#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfg s VAL 2 N 0.00 1.20 -0.19 3.15 1.01 -1.26 -4.74 120.40 119.57 1sfg s VAL 2 Ca 0.00 -1.62 -0.24 0.00 0.00 0.00 0.00 61.98 60.12 1sfg s VAL 2 Cb 0.00 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1sfg s VAL 2 CO 0.00 -0.66 0.78 -0.36 0.00 0.00 0.00 175.10 174.86 1sfg s PHE 3 N 1.45 3.39 0.73 5.22 0.40 -1.13 -5.03 117.98 123.01 1sfg s PHE 3 Ca 0.10 1.16 -0.09 0.00 -0.60 0.00 0.00 56.93 57.50 1sfg s PHE 3 Cb -0.18 -2.96 0.06 0.00 0.51 0.00 0.00 43.02 40.45 1sfg s PHE 3 CO -0.21 -0.24 1.07 0.20 0.70 0.00 0.00 175.22 176.73 1sfg s GLY 4 N 1.19 1.64 0.09 4.36 0.00 -1.26 -4.73 107.32 108.62 1sfg s GLY 4 Ca 0.35 -0.76 -0.34 0.00 0.00 0.00 0.00 44.72 43.97 1sfg s GLY 4 CO 0.11 -0.34 1.58 -0.09 0.00 0.00 0.00 173.10 174.35 1sfg h ARG 5 N -0.72 -0.87 0.00 2.90 2.43 -1.99 -0.97 114.38 115.16 1sfg h ARG 5 Ca -0.45 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1sfg h ARG 5 Cb 1.31 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 31.06 1sfg h ARG 5 CO 0.63 -0.58 0.00 0.00 -1.51 0.00 0.00 179.97 178.50 1sfg n GLU 7 N -1.34 1.51 -0.10 0.00 -0.58 -0.41 -4.35 120.64 115.35 1sfg n GLU 7 Ca 0.06 -1.58 0.04 0.00 -0.42 0.00 0.00 57.16 55.27 1sfg n GLU 7 Cb 0.13 -1.35 0.09 0.00 -0.57 0.00 0.00 31.44 29.75 1sfg n GLU 7 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1sfg n LEU 8 N 1.01 2.49 -0.02 -4.62 0.00 -0.92 -4.72 117.00 110.22 1sfg n LEU 8 Ca 0.11 -2.37 -0.03 0.00 0.00 0.00 0.00 56.01 53.72 1sfg n LEU 8 Cb 0.45 -0.21 -0.03 0.00 0.00 0.00 0.00 43.42 43.63 1sfg n LEU 8 CO 0.11 0.62 -0.64 0.00 0.00 0.00 0.00 177.39 177.47 1sfg n ALA 9 N -0.51 1.90 0.23 1.96 0.00 -1.25 -4.69 120.51 118.14 1sfg n ALA 9 Ca 0.09 -0.23 0.15 0.00 0.00 0.00 0.00 53.44 53.44 1sfg n ALA 9 Cb 0.45 0.29 0.77 0.00 0.00 0.00 0.00 19.45 20.95 1sfg n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sfg h ALA 10 N 0.09 1.00 0.00 0.00 0.00 -1.85 -1.89 119.26 116.61 1sfg h ALA 10 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1sfg h ALA 10 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1sfg h ALA 10 CO -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 179.25 179.04 1sfg h ALA 11 N 2.01 1.15 -0.63 0.00 0.00 -1.89 -2.67 119.26 117.24 1sfg h ALA 11 Ca 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1sfg h ALA 11 Cb 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1sfg h ALA 11 CO 0.00 0.25 0.15 0.52 0.00 0.00 0.00 179.25 180.17 1sfg h MET 12 N 0.00 0.99 -0.02 0.00 2.86 -1.68 0.24 114.93 117.33 1sfg h MET 12 Ca -0.00 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1sfg h MET 12 Cb 0.57 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1sfg h MET 12 CO 0.03 0.88 0.00 1.17 1.06 0.00 0.00 176.91 180.05 1sfg n LYS 13 N -4.25 1.05 -0.00 1.72 4.81 -1.01 -1.50 118.16 118.98 1sfg n LYS 13 Ca 0.05 -0.08 0.03 0.00 -0.87 0.00 0.00 58.31 57.43 1sfg n LYS 13 Cb 0.25 -1.23 -0.04 0.00 0.02 0.00 0.00 35.03 34.03 1sfg n LYS 13 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1sfg n ARG 14 N -0.64 3.49 -0.18 1.64 0.63 -0.28 -4.66 116.66 116.65 1sfg n ARG 14 Ca 0.11 -0.02 0.05 0.00 -0.92 0.00 0.00 57.85 57.07 1sfg n ARG 14 Cb 0.07 -0.91 0.14 0.00 0.45 0.00 0.00 32.46 32.21 1sfg n ARG 14 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1sfg n HIS 15 N -1.32 0.41 -0.85 -0.14 8.25 -0.08 -4.99 115.22 116.49 1sfg n HIS 15 Ca 0.01 -0.64 0.00 0.00 -0.26 0.00 0.00 57.72 56.82 1sfg n HIS 15 Cb 0.12 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.12 1sfg n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sfg n GLY 16 N -0.18 0.51 0.16 -1.41 0.00 -1.08 -4.97 105.19 98.22 1sfg n GLY 16 Ca 0.12 -0.60 0.11 0.00 0.00 0.00 0.00 46.02 45.65 1sfg n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sfg n LEU 17 N 0.00 1.12 -4.64 0.99 4.77 -0.68 -4.63 117.00 113.93 1sfg n LEU 17 Ca 0.00 -0.39 -0.43 0.00 -0.03 0.00 0.00 56.01 55.16 1sfg n LEU 17 Cb 0.00 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1sfg n LEU 17 CO 0.00 0.24 1.40 -0.62 -1.33 0.00 0.00 177.39 177.07 1sfg s ASP 18 N -2.78 6.42 -1.43 -1.43 2.15 -1.25 -1.09 116.67 117.26 1sfg s ASP 18 Ca 0.14 1.84 -0.09 0.00 0.43 0.00 0.00 52.55 54.87 1sfg s ASP 18 Cb 0.17 -2.53 0.05 0.00 -0.30 0.00 0.00 42.92 40.31 1sfg s ASP 18 CO 0.69 -1.19 0.97 0.59 -0.17 0.00 0.00 175.17 176.07 1sfg n ASN 19 N 8.19 -4.24 -4.62 -0.34 3.02 -1.23 -4.72 115.26 111.31 1sfg n ASN 19 Ca 0.19 -0.73 -0.38 0.00 -0.03 0.00 0.00 54.58 53.63 1sfg n ASN 19 Cb 0.44 -4.24 -0.09 0.00 -0.61 0.00 0.00 39.78 35.29 1sfg n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1sfg s TYR 20 N -3.38 3.28 -1.16 3.10 5.04 -0.25 -4.49 117.35 119.48 1sfg s TYR 20 Ca 0.47 0.40 -0.07 0.00 -2.44 0.00 0.00 57.07 55.43 1sfg s TYR 20 Cb -0.23 -2.50 -0.03 0.00 0.35 0.00 0.00 41.96 39.55 1sfg s TYR 20 CO 0.80 -0.14 0.84 0.54 -1.34 0.00 0.00 175.55 176.25 1sfg n ARG 21 N 4.99 -3.25 -0.35 4.97 1.74 -1.26 -2.85 116.66 120.65 1sfg n ARG 21 Ca -0.10 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 1sfg n ARG 21 Cb 0.51 -5.22 0.00 0.00 -1.02 0.00 0.00 32.46 26.73 1sfg n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sfg n GLY 22 N -1.43 1.46 3.53 -0.13 0.00 -1.26 -4.90 105.19 102.46 1sfg n GLY 22 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1sfg n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sfg s TYR 23 N -2.64 3.13 0.68 1.61 2.02 -1.13 -5.06 117.35 115.95 1sfg s TYR 23 Ca 0.00 -0.21 -0.13 0.00 -0.37 0.00 0.00 57.07 56.36 1sfg s TYR 23 Cb 0.00 -2.12 0.00 0.00 -0.40 0.00 0.00 41.96 39.45 1sfg s TYR 23 CO 0.00 -0.10 1.07 0.45 -1.57 0.00 0.00 175.55 175.40 1sfg s SER 24 N 0.87 5.29 0.54 2.29 0.15 -1.26 -1.69 113.70 119.89 1sfg s SER 24 Ca 0.03 1.76 0.22 0.00 0.70 0.00 0.00 55.95 58.65 1sfg s SER 24 Cb -0.14 -2.52 1.42 0.00 -1.71 0.00 0.00 66.02 63.07 1sfg s SER 24 CO 0.02 -1.50 2.11 0.25 1.20 0.00 0.00 173.24 175.33 1sfg h LEU 25 N -0.38 0.00 -0.69 3.45 5.85 -1.85 -1.55 115.31 120.13 1sfg h LEU 25 Ca -0.45 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.20 1sfg h LEU 25 Cb 1.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1sfg h LEU 25 CO 0.56 0.00 -0.32 1.23 -0.34 0.00 0.00 178.44 179.56 1sfg h GLY 26 N 0.00 0.00 0.53 3.75 0.00 -1.91 -3.17 103.07 102.27 1sfg h GLY 26 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1sfg h GLY 26 CO -0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 1sfg n ASN 27 N -3.35 0.00 -0.06 0.19 3.02 -0.58 -4.01 115.26 110.46 1sfg n ASN 27 Ca 0.01 -1.29 -0.13 0.00 -0.03 0.00 0.00 54.58 53.15 1sfg n ASN 27 Cb 0.54 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.67 1sfg n ASN 27 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1sfg n TRP 28 N -0.76 0.00 -0.19 3.10 7.02 -1.20 -4.82 117.44 120.59 1sfg n TRP 28 Ca 0.11 0.00 0.26 0.00 -1.02 0.00 0.00 57.50 56.85 1sfg n TRP 28 Cb 0.05 -0.46 0.67 0.00 -2.42 0.00 0.00 31.31 29.15 1sfg n TRP 28 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1sfg h VAL 29 N -0.55 0.59 -0.01 -0.99 2.07 -1.71 -1.65 116.25 113.99 1sfg h VAL 29 Ca -0.26 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.26 1sfg h VAL 29 Cb 1.07 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1sfg h VAL 29 CO -0.16 0.02 -0.20 0.00 0.02 0.00 0.00 177.57 177.25 1sfg h ALA 31 N 0.59 1.56 -0.76 0.00 0.00 -1.64 -2.09 119.26 116.92 1sfg h ALA 31 Ca 0.06 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1sfg h ALA 31 Cb 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1sfg h ALA 31 CO -0.19 -0.12 0.50 0.00 0.00 0.00 0.00 179.25 179.44 1sfg h ALA 32 N 1.89 1.61 -0.06 0.00 0.00 -1.50 0.39 119.26 121.59 1sfg h ALA 32 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sfg h ALA 32 Cb 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1sfg h ALA 32 CO -0.00 0.29 0.00 1.17 0.00 0.00 0.00 179.25 180.71 1sfg n LYS 33 N -4.47 1.40 -0.02 0.00 3.00 -0.78 -2.16 118.16 115.13 1sfg n LYS 33 Ca 0.11 -0.60 0.02 0.00 -0.00 0.00 0.00 58.31 57.84 1sfg n LYS 33 Cb 0.17 -1.41 0.03 0.00 0.00 0.00 0.00 35.03 33.83 1sfg n LYS 33 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1sfg n PHE 34 N -0.22 0.06 -0.03 5.64 3.72 0.10 -4.25 117.46 122.48 1sfg n PHE 34 Ca 0.18 -0.18 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 1sfg n PHE 34 Cb 0.23 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 1sfg n PHE 34 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1sfg n GLU 35 N 0.09 0.15 0.00 -1.08 -0.58 0.75 -4.87 120.64 115.10 1sfg n GLU 35 Ca 0.03 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1sfg n GLU 35 Cb 0.17 -0.95 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 1sfg n GLU 35 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1sfg n SER 36 N -2.97 0.09 -3.34 1.62 7.64 -0.92 -4.92 113.62 110.82 1sfg n SER 36 Ca -0.12 -0.57 -0.16 0.00 1.01 0.00 0.00 58.87 59.03 1sfg n SER 36 Cb 0.61 0.08 0.08 0.00 -1.01 0.00 0.00 64.21 63.97 1sfg n SER 36 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1sfg n ASN 37 N -0.08 -4.29 -3.34 6.43 5.15 -1.10 -3.39 115.26 114.64 1sfg n ASN 37 Ca 0.00 -0.66 -0.23 0.00 -0.60 0.00 0.00 54.58 53.08 1sfg n ASN 37 Cb 0.11 -5.17 0.06 0.00 -0.53 0.00 0.00 39.78 34.25 1sfg n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1sfg n PHE 38 N -3.69 -2.46 -4.01 1.20 3.72 -1.24 -4.96 117.46 106.02 1sfg n PHE 38 Ca -0.18 0.79 -0.13 0.00 -0.05 0.00 0.00 57.45 57.88 1sfg n PHE 38 Cb 0.65 -4.78 -0.13 0.00 -0.94 0.00 0.00 39.48 34.28 1sfg n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1sfg s ASN 39 N -3.04 0.36 0.00 4.37 2.47 -1.22 -2.86 114.94 115.04 1sfg s ASN 39 Ca 0.46 -0.21 0.18 0.00 0.42 0.00 0.00 52.86 53.71 1sfg s ASN 39 Cb -0.20 0.00 0.45 0.00 -1.45 0.00 0.00 41.25 40.05 1sfg s ASN 39 CO 0.57 -0.07 1.37 0.35 -3.72 0.00 0.00 177.10 175.61 1sfg n THR 40 N 2.52 0.86 -0.39 -5.21 -2.24 -1.26 -3.32 114.28 105.23 1sfg n THR 40 Ca -0.16 -0.93 0.07 0.00 -2.27 0.00 0.00 64.05 60.75 1sfg n THR 40 Cb 0.58 0.62 0.19 0.00 -2.10 0.00 0.00 70.33 69.62 1sfg n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sfg n GLN 41 N 1.16 2.92 -3.47 -0.78 6.02 -1.26 -4.07 117.38 117.89 1sfg n GLN 41 Ca 0.18 -2.28 -0.43 0.00 -0.01 0.00 0.00 57.00 54.46 1sfg n GLN 41 Cb 0.53 -1.44 -0.10 0.00 1.02 0.00 0.00 30.24 30.26 1sfg n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sfg s ALA 42 N -1.48 3.46 -0.01 -1.58 0.00 -1.26 -5.03 121.76 115.86 1sfg s ALA 42 Ca 0.29 -1.79 -0.05 0.00 0.00 0.00 0.00 51.96 50.41 1sfg s ALA 42 Cb 0.18 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.44 1sfg s ALA 42 CO 0.15 -1.50 0.10 0.95 0.00 0.00 0.00 175.76 175.46 1sfg s THR 43 N 1.65 0.06 0.14 0.00 -4.23 -1.26 -4.32 115.64 107.68 1sfg s THR 43 Ca 0.04 -0.53 -0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1sfg s THR 43 Cb -0.20 -0.33 -0.04 0.00 1.34 0.00 0.00 72.50 73.27 1sfg s THR 43 CO 0.09 -0.29 0.03 0.20 -0.54 0.00 0.00 174.62 174.11 1sfg s ASN 44 N -0.98 0.63 0.76 3.99 0.02 -1.26 -4.99 114.94 113.11 1sfg s ASN 44 Ca -0.11 -1.19 -0.01 0.00 -1.02 0.00 0.00 52.86 50.54 1sfg s ASN 44 Cb -0.06 0.23 0.15 0.00 0.02 0.00 0.00 41.25 41.59 1sfg s ASN 44 CO 0.01 -0.67 1.04 -0.60 0.02 0.00 0.00 177.10 176.90 1sfg s ARG 45 N -4.00 1.46 0.08 -0.60 3.52 -1.26 0.81 118.95 118.96 1sfg s ARG 45 Ca 0.23 -1.22 0.03 0.00 -0.13 0.00 0.00 55.73 54.64 1sfg s ARG 45 Cb 0.07 -2.30 -0.03 0.00 -1.56 0.00 0.00 34.95 31.12 1sfg s ARG 45 CO 0.02 -1.62 -0.10 -0.80 -0.81 0.00 0.00 175.30 171.99 1sfg s ASN 46 N -4.81 1.27 0.57 -2.12 0.02 1.10 -4.76 114.94 106.21 1sfg s ASN 46 Ca 0.68 -0.74 0.27 0.00 -1.02 0.00 0.00 52.86 52.06 1sfg s ASN 46 Cb -0.04 0.02 1.51 0.00 0.02 0.00 0.00 41.25 42.76 1sfg s ASN 46 CO 0.46 -0.25 2.01 0.74 0.02 0.00 0.00 177.10 180.08 1sfg h THR 47 N 3.84 0.53 0.00 1.60 2.02 -2.00 2.21 112.91 121.12 1sfg h THR 47 Ca -0.37 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1sfg h THR 47 Cb 1.19 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1sfg h THR 47 CO 0.49 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.85 1sfg n ASP 48 N -3.98 0.00 0.00 4.18 8.00 -1.26 -4.83 116.55 118.66 1sfg n ASP 48 Ca 0.06 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1sfg n ASP 48 Cb 0.51 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1sfg n ASP 48 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sfg n GLY 49 N 1.34 1.20 3.76 0.44 0.00 0.75 -5.02 105.19 107.65 1sfg n GLY 49 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1sfg n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sfg s SER 50 N -3.04 7.26 0.48 1.61 1.04 -1.22 -4.58 113.70 115.26 1sfg s SER 50 Ca 0.00 2.27 0.08 0.00 0.48 0.00 0.00 55.95 58.78 1sfg s SER 50 Cb 0.00 -2.63 0.03 0.00 0.10 0.00 0.00 66.02 63.53 1sfg s SER 50 CO 0.00 -0.15 0.62 -0.89 0.98 0.00 0.00 173.24 173.80 1sfg s THR 51 N -1.17 2.61 0.27 2.02 2.01 -1.26 0.35 115.64 120.47 1sfg s THR 51 Ca 0.45 -1.06 0.05 0.00 0.31 0.00 0.00 61.69 61.44 1sfg s THR 51 Cb -0.32 -2.67 -0.06 0.00 0.01 0.00 0.00 72.50 69.47 1sfg s THR 51 CO 0.41 0.00 -0.03 -1.81 -0.69 0.00 0.00 174.62 172.50 1sfg s ASP 52 N -4.43 2.47 -0.12 3.53 1.01 0.24 -2.02 116.67 117.35 1sfg s ASP 52 Ca 0.56 -1.22 -0.06 0.00 0.71 0.00 0.00 52.55 52.53 1sfg s ASP 52 Cb -0.07 -0.11 0.05 0.00 1.01 0.00 0.00 42.92 43.80 1sfg s ASP 52 CO 0.34 -0.42 0.29 -0.31 0.21 0.00 0.00 175.17 175.28 1sfg s TYR 53 N -3.16 -0.41 0.04 4.23 1.51 0.07 -4.45 117.35 115.18 1sfg s TYR 53 Ca 0.30 0.94 0.00 0.00 -1.01 0.00 0.00 57.07 57.30 1sfg s TYR 53 Cb 0.05 0.10 0.00 0.00 -0.11 0.00 0.00 41.96 42.00 1sfg s TYR 53 CO 0.11 -0.28 0.00 0.41 -1.11 0.00 0.00 175.55 174.69 1sfg n GLY 54 N 4.36 -2.12 0.25 0.71 0.00 -1.26 0.07 105.19 107.20 1sfg n GLY 54 Ca -0.23 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 44.47 1sfg n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1sfg h ILE 55 N -0.14 0.54 -0.11 -0.61 2.10 -1.70 0.12 117.51 117.71 1sfg h ILE 55 Ca 0.00 -0.77 -0.14 0.00 1.08 0.00 0.00 64.86 65.04 1sfg h ILE 55 Cb 0.14 1.52 -0.01 0.00 -1.09 0.00 0.00 36.82 37.37 1sfg h ILE 55 CO 0.00 0.16 -0.53 -0.07 -1.08 0.00 0.00 178.15 176.63 1sfg h LEU 56 N 0.00 0.34 -2.74 2.19 3.38 -1.86 -3.37 115.31 113.26 1sfg h LEU 56 Ca -0.00 -0.18 -0.37 0.00 0.09 0.00 0.00 57.88 57.42 1sfg h LEU 56 Cb 0.50 -0.10 0.12 0.00 0.09 0.00 0.00 40.66 41.27 1sfg h LEU 56 CO 0.02 0.81 -0.90 0.00 0.09 0.00 0.00 178.44 178.46 1sfg n GLN 57 N -3.94 -2.14 -2.95 1.13 6.02 0.11 -4.95 117.38 110.66 1sfg n GLN 57 Ca -0.02 0.62 -0.27 0.00 -0.01 0.00 0.00 57.00 57.31 1sfg n GLN 57 Cb 0.57 -4.85 -0.01 0.00 1.02 0.00 0.00 30.24 26.97 1sfg n GLN 57 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1sfg s ILE 58 N -3.47 4.96 -0.10 5.09 1.01 -0.94 -4.61 121.20 123.14 1sfg s ILE 58 Ca 0.40 0.07 -0.03 0.00 0.00 0.00 0.00 60.65 61.08 1sfg s ILE 58 Cb -0.11 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1sfg s ILE 58 CO 0.81 -0.65 0.05 0.54 0.00 0.00 0.00 174.94 175.68 1sfg s ASN 59 N -3.82 5.60 0.48 3.58 4.22 -1.25 -0.75 114.94 123.00 1sfg s ASN 59 Ca 0.46 0.24 0.32 0.00 -2.14 0.00 0.00 52.86 51.74 1sfg s ASN 59 Cb -0.10 -1.66 1.37 0.00 1.28 0.00 0.00 41.25 42.13 1sfg s ASN 59 CO 0.39 0.39 1.94 -1.28 -2.04 0.00 0.00 177.10 176.49 1sfg h SER 60 N 5.13 0.00 -0.44 3.54 0.87 -1.65 -2.06 113.55 118.92 1sfg h SER 60 Ca -0.52 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.02 1sfg h SER 60 Cb 1.20 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 1sfg h SER 60 CO 0.56 0.00 0.20 0.03 -0.53 0.00 0.00 176.83 177.09 1sfg h ARG 61 N 0.00 0.65 0.00 2.24 2.47 -1.82 -3.36 114.38 114.56 1sfg h ARG 61 Ca 0.00 -0.10 -0.24 0.00 -1.26 0.00 0.00 59.98 58.38 1sfg h ARG 61 Cb 0.40 -0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.56 1sfg h ARG 61 CO 0.00 0.57 -1.90 0.91 0.56 0.00 0.00 179.97 180.11 1sfg n TRP 62 N -4.64 0.00 -0.12 3.04 7.02 -1.17 -3.75 117.44 117.83 1sfg n TRP 62 Ca 0.01 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.27 1sfg n TRP 62 Cb 0.13 -0.62 -0.08 0.00 -2.42 0.00 0.00 31.31 28.32 1sfg n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1sfg n TRP 63 N -2.78 0.13 -4.67 -5.99 7.02 -0.78 -2.67 117.44 107.69 1sfg n TRP 63 Ca -0.26 0.06 -0.30 0.00 -1.02 0.00 0.00 57.50 55.98 1sfg n TRP 63 Cb 0.84 -0.86 -0.07 0.00 -2.42 0.00 0.00 31.31 28.81 1sfg n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1sfg s ASN 65 N -3.67 6.17 0.00 0.00 2.47 -1.26 -4.59 114.94 114.06 1sfg s ASN 65 Ca 0.06 -0.26 0.00 0.00 0.42 0.00 0.00 52.86 53.07 1sfg s ASN 65 Cb 0.00 -2.19 0.00 0.00 -1.45 0.00 0.00 41.25 37.61 1sfg s ASN 65 CO 0.04 -0.34 0.00 -0.90 -3.72 0.00 0.00 177.10 172.19 1sfg n ASP 66 N 5.36 0.18 0.00 -4.21 5.75 -1.26 -3.43 116.55 118.94 1sfg n ASP 66 Ca -0.09 -0.31 0.00 0.00 -0.01 0.00 0.00 54.79 54.37 1sfg n ASP 66 Cb 0.49 0.66 0.00 0.00 -1.03 0.00 0.00 41.12 41.24 1sfg n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sfg n GLY 67 N 0.71 2.82 0.52 6.12 0.00 -1.26 -4.78 105.19 109.32 1sfg n GLY 67 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1sfg n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1sfg n ARG 68 N -2.00 1.69 -3.85 1.61 1.85 -1.26 -4.42 116.66 110.28 1sfg n ARG 68 Ca 0.00 -1.04 -0.35 0.00 -1.00 0.00 0.00 57.85 55.47 1sfg n ARG 68 Cb 0.00 -1.40 -0.13 0.00 -1.05 0.00 0.00 32.46 29.89 1sfg n ARG 68 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1sfg s THR 69 N -1.82 3.01 0.44 8.89 -4.23 -1.26 -5.09 115.64 115.58 1sfg s THR 69 Ca 0.33 -2.02 -0.21 0.00 -1.18 0.00 0.00 61.69 58.62 1sfg s THR 69 Cb 0.17 -3.04 -0.11 0.00 1.34 0.00 0.00 72.50 70.87 1sfg s THR 69 CO 0.27 -0.58 0.95 -2.84 -0.54 0.00 0.00 174.62 171.88 1sfg s PRO 70 N 1.10 4.19 -1.06 3.99 0.02 -1.26 -4.01 135.00 137.98 1sfg s PRO 70 Ca 0.07 1.11 0.00 0.00 0.02 0.00 0.00 61.00 62.19 1sfg s PRO 70 Cb -0.21 -2.17 0.00 0.00 0.02 0.00 0.00 34.50 32.13 1sfg s PRO 70 CO -0.05 -0.06 0.00 0.41 -0.33 0.00 0.00 177.00 176.97 1sfg n GLY 71 N -0.74 1.12 3.86 0.52 0.00 -1.26 -4.98 105.19 103.71 1sfg n GLY 71 Ca 0.07 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 1sfg n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sfg s SER 72 N -2.72 6.69 -0.06 1.61 1.04 -1.26 -4.98 113.70 114.03 1sfg s SER 72 Ca 0.00 0.96 -0.25 0.00 0.48 0.00 0.00 55.95 57.14 1sfg s SER 72 Cb 0.00 -2.24 -0.24 0.00 0.10 0.00 0.00 66.02 63.65 1sfg s SER 72 CO 0.00 0.00 1.02 0.03 0.98 0.00 0.00 173.24 175.27 1sfg h ARG 73 N 2.95 0.15 -5.80 4.02 3.08 -1.64 -3.49 114.38 113.65 1sfg h ARG 73 Ca -0.48 -0.16 -0.36 0.00 0.07 0.00 0.00 59.98 59.06 1sfg h ARG 73 Cb 1.18 0.05 0.13 0.00 0.08 0.00 0.00 29.97 31.40 1sfg h ARG 73 CO 0.68 0.91 -0.80 -1.71 -1.07 0.00 0.00 179.97 177.97 1sfg n ASN 74 N -4.53 -2.24 0.11 7.04 5.15 -1.09 -4.87 115.26 114.83 1sfg n ASN 74 Ca -0.10 -0.71 0.13 0.00 -0.60 0.00 0.00 54.58 53.30 1sfg n ASN 74 Cb 0.49 -4.72 0.44 0.00 -0.53 0.00 0.00 39.78 35.46 1sfg n ASN 74 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1sfg n LEU 75 N -4.10 0.74 0.03 1.20 4.77 -1.24 -2.67 117.00 115.73 1sfg n LEU 75 Ca -0.27 0.60 -0.05 0.00 -0.03 0.00 0.00 56.01 56.27 1sfg n LEU 75 Cb 0.67 -0.41 0.16 0.00 -2.33 0.00 0.00 43.42 41.51 1sfg n LEU 75 CO 0.63 -0.30 0.65 0.00 -1.33 0.00 0.00 177.39 177.05 1sfg n ASN 77 N -4.06 -3.83 -3.68 0.00 3.02 -1.09 -5.02 115.26 100.61 1sfg n ASN 77 Ca -0.01 -0.69 -0.15 0.00 -0.03 0.00 0.00 54.58 53.71 1sfg n ASN 77 Cb 0.47 -4.53 -0.08 0.00 -0.61 0.00 0.00 39.78 35.04 1sfg n ASN 77 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1sfg s ILE 78 N -3.41 0.04 0.26 2.41 1.01 -1.26 -5.10 121.20 115.15 1sfg s ILE 78 Ca 0.35 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.37 1sfg s ILE 78 Cb -0.16 -0.75 -0.11 0.00 0.01 0.00 0.00 42.46 41.44 1sfg s ILE 78 CO 0.78 -0.18 1.57 -2.16 0.00 0.00 0.00 174.94 174.95 1sfg s PRO 79 N -1.35 4.17 0.23 2.79 0.04 -1.26 -4.09 135.00 135.53 1sfg s PRO 79 Ca -0.12 2.49 -0.06 0.00 0.04 0.00 0.00 61.00 63.35 1sfg s PRO 79 Cb -0.03 -3.06 0.33 0.00 0.04 0.00 0.00 34.50 31.77 1sfg s PRO 79 CO 0.06 -0.59 1.82 0.00 0.04 0.00 0.00 177.00 178.33 1sfg n SER 81 N -4.72 0.00 0.00 0.00 3.41 -1.26 -1.08 113.62 109.97 1sfg n SER 81 Ca 0.12 0.49 0.05 0.00 -0.26 0.00 0.00 58.87 59.26 1sfg n SER 81 Cb 0.22 -0.49 0.23 0.00 -0.26 0.00 0.00 64.21 63.90 1sfg n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sfg n ALA 82 N -1.49 1.54 -0.11 7.33 0.00 0.13 -2.93 120.51 124.97 1sfg n ALA 82 Ca 0.01 -0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.21 1sfg n ALA 82 Cb 0.06 -1.16 -0.08 0.00 0.00 0.00 0.00 19.45 18.27 1sfg n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sfg n LEU 83 N -1.38 2.02 0.33 0.00 4.77 -0.24 -4.64 117.00 117.86 1sfg n LEU 83 Ca 0.04 0.14 0.15 0.00 -0.03 0.00 0.00 56.01 56.31 1sfg n LEU 83 Cb 0.09 -0.67 0.78 0.00 -2.33 0.00 0.00 43.42 41.29 1sfg n LEU 83 CO 0.08 0.59 1.11 -0.07 -1.33 0.00 0.00 177.39 177.76 1sfg h LEU 84 N -0.53 0.00-10.21 2.23 3.38 -1.66 -3.42 115.31 105.09 1sfg h LEU 84 Ca -0.53 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 56.94 1sfg h LEU 84 Cb 1.56 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.40 1sfg h LEU 84 CO -0.25 0.00 0.37 -0.55 0.09 0.00 0.00 178.44 178.10 1sfg s SER 85 N -4.35 5.29 0.35 -0.43 0.15 -1.25 -4.46 113.70 109.00 1sfg s SER 85 Ca -0.03 1.92 0.08 0.00 0.70 0.00 0.00 55.95 58.62 1sfg s SER 85 Cb 0.08 -2.54 0.80 0.00 -1.71 0.00 0.00 66.02 62.65 1sfg s SER 85 CO 0.26 -1.50 1.87 0.77 1.20 0.00 0.00 173.24 175.84 1sfg h SER 86 N 0.06 0.67 -3.60 5.45 4.64 -1.94 -3.39 113.55 115.44 1sfg h SER 86 Ca -0.46 0.04 -0.51 0.00 -0.47 0.00 0.00 61.79 60.38 1sfg h SER 86 Cb 1.24 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1sfg h SER 86 CO 0.55 0.34 0.46 -0.62 -0.87 0.00 0.00 176.83 176.69 1sfg s ASP 87 N -5.78 7.32 -0.02 4.97 -1.08 -1.26 -4.93 116.67 115.88 1sfg s ASP 87 Ca -0.10 2.07 0.03 0.00 -0.52 0.00 0.00 52.55 54.04 1sfg s ASP 87 Cb 0.22 -2.61 0.05 0.00 -1.46 0.00 0.00 42.92 39.12 1sfg s ASP 87 CO 0.79 -0.17 0.86 -0.38 0.52 0.00 0.00 175.17 176.79 1sfg n ILE 88 N 2.21 0.59 -0.35 4.11 5.41 -1.26 -4.87 119.36 125.20 1sfg n ILE 88 Ca 0.02 -0.65 0.15 0.00 1.00 0.00 0.00 62.75 63.27 1sfg n ILE 88 Cb 0.46 0.54 0.35 0.00 -0.71 0.00 0.00 39.64 40.29 1sfg n ILE 88 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1sfg h THR 89 N 2.62 0.62 0.04 1.39 2.02 -1.96 -2.36 112.91 115.28 1sfg h THR 89 Ca 0.00 -0.23 -0.31 0.00 0.77 0.00 0.00 66.41 66.64 1sfg h THR 89 Cb 0.96 -0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 1sfg h THR 89 CO 0.00 0.12 -1.73 0.00 0.37 0.00 0.00 175.52 174.28 1sfg h ALA 90 N 1.69 0.65 -0.37 6.16 0.00 -1.92 -3.40 119.26 122.06 1sfg h ALA 90 Ca 0.61 -1.41 0.11 0.00 0.00 0.00 0.00 54.91 54.22 1sfg h ALA 90 Cb 1.06 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1sfg h ALA 90 CO -0.43 1.48 0.50 0.77 0.00 0.00 0.00 179.25 181.57 1sfg h SER 91 N 0.02 0.00 0.83 0.00 0.02 -1.70 -0.28 113.55 112.44 1sfg h SER 91 Ca -0.30 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.55 1sfg h SER 91 Cb 2.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.54 1sfg h SER 91 CO 0.09 0.00 -0.47 0.58 -1.14 0.00 0.00 176.83 175.89 1sfg h VAL 92 N 0.00 1.05 -1.10 2.27 2.07 -1.78 -3.31 116.25 115.45 1sfg h VAL 92 Ca 0.17 -1.78 0.30 0.00 0.82 0.00 0.00 66.70 66.21 1sfg h VAL 92 Cb 1.16 2.05 -0.08 0.00 -1.52 0.00 0.00 31.29 32.90 1sfg h VAL 92 CO -0.00 0.46 0.74 0.78 0.02 0.00 0.00 177.57 179.56 1sfg h ASN 93 N 0.00 0.28 0.17 0.57 2.35 -1.35 0.48 115.58 118.09 1sfg h ASN 93 Ca -0.00 0.06 -0.28 0.00 -0.55 0.00 0.00 56.30 55.53 1sfg h ASN 93 Cb 1.01 0.02 0.02 0.00 0.05 0.00 0.00 38.32 39.41 1sfg h ASN 93 CO 0.06 0.04 -1.31 0.00 -1.65 0.00 0.00 177.43 174.57 1sfg h ALA 95 N 0.07 1.00 -0.43 0.00 0.00 -0.79 -2.59 119.26 116.52 1sfg h ALA 95 Ca -0.25 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1sfg h ALA 95 Cb 1.89 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 1sfg h ALA 95 CO 0.17 0.00 0.14 0.87 0.00 0.00 0.00 179.25 180.42 1sfg h LYS 96 N 0.00 0.63 -0.01 0.00 1.57 -0.21 -3.19 116.57 115.35 1sfg h LYS 96 Ca 0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1sfg h LYS 96 Cb 0.18 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1sfg h LYS 96 CO 0.00 0.55 0.00 1.63 -0.57 0.00 0.00 179.45 181.06 1sfg n LYS 97 N -4.34 -0.26 0.33 3.15 5.02 -1.03 -4.61 118.16 116.41 1sfg n LYS 97 Ca 0.03 -0.75 0.19 0.00 -2.02 0.00 0.00 58.31 55.76 1sfg n LYS 97 Cb 0.17 -1.05 1.01 0.00 -0.02 0.00 0.00 35.03 35.14 1sfg n LYS 97 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1sfg h ILE 98 N 0.46 0.03 0.08 -0.18 2.04 -1.46 2.67 117.51 121.15 1sfg h ILE 98 Ca 0.00 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.53 1sfg h ILE 98 Cb 0.15 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1sfg h ILE 98 CO 0.00 0.00 -1.84 0.58 0.00 0.00 0.00 178.15 176.89 1sfg h VAL 99 N 0.00 0.76 0.00 1.67 2.07 -1.78 -3.36 116.25 115.61 1sfg h VAL 99 Ca 0.01 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 65.01 1sfg h VAL 99 Cb 0.35 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1sfg h VAL 99 CO -0.00 0.74 0.16 -1.28 0.02 0.00 0.00 177.57 177.21 1sfg h SER 100 N 0.05 0.00 0.18 0.57 0.87 0.44 1.40 113.55 117.06 1sfg h SER 100 Ca -0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1sfg h SER 100 Cb 2.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.99 1sfg h SER 100 CO 0.09 0.00 0.00 -0.67 -0.53 0.00 0.00 176.83 175.72 1sfg n ASP 101 N -2.41 0.00 0.00 6.23 -0.08 -0.73 -4.86 116.55 114.70 1sfg n ASP 101 Ca -0.02 -0.38 0.00 0.00 -1.51 0.00 0.00 54.79 52.89 1sfg n ASP 101 Cb 0.19 -0.13 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1sfg n ASP 101 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sfg n GLY 102 N 0.43 0.74 0.36 0.27 0.00 0.48 -4.95 105.19 102.52 1sfg n GLY 102 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 1sfg n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sfg n ASN 103 N 0.00 1.60 0.00 1.61 6.94 -1.17 -5.07 115.26 119.17 1sfg n ASN 103 Ca 0.00 -1.25 0.00 0.00 -0.02 0.00 0.00 54.58 53.31 1sfg n ASN 103 Cb 0.00 0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.86 1sfg n ASN 103 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sfg n GLY 104 N 1.41 -0.71 0.00 4.83 0.00 -1.23 -3.13 105.19 106.36 1sfg n GLY 104 Ca 0.09 -1.15 0.08 0.00 0.00 0.00 0.00 46.02 45.04 1sfg n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sfg n MET 105 N 0.00 0.31 0.05 1.61 2.81 -1.26 -3.24 117.12 117.40 1sfg n MET 105 Ca 0.00 0.10 0.04 0.00 -1.81 0.00 0.00 57.70 56.03 1sfg n MET 105 Cb 0.00 -1.50 0.21 0.00 -0.71 0.00 0.00 33.22 31.22 1sfg n MET 105 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1sfg n ASN 106 N -1.20 0.18 0.06 7.83 5.15 -1.18 0.84 115.26 126.93 1sfg n ASN 106 Ca 0.09 0.58 -0.10 0.00 -0.60 0.00 0.00 54.58 54.55 1sfg n ASN 106 Cb 0.11 -0.61 -0.13 0.00 -0.53 0.00 0.00 39.78 38.62 1sfg n ASN 106 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sfg h ALA 107 N 2.06 0.33 -2.55 5.20 0.00 -1.76 -3.43 119.26 119.09 1sfg h ALA 107 Ca 0.00 -0.99 -0.52 0.00 0.00 0.00 0.00 54.91 53.40 1sfg h ALA 107 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1sfg h ALA 107 CO 0.00 1.21 0.12 -1.58 0.00 0.00 0.00 179.25 179.00 1sfg s TRP 108 N -2.67 3.69 -0.21 0.00 0.51 0.25 -5.01 118.94 115.49 1sfg s TRP 108 Ca -0.02 1.43 -0.03 0.00 -2.12 0.00 0.00 56.10 55.36 1sfg s TRP 108 Cb 0.09 -2.65 -0.12 0.00 -0.81 0.00 0.00 33.47 29.98 1sfg s TRP 108 CO 0.84 0.36 -0.22 0.28 -0.51 0.00 0.00 176.95 177.70 1sfg n VAL 109 N 0.85 1.17 -0.32 4.03 0.31 -1.26 -4.62 118.33 118.49 1sfg n VAL 109 Ca -0.03 -0.39 -0.02 0.00 -0.01 0.00 0.00 64.34 63.89 1sfg n VAL 109 Cb 0.51 -1.42 0.10 0.00 -0.91 0.00 0.00 33.84 32.12 1sfg n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sfg h ALA 110 N -0.28 1.14 0.00 3.52 0.00 -1.94 -2.23 119.26 119.47 1sfg h ALA 110 Ca -0.49 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1sfg h ALA 110 Cb 1.62 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1sfg h ALA 110 CO -0.16 0.47 0.04 2.35 0.00 0.00 0.00 179.25 181.94 1sfg h TRP 111 N 1.15 0.00 0.00 0.00 7.01 -1.92 0.65 115.95 122.84 1sfg h TRP 111 Ca 0.34 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.34 1sfg h TRP 111 Cb -0.06 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.00 1sfg h TRP 111 CO -0.01 0.00 -0.71 -0.09 -2.79 0.00 0.00 178.44 174.84 1sfg h ARG 112 N 0.00 0.00 0.00 2.65 2.43 -1.66 -1.78 114.38 116.03 1sfg h ARG 112 Ca 0.00 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.97 1sfg h ARG 112 Cb 0.08 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1sfg h ARG 112 CO 0.00 0.00 -1.62 0.09 -1.51 0.00 0.00 179.97 176.93 1sfg n ASN 113 N -2.70 0.92 0.08 -3.80 3.02 0.13 -4.12 115.26 108.80 1sfg n ASN 113 Ca 0.01 0.16 -0.08 0.00 -0.03 0.00 0.00 54.58 54.64 1sfg n ASN 113 Cb 0.53 -0.38 0.02 0.00 -0.61 0.00 0.00 39.78 39.34 1sfg n ASN 113 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1sfg h ARG 114 N -0.45 0.22 0.00 3.52 3.08 -0.19 -3.34 114.38 117.22 1sfg h ARG 114 Ca -0.30 -0.21 -0.15 0.00 0.07 0.00 0.00 59.98 59.38 1sfg h ARG 114 Cb 1.22 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.30 1sfg h ARG 114 CO -0.18 0.92 -1.81 0.00 -1.07 0.00 0.00 179.97 177.83 1sfg s LYS 116 N -2.55 4.58 0.00 0.00 2.20 -0.67 -2.79 119.74 120.51 1sfg s LYS 116 Ca -0.06 1.82 0.00 0.00 -0.36 0.00 0.00 55.97 57.37 1sfg s LYS 116 Cb 0.06 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 1sfg s LYS 116 CO 0.55 0.09 0.00 0.41 -0.36 0.00 0.00 175.35 176.04 1sfg n GLY 117 N 1.65 0.59 2.67 5.54 0.00 -1.26 -4.66 105.19 109.72 1sfg n GLY 117 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1sfg n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sfg n THR 118 N -2.66 0.00 -3.39 2.61 -2.24 -1.12 -5.09 114.28 102.39 1sfg n THR 118 Ca 0.00 -1.81 -0.44 0.00 -2.27 0.00 0.00 64.05 59.52 1sfg n THR 118 Cb 0.03 0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 68.68 1sfg n THR 118 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1sfg s ASP 119 N -3.03 6.08 0.23 3.42 -4.77 -1.26 -4.81 116.67 112.53 1sfg s ASP 119 Ca 0.06 -1.92 0.03 0.00 -3.30 0.00 0.00 52.55 47.42 1sfg s ASP 119 Cb 0.00 -2.15 0.22 0.00 -1.09 0.00 0.00 42.92 39.91 1sfg s ASP 119 CO 0.04 -0.78 1.55 0.58 0.70 0.00 0.00 175.17 177.26 1sfg h VAL 120 N 5.86 1.37 0.00 2.11 2.07 -1.92 -2.75 116.25 122.99 1sfg h VAL 120 Ca -0.24 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.36 1sfg h VAL 120 Cb 1.08 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1sfg h VAL 120 CO 0.96 0.58 0.12 1.56 0.02 0.00 0.00 177.57 180.81 1sfg h GLN 121 N 0.23 0.00 -0.24 1.57 1.08 -1.88 1.49 115.11 117.37 1sfg h GLN 121 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1sfg h GLN 121 Cb 1.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 1sfg h GLN 121 CO 0.10 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.98 1sfg n ALA 122 N -1.92 2.48 -0.06 3.87 0.00 -1.04 -4.03 120.51 119.81 1sfg n ALA 122 Ca -0.02 -0.70 -0.21 0.00 0.00 0.00 0.00 53.44 52.51 1sfg n ALA 122 Cb 0.17 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 18.50 1sfg n ALA 122 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1sfg n TRP 123 N 0.81 0.74 1.69 0.00 7.02 0.51 -4.12 117.44 124.09 1sfg n TRP 123 Ca 0.17 0.17 0.14 0.00 -1.02 0.00 0.00 57.50 56.96 1sfg n TRP 123 Cb 0.45 -1.09 0.82 0.00 -2.42 0.00 0.00 31.31 29.06 1sfg n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1sfg n ILE 124 N -3.51 0.02 -2.20 -0.99 -5.35 -1.22 -4.86 119.36 101.25 1sfg n ILE 124 Ca -0.38 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 61.69 1sfg n ILE 124 Cb 0.99 -0.56 -0.03 0.00 -1.74 0.00 0.00 39.64 38.30 1sfg n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1sfg s ARG 125 N -2.09 4.37 0.00 6.28 0.52 -1.26 -3.45 118.95 123.33 1sfg s ARG 125 Ca 0.40 2.08 0.00 0.00 -0.52 0.00 0.00 55.73 57.69 1sfg s ARG 125 Cb 0.19 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 32.47 1sfg s ARG 125 CO 0.34 -0.27 0.00 0.41 0.02 0.00 0.00 175.30 175.80 1sfg n GLY 126 N 2.38 2.85 3.72 -3.53 0.00 -1.26 -5.04 105.19 104.31 1sfg n GLY 126 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1sfg n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfg s ARG 128 N 0.31 4.26 0.00 0.00 3.52 -1.26 -5.13 118.95 120.66 1sfg s ARG 128 Ca 0.47 1.96 0.00 0.00 -0.13 0.00 0.00 55.73 58.03 1sfg s ARG 128 Cb -0.22 -3.65 0.00 0.00 -1.56 0.00 0.00 34.95 29.52 1sfg s ARG 128 CO 0.28 -0.62 0.00 1.28 -0.81 0.00 0.00 175.30 175.42