#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 6.04 -0.19 1.61 1.04 -1.26 -5.00 113.70 115.93 2djr s SER 2 Ca 0.00 -3.07 -0.28 0.00 0.48 0.00 0.00 55.95 53.08 2djr s SER 2 Cb 0.00 -2.00 0.12 0.00 0.10 0.00 0.00 66.02 64.24 2djr s SER 2 CO 0.00 -0.38 0.98 -0.94 0.98 0.00 0.00 173.24 173.88 2djr s SER 3 N 0.99 -0.43 -0.28 7.02 1.04 -1.26 -5.15 113.70 115.63 2djr s SER 3 Ca 0.21 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.24 2djr s SER 3 Cb -0.14 0.54 0.14 0.00 0.10 0.00 0.00 66.02 66.67 2djr s SER 3 CO -0.07 -0.30 0.35 -0.83 0.98 0.00 0.00 173.24 173.36 2djr s GLY 4 N -0.64 -0.34 -0.11 7.32 0.00 -1.26 -5.04 107.32 107.26 2djr s GLY 4 Ca -0.01 0.05 -0.03 0.00 0.00 0.00 0.00 44.72 44.73 2djr s GLY 4 CO -0.00 2.79 -0.04 0.23 0.00 0.00 0.00 173.10 176.07 2djr h SER 5 N 8.22 0.00 -6.07 1.64 0.87 -2.01 -3.49 113.55 112.71 2djr h SER 5 Ca -0.12 -0.02 -0.42 0.00 -1.23 0.00 0.00 61.79 60.01 2djr h SER 5 Cb 1.10 0.00 0.06 0.00 -0.44 0.00 0.00 62.40 63.12 2djr h SER 5 CO 0.30 0.59 -0.82 -0.24 -0.53 0.00 0.00 176.83 176.13 2djr n SER 6 N -4.73 -1.50 -3.41 6.23 2.88 -1.26 -3.15 113.62 108.68 2djr n SER 6 Ca -0.02 -0.80 -0.20 0.00 -1.33 0.00 0.00 58.87 56.51 2djr n SER 6 Cb 0.09 -4.12 0.00 0.00 -0.75 0.00 0.00 64.21 59.43 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 -1.56 -0.85 0.12 0.46 0.00 -1.24 -4.37 105.19 97.74 2djr n GLY 7 Ca -0.27 0.51 0.12 0.00 0.00 0.00 0.00 46.02 46.37 2djr n GLY 7 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2djr h SER 8 N 0.21 0.00 -1.14 1.61 4.64 -1.88 -3.34 113.55 113.66 2djr h SER 8 Ca -0.48 -0.08 0.32 0.00 -0.47 0.00 0.00 61.79 61.09 2djr h SER 8 Cb 1.06 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.04 2djr h SER 8 CO 0.26 0.04 0.74 -0.08 -0.87 0.00 0.00 176.83 176.92 2djr h GLU 9 N 0.00 0.26 -0.98 4.77 4.57 -1.90 0.40 114.58 121.70 2djr h GLU 9 Ca 0.00 -0.02 0.21 0.00 -1.18 0.00 0.00 59.36 58.37 2djr h GLU 9 Cb 0.85 -0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 29.29 2djr h GLU 9 CO 0.00 0.17 0.62 0.00 -1.18 0.00 0.00 179.01 178.62 2djr h ALA 10 N 1.60 1.97 -0.72 2.92 0.00 -1.95 0.23 119.26 123.31 2djr h ALA 10 Ca 0.66 0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.83 2djr h ALA 10 Cb 1.89 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 2djr h ALA 10 CO -0.32 -0.33 0.52 -1.49 0.00 0.00 0.00 179.25 177.63 2djr h TRP 11 N 0.57 0.07 -0.01 0.00 -0.00 -0.49 0.28 115.95 116.36 2djr h TRP 11 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.44 2djr h TRP 11 Cb 1.12 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.16 30.26 2djr h TRP 11 CO -0.00 0.02 0.14 0.93 -0.00 0.00 0.00 178.44 179.52 2djr h GLU 12 N 0.05 0.00 -0.46 0.49 4.39 -0.66 0.34 114.58 118.73 2djr h GLU 12 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 2djr h GLU 12 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2djr h GLU 12 CO -0.02 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.49 2djr n TYR 13 N -3.04 1.40 -3.70 4.33 4.02 0.97 -4.86 117.16 116.28 2djr n TYR 13 Ca -0.02 -0.74 -0.10 0.00 -0.01 0.00 0.00 57.90 57.03 2djr n TYR 13 Cb 0.20 -0.34 -0.05 0.00 -0.02 0.00 0.00 39.34 39.13 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 -2.43 -0.11 -0.07 -0.72 0.40 0.12 0.65 117.98 115.81 2djr s PHE 14 Ca 0.47 -0.21 -0.03 0.00 -0.60 0.00 0.00 56.93 56.56 2djr s PHE 14 Cb 0.34 0.17 0.04 0.00 0.51 0.00 0.00 43.02 44.09 2djr s PHE 14 CO 0.15 -0.64 0.16 -3.38 0.70 0.00 0.00 175.22 172.20 2djr s HIS 15 N -3.68 -0.18 0.34 0.36 -3.43 0.17 -4.76 115.29 104.12 2djr s HIS 15 Ca 0.03 0.54 -0.29 0.00 -0.80 0.00 0.00 55.06 54.54 2djr s HIS 15 Cb 0.02 -0.12 -0.11 0.00 -1.43 0.00 0.00 32.58 30.93 2djr s HIS 15 CO -0.11 -0.20 1.51 1.28 -2.00 0.00 0.00 174.74 175.22 2djr n LEU 16 N 4.52 4.52 -4.81 5.38 4.77 -1.26 -0.09 117.00 130.03 2djr n LEU 16 Ca -0.20 1.20 -0.38 0.00 -0.03 0.00 0.00 56.01 56.59 2djr n LEU 16 Cb 0.51 -1.60 -0.06 0.00 -2.33 0.00 0.00 43.42 39.94 2djr n LEU 16 CO 0.14 0.10 0.16 0.00 -1.33 0.00 0.00 177.39 176.46 2djr s ALA 17 N -0.70 3.64 0.20 -1.18 0.00 -1.06 -4.86 121.76 117.81 2djr s ALA 17 Ca 0.57 -0.14 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 2djr s ALA 17 Cb -0.49 -2.49 -0.09 0.00 0.00 0.00 0.00 23.12 20.05 2djr s ALA 17 CO 0.58 0.40 1.30 -1.25 0.00 0.00 0.00 175.76 176.79 2djr s PRO 18 N -0.87 4.39 -0.03 0.00 0.04 -1.26 -4.29 135.00 132.97 2djr s PRO 18 Ca 0.26 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.33 2djr s PRO 18 Cb -0.17 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 2djr s PRO 18 CO 0.15 -0.24 -0.03 0.00 0.04 0.00 0.00 177.00 176.92 2djr h ALA 19 N 5.30 0.00 -5.52 8.56 0.00 -1.89 -3.47 119.26 122.24 2djr h ALA 19 Ca -0.45 -0.22 -0.35 0.00 0.00 0.00 0.00 54.91 53.88 2djr h ALA 19 Cb 1.21 0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.88 2djr h ALA 19 CO 0.77 0.09 -0.51 2.89 0.00 0.00 0.00 179.25 182.48 2djr n ARG 20 N -2.81 -1.10 0.06 0.00 1.85 -1.26 -4.60 116.66 108.80 2djr n ARG 20 Ca -0.01 0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 2djr n ARG 20 Cb 0.05 -3.24 0.00 0.00 -1.05 0.00 0.00 32.46 28.21 2djr n ARG 20 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2djr n ALA 21 N -2.74 3.00 0.00 2.89 0.00 -1.26 -5.08 120.51 117.33 2djr n ALA 21 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2djr n ALA 21 Cb 0.32 0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 2.88 0.16 3.87 0.00 0.00 -1.26 -5.14 105.19 105.70 2djr n GLY 22 Ca 0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2djr n GLY 22 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2djr s HIS 23 N -0.96 3.53 0.71 1.61 0.00 -1.26 -5.03 115.29 113.90 2djr s HIS 23 Ca 0.00 1.16 -0.16 0.00 -3.00 0.00 0.00 55.06 53.06 2djr s HIS 23 Cb 0.00 -2.57 -0.01 0.00 -4.00 0.00 0.00 32.58 26.00 2djr s HIS 23 CO 0.00 -0.38 0.91 -2.39 -1.00 0.00 0.00 174.74 171.88 2djr n HIS 24 N -2.01 0.48 -1.16 0.38 -0.00 -1.26 -4.71 115.22 106.95 2djr n HIS 24 Ca 0.04 0.39 -0.29 0.00 -0.00 0.00 0.00 57.72 57.87 2djr n HIS 24 Cb 0.54 -2.07 0.18 0.00 -0.00 0.00 0.00 29.99 28.65 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 -3.18 0.32 -1.17 -1.40 0.04 -1.26 -4.11 135.00 124.23 2djr s PRO 25 Ca 0.73 0.49 -0.08 0.00 0.04 0.00 0.00 61.00 62.18 2djr s PRO 25 Cb -0.35 -1.73 0.01 0.00 0.04 0.00 0.00 34.50 32.47 2djr s PRO 25 CO 0.51 -2.80 1.03 0.09 0.04 0.00 0.00 177.00 175.86 2djr n ASN 26 N -4.22 -5.77 0.00 6.66 3.02 -1.26 -4.96 115.26 108.72 2djr n ASN 26 Ca 0.05 -0.47 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 2djr n ASN 26 Cb 0.57 -4.43 0.00 0.00 -0.61 0.00 0.00 39.78 35.32 2djr n ASN 26 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2djr n GLN 27 N -4.40 0.00 -4.32 3.52 -0.06 -1.26 -4.95 117.38 105.91 2djr n GLN 27 Ca 0.01 0.38 -0.25 0.00 -2.00 0.00 0.00 57.00 55.14 2djr n GLN 27 Cb 0.55 -1.11 -0.08 0.00 -4.06 0.00 0.00 30.24 25.53 2djr n GLN 27 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 2djr s TYR 28 N -1.58 2.56 0.07 3.69 1.51 -1.26 -4.59 117.35 117.75 2djr s TYR 28 Ca 0.00 -0.47 0.06 0.00 -1.01 0.00 0.00 57.07 55.64 2djr s TYR 28 Cb 0.00 -1.57 -0.04 0.00 -0.11 0.00 0.00 41.96 40.24 2djr s TYR 28 CO 0.00 0.43 -0.07 0.00 -1.11 0.00 0.00 175.55 174.80 2djr s ALA 29 N -2.54 3.03 -0.31 3.71 0.00 -0.79 -2.56 121.76 122.30 2djr s ALA 29 Ca 0.36 -1.15 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 2djr s ALA 29 Cb 0.01 -1.02 0.03 0.00 0.00 0.00 0.00 23.12 22.15 2djr s ALA 29 CO 0.20 0.64 0.06 0.99 0.00 0.00 0.00 175.76 177.65 2djr s THR 30 N -1.16 3.57 -0.08 0.00 2.01 0.87 -0.16 115.64 120.70 2djr s THR 30 Ca 0.21 -1.08 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 2djr s THR 30 Cb -0.11 -2.97 -0.08 0.00 0.01 0.00 0.00 72.50 69.35 2djr s THR 30 CO 0.13 -0.07 2.06 0.00 -0.69 0.00 0.00 174.62 176.05 2djr n ARG 32 N 7.89 0.61 -0.09 0.00 1.74 0.21 -0.09 116.66 126.93 2djr n ARG 32 Ca 0.24 0.02 -0.15 0.00 -0.77 0.00 0.00 57.85 57.20 2djr n ARG 32 Cb 0.40 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.27 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 -1.14 1.84 -0.08 0.55 4.77 -1.23 -4.77 117.00 116.94 2djr n LEU 33 Ca 0.16 0.51 -0.11 0.00 -0.03 0.00 0.00 56.01 56.55 2djr n LEU 33 Cb 0.15 -0.92 -0.07 0.00 -2.33 0.00 0.00 43.42 40.25 2djr n LEU 33 CO 0.17 -0.04 -1.00 0.00 -1.33 0.00 0.00 177.39 175.19 2djr n GLY 35 N 2.76 1.74 3.93 0.00 0.00 0.88 -5.04 105.19 109.45 2djr n GLY 35 Ca -0.27 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.30 3.51 -0.08 1.61 0.52 -1.25 -4.72 118.95 118.23 2djr s ARG 36 Ca 0.00 -0.37 -0.25 0.00 -0.52 0.00 0.00 55.73 54.59 2djr s ARG 36 Cb 0.00 -2.86 -0.03 0.00 0.52 0.00 0.00 34.95 32.58 2djr s ARG 36 CO 0.00 0.42 0.79 -0.65 0.02 0.00 0.00 175.30 175.88 2djr s GLN 37 N -3.28 4.42 -0.19 3.54 1.11 -1.26 -0.65 119.66 123.35 2djr s GLN 37 Ca 0.38 1.01 -0.03 0.00 0.01 0.00 0.00 55.36 56.74 2djr s GLN 37 Cb -0.11 -3.49 0.06 0.00 -1.01 0.00 0.00 33.01 28.46 2djr s GLN 37 CO 0.29 -0.07 0.03 0.08 0.01 0.00 0.00 175.29 175.63 2djr s VAL 38 N 1.22 0.54 0.48 1.09 1.01 0.77 -4.94 120.40 120.57 2djr s VAL 38 Ca 0.40 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 2djr s VAL 38 Cb -0.18 -1.04 -0.08 0.00 0.00 0.00 0.00 36.38 35.08 2djr s VAL 38 CO 0.18 -0.20 0.92 -0.55 0.00 0.00 0.00 175.10 175.45 2djr s SER 39 N 1.85 6.61 0.25 3.32 0.15 -1.26 -1.88 113.70 122.74 2djr s SER 39 Ca -0.01 1.45 -0.03 0.00 0.70 0.00 0.00 55.95 58.06 2djr s SER 39 Cb -0.17 -2.46 0.48 0.00 -1.71 0.00 0.00 66.02 62.17 2djr s SER 39 CO -0.08 -0.52 1.76 0.03 1.20 0.00 0.00 173.24 175.63 2djr h ARG 40 N 1.07 0.57 0.00 5.44 2.47 -1.95 -3.46 114.38 118.51 2djr h ARG 40 Ca -0.47 -0.03 0.09 0.00 -1.26 0.00 0.00 59.98 58.30 2djr h ARG 40 Cb 1.18 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 29.36 2djr h ARG 40 CO 0.62 0.37 -0.12 0.41 0.56 0.00 0.00 179.97 181.82 2djr n GLY 41 N -1.32 -0.60 3.77 0.04 0.00 -1.26 -4.46 105.19 101.36 2djr n GLY 41 Ca 0.15 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 2djr n GLY 41 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2djr s PRO 42 N -0.79 2.56 -1.02 1.61 0.04 -1.26 -4.19 135.00 131.95 2djr s PRO 42 Ca 0.00 1.30 -0.08 0.00 0.04 0.00 0.00 61.00 62.25 2djr s PRO 42 Cb 0.00 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 2djr s PRO 42 CO 0.00 -1.42 0.86 0.41 0.04 0.00 0.00 177.00 176.89 2djr n GLY 43 N -0.81 -1.15 0.00 0.56 0.00 -1.26 -4.84 105.19 97.69 2djr n GLY 43 Ca 0.10 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 -3.22 0.00 0.06 1.61 3.14 -1.26 -4.02 118.33 114.65 2djr n VAL 44 Ca -0.07 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.12 2djr n VAL 44 Cb 0.60 -0.59 -0.14 0.00 -1.06 0.00 0.00 33.84 32.65 2djr n VAL 44 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2djr h ASN 45 N 0.00 0.48 -0.75 6.55 7.08 -1.90 -3.30 115.58 123.73 2djr h ASN 45 Ca 0.00 -0.70 0.22 0.00 -3.08 0.00 0.00 56.30 52.74 2djr h ASN 45 Cb 0.91 -0.16 -0.14 0.00 -2.08 0.00 0.00 38.32 36.86 2djr h ASN 45 CO 0.00 1.59 0.07 0.55 -2.08 0.00 0.00 177.43 177.55 2djr n VAL 46 N -3.50 -0.32 0.00 6.14 3.14 -1.26 -4.73 118.33 117.80 2djr n VAL 46 Ca -0.20 1.64 0.00 0.00 -2.96 0.00 0.00 64.34 62.82 2djr n VAL 46 Cb 1.06 -2.43 0.00 0.00 -1.06 0.00 0.00 33.84 31.41 2djr n VAL 46 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2djr n GLY 47 N -1.35 -0.41 3.54 7.55 0.00 -1.26 -5.00 105.19 108.27 2djr n GLY 47 Ca 0.19 0.26 -0.41 0.00 0.00 0.00 0.00 46.02 46.06 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 4.00 -0.02 2.61 2.01 -1.26 -3.63 115.64 119.35 2djr s THR 48 Ca 0.00 -0.74 -0.38 0.00 0.31 0.00 0.00 61.69 60.88 2djr s THR 48 Cb 0.00 -5.01 -0.17 0.00 0.01 0.00 0.00 72.50 67.34 2djr s THR 48 CO 0.00 -1.87 1.44 0.41 -0.69 0.00 0.00 174.62 173.90 2djr n THR 49 N 6.66 0.08 -0.33 -0.82 -1.04 -1.24 -4.45 114.28 113.14 2djr n THR 49 Ca 0.29 -0.01 0.29 0.00 -2.04 0.00 0.00 64.05 62.57 2djr n THR 49 Cb 0.51 -0.89 0.50 0.00 -1.82 0.00 0.00 70.33 68.63 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 3.24 0.98 -0.11 2.41 0.00 -1.26 0.19 120.51 125.96 2djr n ALA 50 Ca 0.21 0.70 -0.06 0.00 0.00 0.00 0.00 53.44 54.29 2djr n ALA 50 Cb 0.17 -0.81 0.02 0.00 0.00 0.00 0.00 19.45 18.83 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 0.13 -0.77 0.00 3.38 -1.88 -2.22 115.31 113.94 2djr h LEU 51 Ca 0.67 0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.86 2djr h LEU 51 Cb 2.06 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 42.72 2djr h LEU 51 CO -0.43 0.11 0.18 -0.50 0.09 0.00 0.00 178.44 177.89 2djr h TRP 52 N 0.27 0.28 -0.80 1.13 4.06 0.17 0.41 115.95 121.47 2djr h TRP 52 Ca 0.17 0.04 0.15 0.00 2.06 0.00 0.00 58.89 61.31 2djr h TRP 52 Cb 0.15 -0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.25 2djr h TRP 52 CO -0.15 -0.11 0.53 0.87 -3.56 0.00 0.00 178.44 176.02 2djr h LYS 53 N 0.26 0.50 0.13 0.49 1.57 -1.42 0.20 116.57 118.30 2djr h LYS 53 Ca 0.44 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.97 2djr h LYS 53 Cb 0.79 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 33.01 2djr h LYS 53 CO -0.55 0.33 -0.93 1.25 -0.57 0.00 0.00 179.45 178.98 2djr h HIS 54 N 0.52 0.69 -0.23 -1.35 2.76 -0.24 -2.38 115.15 114.91 2djr h HIS 54 Ca 0.40 -0.47 -0.00 0.00 -2.20 0.00 0.00 60.37 58.10 2djr h HIS 54 Cb 0.80 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.70 2djr h HIS 54 CO -0.00 1.34 0.14 -0.07 -1.30 0.00 0.00 177.93 178.04 2djr h LEU 55 N -0.16 0.28 0.00 0.26 3.38 -0.07 -1.36 115.31 117.64 2djr h LEU 55 Ca -0.15 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2djr h LEU 55 Cb 1.70 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.38 2djr h LEU 55 CO 0.18 0.24 0.00 0.29 0.09 0.00 0.00 178.44 179.24 2djr n LYS 56 N -4.90 0.05 0.08 1.13 5.02 0.60 0.21 118.16 120.35 2djr n LYS 56 Ca -0.03 0.08 -0.23 0.00 -2.02 0.00 0.00 58.31 56.11 2djr n LYS 56 Cb 0.05 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.41 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 0.63 0.00 4.39 0.87 -0.75 -3.36 113.55 115.33 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 0.40 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2djr h SER 57 CO 0.00 1.72 -0.71 1.15 -0.53 0.00 0.00 176.83 178.45 2djr n MET 58 N -3.72 1.68 -0.74 2.24 0.00 -0.61 -4.72 117.12 111.25 2djr n MET 58 Ca -0.22 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.41 2djr n MET 58 Cb 1.04 -0.86 0.19 0.00 0.00 0.00 0.00 33.22 33.60 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 -1.84 1.80 -0.18 3.17 8.25 0.56 -4.45 115.22 122.53 2djr n HIS 59 Ca 0.00 -1.00 0.12 0.00 -0.26 0.00 0.00 57.72 56.58 2djr n HIS 59 Cb 0.36 -0.57 0.44 0.00 1.12 0.00 0.00 29.99 31.34 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 1.62 0.53 -0.08 -0.41 2.43 -0.51 -0.93 114.38 117.04 2djr h ARG 60 Ca 0.24 -0.03 -0.25 0.00 -0.81 0.00 0.00 59.98 59.13 2djr h ARG 60 Cb 1.94 -0.12 0.02 0.00 -0.42 0.00 0.00 29.97 31.38 2djr h ARG 60 CO 0.57 0.35 -0.91 0.93 -1.51 0.00 0.00 179.97 179.40 2djr h GLU 61 N 0.55 0.75 0.08 0.20 5.08 -1.85 -3.00 114.58 116.39 2djr h GLU 61 Ca 0.36 -0.70 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2djr h GLU 61 Cb 0.64 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2djr h GLU 61 CO -0.13 1.29 -0.04 1.49 -1.00 0.00 0.00 179.01 180.62 2djr h GLU 62 N 0.47 -0.11 0.45 2.33 4.57 -1.56 -0.17 114.58 120.57 2djr h GLU 62 Ca -0.09 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 2djr h GLU 62 Cb 1.55 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.14 2djr h GLU 62 CO 0.18 -0.04 -0.49 -0.07 -1.18 0.00 0.00 179.01 177.41 2djr h LEU 63 N -0.15 -1.37 -0.84 1.64 3.38 -1.31 -1.50 115.31 115.17 2djr h LEU 63 Ca -0.01 0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.21 2djr h LEU 63 Cb 0.12 0.46 -0.09 0.00 0.09 0.00 0.00 40.66 41.23 2djr h LEU 63 CO 0.02 -0.64 0.43 -0.33 0.09 0.00 0.00 178.44 178.02 2djr h GLU 64 N -0.95 0.61 -0.80 1.13 5.08 -1.52 -0.54 114.58 117.59 2djr h GLU 64 Ca -0.06 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.36 2djr h GLU 64 Cb 0.83 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.87 2djr h GLU 64 CO -0.09 0.41 0.45 -0.22 -1.00 0.00 0.00 179.01 178.56 2djr h LYS 65 N 0.63 0.74 -1.50 2.33 3.64 -0.53 -0.88 116.57 121.00 2djr h LYS 65 Ca 0.45 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.62 2djr h LYS 65 Cb 0.61 -0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 32.19 2djr h LYS 65 CO -0.35 0.49 0.21 0.43 -2.27 0.00 0.00 179.45 177.96 2djr n SER 66 N -4.76 5.08 -3.52 4.20 7.64 -0.22 -4.87 113.62 117.17 2djr n SER 66 Ca 0.13 -2.66 -0.28 0.00 1.01 0.00 0.00 58.87 57.07 2djr n SER 66 Cb 0.27 -0.93 0.01 0.00 -1.01 0.00 0.00 64.21 62.56 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 0.62 -0.64 0.91 0.23 0.00 -0.33 -4.90 105.19 101.07 2djr n GLY 67 Ca 0.16 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.94 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 -1.53 0.00 0.00 1.61 8.25 -1.17 -5.02 115.22 117.36 2djr n HIS 68 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 2djr n HIS 68 Cb 0.63 0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.87 2djr n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2djr n GLY 69 N 2.50 0.67 3.73 -1.41 0.00 -1.26 -4.23 105.19 105.19 2djr n GLY 69 Ca 0.00 0.76 -0.41 0.00 0.00 0.00 0.00 46.02 46.37 2djr n GLY 69 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2djr s GLN 70 N 0.00 4.68 -0.05 1.61 0.00 -1.26 -4.96 119.66 119.69 2djr s GLN 70 Ca 0.00 1.48 -0.06 0.00 -0.00 0.00 0.00 55.36 56.77 2djr s GLN 70 Cb 0.00 -3.37 -0.29 0.00 0.00 0.00 0.00 33.01 29.35 2djr s GLN 70 CO 0.00 0.19 0.66 0.66 0.00 0.00 0.00 175.29 176.80 2djr h SER 71 N 5.58 0.48 -5.00 12.60 4.64 -1.99 -3.48 113.55 126.39 2djr h SER 71 Ca -0.43 -0.77 -0.16 0.00 -0.47 0.00 0.00 61.79 59.96 2djr h SER 71 Cb 1.21 -0.16 -0.20 0.00 -0.31 0.00 0.00 62.40 62.94 2djr h SER 71 CO 0.72 1.66 -0.62 -0.83 -0.87 0.00 0.00 176.83 176.89 2djr s GLY 72 N -5.16 0.18 0.00 -0.77 0.00 -1.26 -4.94 107.32 95.38 2djr s GLY 72 Ca -0.15 -0.47 0.15 0.00 0.00 0.00 0.00 44.72 44.25 2djr s GLY 72 CO 0.84 -0.57 1.40 -1.55 0.00 0.00 0.00 173.10 173.22 2djr n PRO 73 N 1.45 0.23 -2.50 2.90 -0.04 -1.26 -4.74 135.00 131.04 2djr n PRO 73 Ca -0.23 0.14 -0.42 0.00 -0.04 0.00 0.00 63.50 62.94 2djr n PRO 73 Cb 0.56 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 2djr n PRO 73 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2djr s SER 74 N -2.53 7.11 0.09 3.54 0.01 -1.26 -4.94 113.70 115.72 2djr s SER 74 Ca 0.15 1.83 -0.20 0.00 1.31 0.00 0.00 55.95 59.04 2djr s SER 74 Cb 0.10 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.68 2djr s SER 74 CO 0.22 -0.50 1.63 0.28 0.41 0.00 0.00 173.24 175.28 2djr h SER 75 N 7.17 0.27 0.00 2.44 0.02 -2.07 -3.51 113.55 117.88 2djr h SER 75 Ca -0.37 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 2djr h SER 75 Cb 1.18 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2djr h SER 75 CO 0.84 0.37 0.00 0.61 -1.14 0.00 0.00 176.83 177.51