#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vjg s LYS 6 N 0.00 3.89 0.05 -1.46 1.02 -1.26 -5.01 119.74 116.96 1vjg s LYS 6 Ca 0.00 0.52 -0.31 0.00 0.02 0.00 0.00 55.97 56.21 1vjg s LYS 6 Cb 0.00 -2.47 -0.06 0.00 -0.52 0.00 0.00 37.83 34.79 1vjg s LYS 6 CO 0.00 0.14 1.30 0.99 -0.92 0.00 0.00 175.35 176.85 1vjg s THR 7 N -2.06 3.80 -0.01 2.17 2.01 -1.26 -4.73 115.64 115.55 1vjg s THR 7 Ca 0.52 1.25 -0.23 0.00 0.31 0.00 0.00 61.69 63.54 1vjg s THR 7 Cb -0.10 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 1vjg s THR 7 CO 0.22 0.06 0.70 -1.10 -0.69 0.00 0.00 174.62 173.82 1vjg s GLN 8 N 1.53 4.43 -0.05 4.92 -0.21 -1.26 -1.25 119.66 127.76 1vjg s GLN 8 Ca 0.61 0.92 0.02 0.00 0.02 0.00 0.00 55.36 56.93 1vjg s GLN 8 Cb -0.31 -3.39 0.01 0.00 1.00 0.00 0.00 33.01 30.31 1vjg s GLN 8 CO 0.28 0.21 -0.12 0.42 -2.12 0.00 0.00 175.29 173.96 1vjg s ILE 9 N 0.28 1.06 -0.20 1.08 1.01 -0.84 -4.17 121.20 119.42 1vjg s ILE 9 Ca 0.37 -0.46 -0.07 0.00 0.00 0.00 0.00 60.65 60.49 1vjg s ILE 9 Cb -0.19 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 1vjg s ILE 9 CO 0.20 0.33 0.05 -0.13 0.00 0.00 0.00 174.94 175.39 1vjg s ARG 10 N 0.54 3.83 -0.12 2.79 0.52 -0.13 -0.53 118.95 125.85 1vjg s ARG 10 Ca -0.11 -0.41 0.01 0.00 -0.52 0.00 0.00 55.73 54.70 1vjg s ARG 10 Cb -0.14 -3.21 0.02 0.00 0.52 0.00 0.00 34.95 32.14 1vjg s ARG 10 CO 0.03 0.12 -0.15 0.42 0.02 0.00 0.00 175.30 175.74 1vjg s ILE 11 N 0.76 1.54 -0.19 1.52 1.01 -0.50 -1.31 121.20 124.03 1vjg s ILE 11 Ca 0.03 -0.65 -0.09 0.00 0.00 0.00 0.00 60.65 59.93 1vjg s ILE 11 Cb -0.14 -1.41 -0.05 0.00 0.01 0.00 0.00 42.46 40.88 1vjg s ILE 11 CO 0.02 0.45 0.12 0.00 0.00 0.00 0.00 174.94 175.53 1vjg s PHE 13 N 0.25 3.08 -0.12 0.00 0.08 -0.62 -1.18 117.98 119.48 1vjg s PHE 13 Ca 0.08 -0.92 0.02 0.00 0.12 0.00 0.00 56.93 56.22 1vjg s PHE 13 Cb -0.11 -2.20 -0.01 0.00 -0.57 0.00 0.00 43.02 40.13 1vjg s PHE 13 CO -0.01 -0.54 -0.18 0.08 -0.10 0.00 0.00 175.22 174.47 1vjg s VAL 14 N 1.50 2.64 -1.76 -0.44 1.01 0.42 -0.12 120.40 123.65 1vjg s VAL 14 Ca 0.04 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1vjg s VAL 14 Cb -0.16 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1vjg s VAL 14 CO 0.01 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1vjg n GLY 15 N 3.53 -0.68 0.00 4.51 0.00 -1.24 -1.29 105.19 110.01 1vjg n GLY 15 Ca -0.18 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1vjg n GLY 15 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vjg n ASP 16 N 0.00 0.20 0.20 1.61 5.68 -1.23 -1.71 116.55 121.30 1vjg n ASP 16 Ca 0.00 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.34 1vjg n ASP 16 Cb 0.00 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 40.40 1vjg n ASP 16 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1vjg h SER 17 N 0.00 0.00 0.13 -1.12 4.64 -1.90 -1.31 113.55 114.00 1vjg h SER 17 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1vjg h SER 17 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1vjg h SER 17 CO 0.00 0.32 -0.35 -0.26 -0.87 0.00 0.00 176.83 175.67 1vjg h PHE 18 N 0.00 0.37 -0.38 4.77 0.04 -1.93 0.00 116.94 119.81 1vjg h PHE 18 Ca -0.00 -0.09 -0.13 0.00 2.80 0.00 0.00 57.97 60.55 1vjg h PHE 18 Cb 0.61 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 1vjg h PHE 18 CO 0.00 0.63 -0.26 0.28 -0.60 0.00 0.00 178.31 178.37 1vjg h VAL 19 N 0.27 1.28 0.00 -0.55 2.07 -1.71 -2.94 116.25 114.67 1vjg h VAL 19 Ca 0.03 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1vjg h VAL 19 Cb 0.75 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1vjg h VAL 19 CO 0.06 0.47 -0.09 -1.13 0.02 0.00 0.00 177.57 176.90 1vjg h ASN 20 N 0.65 0.00 0.00 0.57 -1.24 -0.95 -3.43 115.58 111.18 1vjg h ASN 20 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 1vjg h ASN 20 Cb 0.83 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.88 1vjg h ASN 20 CO 0.07 0.09 0.00 0.61 -1.29 0.00 0.00 177.43 176.91 1vjg n GLY 21 N -1.04 0.55 3.66 1.57 0.00 -0.05 -4.66 105.19 105.22 1vjg n GLY 21 Ca -0.02 -0.84 -0.45 0.00 0.00 0.00 0.00 46.02 44.71 1vjg n GLY 21 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1vjg n THR 22 N -3.21 1.08 0.00 2.61 -1.04 -0.99 -1.66 114.28 111.06 1vjg n THR 22 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1vjg n THR 22 Cb 0.22 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 1vjg n THR 22 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1vjg n GLY 23 N 1.98 3.30 3.65 3.41 0.00 -1.26 -4.55 105.19 111.72 1vjg n GLY 23 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1vjg n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vjg s ASP 24 N -0.76 6.97 0.40 1.61 2.15 -0.67 -4.35 116.67 122.02 1vjg s ASP 24 Ca 0.00 1.18 0.28 0.00 0.43 0.00 0.00 52.55 54.44 1vjg s ASP 24 Cb 0.00 -2.54 1.13 0.00 -0.30 0.00 0.00 42.92 41.21 1vjg s ASP 24 CO 0.00 -0.82 1.84 1.55 -0.17 0.00 0.00 175.17 177.57 1vjg h PRO 25 N 7.94 0.00 -0.01 4.34 0.13 -1.92 -2.62 132.00 139.87 1vjg h PRO 25 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1vjg h PRO 25 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1vjg h PRO 25 CO 1.01 0.00 -0.13 0.39 -0.23 0.00 0.00 178.00 179.04 1vjg n GLU 26 N -2.66 1.02 -2.19 0.86 1.02 -1.26 -4.95 120.64 112.47 1vjg n GLU 26 Ca 0.02 -0.51 -0.18 0.00 -0.02 0.00 0.00 57.16 56.46 1vjg n GLU 26 Cb 0.28 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 1vjg n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vjg n LEU 28 N -2.50 0.64 0.00 0.00 4.77 -1.26 -4.99 117.00 113.66 1vjg n LEU 28 Ca -0.21 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1vjg n LEU 28 Cb 0.65 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 1vjg n LEU 28 CO 0.25 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1vjg n GLY 29 N 2.39 0.90 0.06 -0.72 0.00 -1.26 -0.81 105.19 105.75 1vjg n GLY 29 Ca -0.21 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 44.94 1vjg n GLY 29 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1vjg h TRP 30 N 0.00 0.01 -0.40 1.61 5.08 -1.82 -3.27 115.95 117.16 1vjg h TRP 30 Ca 0.00 -0.01 -0.08 0.00 1.08 0.00 0.00 58.89 59.88 1vjg h TRP 30 Cb 0.00 -0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.15 1vjg h TRP 30 CO 0.00 1.01 -0.05 1.79 -1.28 0.00 0.00 178.44 179.91 1vjg h THR 31 N 0.00 1.27 -0.35 0.12 1.35 -1.84 -1.57 112.91 111.89 1vjg h THR 31 Ca -0.02 -1.11 -0.01 0.00 -0.55 0.00 0.00 66.41 64.72 1vjg h THR 31 Cb 1.78 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 69.36 1vjg h THR 31 CO 0.13 0.37 0.19 1.23 -0.25 0.00 0.00 175.52 177.19 1vjg h GLY 32 N 0.56 0.52 1.04 5.82 0.00 -1.11 -2.28 103.07 107.62 1vjg h GLY 32 Ca 0.11 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 1vjg h GLY 32 CO 0.03 0.23 0.24 3.21 0.00 0.00 0.00 176.54 180.25 1vjg h ARG 33 N 0.43 1.09 0.00 4.80 3.08 -1.57 -0.81 114.38 121.41 1vjg h ARG 33 Ca 0.12 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 1vjg h ARG 33 Cb 0.07 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1vjg h ARG 33 CO -0.02 0.93 -0.28 -0.39 -1.07 0.00 0.00 179.97 179.14 1vjg h VAL 34 N 1.04 0.91 -0.11 2.04 -1.51 -1.20 -2.02 116.25 115.39 1vjg h VAL 34 Ca 0.23 -1.09 -0.22 0.00 -1.23 0.00 0.00 66.70 64.39 1vjg h VAL 34 Cb 0.28 1.64 0.01 0.00 -2.13 0.00 0.00 31.29 31.09 1vjg h VAL 34 CO -0.01 0.28 -0.81 0.00 -1.23 0.00 0.00 177.57 175.79 1vjg h VAL 36 N 0.46 1.01 -0.61 0.00 2.07 -0.99 -1.17 116.25 117.02 1vjg h VAL 36 Ca -0.06 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1vjg h VAL 36 Cb 1.44 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1vjg h VAL 36 CO 0.16 0.13 0.40 -1.13 0.02 0.00 0.00 177.57 177.15 1vjg h ASN 37 N 0.72 0.68 -0.31 0.57 -0.73 -1.24 -2.43 115.58 112.84 1vjg h ASN 37 Ca 0.29 -0.01 -0.11 0.00 1.87 0.00 0.00 56.30 58.34 1vjg h ASN 37 Cb 0.13 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.54 1vjg h ASN 37 CO -0.16 0.49 -0.19 0.00 -0.37 0.00 0.00 177.43 177.20 1vjg h ALA 38 N 1.23 0.91 -0.92 1.57 0.00 -0.76 -2.02 119.26 119.28 1vjg h ALA 38 Ca 0.23 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.87 1vjg h ALA 38 Cb -0.07 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.50 1vjg h ALA 38 CO -0.06 0.62 0.59 -0.91 0.00 0.00 0.00 179.25 179.49 1vjg h ASN 39 N 0.69 0.85 1.34 0.00 2.35 -1.12 -2.28 115.58 117.40 1vjg h ASN 39 Ca 0.10 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1vjg h ASN 39 Cb 0.69 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 1vjg h ASN 39 CO 0.05 0.50 -0.00 0.11 -1.65 0.00 0.00 177.43 176.44 1vjg h LYS 40 N 0.94 0.00 -0.09 0.81 1.57 -0.87 -2.59 116.57 116.34 1vjg h LYS 40 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1vjg h LYS 40 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1vjg h LYS 40 CO -0.18 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.33 1vjg n LYS 41 N -3.10 1.24 -0.37 3.15 5.02 -0.87 -4.92 118.16 118.31 1vjg n LYS 41 Ca 0.02 -0.37 0.00 0.00 -2.02 0.00 0.00 58.31 55.93 1vjg n LYS 41 Cb 0.38 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 1vjg n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vjg n GLY 42 N 0.74 0.80 3.91 0.72 0.00 -0.97 -5.07 105.19 105.31 1vjg n GLY 42 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1vjg n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vjg s TYR 43 N -2.09 3.52 -0.39 1.61 2.02 -1.12 -4.01 117.35 116.88 1vjg s TYR 43 Ca 0.00 0.77 -0.02 0.00 -0.37 0.00 0.00 57.07 57.45 1vjg s TYR 43 Cb 0.00 -2.34 0.11 0.00 -0.40 0.00 0.00 41.96 39.33 1vjg s TYR 43 CO 0.00 -0.33 0.17 0.34 -1.57 0.00 0.00 175.55 174.16 1vjg s ASP 44 N -4.13 5.17 -0.15 2.29 -1.08 -0.38 -4.14 116.67 114.24 1vjg s ASP 44 Ca 0.48 -2.04 -0.16 0.00 -0.52 0.00 0.00 52.55 50.31 1vjg s ASP 44 Cb -0.10 -1.79 -0.04 0.00 -1.46 0.00 0.00 42.92 39.52 1vjg s ASP 44 CO 0.45 -0.51 0.40 -0.69 0.52 0.00 0.00 175.17 175.34 1vjg s VAL 45 N 1.10 5.23 -0.34 1.11 1.01 -1.26 -1.98 120.40 125.28 1vjg s VAL 45 Ca 0.08 0.77 -0.17 0.00 0.00 0.00 0.00 61.98 62.67 1vjg s VAL 45 Cb -0.22 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1vjg s VAL 45 CO -0.05 0.33 0.44 -0.89 0.00 0.00 0.00 175.10 174.94 1vjg s THR 46 N 0.73 5.09 -0.42 3.92 2.01 0.30 -4.97 115.64 122.31 1vjg s THR 46 Ca 0.21 0.27 -0.17 0.00 0.31 0.00 0.00 61.69 62.32 1vjg s THR 46 Cb -0.14 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.51 1vjg s THR 46 CO 0.08 -0.12 0.42 -0.47 -0.69 0.00 0.00 174.62 173.83 1vjg s TYR 47 N 2.22 3.18 -0.32 4.92 5.04 -1.26 -1.41 117.35 129.72 1vjg s TYR 47 Ca 0.16 -0.38 -0.05 0.00 -2.44 0.00 0.00 57.07 54.35 1vjg s TYR 47 Cb -0.16 -2.85 0.04 0.00 0.35 0.00 0.00 41.96 39.33 1vjg s TYR 47 CO 0.12 -0.68 0.07 0.71 -1.34 0.00 0.00 175.55 174.43 1vjg s TYR 48 N 2.08 3.22 -0.33 4.97 2.02 -0.47 -5.01 117.35 123.83 1vjg s TYR 48 Ca 0.11 -1.44 -0.15 0.00 -0.37 0.00 0.00 57.07 55.22 1vjg s TYR 48 Cb -0.17 -2.22 -0.02 0.00 -0.40 0.00 0.00 41.96 39.15 1vjg s TYR 48 CO 0.13 -0.72 0.38 1.21 -1.57 0.00 0.00 175.55 174.99 1vjg s ASN 49 N 1.39 6.21 -0.33 2.29 3.84 -1.26 -1.59 114.94 125.48 1vjg s ASN 49 Ca -0.02 -0.12 0.07 0.00 0.21 0.00 0.00 52.86 53.01 1vjg s ASN 49 Cb -0.19 -2.21 0.50 0.00 -0.55 0.00 0.00 41.25 38.80 1vjg s ASN 49 CO 0.02 -0.33 1.49 0.18 -2.79 0.00 0.00 177.10 175.67 1vjg n LEU 50 N 5.42 4.67 -4.75 3.21 4.77 0.83 -4.94 117.00 126.20 1vjg n LEU 50 Ca -0.08 -3.99 -0.40 0.00 -0.03 0.00 0.00 56.01 51.50 1vjg n LEU 50 Cb 0.50 -0.63 -0.05 0.00 -2.33 0.00 0.00 43.42 40.91 1vjg n LEU 50 CO 0.40 1.42 0.74 -0.83 -1.33 0.00 0.00 177.39 177.80 1vjg s GLY 51 N -2.61 3.06 -0.07 -0.72 0.00 -1.22 -3.59 107.32 102.16 1vjg s GLY 51 Ca 0.48 0.79 0.01 0.00 0.00 0.00 0.00 44.72 46.01 1vjg s GLY 51 CO 0.00 1.41 -0.09 -0.42 0.00 0.00 0.00 173.10 174.00 1vjg s ILE 52 N -1.06 0.98 0.19 0.90 1.01 -0.70 -4.62 121.20 117.90 1vjg s ILE 52 Ca 0.44 -0.35 -0.32 0.00 0.00 0.00 0.00 60.65 60.41 1vjg s ILE 52 Cb -0.30 -0.94 -0.15 0.00 0.01 0.00 0.00 42.46 41.09 1vjg s ILE 52 CO 0.37 0.33 1.27 0.54 0.00 0.00 0.00 174.94 177.46 1vjg n ARG 53 N 4.16 1.50 -0.95 2.79 1.74 -1.26 -2.31 116.66 122.33 1vjg n ARG 53 Ca -0.20 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1vjg n ARG 53 Cb 0.51 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 1vjg n ARG 53 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1vjg n ARG 54 N 1.96 -0.02 -2.08 5.56 1.74 -1.26 -4.87 116.66 117.68 1vjg n ARG 54 Ca 0.14 0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.81 1vjg n ARG 54 Cb 0.27 -2.77 -0.02 0.00 -1.02 0.00 0.00 32.46 28.91 1vjg n ARG 54 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1vjg s ASP 55 N -2.79 6.73 0.63 0.55 1.11 -0.98 -4.92 116.67 117.00 1vjg s ASP 55 Ca 0.00 2.60 0.07 0.00 0.18 0.00 0.00 52.55 55.40 1vjg s ASP 55 Cb 0.00 -2.62 0.11 0.00 1.07 0.00 0.00 42.92 41.47 1vjg s ASP 55 CO 0.00 -0.64 0.87 0.42 1.18 0.00 0.00 175.17 177.00 1vjg s THR 56 N -0.12 2.08 0.40 -1.27 -4.23 -1.26 -4.49 115.64 106.76 1vjg s THR 56 Ca 0.57 -0.89 0.10 0.00 -1.18 0.00 0.00 61.69 60.29 1vjg s THR 56 Cb -0.40 -2.20 0.18 0.00 1.34 0.00 0.00 72.50 71.43 1vjg s THR 56 CO 0.43 0.00 1.96 0.77 -0.54 0.00 0.00 174.62 177.24 1vjg h SER 57 N -0.06 0.24 -0.31 3.99 4.64 -1.95 -1.77 113.55 118.33 1vjg h SER 57 Ca -0.31 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 60.92 1vjg h SER 57 Cb 1.28 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1vjg h SER 57 CO 0.40 0.34 -0.02 -1.28 -0.87 0.00 0.00 176.83 175.40 1vjg h SER 58 N 0.25 0.55 -0.56 4.97 0.87 -1.95 -0.78 113.55 116.90 1vjg h SER 58 Ca 0.06 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 1vjg h SER 58 Cb 0.28 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1vjg h SER 58 CO 0.01 0.74 0.31 0.44 -0.53 0.00 0.00 176.83 177.81 1vjg h ASP 59 N 0.34 0.69 -0.50 6.23 3.32 -1.87 -2.71 116.42 121.93 1vjg h ASP 59 Ca 0.08 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1vjg h ASP 59 Cb 0.47 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1vjg h ASP 59 CO 0.02 0.58 -0.14 0.40 -1.72 0.00 0.00 179.24 178.38 1vjg h ILE 60 N 0.75 1.27 -0.93 0.35 2.04 -1.32 -2.79 117.51 116.88 1vjg h ILE 60 Ca 0.20 -1.29 0.12 0.00 1.00 0.00 0.00 64.86 64.89 1vjg h ILE 60 Cb 0.03 1.07 -0.08 0.00 -0.74 0.00 0.00 36.82 37.10 1vjg h ILE 60 CO -0.03 0.45 0.56 0.00 0.00 0.00 0.00 178.15 179.12 1vjg h ALA 61 N 0.89 1.38 -0.02 1.87 0.00 -1.04 -1.36 119.26 120.98 1vjg h ALA 61 Ca 0.12 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1vjg h ALA 61 Cb 0.70 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1vjg h ALA 61 CO 0.05 0.15 -0.57 0.87 0.00 0.00 0.00 179.25 179.75 1vjg h LYS 62 N 0.88 0.05 0.00 0.00 1.57 -1.23 -3.39 116.57 114.46 1vjg h LYS 62 Ca 0.46 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.19 1vjg h LYS 62 Cb 0.47 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1vjg h LYS 62 CO -0.27 0.60 -1.46 2.89 -0.57 0.00 0.00 179.45 180.64 1vjg n ARG 63 N -3.87 0.54 -0.20 3.15 1.85 -0.95 -4.82 116.66 112.36 1vjg n ARG 63 Ca -0.01 -0.08 -0.08 0.00 -1.00 0.00 0.00 57.85 56.68 1vjg n ARG 63 Cb 0.58 -1.23 0.02 0.00 -1.05 0.00 0.00 32.46 30.78 1vjg n ARG 63 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 177.63 177.73 1vjg h TRP 64 N 0.00 0.92 -0.14 2.89 5.08 -1.46 -2.70 115.95 120.54 1vjg h TRP 64 Ca -0.03 -0.10 -0.02 0.00 1.08 0.00 0.00 58.89 59.83 1vjg h TRP 64 Cb 0.56 -0.26 -0.01 0.00 -3.00 0.00 0.00 29.16 26.45 1vjg h TRP 64 CO 0.00 0.78 0.03 1.25 -1.28 0.00 0.00 178.44 179.22 1vjg h LEU 65 N 0.80 0.22 -0.93 0.11 5.85 -1.86 0.10 115.31 119.60 1vjg h LEU 65 Ca 0.18 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 1vjg h LEU 65 Cb 0.30 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1vjg h LEU 65 CO -0.00 0.41 -0.05 -0.61 -0.34 0.00 0.00 178.44 177.85 1vjg h GLN 66 N 0.01 0.73 -0.02 1.25 5.75 -1.88 -0.20 115.11 120.76 1vjg h GLN 66 Ca 0.04 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.32 1vjg h GLN 66 Cb 0.28 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.76 1vjg h GLN 66 CO 0.00 0.78 -0.03 0.93 -2.65 0.00 0.00 178.83 177.87 1vjg h GLU 67 N 0.68 0.05 -0.49 1.69 5.08 -1.28 -3.26 114.58 117.04 1vjg h GLU 67 Ca 0.13 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1vjg h GLU 67 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1vjg h GLU 67 CO 0.03 0.58 0.02 0.28 -1.00 0.00 0.00 179.01 178.92 1vjg h VAL 68 N -0.48 1.24 0.00 3.13 2.07 -0.78 -2.90 116.25 118.53 1vjg h VAL 68 Ca 0.00 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1vjg h VAL 68 Cb 0.57 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1vjg h VAL 68 CO 0.01 0.35 -0.02 0.77 0.02 0.00 0.00 177.57 178.69 1vjg h SER 69 N 0.75 0.00 1.16 0.57 4.64 -1.08 -0.21 113.55 119.38 1vjg h SER 69 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1vjg h SER 69 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1vjg h SER 69 CO 0.02 0.02 -0.14 0.18 -0.87 0.00 0.00 176.83 176.04 1vjg n LEU 70 N -3.84 0.54 -0.07 5.97 4.77 -1.09 -4.30 117.00 118.97 1vjg n LEU 70 Ca -0.03 0.45 -0.09 0.00 -0.03 0.00 0.00 56.01 56.31 1vjg n LEU 70 Cb 0.11 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 1vjg n LEU 70 CO 0.28 -0.08 -0.93 0.54 -1.33 0.00 0.00 177.39 175.87 1vjg n ARG 71 N -1.96 0.40 -4.12 3.23 1.74 -0.20 -5.02 116.66 110.74 1vjg n ARG 71 Ca 0.06 0.07 -0.31 0.00 -0.77 0.00 0.00 57.85 56.90 1vjg n ARG 71 Cb 0.40 -1.26 -0.07 0.00 -1.02 0.00 0.00 32.46 30.50 1vjg n ARG 71 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1vjg s LEU 72 N -5.73 3.72 -0.06 0.55 1.43 -0.54 -5.02 118.68 113.03 1vjg s LEU 72 Ca -0.17 0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 1vjg s LEU 72 Cb 0.04 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.98 1vjg s LEU 72 CO 0.31 0.21 0.27 -1.00 0.23 0.00 0.00 176.35 176.37 1vjg s HIS 73 N -1.28 -0.22 -0.42 0.29 3.76 -1.26 -4.75 115.29 111.40 1vjg s HIS 73 Ca 0.26 0.49 0.19 0.00 -0.15 0.00 0.00 55.06 55.84 1vjg s HIS 73 Cb -0.12 0.08 0.93 0.00 1.11 0.00 0.00 32.58 34.59 1vjg s HIS 73 CO 0.18 -0.24 1.57 0.36 -0.85 0.00 0.00 174.74 175.76 1vjg n LYS 74 N 2.23 0.13 0.00 1.40 2.85 -1.26 -2.14 118.16 121.36 1vjg n LYS 74 Ca -0.17 0.54 0.14 0.00 -1.05 0.00 0.00 58.31 57.77 1vjg n LYS 74 Cb 0.57 -1.85 0.52 0.00 -0.65 0.00 0.00 35.03 33.62 1vjg n LYS 74 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1vjg n GLU 75 N -2.11 0.44 -4.27 -1.58 1.02 -1.26 -4.83 120.64 108.06 1vjg n GLU 75 Ca -0.00 -0.17 -0.19 0.00 -0.02 0.00 0.00 57.16 56.78 1vjg n GLU 75 Cb 0.09 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.90 1vjg n GLU 75 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1vjg s TYR 76 N -2.67 1.54 0.19 -0.32 2.02 -0.91 -5.11 117.35 112.09 1vjg s TYR 76 Ca 0.22 -0.53 -0.31 0.00 -0.37 0.00 0.00 57.07 56.08 1vjg s TYR 76 Cb 0.19 -0.79 -0.10 0.00 -0.40 0.00 0.00 41.96 40.86 1vjg s TYR 76 CO 0.53 0.20 1.54 -0.80 -1.57 0.00 0.00 175.55 175.46 1vjg s ASN 77 N -2.52 6.58 0.03 2.29 0.01 -1.26 -4.69 114.94 115.39 1vjg s ASN 77 Ca 0.11 2.66 0.02 0.00 -0.71 0.00 0.00 52.86 54.94 1vjg s ASN 77 Cb -0.05 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 38.99 1vjg s ASN 77 CO 0.04 -0.80 -0.07 -0.44 -1.51 0.00 0.00 177.10 174.32 1vjg s SER 78 N 0.91 0.76 -0.10 -1.22 0.01 -1.26 -0.96 113.70 111.84 1vjg s SER 78 Ca 0.67 -0.46 -0.08 0.00 1.31 0.00 0.00 55.95 57.39 1vjg s SER 78 Cb -0.44 0.02 0.03 0.00 0.21 0.00 0.00 66.02 65.84 1vjg s SER 78 CO 0.35 -0.16 0.26 -0.22 0.41 0.00 0.00 173.24 173.89 1vjg s LEU 79 N -1.29 0.86 -0.10 2.44 2.96 -0.43 -4.30 118.68 118.83 1vjg s LEU 79 Ca -0.08 0.54 0.02 0.00 -0.22 0.00 0.00 54.13 54.39 1vjg s LEU 79 Cb -0.08 0.88 -0.01 0.00 0.50 0.00 0.00 46.19 47.47 1vjg s LEU 79 CO 0.00 -0.11 -0.18 0.54 -1.32 0.00 0.00 176.35 175.28 1vjg s VAL 80 N 0.39 2.59 -0.16 1.68 0.11 -0.31 -1.55 120.40 123.14 1vjg s VAL 80 Ca -0.02 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 1vjg s VAL 80 Cb -0.04 -2.04 0.01 0.00 -1.53 0.00 0.00 36.38 32.78 1vjg s VAL 80 CO -0.02 0.55 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.45 1vjg s VAL 81 N 0.19 2.47 -0.05 2.04 1.01 -0.33 -1.95 120.40 123.78 1vjg s VAL 81 Ca -0.11 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 1vjg s VAL 81 Cb -0.16 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1vjg s VAL 81 CO 0.06 0.52 0.03 -0.36 0.00 0.00 0.00 175.10 175.35 1vjg s PHE 82 N 1.00 3.20 -0.20 5.22 0.08 -0.40 -0.43 117.98 126.45 1vjg s PHE 82 Ca -0.02 0.20 -0.05 0.00 0.12 0.00 0.00 56.93 57.18 1vjg s PHE 82 Cb -0.15 -1.77 0.10 0.00 -0.57 0.00 0.00 43.02 40.64 1vjg s PHE 82 CO -0.04 0.51 0.39 0.45 -0.10 0.00 0.00 175.22 176.42 1vjg s SER 83 N -1.21 -0.03 0.27 1.36 0.15 -0.42 -0.64 113.70 113.19 1vjg s SER 83 Ca 0.17 0.71 -0.21 0.00 0.70 0.00 0.00 55.95 57.32 1vjg s SER 83 Cb -0.12 1.20 0.04 0.00 -1.71 0.00 0.00 66.02 65.43 1vjg s SER 83 CO 0.06 -0.25 0.79 0.72 1.20 0.00 0.00 173.24 175.76 1vjg s PHE 84 N 2.57 -0.12 0.00 3.44 -0.12 -1.26 -3.58 117.98 118.92 1vjg s PHE 84 Ca 0.03 -0.35 0.00 0.00 -0.05 0.00 0.00 56.93 56.56 1vjg s PHE 84 Cb -0.13 0.72 0.00 0.00 -0.63 0.00 0.00 43.02 42.98 1vjg s PHE 84 CO -0.13 -1.21 0.00 0.41 -0.05 0.00 0.00 175.22 174.24 1vjg n GLY 85 N -0.48 1.26 0.27 1.99 0.00 -1.26 -4.23 105.19 102.74 1vjg n GLY 85 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 1vjg n GLY 85 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1vjg h LEU 86 N 0.00 0.53 -0.36 0.99 6.46 -1.95 -2.41 115.31 118.58 1vjg h LEU 86 Ca 0.00 0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.73 1vjg h LEU 86 Cb 0.00 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 1vjg h LEU 86 CO 0.00 0.33 -0.35 0.78 -0.62 0.00 0.00 178.44 178.59 1vjg h ASN 87 N 0.67 0.00 -0.91 1.25 4.21 -1.91 -3.03 115.58 115.85 1vjg h ASN 87 Ca 0.32 0.00 0.06 0.00 1.21 0.00 0.00 56.30 57.89 1vjg h ASN 87 Cb 0.25 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.40 1vjg h ASN 87 CO -0.21 0.35 0.59 0.44 -1.29 0.00 0.00 177.43 177.31 1vjg h ASP 88 N 0.00 0.93 1.77 5.81 5.19 -1.72 -3.07 116.42 125.33 1vjg h ASP 88 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1vjg h ASP 88 Cb 1.13 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.44 1vjg h ASP 88 CO 0.04 0.60 -0.12 0.74 -3.12 0.00 0.00 179.24 177.38 1vjg h THR 89 N 1.06 0.00 -2.43 0.35 2.02 -1.39 -2.42 112.91 110.10 1vjg h THR 89 Ca 0.39 -0.89 -0.56 0.00 0.77 0.00 0.00 66.41 66.11 1vjg h THR 89 Cb 0.17 1.83 0.06 0.00 -1.74 0.00 0.00 68.15 68.46 1vjg h THR 89 CO -0.14 0.00 0.86 0.41 0.37 0.00 0.00 175.52 177.01 1vjg n THR 90 N -2.88 0.07 -3.04 3.16 -1.04 -1.16 -4.70 114.28 104.68 1vjg n THR 90 Ca 0.04 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.63 1vjg n THR 90 Cb 0.51 -1.68 -0.05 0.00 -1.82 0.00 0.00 70.33 67.30 1vjg n THR 90 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1vjg s LEU 91 N 0.91 4.32 -0.11 -4.42 1.43 -1.26 -0.86 118.68 118.69 1vjg s LEU 91 Ca 0.77 1.20 0.01 0.00 -1.03 0.00 0.00 54.13 55.08 1vjg s LEU 91 Cb -0.62 -3.09 0.02 0.00 0.03 0.00 0.00 46.19 42.53 1vjg s LEU 91 CO 0.37 -0.11 -0.13 -1.61 0.23 0.00 0.00 176.35 175.10 1vjg s GLU 92 N 0.76 2.05 -1.51 1.70 2.02 -0.20 -4.68 118.70 118.84 1vjg s GLU 92 Ca 0.38 -0.49 -0.13 0.00 0.02 0.00 0.00 54.97 54.75 1vjg s GLU 92 Cb -0.18 -1.83 0.08 0.00 0.10 0.00 0.00 34.13 32.30 1vjg s GLU 92 CO 0.18 -0.13 1.02 0.09 0.02 0.00 0.00 175.26 176.44 1vjg n ASN 93 N 4.43 -5.06 0.00 -0.19 3.02 -1.26 -1.87 115.26 114.32 1vjg n ASN 93 Ca -0.18 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1vjg n ASN 93 Cb 0.51 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 35.63 1vjg n ASN 93 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vjg n GLY 94 N -1.74 0.33 3.13 7.41 0.00 -1.26 -4.99 105.19 108.07 1vjg n GLY 94 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1vjg n GLY 94 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vjg s LYS 95 N -0.83 1.29 0.38 1.61 -2.85 -0.78 -5.01 119.74 113.55 1vjg s LYS 95 Ca 0.00 -0.55 -0.27 0.00 -1.00 0.00 0.00 55.97 54.15 1vjg s LYS 95 Cb 0.00 -1.23 -0.11 0.00 -2.06 0.00 0.00 37.83 34.43 1vjg s LYS 95 CO 0.00 0.32 1.37 -2.30 0.10 0.00 0.00 175.35 174.84 1vjg n PRO 96 N 2.76 2.29 -0.20 1.78 -0.02 -1.26 -1.03 135.00 139.32 1vjg n PRO 96 Ca -0.15 0.81 0.06 0.00 -2.02 0.00 0.00 63.50 62.19 1vjg n PRO 96 Cb 0.54 -2.49 0.33 0.00 -0.02 0.00 0.00 33.50 31.86 1vjg n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vjg h ARG 97 N 2.55 0.80 -4.35 -0.52 3.08 -0.69 -3.40 114.38 111.85 1vjg h ARG 97 Ca -0.49 -0.05 -0.46 0.00 0.07 0.00 0.00 59.98 59.05 1vjg h ARG 97 Cb 1.27 -0.18 -0.33 0.00 0.08 0.00 0.00 29.97 30.81 1vjg h ARG 97 CO 0.62 0.53 -0.79 0.08 -1.07 0.00 0.00 179.97 179.33 1vjg s VAL 98 N -5.73 0.86 0.59 2.04 1.01 -0.94 -5.04 120.40 113.20 1vjg s VAL 98 Ca -0.10 -0.33 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 1vjg s VAL 98 Cb 0.19 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1vjg s VAL 98 CO 0.78 0.29 1.14 -0.94 0.00 0.00 0.00 175.10 176.37 1vjg s SER 99 N 0.69 5.37 0.43 3.32 1.04 -1.26 -4.61 113.70 118.68 1vjg s SER 99 Ca -0.12 2.18 0.12 0.00 0.48 0.00 0.00 55.95 58.61 1vjg s SER 99 Cb -0.14 -2.58 0.99 0.00 0.10 0.00 0.00 66.02 64.39 1vjg s SER 99 CO 0.02 -1.46 2.00 -0.29 0.98 0.00 0.00 173.24 174.49 1vjg h ILE 100 N 0.75 0.95 -0.48 -1.02 2.10 -1.97 -0.13 117.51 117.71 1vjg h ILE 100 Ca -0.49 -0.15 -0.10 0.00 1.08 0.00 0.00 64.86 65.19 1vjg h ILE 100 Cb 1.27 0.47 -0.02 0.00 -1.09 0.00 0.00 36.82 37.45 1vjg h ILE 100 CO 0.55 0.08 -0.12 0.00 -1.08 0.00 0.00 178.15 177.58 1vjg h ALA 101 N 1.71 0.88 -0.20 0.18 0.00 -2.00 -1.90 119.26 117.94 1vjg h ALA 101 Ca 0.24 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1vjg h ALA 101 Cb 0.39 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1vjg h ALA 101 CO -0.07 0.64 -0.19 1.49 0.00 0.00 0.00 179.25 181.12 1vjg h GLU 102 N 0.80 0.48 -0.57 0.00 4.81 -1.45 -2.21 114.58 116.44 1vjg h GLU 102 Ca 0.13 -0.25 0.12 0.00 -0.13 0.00 0.00 59.36 59.22 1vjg h GLU 102 Cb 0.64 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.93 1vjg h GLU 102 CO 0.04 0.82 -0.03 1.15 -0.73 0.00 0.00 179.01 180.27 1vjg h THR 103 N 0.16 0.51 -0.14 0.32 2.02 -0.96 0.53 112.91 115.34 1vjg h THR 103 Ca 0.03 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1vjg h THR 103 Cb 0.73 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1vjg h THR 103 CO 0.05 0.02 0.07 0.40 0.37 0.00 0.00 175.52 176.42 1vjg h ILE 104 N 0.09 1.12 -0.92 3.11 2.04 -1.32 -0.79 117.51 120.84 1vjg h ILE 104 Ca 0.29 -0.34 0.07 0.00 1.00 0.00 0.00 64.86 65.87 1vjg h ILE 104 Cb 0.46 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 1vjg h ILE 104 CO -0.51 0.11 0.59 0.50 0.00 0.00 0.00 178.15 178.85 1vjg h LYS 105 N 0.10 1.00 -0.37 2.37 3.64 -0.98 -0.52 116.57 121.80 1vjg h LYS 105 Ca 0.05 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 1vjg h LYS 105 Cb 0.11 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1vjg h LYS 105 CO -0.01 0.66 -0.01 -0.91 -2.27 0.00 0.00 179.45 176.91 1vjg h ASN 106 N 1.03 0.66 -0.19 4.20 2.35 -0.62 -2.07 115.58 120.93 1vjg h ASN 106 Ca 0.40 -0.32 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1vjg h ASN 106 Cb 0.22 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1vjg h ASN 106 CO -0.15 0.82 0.03 0.74 -1.65 0.00 0.00 177.43 177.21 1vjg h THR 107 N 0.49 1.23 -0.30 2.81 2.02 -0.82 0.86 112.91 119.20 1vjg h THR 107 Ca 0.10 -0.75 0.04 0.00 0.77 0.00 0.00 66.41 66.58 1vjg h THR 107 Cb 0.49 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.21 1vjg h THR 107 CO 0.02 0.23 0.04 0.03 0.37 0.00 0.00 175.52 176.22 1vjg h ARG 108 N 0.11 0.14 -0.68 6.66 3.08 -1.14 -0.82 114.38 121.74 1vjg h ARG 108 Ca 0.06 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1vjg h ARG 108 Cb 0.32 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1vjg h ARG 108 CO 0.00 0.09 0.33 1.49 -1.07 0.00 0.00 179.97 180.82 1vjg h GLU 109 N 0.15 0.98 0.07 0.04 4.57 -1.08 -0.34 114.58 118.96 1vjg h GLU 109 Ca 0.14 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1vjg h GLU 109 Cb 0.16 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1vjg h GLU 109 CO -0.20 0.77 -0.03 0.82 -1.18 0.00 0.00 179.01 179.19 1vjg h ILE 110 N 0.94 1.08 -0.24 2.32 2.04 -0.64 -2.92 117.51 120.09 1vjg h ILE 110 Ca 0.23 -0.51 -0.16 0.00 1.00 0.00 0.00 64.86 65.43 1vjg h ILE 110 Cb 0.11 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1vjg h ILE 110 CO -0.03 0.13 -0.50 -0.07 0.00 0.00 0.00 178.15 177.67 1vjg h LEU 111 N -0.32 0.72 -0.76 1.44 3.38 -1.11 -0.16 115.31 118.51 1vjg h LEU 111 Ca -0.01 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.64 1vjg h LEU 111 Cb 0.28 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1vjg h LEU 111 CO 0.02 1.10 0.46 0.74 0.09 0.00 0.00 178.44 180.85 1vjg h THR 112 N 0.52 1.05 0.19 0.22 2.02 -1.10 -0.38 112.91 115.43 1vjg h THR 112 Ca 0.02 -0.30 -0.31 0.00 0.77 0.00 0.00 66.41 66.59 1vjg h THR 112 Cb 1.05 0.10 0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1vjg h THR 112 CO 0.10 0.16 -1.37 1.56 0.37 0.00 0.00 175.52 176.34 1vjg h GLN 113 N 0.88 0.47 -0.64 6.66 1.08 -1.31 -3.24 115.11 119.00 1vjg h GLN 113 Ca 0.32 -0.76 -0.03 0.00 -1.45 0.00 0.00 58.65 56.73 1vjg h GLN 113 Cb 0.10 0.28 -0.03 0.00 -0.05 0.00 0.00 27.48 27.78 1vjg h GLN 113 CO -0.14 1.36 0.28 0.00 -0.95 0.00 0.00 178.83 179.38 1vjg h ALA 114 N 0.32 0.83 -0.91 3.87 0.00 -0.81 -2.74 119.26 119.82 1vjg h ALA 114 Ca -0.21 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 54.73 1vjg h ALA 114 Cb 2.07 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 19.53 1vjg h ALA 114 CO 0.25 0.42 0.59 -0.22 0.00 0.00 0.00 179.25 180.29 1vjg h LYS 115 N 0.89 0.55 0.00 0.00 3.64 -1.13 0.15 116.57 120.67 1vjg h LYS 115 Ca 0.22 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 1vjg h LYS 115 Cb 0.16 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1vjg h LYS 115 CO -0.02 0.37 -0.25 0.87 -2.27 0.00 0.00 179.45 178.14 1vjg h LYS 116 N 0.57 0.00 0.00 1.90 1.57 -1.51 -3.36 116.57 115.74 1vjg h LYS 116 Ca 0.48 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 59.03 1vjg h LYS 116 Cb 0.96 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.23 1vjg h LYS 116 CO -0.22 0.25 -1.88 1.28 -0.57 0.00 0.00 179.45 178.30 1vjg n LEU 117 N -3.60 2.35 -3.94 2.94 4.77 -0.28 -5.09 117.00 114.15 1vjg n LEU 117 Ca -0.01 -0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 55.81 1vjg n LEU 117 Cb 0.38 -0.37 -0.10 0.00 -2.33 0.00 0.00 43.42 41.00 1vjg n LEU 117 CO 0.34 0.67 -0.27 -0.31 -1.33 0.00 0.00 177.39 176.49 1vjg s TYR 118 N -2.31 0.20 0.27 -1.77 2.02 0.39 -4.95 117.35 111.20 1vjg s TYR 118 Ca -0.18 -0.46 -0.30 0.00 -0.37 0.00 0.00 57.07 55.76 1vjg s TYR 118 Cb 0.05 -0.15 -0.13 0.00 -0.40 0.00 0.00 41.96 41.33 1vjg s TYR 118 CO 0.39 -0.28 1.46 -2.30 -1.57 0.00 0.00 175.55 173.26 1vjg n PRO 119 N 1.20 2.30 -3.89 -1.71 -0.02 -1.26 -4.20 135.00 127.42 1vjg n PRO 119 Ca -0.21 0.82 -0.11 0.00 -2.02 0.00 0.00 63.50 61.97 1vjg n PRO 119 Cb 0.57 -2.51 -0.13 0.00 -0.02 0.00 0.00 33.50 31.40 1vjg n PRO 119 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1vjg s VAL 120 N -0.17 0.02 0.00 -1.45 0.11 -1.26 -1.17 120.40 116.48 1vjg s VAL 120 Ca 0.65 -0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.52 1vjg s VAL 120 Cb -0.58 -0.07 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 1vjg s VAL 120 CO 0.51 -0.10 0.00 0.18 -3.33 0.00 0.00 175.10 172.36 1vjg n LEU 121 N 2.77 0.00 -3.64 2.54 4.77 -0.82 -4.42 117.00 118.20 1vjg n LEU 121 Ca -0.14 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.76 1vjg n LEU 121 Cb 0.59 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.61 1vjg n LEU 121 CO 0.25 0.00 0.79 -0.63 -1.33 0.00 0.00 177.39 176.47 1vjg s ILE 123 N -1.38 0.00 0.87 -0.08 1.01 0.19 -1.28 121.20 120.53 1vjg s ILE 123 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.54 1vjg s ILE 123 Cb 0.00 -1.00 0.11 0.00 0.01 0.00 0.00 42.46 41.58 1vjg s ILE 123 CO 0.00 0.00 1.11 -0.94 0.00 0.00 0.00 174.94 175.11 1vjg s SER 124 N 0.29 3.55 0.94 3.58 1.04 -0.02 -4.08 113.70 119.00 1vjg s SER 124 Ca 0.03 1.86 -0.11 0.00 0.48 0.00 0.00 55.95 58.22 1vjg s SER 124 Cb -0.05 -2.46 0.16 0.00 0.10 0.00 0.00 66.02 63.77 1vjg s SER 124 CO -0.08 -2.65 1.12 -2.84 0.98 0.00 0.00 173.24 169.77 1vjg s PRO 125 N -4.80 0.81 0.34 4.02 0.02 -1.26 -4.74 135.00 129.40 1vjg s PRO 125 Ca 0.64 1.38 0.08 0.00 0.02 0.00 0.00 61.00 63.11 1vjg s PRO 125 Cb -0.20 -1.72 -0.04 0.00 0.02 0.00 0.00 34.50 32.57 1vjg s PRO 125 CO 0.57 -2.72 0.18 0.00 -0.33 0.00 0.00 177.00 174.71 1vjg s ALA 126 N -2.65 3.59 0.44 -1.55 0.00 -1.26 -4.07 121.76 116.26 1vjg s ALA 126 Ca 0.66 -1.78 -0.26 0.00 0.00 0.00 0.00 51.96 50.58 1vjg s ALA 126 Cb -0.22 -0.84 -0.09 0.00 0.00 0.00 0.00 23.12 21.97 1vjg s ALA 126 CO 0.59 0.02 1.41 -2.14 0.00 0.00 0.00 175.76 175.65 1vjg s PRO 127 N -3.89 3.77 -0.21 0.00 0.02 -1.26 -5.01 135.00 128.42 1vjg s PRO 127 Ca 0.39 2.39 -0.06 0.00 0.02 0.00 0.00 61.00 63.75 1vjg s PRO 127 Cb -0.03 -2.70 0.10 0.00 0.02 0.00 0.00 34.50 31.89 1vjg s PRO 127 CO 0.24 -0.74 0.40 -0.47 -0.33 0.00 0.00 177.00 176.10 1vjg s TYR 128 N -1.20 -0.80 -0.36 6.54 5.04 -1.26 -4.95 117.35 120.35 1vjg s TYR 128 Ca 0.60 1.32 -0.18 0.00 -2.44 0.00 0.00 57.07 56.36 1vjg s TYR 128 Cb -0.43 0.22 0.00 0.00 0.35 0.00 0.00 41.96 42.10 1vjg s TYR 128 CO 0.56 -0.55 0.52 0.42 -1.34 0.00 0.00 175.55 175.16 1vjg s ILE 129 N 2.59 5.00 -0.26 3.14 1.01 -1.26 -4.78 121.20 126.65 1vjg s ILE 129 Ca 0.03 0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.91 1vjg s ILE 129 Cb -0.13 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.36 1vjg s ILE 129 CO -0.14 -0.26 0.00 -0.70 0.00 0.00 0.00 174.94 173.85 1vjg s GLU 130 N 2.42 3.15 0.22 2.79 2.12 -1.26 -4.92 118.70 123.22 1vjg s GLU 130 Ca 0.19 -0.79 -0.08 0.00 0.36 0.00 0.00 54.97 54.64 1vjg s GLU 130 Cb -0.15 -3.15 0.19 0.00 0.26 0.00 0.00 34.13 31.28 1vjg s GLU 130 CO 0.14 -0.34 1.87 1.96 -0.54 0.00 0.00 175.26 178.35 1vjg h GLN 131 N 8.14 1.16 -0.03 4.30 1.08 -1.98 -1.75 115.11 126.02 1vjg h GLN 131 Ca -0.35 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 1vjg h GLN 131 Cb 1.13 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 1vjg h GLN 131 CO 0.59 0.81 0.00 1.04 -0.95 0.00 0.00 178.83 180.32 1vjg n GLN 132 N -4.43 1.13 -3.20 1.46 1.13 -1.26 -4.32 117.38 107.89 1vjg n GLN 132 Ca 0.09 -0.20 -0.22 0.00 -1.94 0.00 0.00 57.00 54.73 1vjg n GLN 132 Cb 0.05 -1.29 -0.07 0.00 0.11 0.00 0.00 30.24 29.04 1vjg n GLN 132 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1vjg n ASP 133 N -0.57 -0.74 0.31 1.08 2.03 -0.66 -4.97 116.55 113.03 1vjg n ASP 133 Ca 0.13 -2.62 0.19 0.00 0.52 0.00 0.00 54.79 53.01 1vjg n ASP 133 Cb 0.11 -0.16 0.96 0.00 -0.72 0.00 0.00 41.12 41.31 1vjg n ASP 133 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1vjg h PRO 134 N 4.82 0.00 0.00 -0.67 0.13 -1.75 -2.45 132.00 132.08 1vjg h PRO 134 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1vjg h PRO 134 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1vjg h PRO 134 CO 0.36 0.02 0.00 0.41 -0.23 0.00 0.00 178.00 178.56 1vjg n GLY 135 N -0.66 -1.01 0.36 1.56 0.00 -1.26 -3.85 105.19 100.33 1vjg n GLY 135 Ca -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 1vjg n GLY 135 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1vjg h ARG 136 N 0.00 1.20 -0.10 1.61 2.43 -1.80 -2.32 114.38 115.40 1vjg h ARG 136 Ca 0.00 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1vjg h ARG 136 Cb 0.22 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1vjg h ARG 136 CO 0.00 0.87 0.06 -0.09 -1.51 0.00 0.00 179.97 179.30 1vjg h ARG 137 N 1.21 0.13 -0.28 0.20 2.43 -1.82 -0.53 114.38 115.72 1vjg h ARG 137 Ca 0.31 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 1vjg h ARG 137 Cb 0.01 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1vjg h ARG 137 CO -0.05 0.10 0.12 -0.09 -1.51 0.00 0.00 179.97 178.54 1vjg h ARG 138 N 0.11 0.42 -0.41 0.20 9.65 -1.79 0.12 114.38 122.68 1vjg h ARG 138 Ca 0.03 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1vjg h ARG 138 Cb 0.01 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 1vjg h ARG 138 CO -0.01 0.43 0.26 0.00 2.80 0.00 0.00 179.97 183.45 1vjg h ARG 139 N 0.31 0.54 -0.09 0.20 3.08 -1.25 -0.36 114.38 116.81 1vjg h ARG 139 Ca 0.09 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.94 1vjg h ARG 139 Cb 0.17 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.11 1vjg h ARG 139 CO -0.01 0.37 -0.59 1.15 -1.07 0.00 0.00 179.97 179.83 1vjg h THR 140 N 0.56 1.36 -0.52 2.04 2.02 -0.64 -0.67 112.91 117.05 1vjg h THR 140 Ca 0.15 -1.91 0.02 0.00 0.77 0.00 0.00 66.41 65.44 1vjg h THR 140 Cb -0.04 2.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.57 1vjg h THR 140 CO -0.03 0.58 0.31 0.40 0.37 0.00 0.00 175.52 177.15 1vjg h ILE 141 N 0.16 1.06 -0.24 3.11 2.04 -0.80 0.62 117.51 123.46 1vjg h ILE 141 Ca -0.05 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.60 1vjg h ILE 141 Cb 1.24 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1vjg h ILE 141 CO 0.12 0.11 0.15 0.44 0.00 0.00 0.00 178.15 178.97 1vjg h ASP 142 N 0.63 0.25 0.22 1.72 3.32 -0.94 -1.49 116.42 120.12 1vjg h ASP 142 Ca 0.21 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1vjg h ASP 142 Cb 0.01 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1vjg h ASP 142 CO -0.09 0.18 -0.15 0.25 -1.72 0.00 0.00 179.24 177.71 1vjg h LEU 143 N 0.31 -0.39 -1.03 1.55 5.85 -0.91 -2.27 115.31 118.42 1vjg h LEU 143 Ca 0.09 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.94 1vjg h LEU 143 Cb -0.02 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.06 1vjg h LEU 143 CO -0.03 -0.24 0.64 -1.28 -0.34 0.00 0.00 178.44 177.18 1vjg h SER 144 N -0.37 0.97 -0.68 1.25 0.87 -0.66 0.13 113.55 115.06 1vjg h SER 144 Ca -0.02 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1vjg h SER 144 Cb 0.32 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 1vjg h SER 144 CO 0.00 0.56 0.33 1.56 -0.53 0.00 0.00 176.83 178.75 1vjg h GLN 145 N 1.06 0.97 -0.65 2.24 4.20 -1.12 -0.21 115.11 121.61 1vjg h GLN 145 Ca 0.47 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.96 1vjg h GLN 145 Cb 0.36 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 1vjg h GLN 145 CO -0.22 0.76 0.11 1.96 -0.67 0.00 0.00 178.83 180.77 1vjg h GLN 146 N 0.94 1.07 -0.55 1.46 1.08 -0.51 -2.48 115.11 116.11 1vjg h GLN 146 Ca 0.23 -0.29 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 1vjg h GLN 146 Cb 0.11 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 1vjg h GLN 146 CO -0.03 0.99 0.25 -0.07 -0.95 0.00 0.00 178.83 179.02 1vjg h LEU 147 N 0.99 0.70 -0.81 1.46 3.38 -0.51 -1.94 115.31 118.58 1vjg h LEU 147 Ca 0.20 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1vjg h LEU 147 Cb 0.43 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1vjg h LEU 147 CO 0.01 0.60 -0.03 0.00 0.09 0.00 0.00 178.44 179.11 1vjg h ALA 148 N 1.51 1.00 -0.37 1.53 0.00 -0.72 -1.47 119.26 120.74 1vjg h ALA 148 Ca 0.19 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1vjg h ALA 148 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1vjg h ALA 148 CO -0.02 0.61 -0.28 -0.07 0.00 0.00 0.00 179.25 179.48 1vjg h LEU 149 N 0.79 0.89 -0.34 0.00 4.07 -1.07 -0.01 115.31 119.64 1vjg h LEU 149 Ca 0.14 -0.44 -0.01 0.00 0.08 0.00 0.00 57.88 57.65 1vjg h LEU 149 Cb 0.52 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 1vjg h LEU 149 CO 0.03 1.14 0.16 0.58 -1.08 0.00 0.00 178.44 179.27 1vjg h VAL 150 N 0.64 1.16 -0.37 1.22 2.07 -1.10 -2.00 116.25 117.88 1vjg h VAL 150 Ca 0.07 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1vjg h VAL 150 Cb 0.86 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1vjg h VAL 150 CO 0.07 0.17 0.14 0.00 0.02 0.00 0.00 177.57 177.98 1vjg h GLN 152 N 0.45 0.01 0.00 0.00 4.20 -0.87 0.80 115.11 119.70 1vjg h GLN 152 Ca 0.12 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 1vjg h GLN 152 Cb 0.20 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1vjg h GLN 152 CO -0.01 0.01 -0.31 -0.44 -0.67 0.00 0.00 178.83 177.41 1vjg h ASP 153 N 0.02 0.00 -0.14 1.46 3.32 -1.01 -2.82 116.42 117.25 1vjg h ASP 153 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1vjg h ASP 153 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1vjg h ASP 153 CO -0.56 0.31 0.00 0.18 -1.72 0.00 0.00 179.24 177.45 1vjg n LEU 154 N -3.85 3.14 -3.47 1.55 4.77 -0.57 -4.98 117.00 113.59 1vjg n LEU 154 Ca -0.01 -1.15 -0.24 0.00 -0.03 0.00 0.00 56.01 54.58 1vjg n LEU 154 Cb 0.39 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.48 1vjg n LEU 154 CO 0.36 0.57 0.20 0.47 -1.33 0.00 0.00 177.39 177.67 1vjg n ASP 155 N 1.40 -6.34 -4.49 -1.43 8.00 0.19 -5.00 116.55 108.88 1vjg n ASP 155 Ca 0.16 -0.49 -0.35 0.00 0.71 0.00 0.00 54.79 54.82 1vjg n ASP 155 Cb 0.60 -5.01 -0.12 0.00 -0.02 0.00 0.00 41.12 36.58 1vjg n ASP 155 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1vjg s VAL 156 N -3.29 4.22 0.32 2.53 1.01 -0.80 -5.04 120.40 119.35 1vjg s VAL 156 Ca 0.53 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 62.00 1vjg s VAL 156 Cb -0.23 -2.92 -0.11 0.00 0.00 0.00 0.00 36.38 33.12 1vjg s VAL 156 CO 0.66 0.42 1.43 -2.84 0.00 0.00 0.00 175.10 174.77 1vjg s PRO 157 N 0.98 4.23 -0.10 2.72 0.02 -1.26 -4.36 135.00 137.23 1vjg s PRO 157 Ca 0.03 2.39 0.01 0.00 0.02 0.00 0.00 61.00 63.45 1vjg s PRO 157 Cb -0.14 -3.05 0.02 0.00 0.02 0.00 0.00 34.50 31.35 1vjg s PRO 157 CO 0.02 -0.41 -0.11 -0.47 -0.33 0.00 0.00 177.00 175.70 1vjg s TYR 158 N -0.67 1.60 -0.29 6.54 5.04 -1.26 -4.66 117.35 123.65 1vjg s TYR 158 Ca 0.55 -0.73 -0.09 0.00 -2.44 0.00 0.00 57.07 54.36 1vjg s TYR 158 Cb -0.43 -1.23 -0.02 0.00 0.35 0.00 0.00 41.96 40.63 1vjg s TYR 158 CO 0.53 -0.43 0.13 -1.17 -1.34 0.00 0.00 175.55 173.27 1vjg s LEU 159 N 1.16 3.90 -0.65 6.97 2.96 -1.26 -5.01 118.68 126.75 1vjg s LEU 159 Ca -0.05 -0.35 -0.22 0.00 -0.22 0.00 0.00 54.13 53.29 1vjg s LEU 159 Cb -0.14 -2.00 0.07 0.00 0.50 0.00 0.00 46.19 44.62 1vjg s LEU 159 CO -0.03 -0.12 0.93 -0.62 -1.32 0.00 0.00 176.35 175.19 1vjg s ASP 160 N 1.64 6.18 0.01 3.68 2.15 -1.26 -0.84 116.67 128.23 1vjg s ASP 160 Ca 0.06 -1.02 0.25 0.00 0.43 0.00 0.00 52.55 52.26 1vjg s ASP 160 Cb -0.16 -2.40 0.54 0.00 -0.30 0.00 0.00 42.92 40.60 1vjg s ASP 160 CO 0.06 -1.40 1.44 1.33 -0.17 0.00 0.00 175.17 176.44 1vjg n VAL 161 N 5.88 0.04 0.16 1.11 0.24 -1.26 -4.60 118.33 119.91 1vjg n VAL 161 Ca -0.04 -0.03 -0.14 0.00 -2.04 0.00 0.00 64.34 62.08 1vjg n VAL 161 Cb 0.45 0.15 -0.07 0.00 -1.47 0.00 0.00 33.84 32.90 1vjg n VAL 161 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 1vjg h PHE 162 N 0.00 -0.91 0.00 6.34 3.04 -1.89 -2.41 116.94 121.11 1vjg h PHE 162 Ca 0.00 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.93 1vjg h PHE 162 Cb 0.53 0.37 -0.01 0.00 2.56 0.00 0.00 35.95 39.40 1vjg h PHE 162 CO 0.00 -0.46 -0.17 -1.00 -2.02 0.00 0.00 178.31 174.66 1vjg h PRO 163 N -0.63 0.00 -0.00 6.41 0.13 -1.94 -2.23 132.00 133.74 1vjg h PRO 163 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1vjg h PRO 163 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1vjg h PRO 163 CO -0.13 0.17 -0.12 1.28 -0.23 0.00 0.00 178.00 178.97 1vjg n LEU 164 N -4.21 0.13 -0.68 1.56 4.32 -0.94 -3.11 117.00 114.06 1vjg n LEU 164 Ca -0.02 0.37 0.09 0.00 -0.02 0.00 0.00 56.01 56.42 1vjg n LEU 164 Cb 0.24 -0.43 0.06 0.00 -1.62 0.00 0.00 43.42 41.68 1vjg n LEU 164 CO 0.35 0.03 0.50 0.18 -1.22 0.00 0.00 177.39 177.23 1vjg n LEU 165 N -1.48 2.41 -4.88 2.23 4.77 -0.86 -4.67 117.00 114.51 1vjg n LEU 165 Ca 0.07 -0.96 -0.29 0.00 -0.03 0.00 0.00 56.01 54.80 1vjg n LEU 165 Cb 0.34 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.52 1vjg n LEU 165 CO 0.29 0.42 0.78 -1.61 -1.33 0.00 0.00 177.39 175.94 1vjg s GLU 166 N -1.61 1.94 0.40 3.23 2.02 -1.11 -4.46 118.70 119.10 1vjg s GLU 166 Ca 0.20 0.17 -0.26 0.00 0.02 0.00 0.00 54.97 55.11 1vjg s GLU 166 Cb 0.15 -1.94 -0.11 0.00 0.10 0.00 0.00 34.13 32.33 1vjg s GLU 166 CO 0.26 -1.63 1.20 1.63 0.02 0.00 0.00 175.26 176.75 1vjg n LYS 167 N -3.35 1.81 -0.16 1.61 4.01 -1.26 -1.66 118.16 119.16 1vjg n LYS 167 Ca 0.08 0.64 0.04 0.00 -0.51 0.00 0.00 58.31 58.56 1vjg n LYS 167 Cb 0.60 -2.27 0.12 0.00 -0.51 0.00 0.00 35.03 32.97 1vjg n LYS 167 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1vjg n PRO 168 N 0.21 1.72 -1.54 1.97 -0.04 -1.26 -5.07 135.00 130.99 1vjg n PRO 168 Ca 0.07 -0.93 -0.42 0.00 -0.04 0.00 0.00 63.50 62.17 1vjg n PRO 168 Cb 0.38 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1vjg n PRO 168 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1vjg n SER 169 N 0.23 0.36 0.01 3.54 2.88 -0.66 -4.90 113.62 115.08 1vjg n SER 169 Ca 0.09 1.02 0.12 0.00 -1.33 0.00 0.00 58.87 58.77 1vjg n SER 169 Cb 0.28 -1.23 0.52 0.00 -0.75 0.00 0.00 64.21 63.03 1vjg n SER 169 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1vjg n VAL 170 N -0.46 0.34 -0.39 2.46 0.24 -1.26 -4.30 118.33 114.96 1vjg n VAL 170 Ca 0.11 0.06 -0.10 0.00 -2.04 0.00 0.00 64.34 62.37 1vjg n VAL 170 Cb 0.37 -0.67 -0.09 0.00 -1.47 0.00 0.00 33.84 31.99 1vjg n VAL 170 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 1vjg n TRP 171 N -1.57 -0.40 0.10 6.34 -0.00 -1.26 -1.52 117.44 119.13 1vjg n TRP 171 Ca 0.06 1.18 -0.04 0.00 -0.00 0.00 0.00 57.50 58.69 1vjg n TRP 171 Cb 0.29 -0.59 0.12 0.00 -0.00 0.00 0.00 31.31 31.14 1vjg n TRP 171 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1vjg h LEU 172 N 0.00 0.17 -0.40 5.87 3.38 -1.78 -1.73 115.31 120.81 1vjg h LEU 172 Ca 0.16 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1vjg h LEU 172 Cb 0.39 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1vjg h LEU 172 CO -0.89 0.77 0.22 -0.74 0.09 0.00 0.00 178.44 177.89 1vjg h HIS 173 N 0.10 0.56 -0.46 1.13 2.76 -1.65 -1.58 115.15 116.02 1vjg h HIS 173 Ca -0.01 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.06 1vjg h HIS 173 Cb 1.16 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.92 1vjg h HIS 173 CO 0.01 0.44 -0.02 0.93 -1.30 0.00 0.00 177.93 177.99 1vjg h GLU 174 N 0.52 0.83 -0.85 5.26 5.08 -1.02 -2.27 114.58 122.13 1vjg h GLU 174 Ca 0.14 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1vjg h GLU 174 Cb 0.07 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 1vjg h GLU 174 CO -0.02 0.89 0.54 0.00 -1.00 0.00 0.00 179.01 179.42 1vjg h ALA 175 N 0.91 1.12 0.00 3.43 0.00 -1.13 -2.14 119.26 121.45 1vjg h ALA 175 Ca 0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1vjg h ALA 175 Cb 0.53 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1vjg h ALA 175 CO 0.03 0.36 -0.21 0.87 0.00 0.00 0.00 179.25 180.30 1vjg h LYS 176 N 1.04 0.00 -0.01 0.00 1.79 -1.02 0.19 116.57 118.56 1vjg h LYS 176 Ca 0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 1vjg h LYS 176 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1vjg h LYS 176 CO -0.13 0.21 -0.15 0.00 -1.08 0.00 0.00 179.45 178.30 1vjg n ALA 177 N -2.17 2.87 -2.00 3.86 0.00 -0.88 -4.47 120.51 117.72 1vjg n ALA 177 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1vjg n ALA 177 Cb 0.55 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1vjg n ALA 177 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1vjg n ASN 178 N -0.47 0.00 -0.56 0.00 5.15 -0.85 -4.98 115.26 113.55 1vjg n ASN 178 Ca 0.15 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.18 1vjg n ASN 178 Cb 0.33 0.00 0.14 0.00 -0.53 0.00 0.00 39.78 39.72 1vjg n ASN 178 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1vjg n ASP 179 N 0.00 2.87 0.00 1.20 5.68 -1.16 -4.97 116.55 120.17 1vjg n ASP 179 Ca 0.00 -2.10 0.00 0.00 -0.50 0.00 0.00 54.79 52.19 1vjg n ASP 179 Cb 0.00 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 39.75 1vjg n ASP 179 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vjg n GLY 180 N 0.26 2.77 1.08 6.12 0.00 0.64 -4.82 105.19 111.23 1vjg n GLY 180 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1vjg n GLY 180 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vjg n VAL 181 N -2.00 0.25 -4.03 1.61 0.31 -1.23 -4.53 118.33 108.72 1vjg n VAL 181 Ca 0.00 0.08 -0.35 0.00 -0.01 0.00 0.00 64.34 64.06 1vjg n VAL 181 Cb 0.00 -1.45 -0.09 0.00 -0.91 0.00 0.00 33.84 31.39 1vjg n VAL 181 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1vjg s HIS 182 N -2.00 3.29 0.24 3.52 3.76 -1.26 -4.82 115.29 118.02 1vjg s HIS 182 Ca 0.00 0.16 -0.04 0.00 -0.15 0.00 0.00 55.06 55.03 1vjg s HIS 182 Cb 0.00 -2.02 0.05 0.00 1.11 0.00 0.00 32.58 31.72 1vjg s HIS 182 CO 0.00 0.28 0.32 -0.35 -0.85 0.00 0.00 174.74 174.15 1vjg n PRO 183 N 3.13 -0.24 0.00 8.40 -0.04 -1.26 -3.96 135.00 141.02 1vjg n PRO 183 Ca -0.17 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.76 1vjg n PRO 183 Cb 0.53 -0.32 0.00 0.00 -0.04 0.00 0.00 33.50 33.67 1vjg n PRO 183 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1vjg n GLN 184 N -1.67 2.83 -0.20 0.54 6.02 -1.26 -3.87 117.38 119.76 1vjg n GLN 184 Ca 0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.93 1vjg n GLN 184 Cb 0.14 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.42 1vjg n GLN 184 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1vjg h ALA 185 N 1.00 0.78 -0.38 -1.58 0.00 -1.95 -1.91 119.26 115.21 1vjg h ALA 185 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1vjg h ALA 185 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1vjg h ALA 185 CO 0.00 0.65 0.24 0.78 0.00 0.00 0.00 179.25 180.92 1vjg h GLY 186 N 0.93 0.53 0.83 0.00 0.00 -1.98 0.34 103.07 103.73 1vjg h GLY 186 Ca 0.16 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 1vjg h GLY 186 CO 0.04 0.18 -0.08 -1.33 0.00 0.00 0.00 176.54 175.34 1vjg h GLY 187 N 0.49 0.50 2.00 4.60 0.00 -1.79 -2.14 103.07 106.73 1vjg h GLY 187 Ca 0.14 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 1vjg h GLY 187 CO -0.05 0.39 -0.27 -0.97 0.00 0.00 0.00 176.54 175.65 1vjg h TYR 188 N 0.18 0.00 -0.54 5.60 0.05 -1.17 -1.76 116.97 119.33 1vjg h TYR 188 Ca 0.05 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.72 1vjg h TYR 188 Cb 0.56 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.28 1vjg h TYR 188 CO 0.06 0.27 -0.11 1.15 -1.05 0.00 0.00 178.16 178.47 1vjg h THR 189 N 0.00 1.27 -0.51 -2.88 2.02 -0.71 -1.39 112.91 110.71 1vjg h THR 189 Ca -0.00 -1.27 -0.06 0.00 0.77 0.00 0.00 66.41 65.84 1vjg h THR 189 Cb 0.57 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1vjg h THR 189 CO 0.03 0.45 0.07 -0.33 0.37 0.00 0.00 175.52 176.12 1vjg h GLU 190 N 0.91 0.85 0.09 6.66 5.08 -0.84 -1.61 114.58 125.72 1vjg h GLU 190 Ca 0.14 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1vjg h GLU 190 Cb 0.68 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1vjg h GLU 190 CO 0.05 0.84 -0.08 0.35 -1.00 0.00 0.00 179.01 179.17 1vjg h PHE 191 N 0.72 -0.20 -0.68 4.33 3.04 -1.24 -2.51 116.94 120.39 1vjg h PHE 191 Ca 0.15 0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.23 1vjg h PHE 191 Cb 0.41 0.08 -0.09 0.00 2.56 0.00 0.00 35.95 38.91 1vjg h PHE 191 CO 0.03 -0.12 0.25 0.00 -2.02 0.00 0.00 178.31 176.44 1vjg h ALA 192 N 0.72 0.91 -0.50 2.41 0.00 -1.11 -2.33 119.26 119.36 1vjg h ALA 192 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1vjg h ALA 192 Cb 0.17 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1vjg h ALA 192 CO -0.02 -0.22 0.29 -0.09 0.00 0.00 0.00 179.25 179.21 1vjg h ARG 193 N 0.40 0.68 -0.04 0.00 2.43 -1.00 -0.38 114.38 116.47 1vjg h ARG 193 Ca 0.36 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1vjg h ARG 193 Cb 0.52 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1vjg h ARG 193 CO -0.38 0.49 0.02 0.82 -1.51 0.00 0.00 179.97 179.41 1vjg h ILE 194 N 0.69 1.13 -0.58 1.20 2.04 -1.01 -2.63 117.51 118.36 1vjg h ILE 194 Ca 0.18 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.69 1vjg h ILE 194 Cb -0.01 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1vjg h ILE 194 CO -0.03 0.11 0.33 0.58 0.00 0.00 0.00 178.15 179.14 1vjg h VAL 195 N -0.08 1.02 0.00 1.67 2.07 -1.02 -2.53 116.25 117.38 1vjg h VAL 195 Ca 0.01 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1vjg h VAL 195 Cb 0.16 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1vjg h VAL 195 CO -0.00 0.12 -0.03 -0.33 0.02 0.00 0.00 177.57 177.35 1vjg h GLU 196 N 0.64 0.00 -0.35 1.57 5.08 -0.99 -2.26 114.58 118.27 1vjg h GLU 196 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1vjg h GLU 196 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1vjg h GLU 196 CO -0.13 0.03 0.00 0.09 -1.00 0.00 0.00 179.01 178.00 1vjg n ASN 197 N -4.20 2.40 -4.69 1.42 3.02 -0.97 -4.70 115.26 107.53 1vjg n ASN 197 Ca -0.03 -1.90 -0.42 0.00 -0.03 0.00 0.00 54.58 52.21 1vjg n ASN 197 Cb 0.11 -0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 1vjg n ASN 197 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1vjg s TRP 198 N -1.54 3.52 0.27 3.10 -0.00 -0.85 -4.95 118.94 118.48 1vjg s TRP 198 Ca 0.33 1.45 -0.01 0.00 -0.00 0.00 0.00 56.10 57.87 1vjg s TRP 198 Cb 0.18 -3.06 0.51 0.00 -0.00 0.00 0.00 33.47 31.10 1vjg s TRP 198 CO 0.25 -0.14 1.80 0.38 -0.00 0.00 0.00 176.95 179.24 1vjg h ASP 199 N 7.06 0.72 -0.15 5.86 3.04 -1.91 0.19 116.42 131.22 1vjg h ASP 199 Ca -0.34 0.06 -0.04 0.00 -3.24 0.00 0.00 57.03 53.47 1vjg h ASP 199 Cb 1.16 -0.07 -0.02 0.00 -1.04 0.00 0.00 39.33 39.37 1vjg h ASP 199 CO 0.81 0.36 -0.02 0.00 -2.04 0.00 0.00 179.24 178.35 1vjg h ALA 200 N 1.52 1.46 -0.07 4.15 0.00 -1.94 0.44 119.26 124.82 1vjg h ALA 200 Ca 0.46 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 1vjg h ALA 200 Cb 0.52 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1vjg h ALA 200 CO -0.30 0.38 -0.38 2.35 0.00 0.00 0.00 179.25 181.31 1vjg h TRP 201 N 0.40 0.52 -0.21 0.00 2.91 -1.48 -2.55 115.95 115.54 1vjg h TRP 201 Ca 0.09 -0.23 -0.03 0.00 1.13 0.00 0.00 58.89 59.85 1vjg h TRP 201 Cb 0.30 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 28.87 1vjg h TRP 201 CO 0.01 0.99 0.03 -0.07 -1.03 0.00 0.00 178.44 178.37 1vjg h LEU 202 N -0.09 0.34 0.00 0.65 3.38 -0.39 -2.50 115.31 116.71 1vjg h LEU 202 Ca -0.03 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1vjg h LEU 202 Cb 1.04 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1vjg h LEU 202 CO 0.08 0.52 0.00 0.59 0.09 0.00 0.00 178.44 179.72 1vjg n ASN 203 N -4.73 0.00 -0.09 -0.43 3.02 0.15 -2.68 115.26 110.51 1vjg n ASN 203 Ca -0.04 0.21 -0.23 0.00 -0.03 0.00 0.00 54.58 54.49 1vjg n ASN 203 Cb 0.20 -0.39 -0.12 0.00 -0.61 0.00 0.00 39.78 38.86 1vjg n ASN 203 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1vjg n TRP 204 N -1.39 0.81 1.45 3.10 -0.00 -0.96 -5.04 117.44 115.42 1vjg n TRP 204 Ca 0.08 0.29 0.12 0.00 -0.00 0.00 0.00 57.50 57.99 1vjg n TRP 204 Cb 0.21 -1.09 0.69 0.00 -0.00 0.00 0.00 31.31 31.12 1vjg n TRP 204 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88