#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djr s SER 2 N 0.00 6.26 0.07 1.61 0.01 -1.26 -5.01 113.70 115.38 2djr s SER 2 Ca 0.00 -0.61 -0.26 0.00 1.31 0.00 0.00 55.95 56.39 2djr s SER 2 Cb 0.00 -2.29 0.07 0.00 0.21 0.00 0.00 66.02 64.01 2djr s SER 2 CO 0.00 -0.78 0.66 -0.55 0.41 0.00 0.00 173.24 172.98 2djr s SER 3 N 2.20 -0.58 0.23 2.44 0.15 -1.26 -5.17 113.70 111.71 2djr s SER 3 Ca 0.18 0.24 -0.00 0.00 0.70 0.00 0.00 55.95 57.07 2djr s SER 3 Cb -0.16 0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 2djr s SER 3 CO 0.15 -0.81 0.42 -0.83 1.20 0.00 0.00 173.24 173.37 2djr s GLY 4 N -2.18 1.66 0.14 9.45 0.00 -1.26 -5.02 107.32 110.12 2djr s GLY 4 Ca -0.03 -0.87 -0.28 0.00 0.00 0.00 0.00 44.72 43.54 2djr s GLY 4 CO -0.05 -0.83 0.60 -1.14 0.00 0.00 0.00 173.10 171.68 2djr n SER 5 N -0.93 -0.91 -4.12 1.64 3.41 -1.26 -4.97 113.62 106.49 2djr n SER 5 Ca -0.05 1.06 -0.09 0.00 -0.26 0.00 0.00 58.87 59.53 2djr n SER 5 Cb 0.54 -0.88 -0.10 0.00 -0.26 0.00 0.00 64.21 63.52 2djr n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2djr s SER 6 N -0.72 0.77 -1.06 4.04 0.15 -1.26 -5.10 113.70 110.52 2djr s SER 6 Ca 0.65 -1.00 -0.07 0.00 0.70 0.00 0.00 55.95 56.24 2djr s SER 6 Cb -0.93 0.15 0.27 0.00 -1.71 0.00 0.00 66.02 63.80 2djr s SER 6 CO 0.52 -0.54 1.05 0.61 1.20 0.00 0.00 173.24 176.08 2djr n GLY 7 N 0.07 4.23 1.97 9.45 0.00 -1.26 -4.88 105.19 114.76 2djr n GLY 7 Ca -0.13 -2.60 -0.17 0.00 0.00 0.00 0.00 46.02 43.12 2djr n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2djr n SER 8 N 2.51 6.31 -0.01 1.61 7.64 -1.26 -4.13 113.62 126.30 2djr n SER 8 Ca 0.24 -3.00 -0.01 0.00 1.01 0.00 0.00 58.87 57.10 2djr n SER 8 Cb 0.38 -1.11 -0.12 0.00 -1.01 0.00 0.00 64.21 62.35 2djr n SER 8 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2djr n GLU 9 N 0.65 0.65 0.22 1.43 4.07 -1.26 -4.10 120.64 122.30 2djr n GLU 9 Ca 0.31 0.10 0.16 0.00 -0.06 0.00 0.00 57.16 57.67 2djr n GLU 9 Cb 0.58 -1.69 0.83 0.00 -0.06 0.00 0.00 31.44 31.11 2djr n GLU 9 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2djr h ALA 10 N 1.39 1.78 -0.75 4.31 0.00 -1.98 -1.33 119.26 122.67 2djr h ALA 10 Ca -0.24 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 54.86 2djr h ALA 10 Cb 1.68 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 2djr h ALA 10 CO 0.04 -0.21 0.52 -1.49 0.00 0.00 0.00 179.25 178.10 2djr h TRP 11 N 0.00 0.19 0.00 0.00 4.06 -1.89 0.27 115.95 118.58 2djr h TRP 11 Ca 0.07 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.02 2djr h TRP 11 Cb 0.35 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.45 2djr h TRP 11 CO 0.00 0.06 0.13 0.93 -3.56 0.00 0.00 178.44 176.00 2djr h GLU 12 N 0.15 0.00 -0.33 0.49 4.39 -1.52 0.40 114.58 118.16 2djr h GLU 12 Ca 0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.07 2djr h GLU 12 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2djr h GLU 12 CO -0.06 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.45 2djr n TYR 13 N -2.53 1.13 -3.69 4.33 4.02 0.95 -4.81 117.16 116.56 2djr n TYR 13 Ca -0.02 -0.83 -0.12 0.00 -0.01 0.00 0.00 57.90 56.92 2djr n TYR 13 Cb 0.17 -0.33 -0.06 0.00 -0.02 0.00 0.00 39.34 39.09 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 -2.72 -0.20 -0.06 -0.72 0.40 0.14 -0.00 117.98 114.83 2djr s PHE 14 Ca 0.44 0.09 -0.02 0.00 -0.60 0.00 0.00 56.93 56.83 2djr s PHE 14 Cb 0.34 0.18 0.04 0.00 0.51 0.00 0.00 43.02 44.09 2djr s PHE 14 CO 0.11 -0.56 0.12 -3.38 0.70 0.00 0.00 175.22 172.21 2djr s HIS 15 N -2.68 -0.12 0.32 0.36 -3.43 0.31 -4.77 115.29 105.28 2djr s HIS 15 Ca -0.04 0.42 -0.29 0.00 -0.80 0.00 0.00 55.06 54.36 2djr s HIS 15 Cb -0.00 -0.15 -0.10 0.00 -1.43 0.00 0.00 32.58 30.89 2djr s HIS 15 CO -0.04 -0.17 1.28 -0.51 -2.00 0.00 0.00 174.74 173.31 2djr s LEU 16 N 1.34 4.44 0.21 5.38 1.43 -1.26 0.09 118.68 130.31 2djr s LEU 16 Ca -0.07 2.63 -0.08 0.00 -1.03 0.00 0.00 54.13 55.58 2djr s LEU 16 Cb -0.12 -3.65 -0.07 0.00 0.03 0.00 0.00 46.19 42.39 2djr s LEU 16 CO -0.05 -0.49 0.50 0.00 0.23 0.00 0.00 176.35 176.54 2djr s ALA 17 N -1.11 3.63 0.52 4.21 0.00 -1.25 -4.90 121.76 122.86 2djr s ALA 17 Ca 0.49 -0.37 -0.21 0.00 0.00 0.00 0.00 51.96 51.87 2djr s ALA 17 Cb -0.39 -2.34 -0.06 0.00 0.00 0.00 0.00 23.12 20.33 2djr s ALA 17 CO 0.51 0.54 1.14 -1.25 0.00 0.00 0.00 175.76 176.70 2djr s PRO 18 N -2.82 3.49 -0.55 0.00 0.04 -1.26 -4.36 135.00 129.55 2djr s PRO 18 Ca 0.45 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 63.14 2djr s PRO 18 Cb -0.11 -2.13 0.14 0.00 0.04 0.00 0.00 34.50 32.43 2djr s PRO 18 CO 0.23 -0.75 0.33 0.00 0.04 0.00 0.00 177.00 176.85 2djr s ALA 19 N -1.70 3.40 -0.22 8.56 0.00 -1.26 -4.88 121.76 125.66 2djr s ALA 19 Ca 0.70 -3.08 -0.05 0.00 0.00 0.00 0.00 51.96 49.52 2djr s ALA 19 Cb -0.25 -2.47 -0.12 0.00 0.00 0.00 0.00 23.12 20.28 2djr s ALA 19 CO 0.29 -2.00 -0.25 0.54 0.00 0.00 0.00 175.76 174.34 2djr n ARG 20 N 3.67 0.51 -3.49 0.00 1.74 -1.26 -4.84 116.66 112.99 2djr n ARG 20 Ca 0.05 0.17 -0.27 0.00 -0.77 0.00 0.00 57.85 57.04 2djr n ARG 20 Cb 0.38 -1.37 -0.10 0.00 -1.02 0.00 0.00 32.46 30.34 2djr n ARG 20 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2djr n ALA 21 N -3.61 3.00 0.00 7.54 0.00 -1.26 -5.07 120.51 121.10 2djr n ALA 21 Ca -0.42 -3.55 0.00 0.00 0.00 0.00 0.00 53.44 49.46 2djr n ALA 21 Cb 0.86 -0.83 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 2.36 -0.85 3.92 0.00 0.00 -1.26 -5.16 105.19 104.20 2djr n GLY 22 Ca 0.27 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 2djr n GLY 22 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2djr s HIS 23 N -4.00 2.10 0.71 1.61 3.76 -1.26 -5.01 115.29 113.21 2djr s HIS 23 Ca 0.00 0.45 -0.16 0.00 -0.15 0.00 0.00 55.06 55.20 2djr s HIS 23 Cb 0.00 -3.84 -0.05 0.00 1.11 0.00 0.00 32.58 29.80 2djr s HIS 23 CO 0.00 -2.28 0.50 -2.39 -0.85 0.00 0.00 174.74 169.72 2djr n HIS 24 N -3.55 -0.87 -1.16 1.40 -0.00 -1.26 -4.86 115.22 104.93 2djr n HIS 24 Ca 0.12 0.36 -0.29 0.00 -0.00 0.00 0.00 57.72 57.91 2djr n HIS 24 Cb 0.60 -1.91 0.18 0.00 -0.00 0.00 0.00 29.99 28.87 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 -2.67 0.22 -1.40 -1.40 0.04 -1.26 -4.05 135.00 124.48 2djr s PRO 25 Ca 0.65 0.45 -0.07 0.00 0.04 0.00 0.00 61.00 62.07 2djr s PRO 25 Cb -0.36 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.47 2djr s PRO 25 CO 0.58 -2.86 0.91 0.09 0.04 0.00 0.00 177.00 175.77 2djr n ASN 26 N -4.25 -6.16 -0.11 6.66 4.13 -1.26 -4.92 115.26 109.34 2djr n ASN 26 Ca 0.05 -0.42 -0.21 0.00 1.68 0.00 0.00 54.58 55.68 2djr n ASN 26 Cb 0.58 -4.87 -0.10 0.00 -1.54 0.00 0.00 39.78 33.85 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 -4.47 0.56 -4.39 3.52 10.64 -1.26 -4.99 117.38 116.99 2djr n GLN 27 Ca -0.04 0.49 -0.27 0.00 -1.83 0.00 0.00 57.00 55.34 2djr n GLN 27 Cb 0.58 -1.67 -0.12 0.00 -0.86 0.00 0.00 30.24 28.18 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 -2.40 2.37 -0.17 2.61 1.51 -1.26 -4.03 117.35 115.97 2djr s TYR 28 Ca -0.30 -0.34 -0.02 0.00 -1.01 0.00 0.00 57.07 55.41 2djr s TYR 28 Cb 0.08 -1.20 -0.01 0.00 -0.11 0.00 0.00 41.96 40.71 2djr s TYR 28 CO 0.52 0.46 -0.08 0.00 -1.11 0.00 0.00 175.55 175.34 2djr s ALA 29 N -1.51 2.75 -0.46 3.71 0.00 -0.00 -3.75 121.76 122.50 2djr s ALA 29 Ca 0.20 -0.98 -0.21 0.00 0.00 0.00 0.00 51.96 50.97 2djr s ALA 29 Cb -0.09 -1.45 0.03 0.00 0.00 0.00 0.00 23.12 21.62 2djr s ALA 29 CO 0.10 -0.01 0.67 0.99 0.00 0.00 0.00 175.76 177.50 2djr s THR 30 N 0.78 4.80 0.24 0.00 2.01 0.11 -0.27 115.64 123.31 2djr s THR 30 Ca -0.03 0.04 -0.31 0.00 0.31 0.00 0.00 61.69 61.70 2djr s THR 30 Cb -0.15 -4.25 -0.13 0.00 0.01 0.00 0.00 72.50 67.98 2djr s THR 30 CO 0.01 -0.67 1.39 0.00 -0.69 0.00 0.00 174.62 174.67 2djr n ARG 32 N 1.94 1.47 -0.11 0.00 1.74 1.00 -2.00 116.66 120.70 2djr n ARG 32 Ca 0.11 -0.95 -0.22 0.00 -0.77 0.00 0.00 57.85 56.02 2djr n ARG 32 Cb 0.32 -1.48 -0.11 0.00 -1.02 0.00 0.00 32.46 30.17 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 0.06 1.87 -0.02 0.55 4.77 -1.26 -4.79 117.00 118.19 2djr n LEU 33 Ca 0.16 0.42 -0.03 0.00 -0.03 0.00 0.00 56.01 56.52 2djr n LEU 33 Cb 0.39 -0.94 -0.02 0.00 -2.33 0.00 0.00 43.42 40.52 2djr n LEU 33 CO 0.20 0.28 -0.66 0.00 -1.33 0.00 0.00 177.39 175.89 2djr n GLY 35 N 3.19 1.78 3.81 0.00 0.00 -0.85 -5.03 105.19 108.09 2djr n GLY 35 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.36 4.27 -0.45 1.61 1.81 -1.26 -4.66 118.95 119.91 2djr s ARG 36 Ca 0.00 0.82 -0.27 0.00 -1.72 0.00 0.00 55.73 54.56 2djr s ARG 36 Cb 0.00 -3.17 0.03 0.00 -0.45 0.00 0.00 34.95 31.35 2djr s ARG 36 CO 0.00 0.58 1.00 -0.65 -0.68 0.00 0.00 175.30 175.55 2djr s GLN 37 N -1.30 3.66 -0.25 3.54 -1.52 -1.26 -1.42 119.66 121.11 2djr s GLN 37 Ca 0.33 0.39 0.02 0.00 -1.95 0.00 0.00 55.36 54.15 2djr s GLN 37 Cb -0.20 -3.89 0.05 0.00 -0.22 0.00 0.00 33.01 28.75 2djr s GLN 37 CO 0.21 -1.22 -0.10 0.08 -0.25 0.00 0.00 175.29 174.00 2djr s VAL 38 N 3.94 2.33 0.05 1.09 1.01 0.63 -4.90 120.40 124.54 2djr s VAL 38 Ca 0.41 -1.45 -0.13 0.00 0.00 0.00 0.00 61.98 60.81 2djr s VAL 38 Cb -0.09 -2.29 -0.06 0.00 0.00 0.00 0.00 36.38 33.93 2djr s VAL 38 CO 0.27 0.06 0.43 -0.94 0.00 0.00 0.00 175.10 174.92 2djr s SER 39 N 1.17 6.77 -0.05 3.32 1.04 -1.26 -0.82 113.70 123.86 2djr s SER 39 Ca -0.06 0.94 -0.20 0.00 0.48 0.00 0.00 55.95 57.11 2djr s SER 39 Cb -0.19 -2.24 -0.31 0.00 0.10 0.00 0.00 66.02 63.39 2djr s SER 39 CO -0.06 0.25 0.83 0.03 0.98 0.00 0.00 173.24 175.27 2djr h ARG 40 N 4.25 0.30 0.00 4.02 3.08 -1.95 -3.49 114.38 120.59 2djr h ARG 40 Ca -0.50 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 59.03 2djr h ARG 40 Cb 1.21 0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.45 2djr h ARG 40 CO 0.64 1.25 0.00 0.41 -1.07 0.00 0.00 179.97 181.19 2djr n GLY 41 N 1.69 -0.57 0.23 0.04 0.00 -1.26 -3.78 105.19 101.53 2djr n GLY 41 Ca -0.16 -1.08 0.10 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 0.00 -1.67 1.61 0.13 -2.00 -3.18 132.00 126.88 2djr h PRO 42 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 2djr h PRO 42 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 2djr h PRO 42 CO 0.00 0.22 0.35 0.41 -0.23 0.00 0.00 178.00 178.75 2djr n GLY 43 N -0.06 4.02 0.11 1.56 0.00 -1.25 -4.22 105.19 105.35 2djr n GLY 43 Ca -0.00 -1.21 -0.15 0.00 0.00 0.00 0.00 46.02 44.66 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 0.62 1.68 -0.29 1.61 3.14 -1.20 -4.20 118.33 119.69 2djr n VAL 44 Ca 0.33 -0.73 0.27 0.00 -2.96 0.00 0.00 64.34 61.25 2djr n VAL 44 Cb 0.58 -1.36 0.48 0.00 -1.06 0.00 0.00 33.84 32.48 2djr n VAL 44 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2djr n ASN 45 N -3.25 0.23 -4.29 6.55 3.02 -1.26 -4.39 115.26 111.87 2djr n ASN 45 Ca -0.25 1.20 -0.58 0.00 -0.03 0.00 0.00 54.58 54.92 2djr n ASN 45 Cb 1.05 -0.59 -0.11 0.00 -0.61 0.00 0.00 39.78 39.52 2djr n ASN 45 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2djr n VAL 46 N -4.55 0.03 -0.36 2.41 0.31 -1.26 -4.72 118.33 110.20 2djr n VAL 46 Ca 0.30 -0.05 0.32 0.00 -0.01 0.00 0.00 64.34 64.90 2djr n VAL 46 Cb 1.07 -0.70 0.55 0.00 -0.91 0.00 0.00 33.84 33.85 2djr n VAL 46 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2djr n GLY 47 N 7.31 -0.69 3.32 2.92 0.00 -1.26 -2.72 105.19 114.06 2djr n GLY 47 Ca 0.53 0.66 -0.43 0.00 0.00 0.00 0.00 46.02 46.78 2djr n GLY 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2djr n THR 48 N -4.59 3.85 -0.99 2.61 -1.04 -1.26 -4.50 114.28 108.36 2djr n THR 48 Ca 0.34 -3.86 -0.37 0.00 -2.04 0.00 0.00 64.05 58.11 2djr n THR 48 Cb 1.25 -2.43 -0.04 0.00 -1.82 0.00 0.00 70.33 67.29 2djr n THR 48 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2djr n THR 49 N 5.81 0.43 0.22 12.58 -2.24 -1.10 -4.65 114.28 125.33 2djr n THR 49 Ca 0.49 -0.11 0.08 0.00 -2.27 0.00 0.00 64.05 62.24 2djr n THR 49 Cb 0.44 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 69.09 2djr n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2djr h ALA 50 N 1.59 1.32 -0.49 6.98 0.00 -1.87 0.41 119.26 127.19 2djr h ALA 50 Ca -0.29 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2djr h ALA 50 Cb 0.96 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2djr h ALA 50 CO 0.42 -0.32 0.23 -0.07 0.00 0.00 0.00 179.25 179.51 2djr h LEU 51 N 0.00 0.64 0.67 0.00 3.38 -1.95 -3.08 115.31 114.98 2djr h LEU 51 Ca 0.00 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2djr h LEU 51 Cb 0.80 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.39 2djr h LEU 51 CO 0.00 0.60 -0.32 -0.50 0.09 0.00 0.00 178.44 178.31 2djr h TRP 52 N 0.64 -0.83 -1.11 1.13 4.06 -1.20 -1.71 115.95 116.93 2djr h TRP 52 Ca 0.17 -0.02 0.42 0.00 2.06 0.00 0.00 58.89 61.52 2djr h TRP 52 Cb 0.13 0.27 -0.15 0.00 -1.00 0.00 0.00 29.16 28.41 2djr h TRP 52 CO -0.01 -0.49 0.66 1.63 -3.56 0.00 0.00 178.44 176.67 2djr n LYS 53 N -5.44 -0.05 0.09 0.49 5.02 -1.20 0.17 118.16 117.24 2djr n LYS 53 Ca -0.13 1.26 -0.22 0.00 -2.02 0.00 0.00 58.31 57.19 2djr n LYS 53 Cb 0.37 -2.35 -0.13 0.00 -0.02 0.00 0.00 35.03 32.90 2djr n LYS 53 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2djr h HIS 54 N 0.00 1.02 -0.01 2.13 2.76 -1.40 -2.17 115.15 117.48 2djr h HIS 54 Ca 0.82 -0.63 -0.00 0.00 -2.20 0.00 0.00 60.37 58.36 2djr h HIS 54 Cb 2.39 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 31.27 2djr h HIS 54 CO -0.01 1.47 0.00 -0.07 -1.30 0.00 0.00 177.93 178.03 2djr h LEU 55 N 0.28 0.02 0.00 0.26 3.38 0.27 -1.45 115.31 118.06 2djr h LEU 55 Ca -0.18 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2djr h LEU 55 Cb 1.90 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.64 2djr h LEU 55 CO 0.24 0.20 0.00 0.29 0.09 0.00 0.00 178.44 179.25 2djr n LYS 56 N -4.99 0.08 0.05 1.13 5.02 0.91 0.26 118.16 120.62 2djr n LYS 56 Ca -0.07 0.10 -0.22 0.00 -2.02 0.00 0.00 58.31 56.10 2djr n LYS 56 Cb 0.12 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.48 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 0.52 0.00 4.39 0.87 -0.87 -3.36 113.55 115.11 2djr h SER 57 Ca 0.00 -0.91 0.00 0.00 -1.23 0.00 0.00 61.79 59.65 2djr h SER 57 Cb 0.35 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2djr h SER 57 CO 0.00 1.70 -0.83 1.15 -0.53 0.00 0.00 176.83 178.32 2djr n MET 58 N -3.76 2.85 -1.05 2.24 0.00 -0.60 -4.71 117.12 112.10 2djr n MET 58 Ca -0.24 0.00 -0.14 0.00 0.00 0.00 0.00 57.70 57.32 2djr n MET 58 Cb 0.99 -0.91 0.22 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 -1.83 2.58 -0.13 3.17 8.25 0.72 -4.52 115.22 123.46 2djr n HIS 59 Ca 0.00 -1.45 0.09 0.00 -0.26 0.00 0.00 57.72 56.10 2djr n HIS 59 Cb 0.41 -0.78 0.43 0.00 1.12 0.00 0.00 29.99 31.17 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 0.56 -0.08 -0.41 2.43 -0.69 -0.71 114.38 117.12 2djr h ARG 60 Ca 0.43 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.39 2djr h ARG 60 Cb 2.49 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 31.91 2djr h ARG 60 CO 0.87 0.37 -0.71 0.93 -1.51 0.00 0.00 179.97 179.92 2djr h GLU 61 N 0.58 0.40 -0.25 0.20 5.08 -1.85 -2.50 114.58 116.23 2djr h GLU 61 Ca 0.30 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2djr h GLU 61 Cb 0.42 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2djr h GLU 61 CO -0.10 0.95 -0.04 1.49 -1.00 0.00 0.00 179.01 180.32 2djr h GLU 62 N 0.27 0.47 0.67 2.33 4.57 -1.51 -1.80 114.58 119.58 2djr h GLU 62 Ca -0.03 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 57.95 2djr h GLU 62 Cb 1.27 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.84 2djr h GLU 62 CO 0.12 0.67 -0.32 -0.07 -1.18 0.00 0.00 179.01 178.23 2djr h LEU 63 N 0.22 -0.76 -0.68 1.64 3.38 -1.29 -2.53 115.31 115.29 2djr h LEU 63 Ca 0.07 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.16 2djr h LEU 63 Cb 0.48 0.20 -0.10 0.00 0.09 0.00 0.00 40.66 41.33 2djr h LEU 63 CO 0.02 -0.44 0.17 1.05 0.09 0.00 0.00 178.44 179.33 2djr h GLU 64 N -1.06 0.28 -0.27 1.13 4.11 -1.52 -1.42 114.58 115.84 2djr h GLU 64 Ca -0.09 -0.02 0.06 0.00 0.07 0.00 0.00 59.36 59.38 2djr h GLU 64 Cb 0.72 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 2djr h GLU 64 CO 0.15 0.18 -0.15 -0.22 0.07 0.00 0.00 179.01 179.04 2djr h LYS 65 N 0.28 -0.12 0.00 1.06 1.63 -1.26 -3.43 116.57 114.74 2djr h LYS 65 Ca 0.37 0.01 -0.28 0.00 -0.85 0.00 0.00 60.65 59.90 2djr h LYS 65 Cb 0.60 0.03 0.13 0.00 -0.60 0.00 0.00 32.23 32.39 2djr h LYS 65 CO -0.46 -0.08 0.11 0.43 -3.45 0.00 0.00 179.45 176.00 2djr n SER 66 N -5.32 -1.54 -1.89 4.20 7.64 -0.53 -4.88 113.62 111.31 2djr n SER 66 Ca -0.00 -1.01 -0.11 0.00 1.01 0.00 0.00 58.87 58.76 2djr n SER 66 Cb 0.23 -0.70 -0.05 0.00 -1.01 0.00 0.00 64.21 62.69 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 -2.37 3.29 2.32 0.23 0.00 -1.26 -4.43 105.19 102.97 2djr n GLY 67 Ca 0.11 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 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 1.42 3.14 0.12 1.61 8.25 -1.24 -4.69 115.22 123.84 2djr n HIS 68 Ca 0.27 -2.86 -0.12 0.00 -0.26 0.00 0.00 57.72 54.75 2djr n HIS 68 Cb 0.64 -1.24 -0.07 0.00 1.12 0.00 0.00 29.99 30.44 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 2.10 -0.38 -1.00 -1.41 0.00 -1.84 -3.24 103.07 97.31 2djr h GLY 69 Ca 0.56 0.14 0.34 0.00 0.00 0.00 0.00 47.33 48.37 2djr h GLY 69 CO 1.44 -0.14 0.24 -1.06 0.00 0.00 0.00 176.54 177.03 2djr n GLN 70 N -5.05 -0.07 -2.75 4.80 6.02 -1.26 -3.53 117.38 115.54 2djr n GLN 70 Ca -0.08 1.44 -0.41 0.00 -0.01 0.00 0.00 57.00 57.94 2djr n GLN 70 Cb 0.26 -2.41 -0.04 0.00 1.02 0.00 0.00 30.24 29.07 2djr n GLN 70 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2djr s SER 71 N -4.80 7.46 -1.05 1.08 0.15 -1.22 -4.14 113.70 111.18 2djr s SER 71 Ca -0.11 1.75 -0.19 0.00 0.70 0.00 0.00 55.95 58.10 2djr s SER 71 Cb 0.31 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 62.07 2djr s SER 71 CO 0.78 -0.08 0.68 0.61 1.20 0.00 0.00 173.24 176.43 2djr n GLY 72 N 2.33 -1.05 0.24 9.45 0.00 -1.26 -4.84 105.19 110.05 2djr n GLY 72 Ca 0.02 0.46 0.11 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.56 0.00 0.00 1.61 0.13 -1.71 -3.41 132.00 127.06 2djr h PRO 73 Ca -0.64 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 2djr h PRO 73 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2djr h PRO 73 CO 0.45 0.19 0.00 0.43 -0.23 0.00 0.00 178.00 178.84 2djr n SER 74 N -3.43 0.38 -3.64 1.44 7.64 -1.26 -5.08 113.62 109.66 2djr n SER 74 Ca -0.00 0.32 -0.41 0.00 1.01 0.00 0.00 58.87 59.79 2djr n SER 74 Cb 0.38 0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 2djr n SER 74 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2djr n SER 75 N -3.44 -0.83 0.00 6.43 7.64 -1.26 -5.27 113.62 116.88 2djr n SER 75 Ca 0.00 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.82 2djr n SER 75 Cb 0.00 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 2djr n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64