#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vds s VAL 2 N 0.00 5.20 0.46 3.15 1.01 -1.26 -0.85 120.40 128.11 1vds s VAL 2 Ca 0.00 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.21 1vds s VAL 2 Cb 0.00 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.33 1vds s VAL 2 CO 0.00 -0.35 1.10 -0.36 0.00 0.00 0.00 175.10 175.49 1vds s PHE 3 N 1.84 2.97 0.65 5.22 0.40 -0.17 -4.99 117.98 123.90 1vds s PHE 3 Ca 0.07 1.57 -0.11 0.00 -0.60 0.00 0.00 56.93 57.87 1vds s PHE 3 Cb -0.18 -3.24 -0.02 0.00 0.51 0.00 0.00 43.02 40.09 1vds s PHE 3 CO 0.11 -1.15 1.04 0.20 0.70 0.00 0.00 175.22 176.13 1vds s GLY 4 N -1.59 1.66 0.09 4.36 0.00 -1.26 -4.85 107.32 105.72 1vds s GLY 4 Ca 0.64 -0.04 -0.34 0.00 0.00 0.00 0.00 44.72 44.98 1vds s GLY 4 CO 0.29 0.25 1.59 -0.09 0.00 0.00 0.00 173.10 175.13 1vds h ARG 5 N -0.48 -0.89 -0.18 2.90 2.43 -1.97 0.13 114.38 116.33 1vds h ARG 5 Ca -0.44 0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 58.70 1vds h ARG 5 Cb 1.20 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.94 1vds h ARG 5 CO 0.60 -0.59 -0.30 0.00 -1.51 0.00 0.00 179.97 178.17 1vds h GLU 7 N 0.30 0.86 -0.24 0.00 4.81 -1.91 -1.74 114.58 116.67 1vds h GLU 7 Ca 0.04 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1vds h GLU 7 Cb 0.68 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1vds h GLU 7 CO 0.05 0.59 -0.20 1.25 -0.73 0.00 0.00 179.01 179.98 1vds h LEU 8 N 0.88 0.59 -0.89 1.64 5.85 -0.51 -2.13 115.31 120.73 1vds h LEU 8 Ca 0.24 -0.45 0.12 0.00 0.84 0.00 0.00 57.88 58.62 1vds h LEU 8 Cb -0.07 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.71 1vds h LEU 8 CO -0.05 0.92 0.51 0.00 -0.34 0.00 0.00 178.44 179.48 1vds h ALA 9 N 0.69 1.33 -0.38 1.25 0.00 -1.04 -0.72 119.26 120.39 1vds h ALA 9 Ca 0.04 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1vds h ALA 9 Cb 0.74 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1vds h ALA 9 CO 0.05 0.06 -0.37 0.00 0.00 0.00 0.00 179.25 179.00 1vds h ALA 10 N 1.52 0.63 -0.23 0.00 0.00 -1.18 -1.17 119.26 118.82 1vds h ALA 10 Ca 0.46 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1vds h ALA 10 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1vds h ALA 10 CO -0.30 0.67 -0.44 0.00 0.00 0.00 0.00 179.25 179.18 1vds h ALA 11 N 0.84 0.79 -0.33 0.00 0.00 -0.77 -1.87 119.26 117.92 1vds h ALA 11 Ca 0.06 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 1vds h ALA 11 Cb 0.95 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1vds h ALA 11 CO 0.09 0.66 -0.34 0.52 0.00 0.00 0.00 179.25 180.18 1vds h MET 12 N 0.47 0.74 -0.27 0.00 2.86 -0.99 -1.88 114.93 115.86 1vds h MET 12 Ca 0.03 -0.35 -0.02 0.00 -2.06 0.00 0.00 59.70 57.30 1vds h MET 12 Cb 0.96 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 1vds h MET 12 CO 0.09 0.97 0.10 -0.22 1.06 0.00 0.00 176.91 178.91 1vds h LYS 13 N 0.62 0.41 -0.54 1.72 3.64 -1.10 -1.25 116.57 120.08 1vds h LYS 13 Ca 0.06 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1vds h LYS 13 Cb 0.87 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 1vds h LYS 13 CO 0.08 0.45 0.25 -0.09 -2.27 0.00 0.00 179.45 177.87 1vds h ARG 14 N 0.29 0.76 -0.20 1.90 2.43 -1.13 -1.31 114.38 117.12 1vds h ARG 14 Ca 0.09 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1vds h ARG 14 Cb 0.19 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1vds h ARG 14 CO -0.01 0.60 0.00 0.72 -1.51 0.00 0.00 179.97 179.77 1vds n HIS 15 N -4.36 0.12 -0.68 2.20 8.25 -0.72 -4.91 115.22 115.10 1vds n HIS 15 Ca 0.05 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1vds n HIS 15 Cb 0.13 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1vds n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vds n GLY 16 N 0.54 0.68 0.24 -1.41 0.00 -0.49 -4.97 105.19 99.78 1vds n GLY 16 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 1vds n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1vds h LEU 17 N 0.00 0.00 -9.27 0.99 3.38 -1.41 -3.39 115.31 105.62 1vds h LEU 17 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1vds h LEU 17 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1vds h LEU 17 CO 0.00 0.00 1.09 -0.62 0.09 0.00 0.00 178.44 179.00 1vds s ASP 18 N -5.90 6.66 -1.77 -0.43 2.15 -1.26 -1.77 116.67 114.35 1vds s ASP 18 Ca 0.05 2.25 0.00 0.00 0.43 0.00 0.00 52.55 55.28 1vds s ASP 18 Cb 0.07 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1vds s ASP 18 CO 0.61 -0.93 0.00 0.59 -0.17 0.00 0.00 175.17 175.28 1vds n ASN 19 N 7.12 -5.02 -4.70 -0.34 5.03 0.36 -4.86 115.26 112.86 1vds n ASN 19 Ca 0.17 0.40 -0.42 0.00 0.87 0.00 0.00 54.58 55.60 1vds n ASN 19 Cb 0.43 -4.00 -0.03 0.00 -1.02 0.00 0.00 39.78 35.16 1vds n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1vds s TYR 20 N -2.63 2.86 -1.21 3.10 5.04 -0.73 -1.01 117.35 122.77 1vds s TYR 20 Ca 0.00 0.72 -0.04 0.00 -2.44 0.00 0.00 57.07 55.31 1vds s TYR 20 Cb 0.00 -3.76 0.03 0.00 0.35 0.00 0.00 41.96 38.58 1vds s TYR 20 CO 0.00 -2.85 0.24 0.54 -1.34 0.00 0.00 175.55 172.14 1vds n ARG 21 N 4.97 -2.93 -0.89 4.97 1.74 -1.26 -1.63 116.66 121.62 1vds n ARG 21 Ca 0.13 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.82 1vds n ARG 21 Cb 0.42 -5.27 0.00 0.00 -1.02 0.00 0.00 32.46 26.59 1vds n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vds n GLY 22 N -1.02 0.59 3.42 -0.13 0.00 -0.18 -5.02 105.19 102.84 1vds n GLY 22 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1vds n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vds s TYR 23 N -2.15 3.22 0.82 1.61 2.02 -0.65 -4.88 117.35 117.34 1vds s TYR 23 Ca 0.00 -0.73 -0.10 0.00 -0.37 0.00 0.00 57.07 55.87 1vds s TYR 23 Cb 0.00 -2.42 0.09 0.00 -0.40 0.00 0.00 41.96 39.22 1vds s TYR 23 CO 0.00 -0.55 1.11 -1.54 -1.57 0.00 0.00 175.55 173.00 1vds s SER 24 N 1.60 3.97 0.33 2.29 1.04 -1.26 -0.49 113.70 121.17 1vds s SER 24 Ca 0.04 1.95 0.07 0.00 0.48 0.00 0.00 55.95 58.49 1vds s SER 24 Cb -0.18 -2.54 0.77 0.00 0.10 0.00 0.00 66.02 64.17 1vds s SER 24 CO 0.07 -2.40 1.82 0.25 0.98 0.00 0.00 173.24 173.96 1vds h LEU 25 N -1.37 0.73 -1.64 2.42 5.85 -1.89 -0.04 115.31 119.37 1vds h LEU 25 Ca -0.43 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.42 1vds h LEU 25 Cb 1.24 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 1vds h LEU 25 CO 0.48 0.32 0.34 1.23 -0.34 0.00 0.00 178.44 180.47 1vds h GLY 26 N 0.75 0.55 1.01 3.75 0.00 -1.92 -1.65 103.07 105.55 1vds h GLY 26 Ca 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 1vds h GLY 26 CO -0.29 0.13 0.35 3.43 0.00 0.00 0.00 176.54 180.16 1vds h ASN 27 N 0.43 0.89 -0.28 0.19 4.21 -1.23 -0.99 115.58 118.81 1vds h ASN 27 Ca 0.23 -0.12 -0.17 0.00 1.21 0.00 0.00 56.30 57.45 1vds h ASN 27 Cb 0.34 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 37.31 1vds h ASN 27 CO -0.06 0.76 -0.46 -0.50 -1.29 0.00 0.00 177.43 175.87 1vds h TRP 28 N 0.96 1.04 -0.30 1.19 4.06 -1.38 -1.15 115.95 120.37 1vds h TRP 28 Ca 0.24 -0.34 -0.14 0.00 2.06 0.00 0.00 58.89 60.71 1vds h TRP 28 Cb 0.09 -0.21 -0.00 0.00 -1.00 0.00 0.00 29.16 28.03 1vds h TRP 28 CO 0.00 1.15 -0.37 0.28 -3.56 0.00 0.00 178.44 175.94 1vds h VAL 29 N 0.67 1.29 -0.53 1.49 2.07 -1.28 -1.42 116.25 118.55 1vds h VAL 29 Ca 0.04 -1.55 0.01 0.00 0.82 0.00 0.00 66.70 66.02 1vds h VAL 29 Cb 1.05 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 1vds h VAL 29 CO 0.11 0.50 0.34 0.00 0.02 0.00 0.00 177.57 178.54 1vds h ALA 31 N 1.20 0.55 -0.43 0.00 0.00 -1.05 -2.05 119.26 117.49 1vds h ALA 31 Ca 0.20 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1vds h ALA 31 Cb -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1vds h ALA 31 CO -0.06 0.15 0.08 0.00 0.00 0.00 0.00 179.25 179.43 1vds h ALA 32 N 1.02 1.35 0.22 0.00 0.00 -1.05 -0.01 119.26 120.78 1vds h ALA 32 Ca 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1vds h ALA 32 Cb 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1vds h ALA 32 CO -0.01 0.46 -0.13 -0.22 0.00 0.00 0.00 179.25 179.35 1vds h LYS 33 N 0.62 -0.33 0.00 0.00 1.63 -0.73 -1.16 116.57 116.61 1vds h LYS 33 Ca 0.14 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1vds h LYS 33 Cb 0.27 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1vds h LYS 33 CO 0.00 -0.22 -0.62 0.74 -3.45 0.00 0.00 179.45 175.91 1vds h PHE 34 N -0.34 0.00 0.24 1.91 0.04 -1.22 -0.08 116.94 117.48 1vds h PHE 34 Ca -0.02 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.42 1vds h PHE 34 Cb 0.29 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.47 1vds h PHE 34 CO -0.09 0.00 -1.49 0.93 -0.60 0.00 0.00 178.31 177.06 1vds h GLU 35 N 0.00 0.50 0.00 1.51 4.39 -0.93 -3.43 114.58 116.62 1vds h GLU 35 Ca 0.00 -0.86 0.00 0.00 0.34 0.00 0.00 59.36 58.84 1vds h GLU 35 Cb 0.92 0.32 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1vds h GLU 35 CO 0.00 1.41 0.00 -1.13 -1.16 0.00 0.00 179.01 178.13 1vds n SER 36 N -3.68 0.12 -3.58 1.42 3.41 -0.45 -4.85 113.62 105.99 1vds n SER 36 Ca -0.17 -0.81 -0.26 0.00 -0.26 0.00 0.00 58.87 57.37 1vds n SER 36 Cb 1.10 0.03 0.05 0.00 -0.26 0.00 0.00 64.21 65.13 1vds n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1vds n ASN 37 N -0.03 -5.70 -1.44 4.04 5.15 -0.04 -1.98 115.26 115.26 1vds n ASN 37 Ca 0.00 -0.56 -0.18 0.00 -0.60 0.00 0.00 54.58 53.23 1vds n ASN 37 Cb 0.17 -4.53 -0.08 0.00 -0.53 0.00 0.00 39.78 34.81 1vds n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1vds n PHE 38 N -4.76 -0.03 -3.43 1.20 3.72 -1.16 -4.84 117.46 108.16 1vds n PHE 38 Ca -0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 1vds n PHE 38 Cb 0.56 -3.16 -0.10 0.00 -0.94 0.00 0.00 39.48 35.85 1vds n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1vds s ASN 39 N -2.79 6.17 0.58 4.37 3.04 -0.84 -0.99 114.94 124.48 1vds s ASN 39 Ca 0.00 -0.07 0.33 0.00 0.04 0.00 0.00 52.86 53.17 1vds s ASN 39 Cb 0.00 -2.19 1.76 0.00 -1.54 0.00 0.00 41.25 39.28 1vds s ASN 39 CO 0.00 -0.25 2.17 0.71 -3.04 0.00 0.00 177.10 176.69 1vds h THR 40 N 5.47 0.32 -0.02 -5.21 1.35 -1.30 -2.83 112.91 110.69 1vds h THR 40 Ca -0.31 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1vds h THR 40 Cb 1.16 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1vds h THR 40 CO 0.65 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.98 1vds n GLN 41 N -3.44 1.71 -1.94 4.72 6.02 -1.26 -4.03 117.38 119.16 1vds n GLN 41 Ca -0.02 -1.03 -0.42 0.00 -0.01 0.00 0.00 57.00 55.53 1vds n GLN 41 Cb 0.18 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.94 1vds n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1vds s ALA 42 N -1.99 3.73 0.04 -1.58 0.00 -1.07 -4.81 121.76 116.07 1vds s ALA 42 Ca 0.37 1.38 0.04 0.00 0.00 0.00 0.00 51.96 53.75 1vds s ALA 42 Cb 0.21 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1vds s ALA 42 CO 0.33 -0.79 -0.12 0.95 0.00 0.00 0.00 175.76 176.13 1vds s THR 43 N 0.63 0.92 -0.07 0.00 -4.23 -1.26 -0.63 115.64 111.00 1vds s THR 43 Ca 0.66 -0.94 -0.05 0.00 -1.18 0.00 0.00 61.69 60.18 1vds s THR 43 Cb -0.44 -0.86 0.03 0.00 1.34 0.00 0.00 72.50 72.57 1vds s THR 43 CO 0.37 -0.07 0.16 0.21 -0.54 0.00 0.00 174.62 174.76 1vds s ASN 44 N -1.13 -0.16 0.06 3.99 2.47 -0.60 -4.97 114.94 114.60 1vds s ASN 44 Ca -0.01 0.33 -0.22 0.00 0.42 0.00 0.00 52.86 53.39 1vds s ASN 44 Cb -0.08 0.29 -0.06 0.00 -1.45 0.00 0.00 41.25 39.95 1vds s ASN 44 CO 0.01 -0.09 0.65 -0.60 -3.72 0.00 0.00 177.10 173.35 1vds s ARG 45 N 0.51 4.36 0.26 0.43 6.06 -1.26 -0.52 118.95 128.80 1vds s ARG 45 Ca -0.04 0.88 0.05 0.00 -2.50 0.00 0.00 55.73 54.12 1vds s ARG 45 Cb -0.05 -3.30 -0.02 0.00 0.06 0.00 0.00 34.95 31.64 1vds s ARG 45 CO -0.02 0.48 0.39 -0.80 -2.50 0.00 0.00 175.30 172.85 1vds s ASN 46 N -0.65 6.23 0.49 -2.12 0.02 0.30 -4.95 114.94 114.27 1vds s ASN 46 Ca 0.33 0.01 0.15 0.00 -1.02 0.00 0.00 52.86 52.33 1vds s ASN 46 Cb -0.20 -1.71 1.17 0.00 0.02 0.00 0.00 41.25 40.53 1vds s ASN 46 CO 0.21 -0.16 2.11 0.71 0.02 0.00 0.00 177.10 179.98 1vds h THR 47 N 1.09 1.04 0.00 1.60 1.35 -1.98 -1.17 112.91 114.84 1vds h THR 47 Ca -0.50 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1vds h THR 47 Cb 1.24 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1vds h THR 47 CO 0.59 0.05 0.00 -0.90 -0.25 0.00 0.00 175.52 175.01 1vds n ASP 48 N -4.49 0.00 0.00 5.36 5.75 -1.26 -4.87 116.55 117.04 1vds n ASP 48 Ca -0.02 -1.22 0.00 0.00 -0.01 0.00 0.00 54.79 53.54 1vds n ASP 48 Cb 0.12 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1vds n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vds n GLY 49 N 0.51 1.63 3.84 6.12 0.00 -0.44 -5.02 105.19 111.83 1vds n GLY 49 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1vds n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vds s SER 50 N -2.95 3.67 0.03 1.61 1.04 -1.26 -4.74 113.70 111.09 1vds s SER 50 Ca 0.00 0.75 0.02 0.00 0.48 0.00 0.00 55.95 57.20 1vds s SER 50 Cb 0.00 -1.18 -0.02 0.00 0.10 0.00 0.00 66.02 64.92 1vds s SER 50 CO 0.00 -2.43 -0.07 -0.89 0.98 0.00 0.00 173.24 170.83 1vds s THR 51 N -3.49 0.53 -0.10 2.02 2.01 -1.26 -0.54 115.64 114.81 1vds s THR 51 Ca 0.65 -0.83 -0.08 0.00 0.31 0.00 0.00 61.69 61.75 1vds s THR 51 Cb -0.11 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 1vds s THR 51 CO 0.52 -0.22 0.18 -1.81 -0.69 0.00 0.00 174.62 172.60 1vds s ASP 52 N -1.13 6.45 -0.05 3.53 1.01 0.33 -1.07 116.67 125.73 1vds s ASP 52 Ca -0.06 0.54 0.02 0.00 0.71 0.00 0.00 52.55 53.76 1vds s ASP 52 Cb -0.08 -2.10 0.01 0.00 1.01 0.00 0.00 42.92 41.77 1vds s ASP 52 CO 0.00 0.40 -0.09 -0.31 0.21 0.00 0.00 175.17 175.38 1vds s TYR 53 N -1.04 1.08 0.00 4.23 1.51 0.04 -1.56 117.35 121.61 1vds s TYR 53 Ca 0.16 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 1vds s TYR 53 Cb -0.13 -0.82 0.00 0.00 -0.11 0.00 0.00 41.96 40.90 1vds s TYR 53 CO 0.05 -0.20 0.00 0.41 -1.11 0.00 0.00 175.55 174.71 1vds n GLY 54 N 3.74 -2.05 0.36 0.71 0.00 0.19 -1.34 105.19 106.80 1vds n GLY 54 Ca -0.23 -1.61 0.14 0.00 0.00 0.00 0.00 46.02 44.32 1vds n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1vds h ILE 55 N 0.00 0.85 -0.24 -0.61 2.10 -1.70 -0.54 117.51 117.37 1vds h ILE 55 Ca 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.82 1vds h ILE 55 Cb 0.00 0.48 0.00 0.00 -1.09 0.00 0.00 36.82 36.21 1vds h ILE 55 CO 0.00 0.06 0.00 0.18 -1.08 0.00 0.00 178.15 177.31 1vds n LEU 56 N -4.46 3.17 -3.79 2.19 4.77 -1.26 -4.10 117.00 113.52 1vds n LEU 56 Ca 0.10 -2.54 -0.29 0.00 -0.03 0.00 0.00 56.01 53.26 1vds n LEU 56 Cb 0.43 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1vds n LEU 56 CO 0.34 0.68 -0.14 0.00 -1.33 0.00 0.00 177.39 176.95 1vds n GLN 57 N -0.22 -2.36 -2.54 3.23 1.13 -0.21 -4.90 117.38 111.50 1vds n GLN 57 Ca 0.15 0.44 -0.41 0.00 -1.94 0.00 0.00 57.00 55.24 1vds n GLN 57 Cb 0.62 -4.34 -0.04 0.00 0.11 0.00 0.00 30.24 26.59 1vds n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1vds s ILE 58 N -3.68 4.07 0.13 5.09 1.01 -0.45 -4.26 121.20 123.11 1vds s ILE 58 Ca 0.25 1.68 -0.24 0.00 0.00 0.00 0.00 60.65 62.34 1vds s ILE 58 Cb -0.09 -4.08 -0.07 0.00 0.01 0.00 0.00 42.46 38.23 1vds s ILE 58 CO 0.87 0.24 0.74 0.21 0.00 0.00 0.00 174.94 177.00 1vds s ASN 59 N 0.22 7.30 0.10 3.58 3.84 -1.26 -0.78 114.94 127.94 1vds s ASN 59 Ca 0.51 1.55 0.27 0.00 0.21 0.00 0.00 52.86 55.40 1vds s ASN 59 Cb -0.28 -2.47 0.97 0.00 -0.55 0.00 0.00 41.25 38.92 1vds s ASN 59 CO 0.33 0.18 1.81 -1.54 -2.79 0.00 0.00 177.10 175.08 1vds n SER 60 N 1.88 0.42 -0.11 -4.21 3.41 -0.24 -1.96 113.62 112.81 1vds n SER 60 Ca -0.06 0.48 -0.05 0.00 -0.26 0.00 0.00 58.87 58.98 1vds n SER 60 Cb 0.49 -0.57 0.14 0.00 -0.26 0.00 0.00 64.21 64.02 1vds n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1vds h ARG 61 N 0.00 0.80 0.00 4.33 9.65 -1.84 -3.39 114.38 123.93 1vds h ARG 61 Ca 0.00 -0.24 -0.12 0.00 -1.10 0.00 0.00 59.98 58.52 1vds h ARG 61 Cb 0.62 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.09 1vds h ARG 61 CO 0.00 0.83 -1.46 0.91 2.80 0.00 0.00 179.97 183.05 1vds n TRP 62 N -4.19 0.00 -0.03 2.20 7.02 -1.22 -0.24 117.44 120.98 1vds n TRP 62 Ca 0.02 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.49 1vds n TRP 62 Cb 0.33 -0.33 -0.09 0.00 -2.42 0.00 0.00 31.31 28.80 1vds n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1vds n TRP 63 N -2.31 0.00 -4.00 -5.99 7.02 -0.83 -0.97 117.44 110.36 1vds n TRP 63 Ca -0.11 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.28 1vds n TRP 63 Cb 0.71 -0.41 -0.08 0.00 -2.42 0.00 0.00 31.31 29.11 1vds n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1vds s ASN 65 N -2.94 5.79 0.00 0.00 3.84 0.21 -4.62 114.94 117.21 1vds s ASN 65 Ca 0.13 0.04 0.02 0.00 0.21 0.00 0.00 52.86 53.26 1vds s ASN 65 Cb 0.06 -2.03 0.03 0.00 -0.55 0.00 0.00 41.25 38.75 1vds s ASN 65 CO -0.05 0.07 0.76 -0.90 -2.79 0.00 0.00 177.10 174.19 1vds n ASP 66 N 4.22 1.56 0.00 -4.21 5.68 -1.26 -0.61 116.55 121.93 1vds n ASP 66 Ca -0.16 -1.46 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 1vds n ASP 66 Cb 0.52 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1vds n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vds n GLY 67 N -0.08 0.53 0.44 6.12 0.00 -1.26 -4.80 105.19 106.15 1vds n GLY 67 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1vds n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1vds n ARG 68 N -2.07 0.00 -3.75 1.61 1.85 -1.26 -4.95 116.66 108.09 1vds n ARG 68 Ca 0.00 -0.92 -0.36 0.00 -1.00 0.00 0.00 57.85 55.58 1vds n ARG 68 Cb 0.07 -0.49 -0.10 0.00 -1.05 0.00 0.00 32.46 30.89 1vds n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1vds s THR 69 N 0.00 3.58 0.23 8.89 2.01 -1.26 -4.90 115.64 124.19 1vds s THR 69 Ca 0.00 -3.04 -0.32 0.00 0.31 0.00 0.00 61.69 58.65 1vds s THR 69 Cb 0.00 -3.35 -0.13 0.00 0.01 0.00 0.00 72.50 69.04 1vds s THR 69 CO 0.00 -0.87 1.54 -2.65 -0.69 0.00 0.00 174.62 171.95 1vds n PRO 70 N 3.40 2.35 -1.88 4.92 -0.02 -1.26 -2.73 135.00 139.78 1vds n PRO 70 Ca 0.08 0.84 -0.09 0.00 -2.02 0.00 0.00 63.50 62.31 1vds n PRO 70 Cb 0.37 -2.58 -0.02 0.00 -0.02 0.00 0.00 33.50 31.25 1vds n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vds n GLY 71 N 2.67 0.35 3.91 -1.23 0.00 -1.26 -5.03 105.19 104.60 1vds n GLY 71 Ca 0.12 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 1vds n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vds s SER 72 N -2.70 6.45 0.47 1.61 1.04 -1.10 -5.07 113.70 114.40 1vds s SER 72 Ca 0.00 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.00 1vds s SER 72 Cb 0.00 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 64.04 1vds s SER 72 CO 0.00 -0.06 0.70 -0.13 0.98 0.00 0.00 173.24 174.73 1vds s ARG 73 N -3.16 2.97 -0.51 4.02 0.52 0.67 -4.97 118.95 118.48 1vds s ARG 73 Ca 0.41 -0.51 0.07 0.00 -0.52 0.00 0.00 55.73 55.18 1vds s ARG 73 Cb -0.11 -2.53 0.29 0.00 0.52 0.00 0.00 34.95 33.11 1vds s ARG 73 CO 0.27 -0.37 0.73 -1.71 0.02 0.00 0.00 175.30 174.25 1vds n ASN 74 N -2.15 2.49 0.28 0.23 5.15 -1.22 -3.44 115.26 116.59 1vds n ASN 74 Ca 0.03 -3.23 0.16 0.00 -0.60 0.00 0.00 54.58 50.93 1vds n ASN 74 Cb 0.58 -0.63 0.81 0.00 -0.53 0.00 0.00 39.78 40.01 1vds n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1vds h LEU 75 N 3.66 0.00 -0.70 1.20 3.38 -1.08 -1.72 115.31 120.04 1vds h LEU 75 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1vds h LEU 75 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1vds h LEU 75 CO 0.68 0.07 -0.09 0.00 0.09 0.00 0.00 178.44 179.19 1vds n ASN 77 N -0.24 -3.82 -3.76 0.00 4.13 -0.65 -4.98 115.26 105.95 1vds n ASN 77 Ca 0.17 -0.85 -0.13 0.00 1.68 0.00 0.00 54.58 55.45 1vds n ASN 77 Cb 0.33 -4.16 -0.09 0.00 -1.54 0.00 0.00 39.78 34.32 1vds n ASN 77 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1vds s ILE 78 N -3.53 0.05 0.36 2.41 -4.36 -1.26 -5.08 121.20 109.79 1vds s ILE 78 Ca 0.26 -0.38 -0.27 0.00 -0.26 0.00 0.00 60.65 60.00 1vds s ILE 78 Cb -0.07 -0.59 -0.09 0.00 1.25 0.00 0.00 42.46 42.96 1vds s ILE 78 CO 0.81 -0.21 1.23 -2.16 0.24 0.00 0.00 174.94 174.85 1vds s PRO 79 N -1.03 4.23 0.53 0.37 0.04 -1.26 -0.62 135.00 137.25 1vds s PRO 79 Ca -0.11 2.02 0.20 0.00 0.04 0.00 0.00 61.00 63.15 1vds s PRO 79 Cb -0.05 -2.90 1.40 0.00 0.04 0.00 0.00 34.50 32.99 1vds s PRO 79 CO 0.04 -0.23 2.16 0.00 0.04 0.00 0.00 177.00 179.01 1vds h SER 81 N 0.00 0.00 -0.12 0.00 4.64 -1.92 -0.82 113.55 115.34 1vds h SER 81 Ca -0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1vds h SER 81 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1vds h SER 81 CO 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 176.83 176.05 1vds h ALA 82 N 1.99 2.10 0.00 5.18 0.00 -1.65 -1.05 119.26 125.82 1vds h ALA 82 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1vds h ALA 82 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1vds h ALA 82 CO -0.00 -0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.40 1vds n LEU 83 N -4.51 0.00 -0.81 0.00 4.77 -0.31 -3.24 117.00 112.90 1vds n LEU 83 Ca -0.00 0.11 0.10 0.00 -0.03 0.00 0.00 56.01 56.19 1vds n LEU 83 Cb 0.20 -0.11 0.08 0.00 -2.33 0.00 0.00 43.42 41.26 1vds n LEU 83 CO 0.35 -0.01 0.56 0.18 -1.33 0.00 0.00 177.39 177.13 1vds n LEU 84 N -1.11 2.68 -4.70 2.23 4.77 -0.40 -4.11 117.00 116.37 1vds n LEU 84 Ca 0.17 -0.98 -0.34 0.00 -0.03 0.00 0.00 56.01 54.84 1vds n LEU 84 Cb 0.14 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.35 1vds n LEU 84 CO 0.17 0.46 0.78 -0.24 -1.33 0.00 0.00 177.39 177.23 1vds n SER 85 N 1.09 1.12 0.24 -1.43 2.88 -1.20 -4.09 113.62 112.23 1vds n SER 85 Ca 0.12 0.60 0.10 0.00 -1.33 0.00 0.00 58.87 58.36 1vds n SER 85 Cb 0.52 -1.52 0.57 0.00 -0.75 0.00 0.00 64.21 63.03 1vds n SER 85 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1vds h SER 86 N -0.82 0.00 -3.40 -3.46 4.64 -1.93 -3.41 113.55 105.17 1vds h SER 86 Ca -0.47 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.27 1vds h SER 86 Cb 1.30 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.31 1vds h SER 86 CO 0.46 0.20 0.65 -0.62 -0.87 0.00 0.00 176.83 176.66 1vds s ASP 87 N -6.28 6.78 0.00 4.97 -1.08 -1.26 -4.93 116.67 114.87 1vds s ASP 87 Ca -0.02 0.80 0.23 0.00 -0.52 0.00 0.00 52.55 53.04 1vds s ASP 87 Cb 0.12 -2.48 1.29 0.00 -1.46 0.00 0.00 42.92 40.39 1vds s ASP 87 CO 0.62 -0.81 1.84 2.30 0.52 0.00 0.00 175.17 179.65 1vds n ILE 88 N 5.82 0.03 -0.19 4.11 -5.35 -1.26 -4.29 119.36 118.22 1vds n ILE 88 Ca 0.08 -0.06 -0.01 0.00 -0.27 0.00 0.00 62.75 62.50 1vds n ILE 88 Cb 0.48 -0.22 0.07 0.00 -1.74 0.00 0.00 39.64 38.23 1vds n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1vds h THR 89 N 0.42 0.48 -0.60 7.28 2.02 -1.95 -0.18 112.91 120.39 1vds h THR 89 Ca 0.00 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 1vds h THR 89 Cb 0.09 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 1vds h THR 89 CO 0.00 0.01 0.22 0.00 0.37 0.00 0.00 175.52 176.12 1vds h ALA 90 N 1.54 0.79 -0.69 6.16 0.00 -1.87 0.08 119.26 125.26 1vds h ALA 90 Ca 0.29 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1vds h ALA 90 Cb 0.45 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1vds h ALA 90 CO -0.53 0.43 0.19 0.77 0.00 0.00 0.00 179.25 180.11 1vds h SER 91 N 0.85 1.03 0.01 0.00 0.02 -1.66 -1.70 113.55 112.09 1vds h SER 91 Ca 0.20 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1vds h SER 91 Cb 0.24 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1vds h SER 91 CO -0.01 0.98 -0.00 0.58 -1.14 0.00 0.00 176.83 177.23 1vds h VAL 92 N 1.03 1.13 -0.98 2.27 2.07 -0.63 -0.56 116.25 120.57 1vds h VAL 92 Ca 0.22 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1vds h VAL 92 Cb 0.34 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1vds h VAL 92 CO -0.00 0.10 0.65 0.78 0.02 0.00 0.00 177.57 179.12 1vds h ASN 93 N -0.18 1.11 -0.29 0.57 2.35 -0.93 -1.10 115.58 117.11 1vds h ASN 93 Ca -0.00 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.58 1vds h ASN 93 Cb 0.18 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 1vds h ASN 93 CO 0.00 0.79 -0.40 0.00 -1.65 0.00 0.00 177.43 176.16 1vds h ALA 95 N 0.69 1.35 -0.93 0.00 0.00 -0.71 -0.93 119.26 118.71 1vds h ALA 95 Ca 0.03 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1vds h ALA 95 Cb 1.00 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1vds h ALA 95 CO 0.09 0.21 0.61 0.87 0.00 0.00 0.00 179.25 181.03 1vds h LYS 96 N 0.94 1.14 -0.36 0.00 1.57 -1.15 -0.18 116.57 118.52 1vds h LYS 96 Ca 0.44 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 59.03 1vds h LYS 96 Cb 0.38 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1vds h LYS 96 CO -0.24 0.75 -0.24 -0.22 -0.57 0.00 0.00 179.45 178.93 1vds h LYS 97 N 1.17 0.80 0.07 3.15 3.64 -1.19 -2.89 116.57 121.32 1vds h LYS 97 Ca 0.37 -0.38 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1vds h LYS 97 Cb 0.01 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1vds h LYS 97 CO -0.11 1.01 -0.03 0.82 -2.27 0.00 0.00 179.45 178.86 1vds h ILE 98 N 0.59 0.99 0.00 2.00 2.04 -0.66 -2.56 117.51 119.93 1vds h ILE 98 Ca 0.07 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1vds h ILE 98 Cb 0.80 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1vds h ILE 98 CO 0.07 0.05 0.00 1.62 0.00 0.00 0.00 178.15 179.89 1vds h VAL 99 N -0.18 0.00 -0.00 1.67 3.04 -1.09 -0.87 116.25 118.81 1vds h VAL 99 Ca -0.01 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1vds h VAL 99 Cb 0.15 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 1vds h VAL 99 CO 0.02 0.00 -0.22 -1.20 -1.01 0.00 0.00 177.57 175.16 1vds n SER 100 N -2.87 0.57 0.16 3.17 7.64 -0.98 -3.57 113.62 117.73 1vds n SER 100 Ca -0.00 -0.47 0.12 0.00 1.01 0.00 0.00 58.87 59.53 1vds n SER 100 Cb 0.21 -0.00 0.55 0.00 -1.01 0.00 0.00 64.21 63.96 1vds n SER 100 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1vds h ASP 101 N 0.55 0.00 0.00 6.43 3.58 -0.91 -3.46 116.42 122.61 1vds h ASP 101 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1vds h ASP 101 Cb 0.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1vds h ASP 101 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1vds n GLY 102 N -0.34 3.64 1.38 -0.78 0.00 -1.26 -4.95 105.19 102.88 1vds n GLY 102 Ca 0.01 -0.68 0.11 0.00 0.00 0.00 0.00 46.02 45.46 1vds n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vds n ASN 103 N 0.00 4.16 0.00 1.61 3.02 -1.26 -5.05 115.26 117.74 1vds n ASN 103 Ca 0.00 -2.16 0.00 0.00 -0.03 0.00 0.00 54.58 52.39 1vds n ASN 103 Cb 0.00 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 1vds n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vds n GLY 104 N 1.38 2.02 0.00 7.41 0.00 -1.23 -2.45 105.19 112.31 1vds n GLY 104 Ca 0.24 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.94 1vds n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1vds n MET 105 N 7.91 0.61 0.14 1.61 2.81 -1.26 -3.07 117.12 125.87 1vds n MET 105 Ca 0.00 0.02 0.11 0.00 -1.81 0.00 0.00 57.70 56.02 1vds n MET 105 Cb 0.00 -1.50 0.53 0.00 -0.71 0.00 0.00 33.22 31.54 1vds n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1vds n ASN 106 N -1.15 0.56 0.32 7.83 4.13 -1.03 -1.47 115.26 124.46 1vds n ASN 106 Ca 0.16 0.72 0.20 0.00 1.68 0.00 0.00 54.58 57.34 1vds n ASN 106 Cb 0.15 -0.81 1.06 0.00 -1.54 0.00 0.00 39.78 38.65 1vds n ASN 106 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vds h ALA 107 N 2.09 1.22 -2.90 5.41 0.00 -1.71 -3.38 119.26 119.99 1vds h ALA 107 Ca 0.00 -0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 1vds h ALA 107 Cb 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.67 1vds h ALA 107 CO 0.00 -0.11 -0.56 -1.58 0.00 0.00 0.00 179.25 177.00 1vds s TRP 108 N -4.24 3.20 0.28 0.00 0.51 -0.54 -4.98 118.94 113.18 1vds s TRP 108 Ca -0.05 -0.87 -0.03 0.00 -2.12 0.00 0.00 56.10 53.03 1vds s TRP 108 Cb 0.12 -2.36 0.37 0.00 -0.81 0.00 0.00 33.47 30.80 1vds s TRP 108 CO 0.41 -0.57 1.93 0.28 -0.51 0.00 0.00 176.95 178.49 1vds h VAL 109 N 5.82 1.23 -0.06 4.03 2.07 -1.85 -1.70 116.25 125.78 1vds h VAL 109 Ca -0.29 -0.48 -0.12 0.00 0.82 0.00 0.00 66.70 66.64 1vds h VAL 109 Cb 1.12 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1vds h VAL 109 CO 0.63 0.23 -0.50 0.00 0.02 0.00 0.00 177.57 177.95 1vds h ALA 110 N 1.42 1.05 -0.30 1.67 0.00 -1.93 -0.47 119.26 120.70 1vds h ALA 110 Ca 0.31 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1vds h ALA 110 Cb -0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1vds h ALA 110 CO -0.06 0.65 0.12 2.35 0.00 0.00 0.00 179.25 182.31 1vds h TRP 111 N 0.13 0.46 -0.53 0.00 7.01 -1.64 0.91 115.95 122.28 1vds h TRP 111 Ca 0.00 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.95 1vds h TRP 111 Cb 0.93 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.83 1vds h TRP 111 CO 0.01 0.44 0.26 -0.09 -2.79 0.00 0.00 178.44 176.28 1vds h ARG 112 N 0.34 0.76 0.00 2.65 2.43 -1.11 0.18 114.38 119.62 1vds h ARG 112 Ca 0.10 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1vds h ARG 112 Cb 0.18 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1vds h ARG 112 CO -0.01 0.62 -0.73 -0.91 -1.51 0.00 0.00 179.97 177.43 1vds h ASN 113 N 0.71 0.00 0.00 -3.80 2.35 -0.93 -3.37 115.58 110.54 1vds h ASN 113 Ca 0.18 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1vds h ASN 113 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1vds h ASN 113 CO -0.02 0.08 -0.21 0.54 -1.65 0.00 0.00 177.43 176.17 1vds n ARG 114 N -2.28 3.21 -0.04 0.81 1.74 0.30 -4.90 116.66 115.50 1vds n ARG 114 Ca 0.02 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.04 1vds n ARG 114 Cb 0.47 -0.46 -0.03 0.00 -1.02 0.00 0.00 32.46 31.42 1vds n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vds n LYS 116 N -2.94 1.30 -1.05 0.00 4.81 0.46 -1.48 118.16 119.27 1vds n LYS 116 Ca -0.14 0.47 -0.02 0.00 -0.87 0.00 0.00 58.31 57.75 1vds n LYS 116 Cb 0.63 -2.15 -0.01 0.00 0.02 0.00 0.00 35.03 33.52 1vds n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1vds n GLY 117 N 3.23 0.49 3.87 3.14 0.00 -1.26 -4.96 105.19 109.69 1vds n GLY 117 Ca 0.21 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1vds n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vds s THR 118 N -1.86 2.33 -1.22 2.61 -4.23 -0.55 -5.00 115.64 107.72 1vds s THR 118 Ca 0.00 -1.43 -0.19 0.00 -1.18 0.00 0.00 61.69 58.89 1vds s THR 118 Cb 0.00 -2.76 -0.01 0.00 1.34 0.00 0.00 72.50 71.07 1vds s THR 118 CO 0.00 0.00 1.90 -0.67 -0.54 0.00 0.00 174.62 175.31 1vds n ASP 119 N -1.57 3.90 0.09 3.99 4.64 -1.26 -4.75 116.55 121.59 1vds n ASP 119 Ca 0.02 -2.81 0.10 0.00 -1.38 0.00 0.00 54.79 50.72 1vds n ASP 119 Cb 0.63 -1.65 0.43 0.00 -1.04 0.00 0.00 41.12 39.49 1vds n ASP 119 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 1vds n VAL 120 N 6.53 0.95 0.09 5.18 0.24 -1.26 -2.22 118.33 127.84 1vds n VAL 120 Ca 0.48 0.30 0.05 0.00 -2.04 0.00 0.00 64.34 63.13 1vds n VAL 120 Cb 0.44 -1.20 0.48 0.00 -1.47 0.00 0.00 33.84 32.10 1vds n VAL 120 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1vds h GLN 121 N 0.00 0.35 -0.58 7.34 7.50 -1.88 -1.63 115.11 126.20 1vds h GLN 121 Ca 0.00 -0.03 0.17 0.00 0.50 0.00 0.00 58.65 59.29 1vds h GLN 121 Cb 0.28 -0.07 -0.02 0.00 0.05 0.00 0.00 27.48 27.71 1vds h GLN 121 CO 0.00 0.26 0.42 0.00 -1.50 0.00 0.00 178.83 178.01 1vds h ALA 122 N 1.80 2.54 0.00 3.87 0.00 -1.85 -1.77 119.26 123.85 1vds h ALA 122 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1vds h ALA 122 Cb 0.01 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1vds h ALA 122 CO -0.02 -0.71 0.00 -1.49 0.00 0.00 0.00 179.25 177.04 1vds h TRP 123 N 0.01 0.00 -0.04 0.00 4.06 -1.51 -2.89 115.95 115.57 1vds h TRP 123 Ca 0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.23 1vds h TRP 123 Cb 1.10 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.26 1vds h TRP 123 CO -0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1vds n ILE 124 N -2.84 0.16 -1.94 1.49 -5.35 -0.69 -4.82 119.36 105.38 1vds n ILE 124 Ca 0.01 -0.58 -0.40 0.00 -0.27 0.00 0.00 62.75 61.50 1vds n ILE 124 Cb 0.25 1.05 -0.00 0.00 -1.74 0.00 0.00 39.64 39.20 1vds n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1vds s ARG 125 N -0.68 4.04 0.00 6.28 0.52 -1.08 -2.27 118.95 125.77 1vds s ARG 125 Ca 0.10 2.35 0.00 0.00 -0.52 0.00 0.00 55.73 57.66 1vds s ARG 125 Cb 0.07 -2.87 0.00 0.00 0.52 0.00 0.00 34.95 32.66 1vds s ARG 125 CO 0.10 -0.50 0.00 0.41 0.02 0.00 0.00 175.30 175.32 1vds n GLY 126 N 0.61 1.81 3.76 -3.53 0.00 -1.26 -5.02 105.19 101.56 1vds n GLY 126 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1vds n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vds s ARG 128 N -0.36 3.18 0.00 0.00 3.52 -1.26 -5.13 118.95 118.90 1vds s ARG 128 Ca 0.34 -0.36 0.12 0.00 -0.13 0.00 0.00 55.73 55.70 1vds s ARG 128 Cb -0.20 -4.57 0.10 0.00 -1.56 0.00 0.00 34.95 28.72 1vds s ARG 128 CO 0.20 -2.32 0.89 1.28 -0.81 0.00 0.00 175.30 174.55