#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djr n SER 2 N 0.00 6.68 -0.26 1.61 7.64 -1.26 -4.63 113.62 123.40 2djr n SER 2 Ca 0.00 -3.22 0.07 0.00 1.01 0.00 0.00 58.87 56.73 2djr n SER 2 Cb 0.00 -1.08 0.20 0.00 -1.01 0.00 0.00 64.21 62.32 2djr n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2djr h SER 3 N 1.89 0.18 -0.12 6.43 0.02 -2.06 -3.44 113.55 116.44 2djr h SER 3 Ca 0.36 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 2djr h SER 3 Cb 0.84 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2djr h SER 3 CO 0.92 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 177.25 2djr n GLY 4 N -1.34 5.49 2.21 -3.77 0.00 -1.26 -5.05 105.19 101.46 2djr n GLY 4 Ca 0.15 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 2djr n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2djr n SER 5 N 0.00 5.93 -3.02 1.61 2.88 -1.26 -4.89 113.62 114.87 2djr n SER 5 Ca 0.00 -3.76 -0.19 0.00 -1.33 0.00 0.00 58.87 53.59 2djr n SER 5 Cb 0.00 -0.59 0.07 0.00 -0.75 0.00 0.00 64.21 62.93 2djr n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2djr n SER 6 N -0.75 -5.20 -2.61 -3.46 2.88 -1.26 -4.93 113.62 98.29 2djr n SER 6 Ca 0.50 -0.45 -0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2djr n SER 6 Cb 0.80 -4.21 0.05 0.00 -0.75 0.00 0.00 64.21 60.09 2djr n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djr n GLY 7 N -1.67 1.81 1.75 0.46 0.00 -1.26 -4.90 105.19 101.37 2djr n GLY 7 Ca -0.02 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 2djr n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2djr n SER 8 N -0.44 5.61 -0.06 1.61 3.41 -1.26 -4.25 113.62 118.24 2djr n SER 8 Ca 0.08 -2.87 -0.19 0.00 -0.26 0.00 0.00 58.87 55.63 2djr n SER 8 Cb 0.86 -0.97 -0.13 0.00 -0.26 0.00 0.00 64.21 63.70 2djr n SER 8 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2djr h GLU 9 N 1.17 0.06 -0.86 4.33 3.07 -2.02 -3.33 114.58 117.00 2djr h GLU 9 Ca 0.24 -0.11 0.25 0.00 -0.50 0.00 0.00 59.36 59.24 2djr h GLU 9 Cb 1.10 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 29.02 2djr h GLU 9 CO 0.58 1.05 0.78 0.00 -1.40 0.00 0.00 179.01 180.02 2djr h ALA 10 N -0.19 2.70 -0.77 3.43 0.00 -1.99 0.27 119.26 122.71 2djr h ALA 10 Ca -0.20 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 54.87 2djr h ALA 10 Cb 1.29 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 2djr h ALA 10 CO -0.06 -1.22 0.53 -1.49 0.00 0.00 0.00 179.25 177.01 2djr h TRP 11 N 0.00 0.26 0.00 0.00 4.06 -1.88 0.29 115.95 118.68 2djr h TRP 11 Ca 0.41 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.36 2djr h TRP 11 Cb 1.96 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 30.04 2djr h TRP 11 CO 0.00 0.08 0.13 0.93 -3.56 0.00 0.00 178.44 176.02 2djr h GLU 12 N 0.21 0.00 -0.36 0.49 5.08 -0.69 0.41 114.58 119.72 2djr h GLU 12 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 2djr h GLU 12 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2djr h GLU 12 CO -0.08 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.59 2djr n TYR 13 N -2.50 1.15 -3.69 4.33 4.02 0.10 -4.83 117.16 115.75 2djr n TYR 13 Ca -0.02 -0.79 -0.12 0.00 -0.01 0.00 0.00 57.90 56.96 2djr n TYR 13 Cb 0.17 -0.32 -0.06 0.00 -0.02 0.00 0.00 39.34 39.10 2djr n TYR 13 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2djr s PHE 14 N -2.56 -0.21 -0.08 -0.72 0.08 0.14 -0.07 117.98 114.57 2djr s PHE 14 Ca 0.43 0.10 -0.03 0.00 0.12 0.00 0.00 56.93 57.55 2djr s PHE 14 Cb 0.33 0.19 0.04 0.00 -0.57 0.00 0.00 43.02 43.01 2djr s PHE 14 CO 0.12 -0.57 0.17 -3.38 -0.10 0.00 0.00 175.22 171.46 2djr s HIS 15 N -2.69 -0.20 0.35 0.36 -3.43 0.23 -4.81 115.29 105.09 2djr s HIS 15 Ca -0.04 0.57 -0.28 0.00 -0.80 0.00 0.00 55.06 54.51 2djr s HIS 15 Cb -0.00 -0.08 -0.10 0.00 -1.43 0.00 0.00 32.58 30.97 2djr s HIS 15 CO -0.04 -0.20 1.23 -0.51 -2.00 0.00 0.00 174.74 173.23 2djr s LEU 16 N 1.35 4.37 0.11 5.38 1.43 -1.26 -0.02 118.68 130.04 2djr s LEU 16 Ca -0.08 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 2djr s LEU 16 Cb -0.11 -3.77 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 2djr s LEU 16 CO -0.06 -0.53 0.26 0.00 0.23 0.00 0.00 176.35 176.25 2djr s ALA 17 N -1.22 3.96 0.35 4.21 0.00 -1.24 -4.90 121.76 122.91 2djr s ALA 17 Ca 0.51 -0.87 -0.27 0.00 0.00 0.00 0.00 51.96 51.32 2djr s ALA 17 Cb -0.36 -1.86 -0.09 0.00 0.00 0.00 0.00 23.12 20.81 2djr s ALA 17 CO 0.47 0.69 1.21 -1.25 0.00 0.00 0.00 175.76 176.88 2djr s PRO 18 N -2.82 4.28 -0.82 0.00 0.04 -1.26 -4.30 135.00 130.13 2djr s PRO 18 Ca 0.36 1.99 -0.26 0.00 0.04 0.00 0.00 61.00 63.13 2djr s PRO 18 Cb -0.12 -2.94 0.03 0.00 0.04 0.00 0.00 34.50 31.51 2djr s PRO 18 CO 0.28 -0.17 1.42 0.00 0.04 0.00 0.00 177.00 178.58 2djr s ALA 19 N -1.25 2.62 -0.17 8.56 0.00 -1.26 -4.73 121.76 125.53 2djr s ALA 19 Ca 0.51 -1.57 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 2djr s ALA 19 Cb -0.35 -4.36 -0.09 0.00 0.00 0.00 0.00 23.12 18.32 2djr s ALA 19 CO 0.45 -3.53 -0.18 0.54 0.00 0.00 0.00 175.76 173.04 2djr n ARG 20 N 9.19 0.39 -0.10 0.00 1.74 -1.26 -4.66 116.66 121.96 2djr n ARG 20 Ca 0.16 0.12 -0.07 0.00 -0.77 0.00 0.00 57.85 57.29 2djr n ARG 20 Cb 0.50 -1.25 -0.00 0.00 -1.02 0.00 0.00 32.46 30.69 2djr n ARG 20 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2djr h ALA 21 N -0.26 -0.06 0.00 7.54 0.00 -2.01 -3.47 119.26 121.00 2djr h ALA 21 Ca -0.40 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2djr h ALA 21 Cb 1.50 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.86 2djr h ALA 21 CO -0.14 -0.65 0.00 0.41 0.00 0.00 0.00 179.25 178.86 2djr n GLY 22 N -1.40 -1.60 3.46 0.00 0.00 -1.26 -5.14 105.19 99.25 2djr n GLY 22 Ca 0.01 0.57 -0.41 0.00 0.00 0.00 0.00 46.02 46.19 2djr n GLY 22 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2djr n HIS 23 N 0.00 -0.47 -0.95 1.61 8.25 -1.26 -4.86 115.22 117.53 2djr n HIS 23 Ca 0.00 0.57 -0.34 0.00 -0.26 0.00 0.00 57.72 57.69 2djr n HIS 23 Cb 0.00 -1.99 0.09 0.00 1.12 0.00 0.00 29.99 29.21 2djr n HIS 23 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2djr n HIS 24 N -0.97 -2.10 -0.39 4.41 -0.00 -1.26 -4.72 115.22 110.18 2djr n HIS 24 Ca 0.11 0.21 0.00 0.00 -0.00 0.00 0.00 57.72 58.04 2djr n HIS 24 Cb 0.41 -1.74 0.00 0.00 -0.00 0.00 0.00 29.99 28.66 2djr n HIS 24 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2djr n PRO 25 N -0.56 -0.64 -3.62 -1.40 -0.04 -1.26 -4.47 135.00 123.01 2djr n PRO 25 Ca 0.06 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.28 2djr n PRO 25 Cb 0.53 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.06 2djr n PRO 25 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2djr n ASN 26 N -2.42 -5.61 -0.09 3.54 5.03 -1.26 -4.91 115.26 109.54 2djr n ASN 26 Ca 0.00 -0.58 -0.16 0.00 0.87 0.00 0.00 54.58 54.70 2djr n ASN 26 Cb 0.00 -4.89 -0.08 0.00 -1.02 0.00 0.00 39.78 33.80 2djr n ASN 26 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2djr n GLN 27 N -4.86 0.43 -4.20 3.52 10.64 -1.26 -5.01 117.38 116.64 2djr n GLN 27 Ca -0.03 0.14 -0.20 0.00 -1.83 0.00 0.00 57.00 55.08 2djr n GLN 27 Cb 0.57 -1.28 -0.12 0.00 -0.86 0.00 0.00 30.24 28.55 2djr n GLN 27 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2djr s TYR 28 N -2.36 1.38 -0.16 2.61 1.51 -1.26 -4.11 117.35 114.97 2djr s TYR 28 Ca -0.25 -0.45 -0.01 0.00 -1.01 0.00 0.00 57.07 55.34 2djr s TYR 28 Cb 0.08 -0.77 -0.01 0.00 -0.11 0.00 0.00 41.96 41.15 2djr s TYR 28 CO 0.38 0.10 -0.10 0.00 -1.11 0.00 0.00 175.55 174.82 2djr s ALA 29 N -1.25 2.69 -0.40 3.71 0.00 -1.11 -3.69 121.76 121.71 2djr s ALA 29 Ca 0.00 -0.99 -0.23 0.00 0.00 0.00 0.00 51.96 50.74 2djr s ALA 29 Cb -0.10 -1.38 0.02 0.00 0.00 0.00 0.00 23.12 21.65 2djr s ALA 29 CO 0.03 0.00 0.80 0.99 0.00 0.00 0.00 175.76 177.58 2djr s THR 30 N 0.75 4.68 0.14 0.00 2.01 0.97 -0.07 115.64 124.11 2djr s THR 30 Ca -0.04 0.70 -0.31 0.00 0.31 0.00 0.00 61.69 62.34 2djr s THR 30 Cb -0.15 -4.27 -0.10 0.00 0.01 0.00 0.00 72.50 67.99 2djr s THR 30 CO 0.02 -0.58 1.61 0.00 -0.69 0.00 0.00 174.62 174.98 2djr n ARG 32 N 4.48 0.38 -0.07 0.00 1.74 0.90 -1.27 116.66 122.83 2djr n ARG 32 Ca 0.15 -0.13 -0.08 0.00 -0.77 0.00 0.00 57.85 57.01 2djr n ARG 32 Cb 0.39 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 2djr n ARG 32 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2djr h LEU 33 N 0.33 0.00 0.00 0.55 3.38 -1.90 -3.44 115.31 114.23 2djr h LEU 33 Ca 0.00 -0.32 -0.30 0.00 0.09 0.00 0.00 57.88 57.35 2djr h LEU 33 Cb 0.42 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 2djr h LEU 33 CO 0.00 0.86 -2.09 0.00 0.09 0.00 0.00 178.44 177.30 2djr n GLY 35 N 2.30 1.82 3.61 0.00 0.00 -0.40 -5.04 105.19 107.48 2djr n GLY 35 Ca -0.36 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 2djr n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2djr s ARG 36 N -0.38 2.60 -0.07 1.61 0.52 -1.25 -4.76 118.95 117.22 2djr s ARG 36 Ca 0.00 -0.69 -0.27 0.00 -0.52 0.00 0.00 55.73 54.24 2djr s ARG 36 Cb 0.00 -2.53 -0.02 0.00 0.52 0.00 0.00 34.95 32.91 2djr s ARG 36 CO 0.00 0.61 0.89 -0.65 0.02 0.00 0.00 175.30 176.17 2djr s GLN 37 N -1.38 4.45 -0.29 3.54 -0.21 -1.26 -1.05 119.66 123.46 2djr s GLN 37 Ca 0.17 1.21 0.01 0.00 0.02 0.00 0.00 55.36 56.77 2djr s GLN 37 Cb -0.11 -3.50 0.09 0.00 1.00 0.00 0.00 33.01 30.49 2djr s GLN 37 CO 0.07 -0.13 0.03 0.08 -2.12 0.00 0.00 175.29 173.22 2djr s VAL 38 N 1.40 1.54 0.34 1.09 1.01 0.89 -4.87 120.40 121.81 2djr s VAL 38 Ca 0.45 -1.63 -0.27 0.00 0.00 0.00 0.00 61.98 60.53 2djr s VAL 38 Cb -0.19 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.07 2djr s VAL 38 CO 0.20 -0.45 1.10 -0.94 0.00 0.00 0.00 175.10 175.02 2djr s SER 39 N 1.32 6.95 0.10 3.32 1.04 -1.26 -2.75 113.70 122.42 2djr s SER 39 Ca 0.05 2.22 -0.33 0.00 0.48 0.00 0.00 55.95 58.37 2djr s SER 39 Cb -0.18 -2.61 -0.14 0.00 0.10 0.00 0.00 66.02 63.18 2djr s SER 39 CO -0.13 -0.36 1.52 0.03 0.98 0.00 0.00 173.24 175.28 2djr h ARG 40 N 3.16 -0.71 0.00 4.02 2.47 -1.96 -3.49 114.38 117.88 2djr h ARG 40 Ca -0.48 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.29 2djr h ARG 40 Cb 1.22 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.70 2djr h ARG 40 CO 0.65 -0.47 0.00 0.41 0.56 0.00 0.00 179.97 181.11 2djr n GLY 41 N -1.46 0.87 0.14 0.04 0.00 -1.26 -4.53 105.19 98.98 2djr n GLY 41 Ca -0.08 -2.20 -0.13 0.00 0.00 0.00 0.00 46.02 43.60 2djr n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djr h PRO 42 N 8.10 0.37 -1.00 1.61 0.13 -2.04 -3.39 132.00 135.79 2djr h PRO 42 Ca 0.00 -0.19 -0.36 0.00 -0.87 0.00 0.00 66.00 64.58 2djr h PRO 42 Cb 0.00 0.01 -0.35 0.00 0.13 0.00 0.00 31.00 30.79 2djr h PRO 42 CO 0.00 0.75 -1.03 0.41 -0.23 0.00 0.00 178.00 177.90 2djr n GLY 43 N 0.19 1.86 3.65 1.56 0.00 -1.26 -5.12 105.19 106.07 2djr n GLY 43 Ca -0.06 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 2djr n GLY 43 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2djr n VAL 44 N -0.05 2.60 -2.46 1.61 3.14 -1.26 -4.91 118.33 117.00 2djr n VAL 44 Ca 0.10 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.56 2djr n VAL 44 Cb 0.79 -1.33 -0.02 0.00 -1.06 0.00 0.00 33.84 32.21 2djr n VAL 44 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2djr s ASN 45 N -0.69 7.01 0.17 6.55 0.02 -1.26 -4.93 114.94 121.81 2djr s ASN 45 Ca 0.63 1.74 -0.18 0.00 -1.02 0.00 0.00 52.86 54.03 2djr s ASN 45 Cb -0.53 -2.55 0.10 0.00 0.02 0.00 0.00 41.25 38.30 2djr s ASN 45 CO 0.57 -0.66 1.64 0.58 0.02 0.00 0.00 177.10 179.25 2djr h VAL 46 N 5.23 0.47 0.00 1.60 2.07 -2.00 -3.08 116.25 120.54 2djr h VAL 46 Ca -0.30 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2djr h VAL 46 Cb 1.13 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2djr h VAL 46 CO 0.92 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.12 2djr n GLY 47 N -1.36 -3.10 3.49 2.17 0.00 -1.26 -3.49 105.19 101.63 2djr n GLY 47 Ca 0.02 0.48 -0.43 0.00 0.00 0.00 0.00 46.02 46.09 2djr n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2djr s THR 48 N -2.47 4.60 -0.10 2.61 2.01 -1.16 -4.89 115.64 116.23 2djr s THR 48 Ca 0.00 -1.73 -0.40 0.00 0.31 0.00 0.00 61.69 59.88 2djr s THR 48 Cb 0.00 -4.91 -0.18 0.00 0.01 0.00 0.00 72.50 67.43 2djr s THR 48 CO 0.00 -1.67 1.41 0.41 -0.69 0.00 0.00 174.62 174.08 2djr n THR 49 N 5.62 0.08 -0.36 -0.82 -1.04 -1.23 -4.55 114.28 111.98 2djr n THR 49 Ca 0.31 -0.01 0.31 0.00 -2.04 0.00 0.00 64.05 62.62 2djr n THR 49 Cb 0.48 -0.69 0.52 0.00 -1.82 0.00 0.00 70.33 68.82 2djr n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2djr n ALA 50 N 3.18 1.04 0.09 2.41 0.00 -1.26 0.11 120.51 126.08 2djr n ALA 50 Ca 0.22 0.68 -0.12 0.00 0.00 0.00 0.00 53.44 54.23 2djr n ALA 50 Cb 0.12 -0.82 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 2djr n ALA 50 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2djr h LEU 51 N 0.00 -0.62 -0.58 0.00 3.38 -1.91 -2.73 115.31 112.85 2djr h LEU 51 Ca 0.68 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.84 2djr h LEU 51 Cb 2.18 0.24 -0.11 0.00 0.09 0.00 0.00 40.66 43.06 2djr h LEU 51 CO -0.38 -0.30 -0.31 -0.50 0.09 0.00 0.00 178.44 177.05 2djr h TRP 52 N -0.38 -0.83 -1.00 1.13 4.06 0.48 0.12 115.95 119.53 2djr h TRP 52 Ca 0.04 0.07 0.33 0.00 2.06 0.00 0.00 58.89 61.39 2djr h TRP 52 Cb 0.43 0.45 -0.18 0.00 -1.00 0.00 0.00 29.16 28.85 2djr h TRP 52 CO -0.23 -0.37 0.23 0.87 -3.56 0.00 0.00 178.44 175.38 2djr h LYS 53 N -0.15 0.00 -0.09 0.49 1.57 -1.48 0.85 116.57 117.77 2djr h LYS 53 Ca 0.24 -0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.80 2djr h LYS 53 Cb 0.54 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.86 2djr h LYS 53 CO -0.66 0.00 -0.79 1.25 -0.57 0.00 0.00 179.45 178.68 2djr h HIS 54 N 0.00 0.96 -0.34 -1.35 2.76 -0.80 -1.22 115.15 115.16 2djr h HIS 54 Ca 0.70 -0.46 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 2djr h HIS 54 Cb 1.64 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 30.45 2djr h HIS 54 CO -0.31 1.29 0.17 -0.07 -1.30 0.00 0.00 177.93 177.71 2djr h LEU 55 N 0.36 0.41 -0.17 0.26 3.38 0.16 -0.96 115.31 118.76 2djr h LEU 55 Ca -0.07 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2djr h LEU 55 Cb 1.44 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2djr h LEU 55 CO 0.16 0.35 -0.53 0.29 0.09 0.00 0.00 178.44 178.80 2djr n LYS 56 N -4.43 0.26 0.08 1.13 5.02 0.12 -0.16 118.16 120.17 2djr n LYS 56 Ca 0.02 -0.17 -0.23 0.00 -2.02 0.00 0.00 58.31 55.91 2djr n LYS 56 Cb 0.11 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.47 2djr n LYS 56 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2djr h SER 57 N 0.42 0.62 0.00 4.39 0.87 0.08 -3.36 113.55 116.57 2djr h SER 57 Ca 0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.64 2djr h SER 57 Cb 0.52 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2djr h SER 57 CO 0.00 1.66 -0.74 1.15 -0.53 0.00 0.00 176.83 178.37 2djr n MET 58 N -3.80 0.75 -0.54 2.24 0.00 -0.79 -4.72 117.12 110.26 2djr n MET 58 Ca -0.20 0.00 -0.03 0.00 0.00 0.00 0.00 57.70 57.46 2djr n MET 58 Cb 1.01 -0.87 0.16 0.00 0.00 0.00 0.00 33.22 33.52 2djr n MET 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 2djr n HIS 59 N -2.08 1.31 -0.16 3.17 8.25 -0.34 -4.39 115.22 120.98 2djr n HIS 59 Ca 0.00 -0.73 0.15 0.00 -0.26 0.00 0.00 57.72 56.88 2djr n HIS 59 Cb 0.37 -0.44 0.49 0.00 1.12 0.00 0.00 29.99 31.53 2djr n HIS 59 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2djr h ARG 60 N 1.43 0.42 0.03 -0.41 9.65 -0.71 -0.81 114.38 123.98 2djr h ARG 60 Ca 0.14 -0.03 -0.25 0.00 -1.10 0.00 0.00 59.98 58.74 2djr h ARG 60 Cb 1.58 -0.10 0.02 0.00 -1.39 0.00 0.00 29.97 30.08 2djr h ARG 60 CO 0.39 0.28 -1.00 0.93 2.80 0.00 0.00 179.97 183.37 2djr h GLU 61 N 0.43 0.63 -0.79 0.20 3.07 -1.84 -3.10 114.58 113.19 2djr h GLU 61 Ca 0.36 -0.72 0.01 0.00 -0.50 0.00 0.00 59.36 58.51 2djr h GLU 61 Cb 0.79 0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 28.87 2djr h GLU 61 CO -0.12 1.30 0.52 1.49 -1.40 0.00 0.00 179.01 180.80 2djr h GLU 62 N 0.27 1.04 0.90 2.33 4.57 -1.55 -2.77 114.58 119.38 2djr h GLU 62 Ca -0.13 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 57.94 2djr h GLU 62 Cb 1.67 -0.23 0.01 0.00 -0.16 0.00 0.00 28.75 30.04 2djr h GLU 62 CO 0.20 0.70 -0.44 -0.07 -1.18 0.00 0.00 179.01 178.21 2djr h LEU 63 N 1.07 -1.04 -0.95 1.64 3.38 -1.27 -2.79 115.31 115.36 2djr h LEU 63 Ca 0.29 0.04 0.29 0.00 0.09 0.00 0.00 57.88 58.59 2djr h LEU 63 Cb -0.11 0.27 -0.16 0.00 0.09 0.00 0.00 40.66 40.75 2djr h LEU 63 CO -0.06 -0.74 0.32 -0.33 0.09 0.00 0.00 178.44 177.72 2djr h GLU 64 N -1.22 0.16 -0.37 1.13 5.08 -1.46 0.33 114.58 118.23 2djr h GLU 64 Ca -0.12 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2djr h GLU 64 Cb 0.93 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.09 2djr h GLU 64 CO 0.20 0.11 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.08 2djr h LYS 65 N 0.16 0.08 -1.40 2.33 1.63 -1.22 -0.63 116.57 117.53 2djr h LYS 65 Ca 0.65 -0.01 -0.16 0.00 -0.85 0.00 0.00 60.65 60.29 2djr h LYS 65 Cb 1.45 -0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 32.98 2djr h LYS 65 CO -0.71 0.06 0.20 0.45 -3.45 0.00 0.00 179.45 176.00 2djr n SER 66 N -5.20 4.68 0.00 4.20 2.88 0.11 -4.93 113.62 115.36 2djr n SER 66 Ca 0.02 -2.61 0.00 0.00 -1.33 0.00 0.00 58.87 54.95 2djr n SER 66 Cb 0.20 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 2djr n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djr n GLY 67 N 0.50 0.22 3.61 0.46 0.00 -0.25 -4.75 105.19 104.98 2djr n GLY 67 Ca 0.16 0.66 -0.29 0.00 0.00 0.00 0.00 46.02 46.54 2djr n GLY 67 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2djr n HIS 68 N 0.00 -0.88 0.07 1.61 8.25 -1.26 -4.37 115.22 118.64 2djr n HIS 68 Ca 0.00 0.47 -0.13 0.00 -0.26 0.00 0.00 57.72 57.80 2djr n HIS 68 Cb 0.00 -1.32 -0.08 0.00 1.12 0.00 0.00 29.99 29.71 2djr n HIS 68 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2djr h GLY 69 N -0.60 -0.18 -7.44 -1.41 0.00 -1.90 -3.34 103.07 88.19 2djr h GLY 69 Ca -0.41 0.07 -0.79 0.00 0.00 0.00 0.00 47.33 46.20 2djr h GLY 69 CO 0.62 -0.07 0.70 -1.06 0.00 0.00 0.00 176.54 176.73 2djr n GLN 70 N -5.03 3.68 -1.27 4.80 6.02 -1.26 -4.84 117.38 119.46 2djr n GLN 70 Ca -0.09 -4.36 -0.31 0.00 -0.01 0.00 0.00 57.00 52.24 2djr n GLN 70 Cb 0.20 -2.63 0.06 0.00 1.02 0.00 0.00 30.24 28.90 2djr n GLN 70 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2djr n SER 71 N 2.92 7.38 0.00 1.08 3.41 -1.26 -4.99 113.62 122.16 2djr n SER 71 Ca 0.27 -3.61 0.00 0.00 -0.26 0.00 0.00 58.87 55.27 2djr n SER 71 Cb 0.38 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 2djr n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2djr n GLY 72 N -0.54 1.44 3.72 5.00 0.00 -1.26 -4.91 105.19 108.63 2djr n GLY 72 Ca 0.54 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 2djr n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2djr s PRO 73 N -1.73 4.34 -0.08 1.61 0.04 -1.26 -5.02 135.00 132.89 2djr s PRO 73 Ca 0.00 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 2djr s PRO 73 Cb 0.00 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.31 2djr s PRO 73 CO 0.00 -0.40 -0.02 0.45 0.04 0.00 0.00 177.00 177.07 2djr s SER 74 N 1.05 1.71 -0.07 6.66 0.15 -1.26 -4.90 113.70 117.04 2djr s SER 74 Ca 0.63 -0.15 -0.02 0.00 0.70 0.00 0.00 55.95 57.11 2djr s SER 74 Cb -0.36 -0.55 -0.06 0.00 -1.71 0.00 0.00 66.02 63.33 2djr s SER 74 CO 0.31 -0.16 2.62 -0.24 1.20 0.00 0.00 173.24 176.97 2djr n SER 75 N 5.01 5.52 0.00 5.45 2.88 -1.26 -5.24 113.62 125.98 2djr n SER 75 Ca -0.10 -2.57 0.00 0.00 -1.33 0.00 0.00 58.87 54.87 2djr n SER 75 Cb 0.50 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 2djr n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42