#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 0.29 -0.07 1.61 0.01 -1.26 -5.02 113.70 109.26 2djr s SER 2 Ca 0.00 0.88 -0.09 0.00 1.31 0.00 0.00 55.95 58.06 2djr s SER 2 Cb 0.00 -1.29 -0.05 0.00 0.21 0.00 0.00 66.02 64.90 2djr s SER 2 CO 0.00 -4.54 0.22 -0.44 0.41 0.00 0.00 173.24 168.90 2djr s SER 3 N -3.38 6.51 0.00 2.44 0.01 -1.26 -5.00 113.70 113.03 2djr s SER 3 Ca 0.69 0.60 0.00 0.00 1.31 0.00 0.00 55.95 58.56 2djr s SER 3 Cb -0.14 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2djr s SER 3 CO 0.58 0.37 0.00 0.61 0.41 0.00 0.00 173.24 175.21 2djr n GLY 4 N 1.80 -0.08 3.52 3.44 0.00 -1.26 -5.07 105.19 107.54 2djr n GLY 4 Ca -0.17 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.26 2djr n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2djr n SER 5 N -2.27 0.20 -2.30 1.61 3.41 -1.26 -4.85 113.62 108.16 2djr n SER 5 Ca 0.00 1.16 -0.32 0.00 -0.26 0.00 0.00 58.87 59.45 2djr n SER 5 Cb 0.00 -0.94 0.05 0.00 -0.26 0.00 0.00 64.21 63.06 2djr n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2djr n SER 6 N 1.71 6.68 -2.68 4.04 7.64 -1.26 -4.58 113.62 125.16 2djr n SER 6 Ca 0.20 -3.78 -0.05 0.00 1.01 0.00 0.00 58.87 56.25 2djr n SER 6 Cb 0.08 -0.76 0.07 0.00 -1.01 0.00 0.00 64.21 62.59 2djr n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djr n GLY 7 N -0.80 -0.15 2.09 0.23 0.00 -1.26 -5.00 105.19 100.30 2djr n GLY 7 Ca 0.55 0.19 -0.25 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.11 6.92 -0.01 1.61 3.41 -1.26 -4.33 113.62 119.86 2djr n SER 8 Ca -0.09 -3.39 -0.22 0.00 -0.26 0.00 0.00 58.87 54.91 2djr n SER 8 Cb 0.74 -1.01 -0.14 0.00 -0.26 0.00 0.00 64.21 63.54 2djr n SER 8 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2djr h GLU 9 N 1.68 0.23 -0.74 4.33 4.81 -1.99 -3.35 114.58 119.55 2djr h GLU 9 Ca 0.44 -0.39 0.21 0.00 -0.13 0.00 0.00 59.36 59.49 2djr h GLU 9 Cb 0.92 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 2djr h GLU 9 CO 1.13 1.19 0.77 0.00 -0.73 0.00 0.00 179.01 181.37 2djr h ALA 10 N -0.03 2.55 -0.83 2.92 0.00 -1.99 0.24 119.26 122.12 2djr h ALA 10 Ca -0.40 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 54.69 2djr h ALA 10 Cb 1.90 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.70 2djr h ALA 10 CO 0.04 -1.15 0.57 -1.49 0.00 0.00 0.00 179.25 177.22 2djr h TRP 11 N 0.00 0.31 -0.00 0.00 4.06 -1.89 0.31 115.95 118.74 2djr h TRP 11 Ca 0.35 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.31 2djr h TRP 11 Cb 1.89 -0.09 -0.00 0.00 -1.00 0.00 0.00 29.16 29.96 2djr h TRP 11 CO 0.00 0.09 0.18 0.93 -3.56 0.00 0.00 178.44 176.08 2djr h GLU 12 N 0.24 0.00 -0.46 0.49 5.08 -0.79 0.44 114.58 119.58 2djr h GLU 12 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 2djr h GLU 12 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2djr h GLU 12 CO -0.10 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.57 2djr n TYR 13 N -2.98 1.49 -3.74 4.33 4.02 0.11 -4.84 117.16 115.55 2djr n TYR 13 Ca -0.02 -0.75 -0.14 0.00 -0.01 0.00 0.00 57.90 56.98 2djr n TYR 13 Cb 0.24 -0.37 -0.09 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 -2.53 -0.30 -0.08 -0.72 0.40 0.15 0.39 117.98 115.30 2djr s PHE 14 Ca 0.48 0.59 -0.00 0.00 -0.60 0.00 0.00 56.93 57.40 2djr s PHE 14 Cb 0.36 0.14 0.03 0.00 0.51 0.00 0.00 43.02 44.05 2djr s PHE 14 CO 0.15 -0.35 -0.03 -3.38 0.70 0.00 0.00 175.22 172.31 2djr s HIS 15 N -0.80 0.91 0.40 0.36 -3.43 0.14 -4.81 115.29 108.05 2djr s HIS 15 Ca -0.09 -0.33 -0.26 0.00 -0.80 0.00 0.00 55.06 53.59 2djr s HIS 15 Cb -0.04 -0.88 -0.09 0.00 -1.43 0.00 0.00 32.58 30.14 2djr s HIS 15 CO 0.03 -0.34 1.27 -0.51 -2.00 0.00 0.00 174.74 173.19 2djr s LEU 16 N 1.63 4.21 0.16 5.38 1.43 -1.26 -0.77 118.68 129.46 2djr s LEU 16 Ca 0.01 2.57 0.03 0.00 -1.03 0.00 0.00 54.13 55.71 2djr s LEU 16 Cb -0.13 -3.93 -0.03 0.00 0.03 0.00 0.00 46.19 42.13 2djr s LEU 16 CO -0.04 -0.80 0.28 0.00 0.23 0.00 0.00 176.35 176.02 2djr s ALA 17 N -1.29 3.94 0.23 4.21 0.00 -1.24 -4.91 121.76 122.70 2djr s ALA 17 Ca 0.57 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.16 2djr s ALA 17 Cb -0.36 -1.75 -0.09 0.00 0.00 0.00 0.00 23.12 20.92 2djr s ALA 17 CO 0.46 0.50 1.28 -1.25 0.00 0.00 0.00 175.76 176.75 2djr s PRO 18 N -3.32 4.41 -0.26 0.00 0.04 -1.26 -4.09 135.00 130.51 2djr s PRO 18 Ca 0.34 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 63.28 2djr s PRO 18 Cb -0.11 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 2djr s PRO 18 CO 0.28 -0.19 0.37 0.00 0.04 0.00 0.00 177.00 177.51 2djr s ALA 19 N -0.23 3.57 0.00 8.56 0.00 -1.26 -4.88 121.76 127.52 2djr s ALA 19 Ca 0.54 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.72 2djr s ALA 19 Cb -0.36 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2djr s ALA 19 CO 0.41 -0.60 0.00 2.89 0.00 0.00 0.00 175.76 178.46 2djr n ARG 20 N 5.20 1.94 -0.28 0.00 0.00 -1.26 -4.79 116.66 117.47 2djr n ARG 20 Ca -0.08 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 57.85 2djr n ARG 20 Cb 0.51 -0.82 0.22 0.00 -0.00 0.00 0.00 32.46 32.36 2djr n ARG 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2djr h ALA 21 N 0.00 1.03 0.00 2.89 0.00 -2.01 -3.44 119.26 117.73 2djr h ALA 21 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2djr h ALA 21 Cb 0.65 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2djr h ALA 21 CO 0.00 -0.43 0.00 0.41 0.00 0.00 0.00 179.25 179.23 2djr n GLY 22 N -1.40 0.64 3.69 0.00 0.00 -1.26 -5.16 105.19 101.70 2djr n GLY 22 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.64 2.60 0.12 1.61 3.76 -1.26 -5.07 115.29 116.41 2djr s HIS 23 Ca 0.00 -0.50 -0.34 0.00 -0.15 0.00 0.00 55.06 54.07 2djr s HIS 23 Cb 0.00 -1.72 -0.17 0.00 1.11 0.00 0.00 32.58 31.79 2djr s HIS 23 CO 0.00 0.33 0.96 1.58 -0.85 0.00 0.00 174.74 176.76 2djr n HIS 24 N -1.10 0.60 -2.26 1.40 -0.00 -1.26 -4.84 115.22 107.75 2djr n HIS 24 Ca -0.03 0.88 -0.35 0.00 -0.00 0.00 0.00 57.72 58.22 2djr n HIS 24 Cb 0.63 -2.13 -0.00 0.00 -0.00 0.00 0.00 29.99 28.49 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 -0.43 3.45 -1.27 1.57 0.04 -1.26 -3.68 135.00 133.42 2djr s PRO 25 Ca 0.76 1.65 -0.02 0.00 0.04 0.00 0.00 61.00 63.43 2djr s PRO 25 Cb -1.01 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 31.44 2djr s PRO 25 CO 0.55 -0.78 0.98 0.09 0.04 0.00 0.00 177.00 177.88 2djr n ASN 26 N -1.11 -2.81 -0.01 6.66 3.02 -1.26 -4.93 115.26 114.81 2djr n ASN 26 Ca 0.11 -0.65 -0.20 0.00 -0.03 0.00 0.00 54.58 53.80 2djr n ASN 26 Cb 0.50 -4.84 -0.13 0.00 -0.61 0.00 0.00 39.78 34.70 2djr n ASN 26 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 2djr h GLN 27 N -2.05 0.18 -6.21 3.52 3.07 -1.84 -3.47 115.11 108.29 2djr h GLN 27 Ca -0.59 -0.30 -0.56 0.00 0.09 0.00 0.00 58.65 57.29 2djr h GLN 27 Cb 1.35 0.11 -0.07 0.00 0.08 0.00 0.00 27.48 28.95 2djr h GLN 27 CO 0.53 1.14 -0.57 0.71 0.09 0.00 0.00 178.83 180.73 2djr s TYR 28 N -2.41 3.08 -0.04 0.06 2.02 -1.26 -4.16 117.35 114.64 2djr s TYR 28 Ca -0.20 -0.06 0.06 0.00 -0.37 0.00 0.00 57.07 56.50 2djr s TYR 28 Cb 0.03 -1.46 -0.01 0.00 -0.40 0.00 0.00 41.96 40.12 2djr s TYR 28 CO 0.74 0.52 -0.23 0.00 -1.57 0.00 0.00 175.55 175.01 2djr s ALA 29 N -1.84 1.94 -0.40 3.71 0.00 -1.03 -3.62 121.76 120.52 2djr s ALA 29 Ca 0.31 -0.95 -0.13 0.00 0.00 0.00 0.00 51.96 51.18 2djr s ALA 29 Cb -0.09 -0.57 0.03 0.00 0.00 0.00 0.00 23.12 22.48 2djr s ALA 29 CO 0.23 0.40 0.27 0.99 0.00 0.00 0.00 175.76 177.65 2djr s THR 30 N -0.25 4.99 0.00 0.00 2.01 0.05 0.02 115.64 122.45 2djr s THR 30 Ca 0.01 -0.76 -0.32 0.00 0.31 0.00 0.00 61.69 60.93 2djr s THR 30 Cb -0.12 -3.79 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 2djr s THR 30 CO 0.02 -0.29 1.93 0.00 -0.69 0.00 0.00 174.62 175.58 2djr n ARG 32 N 7.05 0.68 -0.10 0.00 1.74 0.16 -0.33 116.66 125.86 2djr n ARG 32 Ca 0.21 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.10 2djr n ARG 32 Cb 0.36 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.21 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 0.00 0.00 0.00 0.55 3.38 -1.89 -3.44 115.31 113.91 2djr h LEU 33 Ca 0.00 -0.43 -0.15 0.00 0.09 0.00 0.00 57.88 57.39 2djr h LEU 33 Cb 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2djr h LEU 33 CO 0.00 1.36 -1.56 0.00 0.09 0.00 0.00 178.44 178.34 2djr n GLY 35 N 2.98 1.96 3.78 0.00 0.00 0.54 -5.03 105.19 109.43 2djr n GLY 35 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.55 3.22 0.08 1.61 0.52 -1.26 -4.73 118.95 117.85 2djr s ARG 36 Ca 0.00 -0.26 -0.31 0.00 -0.52 0.00 0.00 55.73 54.64 2djr s ARG 36 Cb 0.00 -3.00 -0.06 0.00 0.52 0.00 0.00 34.95 32.41 2djr s ARG 36 CO 0.00 0.74 1.22 -0.65 0.02 0.00 0.00 175.30 176.63 2djr s GLN 37 N -0.96 4.43 -0.20 3.54 1.11 -1.26 -1.76 119.66 124.55 2djr s GLN 37 Ca 0.14 1.82 -0.02 0.00 0.01 0.00 0.00 55.36 57.31 2djr s GLN 37 Cb -0.12 -3.32 0.06 0.00 -1.01 0.00 0.00 33.01 28.62 2djr s GLN 37 CO 0.03 -0.25 0.01 0.08 0.01 0.00 0.00 175.29 175.17 2djr s VAL 38 N 0.92 0.78 0.50 1.09 1.01 0.10 -4.93 120.40 119.87 2djr s VAL 38 Ca 0.59 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 2djr s VAL 38 Cb -0.31 -1.23 -0.08 0.00 0.00 0.00 0.00 36.38 34.77 2djr s VAL 38 CO 0.30 -0.18 1.00 -0.94 0.00 0.00 0.00 175.10 175.28 2djr s SER 39 N 1.74 6.52 -0.16 3.32 1.04 -1.26 -2.46 113.70 122.45 2djr s SER 39 Ca -0.02 1.69 -0.17 0.00 0.48 0.00 0.00 55.95 57.93 2djr s SER 39 Cb -0.18 -2.53 -0.23 0.00 0.10 0.00 0.00 66.02 63.19 2djr s SER 39 CO -0.07 -0.65 0.36 0.03 0.98 0.00 0.00 173.24 173.88 2djr h ARG 40 N 1.16 0.13 -1.24 4.02 3.08 -1.97 -3.47 114.38 116.09 2djr h ARG 40 Ca -0.48 -0.22 0.13 0.00 0.07 0.00 0.00 59.98 59.48 2djr h ARG 40 Cb 1.19 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.26 2djr h ARG 40 CO 0.60 1.10 -0.40 0.41 -1.07 0.00 0.00 179.97 180.62 2djr n GLY 41 N 1.66 -2.59 3.58 0.04 0.00 -1.26 -4.44 105.19 102.18 2djr n GLY 41 Ca -0.30 -1.33 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.02 2.50 0.00 1.61 0.04 -1.26 -3.54 135.00 131.33 2djr s PRO 42 Ca 0.00 -0.98 0.00 0.00 0.04 0.00 0.00 61.00 60.06 2djr s PRO 42 Cb 0.00 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.34 2djr s PRO 42 CO 0.00 -3.86 0.00 0.41 0.04 0.00 0.00 177.00 173.59 2djr n GLY 43 N 6.03 0.00 1.63 0.56 0.00 -1.26 -5.05 105.19 107.10 2djr n GLY 43 Ca 0.44 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 2.79 -0.02 1.61 3.14 -1.23 -4.49 118.33 120.12 2djr n VAL 44 Ca 0.00 -3.03 -0.02 0.00 -2.96 0.00 0.00 64.34 58.33 2djr n VAL 44 Cb 0.00 -0.64 -0.03 0.00 -1.06 0.00 0.00 33.84 32.11 2djr n VAL 44 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2djr n ASN 45 N -1.01 3.90 -0.23 6.55 4.05 -1.26 -4.69 115.26 122.57 2djr n ASN 45 Ca 0.43 -0.01 0.15 0.00 0.45 0.00 0.00 54.58 55.60 2djr n ASN 45 Cb 1.02 0.29 0.29 0.00 1.23 0.00 0.00 39.78 42.61 2djr n ASN 45 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 2djr n VAL 46 N -2.36 -0.29 0.00 3.44 0.31 -1.26 -4.64 118.33 113.54 2djr n VAL 46 Ca -0.07 1.47 0.00 0.00 -0.01 0.00 0.00 64.34 65.73 2djr n VAL 46 Cb 0.60 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 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 -1.28 -0.48 3.56 2.92 0.00 -1.26 -5.00 105.19 103.65 2djr n GLY 47 Ca 0.20 0.27 -0.13 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 0.00 -1.67 2.61 -1.04 -1.26 -4.78 114.28 108.14 2djr n THR 48 Ca 0.00 -0.39 -0.47 0.00 -2.04 0.00 0.00 64.05 61.14 2djr n THR 48 Cb 0.00 -1.93 -0.04 0.00 -1.82 0.00 0.00 70.33 66.54 2djr n THR 48 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2djr n THR 49 N 8.76 0.19 -0.28 12.58 -1.04 -1.26 -4.79 114.28 128.44 2djr n THR 49 Ca 0.46 -0.03 0.26 0.00 -2.04 0.00 0.00 64.05 62.70 2djr n THR 49 Cb 0.43 -1.61 0.47 0.00 -1.82 0.00 0.00 70.33 67.80 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 4.45 0.87 0.07 2.41 0.00 -1.26 0.12 120.51 127.18 2djr n ALA 50 Ca 0.19 0.72 -0.12 0.00 0.00 0.00 0.00 53.44 54.23 2djr n ALA 50 Cb 0.28 -0.77 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.49 0.00 3.38 -1.90 -2.63 115.31 113.06 2djr h LEU 51 Ca 0.64 0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.79 2djr h LEU 51 Cb 1.86 0.25 -0.10 0.00 0.09 0.00 0.00 40.66 42.75 2djr h LEU 51 CO -0.49 -0.29 -0.24 -0.50 0.09 0.00 0.00 178.44 177.02 2djr h TRP 52 N -0.36 -0.61 -0.94 1.13 4.06 0.61 0.12 115.95 119.95 2djr h TRP 52 Ca 0.05 0.05 0.26 0.00 2.06 0.00 0.00 58.89 61.31 2djr h TRP 52 Cb 0.42 0.34 -0.14 0.00 -1.00 0.00 0.00 29.16 28.79 2djr h TRP 52 CO -0.24 -0.32 0.44 0.87 -3.56 0.00 0.00 178.44 175.63 2djr h LYS 53 N -0.13 0.35 -0.14 0.49 1.57 -1.41 0.32 116.57 117.62 2djr h LYS 53 Ca 0.22 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.86 2djr h LYS 53 Cb 0.48 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2djr h LYS 53 CO -0.57 0.23 -0.38 1.25 -0.57 0.00 0.00 179.45 179.42 2djr h HIS 54 N 0.36 0.65 -0.28 -1.35 2.76 -0.66 -1.13 115.15 115.50 2djr h HIS 54 Ca 0.62 -0.26 0.01 0.00 -2.20 0.00 0.00 60.37 58.55 2djr h HIS 54 Cb 1.27 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 30.09 2djr h HIS 54 CO -0.11 1.00 0.15 -0.07 -1.30 0.00 0.00 177.93 177.60 2djr h LEU 55 N 0.12 0.23 0.00 0.26 3.38 0.97 -0.97 115.31 119.31 2djr h LEU 55 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2djr h LEU 55 Cb 0.99 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2djr h LEU 55 CO 0.08 0.17 0.00 0.29 0.09 0.00 0.00 178.44 179.08 2djr n LYS 56 N -4.95 0.03 0.07 1.13 5.02 0.87 0.16 118.16 120.50 2djr n LYS 56 Ca -0.01 0.06 -0.22 0.00 -2.02 0.00 0.00 58.31 56.11 2djr n LYS 56 Cb 0.06 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.42 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 0.58 0.00 4.39 0.87 0.05 -3.36 113.55 116.08 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 0.42 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2djr h SER 57 CO 0.00 1.62 -0.76 1.15 -0.53 0.00 0.00 176.83 178.30 2djr n MET 58 N -3.86 1.40 -0.60 2.24 0.00 -0.55 -4.71 117.12 111.03 2djr n MET 58 Ca -0.20 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.49 2djr n MET 58 Cb 0.97 -0.88 0.20 0.00 0.00 0.00 0.00 33.22 33.51 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 -1.98 1.44 -0.31 3.17 8.25 0.43 -4.44 115.22 121.78 2djr n HIS 59 Ca 0.00 -0.70 0.15 0.00 -0.26 0.00 0.00 57.72 56.92 2djr n HIS 59 Cb 0.38 -0.45 0.40 0.00 1.12 0.00 0.00 29.99 31.45 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 1.88 0.60 -0.36 -0.41 2.43 -0.24 0.50 114.38 118.78 2djr h ARG 60 Ca 0.11 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.08 2djr h ARG 60 Cb 1.62 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 31.03 2djr h ARG 60 CO 0.41 0.40 -0.44 0.93 -1.51 0.00 0.00 179.97 179.76 2djr h GLU 61 N 0.62 0.93 -0.01 0.20 5.08 -1.85 -2.73 114.58 116.82 2djr h GLU 61 Ca 0.53 -0.52 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2djr h GLU 61 Cb 1.00 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 2djr h GLU 61 CO -0.28 1.17 0.00 1.49 -1.00 0.00 0.00 179.01 180.39 2djr h GLU 62 N 0.74 0.01 0.09 2.33 4.57 -1.29 -2.13 114.58 118.90 2djr h GLU 62 Ca 0.05 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 2djr h GLU 62 Cb 1.04 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.59 2djr h GLU 62 CO 0.10 0.10 -0.24 -0.07 -1.18 0.00 0.00 179.01 177.73 2djr h LEU 63 N -0.09 -0.67 -0.55 1.64 3.38 -1.22 -2.46 115.31 115.33 2djr h LEU 63 Ca 0.00 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.17 2djr h LEU 63 Cb 0.10 0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 2djr h LEU 63 CO -0.00 -0.32 -0.01 -0.33 0.09 0.00 0.00 178.44 177.87 2djr h GLU 64 N -0.42 0.10 -0.67 1.13 5.08 -1.43 0.32 114.58 118.70 2djr h GLU 64 Ca 0.04 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.53 2djr h GLU 64 Cb 0.46 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.58 2djr h GLU 64 CO -0.15 0.07 0.08 -0.22 -1.00 0.00 0.00 179.01 177.79 2djr h LYS 65 N 0.11 0.18 -1.22 2.33 3.64 -0.93 0.29 116.57 120.98 2djr h LYS 65 Ca 0.28 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.52 2djr h LYS 65 Cb 0.44 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 2djr h LYS 65 CO -0.48 0.12 0.17 0.43 -2.27 0.00 0.00 179.45 177.42 2djr n SER 66 N -5.22 3.94 -4.19 4.20 7.64 -0.37 -4.82 113.62 114.81 2djr n SER 66 Ca 0.11 -2.48 -0.32 0.00 1.01 0.00 0.00 58.87 57.19 2djr n SER 66 Cb 0.40 -0.72 -0.05 0.00 -1.01 0.00 0.00 64.21 62.83 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 0.34 -0.29 0.68 0.23 0.00 0.10 -4.85 105.19 101.40 2djr n GLY 67 Ca 0.14 0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.40 0.00 0.00 1.61 8.25 -0.04 -4.95 115.22 115.69 2djr n HIS 68 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 2djr n HIS 68 Cb 0.60 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.59 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 2.76 1.78 2.18 -1.41 0.00 -1.17 -0.06 105.19 109.28 2djr n GLY 69 Ca -0.03 0.54 -0.23 0.00 0.00 0.00 0.00 46.02 46.30 2djr n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2djr n GLN 70 N 0.79 2.14 -1.38 1.61 3.00 -1.26 -4.84 117.38 117.43 2djr n GLN 70 Ca 0.00 -2.08 -0.43 0.00 -0.01 0.00 0.00 57.00 54.49 2djr n GLN 70 Cb 0.00 -1.89 -0.14 0.00 0.00 0.00 0.00 30.24 28.21 2djr n GLN 70 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2djr n SER 71 N 0.39 0.37 0.00 1.08 7.64 0.92 -4.44 113.62 119.58 2djr n SER 71 Ca 0.41 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.56 2djr n SER 71 Cb 0.57 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 2djr n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djr n GLY 72 N 6.38 0.83 3.70 0.23 0.00 -1.26 -5.09 105.19 109.98 2djr n GLY 72 Ca 0.61 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.00 0.82 0.60 1.61 0.04 -1.26 -4.97 135.00 129.84 2djr s PRO 73 Ca 0.00 0.66 -0.18 0.00 0.04 0.00 0.00 61.00 61.52 2djr s PRO 73 Cb 0.00 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.72 2djr s PRO 73 CO 0.00 -2.50 0.90 0.43 0.04 0.00 0.00 177.00 175.87 2djr n SER 74 N -4.04 0.49 -4.64 6.66 7.64 -1.26 -4.85 113.62 113.62 2djr n SER 74 Ca 0.06 0.79 -0.43 0.00 1.01 0.00 0.00 58.87 60.30 2djr n SER 74 Cb 0.56 -1.36 -0.03 0.00 -1.01 0.00 0.00 64.21 62.38 2djr n SER 74 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2djr s SER 75 N -1.25 6.37 0.00 6.43 1.04 -1.26 -5.21 113.70 119.82 2djr s SER 75 Ca 0.75 2.03 0.00 0.00 0.48 0.00 0.00 55.95 59.21 2djr s SER 75 Cb -0.42 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.17 2djr s SER 75 CO 0.48 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 174.11