#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 6.45 0.95 1.61 0.01 -1.26 -4.99 113.70 116.48 2djr s SER 2 Ca 0.00 1.74 -0.12 0.00 1.31 0.00 0.00 55.95 58.89 2djr s SER 2 Cb 0.00 -2.53 0.16 0.00 0.21 0.00 0.00 66.02 63.86 2djr s SER 2 CO 0.00 -1.18 1.09 -0.55 0.41 0.00 0.00 173.24 173.01 2djr s SER 3 N 4.00 2.91 0.00 2.44 0.15 -1.26 -4.88 113.70 117.07 2djr s SER 3 Ca 0.71 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.87 2djr s SER 3 Cb -0.26 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 2djr s SER 3 CO 0.29 -2.99 0.00 0.61 1.20 0.00 0.00 173.24 172.34 2djr n GLY 4 N -0.72 0.11 2.66 9.45 0.00 -1.26 -4.99 105.19 110.44 2djr n GLY 4 Ca 0.06 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 7.43 0.25 1.61 3.41 -1.26 -4.60 113.62 120.47 2djr n SER 5 Ca 0.00 -3.81 0.16 0.00 -0.26 0.00 0.00 58.87 54.95 2djr n SER 5 Cb 0.00 -1.00 0.56 0.00 -0.26 0.00 0.00 64.21 63.52 2djr n SER 5 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2djr h SER 6 N 2.59 0.00 -1.24 4.04 4.64 -1.97 -3.17 113.55 118.44 2djr h SER 6 Ca 0.57 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 61.28 2djr h SER 6 Cb 0.38 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.08 2djr h SER 6 CO 1.46 0.00 -0.39 0.61 -0.87 0.00 0.00 176.83 177.64 2djr n GLY 7 N 0.28 6.09 1.24 -0.77 0.00 -1.26 -4.77 105.19 105.99 2djr n GLY 7 Ca 0.02 -2.65 -0.05 0.00 0.00 0.00 0.00 46.02 43.34 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 -0.62 3.02 -0.01 1.61 3.41 -1.20 -4.12 113.62 115.71 2djr n SER 8 Ca 0.45 -2.40 -0.17 0.00 -0.26 0.00 0.00 58.87 56.50 2djr n SER 8 Cb 0.73 -0.58 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 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 0.43 0.75 -0.76 4.33 4.57 -1.90 -3.14 114.58 118.86 2djr h GLU 9 Ca 0.14 -0.62 0.20 0.00 -1.18 0.00 0.00 59.36 57.90 2djr h GLU 9 Cb 1.39 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 30.07 2djr h GLU 9 CO 0.27 1.23 0.53 0.00 -1.18 0.00 0.00 179.01 179.85 2djr h ALA 10 N 0.59 2.50 -0.64 2.92 0.00 -1.99 0.10 119.26 122.74 2djr h ALA 10 Ca -0.05 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.03 2djr h ALA 10 Cb 1.41 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2djr h ALA 10 CO 0.16 -0.72 0.46 -1.49 0.00 0.00 0.00 179.25 177.67 2djr h TRP 11 N 0.15 0.00 0.00 0.00 4.06 -1.86 0.22 115.95 118.51 2djr h TRP 11 Ca 0.37 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.32 2djr h TRP 11 Cb 1.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.40 2djr h TRP 11 CO -0.00 0.00 0.13 0.93 -3.56 0.00 0.00 178.44 175.94 2djr h GLU 12 N 0.00 0.00 -0.38 0.49 5.08 -0.98 0.39 114.58 119.18 2djr h GLU 12 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2djr h GLU 12 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 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 -2.66 1.22 -3.71 4.33 4.01 0.76 -4.83 117.16 116.28 2djr n TYR 13 Ca -0.02 -0.78 -0.14 0.00 -0.16 0.00 0.00 57.90 56.80 2djr n TYR 13 Cb 0.18 -0.33 -0.08 0.00 -0.31 0.00 0.00 39.34 38.80 2djr n TYR 13 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2djr s PHE 14 N -2.54 -0.27 -0.04 -0.72 0.40 0.14 0.19 117.98 115.15 2djr s PHE 14 Ca 0.44 0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 57.16 2djr s PHE 14 Cb 0.34 0.16 0.03 0.00 0.51 0.00 0.00 43.02 44.06 2djr s PHE 14 CO 0.13 -0.45 0.01 -3.38 0.70 0.00 0.00 175.22 172.23 2djr s HIS 15 N -1.48 0.32 0.46 0.36 -3.43 0.20 -4.81 115.29 106.91 2djr s HIS 15 Ca -0.12 0.02 -0.24 0.00 -0.80 0.00 0.00 55.06 53.92 2djr s HIS 15 Cb -0.04 -0.47 -0.07 0.00 -1.43 0.00 0.00 32.58 30.57 2djr s HIS 15 CO 0.04 -0.17 1.34 -0.51 -2.00 0.00 0.00 174.74 173.44 2djr s LEU 16 N 1.33 4.07 -0.00 5.38 1.43 -1.26 -0.37 118.68 129.25 2djr s LEU 16 Ca -0.06 2.72 0.02 0.00 -1.03 0.00 0.00 54.13 55.79 2djr s LEU 16 Cb -0.13 -4.05 -0.03 0.00 0.03 0.00 0.00 46.19 42.01 2djr s LEU 16 CO -0.02 -1.14 -0.04 0.00 0.23 0.00 0.00 176.35 175.37 2djr s ALA 17 N -1.29 3.12 0.70 4.21 0.00 -1.23 -4.88 121.76 122.39 2djr s ALA 17 Ca 0.63 -0.98 -0.13 0.00 0.00 0.00 0.00 51.96 51.47 2djr s ALA 17 Cb -0.39 -1.22 0.02 0.00 0.00 0.00 0.00 23.12 21.53 2djr s ALA 17 CO 0.49 0.62 1.10 -1.25 0.00 0.00 0.00 175.76 176.73 2djr s PRO 18 N -1.43 2.61 -0.30 0.00 0.04 -1.26 -3.95 135.00 130.71 2djr s PRO 18 Ca 0.18 1.31 -0.02 0.00 0.04 0.00 0.00 61.00 62.51 2djr s PRO 18 Cb -0.11 -1.93 0.10 0.00 0.04 0.00 0.00 34.50 32.59 2djr s PRO 18 CO 0.08 -1.39 0.10 0.00 0.04 0.00 0.00 177.00 175.83 2djr s ALA 19 N -2.53 1.29 -0.04 8.56 0.00 -1.26 -4.96 121.76 122.81 2djr s ALA 19 Ca 0.65 -1.48 -0.23 0.00 0.00 0.00 0.00 51.96 50.90 2djr s ALA 19 Cb -0.19 -1.54 -0.24 0.00 0.00 0.00 0.00 23.12 21.15 2djr s ALA 19 CO 0.47 -1.63 1.04 0.00 0.00 0.00 0.00 175.76 175.63 2djr h ARG 20 N 8.17 0.22 -5.30 0.00 3.08 -1.97 -3.41 114.38 115.18 2djr h ARG 20 Ca -0.15 -0.24 -0.62 0.00 0.07 0.00 0.00 59.98 59.04 2djr h ARG 20 Cb 1.02 0.07 -0.13 0.00 0.08 0.00 0.00 29.97 31.01 2djr h ARG 20 CO 0.46 0.97 -0.55 0.00 -1.07 0.00 0.00 179.97 179.77 2djr s ALA 21 N -3.11 3.44 0.00 0.04 0.00 -1.26 -5.04 121.76 115.82 2djr s ALA 21 Ca -0.15 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.55 2djr s ALA 21 Cb 0.01 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.40 2djr s ALA 21 CO 0.76 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.79 2djr n GLY 22 N -1.05 0.89 3.88 0.00 0.00 -1.26 -4.83 105.19 102.82 2djr n GLY 22 Ca -0.11 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 3.56 0.84 1.61 3.76 -1.26 -5.03 115.29 118.77 2djr s HIS 23 Ca 0.00 1.15 -0.13 0.00 -0.15 0.00 0.00 55.06 55.93 2djr s HIS 23 Cb 0.00 -2.57 0.07 0.00 1.11 0.00 0.00 32.58 31.18 2djr s HIS 23 CO 0.00 -0.45 0.97 -2.39 -0.85 0.00 0.00 174.74 172.03 2djr n HIS 24 N -2.24 0.49 -0.87 1.40 -0.00 -1.26 -4.85 115.22 107.89 2djr n HIS 24 Ca 0.04 0.37 -0.21 0.00 -0.00 0.00 0.00 57.72 57.92 2djr n HIS 24 Cb 0.54 -2.01 0.17 0.00 -0.00 0.00 0.00 29.99 28.69 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 -2.81 -2.49 -3.38 -1.40 -0.04 -1.26 -4.41 135.00 119.20 2djr n PRO 25 Ca 0.12 -1.20 -0.19 0.00 -0.04 0.00 0.00 63.50 62.19 2djr n PRO 25 Cb 0.51 -1.13 0.07 0.00 -0.04 0.00 0.00 33.50 32.91 2djr n PRO 25 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2djr n ASN 26 N -4.29 -4.88 -0.04 3.54 2.85 -1.25 -4.92 115.26 106.26 2djr n ASN 26 Ca 0.10 -0.47 -0.06 0.00 -0.11 0.00 0.00 54.58 54.04 2djr n ASN 26 Cb 0.40 -4.37 -0.03 0.00 1.24 0.00 0.00 39.78 37.02 2djr n ASN 26 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2djr n GLN 27 N -4.18 0.18 -4.43 1.20 10.64 -1.26 -5.04 117.38 114.49 2djr n GLN 27 Ca -0.05 0.05 -0.30 0.00 -1.83 0.00 0.00 57.00 54.88 2djr n GLN 27 Cb 0.57 -1.03 -0.12 0.00 -0.86 0.00 0.00 30.24 28.80 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 -2.15 2.54 -0.14 2.61 2.02 -1.26 -3.76 117.35 117.21 2djr s TYR 28 Ca -0.11 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.33 2djr s TYR 28 Cb 0.03 -1.39 -0.01 0.00 -0.40 0.00 0.00 41.96 40.19 2djr s TYR 28 CO 0.17 0.34 -0.14 0.00 -1.57 0.00 0.00 175.55 174.34 2djr s ALA 29 N -1.06 2.56 -0.38 3.71 0.00 -1.08 -3.51 121.76 122.00 2djr s ALA 29 Ca 0.17 -0.94 -0.22 0.00 0.00 0.00 0.00 51.96 50.98 2djr s ALA 29 Cb -0.11 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.83 2djr s ALA 29 CO 0.08 0.17 0.70 0.99 0.00 0.00 0.00 175.76 177.70 2djr s THR 30 N 0.48 4.81 0.07 0.00 2.01 0.50 -0.22 115.64 123.29 2djr s THR 30 Ca -0.10 0.60 -0.30 0.00 0.31 0.00 0.00 61.69 62.20 2djr s THR 30 Cb -0.16 -4.16 -0.09 0.00 0.01 0.00 0.00 72.50 68.10 2djr s THR 30 CO 0.05 -0.43 1.87 0.00 -0.69 0.00 0.00 174.62 175.42 2djr n ARG 32 N 6.61 0.51 -0.08 0.00 1.74 0.13 -0.63 116.66 124.93 2djr n ARG 32 Ca 0.19 -0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 57.11 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 -0.07 -1.52 0.00 0.00 177.63 176.04 2djr h LEU 33 N 0.06 0.00 0.00 0.55 3.38 -1.89 -3.44 115.31 113.97 2djr h LEU 33 Ca 0.00 -0.35 -0.28 0.00 0.09 0.00 0.00 57.88 57.34 2djr h LEU 33 Cb 0.27 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 2djr h LEU 33 CO 0.00 1.08 -2.03 0.00 0.09 0.00 0.00 178.44 177.58 2djr n GLY 35 N 2.38 1.92 3.88 0.00 0.00 0.19 -5.04 105.19 108.53 2djr n GLY 35 Ca -0.33 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.48 2.91 -0.18 1.61 0.52 -1.25 -4.76 118.95 117.33 2djr s ARG 36 Ca 0.00 -1.13 -0.17 0.00 -0.52 0.00 0.00 55.73 53.90 2djr s ARG 36 Cb 0.00 -2.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.84 2djr s ARG 36 CO 0.00 0.21 0.46 -0.65 0.02 0.00 0.00 175.30 175.34 2djr s GLN 37 N -3.98 4.23 -0.33 3.54 -1.52 -1.26 -0.31 119.66 120.03 2djr s GLN 37 Ca 0.39 0.35 -0.01 0.00 -1.95 0.00 0.00 55.36 54.13 2djr s GLN 37 Cb -0.07 -3.52 0.11 0.00 -0.22 0.00 0.00 33.01 29.31 2djr s GLN 37 CO 0.27 -0.02 0.14 0.08 -0.25 0.00 0.00 175.29 175.50 2djr s VAL 38 N 1.23 0.65 0.91 1.09 1.01 0.70 -4.93 120.40 121.06 2djr s VAL 38 Ca 0.23 -1.44 -0.11 0.00 0.00 0.00 0.00 61.98 60.65 2djr s VAL 38 Cb -0.15 -1.50 0.14 0.00 0.00 0.00 0.00 36.38 34.87 2djr s VAL 38 CO 0.09 -0.75 1.09 -0.55 0.00 0.00 0.00 175.10 174.98 2djr s SER 39 N 1.50 3.35 -0.23 3.32 0.15 -1.26 -2.63 113.70 117.89 2djr s SER 39 Ca 0.12 1.54 -0.16 0.00 0.70 0.00 0.00 55.95 58.14 2djr s SER 39 Cb -0.19 -2.21 -0.13 0.00 -1.71 0.00 0.00 66.02 61.78 2djr s SER 39 CO -0.22 -2.73 -0.17 0.54 1.20 0.00 0.00 173.24 171.87 2djr n ARG 40 N -3.95 0.56 0.00 5.44 1.74 -1.25 -4.84 116.66 114.38 2djr n ARG 40 Ca 0.07 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 2djr n ARG 40 Cb 0.55 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 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 1.36 0.90 0.00 -0.13 0.00 -1.26 -4.46 105.19 101.60 2djr n GLY 41 Ca -0.39 -1.95 0.06 0.00 0.00 0.00 0.00 46.02 43.74 2djr n GLY 41 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djr n PRO 42 N 1.35 0.49 -3.20 1.61 -0.04 -1.26 -3.92 135.00 130.02 2djr n PRO 42 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 2djr n PRO 42 Cb 0.00 -1.38 -0.07 0.00 -0.04 0.00 0.00 33.50 32.02 2djr n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2djr n GLY 43 N -0.02 1.63 1.80 0.55 0.00 -1.26 -4.96 105.19 102.92 2djr n GLY 43 Ca 0.09 -0.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 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 2.54 2.58 -2.45 1.61 3.14 -1.25 -4.70 118.33 119.80 2djr n VAL 44 Ca 0.25 -3.90 -0.14 0.00 -2.96 0.00 0.00 64.34 57.59 2djr n VAL 44 Cb 0.51 -0.97 0.03 0.00 -1.06 0.00 0.00 33.84 32.35 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 -0.81 3.28 -2.32 6.55 3.02 -1.26 -4.66 115.26 119.07 2djr n ASN 45 Ca 0.42 -3.00 -0.34 0.00 -0.03 0.00 0.00 54.58 51.63 2djr n ASN 45 Cb 0.91 -0.43 0.07 0.00 -0.61 0.00 0.00 39.78 39.72 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 -0.57 3.50 0.00 2.41 0.31 -1.26 -4.91 118.33 117.81 2djr n VAL 46 Ca 0.26 -3.14 0.00 0.00 -0.01 0.00 0.00 64.34 61.45 2djr n VAL 46 Cb 0.85 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 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 -0.88 1.40 3.36 2.92 0.00 -1.26 -4.84 105.19 105.89 2djr n GLY 47 Ca 0.60 -0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.18 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 5.08 -0.05 2.61 2.01 -1.26 -4.88 115.64 119.16 2djr s THR 48 Ca 0.00 -1.17 -0.38 0.00 0.31 0.00 0.00 61.69 60.45 2djr s THR 48 Cb 0.00 -4.07 -0.16 0.00 0.01 0.00 0.00 72.50 68.27 2djr s THR 48 CO 0.00 -0.61 1.49 0.41 -0.69 0.00 0.00 174.62 175.22 2djr n THR 49 N 5.17 0.11 -0.49 -0.82 -1.04 -1.26 -4.72 114.28 111.23 2djr n THR 49 Ca -0.12 -0.02 0.40 0.00 -2.04 0.00 0.00 64.05 62.27 2djr n THR 49 Cb 0.43 -0.97 0.61 0.00 -1.82 0.00 0.00 70.33 68.59 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 3.57 1.42 -0.00 2.41 0.00 -1.26 0.15 120.51 126.79 2djr n ALA 50 Ca 0.21 0.49 -0.12 0.00 0.00 0.00 0.00 53.44 54.02 2djr n ALA 50 Cb 0.17 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 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 0.10 -0.59 0.00 3.38 -1.88 -3.08 115.31 113.23 2djr h LEU 51 Ca 0.70 -0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.66 2djr h LEU 51 Cb 3.06 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 43.67 2djr h LEU 51 CO -0.01 0.19 -0.32 -0.50 0.09 0.00 0.00 178.44 177.90 2djr h TRP 52 N -0.01 -0.87 -0.99 1.13 4.06 0.10 0.13 115.95 119.50 2djr h TRP 52 Ca 0.03 0.07 0.33 0.00 2.06 0.00 0.00 58.89 61.38 2djr h TRP 52 Cb 0.12 0.47 -0.18 0.00 -1.00 0.00 0.00 29.16 28.57 2djr h TRP 52 CO -0.03 -0.37 0.24 0.87 -3.56 0.00 0.00 178.44 175.58 2djr h LYS 53 N -0.15 0.02 -0.20 0.49 6.56 -1.60 0.67 116.57 122.36 2djr h LYS 53 Ca 0.24 -0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.78 2djr h LYS 53 Cb 0.55 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.20 2djr h LYS 53 CO -0.68 0.01 -0.07 1.25 -2.06 0.00 0.00 179.45 177.90 2djr h HIS 54 N 0.02 0.45 -0.17 -1.35 2.76 -0.84 -0.50 115.15 115.52 2djr h HIS 54 Ca 0.70 -0.11 0.03 0.00 -2.20 0.00 0.00 60.37 58.80 2djr h HIS 54 Cb 1.63 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 30.45 2djr h HIS 54 CO -0.30 0.67 -0.03 -0.07 -1.30 0.00 0.00 177.93 176.90 2djr h LEU 55 N 0.10 -0.14 -0.00 0.26 3.38 0.75 -0.14 115.31 119.51 2djr h LEU 55 Ca 0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2djr h LEU 55 Cb 0.54 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2djr h LEU 55 CO 0.02 -0.05 0.00 0.29 0.09 0.00 0.00 178.44 178.80 2djr n LYS 56 N -5.17 0.00 0.09 1.13 5.02 0.26 0.24 118.16 119.73 2djr n LYS 56 Ca -0.03 0.13 -0.23 0.00 -2.02 0.00 0.00 58.31 56.15 2djr n LYS 56 Cb 0.11 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.46 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 0.64 -3.35 113.55 116.77 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 0.38 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2djr h SER 57 CO 0.00 1.70 -0.68 1.15 -0.53 0.00 0.00 176.83 178.47 2djr n MET 58 N -3.75 1.60 -0.64 2.24 0.00 -0.42 -4.72 117.12 111.43 2djr n MET 58 Ca -0.21 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.52 2djr n MET 58 Cb 1.04 -0.84 0.26 0.00 0.00 0.00 0.00 33.22 33.68 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 -1.78 1.49 -0.33 3.17 8.25 0.66 -4.50 115.22 122.19 2djr n HIS 59 Ca 0.00 -0.59 0.18 0.00 -0.26 0.00 0.00 57.72 57.04 2djr n HIS 59 Cb 0.34 -0.42 0.38 0.00 1.12 0.00 0.00 29.99 31.41 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 2.48 0.43 -0.12 -0.41 2.43 0.16 0.63 114.38 119.97 2djr h ARG 60 Ca 0.05 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 2djr h ARG 60 Cb 1.59 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 2djr h ARG 60 CO 0.38 0.28 -0.25 0.93 -1.51 0.00 0.00 179.97 179.80 2djr h GLU 61 N 0.44 0.39 -0.58 0.20 5.08 -1.85 -2.93 114.58 115.33 2djr h GLU 61 Ca 0.64 -0.25 0.11 0.00 -1.00 0.00 0.00 59.36 58.86 2djr h GLU 61 Cb 1.29 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.48 2djr h GLU 61 CO -0.54 0.86 0.08 1.49 -1.00 0.00 0.00 179.01 179.90 2djr h GLU 62 N -0.03 0.19 0.53 2.33 4.57 -1.25 0.13 114.58 121.05 2djr h GLU 62 Ca 0.00 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2djr h GLU 62 Cb 0.85 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 2djr h GLU 62 CO 0.06 0.13 -0.26 -0.07 -1.18 0.00 0.00 179.01 177.69 2djr h LEU 63 N 0.20 -0.61 -0.48 1.64 3.38 -1.27 -1.30 115.31 116.87 2djr h LEU 63 Ca 0.30 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.38 2djr h LEU 63 Cb 0.46 0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.27 2djr h LEU 63 CO -0.43 -0.43 -0.37 -0.33 0.09 0.00 0.00 178.44 176.96 2djr h GLU 64 N -0.71 -0.24 -0.70 1.13 5.08 -1.31 0.13 114.58 117.96 2djr h GLU 64 Ca -0.07 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.45 2djr h GLU 64 Cb 0.55 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.74 2djr h GLU 64 CO 0.12 -0.16 0.12 -0.22 -1.00 0.00 0.00 179.01 177.87 2djr h LYS 65 N -0.24 0.21 -0.26 2.33 3.64 -0.75 -0.94 116.57 120.55 2djr h LYS 65 Ca 0.18 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2djr h LYS 65 Cb 0.56 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2djr h LYS 65 CO -0.61 0.14 0.10 1.03 -2.27 0.00 0.00 179.45 177.84 2djr h SER 66 N 0.22 0.36 0.00 4.20 0.87 0.23 -3.48 113.55 115.96 2djr h SER 66 Ca 0.39 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2djr h SER 66 Cb 0.66 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2djr h SER 66 CO -0.52 0.43 0.00 0.61 -0.53 0.00 0.00 176.83 176.82 2djr n GLY 67 N -0.71 0.92 2.52 5.77 0.00 0.26 -5.05 105.19 108.89 2djr n GLY 67 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 3.13 0.24 1.61 8.25 -1.16 -4.80 115.22 122.49 2djr n HIS 68 Ca 0.00 -2.69 -0.10 0.00 -0.26 0.00 0.00 57.72 54.68 2djr n HIS 68 Cb 0.00 -0.74 -0.05 0.00 1.12 0.00 0.00 29.99 30.33 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 2.55 -0.66 -3.67 -1.41 0.00 -1.90 -3.22 103.07 94.75 2djr h GLY 69 Ca 0.46 0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.89 2djr h GLY 69 CO 1.16 -0.24 -0.23 0.61 0.00 0.00 0.00 176.54 177.85 2djr n GLN 70 N -4.26 1.67 -0.09 4.80 10.64 -1.26 -3.86 117.38 125.03 2djr n GLN 70 Ca -0.08 -0.71 -0.12 0.00 -1.83 0.00 0.00 57.00 54.26 2djr n GLN 70 Cb 0.25 -1.66 -0.08 0.00 -0.86 0.00 0.00 30.24 27.88 2djr n GLN 70 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2djr n SER 71 N 2.09 2.62 -3.39 2.61 7.64 -1.22 -4.94 113.62 119.04 2djr n SER 71 Ca 0.29 -0.09 -0.17 0.00 1.01 0.00 0.00 58.87 59.91 2djr n SER 71 Cb 0.77 -0.28 -0.09 0.00 -1.01 0.00 0.00 64.21 63.60 2djr n SER 71 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2djr s GLY 72 N -5.68 -0.10 0.84 0.23 0.00 -1.25 -5.00 107.32 96.36 2djr s GLY 72 Ca -0.23 -0.52 -0.14 0.00 0.00 0.00 0.00 44.72 43.83 2djr s GLY 72 CO 0.40 2.67 0.74 -1.55 0.00 0.00 0.00 173.10 175.37 2djr n PRO 73 N 4.99 -2.49 -4.31 2.90 -0.04 -1.26 -5.09 135.00 129.70 2djr n PRO 73 Ca 0.02 -1.19 -0.26 0.00 -0.04 0.00 0.00 63.50 62.03 2djr n PRO 73 Cb 0.46 -1.12 -0.09 0.00 -0.04 0.00 0.00 33.50 32.72 2djr n PRO 73 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2djr s SER 74 N -3.50 4.23 0.24 3.54 0.15 -1.26 -4.97 113.70 112.13 2djr s SER 74 Ca 0.48 -1.19 0.11 0.00 0.70 0.00 0.00 55.95 56.05 2djr s SER 74 Cb -0.05 -0.43 -0.05 0.00 -1.71 0.00 0.00 66.02 63.79 2djr s SER 74 CO 0.37 -0.52 -0.17 -0.55 1.20 0.00 0.00 173.24 173.57 2djr s SER 75 N -3.84 3.78 0.00 5.45 0.15 -1.26 -5.23 113.70 112.75 2djr s SER 75 Ca 0.38 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 56.16 2djr s SER 75 Cb 0.06 -0.42 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 2djr s SER 75 CO 0.21 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.32