#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rja n GLU 2 N 0.00 0.00 0.02 1.43 0.00 -1.26 -5.05 120.64 115.77 1rja n GLU 2 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 56.98 1rja n GLU 2 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 31.44 31.30 1rja n GLU 2 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 1rja h PRO 3 N 0.00 0.21 -3.36 3.44 0.13 -1.86 -2.69 132.00 127.87 1rja h PRO 3 Ca 0.00 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1rja h PRO 3 Cb 0.00 0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.25 1rja h PRO 3 CO 0.00 1.04 -0.25 0.91 -0.23 0.00 0.00 178.00 179.47 1rja n TRP 4 N -3.39 -0.77 -2.14 1.56 8.01 -1.26 -3.28 117.44 116.18 1rja n TRP 4 Ca -0.25 0.41 -0.42 0.00 -1.31 0.00 0.00 57.50 55.93 1rja n TRP 4 Cb 1.05 -1.94 -0.03 0.00 -2.01 0.00 0.00 31.31 28.39 1rja n TRP 4 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.69 176.09 1rja s PHE 5 N -0.18 2.42 -0.53 -5.99 -0.71 -1.26 -2.87 117.98 108.87 1rja s PHE 5 Ca -0.03 0.53 0.04 0.00 -1.04 0.00 0.00 56.93 56.42 1rja s PHE 5 Cb 0.00 -3.77 0.15 0.00 -1.21 0.00 0.00 43.02 38.19 1rja s PHE 5 CO 0.14 -3.07 0.35 -0.06 -1.34 0.00 0.00 175.22 171.24 1rja s PHE 6 N 3.34 2.45 -2.00 3.49 0.08 0.46 -4.91 117.98 120.88 1rja s PHE 6 Ca 0.67 -2.78 0.13 0.00 0.12 0.00 0.00 56.93 55.07 1rja s PHE 6 Cb -0.31 -2.06 0.79 0.00 -0.57 0.00 0.00 43.02 40.87 1rja s PHE 6 CO 0.26 -0.71 1.43 0.41 -0.10 0.00 0.00 175.22 176.51 1rja n GLY 7 N 2.84 -0.89 0.11 4.36 0.00 -1.26 -3.01 105.19 107.34 1rja n GLY 7 Ca 0.16 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.19 1rja n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rja s ILE 9 N -2.62 3.75 0.77 0.00 -5.25 -1.16 -5.11 121.20 111.58 1rja s ILE 9 Ca 0.29 -0.37 -0.12 0.00 -0.99 0.00 0.00 60.65 59.46 1rja s ILE 9 Cb 0.26 -2.71 0.05 0.00 2.95 0.00 0.00 42.46 43.01 1rja s ILE 9 CO 0.03 0.41 1.14 -0.55 -1.79 0.00 0.00 174.94 174.18 1rja s SER 10 N 1.29 4.87 0.62 4.36 0.15 -1.26 -4.76 113.70 118.96 1rja s SER 10 Ca 0.04 0.96 0.31 0.00 0.70 0.00 0.00 55.95 57.96 1rja s SER 10 Cb -0.15 -1.59 1.75 0.00 -1.71 0.00 0.00 66.02 64.33 1rja s SER 10 CO 0.00 -1.69 2.09 -0.09 1.20 0.00 0.00 173.24 174.75 1rja h ARG 11 N -0.90 0.00 -0.32 5.44 2.43 -1.99 0.23 114.38 119.27 1rja h ARG 11 Ca -0.46 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.54 1rja h ARG 11 Cb 1.29 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1rja h ARG 11 CO 0.65 0.00 -0.46 0.77 -1.51 0.00 0.00 179.97 179.41 1rja h SER 12 N 0.00 0.93 0.24 -3.80 0.02 -2.00 -2.84 113.55 106.10 1rja h SER 12 Ca 0.07 -0.46 -0.01 0.00 -0.84 0.00 0.00 61.79 60.55 1rja h SER 12 Cb 0.51 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1rja h SER 12 CO -0.00 1.24 -0.12 -0.33 -1.14 0.00 0.00 176.83 176.48 1rja h GLU 13 N 0.68 -0.32 -1.04 3.45 4.39 -1.31 -3.08 114.58 117.35 1rja h GLU 13 Ca 0.04 0.02 0.30 0.00 0.34 0.00 0.00 59.36 60.06 1rja h GLU 13 Cb 1.05 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.73 1rja h GLU 13 CO 0.11 -0.01 0.74 0.00 -1.16 0.00 0.00 179.01 178.69 1rja h ALA 14 N -0.67 2.95 0.10 3.43 0.00 -1.55 1.87 119.26 125.40 1rja h ALA 14 Ca -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1rja h ALA 14 Cb 0.45 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1rja h ALA 14 CO 0.05 -1.25 -0.05 0.28 0.00 0.00 0.00 179.25 178.28 1rja h VAL 15 N 0.02 1.09 0.00 0.00 2.07 -1.52 0.04 116.25 117.95 1rja h VAL 15 Ca 0.50 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1rja h VAL 15 Cb 1.96 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1rja h VAL 15 CO -0.02 0.20 -0.30 0.03 0.02 0.00 0.00 177.57 177.50 1rja h ARG 16 N -0.54 0.00 0.01 1.57 3.08 -0.89 -3.00 114.38 114.60 1rja h ARG 16 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1rja h ARG 16 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1rja h ARG 16 CO 0.02 0.00 -0.00 -0.09 -1.07 0.00 0.00 179.97 178.83 1rja h ARG 17 N 0.00 -0.01 -0.74 0.04 2.43 0.28 -1.87 114.38 114.51 1rja h ARG 17 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1rja h ARG 17 Cb 0.87 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 1rja h ARG 17 CO 0.00 0.83 0.41 -0.07 -1.51 0.00 0.00 179.97 179.62 1rja h LEU 18 N -0.93 0.92 -0.79 3.80 -0.00 -1.10 -2.07 115.31 115.15 1rja h LEU 18 Ca -0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1rja h LEU 18 Cb 0.84 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 1rja h LEU 18 CO 0.00 0.75 0.00 1.56 -0.00 0.00 0.00 178.44 180.75 1rja h GLN 19 N 1.02 0.00 -6.32 1.13 1.08 -1.63 -3.41 115.11 106.98 1rja h GLN 19 Ca 0.26 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.98 1rja h GLN 19 Cb 0.03 0.00 0.25 0.00 -0.05 0.00 0.00 27.48 27.70 1rja h GLN 19 CO -0.04 0.00 -1.87 0.00 -0.95 0.00 0.00 178.83 175.96 1rja n ALA 20 N -2.00 -4.94 0.95 3.87 0.00 -0.70 -4.81 120.51 112.87 1rja n ALA 20 Ca 0.02 -1.25 0.03 0.00 0.00 0.00 0.00 53.44 52.24 1rja n ALA 20 Cb 0.36 -1.17 0.12 0.00 0.00 0.00 0.00 19.45 18.75 1rja n ALA 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rja n GLU 21 N 0.39 1.80 0.00 0.00 4.71 -1.26 -3.22 120.64 123.06 1rja n GLU 21 Ca -0.00 -0.92 0.11 0.00 -0.01 0.00 0.00 57.16 56.34 1rja n GLU 21 Cb 0.68 -1.38 0.06 0.00 -1.01 0.00 0.00 31.44 29.79 1rja n GLU 21 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1rja n GLY 22 N 0.66 -0.64 3.28 0.62 0.00 -1.26 -4.87 105.19 102.98 1rja n GLY 22 Ca 0.08 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 1rja n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rja s ASN 23 N -2.75 3.79 -0.92 1.61 0.02 -1.20 -4.66 114.94 110.84 1rja s ASN 23 Ca 0.15 -0.44 -0.00 0.00 -1.02 0.00 0.00 52.86 51.54 1rja s ASN 23 Cb 0.17 -1.59 0.30 0.00 0.02 0.00 0.00 41.25 40.15 1rja s ASN 23 CO 0.69 0.08 1.36 0.00 0.02 0.00 0.00 177.10 179.25 1rja n ALA 24 N 4.11 5.12 -1.63 0.60 0.00 -1.26 -4.91 120.51 122.54 1rja n ALA 24 Ca -0.19 -4.75 0.00 0.00 0.00 0.00 0.00 53.44 48.51 1rja n ALA 24 Cb 0.52 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1rja n ALA 24 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rja n THR 25 N 0.71 -4.69 0.00 0.00 -2.24 -1.26 -4.67 114.28 102.12 1rja n THR 25 Ca 0.32 2.16 0.00 0.00 -2.27 0.00 0.00 64.05 64.27 1rja n THR 25 Cb 0.34 -3.02 0.00 0.00 -2.10 0.00 0.00 70.33 65.55 1rja n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rja n GLY 26 N -1.05 2.77 3.52 3.38 0.00 0.82 -4.29 105.19 110.34 1rja n GLY 26 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 46.02 45.38 1rja n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rja n ALA 27 N -0.13 -0.67 -2.44 4.61 0.00 -1.22 -2.68 120.51 117.98 1rja n ALA 27 Ca 0.00 0.36 -0.22 0.00 0.00 0.00 0.00 53.44 53.58 1rja n ALA 27 Cb 0.00 -1.98 -0.10 0.00 0.00 0.00 0.00 19.45 17.37 1rja n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1rja s PHE 28 N 4.29 2.03 -0.20 0.00 -0.71 -0.39 -0.75 117.98 122.25 1rja s PHE 28 Ca 1.11 -0.59 -0.20 0.00 -1.04 0.00 0.00 56.93 56.21 1rja s PHE 28 Cb -1.49 -1.08 0.06 0.00 -1.21 0.00 0.00 43.02 39.29 1rja s PHE 28 CO 0.75 0.41 0.57 -0.48 -1.34 0.00 0.00 175.22 175.13 1rja s LEU 29 N -3.46 -0.20 -0.28 -1.99 -0.00 -0.73 -1.57 118.68 110.45 1rja s LEU 29 Ca 0.29 1.11 -0.07 0.00 -0.00 0.00 0.00 54.13 55.45 1rja s LEU 29 Cb 0.01 1.99 -0.01 0.00 -0.00 0.00 0.00 46.19 48.19 1rja s LEU 29 CO 0.12 -0.23 0.08 -0.63 -0.00 0.00 0.00 176.35 175.70 1rja s ILE 30 N 0.18 4.14 0.49 1.48 -1.09 -1.14 -2.18 121.20 123.09 1rja s ILE 30 Ca -0.01 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 57.96 1rja s ILE 30 Cb -0.04 -3.06 0.03 0.00 -1.58 0.00 0.00 42.46 37.81 1rja s ILE 30 CO 0.01 0.17 0.28 -2.11 -1.23 0.00 0.00 174.94 172.07 1rja n ARG 31 N 4.90 0.78 -3.31 2.79 0.00 -0.27 0.17 116.66 121.72 1rja n ARG 31 Ca -0.15 -3.21 -0.38 0.00 -0.00 0.00 0.00 57.85 54.11 1rja n ARG 31 Cb 0.49 0.48 -0.06 0.00 -0.00 0.00 0.00 32.46 33.37 1rja n ARG 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1rja s VAL 32 N -2.54 5.17 -0.70 8.89 -7.23 -1.24 -1.34 120.40 121.41 1rja s VAL 32 Ca 0.21 0.90 -0.34 0.00 -1.81 0.00 0.00 61.98 60.94 1rja s VAL 32 Cb -0.02 -3.80 -0.17 0.00 0.56 0.00 0.00 36.38 32.95 1rja s VAL 32 CO 0.14 0.27 2.44 -1.20 -0.31 0.00 0.00 175.10 176.44 1rja n SER 33 N 4.13 1.00 0.24 4.85 7.64 -1.09 -4.68 113.62 125.70 1rja n SER 33 Ca -0.07 0.24 0.16 0.00 1.01 0.00 0.00 58.87 60.22 1rja n SER 33 Cb 0.51 -1.07 0.76 0.00 -1.01 0.00 0.00 64.21 63.40 1rja n SER 33 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1rja h GLU 34 N 12.44 0.00 0.00 1.43 3.07 -1.93 -3.36 114.58 126.23 1rja h GLU 34 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1rja h GLU 34 Cb 1.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 1rja h GLU 34 CO 1.22 0.00 -0.07 0.36 -1.40 0.00 0.00 179.01 179.13 1rja n LYS 35 N -2.75 0.04 -0.84 2.33 0.00 -1.26 -5.08 118.16 110.60 1rja n LYS 35 Ca -0.00 0.01 -0.35 0.00 -0.00 0.00 0.00 58.31 57.97 1rja n LYS 35 Cb 0.19 -0.37 0.10 0.00 -0.00 0.00 0.00 35.03 34.94 1rja n LYS 35 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1rja n PRO 36 N -3.13 -0.67 0.00 -1.58 -0.02 -1.26 -5.00 135.00 123.35 1rja n PRO 36 Ca -0.01 -0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1rja n PRO 36 Cb 0.04 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1rja n PRO 36 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1rja n SER 37 N 0.70 0.00 -2.43 2.55 7.64 -1.26 -4.58 113.62 116.24 1rja n SER 37 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 1rja n SER 37 Cb 0.64 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.77 1rja n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rja n ALA 38 N -3.00 6.42 -2.87 -0.43 0.00 -1.26 -4.71 120.51 114.66 1rja n ALA 38 Ca 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 53.44 50.54 1rja n ALA 38 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.30 1rja n ALA 38 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rja n ASP 39 N 1.04 0.54 -3.83 0.00 8.00 -1.26 -4.79 116.55 116.24 1rja n ASP 39 Ca 0.48 -0.60 -0.13 0.00 0.71 0.00 0.00 54.79 55.25 1rja n ASP 39 Cb 0.59 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.55 1rja n ASP 39 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1rja s TYR 40 N 0.97 -0.05 -0.14 1.24 1.51 -0.35 -2.68 117.35 117.85 1rja s TYR 40 Ca 0.00 0.16 -0.04 0.00 -1.01 0.00 0.00 57.07 56.17 1rja s TYR 40 Cb 0.00 -0.03 -0.03 0.00 -0.11 0.00 0.00 41.96 41.78 1rja s TYR 40 CO 0.00 -0.05 0.01 0.14 -1.11 0.00 0.00 175.55 174.54 1rja s VAL 41 N 0.29 4.34 -0.14 0.71 -7.23 -0.45 0.21 120.40 118.14 1rja s VAL 41 Ca -0.02 -0.21 -0.02 0.00 -1.81 0.00 0.00 61.98 59.91 1rja s VAL 41 Cb -0.03 -2.89 -0.02 0.00 0.56 0.00 0.00 36.38 34.00 1rja s VAL 41 CO -0.01 0.53 -0.07 -0.22 -0.31 0.00 0.00 175.10 175.02 1rja s LEU 42 N -0.15 3.07 0.29 1.32 2.96 0.24 -1.11 118.68 125.30 1rja s LEU 42 Ca 0.05 -0.19 0.11 0.00 -0.22 0.00 0.00 54.13 53.88 1rja s LEU 42 Cb -0.13 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 1rja s LEU 42 CO 0.02 0.17 -0.16 -0.94 -1.32 0.00 0.00 176.35 174.12 1rja s SER 43 N 0.33 3.72 -0.09 3.68 1.04 -0.93 0.21 113.70 121.67 1rja s SER 43 Ca -0.06 -1.01 -0.15 0.00 0.48 0.00 0.00 55.95 55.21 1rja s SER 43 Cb -0.15 -0.37 0.03 0.00 0.10 0.00 0.00 66.02 65.64 1rja s SER 43 CO 0.04 -0.00 0.36 0.54 0.98 0.00 0.00 173.24 175.16 1rja s VAL 44 N -2.50 0.02 -1.14 5.02 0.11 -0.63 -1.77 120.40 119.50 1rja s VAL 44 Ca 0.31 -0.19 0.17 0.00 -2.93 0.00 0.00 61.98 59.33 1rja s VAL 44 Cb -0.04 -0.58 0.19 0.00 -1.53 0.00 0.00 36.38 34.42 1rja s VAL 44 CO 0.16 -0.11 1.54 -1.14 -3.33 0.00 0.00 175.10 172.22 1rja n ARG 45 N 2.14 0.08 0.00 1.54 0.63 0.07 -0.62 116.66 120.51 1rja n ARG 45 Ca -0.17 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1rja n ARG 45 Cb 0.57 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.98 1rja n ARG 45 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1rja n ASP 46 N -1.43 0.00 -0.02 6.15 5.75 -1.26 -0.79 116.55 124.95 1rja n ASP 46 Ca 0.05 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 54.86 1rja n ASP 46 Cb 0.18 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.25 1rja n ASP 46 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1rja n THR 47 N 0.00 0.00 0.00 2.12 5.66 -1.26 -0.13 114.28 120.67 1rja n THR 47 Ca 0.00 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 1rja n THR 47 Cb 0.00 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 69.79 1rja n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rja n GLN 48 N -0.97 0.00 -0.02 1.09 6.02 0.03 -4.88 117.38 118.66 1rja n GLN 48 Ca 0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.98 1rja n GLN 48 Cb 0.07 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.35 1rja n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rja n ALA 49 N -2.53 -0.33 -2.87 -1.58 0.00 -1.25 -4.62 120.51 107.33 1rja n ALA 49 Ca 0.00 -0.10 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 1rja n ALA 49 Cb 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 19.45 19.31 1rja n ALA 49 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rja s VAL 50 N -1.07 3.40 -0.34 0.00 1.01 -1.26 -4.03 120.40 118.11 1rja s VAL 50 Ca 0.04 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1rja s VAL 50 Cb -0.01 -2.43 0.09 0.00 0.00 0.00 0.00 36.38 34.03 1rja s VAL 50 CO 0.04 0.54 0.06 -0.13 0.00 0.00 0.00 175.10 175.61 1rja s ARG 51 N -0.00 1.90 0.45 2.72 0.52 0.21 -4.93 118.95 119.81 1rja s ARG 51 Ca -0.02 -1.68 -0.11 0.00 -0.52 0.00 0.00 55.73 53.39 1rja s ARG 51 Cb -0.14 -3.26 -0.06 0.00 0.52 0.00 0.00 34.95 32.00 1rja s ARG 51 CO 0.03 -0.87 0.83 -1.01 0.02 0.00 0.00 175.30 174.31 1rja s HIS 52 N 1.06 3.49 0.06 -0.53 3.76 -1.26 -1.61 115.29 120.25 1rja s HIS 52 Ca 0.05 1.13 -0.07 0.00 -0.15 0.00 0.00 55.06 56.01 1rja s HIS 52 Cb -0.20 -2.52 -0.01 0.00 1.11 0.00 0.00 32.58 30.96 1rja s HIS 52 CO -0.05 -0.21 0.15 0.71 -0.85 0.00 0.00 174.74 174.48 1rja s TYR 53 N -2.51 0.17 -0.28 1.40 2.02 0.58 -4.90 117.35 113.84 1rja s TYR 53 Ca 0.53 -0.53 -0.08 0.00 -0.37 0.00 0.00 57.07 56.62 1rja s TYR 53 Cb -0.10 -0.10 -0.01 0.00 -0.40 0.00 0.00 41.96 41.34 1rja s TYR 53 CO 0.34 -0.46 0.10 0.21 -1.57 0.00 0.00 175.55 174.17 1rja s LYS 54 N -3.23 3.42 -0.58 -0.62 2.36 -1.26 0.80 119.74 120.63 1rja s LYS 54 Ca 0.00 -0.65 -0.11 0.00 -2.55 0.00 0.00 55.97 52.66 1rja s LYS 54 Cb 0.02 -3.40 0.15 0.00 -1.05 0.00 0.00 37.83 33.55 1rja s LYS 54 CO -0.08 -0.32 0.48 0.42 1.55 0.00 0.00 175.35 177.40 1rja s ILE 55 N 1.58 4.69 0.17 5.43 1.01 0.58 -4.00 121.20 130.66 1rja s ILE 55 Ca 0.05 -1.98 -0.24 0.00 0.00 0.00 0.00 60.65 58.48 1rja s ILE 55 Cb -0.16 -4.02 -0.08 0.00 0.01 0.00 0.00 42.46 38.21 1rja s ILE 55 CO 0.04 -0.86 0.75 0.86 0.00 0.00 0.00 174.94 175.73 1rja s TRP 56 N 1.03 3.86 0.36 3.97 -0.11 -1.13 -1.22 118.94 125.70 1rja s TRP 56 Ca 0.09 1.56 -0.07 0.00 1.22 0.00 0.00 56.10 58.90 1rja s TRP 56 Cb -0.23 -2.72 -0.06 0.00 -1.50 0.00 0.00 33.47 28.96 1rja s TRP 56 CO -0.02 0.50 0.67 0.50 -4.62 0.00 0.00 176.95 173.98 1rja s ARG 57 N -1.27 3.69 -0.36 5.86 3.52 -1.26 -0.49 118.95 128.63 1rja s ARG 57 Ca 0.36 0.22 0.00 0.00 -0.13 0.00 0.00 55.73 56.19 1rja s ARG 57 Cb -0.22 -2.51 0.35 0.00 -1.56 0.00 0.00 34.95 31.02 1rja s ARG 57 CO 0.25 0.06 1.83 0.54 -0.81 0.00 0.00 175.30 177.17 1rja n ARG 58 N -1.25 1.95 -3.76 5.12 1.74 0.19 -4.88 116.66 115.77 1rja n ARG 58 Ca 0.00 -2.02 -0.33 0.00 -0.77 0.00 0.00 57.85 54.73 1rja n ARG 58 Cb 0.54 -1.79 0.03 0.00 -1.02 0.00 0.00 32.46 30.22 1rja n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rja n ALA 59 N -0.27 -2.59 0.00 7.54 0.00 -1.26 -4.37 120.51 119.55 1rja n ALA 59 Ca 0.39 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1rja n ALA 59 Cb 0.89 -3.30 0.00 0.00 0.00 0.00 0.00 19.45 17.04 1rja n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rja n GLY 60 N -1.79 1.52 0.00 0.00 0.00 -1.26 -5.04 105.19 98.62 1rja n GLY 60 Ca -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1rja n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rja n GLY 61 N 0.00 -1.73 0.00 -0.02 0.00 -1.26 -5.15 105.19 97.03 1rja n GLY 61 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.85 1rja n GLY 61 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rja n ARG 62 N 0.00 0.00 -3.32 1.61 0.63 0.13 -4.24 116.66 111.47 1rja n ARG 62 Ca 0.00 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.59 1rja n ARG 62 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 1rja n ARG 62 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1rja s LEU 63 N 0.00 4.28 -0.28 6.15 2.01 0.41 0.53 118.68 131.78 1rja s LEU 63 Ca 0.00 1.10 0.02 0.00 0.01 0.00 0.00 54.13 55.27 1rja s LEU 63 Cb 0.00 -3.45 0.17 0.00 0.01 0.00 0.00 46.19 42.92 1rja s LEU 63 CO 0.00 0.04 0.49 -1.38 1.01 0.00 0.00 176.35 176.50 1rja s HIS 64 N -1.58 -1.33 0.39 0.29 -3.43 0.36 0.77 115.29 110.75 1rja s HIS 64 Ca 0.42 0.84 0.31 0.00 -0.80 0.00 0.00 55.06 55.82 1rja s HIS 64 Cb -0.14 0.12 1.57 0.00 -1.43 0.00 0.00 32.58 32.70 1rja s HIS 64 CO 0.20 -0.96 2.09 -0.07 -2.00 0.00 0.00 174.74 174.00 1rja h LEU 65 N 8.09 0.00 0.00 5.38 4.07 -1.73 -2.99 115.31 128.14 1rja h LEU 65 Ca -0.10 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.63 1rja h LEU 65 Cb 1.15 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.84 1rja h LEU 65 CO 0.23 0.08 -0.09 0.59 -1.08 0.00 0.00 178.44 178.17 1rja n ASN 66 N -3.45 -1.32 0.00 -0.43 4.13 -1.26 -4.66 115.26 108.27 1rja n ASN 66 Ca -0.01 -2.67 0.16 0.00 1.68 0.00 0.00 54.58 53.73 1rja n ASN 66 Cb 0.23 2.42 0.92 0.00 -1.54 0.00 0.00 39.78 41.81 1rja n ASN 66 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1rja n GLU 67 N -0.52 0.96 -0.00 3.52 4.71 -1.26 -3.02 120.64 125.03 1rja n GLU 67 Ca -0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.20 1rja n GLU 67 Cb 0.53 -1.50 0.04 0.00 -1.01 0.00 0.00 31.44 29.50 1rja n GLU 67 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1rja n ALA 68 N -1.01 2.48 -2.89 0.62 0.00 -1.26 -4.98 120.51 113.47 1rja n ALA 68 Ca 0.23 -0.58 -0.19 0.00 0.00 0.00 0.00 53.44 52.90 1rja n ALA 68 Cb 0.11 -0.33 -0.15 0.00 0.00 0.00 0.00 19.45 19.08 1rja n ALA 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1rja s VAL 69 N -0.82 0.67 -0.22 0.00 -7.23 -1.17 -5.02 120.40 106.62 1rja s VAL 69 Ca 0.11 -0.33 -0.12 0.00 -1.81 0.00 0.00 61.98 59.84 1rja s VAL 69 Cb 0.08 -0.58 0.07 0.00 0.56 0.00 0.00 36.38 36.51 1rja s VAL 69 CO 0.12 0.20 0.54 -0.44 -0.31 0.00 0.00 175.10 175.22 1rja s SER 70 N 0.04 -0.71 -0.23 4.85 0.01 -1.26 -4.17 113.70 112.22 1rja s SER 70 Ca -0.00 1.18 -0.09 0.00 1.31 0.00 0.00 55.95 58.34 1rja s SER 70 Cb -0.06 1.05 0.09 0.00 0.21 0.00 0.00 66.02 67.32 1rja s SER 70 CO -0.00 -0.21 0.51 0.12 0.41 0.00 0.00 173.24 174.07 1rja s PHE 71 N 1.51 -0.94 0.02 2.43 2.19 0.23 -4.94 117.98 118.47 1rja s PHE 71 Ca -0.10 1.78 0.00 0.00 0.33 0.00 0.00 56.93 58.94 1rja s PHE 71 Cb -0.07 0.48 0.05 0.00 -1.31 0.00 0.00 43.02 42.16 1rja s PHE 71 CO -0.16 -0.51 0.09 1.47 1.83 0.00 0.00 175.22 177.94 1rja n LEU 72 N 5.06 -0.00 0.00 6.12 -0.00 -1.26 0.15 117.00 127.07 1rja n LEU 72 Ca -0.14 0.10 -0.04 0.00 -0.00 0.00 0.00 56.01 55.93 1rja n LEU 72 Cb 0.52 -0.04 -0.01 0.00 -0.00 0.00 0.00 43.42 43.89 1rja n LEU 72 CO 0.00 -0.10 0.02 -0.24 -0.00 0.00 0.00 177.39 177.07 1rja n SER 73 N -3.69 -0.30 0.22 1.45 2.88 -1.26 0.23 113.62 113.15 1rja n SER 73 Ca 0.01 -1.51 -0.09 0.00 -1.33 0.00 0.00 58.87 55.95 1rja n SER 73 Cb 0.05 0.59 -0.04 0.00 -0.75 0.00 0.00 64.21 64.05 1rja n SER 73 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1rja h LEU 74 N 0.00 -0.51 -1.37 2.46 3.38 -1.96 0.78 115.31 118.09 1rja h LEU 74 Ca -0.07 0.02 0.42 0.00 0.09 0.00 0.00 57.88 58.34 1rja h LEU 74 Cb 0.31 0.13 -0.13 0.00 0.09 0.00 0.00 40.66 41.06 1rja h LEU 74 CO 0.09 -0.18 0.82 1.55 0.09 0.00 0.00 178.44 180.81 1rja h PRO 75 N -0.99 0.10 0.05 1.13 0.13 -1.98 1.61 132.00 132.04 1rja h PRO 75 Ca -0.06 -0.01 -0.30 0.00 -0.87 0.00 0.00 66.00 64.76 1rja h PRO 75 Cb 0.46 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.54 1rja h PRO 75 CO 0.10 0.06 -1.67 0.93 -0.23 0.00 0.00 178.00 177.20 1rja h GLU 76 N 0.10 0.11 -0.59 0.86 4.39 -1.91 -2.88 114.58 114.66 1rja h GLU 76 Ca 0.81 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 60.28 1rja h GLU 76 Cb 2.48 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 31.18 1rja h GLU 76 CO -0.44 0.82 0.20 1.25 -1.16 0.00 0.00 179.01 179.68 1rja h LEU 77 N 0.03 0.84 -0.54 1.33 7.12 0.87 -2.51 115.31 122.45 1rja h LEU 77 Ca -0.28 -0.19 -0.16 0.00 0.13 0.00 0.00 57.88 57.38 1rja h LEU 77 Cb 2.00 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 41.90 1rja h LEU 77 CO 0.10 0.81 -0.60 0.58 -0.13 0.00 0.00 178.44 179.20 1rja h VAL 78 N 0.83 1.35 -0.75 1.05 2.07 0.79 -2.86 116.25 118.72 1rja h VAL 78 Ca 0.19 -1.91 0.13 0.00 0.82 0.00 0.00 66.70 65.93 1rja h VAL 78 Cb 0.26 1.90 -0.09 0.00 -1.52 0.00 0.00 31.29 31.84 1rja h VAL 78 CO -0.01 0.58 0.34 -1.13 0.02 0.00 0.00 177.57 177.37 1rja h ASN 79 N 0.32 0.38 0.14 0.57 -1.24 -1.23 0.42 115.58 114.95 1rja h ASN 79 Ca -0.00 0.09 -0.12 0.00 0.71 0.00 0.00 56.30 56.98 1rja h ASN 79 Cb 1.13 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 40.21 1rja h ASN 79 CO 0.10 0.18 -0.41 0.22 -1.29 0.00 0.00 177.43 176.23 1rja h TYR 80 N 0.53 0.41 -0.41 0.67 3.20 -1.38 -2.87 116.97 117.11 1rja h TYR 80 Ca 0.40 -0.12 -0.08 0.00 3.14 0.00 0.00 58.73 62.08 1rja h TYR 80 Cb 0.54 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1rja h TYR 80 CO -0.13 0.71 -0.05 0.45 -1.64 0.00 0.00 178.16 177.50 1rja h HIS 81 N 0.29 0.84 -0.80 -3.82 3.86 -0.44 0.15 115.15 115.24 1rja h HIS 81 Ca 0.03 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 59.07 1rja h HIS 81 Cb 0.85 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 29.07 1rja h HIS 81 CO 0.02 0.86 0.49 -0.09 0.86 0.00 0.00 177.93 180.07 1rja h ARG 82 N 0.58 1.07 0.13 2.45 2.43 -0.21 -3.17 114.38 117.67 1rja h ARG 82 Ca 0.11 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1rja h ARG 82 Cb 0.56 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1rja h ARG 82 CO 0.03 0.75 -0.06 0.00 -1.51 0.00 0.00 179.97 179.17 1rja h ALA 83 N 1.44 -0.36 -2.92 2.80 0.00 -1.36 -3.40 119.26 115.45 1rja h ALA 83 Ca 0.29 -0.04 -0.63 0.00 0.00 0.00 0.00 54.91 54.53 1rja h ALA 83 Cb -0.06 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.71 1rja h ALA 83 CO -0.06 -0.35 -0.42 -0.65 0.00 0.00 0.00 179.25 177.77 1rja s GLN 84 N -2.16 3.88 -0.53 0.00 -0.21 0.53 -4.95 119.66 116.21 1rja s GLN 84 Ca -0.03 -0.05 -0.02 0.00 0.02 0.00 0.00 55.36 55.29 1rja s GLN 84 Cb 0.00 -3.31 0.35 0.00 1.00 0.00 0.00 33.01 31.05 1rja s GLN 84 CO 0.08 0.52 2.04 0.43 -2.12 0.00 0.00 175.29 176.24 1rja n SER 85 N 2.74 7.19 0.00 5.90 7.64 -1.25 -3.97 113.62 131.87 1rja n SER 85 Ca -0.17 -3.49 0.00 0.00 1.01 0.00 0.00 58.87 56.23 1rja n SER 85 Cb 0.53 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 1rja n SER 85 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1rja n LEU 86 N -0.37 0.00 -0.95 -3.43 0.00 -1.26 -3.79 117.00 107.19 1rja n LEU 86 Ca 0.49 0.94 0.00 0.00 0.00 0.00 0.00 56.01 57.44 1rja n LEU 86 Cb 0.62 -0.44 0.20 0.00 0.00 0.00 0.00 43.42 43.81 1rja n LEU 86 CO 0.62 -0.44 0.63 -0.24 0.00 0.00 0.00 177.39 177.96 1rja n SER 87 N -2.21 2.50 0.00 1.96 2.88 -1.26 -4.85 113.62 112.63 1rja n SER 87 Ca 0.00 -3.66 0.00 0.00 -1.33 0.00 0.00 58.87 53.88 1rja n SER 87 Cb 0.00 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 1rja n SER 87 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1rja n HIS 88 N -1.07 0.00 0.00 0.66 -0.00 -1.25 -4.95 115.22 108.61 1rja n HIS 88 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.00 1rja n HIS 88 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.92 1rja n HIS 88 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1rja n GLY 89 N 3.91 1.29 1.12 1.57 0.00 -1.26 -4.98 105.19 106.84 1rja n GLY 89 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 45.95 1rja n GLY 89 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1rja n LEU 90 N 0.00 0.34 -2.53 0.99 7.94 -1.26 -4.96 117.00 117.52 1rja n LEU 90 Ca 0.00 -1.71 -0.03 0.00 -1.11 0.00 0.00 56.01 53.16 1rja n LEU 90 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 1rja n LEU 90 CO 0.00 0.67 -0.52 0.54 -1.11 0.00 0.00 177.39 176.97 1rja n ARG 91 N 0.26 -4.28 -1.36 1.96 1.74 -1.26 -4.63 116.66 109.10 1rja n ARG 91 Ca -0.02 3.19 -0.52 0.00 -0.77 0.00 0.00 57.85 59.73 1rja n ARG 91 Cb 0.92 -4.33 -0.11 0.00 -1.02 0.00 0.00 32.46 27.92 1rja n ARG 91 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rja n LEU 92 N 1.87 0.95 0.00 0.55 4.32 -1.24 -4.72 117.00 118.73 1rja n LEU 92 Ca -0.23 0.45 0.00 0.00 -0.02 0.00 0.00 56.01 56.22 1rja n LEU 92 Cb 0.35 -1.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.15 1rja n LEU 92 CO 0.21 -0.78 0.00 0.00 -1.22 0.00 0.00 177.39 175.60 1rja n ALA 93 N 9.04 0.00 -2.03 -1.18 0.00 -1.09 -4.22 120.51 121.03 1rja n ALA 93 Ca 0.55 -0.01 -0.20 0.00 0.00 0.00 0.00 53.44 53.77 1rja n ALA 93 Cb 0.05 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.58 1rja n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rja s ALA 94 N -4.90 4.62 0.45 0.00 0.00 -1.26 -4.69 121.76 115.99 1rja s ALA 94 Ca 0.00 -2.18 -0.02 0.00 0.00 0.00 0.00 51.96 49.76 1rja s ALA 94 Cb 0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 23.12 21.60 1rja s ALA 94 CO 0.00 -1.02 0.70 -1.25 0.00 0.00 0.00 175.76 174.19 1rja s PRO 95 N -4.77 3.31 0.37 0.00 0.04 -1.02 -1.26 135.00 131.67 1rja s PRO 95 Ca 0.63 -0.18 -0.24 0.00 0.04 0.00 0.00 61.00 61.25 1rja s PRO 95 Cb -0.05 -2.50 -0.10 0.00 0.04 0.00 0.00 34.50 31.90 1rja s PRO 95 CO 0.40 -0.18 0.99 0.00 0.04 0.00 0.00 177.00 178.25 1rja n ARG 97 N 0.12 0.00 0.06 0.00 1.74 -1.26 -4.96 116.66 112.36 1rja n ARG 97 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1rja n ARG 97 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 1rja n ARG 97 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1rja n LYS 98 N 0.00 0.00 -1.33 5.56 5.02 -1.26 -4.52 118.16 121.62 1rja n LYS 98 Ca 0.00 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.45 1rja n LYS 98 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 1rja n LYS 98 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1rja n HIS 99 N -2.72 -3.57 -1.04 2.13 -0.00 -1.26 -4.59 115.22 104.16 1rja n HIS 99 Ca 0.00 1.97 0.00 0.00 0.46 0.00 0.00 57.72 60.15 1rja n HIS 99 Cb 0.00 -3.25 0.00 0.00 -0.12 0.00 0.00 29.99 26.62 1rja n HIS 99 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19