#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj2 n GLU 5 N 0.00 -5.40 -3.49 0.00 1.02 -1.26 -5.03 120.64 106.47 1jj2 n GLU 5 Ca 0.00 3.88 -0.23 0.00 -0.02 0.00 0.00 57.16 60.79 1jj2 n GLU 5 Cb 0.00 -4.69 -0.13 0.00 -0.02 0.00 0.00 31.44 26.60 1jj2 n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1jj2 s PHE 6 N -0.59 -0.04 -1.03 -0.32 5.36 -1.26 -5.06 117.98 115.04 1jj2 s PHE 6 Ca 0.00 -0.47 -0.27 0.00 -0.96 0.00 0.00 56.93 55.23 1jj2 s PHE 6 Cb 0.00 -0.67 -0.23 0.00 -0.34 0.00 0.00 43.02 41.78 1jj2 s PHE 6 CO 0.00 -0.82 2.06 -0.25 -1.46 0.00 0.00 175.22 174.75 1jj2 n ASP 7 N 5.28 1.57 -4.71 6.13 8.00 -1.26 -4.89 116.55 126.68 1jj2 n ASP 7 Ca -0.05 -2.52 -0.41 0.00 0.71 0.00 0.00 54.79 52.52 1jj2 n ASP 7 Cb 0.45 -1.65 -0.04 0.00 -0.02 0.00 0.00 41.12 39.86 1jj2 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jj2 s ALA 8 N 15.81 3.27 -0.25 2.24 0.00 -1.26 -4.82 121.76 136.74 1jj2 s ALA 8 Ca 0.79 0.32 0.27 0.00 0.00 0.00 0.00 51.96 53.34 1jj2 s ALA 8 Cb -0.03 -3.17 0.73 0.00 0.00 0.00 0.00 23.12 20.65 1jj2 s ALA 8 CO 0.19 -0.22 1.75 -0.44 0.00 0.00 0.00 175.76 177.04 1jj2 h ASP 9 N 6.83 0.00 -3.48 0.00 3.32 -1.21 -3.44 116.42 118.44 1jj2 h ASP 9 Ca -0.40 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.46 1jj2 h ASP 9 Cb 1.20 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.46 1jj2 h ASP 9 CO 0.76 0.00 -0.49 -0.69 -1.72 0.00 0.00 179.24 177.10 1jj2 s VAL 10 N -3.37 -0.03 -0.28 -1.35 1.01 -1.02 -4.99 120.40 110.37 1jj2 s VAL 10 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1jj2 s VAL 10 Cb 0.07 -0.34 0.05 0.00 0.00 0.00 0.00 36.38 36.16 1jj2 s VAL 10 CO 0.62 0.05 -0.05 -0.63 0.00 0.00 0.00 175.10 175.09 1jj2 s ILE 11 N 0.95 2.64 -0.12 2.22 1.01 -1.26 -1.80 121.20 124.83 1jj2 s ILE 11 Ca -0.07 -1.50 -0.11 0.00 0.00 0.00 0.00 60.65 58.97 1jj2 s ILE 11 Cb -0.08 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 1jj2 s ILE 11 CO -0.06 -0.07 0.24 -0.69 0.00 0.00 0.00 174.94 174.36 1jj2 s VAL 12 N 1.19 5.33 -0.36 2.92 1.01 0.72 -0.28 120.40 130.92 1jj2 s VAL 12 Ca -0.07 0.45 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 1jj2 s VAL 12 Cb -0.20 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 1jj2 s VAL 12 CO -0.03 0.52 0.36 -0.62 0.00 0.00 0.00 175.10 175.32 1jj2 s ASP 13 N -0.39 6.16 0.00 3.32 -1.08 -0.18 0.50 116.67 125.00 1jj2 s ASP 13 Ca 0.16 -0.38 0.27 0.00 -0.52 0.00 0.00 52.55 52.08 1jj2 s ASP 13 Cb -0.13 -2.19 0.92 0.00 -1.46 0.00 0.00 42.92 40.06 1jj2 s ASP 13 CO 0.05 -0.38 1.71 0.00 0.52 0.00 0.00 175.17 177.07 1jj2 n ALA 14 N 5.37 2.86 -1.68 3.66 0.00 -0.08 -4.74 120.51 125.90 1jj2 n ALA 14 Ca -0.09 -0.21 -0.54 0.00 0.00 0.00 0.00 53.44 52.60 1jj2 n ALA 14 Cb 0.49 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 1jj2 n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1jj2 n ARG 15 N -1.50 1.42 -2.36 0.00 0.63 -1.26 -1.16 116.66 112.44 1jj2 n ARG 15 Ca 0.06 0.52 -0.21 0.00 -0.92 0.00 0.00 57.85 57.30 1jj2 n ARG 15 Cb 0.34 -2.23 -0.01 0.00 0.45 0.00 0.00 32.46 31.00 1jj2 n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1jj2 n ASP 16 N 5.09 -5.91 -4.49 6.15 9.92 -0.06 -4.94 116.55 122.30 1jj2 n ASP 16 Ca 0.24 0.01 -0.27 0.00 -0.53 0.00 0.00 54.79 54.24 1jj2 n ASP 16 Cb 0.18 -4.94 -0.11 0.00 -0.64 0.00 0.00 41.12 35.62 1jj2 n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jj2 s ILE 18 N -1.65 3.63 0.17 0.00 1.01 0.14 -0.84 121.20 123.67 1jj2 s ILE 18 Ca 0.22 0.47 -0.13 0.00 0.00 0.00 0.00 60.65 61.21 1jj2 s ILE 18 Cb -0.08 -4.37 0.18 0.00 0.01 0.00 0.00 42.46 38.20 1jj2 s ILE 18 CO 0.12 -1.22 1.17 0.80 0.00 0.00 0.00 174.94 175.81 1jj2 n MET 19 N 8.97 -0.18 -0.33 2.79 0.00 -0.75 -0.63 117.12 126.99 1jj2 n MET 19 Ca 0.13 1.16 -0.04 0.00 -0.00 0.00 0.00 57.70 58.95 1jj2 n MET 19 Cb 0.50 -1.72 0.09 0.00 0.00 0.00 0.00 33.22 32.08 1jj2 n MET 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1jj2 h GLY 20 N 0.00 1.31 2.00 -5.12 0.00 -1.90 0.12 103.07 99.48 1jj2 h GLY 20 Ca 0.26 -0.58 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 1jj2 h GLY 20 CO -0.75 0.56 -0.47 3.21 0.00 0.00 0.00 176.54 179.09 1jj2 h ARG 21 N 1.23 0.00 0.05 4.80 3.08 -1.25 -0.28 114.38 122.01 1jj2 h ARG 21 Ca 0.31 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 1jj2 h ARG 21 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1jj2 h ARG 21 CO -0.05 0.47 -0.02 0.28 -1.07 0.00 0.00 179.97 179.57 1jj2 h VAL 22 N 0.00 1.24 -0.61 2.04 2.07 -0.98 -3.10 116.25 116.90 1jj2 h VAL 22 Ca -0.00 -1.62 0.12 0.00 0.82 0.00 0.00 66.70 66.01 1jj2 h VAL 22 Cb 0.90 2.21 -0.09 0.00 -1.52 0.00 0.00 31.29 32.79 1jj2 h VAL 22 CO 0.06 0.37 0.13 0.00 0.02 0.00 0.00 177.57 178.15 1jj2 h ALA 23 N -0.12 0.73 -0.80 1.67 0.00 -0.70 0.29 119.26 120.34 1jj2 h ALA 23 Ca -0.01 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1jj2 h ALA 23 Cb 0.66 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1jj2 h ALA 23 CO 0.01 -0.31 0.52 1.03 0.00 0.00 0.00 179.25 180.51 1jj2 h SER 24 N 0.26 0.75 0.32 0.00 0.87 -1.13 0.12 113.55 114.75 1jj2 h SER 24 Ca 0.32 0.01 -0.33 0.00 -1.23 0.00 0.00 61.79 60.56 1jj2 h SER 24 Cb 0.49 -0.15 0.03 0.00 -0.44 0.00 0.00 62.40 62.33 1jj2 h SER 24 CO -0.41 0.48 -1.45 1.56 -0.53 0.00 0.00 176.83 176.47 1jj2 h GLN 25 N 0.85 0.50 -0.12 2.24 4.20 -0.92 -2.71 115.11 119.16 1jj2 h GLN 25 Ca 0.35 -0.86 -0.04 0.00 0.06 0.00 0.00 58.65 58.16 1jj2 h GLN 25 Cb 0.27 0.32 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1jj2 h GLN 25 CO -0.12 1.41 -0.12 0.28 -0.67 0.00 0.00 178.83 179.61 1jj2 h VAL 26 N 0.14 1.15 0.37 -0.54 2.07 -0.13 -0.80 116.25 118.51 1jj2 h VAL 26 Ca -0.24 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1jj2 h VAL 26 Cb 2.15 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1jj2 h VAL 26 CO 0.27 0.21 -0.18 0.00 0.02 0.00 0.00 177.57 177.89 1jj2 h ALA 27 N 1.71 -0.50 -0.68 1.67 0.00 -0.78 -1.64 119.26 119.04 1jj2 h ALA 27 Ca 0.04 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.90 1jj2 h ALA 27 Cb 0.32 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 1jj2 h ALA 27 CO 0.02 -0.60 0.15 1.49 0.00 0.00 0.00 179.25 180.31 1jj2 h GLU 28 N -0.87 0.25 -0.39 0.00 4.57 -1.23 -1.81 114.58 115.10 1jj2 h GLU 28 Ca -0.05 -0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 57.99 1jj2 h GLU 28 Cb 0.54 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1jj2 h GLU 28 CO 0.08 0.17 -0.27 1.96 -1.18 0.00 0.00 179.01 179.77 1jj2 h GLN 29 N 0.26 0.82 -0.05 1.92 4.20 -1.12 -2.82 115.11 118.32 1jj2 h GLN 29 Ca 0.37 -0.36 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1jj2 h GLN 29 Cb 0.60 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1jj2 h GLN 29 CO -0.47 0.99 -0.33 0.00 -0.67 0.00 0.00 178.83 178.35 1jj2 h ALA 30 N 1.00 1.36 0.00 3.87 0.00 -0.69 -1.16 119.26 123.63 1jj2 h ALA 30 Ca 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1jj2 h ALA 30 Cb 0.80 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1jj2 h ALA 30 CO 0.07 0.46 0.00 1.28 0.00 0.00 0.00 179.25 181.06 1jj2 n LEU 31 N -4.12 0.02 -1.00 0.00 4.77 -0.74 -2.02 117.00 113.91 1jj2 n LEU 31 Ca -0.02 0.50 0.11 0.00 -0.03 0.00 0.00 56.01 56.58 1jj2 n LEU 31 Cb 0.39 -0.50 0.25 0.00 -2.33 0.00 0.00 43.42 41.24 1jj2 n LEU 31 CO 0.39 -0.07 0.72 0.47 -1.33 0.00 0.00 177.39 177.57 1jj2 n ASP 32 N -1.51 2.98 0.00 -1.43 8.00 -0.52 -4.93 116.55 119.13 1jj2 n ASP 32 Ca 0.06 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.63 1jj2 n ASP 32 Cb 0.29 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 1jj2 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jj2 n GLY 33 N 1.41 0.56 3.78 0.44 0.00 -0.86 -5.08 105.19 105.44 1jj2 n GLY 33 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1jj2 n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jj2 s GLU 34 N -0.91 4.58 -0.31 1.61 0.41 -0.71 -4.99 118.70 118.38 1jj2 s GLU 34 Ca 0.00 1.25 -0.16 0.00 -0.41 0.00 0.00 54.97 55.65 1jj2 s GLU 34 Cb 0.00 -3.01 -0.02 0.00 -1.78 0.00 0.00 34.13 29.32 1jj2 s GLU 34 CO 0.00 0.41 0.40 0.99 -0.49 0.00 0.00 175.26 176.57 1jj2 s THR 35 N -1.42 5.13 0.05 3.63 2.01 -1.26 -4.12 115.64 119.67 1jj2 s THR 35 Ca 0.44 0.36 0.08 0.00 0.31 0.00 0.00 61.69 62.88 1jj2 s THR 35 Cb -0.21 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 1jj2 s THR 35 CO 0.26 -0.01 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.29 1jj2 s VAL 36 N 2.13 2.66 -0.09 3.82 1.01 -0.44 -0.63 120.40 128.87 1jj2 s VAL 36 Ca 0.15 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1jj2 s VAL 36 Cb -0.16 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.12 1jj2 s VAL 36 CO 0.11 0.31 -0.10 0.00 0.00 0.00 0.00 175.10 175.42 1jj2 s ALA 37 N -0.93 1.30 -0.24 5.51 0.00 -0.75 -1.62 121.76 125.03 1jj2 s ALA 37 Ca 0.14 -0.48 -0.10 0.00 0.00 0.00 0.00 51.96 51.52 1jj2 s ALA 37 Cb -0.10 -0.74 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 1jj2 s ALA 37 CO 0.05 -0.16 0.15 0.08 0.00 0.00 0.00 175.76 175.89 1jj2 s VAL 38 N 1.19 5.22 0.10 0.00 1.01 -0.33 -0.20 120.40 127.39 1jj2 s VAL 38 Ca -0.05 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.10 1jj2 s VAL 38 Cb -0.14 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1jj2 s VAL 38 CO -0.03 0.33 0.09 -0.69 0.00 0.00 0.00 175.10 174.81 1jj2 s VAL 39 N 1.19 4.50 -1.32 2.92 1.01 0.18 0.62 120.40 129.50 1jj2 s VAL 39 Ca 0.07 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1jj2 s VAL 39 Cb -0.14 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.05 1jj2 s VAL 39 CO 0.05 0.07 1.09 0.59 0.00 0.00 0.00 175.10 176.91 1jj2 n ASN 40 N 0.27 -4.71 -0.33 3.32 3.02 0.66 -0.90 115.26 116.59 1jj2 n ASN 40 Ca -0.09 -0.60 0.07 0.00 -0.03 0.00 0.00 54.58 53.94 1jj2 n ASN 40 Cb 0.52 -4.93 0.23 0.00 -0.61 0.00 0.00 39.78 34.99 1jj2 n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jj2 h ALA 41 N 0.97 1.41 -0.13 5.41 0.00 -1.56 0.15 119.26 125.50 1jj2 h ALA 41 Ca -0.58 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.42 1jj2 h ALA 41 Cb 1.36 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1jj2 h ALA 41 CO 0.55 0.09 0.21 1.05 0.00 0.00 0.00 179.25 181.16 1jj2 h GLU 42 N 0.84 0.00 -0.71 0.00 9.09 -1.86 0.24 114.58 122.19 1jj2 h GLU 42 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.89 1jj2 h GLU 42 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 1jj2 h GLU 42 CO -0.30 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.30 1jj2 n ARG 43 N -3.51 3.07 -1.52 1.06 1.74 0.03 -1.40 116.66 116.15 1jj2 n ARG 43 Ca 0.01 -2.74 -0.30 0.00 -0.77 0.00 0.00 57.85 54.05 1jj2 n ARG 43 Cb 0.32 -1.67 0.10 0.00 -1.02 0.00 0.00 32.46 30.18 1jj2 n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jj2 s ALA 44 N -1.28 2.16 0.04 7.54 0.00 0.07 -0.88 121.76 129.41 1jj2 s ALA 44 Ca 0.50 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.23 1jj2 s ALA 44 Cb 0.28 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 1jj2 s ALA 44 CO 0.30 -1.82 0.01 0.54 0.00 0.00 0.00 175.76 174.79 1jj2 s VAL 45 N -3.14 0.17 -0.04 0.00 0.11 -0.02 -1.75 120.40 115.73 1jj2 s VAL 45 Ca 0.61 -1.39 0.01 0.00 -2.93 0.00 0.00 61.98 58.28 1jj2 s VAL 45 Cb -0.15 -1.04 0.02 0.00 -1.53 0.00 0.00 36.38 33.68 1jj2 s VAL 45 CO 0.54 -0.77 -0.04 -0.51 -3.33 0.00 0.00 175.10 171.00 1jj2 s ILE 46 N -2.98 0.46 0.68 7.04 2.07 -0.69 -1.82 121.20 125.96 1jj2 s ILE 46 Ca -0.02 -0.09 -0.13 0.00 -1.41 0.00 0.00 60.65 59.00 1jj2 s ILE 46 Cb 0.01 -0.49 0.01 0.00 0.13 0.00 0.00 42.46 42.11 1jj2 s ILE 46 CO -0.06 0.20 1.08 -0.89 -1.91 0.00 0.00 174.94 173.36 1jj2 s THR 47 N 0.86 3.55 -1.50 4.00 2.01 -1.26 -1.49 115.64 121.80 1jj2 s THR 47 Ca -0.11 0.63 0.00 0.00 0.31 0.00 0.00 61.69 62.52 1jj2 s THR 47 Cb -0.14 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.19 1jj2 s THR 47 CO -0.00 -0.54 0.00 0.61 -0.69 0.00 0.00 174.62 174.00 1jj2 n GLY 48 N -1.08 0.78 3.58 4.40 0.00 -0.54 -4.88 105.19 107.45 1jj2 n GLY 48 Ca 0.09 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 1jj2 n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jj2 s ARG 49 N -0.88 3.60 0.36 1.61 3.52 -1.26 -2.87 118.95 123.02 1jj2 s ARG 49 Ca 0.00 0.28 0.17 0.00 -0.13 0.00 0.00 55.73 56.04 1jj2 s ARG 49 Cb 0.00 -3.91 1.21 0.00 -1.56 0.00 0.00 34.95 30.69 1jj2 s ARG 49 CO 0.00 -1.24 1.58 1.49 -0.81 0.00 0.00 175.30 176.32 1jj2 h GLU 50 N 9.07 0.01 -0.30 5.12 4.81 -1.94 -0.35 114.58 130.99 1jj2 h GLU 50 Ca -0.24 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1jj2 h GLU 50 Cb 1.07 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1jj2 h GLU 50 CO 1.05 0.00 0.20 0.93 -0.73 0.00 0.00 179.01 180.46 1jj2 h GLU 51 N 0.01 0.40 -0.09 1.92 3.07 -1.99 -0.48 114.58 117.41 1jj2 h GLU 51 Ca 0.79 -0.02 -0.23 0.00 -0.50 0.00 0.00 59.36 59.40 1jj2 h GLU 51 Cb 2.02 -0.09 0.01 0.00 -0.84 0.00 0.00 28.75 29.85 1jj2 h GLU 51 CO -0.80 0.27 -0.87 -0.56 -1.40 0.00 0.00 179.01 175.64 1jj2 h GLN 52 N 0.41 0.71 -0.05 2.33 -0.00 -1.50 -2.49 115.11 114.52 1jj2 h GLN 52 Ca 0.11 -0.64 0.03 0.00 -0.00 0.00 0.00 58.65 58.15 1jj2 h GLN 52 Cb -0.05 0.15 -0.04 0.00 -0.00 0.00 0.00 27.48 27.55 1jj2 h GLN 52 CO -0.02 1.24 -0.16 0.82 -0.00 0.00 0.00 178.83 180.71 1jj2 h ILE 53 N 0.45 0.60 -0.59 1.86 2.04 -1.23 -1.92 117.51 118.72 1jj2 h ILE 53 Ca -0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1jj2 h ILE 53 Cb 1.50 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 1jj2 h ILE 53 CO 0.17 0.00 0.32 0.58 0.00 0.00 0.00 178.15 179.22 1jj2 h VAL 54 N -0.24 1.18 -0.61 1.67 2.07 -1.12 -2.37 116.25 116.83 1jj2 h VAL 54 Ca 0.07 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1jj2 h VAL 54 Cb 0.33 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1jj2 h VAL 54 CO -0.19 0.20 0.40 -0.33 0.02 0.00 0.00 177.57 177.67 1jj2 h GLU 55 N 0.82 0.81 0.21 1.57 5.08 -0.89 0.19 114.58 122.37 1jj2 h GLU 55 Ca 0.21 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1jj2 h GLU 55 Cb 0.02 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1jj2 h GLU 55 CO -0.03 0.55 -0.19 -0.22 -1.00 0.00 0.00 179.01 178.12 1jj2 h LYS 56 N 0.83 -0.40 -0.40 2.33 3.64 -0.86 0.49 116.57 122.20 1jj2 h LYS 56 Ca 0.22 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.57 1jj2 h LYS 56 Cb -0.08 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1jj2 h LYS 56 CO -0.05 -0.27 -0.02 1.88 -2.27 0.00 0.00 179.45 178.72 1jj2 h TYR 57 N -0.42 0.68 -0.43 1.91 -1.99 -1.35 -2.08 116.97 113.29 1jj2 h TYR 57 Ca -0.01 -0.09 -0.08 0.00 2.00 0.00 0.00 58.73 60.56 1jj2 h TYR 57 Cb 0.38 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 38.90 1jj2 h TYR 57 CO -0.13 0.66 -0.06 0.93 -0.00 0.00 0.00 178.16 179.56 1jj2 h GLU 58 N 0.60 0.74 -0.66 4.88 5.08 -0.66 -2.18 114.58 122.38 1jj2 h GLU 58 Ca 0.12 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1jj2 h GLU 58 Cb 0.41 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1jj2 h GLU 58 CO 0.02 0.79 0.31 -0.22 -1.00 0.00 0.00 179.01 178.91 1jj2 h LYS 59 N 0.68 0.96 -0.30 2.33 1.63 -0.29 -1.93 116.57 119.66 1jj2 h LYS 59 Ca 0.13 -0.15 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1jj2 h LYS 59 Cb 0.51 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 1jj2 h LYS 59 CO 0.03 0.77 0.10 0.00 -3.45 0.00 0.00 179.45 176.90 1jj2 h ARG 60 N 0.92 0.41 -0.16 1.90 3.08 -0.80 -0.62 114.38 119.12 1jj2 h ARG 60 Ca 0.23 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 1jj2 h ARG 60 Cb 0.13 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1jj2 h ARG 60 CO -0.03 0.36 -0.14 0.28 -1.07 0.00 0.00 179.97 179.37 1jj2 h VAL 61 N 0.41 1.34 0.00 2.04 2.07 -0.93 -3.22 116.25 117.96 1jj2 h VAL 61 Ca 0.10 -1.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 1jj2 h VAL 61 Cb 0.11 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1jj2 h VAL 61 CO -0.01 0.38 -0.36 0.44 0.02 0.00 0.00 177.57 178.04 1jj2 h ASP 62 N 0.02 0.00 -4.11 0.57 3.32 -0.80 -3.45 116.42 111.97 1jj2 h ASP 62 Ca 0.03 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.53 1jj2 h ASP 62 Cb 0.67 0.00 0.15 0.00 0.22 0.00 0.00 39.33 40.36 1jj2 h ASP 62 CO 0.04 0.36 0.49 -0.63 -1.72 0.00 0.00 179.24 177.77 1jj2 s ILE 63 N -4.11 2.21 -5.00 0.35 1.01 -0.29 -4.94 121.20 110.42 1jj2 s ILE 63 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.75 1jj2 s ILE 63 Cb 0.14 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.60 1jj2 s ILE 63 CO 0.71 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.23 1jj2 n GLY 64 N 0.75 -0.17 0.00 6.18 0.00 -1.26 -4.63 105.19 106.06 1jj2 n GLY 64 Ca 0.15 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1jj2 n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jj2 n ASN 65 N 3.00 0.00 -0.30 1.61 0.23 -1.26 -4.92 115.26 113.61 1jj2 n ASN 65 Ca 0.00 -0.68 -0.02 0.00 -0.53 0.00 0.00 54.58 53.35 1jj2 n ASN 65 Cb 0.00 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 37.85 1jj2 n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1jj2 h ASP 66 N 0.00 1.04 -0.30 0.53 3.32 -2.05 -0.20 116.42 118.76 1jj2 h ASP 66 Ca 0.00 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1jj2 h ASP 66 Cb 0.00 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1jj2 h ASP 66 CO 0.00 0.79 0.02 -1.13 -1.72 0.00 0.00 179.24 177.20 1jj2 h ASN 67 N 1.20 0.59 -3.55 6.45 -0.73 -2.05 -3.48 115.58 114.00 1jj2 h ASN 67 Ca 0.32 -0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.37 1jj2 h ASN 67 Cb -0.07 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.37 1jj2 h ASN 67 CO -0.06 0.64 0.00 0.61 -0.37 0.00 0.00 177.43 178.25 1jj2 n GLY 68 N -0.83 -0.05 2.39 1.57 0.00 -0.09 -5.00 105.19 103.19 1jj2 n GLY 68 Ca 0.02 -1.49 -0.23 0.00 0.00 0.00 0.00 46.02 44.32 1jj2 n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jj2 n TYR 69 N 0.54 -1.18 -2.07 1.61 9.36 -1.26 -4.79 117.16 119.38 1jj2 n TYR 69 Ca 0.00 -3.12 -0.39 0.00 3.32 0.00 0.00 57.90 57.71 1jj2 n TYR 69 Cb 0.00 0.28 -0.03 0.00 -0.63 0.00 0.00 39.34 38.96 1jj2 n TYR 69 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 1jj2 s PHE 70 N -0.16 1.71 -0.16 2.98 5.36 -1.26 -4.77 117.98 121.68 1jj2 s PHE 70 Ca 0.33 0.74 -0.04 0.00 -0.96 0.00 0.00 56.93 57.00 1jj2 s PHE 70 Cb 0.08 -4.12 -0.03 0.00 -0.34 0.00 0.00 43.02 38.61 1jj2 s PHE 70 CO -0.16 -2.33 -0.02 -0.47 -1.46 0.00 0.00 175.22 170.78 1jj2 s TYR 71 N 8.73 3.05 0.48 10.12 5.04 -1.26 -5.09 117.35 138.42 1jj2 s TYR 71 Ca 0.66 -0.27 -0.23 0.00 -2.44 0.00 0.00 57.07 54.79 1jj2 s TYR 71 Cb -0.13 -1.98 -0.07 0.00 0.35 0.00 0.00 41.96 40.13 1jj2 s TYR 71 CO 0.21 -0.04 1.26 -1.25 -1.34 0.00 0.00 175.55 174.40 1jj2 s PRO 72 N 0.43 3.60 -0.15 4.97 0.04 -1.26 -4.88 135.00 137.74 1jj2 s PRO 72 Ca -0.03 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.11 1jj2 s PRO 72 Cb -0.14 -2.43 -0.15 0.00 0.04 0.00 0.00 34.50 31.82 1jj2 s PRO 72 CO 0.03 -0.75 -0.03 1.63 0.04 0.00 0.00 177.00 177.92 1jj2 n LYS 73 N -0.53 1.28 -2.34 4.56 5.02 -1.26 -4.60 118.16 120.30 1jj2 n LYS 73 Ca 0.07 0.03 -0.35 0.00 -2.02 0.00 0.00 58.31 56.04 1jj2 n LYS 73 Cb 0.46 -1.35 -0.01 0.00 -0.02 0.00 0.00 35.03 34.11 1jj2 n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1jj2 s ARG 74 N -2.34 3.58 0.62 1.97 1.81 -1.26 -4.24 118.95 119.09 1jj2 s ARG 74 Ca -0.13 1.58 0.41 0.00 -1.72 0.00 0.00 55.73 55.88 1jj2 s ARG 74 Cb 0.05 -2.14 2.19 0.00 -0.45 0.00 0.00 34.95 34.60 1jj2 s ARG 74 CO 0.51 -0.66 2.26 -1.00 -0.68 0.00 0.00 175.30 175.73 1jj2 h PRO 75 N 1.52 0.00 0.00 3.54 0.13 -1.94 -1.90 132.00 133.36 1jj2 h PRO 75 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1jj2 h PRO 75 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1jj2 h PRO 75 CO 0.58 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.88 1jj2 n ASP 76 N -3.01 0.00 -0.14 1.44 -0.08 -1.26 -2.78 116.55 110.72 1jj2 n ASP 76 Ca -0.02 0.95 -0.09 0.00 -1.51 0.00 0.00 54.79 54.12 1jj2 n ASP 76 Cb 0.10 -0.45 0.05 0.00 2.34 0.00 0.00 41.12 43.16 1jj2 n ASP 76 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1jj2 h GLY 77 N 0.00 1.00 -0.26 0.27 0.00 -1.87 -2.93 103.07 99.28 1jj2 h GLY 77 Ca 0.00 -0.82 0.12 0.00 0.00 0.00 0.00 47.33 46.63 1jj2 h GLY 77 CO 0.00 0.75 -0.19 -2.22 0.00 0.00 0.00 176.54 174.88 1jj2 h ILE 78 N 0.82 0.34 -0.53 2.60 1.08 -1.42 0.52 117.51 120.92 1jj2 h ILE 78 Ca 0.12 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.55 1jj2 h ILE 78 Cb 0.69 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 1jj2 h ILE 78 CO 0.05 0.00 0.16 0.15 -0.69 0.00 0.00 178.15 177.82 1jj2 h PHE 79 N -0.04 0.87 -0.55 1.37 -0.00 -1.50 -0.95 116.94 116.15 1jj2 h PHE 79 Ca 0.28 -0.09 -0.10 0.00 -0.00 0.00 0.00 57.97 58.06 1jj2 h PHE 79 Cb 0.47 -0.25 -0.02 0.00 -0.00 0.00 0.00 35.95 36.15 1jj2 h PHE 79 CO -0.52 0.75 -0.06 -0.22 -0.00 0.00 0.00 178.31 178.25 1jj2 h LYS 80 N 0.74 0.99 -0.36 1.11 3.64 -0.82 -1.65 116.57 120.22 1jj2 h LYS 80 Ca 0.17 -0.33 -0.07 0.00 -1.27 0.00 0.00 60.65 59.15 1jj2 h LYS 80 Cb 0.29 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1jj2 h LYS 80 CO -0.00 1.01 -0.06 -0.09 -2.27 0.00 0.00 179.45 178.04 1jj2 h ARG 81 N 0.89 0.59 -0.85 1.90 9.65 0.13 -0.53 114.38 126.17 1jj2 h ARG 81 Ca 0.15 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1jj2 h ARG 81 Cb 0.60 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 29.07 1jj2 h ARG 81 CO 0.04 0.65 0.47 1.15 2.80 0.00 0.00 179.97 185.08 1jj2 h THR 82 N 0.55 1.25 -0.27 0.20 2.02 -0.54 -2.08 112.91 114.03 1jj2 h THR 82 Ca 0.11 -0.60 -0.12 0.00 0.77 0.00 0.00 66.41 66.57 1jj2 h THR 82 Cb 0.44 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1jj2 h THR 82 CO 0.02 0.27 -0.28 0.40 0.37 0.00 0.00 175.52 176.30 1jj2 h ILE 83 N 1.18 1.31 -0.63 3.11 2.04 -0.68 -3.03 117.51 120.80 1jj2 h ILE 83 Ca 0.30 -1.45 0.15 0.00 1.00 0.00 0.00 64.86 64.86 1jj2 h ILE 83 Cb 0.02 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1jj2 h ILE 83 CO -0.05 0.46 0.44 -0.09 0.00 0.00 0.00 178.15 178.91 1jj2 h ARG 84 N 0.40 0.17 0.00 2.37 2.43 -0.63 0.31 114.38 119.42 1jj2 h ARG 84 Ca 0.04 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1jj2 h ARG 84 Cb 0.85 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1jj2 h ARG 84 CO 0.07 0.11 0.00 0.41 -1.51 0.00 0.00 179.97 179.05 1jj2 n GLY 85 N -1.60 -1.22 1.13 2.80 0.00 -0.83 -2.26 105.19 103.22 1jj2 n GLY 85 Ca 0.12 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1jj2 n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jj2 n MET 86 N -1.83 3.28 -4.18 1.61 2.81 0.11 -4.95 117.12 113.97 1jj2 n MET 86 Ca 0.04 -2.64 -0.16 0.00 -1.81 0.00 0.00 57.70 53.13 1jj2 n MET 86 Cb 0.23 -1.70 -0.13 0.00 -0.71 0.00 0.00 33.22 30.92 1jj2 n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1jj2 s LEU 87 N -1.85 2.17 -1.47 4.03 1.43 -0.96 -4.87 118.68 117.15 1jj2 s LEU 87 Ca 0.41 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.98 1jj2 s LEU 87 Cb 0.27 -0.34 0.03 0.00 0.03 0.00 0.00 46.19 46.18 1jj2 s LEU 87 CO 0.18 -0.06 2.38 -0.81 0.23 0.00 0.00 176.35 178.27 1jj2 n PRO 88 N 1.96 3.25 0.08 1.29 -0.04 -1.26 -4.74 135.00 135.53 1jj2 n PRO 88 Ca -0.19 -2.65 0.04 0.00 -0.04 0.00 0.00 63.50 60.66 1jj2 n PRO 88 Cb 0.55 -3.09 0.23 0.00 -0.04 0.00 0.00 33.50 31.16 1jj2 n PRO 88 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1jj2 n HIS 89 N 4.97 0.29 0.84 0.54 1.44 -1.26 -1.40 115.22 120.65 1jj2 n HIS 89 Ca 0.58 0.15 0.11 0.00 -2.01 0.00 0.00 57.72 56.55 1jj2 n HIS 89 Cb 0.34 -0.66 0.06 0.00 0.12 0.00 0.00 29.99 29.85 1jj2 n HIS 89 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1jj2 n LYS 90 N -1.77 0.10 -2.93 -1.40 5.02 -1.26 -3.67 118.16 112.24 1jj2 n LYS 90 Ca -0.01 -0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.00 1jj2 n LYS 90 Cb 0.12 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 1jj2 n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1jj2 s LYS 91 N -3.07 3.61 0.11 1.97 1.02 -0.49 -4.90 119.74 117.98 1jj2 s LYS 91 Ca 0.07 0.15 -0.28 0.00 0.02 0.00 0.00 55.97 55.94 1jj2 s LYS 91 Cb 0.16 -2.47 -0.09 0.00 -0.52 0.00 0.00 37.83 34.91 1jj2 s LYS 91 CO 0.79 -0.03 1.63 0.37 -0.92 0.00 0.00 175.35 177.18 1jj2 h GLN 92 N 0.83 -0.50 -0.52 1.68 4.15 -1.90 0.82 115.11 119.67 1jj2 h GLN 92 Ca -0.48 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.03 1jj2 h GLN 92 Cb 1.20 0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.95 1jj2 h GLN 92 CO 0.63 -0.33 0.25 -0.09 -1.93 0.00 0.00 178.83 177.35 1jj2 h ARG 93 N -0.52 0.46 -0.36 1.69 2.43 -1.95 -0.33 114.38 115.80 1jj2 h ARG 93 Ca 0.03 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1jj2 h ARG 93 Cb 0.54 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1jj2 h ARG 93 CO -0.16 0.30 0.20 0.78 -1.51 0.00 0.00 179.97 179.58 1jj2 h GLY 94 N 0.47 0.53 1.63 2.80 0.00 -1.50 -1.72 103.07 105.28 1jj2 h GLY 94 Ca 0.24 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1jj2 h GLY 94 CO -0.19 0.23 -0.22 -0.09 0.00 0.00 0.00 176.54 176.27 1jj2 h ARG 95 N 0.45 0.44 -0.14 4.80 2.43 -0.44 -1.25 114.38 120.68 1jj2 h ARG 95 Ca 0.13 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1jj2 h ARG 95 Cb 0.05 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1jj2 h ARG 95 CO -0.02 0.64 0.06 0.93 -1.51 0.00 0.00 179.97 180.07 1jj2 h GLU 96 N 0.40 0.21 0.33 0.20 5.08 -0.73 -0.80 114.58 119.27 1jj2 h GLU 96 Ca 0.06 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1jj2 h GLU 96 Cb 0.60 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1jj2 h GLU 96 CO 0.04 0.29 -0.16 0.00 -1.00 0.00 0.00 179.01 178.18 1jj2 h ALA 97 N 0.91 -0.44 -0.92 3.43 0.00 -1.13 -2.43 119.26 118.67 1jj2 h ALA 97 Ca 0.05 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 54.99 1jj2 h ALA 97 Cb 0.16 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 1jj2 h ALA 97 CO -0.00 -0.74 0.59 0.35 0.00 0.00 0.00 179.25 179.44 1jj2 h PHE 98 N -0.46 0.92 0.00 0.00 3.57 -1.17 0.12 116.94 119.92 1jj2 h PHE 98 Ca -0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1jj2 h PHE 98 Cb 0.35 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1jj2 h PHE 98 CO -0.05 0.35 0.00 0.39 -2.23 0.00 0.00 178.31 176.77 1jj2 n GLU 99 N -4.58 0.02 -0.92 1.11 1.02 -0.31 -2.45 120.64 114.53 1jj2 n GLU 99 Ca 0.18 0.11 -0.01 0.00 -0.02 0.00 0.00 57.16 57.42 1jj2 n GLU 99 Cb 0.42 -1.52 0.33 0.00 -0.02 0.00 0.00 31.44 30.64 1jj2 n GLU 99 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1jj2 n SER 100 N -1.56 4.90 -4.02 1.62 3.41 0.40 -4.86 113.62 113.51 1jj2 n SER 100 Ca 0.06 -3.15 -0.22 0.00 -0.26 0.00 0.00 58.87 55.29 1jj2 n SER 100 Cb 0.28 -0.70 -0.16 0.00 -0.26 0.00 0.00 64.21 63.37 1jj2 n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jj2 s VAL 101 N -2.93 0.97 -0.00 -3.33 1.01 -1.03 -1.32 120.40 113.76 1jj2 s VAL 101 Ca 0.53 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1jj2 s VAL 101 Cb 0.42 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.94 1jj2 s VAL 101 CO 0.13 0.30 -0.00 -0.13 0.00 0.00 0.00 175.10 175.40 1jj2 s ARG 102 N 0.36 0.03 -0.02 2.72 0.52 -0.64 -4.99 118.95 116.93 1jj2 s ARG 102 Ca -0.07 0.00 -0.01 0.00 -0.52 0.00 0.00 55.73 55.13 1jj2 s ARG 102 Cb -0.12 -0.05 -0.04 0.00 0.52 0.00 0.00 34.95 35.26 1jj2 s ARG 102 CO 0.02 -0.01 0.07 0.08 0.02 0.00 0.00 175.30 175.48 1jj2 s VAL 103 N 0.09 4.67 0.05 3.52 1.01 -1.26 -1.19 120.40 127.29 1jj2 s VAL 103 Ca -0.01 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.67 1jj2 s VAL 103 Cb -0.01 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1jj2 s VAL 103 CO -0.00 0.41 -0.16 -0.31 0.00 0.00 0.00 175.10 175.03 1jj2 s TYR 104 N -1.13 1.43 -0.16 5.22 1.51 0.20 -4.91 117.35 119.52 1jj2 s TYR 104 Ca 0.21 -0.38 -0.25 0.00 -1.01 0.00 0.00 57.07 55.64 1jj2 s TYR 104 Cb -0.12 -0.84 -0.02 0.00 -0.11 0.00 0.00 41.96 40.88 1jj2 s TYR 104 CO 0.11 0.07 0.81 -0.51 -1.11 0.00 0.00 175.55 174.92 1jj2 s LEU 105 N -1.29 4.19 0.00 -1.29 1.43 -1.26 -1.66 118.68 118.79 1jj2 s LEU 105 Ca 0.03 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 1jj2 s LEU 105 Cb -0.09 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1jj2 s LEU 105 CO 0.02 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 176.84 1jj2 n GLY 106 N 3.44 -0.22 2.73 -3.19 0.00 -1.26 -4.68 105.19 102.02 1jj2 n GLY 106 Ca 0.04 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 1jj2 n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jj2 s ASN 107 N -4.00 3.85 0.00 1.61 3.04 -1.26 -0.25 114.94 117.93 1jj2 s ASN 107 Ca 0.00 -1.49 0.25 0.00 0.04 0.00 0.00 52.86 51.66 1jj2 s ASN 107 Cb 0.00 -0.81 1.50 0.00 -1.54 0.00 0.00 41.25 40.40 1jj2 s ASN 107 CO 0.00 -0.40 1.89 -0.81 -3.04 0.00 0.00 177.10 174.74 1jj2 n PRO 108 N 4.90 0.86 -2.98 0.43 -0.04 -1.26 -4.82 135.00 132.08 1jj2 n PRO 108 Ca -0.04 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.22 1jj2 n PRO 108 Cb 0.43 -1.46 0.02 0.00 -0.04 0.00 0.00 33.50 32.44 1jj2 n PRO 108 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1jj2 s TYR 109 N -2.00 3.01 -0.18 0.54 1.51 -1.26 -5.04 117.35 113.93 1jj2 s TYR 109 Ca 0.38 -0.06 -0.24 0.00 -1.01 0.00 0.00 57.07 56.13 1jj2 s TYR 109 Cb 0.17 -2.40 -0.22 0.00 -0.11 0.00 0.00 41.96 39.41 1jj2 s TYR 109 CO 0.29 -0.46 0.43 -0.44 -1.11 0.00 0.00 175.55 174.26 1jj2 h ASP 110 N 0.44 0.00 -4.20 2.29 3.32 -2.06 -3.46 116.42 112.75 1jj2 h ASP 110 Ca -0.44 -0.70 -0.53 0.00 0.02 0.00 0.00 57.03 55.38 1jj2 h ASP 110 Cb 1.27 0.00 0.17 0.00 0.22 0.00 0.00 39.33 40.99 1jj2 h ASP 110 CO 0.52 1.29 0.36 -1.61 -1.72 0.00 0.00 179.24 178.08 1jj2 s GLU 111 N -2.30 1.82 -0.19 3.56 2.02 -1.26 -4.98 118.70 117.36 1jj2 s GLU 111 Ca -0.25 1.74 -0.12 0.00 0.02 0.00 0.00 54.97 56.36 1jj2 s GLU 111 Cb 0.02 -1.80 -0.05 0.00 0.10 0.00 0.00 34.13 32.41 1jj2 s GLU 111 CO 0.63 -2.08 0.24 -0.51 0.02 0.00 0.00 175.26 173.56 1jj2 s ASP 112 N -2.16 6.32 1.13 -0.19 1.11 -1.26 -5.04 116.67 116.58 1jj2 s ASP 112 Ca 0.73 0.36 -0.13 0.00 0.18 0.00 0.00 52.55 53.69 1jj2 s ASP 112 Cb -0.28 -2.15 0.24 0.00 1.07 0.00 0.00 42.92 41.80 1jj2 s ASP 112 CO 0.49 0.09 0.90 0.61 1.18 0.00 0.00 175.17 178.44 1jj2 n GLY 113 N 3.66 -1.82 3.96 0.21 0.00 -1.26 -5.01 105.19 104.92 1jj2 n GLY 113 Ca -0.13 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.62 1jj2 n GLY 113 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jj2 s GLU 114 N -4.30 3.35 -0.24 1.61 -1.05 0.62 -4.54 118.70 114.15 1jj2 s GLU 114 Ca 0.67 -0.54 -0.08 0.00 -0.15 0.00 0.00 54.97 54.86 1jj2 s GLU 114 Cb -0.23 -2.71 -0.04 0.00 -0.44 0.00 0.00 34.13 30.71 1jj2 s GLU 114 CO 0.64 0.12 0.09 0.08 0.95 0.00 0.00 175.26 177.14 1jj2 s VAL 115 N -2.27 4.59 0.47 1.83 1.01 -1.26 -1.01 120.40 123.77 1jj2 s VAL 115 Ca 0.41 -0.08 -0.21 0.00 0.00 0.00 0.00 61.98 62.09 1jj2 s VAL 115 Cb -0.10 -3.14 -0.08 0.00 0.00 0.00 0.00 36.38 33.07 1jj2 s VAL 115 CO 0.34 0.35 1.06 -0.76 0.00 0.00 0.00 175.10 176.09 1jj2 s LEU 116 N 1.37 3.91 0.26 3.92 1.43 -1.26 -4.98 118.68 123.32 1jj2 s LEU 116 Ca 0.06 2.00 -0.30 0.00 -1.03 0.00 0.00 54.13 54.86 1jj2 s LEU 116 Cb -0.15 -4.47 -0.10 0.00 0.03 0.00 0.00 46.19 41.51 1jj2 s LEU 116 CO 0.04 -0.78 1.38 -1.81 0.23 0.00 0.00 176.35 175.42 1jj2 s ASP 117 N -1.84 6.73 -1.04 2.29 1.01 -1.26 -3.23 116.67 119.33 1jj2 s ASP 117 Ca 0.66 2.62 0.00 0.00 0.71 0.00 0.00 52.55 56.53 1jj2 s ASP 117 Cb -0.19 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.11 1jj2 s ASP 117 CO 0.23 -0.62 0.00 0.61 0.21 0.00 0.00 175.17 175.60 1jj2 n GLY 118 N 1.88 0.60 0.00 0.21 0.00 -1.26 -4.88 105.19 101.73 1jj2 n GLY 118 Ca 0.05 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1jj2 n GLY 118 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jj2 n THR 119 N -3.32 0.00 -2.73 2.61 -2.24 -1.20 -4.96 114.28 102.44 1jj2 n THR 119 Ca -0.12 -0.40 -0.40 0.00 -2.27 0.00 0.00 64.05 60.86 1jj2 n THR 119 Cb 0.47 0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 69.55 1jj2 n THR 119 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1jj2 s SER 120 N -1.25 7.62 -0.17 3.42 0.15 -1.26 0.29 113.70 122.50 1jj2 s SER 120 Ca 0.00 1.96 -0.03 0.00 0.70 0.00 0.00 55.95 58.58 1jj2 s SER 120 Cb 0.00 -2.61 -0.02 0.00 -1.71 0.00 0.00 66.02 61.68 1jj2 s SER 120 CO 0.03 0.13 -0.05 -0.22 1.20 0.00 0.00 173.24 174.32 1jj2 s LEU 121 N -1.11 3.10 -0.56 3.45 2.96 -0.01 -4.87 118.68 121.65 1jj2 s LEU 121 Ca 0.42 -0.21 -0.26 0.00 -0.22 0.00 0.00 54.13 53.85 1jj2 s LEU 121 Cb -0.26 -1.75 0.04 0.00 0.50 0.00 0.00 46.19 44.71 1jj2 s LEU 121 CO 0.32 0.13 1.06 -0.62 -1.32 0.00 0.00 176.35 175.92 1jj2 s ASP 122 N 0.62 6.40 0.59 3.68 -1.08 -1.26 -4.89 116.67 120.73 1jj2 s ASP 122 Ca -0.03 -0.10 0.30 0.00 -0.52 0.00 0.00 52.55 52.19 1jj2 s ASP 122 Cb -0.15 -2.49 1.73 0.00 -1.46 0.00 0.00 42.92 40.55 1jj2 s ASP 122 CO 0.03 -1.34 2.15 0.03 0.52 0.00 0.00 175.17 176.56 1jj2 h ARG 123 N 9.41 0.00 0.00 4.34 3.08 -1.95 -1.77 114.38 127.49 1jj2 h ARG 123 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1jj2 h ARG 123 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1jj2 h ARG 123 CO 1.13 0.00 0.00 -0.07 -1.07 0.00 0.00 179.97 179.96 1jj2 h LEU 124 N 0.00 0.00 -2.98 3.04 3.38 -2.06 -3.20 115.31 113.50 1jj2 h LEU 124 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jj2 h LEU 124 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1jj2 h LEU 124 CO -0.00 0.00 -0.01 -1.54 0.09 0.00 0.00 178.44 176.98 1jj2 n SER 125 N -2.73 2.26 -3.71 -0.43 3.41 -0.69 -5.00 113.62 106.73 1jj2 n SER 125 Ca 0.03 -2.95 -0.13 0.00 -0.26 0.00 0.00 58.87 55.57 1jj2 n SER 125 Cb 0.40 -0.38 -0.13 0.00 -0.26 0.00 0.00 64.21 63.85 1jj2 n SER 125 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1jj2 s ASN 126 N -2.63 -0.12 0.00 4.04 0.01 -1.07 -5.02 114.94 110.15 1jj2 s ASN 126 Ca 0.28 0.55 0.00 0.00 -0.71 0.00 0.00 52.86 52.97 1jj2 s ASN 126 Cb 0.24 0.48 0.00 0.00 0.41 0.00 0.00 41.25 42.38 1jj2 s ASN 126 CO 0.03 -0.18 0.00 -0.38 -1.51 0.00 0.00 177.10 175.05 1jj2 n ILE 127 N 4.49 0.00 -3.24 0.60 5.41 -1.26 -4.72 119.36 120.65 1jj2 n ILE 127 Ca -0.21 0.00 -0.46 0.00 1.00 0.00 0.00 62.75 63.08 1jj2 n ILE 127 Cb 0.52 0.23 -0.02 0.00 -0.71 0.00 0.00 39.64 39.66 1jj2 n ILE 127 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1jj2 s LYS 128 N -1.97 3.59 0.12 0.38 1.02 -1.26 -4.94 119.74 116.67 1jj2 s LYS 128 Ca 0.00 -2.28 -0.26 0.00 0.02 0.00 0.00 55.97 53.45 1jj2 s LYS 128 Cb 0.00 -4.54 0.07 0.00 -0.52 0.00 0.00 37.83 32.85 1jj2 s LYS 128 CO 0.00 -1.40 0.96 -0.59 -0.92 0.00 0.00 175.35 173.40 1jj2 s PHE 129 N 0.78 -0.17 0.04 3.18 -0.12 -1.14 -1.46 117.98 119.09 1jj2 s PHE 129 Ca 0.21 -0.10 -0.02 0.00 -0.05 0.00 0.00 56.93 56.97 1jj2 s PHE 129 Cb -0.09 0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 42.88 1jj2 s PHE 129 CO -0.09 -0.75 -0.01 0.08 -0.05 0.00 0.00 175.22 174.40 1jj2 s VAL 130 N -3.22 0.18 0.04 -2.49 1.01 -0.56 -4.82 120.40 110.55 1jj2 s VAL 130 Ca 0.11 -1.50 -0.16 0.00 0.00 0.00 0.00 61.98 60.43 1jj2 s VAL 130 Cb -0.01 -1.16 -0.06 0.00 0.00 0.00 0.00 36.38 35.15 1jj2 s VAL 130 CO -0.00 -0.83 0.46 -0.89 0.00 0.00 0.00 175.10 173.84 1jj2 s THR 131 N -3.22 4.94 0.27 3.92 2.01 -1.26 -1.70 115.64 120.60 1jj2 s THR 131 Ca 0.00 0.92 -0.03 0.00 0.31 0.00 0.00 61.69 62.90 1jj2 s THR 131 Cb 0.03 -3.76 0.27 0.00 0.01 0.00 0.00 72.50 69.04 1jj2 s THR 131 CO -0.07 0.53 1.90 -0.07 -0.69 0.00 0.00 174.62 176.21 1jj2 h LEU 132 N 4.50 1.06 -0.87 4.42 3.38 -1.41 -0.45 115.31 125.93 1jj2 h LEU 132 Ca -0.51 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.54 1jj2 h LEU 132 Cb 1.21 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.66 1jj2 h LEU 132 CO 0.63 0.71 0.52 1.23 0.09 0.00 0.00 178.44 181.62 1jj2 h GLY 133 N 1.22 1.33 1.04 0.83 0.00 -1.50 -0.07 103.07 105.92 1jj2 h GLY 133 Ca 0.41 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 1jj2 h GLY 133 CO -0.14 0.21 0.08 0.83 0.00 0.00 0.00 176.54 177.52 1jj2 h GLU 134 N 0.92 0.99 -0.31 4.80 5.08 -1.39 -1.81 114.58 122.86 1jj2 h GLU 134 Ca 0.40 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1jj2 h GLU 134 Cb 0.27 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1jj2 h GLU 134 CO -0.21 0.95 0.16 0.82 -1.00 0.00 0.00 179.01 179.73 1jj2 h ILE 135 N 0.89 1.00 -0.50 3.13 2.04 -0.13 -1.32 117.51 122.62 1jj2 h ILE 135 Ca 0.18 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1jj2 h ILE 135 Cb 0.45 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1jj2 h ILE 135 CO 0.01 0.06 0.24 0.28 0.00 0.00 0.00 178.15 178.74 1jj2 h SER 136 N 0.33 0.63 -0.59 1.72 0.02 -0.85 -0.11 113.55 114.70 1jj2 h SER 136 Ca 0.13 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 1jj2 h SER 136 Cb 0.03 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1jj2 h SER 136 CO -0.08 0.54 -0.00 -0.33 -1.14 0.00 0.00 176.83 175.82 1jj2 h GLU 137 N 0.71 1.04 -0.59 3.45 5.08 -0.69 0.13 114.58 123.72 1jj2 h GLU 137 Ca 0.18 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1jj2 h GLU 137 Cb 0.08 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1jj2 h GLU 137 CO -0.02 1.03 0.07 1.15 -1.00 0.00 0.00 179.01 180.24 1jj2 h THR 138 N 0.94 1.26 0.00 1.13 2.02 -0.51 -2.52 112.91 115.23 1jj2 h THR 138 Ca 0.17 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.32 1jj2 h THR 138 Cb 0.56 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1jj2 h THR 138 CO 0.03 0.37 0.00 -0.07 0.37 0.00 0.00 175.52 176.23 1jj2 h LEU 139 N 0.89 0.00 0.00 2.58 3.38 -0.71 -3.46 115.31 117.99 1jj2 h LEU 139 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1jj2 h LEU 139 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1jj2 h LEU 139 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1jj2 n GLY 140 N -0.45 0.76 3.52 0.83 0.00 -0.82 -5.08 105.19 103.96 1jj2 n GLY 140 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1jj2 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jj2 n ALA 141 N -1.20 -1.82 -2.59 4.61 0.00 0.40 -4.93 120.51 114.99 1jj2 n ALA 141 Ca 0.00 -0.57 -0.43 0.00 0.00 0.00 0.00 53.44 52.44 1jj2 n ALA 141 Cb 0.00 -1.97 -0.07 0.00 0.00 0.00 0.00 19.45 17.41 1jj2 n ALA 141 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1jj2 s ASN 142 N -2.24 6.24 -0.92 0.00 3.84 -1.26 -4.71 114.94 115.88 1jj2 s ASN 142 Ca 0.61 -0.68 -0.26 0.00 0.21 0.00 0.00 52.86 52.75 1jj2 s ASN 142 Cb -0.22 -2.27 -0.19 0.00 -0.55 0.00 0.00 41.25 38.02 1jj2 s ASN 142 CO 0.63 -0.73 2.24 1.17 -2.79 0.00 0.00 177.10 177.62 1jj2 n LYS 143 N 5.95 0.31 -0.68 0.43 4.81 -1.26 -4.65 118.16 123.07 1jj2 n LYS 143 Ca -0.06 -1.23 -0.03 0.00 -0.87 0.00 0.00 58.31 56.12 1jj2 n LYS 143 Cb 0.47 -3.72 0.21 0.00 0.02 0.00 0.00 35.03 32.01 1jj2 n LYS 143 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1jj2 n THR 144 N 8.82 2.07 -0.88 3.15 5.66 -1.26 -5.23 114.28 126.62 1jj2 n THR 144 Ca 0.44 -1.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.38 1jj2 n THR 144 Cb 0.44 -0.46 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 1jj2 n THR 144 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35