#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 n GLU 5 N 0.00 -5.29 -3.45 0.00 1.02 -1.26 -5.04 120.64 106.62 1s72 n GLU 5 Ca 0.00 3.78 -0.20 0.00 -0.02 0.00 0.00 57.16 60.72 1s72 n GLU 5 Cb 0.00 -4.44 -0.11 0.00 -0.02 0.00 0.00 31.44 26.87 1s72 n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1s72 s PHE 6 N -0.55 -0.27 -0.94 -0.32 5.36 -1.26 -5.06 117.98 114.94 1s72 s PHE 6 Ca 0.00 -0.23 -0.27 0.00 -0.96 0.00 0.00 56.93 55.47 1s72 s PHE 6 Cb 0.00 -0.53 -0.23 0.00 -0.34 0.00 0.00 43.02 41.92 1s72 s PHE 6 CO 0.00 -0.84 2.01 -0.25 -1.46 0.00 0.00 175.22 174.68 1s72 n ASP 7 N 5.30 1.58 -4.70 6.13 8.00 -1.26 -4.88 116.55 126.72 1s72 n ASP 7 Ca -0.04 -2.53 -0.41 0.00 0.71 0.00 0.00 54.79 52.52 1s72 n ASP 7 Cb 0.46 -1.54 -0.04 0.00 -0.02 0.00 0.00 41.12 39.98 1s72 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s72 s ALA 8 N 14.68 3.36 -0.19 2.24 0.00 -1.26 -4.83 121.76 135.76 1s72 s ALA 8 Ca 0.77 0.25 0.29 0.00 0.00 0.00 0.00 51.96 53.27 1s72 s ALA 8 Cb -0.01 -3.22 0.92 0.00 0.00 0.00 0.00 23.12 20.80 1s72 s ALA 8 CO 0.20 -0.39 1.81 -0.44 0.00 0.00 0.00 175.76 176.94 1s72 h ASP 9 N 7.01 0.00 -3.50 0.00 3.32 -1.28 -3.43 116.42 118.53 1s72 h ASP 9 Ca -0.36 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.49 1s72 h ASP 9 Cb 1.17 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.43 1s72 h ASP 9 CO 0.80 0.00 -0.51 -0.69 -1.72 0.00 0.00 179.24 177.12 1s72 s VAL 10 N -3.44 -0.03 -0.27 -1.35 1.01 -0.98 -4.99 120.40 110.36 1s72 s VAL 10 Ca 0.04 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1s72 s VAL 10 Cb 0.08 -0.33 0.05 0.00 0.00 0.00 0.00 36.38 36.18 1s72 s VAL 10 CO 0.59 0.05 -0.07 -0.63 0.00 0.00 0.00 175.10 175.03 1s72 s ILE 11 N 0.91 2.54 -0.12 2.22 1.01 -1.26 -1.66 121.20 124.84 1s72 s ILE 11 Ca -0.07 -1.47 -0.09 0.00 0.00 0.00 0.00 60.65 59.02 1s72 s ILE 11 Cb -0.08 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1s72 s ILE 11 CO -0.05 -0.02 0.19 -0.69 0.00 0.00 0.00 174.94 174.37 1s72 s VAL 12 N 1.18 5.40 -0.35 2.92 1.01 0.84 -0.44 120.40 130.95 1s72 s VAL 12 Ca -0.06 0.33 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 1s72 s VAL 12 Cb -0.19 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1s72 s VAL 12 CO -0.04 0.56 0.28 -0.62 0.00 0.00 0.00 175.10 175.28 1s72 s ASP 13 N -0.63 6.09 0.00 3.32 -1.08 -0.29 0.52 116.67 124.59 1s72 s ASP 13 Ca 0.15 -0.48 0.27 0.00 -0.52 0.00 0.00 52.55 51.97 1s72 s ASP 13 Cb -0.13 -2.15 0.85 0.00 -1.46 0.00 0.00 42.92 40.03 1s72 s ASP 13 CO 0.04 -0.30 1.65 0.00 0.52 0.00 0.00 175.17 177.08 1s72 n ALA 14 N 5.17 3.03 -1.67 3.66 0.00 -0.25 -4.73 120.51 125.71 1s72 n ALA 14 Ca -0.12 -0.26 -0.53 0.00 0.00 0.00 0.00 53.44 52.54 1s72 n ALA 14 Cb 0.49 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 18.62 1s72 n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1s72 n ARG 15 N -1.41 1.51 -2.22 0.00 0.63 -1.26 -1.05 116.66 112.87 1s72 n ARG 15 Ca 0.07 0.55 -0.21 0.00 -0.92 0.00 0.00 57.85 57.35 1s72 n ARG 15 Cb 0.33 -2.27 -0.03 0.00 0.45 0.00 0.00 32.46 30.94 1s72 n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1s72 n ASP 16 N 4.89 -5.77 -4.51 6.15 9.92 -0.20 -4.94 116.55 122.10 1s72 n ASP 16 Ca 0.23 0.10 -0.27 0.00 -0.53 0.00 0.00 54.79 54.31 1s72 n ASP 16 Cb 0.20 -4.84 -0.10 0.00 -0.64 0.00 0.00 41.12 35.73 1s72 n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1s72 s ILE 18 N -1.60 3.65 0.18 0.00 1.01 0.15 -0.85 121.20 123.74 1s72 s ILE 18 Ca 0.22 0.49 -0.12 0.00 0.00 0.00 0.00 60.65 61.25 1s72 s ILE 18 Cb -0.09 -4.39 0.21 0.00 0.01 0.00 0.00 42.46 38.20 1s72 s ILE 18 CO 0.13 -1.23 1.17 0.80 0.00 0.00 0.00 174.94 175.81 1s72 n MET 19 N 8.94 -0.16 -0.31 2.79 0.00 -0.75 -0.64 117.12 126.99 1s72 n MET 19 Ca 0.13 1.16 -0.04 0.00 -0.00 0.00 0.00 57.70 58.95 1s72 n MET 19 Cb 0.50 -1.73 0.08 0.00 0.00 0.00 0.00 33.22 32.06 1s72 n MET 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1s72 h GLY 20 N 0.00 1.25 2.00 -5.12 0.00 -1.90 0.93 103.07 100.23 1s72 h GLY 20 Ca 0.28 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 1s72 h GLY 20 CO -0.75 0.54 -0.47 3.21 0.00 0.00 0.00 176.54 179.07 1s72 h ARG 21 N 1.17 0.00 0.04 4.80 3.08 -1.25 -0.39 114.38 121.82 1s72 h ARG 21 Ca 0.30 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.34 1s72 h ARG 21 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1s72 h ARG 21 CO -0.05 0.47 -0.02 0.28 -1.07 0.00 0.00 179.97 179.59 1s72 h VAL 22 N 0.00 1.36 -0.58 2.04 2.07 -1.03 -3.10 116.25 117.01 1s72 h VAL 22 Ca -0.00 -1.70 0.11 0.00 0.82 0.00 0.00 66.70 65.93 1s72 h VAL 22 Cb 0.92 2.42 -0.08 0.00 -1.52 0.00 0.00 31.29 33.02 1s72 h VAL 22 CO 0.06 0.40 0.10 0.00 0.02 0.00 0.00 177.57 178.16 1s72 h ALA 23 N -0.02 0.66 -0.80 1.67 0.00 -0.74 0.28 119.26 120.31 1s72 h ALA 23 Ca -0.00 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1s72 h ALA 23 Cb 0.70 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1s72 h ALA 23 CO 0.01 -0.32 0.52 1.03 0.00 0.00 0.00 179.25 180.49 1s72 h SER 24 N 0.23 0.72 0.26 0.00 0.87 -1.14 0.14 113.55 114.63 1s72 h SER 24 Ca 0.30 0.01 -0.34 0.00 -1.23 0.00 0.00 61.79 60.53 1s72 h SER 24 Cb 0.45 -0.14 0.04 0.00 -0.44 0.00 0.00 62.40 62.30 1s72 h SER 24 CO -0.40 0.45 -1.49 1.56 -0.53 0.00 0.00 176.83 176.42 1s72 h GLN 25 N 0.81 0.55 -0.16 2.24 4.20 -0.91 -2.73 115.11 119.10 1s72 h GLN 25 Ca 0.36 -0.94 -0.04 0.00 0.06 0.00 0.00 58.65 58.09 1s72 h GLN 25 Cb 0.33 0.35 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1s72 h GLN 25 CO -0.13 1.45 -0.07 0.28 -0.67 0.00 0.00 178.83 179.69 1s72 h VAL 26 N 0.15 1.15 0.38 -0.54 2.07 -0.15 -0.71 116.25 118.60 1s72 h VAL 26 Ca -0.26 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 1s72 h VAL 26 Cb 2.18 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1s72 h VAL 26 CO 0.28 0.20 -0.18 0.00 0.02 0.00 0.00 177.57 177.89 1s72 h ALA 27 N 1.70 -0.51 -0.61 1.67 0.00 -0.75 -1.50 119.26 119.25 1s72 h ALA 27 Ca 0.05 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.90 1s72 h ALA 27 Cb 0.28 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 1s72 h ALA 27 CO 0.01 -0.62 0.08 1.49 0.00 0.00 0.00 179.25 180.21 1s72 h GLU 28 N -0.84 0.19 -0.50 0.00 4.57 -1.21 -1.93 114.58 114.86 1s72 h GLU 28 Ca -0.05 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.00 1s72 h GLU 28 Cb 0.54 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 1s72 h GLU 28 CO 0.09 0.13 -0.13 1.96 -1.18 0.00 0.00 179.01 179.87 1s72 h GLN 29 N 0.20 0.95 -0.13 1.92 4.20 -1.10 -2.84 115.11 118.31 1s72 h GLN 29 Ca 0.32 -0.35 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 1s72 h GLN 29 Cb 0.51 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1s72 h GLN 29 CO -0.46 1.02 -0.22 0.00 -0.67 0.00 0.00 178.83 178.50 1s72 h ALA 30 N 1.00 1.40 0.00 3.87 0.00 -0.74 -1.02 119.26 123.76 1s72 h ALA 30 Ca 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1s72 h ALA 30 Cb 0.68 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1s72 h ALA 30 CO 0.05 0.42 0.00 1.28 0.00 0.00 0.00 179.25 181.00 1s72 n LEU 31 N -4.20 0.00 -1.16 0.00 4.77 -0.77 -1.99 117.00 113.64 1s72 n LEU 31 Ca -0.01 0.44 0.12 0.00 -0.03 0.00 0.00 56.01 56.53 1s72 n LEU 31 Cb 0.33 -0.44 0.26 0.00 -2.33 0.00 0.00 43.42 41.23 1s72 n LEU 31 CO 0.39 -0.07 0.73 0.47 -1.33 0.00 0.00 177.39 177.57 1s72 n ASP 32 N -1.44 3.43 0.00 -1.43 8.00 -0.46 -4.93 116.55 119.72 1s72 n ASP 32 Ca 0.07 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.60 1s72 n ASP 32 Cb 0.26 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1s72 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s72 n GLY 33 N 1.52 0.48 3.77 0.44 0.00 -0.84 -5.07 105.19 105.48 1s72 n GLY 33 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1s72 n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s72 s GLU 34 N -0.90 4.67 -0.27 1.61 0.41 -0.79 -4.99 118.70 118.43 1s72 s GLU 34 Ca 0.00 1.42 -0.15 0.00 -0.41 0.00 0.00 54.97 55.84 1s72 s GLU 34 Cb 0.00 -2.98 -0.04 0.00 -1.78 0.00 0.00 34.13 29.33 1s72 s GLU 34 CO 0.00 0.34 0.36 0.99 -0.49 0.00 0.00 175.26 176.46 1s72 s THR 35 N -1.43 5.18 0.04 3.63 2.01 -1.26 -4.11 115.64 119.70 1s72 s THR 35 Ca 0.47 0.51 0.09 0.00 0.31 0.00 0.00 61.69 63.07 1s72 s THR 35 Cb -0.22 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 1s72 s THR 35 CO 0.28 0.15 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.43 1s72 s VAL 36 N 2.05 2.32 -0.09 3.82 1.01 -0.45 -0.76 120.40 128.30 1s72 s VAL 36 Ca 0.14 -1.33 0.02 0.00 0.00 0.00 0.00 61.98 60.81 1s72 s VAL 36 Cb -0.16 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.31 1s72 s VAL 36 CO 0.10 0.36 -0.13 0.00 0.00 0.00 0.00 175.10 175.43 1s72 s ALA 37 N -0.83 1.48 -0.24 5.51 0.00 -0.66 -1.57 121.76 125.45 1s72 s ALA 37 Ca 0.12 -0.58 -0.09 0.00 0.00 0.00 0.00 51.96 51.41 1s72 s ALA 37 Cb -0.10 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1s72 s ALA 37 CO 0.03 -0.03 0.11 0.08 0.00 0.00 0.00 175.76 175.95 1s72 s VAL 38 N 0.93 4.86 0.10 0.00 1.01 -0.37 -0.11 120.40 126.80 1s72 s VAL 38 Ca -0.09 0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1s72 s VAL 38 Cb -0.15 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1s72 s VAL 38 CO 0.00 0.35 0.11 -0.69 0.00 0.00 0.00 175.10 174.87 1s72 s VAL 39 N 1.25 4.63 -1.32 2.92 1.01 0.18 0.77 120.40 129.85 1s72 s VAL 39 Ca 0.06 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1s72 s VAL 39 Cb -0.14 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1s72 s VAL 39 CO 0.05 0.06 1.04 0.59 0.00 0.00 0.00 175.10 176.84 1s72 n ASN 40 N 0.22 -4.01 -0.34 3.32 3.02 0.80 -1.09 115.26 117.17 1s72 n ASN 40 Ca -0.08 -0.63 0.04 0.00 -0.03 0.00 0.00 54.58 53.88 1s72 n ASN 40 Cb 0.52 -4.81 0.20 0.00 -0.61 0.00 0.00 39.78 35.08 1s72 n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s72 h ALA 41 N 0.95 1.37 -0.07 5.41 0.00 -1.58 -0.29 119.26 125.05 1s72 h ALA 41 Ca -0.58 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.36 1s72 h ALA 41 Cb 1.36 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1s72 h ALA 41 CO 0.55 0.25 0.18 1.05 0.00 0.00 0.00 179.25 181.28 1s72 h GLU 42 N 0.98 0.00 -0.68 0.00 9.09 -1.86 0.35 114.58 122.47 1s72 h GLU 42 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.86 1s72 h GLU 42 Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.46 1s72 h GLU 42 CO -0.23 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.37 1s72 n ARG 43 N -3.27 2.89 -1.49 1.06 1.74 -0.13 -1.30 116.66 116.16 1s72 n ARG 43 Ca -0.01 -2.63 -0.30 0.00 -0.77 0.00 0.00 57.85 54.14 1s72 n ARG 43 Cb 0.27 -1.58 0.11 0.00 -1.02 0.00 0.00 32.46 30.23 1s72 n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s72 s ALA 44 N -1.13 2.02 0.05 7.54 0.00 0.11 -1.03 121.76 129.32 1s72 s ALA 44 Ca 0.46 -0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 1s72 s ALA 44 Cb 0.25 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 1s72 s ALA 44 CO 0.30 -1.96 0.04 0.54 0.00 0.00 0.00 175.76 174.68 1s72 s VAL 45 N -3.14 0.17 -0.04 0.00 0.11 -0.03 -1.78 120.40 115.68 1s72 s VAL 45 Ca 0.62 -1.36 0.01 0.00 -2.93 0.00 0.00 61.98 58.32 1s72 s VAL 45 Cb -0.15 -1.10 0.02 0.00 -1.53 0.00 0.00 36.38 33.63 1s72 s VAL 45 CO 0.55 -0.75 -0.03 -0.51 -3.33 0.00 0.00 175.10 171.03 1s72 s ILE 46 N -3.09 0.40 0.69 7.04 2.07 -0.75 -1.81 121.20 125.75 1s72 s ILE 46 Ca -0.01 -0.05 -0.13 0.00 -1.41 0.00 0.00 60.65 59.05 1s72 s ILE 46 Cb 0.02 -0.45 0.01 0.00 0.13 0.00 0.00 42.46 42.18 1s72 s ILE 46 CO -0.07 0.19 1.09 -0.89 -1.91 0.00 0.00 174.94 173.35 1s72 s THR 47 N 0.92 3.43 -1.57 4.00 2.01 -1.26 -1.57 115.64 121.60 1s72 s THR 47 Ca -0.11 0.58 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1s72 s THR 47 Cb -0.14 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.26 1s72 s THR 47 CO -0.00 -0.50 0.00 0.61 -0.69 0.00 0.00 174.62 174.04 1s72 n GLY 48 N -0.96 0.79 3.58 4.40 0.00 -0.52 -4.88 105.19 107.61 1s72 n GLY 48 Ca 0.09 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 1s72 n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s72 s ARG 49 N -0.89 3.63 0.35 1.61 3.52 -1.26 -2.77 118.95 123.14 1s72 s ARG 49 Ca 0.00 0.31 0.14 0.00 -0.13 0.00 0.00 55.73 56.06 1s72 s ARG 49 Cb 0.00 -3.89 1.13 0.00 -1.56 0.00 0.00 34.95 30.62 1s72 s ARG 49 CO 0.00 -1.18 1.60 1.49 -0.81 0.00 0.00 175.30 176.40 1s72 h GLU 50 N 8.96 0.08 -0.48 5.12 4.81 -1.94 -0.41 114.58 130.72 1s72 h GLU 50 Ca -0.24 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1s72 h GLU 50 Cb 1.07 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1s72 h GLU 50 CO 1.03 0.05 0.31 0.93 -0.73 0.00 0.00 179.01 180.61 1s72 h GLU 51 N 0.09 0.64 -0.06 1.92 3.07 -1.99 -0.42 114.58 117.82 1s72 h GLU 51 Ca 0.75 -0.04 -0.25 0.00 -0.50 0.00 0.00 59.36 59.32 1s72 h GLU 51 Cb 1.84 -0.14 0.02 0.00 -0.84 0.00 0.00 28.75 29.62 1s72 h GLU 51 CO -0.76 0.44 -0.95 -0.56 -1.40 0.00 0.00 179.01 175.78 1s72 h GLN 52 N 0.65 0.74 -0.22 2.33 -0.00 -1.52 -2.50 115.11 114.59 1s72 h GLN 52 Ca 0.18 -0.72 0.04 0.00 -0.00 0.00 0.00 58.65 58.15 1s72 h GLN 52 Cb -0.06 0.19 -0.04 0.00 -0.00 0.00 0.00 27.48 27.56 1s72 h GLN 52 CO -0.04 1.30 -0.06 0.82 -0.00 0.00 0.00 178.83 180.86 1s72 h ILE 53 N 0.46 0.77 -0.44 1.86 2.04 -1.20 -1.87 117.51 119.12 1s72 h ILE 53 Ca -0.10 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 1s72 h ILE 53 Cb 1.59 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1s72 h ILE 53 CO 0.19 0.00 0.06 0.58 0.00 0.00 0.00 178.15 178.97 1s72 h VAL 54 N -0.00 1.21 -0.58 1.67 2.07 -1.11 -2.64 116.25 116.87 1s72 h VAL 54 Ca 0.11 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.81 1s72 h VAL 54 Cb 0.16 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1s72 h VAL 54 CO -0.23 0.29 0.38 -0.33 0.02 0.00 0.00 177.57 177.71 1s72 h GLU 55 N 0.66 0.76 0.18 1.57 5.08 -0.89 0.06 114.58 122.00 1s72 h GLU 55 Ca 0.14 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1s72 h GLU 55 Cb 0.33 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1s72 h GLU 55 CO 0.01 0.50 -0.20 -0.22 -1.00 0.00 0.00 179.01 178.10 1s72 h LYS 56 N 0.78 -0.40 -0.46 2.33 3.64 -1.03 0.65 116.57 122.08 1s72 h LYS 56 Ca 0.21 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.56 1s72 h LYS 56 Cb -0.08 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1s72 h LYS 56 CO -0.05 -0.27 0.03 1.88 -2.27 0.00 0.00 179.45 178.78 1s72 h TYR 57 N -0.41 0.77 -0.42 1.91 -1.99 -1.34 -2.12 116.97 113.37 1s72 h TYR 57 Ca 0.01 -0.09 -0.07 0.00 2.00 0.00 0.00 58.73 60.57 1s72 h TYR 57 Cb 0.40 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 38.89 1s72 h TYR 57 CO -0.16 0.70 -0.05 0.93 -0.00 0.00 0.00 178.16 179.58 1s72 h GLU 58 N 0.69 0.70 -0.67 4.88 5.08 -0.67 -2.09 114.58 122.50 1s72 h GLU 58 Ca 0.14 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1s72 h GLU 58 Cb 0.38 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1s72 h GLU 58 CO 0.01 0.75 0.31 -0.22 -1.00 0.00 0.00 179.01 178.86 1s72 h LYS 59 N 0.65 0.97 -0.39 2.33 1.63 -0.25 -1.90 116.57 119.61 1s72 h LYS 59 Ca 0.12 -0.15 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1s72 h LYS 59 Cb 0.48 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 1s72 h LYS 59 CO 0.02 0.78 0.18 0.00 -3.45 0.00 0.00 179.45 176.98 1s72 h ARG 60 N 0.93 0.54 -0.15 1.90 3.08 -0.78 -0.67 114.38 119.23 1s72 h ARG 60 Ca 0.23 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 1s72 h ARG 60 Cb 0.13 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1s72 h ARG 60 CO -0.03 0.44 -0.06 0.28 -1.07 0.00 0.00 179.97 179.53 1s72 h VAL 61 N 0.55 1.30 -0.09 2.04 2.07 -0.91 -3.20 116.25 118.01 1s72 h VAL 61 Ca 0.14 -1.06 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 1s72 h VAL 61 Cb 0.08 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1s72 h VAL 61 CO -0.02 0.31 -0.27 0.44 0.02 0.00 0.00 177.57 178.05 1s72 h ASP 62 N -0.00 0.16 -4.11 0.57 3.32 -0.80 -3.45 116.42 112.11 1s72 h ASP 62 Ca 0.04 -0.05 -0.56 0.00 0.02 0.00 0.00 57.03 56.48 1s72 h ASP 62 Cb 0.51 -0.04 0.16 0.00 0.22 0.00 0.00 39.33 40.18 1s72 h ASP 62 CO 0.02 0.44 0.52 -0.63 -1.72 0.00 0.00 179.24 177.86 1s72 s ILE 63 N -4.42 2.02 -5.00 0.35 1.01 -0.31 -4.93 121.20 109.91 1s72 s ILE 63 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.62 1s72 s ILE 63 Cb 0.15 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.61 1s72 s ILE 63 CO 0.74 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.29 1s72 n GLY 64 N 0.91 -0.20 0.00 6.18 0.00 -1.26 -4.63 105.19 106.19 1s72 n GLY 64 Ca 0.16 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1s72 n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1s72 n ASN 65 N 3.00 0.00 -0.36 1.61 0.23 -1.26 -4.92 115.26 113.56 1s72 n ASN 65 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 54.03 1s72 n ASN 65 Cb 0.00 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 37.80 1s72 n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1s72 h ASP 66 N 0.00 1.11 -0.32 0.53 3.32 -2.05 0.31 116.42 119.32 1s72 h ASP 66 Ca 0.00 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1s72 h ASP 66 Cb 0.00 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 1s72 h ASP 66 CO 0.00 0.80 0.06 -1.13 -1.72 0.00 0.00 179.24 177.25 1s72 h ASN 67 N 1.31 0.57 -4.03 6.45 -0.73 -2.05 -3.48 115.58 113.61 1s72 h ASN 67 Ca 0.35 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.43 1s72 h ASN 67 Cb -0.15 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.29 1s72 h ASN 67 CO -0.08 0.60 0.00 0.61 -0.37 0.00 0.00 177.43 178.19 1s72 n GLY 68 N -0.93 -0.37 2.40 1.57 0.00 0.10 -4.99 105.19 102.97 1s72 n GLY 68 Ca 0.02 -1.49 -0.24 0.00 0.00 0.00 0.00 46.02 44.32 1s72 n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1s72 n TYR 69 N 0.27 -1.19 -2.09 1.61 9.36 -1.26 -4.78 117.16 119.07 1s72 n TYR 69 Ca 0.00 -3.12 -0.39 0.00 3.32 0.00 0.00 57.90 57.71 1s72 n TYR 69 Cb 0.00 0.31 -0.03 0.00 -0.63 0.00 0.00 39.34 38.99 1s72 n TYR 69 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 1s72 s PHE 70 N -0.06 1.76 -0.16 2.98 5.36 -1.26 -4.77 117.98 121.83 1s72 s PHE 70 Ca 0.33 0.70 -0.04 0.00 -0.96 0.00 0.00 56.93 56.96 1s72 s PHE 70 Cb 0.06 -4.15 -0.03 0.00 -0.34 0.00 0.00 43.02 38.57 1s72 s PHE 70 CO -0.17 -2.33 -0.03 -0.47 -1.46 0.00 0.00 175.22 170.76 1s72 s TYR 71 N 8.43 3.03 0.48 10.12 5.04 -1.26 -5.09 117.35 138.08 1s72 s TYR 71 Ca 0.65 -0.33 -0.23 0.00 -2.44 0.00 0.00 57.07 54.73 1s72 s TYR 71 Cb -0.13 -1.97 -0.07 0.00 0.35 0.00 0.00 41.96 40.14 1s72 s TYR 71 CO 0.22 -0.07 1.27 -1.25 -1.34 0.00 0.00 175.55 174.38 1s72 s PRO 72 N 0.45 3.59 -0.16 4.97 0.04 -1.26 -4.88 135.00 137.75 1s72 s PRO 72 Ca -0.03 2.03 0.08 0.00 0.04 0.00 0.00 61.00 63.12 1s72 s PRO 72 Cb -0.14 -2.44 -0.15 0.00 0.04 0.00 0.00 34.50 31.81 1s72 s PRO 72 CO 0.03 -0.76 -0.04 1.63 0.04 0.00 0.00 177.00 177.90 1s72 n LYS 73 N -0.54 1.18 -2.35 4.56 5.02 -1.26 -4.60 118.16 120.17 1s72 n LYS 73 Ca 0.08 0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 56.05 1s72 n LYS 73 Cb 0.46 -1.37 -0.01 0.00 -0.02 0.00 0.00 35.03 34.09 1s72 n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1s72 s ARG 74 N -2.36 3.58 0.65 1.97 1.81 -1.26 -4.25 118.95 119.09 1s72 s ARG 74 Ca -0.14 1.57 0.42 0.00 -1.72 0.00 0.00 55.73 55.86 1s72 s ARG 74 Cb 0.05 -2.13 2.27 0.00 -0.45 0.00 0.00 34.95 34.69 1s72 s ARG 74 CO 0.52 -0.65 2.32 -1.00 -0.68 0.00 0.00 175.30 175.81 1s72 h PRO 75 N 1.51 0.00 0.00 3.54 0.13 -1.94 -1.84 132.00 133.41 1s72 h PRO 75 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1s72 h PRO 75 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1s72 h PRO 75 CO 0.58 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.89 1s72 n ASP 76 N -3.16 0.00 -0.15 1.44 -0.08 -1.26 -2.66 116.55 110.67 1s72 n ASP 76 Ca -0.03 0.95 -0.09 0.00 -1.51 0.00 0.00 54.79 54.12 1s72 n ASP 76 Cb 0.10 -0.45 0.04 0.00 2.34 0.00 0.00 41.12 43.15 1s72 n ASP 76 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1s72 h GLY 77 N 0.00 1.03 -0.23 0.27 0.00 -1.87 -2.91 103.07 99.36 1s72 h GLY 77 Ca 0.00 -0.84 0.11 0.00 0.00 0.00 0.00 47.33 46.60 1s72 h GLY 77 CO 0.00 0.77 -0.20 -2.22 0.00 0.00 0.00 176.54 174.89 1s72 h ILE 78 N 0.84 0.34 -0.57 2.60 1.08 -1.40 0.54 117.51 120.95 1s72 h ILE 78 Ca 0.13 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.56 1s72 h ILE 78 Cb 0.69 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 1s72 h ILE 78 CO 0.05 0.00 0.20 0.15 -0.69 0.00 0.00 178.15 177.86 1s72 h PHE 79 N -0.06 0.90 -0.58 1.37 -0.00 -1.49 -1.03 116.94 116.06 1s72 h PHE 79 Ca 0.27 -0.08 -0.10 0.00 -0.00 0.00 0.00 57.97 58.06 1s72 h PHE 79 Cb 0.47 -0.26 -0.02 0.00 -0.00 0.00 0.00 35.95 36.14 1s72 h PHE 79 CO -0.52 0.74 -0.03 -0.22 -0.00 0.00 0.00 178.31 178.28 1s72 h LYS 80 N 0.79 1.03 -0.43 1.11 3.64 -0.81 -1.73 116.57 120.17 1s72 h LYS 80 Ca 0.19 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 59.16 1s72 h LYS 80 Cb 0.25 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1s72 h LYS 80 CO -0.01 1.03 -0.00 -0.09 -2.27 0.00 0.00 179.45 178.10 1s72 h ARG 81 N 0.93 0.70 -0.91 1.90 9.65 0.18 -0.52 114.38 126.32 1s72 h ARG 81 Ca 0.16 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1s72 h ARG 81 Cb 0.59 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 29.04 1s72 h ARG 81 CO 0.04 0.72 0.55 1.15 2.80 0.00 0.00 179.97 185.22 1s72 h THR 82 N 0.66 1.25 -0.23 0.20 2.02 -0.64 -1.92 112.91 114.25 1s72 h THR 82 Ca 0.13 -0.56 -0.10 0.00 0.77 0.00 0.00 66.41 66.65 1s72 h THR 82 Cb 0.41 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1s72 h THR 82 CO 0.02 0.27 -0.26 0.40 0.37 0.00 0.00 175.52 176.32 1s72 h ILE 83 N 1.26 1.32 -0.71 3.11 2.04 -0.70 -3.04 117.51 120.79 1s72 h ILE 83 Ca 0.33 -1.43 0.16 0.00 1.00 0.00 0.00 64.86 64.92 1s72 h ILE 83 Cb -0.05 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 1s72 h ILE 83 CO -0.06 0.45 0.49 -0.09 0.00 0.00 0.00 178.15 178.93 1s72 h ARG 84 N 0.28 0.26 0.00 2.37 2.43 -0.62 0.37 114.38 119.46 1s72 h ARG 84 Ca 0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1s72 h ARG 84 Cb 0.82 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1s72 h ARG 84 CO 0.06 0.17 0.00 0.41 -1.51 0.00 0.00 179.97 179.10 1s72 n GLY 85 N -1.57 -1.17 1.17 2.80 0.00 -0.77 -2.09 105.19 103.56 1s72 n GLY 85 Ca 0.14 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1s72 n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1s72 n MET 86 N -1.89 3.35 -4.15 1.61 2.81 0.13 -4.95 117.12 114.03 1s72 n MET 86 Ca 0.03 -2.68 -0.15 0.00 -1.81 0.00 0.00 57.70 53.08 1s72 n MET 86 Cb 0.21 -1.74 -0.12 0.00 -0.71 0.00 0.00 33.22 30.86 1s72 n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1s72 s LEU 87 N -1.95 2.19 -1.48 4.03 1.43 -0.89 -4.87 118.68 117.15 1s72 s LEU 87 Ca 0.42 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 52.95 1s72 s LEU 87 Cb 0.28 -0.30 0.02 0.00 0.03 0.00 0.00 46.19 46.22 1s72 s LEU 87 CO 0.18 -0.09 2.43 -0.81 0.23 0.00 0.00 176.35 178.28 1s72 n PRO 88 N 1.82 3.34 0.06 1.29 -0.04 -1.26 -4.74 135.00 135.46 1s72 n PRO 88 Ca -0.20 -2.65 0.03 0.00 -0.04 0.00 0.00 63.50 60.64 1s72 n PRO 88 Cb 0.55 -3.05 0.18 0.00 -0.04 0.00 0.00 33.50 31.14 1s72 n PRO 88 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1s72 n HIS 89 N 4.73 0.22 0.86 0.54 1.44 -1.26 -1.31 115.22 120.43 1s72 n HIS 89 Ca 0.60 0.11 0.11 0.00 -2.01 0.00 0.00 57.72 56.53 1s72 n HIS 89 Cb 0.33 -0.59 0.05 0.00 0.12 0.00 0.00 29.99 29.90 1s72 n HIS 89 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1s72 n LYS 90 N -1.68 0.10 -2.85 -1.40 5.02 -1.26 -3.68 118.16 112.40 1s72 n LYS 90 Ca -0.00 -0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.01 1s72 n LYS 90 Cb 0.11 -1.53 -0.01 0.00 -0.02 0.00 0.00 35.03 33.59 1s72 n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1s72 s LYS 91 N -3.07 3.56 0.10 1.97 1.02 -0.43 -4.91 119.74 117.99 1s72 s LYS 91 Ca 0.08 0.11 -0.29 0.00 0.02 0.00 0.00 55.97 55.89 1s72 s LYS 91 Cb 0.16 -2.45 -0.11 0.00 -0.52 0.00 0.00 37.83 34.91 1s72 s LYS 91 CO 0.79 -0.09 1.62 0.37 -0.92 0.00 0.00 175.35 177.12 1s72 h GLN 92 N 0.54 -0.59 -0.47 1.68 4.15 -1.90 0.54 115.11 119.07 1s72 h GLN 92 Ca -0.48 0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.04 1s72 h GLN 92 Cb 1.20 0.13 -0.05 0.00 0.21 0.00 0.00 27.48 28.98 1s72 h GLN 92 CO 0.62 -0.39 0.17 -0.09 -1.93 0.00 0.00 178.83 177.21 1s72 h ARG 93 N -0.61 0.34 -0.34 1.69 2.43 -1.95 -0.58 114.38 115.37 1s72 h ARG 93 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1s72 h ARG 93 Cb 0.59 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1s72 h ARG 93 CO -0.11 0.23 0.21 0.78 -1.51 0.00 0.00 179.97 179.57 1s72 h GLY 94 N 0.35 0.48 1.57 2.80 0.00 -1.53 -1.58 103.07 105.17 1s72 h GLY 94 Ca 0.22 -0.19 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 1s72 h GLY 94 CO -0.21 0.19 -0.16 -0.09 0.00 0.00 0.00 176.54 176.27 1s72 h ARG 95 N 0.45 0.52 -0.21 4.80 2.43 -0.46 -1.18 114.38 120.71 1s72 h ARG 95 Ca 0.12 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1s72 h ARG 95 Cb -0.02 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1s72 h ARG 95 CO -0.02 0.66 0.09 0.93 -1.51 0.00 0.00 179.97 180.12 1s72 h GLU 96 N 0.47 0.32 0.36 0.20 5.08 -0.76 -0.53 114.58 119.72 1s72 h GLU 96 Ca 0.08 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1s72 h GLU 96 Cb 0.55 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1s72 h GLU 96 CO 0.04 0.37 -0.17 0.00 -1.00 0.00 0.00 179.01 178.24 1s72 h ALA 97 N 0.94 -0.48 -0.93 3.43 0.00 -1.08 -2.46 119.26 118.68 1s72 h ALA 97 Ca 0.07 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.99 1s72 h ALA 97 Cb 0.16 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 1s72 h ALA 97 CO -0.01 -0.75 0.60 0.35 0.00 0.00 0.00 179.25 179.44 1s72 h PHE 98 N -0.52 0.98 0.00 0.00 3.57 -1.16 0.99 116.94 120.80 1s72 h PHE 98 Ca -0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1s72 h PHE 98 Cb 0.39 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1s72 h PHE 98 CO -0.04 0.39 0.00 0.39 -2.23 0.00 0.00 178.31 176.82 1s72 n GLU 99 N -4.57 0.06 -0.84 1.11 1.02 -0.21 -2.37 120.64 114.83 1s72 n GLU 99 Ca 0.17 0.11 0.01 0.00 -0.02 0.00 0.00 57.16 57.43 1s72 n GLU 99 Cb 0.38 -1.50 0.32 0.00 -0.02 0.00 0.00 31.44 30.62 1s72 n GLU 99 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1s72 n SER 100 N -1.46 4.75 -4.00 1.62 3.41 0.34 -4.87 113.62 113.40 1s72 n SER 100 Ca 0.06 -3.13 -0.23 0.00 -0.26 0.00 0.00 58.87 55.32 1s72 n SER 100 Cb 0.25 -0.68 -0.16 0.00 -0.26 0.00 0.00 64.21 63.36 1s72 n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1s72 s VAL 101 N -2.91 0.96 -0.01 -3.33 1.01 -1.00 -1.34 120.40 113.78 1s72 s VAL 101 Ca 0.51 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.10 1s72 s VAL 101 Cb 0.41 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.92 1s72 s VAL 101 CO 0.12 0.31 -0.02 -0.13 0.00 0.00 0.00 175.10 175.38 1s72 s ARG 102 N 0.55 0.22 -0.02 2.72 0.52 -0.61 -4.98 118.95 117.35 1s72 s ARG 102 Ca -0.10 -0.05 -0.02 0.00 -0.52 0.00 0.00 55.73 55.04 1s72 s ARG 102 Cb -0.13 -0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.04 1s72 s ARG 102 CO 0.02 0.02 0.11 0.08 0.02 0.00 0.00 175.30 175.55 1s72 s VAL 103 N 0.16 4.97 0.05 3.52 1.01 -1.26 -1.24 120.40 127.61 1s72 s VAL 103 Ca -0.01 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1s72 s VAL 103 Cb -0.04 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1s72 s VAL 103 CO -0.00 0.37 -0.16 -0.31 0.00 0.00 0.00 175.10 174.99 1s72 s TYR 104 N -1.21 1.39 -0.15 5.22 1.51 0.23 -4.90 117.35 119.44 1s72 s TYR 104 Ca 0.23 -0.38 -0.25 0.00 -1.01 0.00 0.00 57.07 55.66 1s72 s TYR 104 Cb -0.12 -0.81 -0.02 0.00 -0.11 0.00 0.00 41.96 40.90 1s72 s TYR 104 CO 0.14 0.07 0.80 -0.51 -1.11 0.00 0.00 175.55 174.94 1s72 s LEU 105 N -1.32 4.20 0.00 -1.29 1.43 -1.26 -1.71 118.68 118.73 1s72 s LEU 105 Ca 0.03 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 1s72 s LEU 105 Cb -0.09 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.93 1s72 s LEU 105 CO 0.02 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 176.87 1s72 n GLY 106 N 3.41 -0.08 2.73 -3.19 0.00 -1.26 -4.67 105.19 102.13 1s72 n GLY 106 Ca 0.03 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 1s72 n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1s72 s ASN 107 N -4.00 3.80 0.00 1.61 3.04 -1.26 -0.14 114.94 117.99 1s72 s ASN 107 Ca 0.00 -1.46 0.27 0.00 0.04 0.00 0.00 52.86 51.71 1s72 s ASN 107 Cb 0.00 -0.79 1.55 0.00 -1.54 0.00 0.00 41.25 40.47 1s72 s ASN 107 CO 0.00 -0.39 1.94 -0.81 -3.04 0.00 0.00 177.10 174.80 1s72 n PRO 108 N 4.90 0.75 -2.78 0.43 -0.04 -1.26 -4.82 135.00 132.18 1s72 n PRO 108 Ca -0.04 0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.23 1s72 n PRO 108 Cb 0.43 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.42 1s72 n PRO 108 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1s72 s TYR 109 N -2.11 2.90 -0.18 0.54 1.51 -1.26 -5.04 117.35 113.71 1s72 s TYR 109 Ca 0.37 -0.07 -0.21 0.00 -1.01 0.00 0.00 57.07 56.16 1s72 s TYR 109 Cb 0.18 -2.61 -0.18 0.00 -0.11 0.00 0.00 41.96 39.25 1s72 s TYR 109 CO 0.33 -0.70 0.30 -0.44 -1.11 0.00 0.00 175.55 173.93 1s72 h ASP 110 N 0.24 0.00 -4.15 2.29 3.32 -2.06 -3.47 116.42 112.59 1s72 h ASP 110 Ca -0.42 -0.55 -0.55 0.00 0.02 0.00 0.00 57.03 55.53 1s72 h ASP 110 Cb 1.29 0.00 0.17 0.00 0.22 0.00 0.00 39.33 41.00 1s72 h ASP 110 CO 0.51 1.22 0.43 -1.61 -1.72 0.00 0.00 179.24 178.08 1s72 s GLU 111 N -2.27 2.14 -0.14 3.56 2.02 -1.26 -4.98 118.70 117.77 1s72 s GLU 111 Ca -0.23 1.91 -0.15 0.00 0.02 0.00 0.00 54.97 56.52 1s72 s GLU 111 Cb 0.03 -1.81 -0.05 0.00 0.10 0.00 0.00 34.13 32.40 1s72 s GLU 111 CO 0.54 -1.87 0.34 -0.51 0.02 0.00 0.00 175.26 173.78 1s72 s ASP 112 N -1.76 6.51 1.11 -0.19 1.11 -1.26 -5.04 116.67 117.15 1s72 s ASP 112 Ca 0.78 0.60 -0.12 0.00 0.18 0.00 0.00 52.55 53.99 1s72 s ASP 112 Cb -0.33 -2.21 0.25 0.00 1.07 0.00 0.00 42.92 41.70 1s72 s ASP 112 CO 0.45 0.08 1.05 -0.83 1.18 0.00 0.00 175.17 177.10 1s72 s GLY 113 N 0.46 1.58 0.34 0.21 0.00 -1.26 -5.01 107.32 103.63 1s72 s GLY 113 Ca 0.19 0.05 0.02 0.00 0.00 0.00 0.00 44.72 44.99 1s72 s GLY 113 CO 0.06 0.70 0.52 -1.83 0.00 0.00 0.00 173.10 172.55 1s72 s GLU 114 N -4.50 3.33 -0.25 2.90 -1.05 0.41 -4.54 118.70 115.01 1s72 s GLU 114 Ca 0.68 -0.56 -0.08 0.00 -0.15 0.00 0.00 54.97 54.86 1s72 s GLU 114 Cb -0.25 -2.72 -0.03 0.00 -0.44 0.00 0.00 34.13 30.69 1s72 s GLU 114 CO 0.63 0.11 0.09 0.08 0.95 0.00 0.00 175.26 177.13 1s72 s VAL 115 N -2.27 4.52 0.47 1.83 1.01 -1.26 -1.14 120.40 123.56 1s72 s VAL 115 Ca 0.41 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 62.07 1s72 s VAL 115 Cb -0.10 -3.12 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 1s72 s VAL 115 CO 0.34 0.33 1.09 -0.76 0.00 0.00 0.00 175.10 176.10 1s72 s LEU 116 N 1.56 3.94 0.28 3.92 1.43 -1.26 -4.98 118.68 123.57 1s72 s LEU 116 Ca 0.06 2.11 -0.29 0.00 -1.03 0.00 0.00 54.13 54.97 1s72 s LEU 116 Cb -0.15 -4.39 -0.10 0.00 0.03 0.00 0.00 46.19 41.57 1s72 s LEU 116 CO 0.05 -0.84 1.36 -1.81 0.23 0.00 0.00 176.35 175.33 1s72 s ASP 117 N -1.68 6.75 -1.02 2.29 1.01 -1.26 -3.24 116.67 119.53 1s72 s ASP 117 Ca 0.65 2.63 0.00 0.00 0.71 0.00 0.00 52.55 56.54 1s72 s ASP 117 Cb -0.22 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.07 1s72 s ASP 117 CO 0.27 -0.59 0.00 0.61 0.21 0.00 0.00 175.17 175.67 1s72 n GLY 118 N 1.58 0.56 0.00 0.21 0.00 -1.26 -4.88 105.19 101.39 1s72 n GLY 118 Ca 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1s72 n GLY 118 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s72 n THR 119 N -3.36 0.00 -2.75 2.61 -2.24 -1.20 -4.96 114.28 102.38 1s72 n THR 119 Ca -0.12 -0.37 -0.40 0.00 -2.27 0.00 0.00 64.05 60.90 1s72 n THR 119 Cb 0.47 0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 69.51 1s72 n THR 119 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1s72 s SER 120 N -1.25 7.63 -0.16 3.42 0.15 -1.26 0.29 113.70 122.52 1s72 s SER 120 Ca 0.00 1.94 -0.03 0.00 0.70 0.00 0.00 55.95 58.57 1s72 s SER 120 Cb 0.00 -2.61 -0.02 0.00 -1.71 0.00 0.00 66.02 61.68 1s72 s SER 120 CO 0.00 0.14 -0.06 -0.22 1.20 0.00 0.00 173.24 174.30 1s72 s LEU 121 N -1.24 3.07 -0.56 3.45 2.96 0.15 -4.87 118.68 121.64 1s72 s LEU 121 Ca 0.42 -0.21 -0.26 0.00 -0.22 0.00 0.00 54.13 53.86 1s72 s LEU 121 Cb -0.26 -1.73 0.04 0.00 0.50 0.00 0.00 46.19 44.74 1s72 s LEU 121 CO 0.32 0.14 1.04 -0.62 -1.32 0.00 0.00 176.35 175.91 1s72 s ASP 122 N 0.50 6.38 0.59 3.68 -1.08 -1.26 -4.89 116.67 120.59 1s72 s ASP 122 Ca -0.05 -0.17 0.29 0.00 -0.52 0.00 0.00 52.55 52.10 1s72 s ASP 122 Cb -0.15 -2.48 1.70 0.00 -1.46 0.00 0.00 42.92 40.54 1s72 s ASP 122 CO 0.03 -1.33 2.13 0.03 0.52 0.00 0.00 175.17 176.55 1s72 h ARG 123 N 9.40 0.00 0.00 4.34 3.08 -1.95 -1.70 114.38 127.55 1s72 h ARG 123 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1s72 h ARG 123 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1s72 h ARG 123 CO 1.13 0.00 0.00 -0.07 -1.07 0.00 0.00 179.97 179.96 1s72 h LEU 124 N 0.00 0.00 -2.94 3.04 3.38 -2.06 -3.21 115.31 113.52 1s72 h LEU 124 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1s72 h LEU 124 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1s72 h LEU 124 CO -0.00 0.00 -0.18 -1.54 0.09 0.00 0.00 178.44 176.81 1s72 n SER 125 N -2.85 2.03 -3.70 -0.43 3.41 -0.66 -5.00 113.62 106.42 1s72 n SER 125 Ca 0.03 -3.21 -0.11 0.00 -0.26 0.00 0.00 58.87 55.32 1s72 n SER 125 Cb 0.41 -0.44 -0.12 0.00 -0.26 0.00 0.00 64.21 63.81 1s72 n SER 125 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1s72 s ASN 126 N -2.85 -0.27 0.00 4.04 0.01 -1.08 -5.01 114.94 109.78 1s72 s ASN 126 Ca 0.32 0.75 0.00 0.00 -0.71 0.00 0.00 52.86 53.21 1s72 s ASN 126 Cb 0.29 0.72 0.00 0.00 0.41 0.00 0.00 41.25 42.67 1s72 s ASN 126 CO -0.00 -0.20 0.00 -0.38 -1.51 0.00 0.00 177.10 175.01 1s72 n ILE 127 N 4.56 0.00 -3.23 0.60 5.41 -1.26 -4.71 119.36 120.73 1s72 n ILE 127 Ca -0.19 0.00 -0.46 0.00 1.00 0.00 0.00 62.75 63.09 1s72 n ILE 127 Cb 0.53 0.28 -0.03 0.00 -0.71 0.00 0.00 39.64 39.71 1s72 n ILE 127 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1s72 s LYS 128 N -1.91 3.52 0.07 0.38 1.02 -1.26 -4.94 119.74 116.61 1s72 s LYS 128 Ca 0.00 -2.18 -0.27 0.00 0.02 0.00 0.00 55.97 53.54 1s72 s LYS 128 Cb 0.00 -4.51 0.09 0.00 -0.52 0.00 0.00 37.83 32.88 1s72 s LYS 128 CO 0.00 -1.41 1.02 -0.59 -0.92 0.00 0.00 175.35 173.45 1s72 s PHE 129 N 0.99 -0.16 0.05 3.18 -0.12 -1.11 -1.44 117.98 119.37 1s72 s PHE 129 Ca 0.20 -0.06 -0.00 0.00 -0.05 0.00 0.00 56.93 57.01 1s72 s PHE 129 Cb -0.11 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 1s72 s PHE 129 CO -0.07 -0.63 -0.04 0.08 -0.05 0.00 0.00 175.22 174.51 1s72 s VAL 130 N -3.04 0.28 0.01 -2.49 1.01 -0.61 -4.82 120.40 110.74 1s72 s VAL 130 Ca 0.11 -1.71 -0.15 0.00 0.00 0.00 0.00 61.98 60.23 1s72 s VAL 130 Cb -0.00 -1.38 -0.06 0.00 0.00 0.00 0.00 36.38 34.94 1s72 s VAL 130 CO -0.02 -0.91 0.42 -0.89 0.00 0.00 0.00 175.10 173.70 1s72 s THR 131 N -3.54 5.01 0.26 3.92 2.01 -1.26 -1.80 115.64 120.24 1s72 s THR 131 Ca 0.05 0.86 -0.03 0.00 0.31 0.00 0.00 61.69 62.87 1s72 s THR 131 Cb 0.05 -3.72 0.26 0.00 0.01 0.00 0.00 72.50 69.10 1s72 s THR 131 CO -0.08 0.57 1.88 -0.07 -0.69 0.00 0.00 174.62 176.24 1s72 h LEU 132 N 4.67 1.03 -0.84 4.42 3.38 -1.43 -0.08 115.31 126.46 1s72 h LEU 132 Ca -0.51 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.56 1s72 h LEU 132 Cb 1.22 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 1s72 h LEU 132 CO 0.62 0.67 0.49 1.23 0.09 0.00 0.00 178.44 181.53 1s72 h GLY 133 N 1.17 1.31 1.01 0.83 0.00 -1.46 0.16 103.07 106.10 1s72 h GLY 133 Ca 0.41 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 1s72 h GLY 133 CO -0.16 0.13 0.06 0.83 0.00 0.00 0.00 176.54 177.40 1s72 h GLU 134 N 0.81 0.89 -0.36 4.80 5.08 -1.33 -1.78 114.58 122.69 1s72 h GLU 134 Ca 0.41 -0.25 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1s72 h GLU 134 Cb 0.37 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1s72 h GLU 134 CO -0.25 0.89 0.18 0.82 -1.00 0.00 0.00 179.01 179.65 1s72 h ILE 135 N 0.77 0.98 -0.70 3.13 2.04 -0.05 -1.29 117.51 122.40 1s72 h ILE 135 Ca 0.16 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1s72 h ILE 135 Cb 0.45 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1s72 h ILE 135 CO 0.02 0.07 0.39 0.28 0.00 0.00 0.00 178.15 178.91 1s72 h SER 136 N 0.37 0.85 -0.64 1.72 0.02 -0.81 -0.04 113.55 115.02 1s72 h SER 136 Ca 0.15 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 1s72 h SER 136 Cb 0.07 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1s72 h SER 136 CO -0.11 0.67 0.08 -0.33 -1.14 0.00 0.00 176.83 176.00 1s72 h GLU 137 N 0.96 1.07 -0.60 3.45 5.08 -0.70 1.00 114.58 124.85 1s72 h GLU 137 Ca 0.25 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1s72 h GLU 137 Cb 0.00 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1s72 h GLU 137 CO -0.04 1.01 0.16 1.15 -1.00 0.00 0.00 179.01 180.28 1s72 h THR 138 N 0.99 1.25 0.00 1.13 2.02 -0.52 -2.37 112.91 115.41 1s72 h THR 138 Ca 0.19 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1s72 h THR 138 Cb 0.47 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1s72 h THR 138 CO 0.02 0.33 0.00 -0.07 0.37 0.00 0.00 175.52 176.17 1s72 h LEU 139 N 0.86 0.00 0.00 2.58 3.38 -0.66 -3.46 115.31 118.02 1s72 h LEU 139 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1s72 h LEU 139 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1s72 h LEU 139 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1s72 n GLY 140 N -0.47 0.79 3.53 0.83 0.00 -0.79 -5.08 105.19 104.00 1s72 n GLY 140 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1s72 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s72 n ALA 141 N -1.21 -1.73 -2.53 4.61 0.00 0.28 -4.94 120.51 114.99 1s72 n ALA 141 Ca 0.00 -0.57 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 1s72 n ALA 141 Cb 0.00 -1.98 -0.08 0.00 0.00 0.00 0.00 19.45 17.39 1s72 n ALA 141 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1s72 s ASN 142 N -2.26 6.30 -0.98 0.00 3.84 -1.26 -4.71 114.94 115.87 1s72 s ASN 142 Ca 0.62 -0.27 -0.26 0.00 0.21 0.00 0.00 52.86 53.16 1s72 s ASN 142 Cb -0.23 -2.28 -0.16 0.00 -0.55 0.00 0.00 41.25 38.04 1s72 s ASN 142 CO 0.63 -0.61 2.18 -0.75 -2.79 0.00 0.00 177.10 175.76 1s72 s LYS 143 N 2.49 1.62 -0.12 0.43 2.20 -1.26 -4.66 119.74 120.44 1s72 s LYS 143 Ca 0.19 -0.19 0.09 0.00 -0.36 0.00 0.00 55.97 55.69 1s72 s LYS 143 Cb -0.15 -4.95 0.47 0.00 -1.51 0.00 0.00 37.83 31.69 1s72 s LYS 143 CO 0.15 -4.75 1.25 -2.37 -0.36 0.00 0.00 175.35 169.27 1s72 n THR 144 N 8.69 1.51 -0.67 3.43 5.66 -1.26 -5.23 114.28 126.41 1s72 n THR 144 Ca 0.44 -0.80 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 1s72 n THR 144 Cb 0.46 -0.29 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 1s72 n THR 144 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35