 122.45 2aub n SER 100 Ca 0.04 -0.92 0.12 0.00 1.01 0.00 0.00 58.87 59.13 2aub n SER 100 Cb 0.24 0.12 0.47 0.00 -1.01 0.00 0.00 64.21 64.03 2aub n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2aub n ASP 101 N -0.61 0.47 0.00 6.43 2.03 -0.68 -4.90 116.55 119.29 2aub n ASP 101 Ca 0.13 0.56 0.00 0.00 0.52 0.00 0.00 54.79 56.00 2aub n ASP 101 Cb 0.35 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 2aub n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2aub n GLY 102 N 0.94 1.42 0.90 0.27 0.00 -1.26 -4.96 105.19 102.49 2aub n GLY 102 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 2aub n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2aub n ASN 103 N 0.00 3.57 0.00 1.61 3.02 -1.26 -5.06 115.26 117.13 2aub n ASN 103 Ca 0.00 -2.39 0.00 0.00 -0.03 0.00 0.00 54.58 52.16 2aub n ASN 103 Cb 0.00 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 2aub n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aub n GLY 104 N 0.33 2.48 0.00 7.41 0.00 -1.25 -2.01 105.19 112.14 2aub n GLY 104 Ca 0.17 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.90 2aub n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2aub n MET 105 N 10.79 0.34 0.27 1.61 2.81 -1.26 -2.90 117.12 128.78 2aub n MET 105 Ca 0.00 0.06 0.19 0.00 -1.81 0.00 0.00 57.70 56.14 2aub n MET 105 Cb 0.00 -1.50 0.97 0.00 -0.71 0.00 0.00 33.22 31.98 2aub n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2aub h ASN 106 N 0.00 0.00 -0.51 7.83 2.35 -1.82 -1.32 115.58 122.10 2aub h ASN 106 Ca 0.00 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 55.89 2aub h ASN 106 Cb 0.23 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 2aub h ASN 106 CO 0.00 0.00 0.37 0.00 -1.65 0.00 0.00 177.43 176.15 2aub h ALA 107 N 2.01 2.42 -2.39 -0.83 0.00 -1.70 -3.38 119.26 115.40 2aub h ALA 107 Ca 0.00 -0.02 -0.63 0.00 0.00 0.00 0.00 54.91 54.27 2aub h ALA 107 Cb 0.05 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.73 2aub h ALA 107 CO 0.00 -0.56 0.10 -1.58 0.00 0.00 0.00 179.25 177.20 2aub s TRP 108 N -5.06 3.18 0.22 0.00 0.51 -0.50 -4.95 118.94 112.33 2aub s TRP 108 Ca -0.05 0.41 -0.02 0.00 -2.12 0.00 0.00 56.10 54.31 2aub s TRP 108 Cb 0.20 -3.03 0.19 0.00 -0.81 0.00 0.00 33.47 30.02 2aub s TRP 108 CO 0.73 -0.54 1.58 0.28 -0.51 0.00 0.00 176.95 178.49 2aub h VAL 109 N 5.61 1.30 -0.38 4.03 2.07 -1.85 -1.52 116.25 125.51 2aub h VAL 109 Ca -0.27 -1.56 -0.06 0.00 0.82 0.00 0.00 66.70 65.63 2aub h VAL 109 Cb 1.12 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 2aub h VAL 109 CO 0.81 0.50 -0.03 0.00 0.02 0.00 0.00 177.57 178.86 2aub h ALA 110 N 1.07 1.25 -0.15 1.67 0.00 -1.92 -2.03 119.26 119.14 2aub h ALA 110 Ca 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2aub h ALA 110 Cb 0.91 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2aub h ALA 110 CO 0.08 0.50 0.04 2.35 0.00 0.00 0.00 179.25 182.22 2aub h TRP 111 N 0.57 0.25 -0.36 0.00 7.01 -1.61 0.14 115.95 121.95 2aub h TRP 111 Ca 0.12 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.09 2aub h TRP 111 Cb 0.41 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.38 2aub h TRP 111 CO 0.02 0.38 0.24 -0.09 -2.79 0.00 0.00 178.44 176.19 2aub h ARG 112 N 0.05 0.47 0.00 2.65 2.43 -1.13 0.14 114.38 118.99 2aub h ARG 112 Ca 0.05 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2aub h ARG 112 Cb 0.25 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2aub h ARG 112 CO 0.00 0.32 -0.11 -0.91 -1.51 0.00 0.00 179.97 177.76 2aub h ASN 113 N 0.48 0.00 0.00 -3.80 2.35 -1.24 -3.36 115.58 110.01 2aub h ASN 113 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2aub h ASN 113 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2aub h ASN 113 CO -0.03 0.11 -0.67 0.54 -1.65 0.00 0.00 177.43 175.73 2aub n ARG 114 N -3.13 1.99 -0.05 0.81 1.74 0.47 -4.90 116.66 113.60 2aub n ARG 114 Ca 0.04 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.03 2aub n ARG 114 Cb 0.57 -0.83 -0.04 0.00 -1.02 0.00 0.00 32.46 31.14 2aub n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2aub n LYS 116 N -3.12 1.85 0.00 0.00 4.81 0.29 -1.42 118.16 120.57 2aub n LYS 116 Ca -0.18 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 2aub n LYS 116 Cb 0.66 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.29 2aub n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2aub n GLY 117 N 3.38 2.31 3.97 3.14 0.00 -1.26 -4.97 105.19 111.76 2aub n GLY 117 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 2aub n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aub s THR 118 N -2.46 2.24 -1.33 2.61 -4.23 -0.51 -4.95 115.64 107.00 2aub s THR 118 Ca 0.00 -0.49 -0.17 0.00 -1.18 0.00 0.00 61.69 59.85 2aub s THR 118 Cb 0.00 -2.75 0.04 0.00 1.34 0.00 0.00 72.50 71.13 2aub s THR 118 CO 0.00 0.00 1.96 -0.67 -0.54 0.00 0.00 174.62 175.37 2aub n ASP 119 N -2.85 4.28 0.28 3.99 -0.08 -1.26 -4.75 116.55 116.16 2aub n ASP 119 Ca 0.13 -2.86 0.18 0.00 -1.51 0.00 0.00 54.79 50.72 2aub n ASP 119 Cb 0.60 -1.68 0.75 0.00 2.34 0.00 0.00 41.12 43.14 2aub n ASP 119 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 2aub h VAL 120 N 4.89 0.00 0.00 5.18 -1.51 -1.90 -2.34 116.25 120.57 2aub h VAL 120 Ca 0.49 -0.43 -0.01 0.00 -1.23 0.00 0.00 66.70 65.52 2aub h VAL 120 Cb 0.77 1.42 -0.00 0.00 -2.13 0.00 0.00 31.29 31.34 2aub h VAL 120 CO 1.65 0.00 -0.03 -0.61 -1.23 0.00 0.00 177.57 177.35 2aub h GLN 121 N 0.00 0.00 -0.52 5.19 -0.00 -1.88 -1.17 115.11 116.73 2aub h GLN 121 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 58.65 58.80 2aub h GLN 121 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.89 2aub h GLN 121 CO 0.00 0.03 0.37 0.00 0.00 0.00 0.00 178.83 179.24 2aub h ALA 122 N 1.97 2.45 0.00 3.38 0.00 -1.82 -1.58 119.26 123.66 2aub h ALA 122 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2aub h ALA 122 Cb 0.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2aub h ALA 122 CO 0.00 -0.60 0.00 -1.49 0.00 0.00 0.00 179.25 177.16 2aub h TRP 123 N 0.03 0.00 -0.41 0.00 4.06 -1.43 -2.37 115.95 115.84 2aub h TRP 123 Ca 0.25 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.20 2aub h TRP 123 Cb 0.95 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.11 2aub h TRP 123 CO -0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 2aub n ILE 124 N -2.34 1.14 -1.73 1.49 -5.35 -0.60 -4.80 119.36 107.16 2aub n ILE 124 Ca 0.02 -1.08 -0.42 0.00 -0.27 0.00 0.00 62.75 61.00 2aub n ILE 124 Cb 0.23 0.42 -0.01 0.00 -1.74 0.00 0.00 39.64 38.54 2aub n ILE 124 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 2aub n ARG 125 N 0.62 2.52 0.00 6.28 1.85 -0.89 -2.32 116.66 124.72 2aub n ARG 125 Ca 0.15 0.89 0.00 0.00 -1.00 0.00 0.00 57.85 57.89 2aub n ARG 125 Cb 0.51 -2.63 0.00 0.00 -1.05 0.00 0.00 32.46 29.30 2aub n ARG 125 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2aub n GLY 126 N 1.71 2.94 3.74 2.89 0.00 -1.26 -4.98 105.19 110.23 2aub n GLY 126 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2aub n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aub s ARG 128 N -0.76 3.08 0.00 0.00 0.52 -1.26 -5.11 118.95 115.41 2aub s ARG 128 Ca 0.45 -1.10 0.00 0.00 -0.52 0.00 0.00 55.73 54.57 2aub s ARG 128 Cb -0.28 -4.17 0.00 0.00 0.52 0.00 0.00 34.95 31.03 2aub s ARG 128 CO 0.34 -1.32 0.21 1.28 0.02 0.00 0.00 175.30 175.84