#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 1.22 -4.55 1.61 2.88 -1.26 -5.08 113.62 108.44 2djr n SER 2 Ca 0.00 0.16 -0.29 0.00 -1.33 0.00 0.00 58.87 57.41 2djr n SER 2 Cb 0.00 -0.39 0.14 0.00 -0.75 0.00 0.00 64.21 63.22 2djr n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2djr s SER 3 N -5.98 3.47 -1.26 -3.46 1.04 -1.26 -4.90 113.70 101.36 2djr s SER 3 Ca -0.04 0.68 -0.08 0.00 0.48 0.00 0.00 55.95 56.99 2djr s SER 3 Cb 0.01 -1.04 -0.10 0.00 0.10 0.00 0.00 66.02 64.99 2djr s SER 3 CO 0.06 -2.55 2.77 0.61 0.98 0.00 0.00 173.24 175.11 2djr n GLY 4 N -2.89 3.78 2.99 7.32 0.00 -1.26 -4.76 105.19 110.37 2djr n GLY 4 Ca 0.10 -1.28 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 2djr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2djr s SER 5 N 2.49 4.54 -0.59 1.61 0.15 -1.26 -4.93 113.70 115.70 2djr s SER 5 Ca 0.61 -2.66 -0.07 0.00 0.70 0.00 0.00 55.95 54.52 2djr s SER 5 Cb 0.17 -1.65 -0.18 0.00 -1.71 0.00 0.00 66.02 62.65 2djr s SER 5 CO -0.05 -0.30 3.13 -0.24 1.20 0.00 0.00 173.24 176.99 2djr n SER 6 N 3.59 6.07 0.00 5.45 2.88 -1.26 -3.56 113.62 126.77 2djr n SER 6 Ca 0.05 -2.44 0.00 0.00 -1.33 0.00 0.00 58.87 55.14 2djr n SER 6 Cb 0.36 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 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 2.97 0.00 1.66 0.46 0.00 -1.26 -4.98 105.19 104.04 2djr n GLY 7 Ca 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.50 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 0.00 5.42 -0.03 1.61 3.41 -1.23 -3.97 113.62 118.82 2djr n SER 8 Ca 0.00 -2.49 -0.14 0.00 -0.26 0.00 0.00 58.87 55.98 2djr n SER 8 Cb 0.00 -1.19 -0.14 0.00 -0.26 0.00 0.00 64.21 62.62 2djr n SER 8 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2djr n GLU 9 N 1.63 0.69 0.08 4.33 2.13 -1.26 -4.09 120.64 124.15 2djr n GLU 9 Ca 0.13 0.23 0.20 0.00 0.66 0.00 0.00 57.16 58.37 2djr n GLU 9 Cb 0.60 -1.70 0.75 0.00 0.27 0.00 0.00 31.44 31.36 2djr n GLU 9 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2djr h ALA 10 N 0.58 2.18 -0.39 4.31 0.00 -1.98 0.30 119.26 124.25 2djr h ALA 10 Ca -0.40 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.61 2djr h ALA 10 Cb 2.04 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.85 2djr h ALA 10 CO 0.06 -0.60 0.39 -1.49 0.00 0.00 0.00 179.25 177.61 2djr h TRP 11 N 0.00 0.00 -0.00 0.00 4.06 -1.89 0.22 115.95 118.34 2djr h TRP 11 Ca 0.20 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.15 2djr h TRP 11 Cb 0.97 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.13 2djr h TRP 11 CO 0.00 0.00 0.01 0.93 -3.56 0.00 0.00 178.44 175.82 2djr h GLU 12 N 0.00 0.00 -0.38 0.49 5.08 -1.20 0.11 114.58 118.68 2djr h GLU 12 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2djr h GLU 12 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2djr h GLU 12 CO -0.00 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 2djr n TYR 13 N -3.09 1.29 -3.72 4.33 4.02 0.77 -4.84 117.16 115.91 2djr n TYR 13 Ca -0.03 -0.80 -0.11 0.00 -0.01 0.00 0.00 57.90 56.95 2djr n TYR 13 Cb 0.08 -0.36 -0.06 0.00 -0.02 0.00 0.00 39.34 38.98 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 -2.67 -0.11 -0.07 -0.72 0.40 0.37 0.40 117.98 115.58 2djr s PHE 14 Ca 0.46 -0.13 -0.03 0.00 -0.60 0.00 0.00 56.93 56.63 2djr s PHE 14 Cb 0.35 0.13 0.04 0.00 0.51 0.00 0.00 43.02 44.06 2djr s PHE 14 CO 0.12 -0.58 0.16 -3.38 0.70 0.00 0.00 175.22 172.24 2djr s HIS 15 N -3.18 -0.19 0.26 0.36 -3.43 0.27 -4.75 115.29 104.63 2djr s HIS 15 Ca -0.01 0.54 -0.29 0.00 -0.80 0.00 0.00 55.06 54.50 2djr s HIS 15 Cb 0.01 -0.09 -0.10 0.00 -1.43 0.00 0.00 32.58 30.98 2djr s HIS 15 CO -0.07 -0.19 1.28 -0.51 -2.00 0.00 0.00 174.74 173.25 2djr s LEU 16 N 1.33 4.44 0.10 5.38 1.43 -1.26 -0.03 118.68 130.07 2djr s LEU 16 Ca -0.08 2.50 -0.13 0.00 -1.03 0.00 0.00 54.13 55.40 2djr s LEU 16 Cb -0.12 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.41 2djr s LEU 16 CO -0.06 -0.48 0.48 0.00 0.23 0.00 0.00 176.35 176.52 2djr s ALA 17 N -0.57 3.64 0.79 4.21 0.00 -1.24 -4.91 121.76 123.69 2djr s ALA 17 Ca 0.52 -0.21 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 2djr s ALA 17 Cb -0.37 -2.43 0.07 0.00 0.00 0.00 0.00 23.12 20.39 2djr s ALA 17 CO 0.44 0.49 1.09 -1.25 0.00 0.00 0.00 175.76 176.54 2djr s PRO 18 N -1.76 2.10 -0.32 0.00 0.04 -1.26 -4.30 135.00 129.50 2djr s PRO 18 Ca 0.34 1.12 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 2djr s PRO 18 Cb -0.15 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 2djr s PRO 18 CO 0.18 -1.74 1.59 0.00 0.04 0.00 0.00 177.00 177.07 2djr s ALA 19 N -2.91 3.08 0.00 8.56 0.00 -1.26 -4.77 121.76 124.46 2djr s ALA 19 Ca 0.61 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2djr s ALA 19 Cb -0.17 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.02 2djr s ALA 19 CO 0.56 -2.28 0.00 2.89 0.00 0.00 0.00 175.76 176.93 2djr n ARG 20 N 8.00 1.93 -0.13 0.00 0.00 -1.26 -4.82 116.66 120.39 2djr n ARG 20 Ca 0.19 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.76 2djr n ARG 20 Cb 0.47 -0.82 -0.10 0.00 -0.00 0.00 0.00 32.46 32.00 2djr n ARG 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2djr n ALA 21 N -1.18 1.18 0.00 2.89 0.00 -1.26 -5.06 120.51 117.07 2djr n ALA 21 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.40 2djr n ALA 21 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.48 2djr n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2djr n GLY 22 N 1.38 1.59 3.58 0.00 0.00 -1.26 -5.13 105.19 105.34 2djr n GLY 22 Ca -0.51 -0.11 -0.46 0.00 0.00 0.00 0.00 46.02 44.94 2djr n GLY 22 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2djr n HIS 23 N 0.00 1.19 -0.92 1.61 -0.00 -1.26 -4.83 115.22 111.01 2djr n HIS 23 Ca 0.00 0.71 -0.31 0.00 -0.00 0.00 0.00 57.72 58.12 2djr n HIS 23 Cb 0.00 -2.25 0.02 0.00 -0.00 0.00 0.00 29.99 27.76 2djr n HIS 23 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2djr n HIS 24 N 0.69 -3.38 -1.12 1.57 -0.00 -1.26 -4.87 115.22 106.86 2djr n HIS 24 Ca 0.12 0.17 -0.29 0.00 -0.00 0.00 0.00 57.72 57.71 2djr n HIS 24 Cb 0.29 -1.28 0.21 0.00 -0.00 0.00 0.00 29.99 29.21 2djr n HIS 24 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2djr s PRO 25 N -1.25 -0.53 -1.05 -1.40 0.04 -1.26 -4.29 135.00 125.26 2djr s PRO 25 Ca 0.40 0.18 -0.04 0.00 0.04 0.00 0.00 61.00 61.58 2djr s PRO 25 Cb -0.28 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2djr s PRO 25 CO 0.62 -3.30 0.91 0.09 0.04 0.00 0.00 177.00 175.35 2djr n ASN 26 N -4.52 -4.13 -0.06 6.66 4.13 -1.26 -4.94 115.26 111.15 2djr n ASN 26 Ca 0.09 -0.47 -0.20 0.00 1.68 0.00 0.00 54.58 55.69 2djr n ASN 26 Cb 0.59 -4.23 -0.13 0.00 -1.54 0.00 0.00 39.78 34.46 2djr n ASN 26 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2djr n GLN 27 N -3.92 0.71 -4.00 3.52 10.64 -1.26 -4.99 117.38 118.07 2djr n GLN 27 Ca -0.09 0.21 -0.11 0.00 -1.83 0.00 0.00 57.00 55.19 2djr n GLN 27 Cb 0.59 -1.62 -0.11 0.00 -0.86 0.00 0.00 30.24 28.23 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 -2.54 0.37 -0.16 2.61 1.51 -1.26 -4.58 117.35 113.30 2djr s TYR 28 Ca -0.28 -0.47 -0.06 0.00 -1.01 0.00 0.00 57.07 55.25 2djr s TYR 28 Cb 0.08 -0.24 -0.04 0.00 -0.11 0.00 0.00 41.96 41.65 2djr s TYR 28 CO 0.69 -0.14 0.05 0.00 -1.11 0.00 0.00 175.55 175.04 2djr s ALA 29 N -1.28 3.38 -0.41 3.71 0.00 0.60 -3.59 121.76 124.17 2djr s ALA 29 Ca -0.12 -0.75 -0.17 0.00 0.00 0.00 0.00 51.96 50.91 2djr s ALA 29 Cb -0.09 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.25 2djr s ALA 29 CO -0.00 0.30 0.44 0.99 0.00 0.00 0.00 175.76 177.48 2djr s THR 30 N 0.00 5.09 0.02 0.00 2.01 0.96 -0.17 115.64 123.55 2djr s THR 30 Ca 0.05 -0.29 -0.32 0.00 0.31 0.00 0.00 61.69 61.44 2djr s THR 30 Cb -0.12 -4.02 -0.10 0.00 0.01 0.00 0.00 72.50 68.26 2djr s THR 30 CO 0.01 -0.39 1.91 0.00 -0.69 0.00 0.00 174.62 175.45 2djr n ARG 32 N 6.74 1.17 -0.12 0.00 1.74 0.16 -0.53 116.66 125.83 2djr n ARG 32 Ca 0.20 -0.25 -0.25 0.00 -0.77 0.00 0.00 57.85 56.78 2djr n ARG 32 Cb 0.36 -1.33 -0.11 0.00 -1.02 0.00 0.00 32.46 30.36 2djr n ARG 32 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2djr n LEU 33 N -0.55 2.20 0.00 0.55 4.77 -1.25 -4.82 117.00 117.90 2djr n LEU 33 Ca 0.15 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 2djr n LEU 33 Cb 0.13 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 2djr n LEU 33 CO 0.12 0.61 -0.41 0.00 -1.33 0.00 0.00 177.39 176.37 2djr n GLY 35 N 2.80 1.41 3.75 0.00 0.00 0.31 -5.02 105.19 108.45 2djr n GLY 35 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.08 4.81 -0.41 1.61 1.81 -1.26 -4.57 118.95 120.86 2djr s ARG 36 Ca 0.00 1.55 -0.25 0.00 -1.72 0.00 0.00 55.73 55.32 2djr s ARG 36 Cb 0.00 -3.26 0.02 0.00 -0.45 0.00 0.00 34.95 31.26 2djr s ARG 36 CO 0.00 0.46 0.88 -0.65 -0.68 0.00 0.00 175.30 175.30 2djr s GLN 37 N -1.24 3.65 -0.21 3.54 -0.21 -1.26 -1.06 119.66 122.87 2djr s GLN 37 Ca 0.42 0.28 -0.02 0.00 0.02 0.00 0.00 55.36 56.05 2djr s GLN 37 Cb -0.27 -3.87 0.00 0.00 1.00 0.00 0.00 33.01 29.87 2djr s GLN 37 CO 0.34 -1.06 -0.09 0.08 -2.12 0.00 0.00 175.29 172.45 2djr s VAL 38 N 3.49 2.97 -0.29 1.09 1.01 0.76 -4.90 120.40 124.53 2djr s VAL 38 Ca 0.35 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 2djr s VAL 38 Cb -0.11 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 2djr s VAL 38 CO 0.22 0.43 0.20 -0.94 0.00 0.00 0.00 175.10 175.01 2djr s SER 39 N 1.41 6.02 0.00 3.32 1.04 -1.26 -0.29 113.70 123.94 2djr s SER 39 Ca 0.05 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2djr s SER 39 Cb -0.14 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 63.86 2djr s SER 39 CO -0.06 -0.09 0.93 0.54 0.98 0.00 0.00 173.24 175.54 2djr n ARG 40 N 5.07 0.00 0.00 4.02 1.74 -1.26 -4.99 116.66 121.24 2djr n ARG 40 Ca -0.14 0.72 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 2djr n ARG 40 Cb 0.52 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 2djr n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2djr n GLY 41 N -0.97 -2.25 0.08 -0.13 0.00 -1.26 -4.72 105.19 95.94 2djr n GLY 41 Ca 0.00 -2.14 -0.13 0.00 0.00 0.00 0.00 46.02 43.75 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 2.04 -0.06 -4.44 1.61 0.13 -2.03 -3.37 132.00 125.89 2djr h PRO 42 Ca 0.00 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.39 2djr h PRO 42 Cb 0.00 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 30.97 2djr h PRO 42 CO 0.00 0.41 1.45 0.41 -0.23 0.00 0.00 178.00 180.04 2djr n GLY 43 N 0.21 3.70 0.00 1.56 0.00 -1.26 -4.48 105.19 104.93 2djr n GLY 43 Ca -0.08 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.87 2djr n GLY 43 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2djr n VAL 44 N 4.23 0.00 -1.56 1.61 0.24 -1.26 -4.78 118.33 116.82 2djr n VAL 44 Ca 0.37 -0.37 -0.31 0.00 -2.04 0.00 0.00 64.34 61.99 2djr n VAL 44 Cb 0.41 1.09 -0.01 0.00 -1.47 0.00 0.00 33.84 33.86 2djr n VAL 44 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2djr n ASN 45 N -0.48 6.89 -0.00 -1.34 3.02 -1.26 -4.20 115.26 117.89 2djr n ASN 45 Ca 0.00 -3.43 0.05 0.00 -0.03 0.00 0.00 54.58 51.17 2djr n ASN 45 Cb 0.02 -1.15 -0.06 0.00 -0.61 0.00 0.00 39.78 37.98 2djr n ASN 45 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2djr n VAL 46 N 0.26 0.00 0.00 2.41 0.24 -1.26 -5.02 118.33 114.96 2djr n VAL 46 Ca 0.50 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.55 2djr n VAL 46 Cb 0.46 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 2djr n VAL 46 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2djr n GLY 47 N 1.29 3.60 3.42 7.63 0.00 -1.26 -5.03 105.19 114.83 2djr n GLY 47 Ca 0.02 -0.92 -0.44 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 4.54 0.10 2.61 2.01 -1.26 -4.73 115.64 118.91 2djr s THR 48 Ca 0.00 -0.68 -0.32 0.00 0.31 0.00 0.00 61.69 61.00 2djr s THR 48 Cb 0.00 -4.61 -0.12 0.00 0.01 0.00 0.00 72.50 67.78 2djr s THR 48 CO 0.00 -1.33 1.79 0.41 -0.69 0.00 0.00 174.62 174.80 2djr n THR 49 N 5.74 0.31 -0.39 -0.82 -1.04 -1.26 -4.79 114.28 112.02 2djr n THR 49 Ca -0.05 -0.06 0.32 0.00 -2.04 0.00 0.00 64.05 62.23 2djr n THR 49 Cb 0.44 -1.96 0.53 0.00 -1.82 0.00 0.00 70.33 67.53 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 5.28 1.11 -0.08 2.41 0.00 -1.26 0.16 120.51 128.13 2djr n ALA 50 Ca 0.18 0.62 -0.07 0.00 0.00 0.00 0.00 53.44 54.18 2djr n ALA 50 Cb 0.34 -0.81 -0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.08 -0.29 0.00 3.38 -1.94 -2.50 115.31 113.88 2djr h LEU 51 Ca 0.67 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.76 2djr h LEU 51 Cb 2.29 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 43.08 2djr h LEU 51 CO -0.28 -0.01 -0.09 -0.50 0.09 0.00 0.00 178.44 177.65 2djr h TRP 52 N 0.10 -0.19 -0.93 1.13 4.06 0.13 -0.63 115.95 119.62 2djr h TRP 52 Ca 0.14 0.03 0.25 0.00 2.06 0.00 0.00 58.89 61.37 2djr h TRP 52 Cb 0.18 0.13 -0.14 0.00 -1.00 0.00 0.00 29.16 28.33 2djr h TRP 52 CO -0.21 -0.14 0.42 0.87 -3.56 0.00 0.00 178.44 175.82 2djr h LYS 53 N -0.02 0.34 -0.15 0.49 1.57 -1.45 0.28 116.57 117.63 2djr h LYS 53 Ca 0.14 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.72 2djr h LYS 53 Cb 0.24 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.48 2djr h LYS 53 CO -0.31 0.22 -0.61 1.25 -0.57 0.00 0.00 179.45 179.43 2djr h HIS 54 N 0.35 0.91 -0.15 -1.35 2.76 -1.08 -1.59 115.15 115.00 2djr h HIS 54 Ca 0.61 -0.38 0.01 0.00 -2.20 0.00 0.00 60.37 58.41 2djr h HIS 54 Cb 1.26 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 30.06 2djr h HIS 54 CO -0.12 1.19 0.08 -0.07 -1.30 0.00 0.00 177.93 177.71 2djr h LEU 55 N 0.37 0.13 0.00 0.26 3.38 0.76 -1.29 115.31 118.93 2djr h LEU 55 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2djr h LEU 55 Cb 1.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2djr h LEU 55 CO 0.13 0.10 0.00 0.29 0.09 0.00 0.00 178.44 179.05 2djr n LYS 56 N -5.01 0.03 0.10 1.13 5.02 0.70 0.24 118.16 120.36 2djr n LYS 56 Ca -0.04 0.07 -0.22 0.00 -2.02 0.00 0.00 58.31 56.10 2djr n LYS 56 Cb 0.04 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.40 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 0.00 0.67 0.00 4.39 0.87 -0.23 -3.35 113.55 115.90 2djr h SER 57 Ca 0.00 -0.83 0.00 0.00 -1.23 0.00 0.00 61.79 59.73 2djr h SER 57 Cb 0.41 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2djr h SER 57 CO 0.00 1.68 -0.62 1.15 -0.53 0.00 0.00 176.83 178.51 2djr n MET 58 N -3.62 1.70 -0.91 2.24 0.00 -0.60 -4.75 117.12 111.19 2djr n MET 58 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.40 2djr n MET 58 Cb 1.08 -0.81 0.21 0.00 0.00 0.00 0.00 33.22 33.70 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 -1.64 2.23 -0.14 3.17 8.25 0.64 -4.51 115.22 123.22 2djr n HIS 59 Ca 0.00 -1.25 0.19 0.00 -0.26 0.00 0.00 57.72 56.40 2djr n HIS 59 Cb 0.31 -0.69 0.59 0.00 1.12 0.00 0.00 29.99 31.31 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 1.64 0.24 -0.03 -0.41 2.43 -0.65 -1.19 114.38 116.41 2djr h ARG 60 Ca 0.34 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.42 2djr h ARG 60 Cb 2.25 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.75 2djr h ARG 60 CO 0.73 0.16 -0.27 0.93 -1.51 0.00 0.00 179.97 180.01 2djr h GLU 61 N 0.25 0.24 0.15 0.20 5.08 -1.85 -3.04 114.58 115.61 2djr h GLU 61 Ca 0.37 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2djr h GLU 61 Cb 1.09 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 2djr h GLU 61 CO -0.08 0.90 -0.35 0.93 -1.00 0.00 0.00 179.01 179.40 2djr h GLU 62 N -0.35 -0.57 -0.08 2.33 3.07 -1.59 0.24 114.58 117.64 2djr h GLU 62 Ca -0.03 0.04 0.03 0.00 -0.50 0.00 0.00 59.36 58.90 2djr h GLU 62 Cb 0.97 0.13 -0.06 0.00 -0.84 0.00 0.00 28.75 28.95 2djr h GLU 62 CO 0.06 -0.38 -0.50 -0.07 -1.40 0.00 0.00 179.01 176.71 2djr h LEU 63 N -0.59 -1.56 -1.03 1.33 3.38 -1.45 -0.07 115.31 115.33 2djr h LEU 63 Ca 0.02 0.19 0.10 0.00 0.09 0.00 0.00 57.88 58.28 2djr h LEU 63 Cb 0.61 0.61 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 2djr h LEU 63 CO -0.18 -0.48 0.63 -0.33 0.09 0.00 0.00 178.44 178.17 2djr h GLU 64 N -0.59 1.01 -0.36 1.13 5.08 -1.39 -1.89 114.58 117.57 2djr h GLU 64 Ca 0.04 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2djr h GLU 64 Cb 0.68 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2djr h GLU 64 CO -0.39 0.67 0.16 -0.22 -1.00 0.00 0.00 179.01 178.23 2djr h LYS 65 N 1.04 0.32 0.00 2.33 3.64 0.85 -3.43 116.57 121.33 2djr h LYS 65 Ca 0.47 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.62 2djr h LYS 65 Cb 0.38 -0.07 0.10 0.00 -0.41 0.00 0.00 32.23 32.24 2djr h LYS 65 CO -0.23 0.21 0.08 0.43 -2.27 0.00 0.00 179.45 177.67 2djr n SER 66 N -4.97 -1.45 -1.83 4.20 7.64 -0.17 -4.86 113.62 112.18 2djr n SER 66 Ca 0.01 -0.89 -0.09 0.00 1.01 0.00 0.00 58.87 58.91 2djr n SER 66 Cb 0.11 -0.54 -0.07 0.00 -1.01 0.00 0.00 64.21 62.70 2djr n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djr n GLY 67 N -1.25 3.04 3.18 0.23 0.00 -1.26 -4.70 105.19 104.42 2djr n GLY 67 Ca 0.08 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 2djr n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2djr s HIS 68 N 0.05 3.96 -0.33 1.61 3.76 -1.25 -5.04 115.29 118.05 2djr s HIS 68 Ca 0.35 -2.87 -0.17 0.00 -0.15 0.00 0.00 55.06 52.23 2djr s HIS 68 Cb 0.19 -3.43 -0.01 0.00 1.11 0.00 0.00 32.58 30.44 2djr s HIS 68 CO -0.02 -0.81 0.45 0.20 -0.85 0.00 0.00 174.74 173.70 2djr s GLY 69 N 0.42 1.85 -1.52 -2.22 0.00 -1.26 -4.34 107.32 100.26 2djr s GLY 69 Ca 0.27 -1.03 -0.11 0.00 0.00 0.00 0.00 44.72 43.85 2djr s GLY 69 CO -0.10 1.15 0.82 -1.06 0.00 0.00 0.00 173.10 173.90 2djr n GLN 70 N 5.57 -4.62 -1.48 2.90 1.13 -1.26 -4.76 117.38 114.87 2djr n GLN 70 Ca -0.07 0.53 -0.46 0.00 -1.94 0.00 0.00 57.00 55.06 2djr n GLN 70 Cb 0.49 -5.23 -0.07 0.00 0.11 0.00 0.00 30.24 25.54 2djr n GLN 70 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2djr n SER 71 N -2.85 1.91 -1.11 1.08 2.88 -1.26 -2.93 113.62 111.35 2djr n SER 71 Ca -0.05 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2djr n SER 71 Cb 0.56 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 2djr n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djr n GLY 72 N 6.41 -0.05 0.22 0.46 0.00 -1.26 -5.01 105.19 105.96 2djr n GLY 72 Ca 0.44 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 2djr n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djr h PRO 73 N 0.00 0.74 -1.91 1.61 0.13 -1.91 -3.22 132.00 127.44 2djr h PRO 73 Ca 0.00 -0.39 -0.21 0.00 -0.87 0.00 0.00 66.00 64.53 2djr h PRO 73 Cb 0.64 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.70 2djr h PRO 73 CO 0.00 1.01 0.01 -1.13 -0.23 0.00 0.00 178.00 177.66 2djr n SER 74 N -4.23 5.72 0.00 1.44 3.41 -1.26 -3.73 113.62 114.96 2djr n SER 74 Ca -0.03 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 55.88 2djr n SER 74 Cb 0.48 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 2djr n SER 74 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2djr n SER 75 N 1.52 0.32 0.00 4.04 7.64 -1.21 -5.09 113.62 120.84 2djr n SER 75 Ca 0.29 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2djr n SER 75 Cb 0.67 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 2djr n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64