#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 -1.78 -4.61 1.61 3.41 -1.26 -4.82 113.62 106.18 2djr n SER 2 Ca 0.00 -1.17 -0.43 0.00 -0.26 0.00 0.00 58.87 57.01 2djr n SER 2 Cb 0.00 -2.04 -0.02 0.00 -0.26 0.00 0.00 64.21 61.89 2djr n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2djr s SER 3 N -3.50 6.38 0.00 4.04 1.04 -1.26 -4.98 113.70 115.43 2djr s SER 3 Ca 0.64 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.98 2djr s SER 3 Cb -0.36 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.22 2djr s SER 3 CO 0.99 -1.38 0.00 0.61 0.98 0.00 0.00 173.24 174.44 2djr n GLY 4 N 4.95 0.87 2.38 7.32 0.00 -1.26 -4.86 105.19 114.59 2djr n GLY 4 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2djr n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2djr n SER 5 N 0.00 6.94 -4.16 1.61 7.64 -1.26 -4.88 113.62 119.51 2djr n SER 5 Ca 0.00 -3.79 -0.39 0.00 1.01 0.00 0.00 58.87 55.70 2djr n SER 5 Cb 0.00 -0.83 -0.08 0.00 -1.01 0.00 0.00 64.21 62.29 2djr n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2djr s SER 6 N -2.16 5.64 0.00 6.43 1.04 -1.26 -4.46 113.70 118.92 2djr s SER 6 Ca 0.59 -2.74 0.00 0.00 0.48 0.00 0.00 55.95 54.28 2djr s SER 6 Cb 0.47 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.64 2djr s SER 6 CO -0.08 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2djr n GLY 7 N 3.72 0.54 1.46 7.32 0.00 -1.26 -4.99 105.19 111.97 2djr n GLY 7 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 4.58 0.10 1.61 3.41 -1.26 -4.08 113.62 117.99 2djr n SER 8 Ca 0.00 -2.50 -0.22 0.00 -0.26 0.00 0.00 58.87 55.89 2djr n SER 8 Cb 0.00 -0.86 -0.15 0.00 -0.26 0.00 0.00 64.21 62.94 2djr n SER 8 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2djr h GLU 9 N 0.73 0.42 -1.11 4.33 5.08 -1.94 -3.31 114.58 118.78 2djr h GLU 9 Ca 0.12 -0.71 0.31 0.00 -1.00 0.00 0.00 59.36 58.07 2djr h GLU 9 Cb 1.14 0.27 -0.07 0.00 0.50 0.00 0.00 28.75 30.58 2djr h GLU 9 CO 0.26 1.33 0.76 0.00 -1.00 0.00 0.00 179.01 180.35 2djr h ALA 10 N 0.24 2.67 -0.79 3.43 0.00 -1.98 0.38 119.26 123.20 2djr h ALA 10 Ca -0.27 0.02 0.20 0.00 0.00 0.00 0.00 54.91 54.85 2djr h ALA 10 Cb 2.10 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.91 2djr h ALA 10 CO 0.22 -1.05 0.54 -1.49 0.00 0.00 0.00 179.25 177.47 2djr h TRP 11 N 0.19 0.28 0.00 0.00 4.06 -1.89 0.30 115.95 118.89 2djr h TRP 11 Ca 0.59 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.54 2djr h TRP 11 Cb 1.90 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 29.97 2djr h TRP 11 CO -0.00 0.08 0.11 0.39 -3.56 0.00 0.00 178.44 175.46 2djr n GLU 12 N -4.41 0.12 -0.46 0.49 1.02 0.13 0.31 120.64 117.83 2djr n GLU 12 Ca 0.16 0.60 0.08 0.00 -0.02 0.00 0.00 57.16 57.99 2djr n GLU 12 Cb 0.71 -1.99 0.26 0.00 -0.02 0.00 0.00 31.44 30.40 2djr n GLU 12 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2djr n TYR 13 N -2.15 0.99 -3.77 -0.32 4.02 0.10 -4.88 117.16 111.16 2djr n TYR 13 Ca -0.01 -0.83 -0.12 0.00 -0.01 0.00 0.00 57.90 56.93 2djr n TYR 13 Cb 0.14 -0.30 -0.08 0.00 -0.02 0.00 0.00 39.34 39.07 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 -2.66 -0.09 -0.03 -0.72 0.08 0.15 0.11 117.98 114.82 2djr s PHE 14 Ca 0.42 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.44 2djr s PHE 14 Cb 0.33 0.08 0.03 0.00 -0.57 0.00 0.00 43.02 42.88 2djr s PHE 14 CO 0.10 -0.48 0.01 -3.38 -0.10 0.00 0.00 175.22 171.38 2djr s HIS 15 N -2.37 0.22 0.51 0.36 -3.43 0.21 -4.82 115.29 105.96 2djr s HIS 15 Ca -0.06 0.04 -0.21 0.00 -0.80 0.00 0.00 55.06 54.03 2djr s HIS 15 Cb -0.02 -0.35 -0.07 0.00 -1.43 0.00 0.00 32.58 30.72 2djr s HIS 15 CO -0.02 -0.11 1.13 -0.51 -2.00 0.00 0.00 174.74 173.22 2djr s LEU 16 N 1.03 3.85 0.10 5.38 1.43 -1.26 -0.25 118.68 128.95 2djr s LEU 16 Ca -0.10 2.19 -0.13 0.00 -1.03 0.00 0.00 54.13 55.06 2djr s LEU 16 Cb -0.13 -4.46 -0.06 0.00 0.03 0.00 0.00 46.19 41.56 2djr s LEU 16 CO -0.02 -1.06 0.48 0.00 0.23 0.00 0.00 176.35 175.98 2djr s ALA 17 N -1.72 3.65 0.65 4.21 0.00 -1.23 -4.90 121.76 122.41 2djr s ALA 17 Ca 0.69 -0.22 -0.15 0.00 0.00 0.00 0.00 51.96 52.28 2djr s ALA 17 Cb -0.24 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.44 2djr s ALA 17 CO 0.29 0.49 1.11 -1.25 0.00 0.00 0.00 175.76 176.40 2djr s PRO 18 N -1.76 2.85 -0.01 0.00 0.04 -1.26 -4.71 135.00 130.16 2djr s PRO 18 Ca 0.33 1.41 0.05 0.00 0.04 0.00 0.00 61.00 62.83 2djr s PRO 18 Cb -0.15 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 2djr s PRO 18 CO 0.18 -1.21 -0.16 0.00 0.04 0.00 0.00 177.00 175.85 2djr s ALA 19 N -2.29 1.30 0.11 8.56 0.00 -1.26 -5.03 121.76 123.15 2djr s ALA 19 Ca 0.67 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2djr s ALA 19 Cb -0.21 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.58 2djr s ALA 19 CO 0.40 0.32 0.00 0.54 0.00 0.00 0.00 175.76 177.02 2djr n ARG 20 N 2.70 0.00 -0.26 0.00 1.74 -1.26 -4.83 116.66 114.74 2djr n ARG 20 Ca -0.14 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.01 2djr n ARG 20 Cb 0.55 -0.27 0.21 0.00 -1.02 0.00 0.00 32.46 31.92 2djr n ARG 20 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2djr h ALA 21 N 0.00 1.09 0.00 7.54 0.00 -2.05 -3.45 119.26 122.39 2djr h ALA 21 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2djr h ALA 21 Cb 0.24 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2djr h ALA 21 CO 0.00 -0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.36 2djr n GLY 22 N -1.34 1.13 3.46 0.00 0.00 -1.26 -5.18 105.19 101.99 2djr n GLY 22 Ca 0.16 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -0.33 0.17 1.61 -3.43 -1.26 -5.14 115.29 106.91 2djr s HIS 23 Ca 0.00 0.61 -0.26 0.00 -0.80 0.00 0.00 55.06 54.61 2djr s HIS 23 Cb 0.00 0.20 -0.16 0.00 -1.43 0.00 0.00 32.58 31.19 2djr s HIS 23 CO 0.00 -0.16 0.49 1.58 -2.00 0.00 0.00 174.74 174.65 2djr n HIS 24 N 4.10 -0.40 0.97 0.38 -0.00 -1.26 -4.68 115.22 114.32 2djr n HIS 24 Ca -0.12 0.88 0.05 0.00 -0.00 0.00 0.00 57.72 58.53 2djr n HIS 24 Cb 0.55 -1.78 0.32 0.00 -0.00 0.00 0.00 29.99 29.08 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 0.93 0.49 -1.33 1.57 -0.04 -1.26 -3.20 135.00 132.15 2djr n PRO 25 Ca 0.16 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.29 2djr n PRO 25 Cb 0.22 -1.35 0.09 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.85 7.12 -0.05 3.54 2.85 -1.26 -4.27 115.26 122.34 2djr n ASN 26 Ca 0.08 -3.77 -0.01 0.00 -0.11 0.00 0.00 54.58 50.78 2djr n ASN 26 Cb 0.04 -0.94 -0.00 0.00 1.24 0.00 0.00 39.78 40.11 2djr n ASN 26 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2djr h GLN 27 N 1.88 0.00 -4.16 1.20 5.75 -1.90 -3.47 115.11 114.41 2djr h GLN 27 Ca 0.60 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.94 2djr h GLN 27 Cb 1.09 0.00 -0.19 0.00 1.07 0.00 0.00 27.48 29.45 2djr h GLN 27 CO 1.51 0.00 -0.70 0.71 -2.65 0.00 0.00 178.83 177.70 2djr s TYR 28 N -1.63 0.42 -0.13 3.99 1.51 -1.26 -4.42 117.35 115.83 2djr s TYR 28 Ca -0.03 -0.73 -0.00 0.00 -1.01 0.00 0.00 57.07 55.30 2djr s TYR 28 Cb 0.00 -0.30 -0.02 0.00 -0.11 0.00 0.00 41.96 41.54 2djr s TYR 28 CO 0.04 -0.24 -0.12 0.00 -1.11 0.00 0.00 175.55 174.11 2djr s ALA 29 N -2.41 2.66 -0.32 3.71 0.00 -0.21 -3.58 121.76 121.61 2djr s ALA 29 Ca -0.06 -0.88 -0.17 0.00 0.00 0.00 0.00 51.96 50.85 2djr s ALA 29 Cb -0.03 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 2djr s ALA 29 CO -0.04 0.26 0.46 0.99 0.00 0.00 0.00 175.76 177.42 2djr s THR 30 N 0.31 5.08 0.10 0.00 2.01 0.65 -0.23 115.64 123.56 2djr s THR 30 Ca -0.10 0.41 -0.31 0.00 0.31 0.00 0.00 61.69 62.01 2djr s THR 30 Cb -0.16 -3.86 -0.09 0.00 0.01 0.00 0.00 72.50 68.40 2djr s THR 30 CO 0.05 -0.07 1.67 0.00 -0.69 0.00 0.00 174.62 175.59 2djr n ARG 32 N 5.29 1.32 -0.09 0.00 1.74 0.12 -1.25 116.66 123.79 2djr n ARG 32 Ca 0.16 -0.60 -0.23 0.00 -0.77 0.00 0.00 57.85 56.41 2djr n ARG 32 Cb 0.40 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.23 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 -0.31 2.03 -0.01 0.55 4.77 -1.25 -4.79 117.00 117.99 2djr n LEU 33 Ca 0.19 0.36 -0.01 0.00 -0.03 0.00 0.00 56.01 56.52 2djr n LEU 33 Cb 0.28 -0.97 -0.01 0.00 -2.33 0.00 0.00 43.42 40.40 2djr n LEU 33 CO 0.18 0.44 -0.55 0.00 -1.33 0.00 0.00 177.39 176.13 2djr n GLY 35 N 3.41 1.71 3.83 0.00 0.00 -0.38 -5.03 105.19 108.72 2djr n GLY 35 Ca -0.03 0.00 -0.37 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 -0.13 4.10 -0.19 1.61 1.81 -1.26 -4.66 118.95 120.23 2djr s ARG 36 Ca 0.00 0.63 -0.25 0.00 -1.72 0.00 0.00 55.73 54.40 2djr s ARG 36 Cb 0.00 -3.07 -0.01 0.00 -0.45 0.00 0.00 34.95 31.42 2djr s ARG 36 CO 0.00 0.55 0.81 -0.65 -0.68 0.00 0.00 175.30 175.33 2djr s GLN 37 N -1.56 4.26 -0.17 3.54 1.11 -1.26 -1.11 119.66 124.47 2djr s GLN 37 Ca 0.34 0.95 -0.00 0.00 0.01 0.00 0.00 55.36 56.66 2djr s GLN 37 Cb -0.17 -3.59 0.04 0.00 -1.01 0.00 0.00 33.01 28.28 2djr s GLN 37 CO 0.19 -0.36 -0.08 0.08 0.01 0.00 0.00 175.29 175.13 2djr s VAL 38 N 2.27 1.30 0.27 1.09 1.01 0.68 -4.93 120.40 122.09 2djr s VAL 38 Ca 0.36 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.71 2djr s VAL 38 Cb -0.16 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 2djr s VAL 38 CO 0.11 0.20 0.37 -0.94 0.00 0.00 0.00 175.10 174.84 2djr s SER 39 N 1.56 6.08 -0.26 3.32 1.04 -1.26 -1.05 113.70 123.13 2djr s SER 39 Ca 0.01 -0.07 -0.14 0.00 0.48 0.00 0.00 55.95 56.23 2djr s SER 39 Cb -0.15 -1.58 -0.14 0.00 0.10 0.00 0.00 66.02 64.25 2djr s SER 39 CO -0.08 -0.19 -0.22 0.54 0.98 0.00 0.00 173.24 174.27 2djr n ARG 40 N -1.45 0.59 0.00 4.02 1.74 -1.26 -4.99 116.66 115.32 2djr n ARG 40 Ca -0.06 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 2djr n ARG 40 Cb 0.58 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 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 1.39 -2.72 3.77 -0.13 0.00 -1.26 -4.91 105.19 101.33 2djr n GLY 41 Ca -0.49 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.00 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 -0.72 3.89 -0.07 1.61 0.04 -1.26 -4.33 135.00 134.17 2djr s PRO 42 Ca 0.00 1.83 -0.06 0.00 0.04 0.00 0.00 61.00 62.80 2djr s PRO 42 Cb 0.00 -2.54 0.01 0.00 0.04 0.00 0.00 34.50 32.01 2djr s PRO 42 CO 0.00 -0.45 0.11 0.41 0.04 0.00 0.00 177.00 177.10 2djr n GLY 43 N 0.54 0.03 3.33 0.56 0.00 -1.26 -4.96 105.19 103.43 2djr n GLY 43 Ca 0.06 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 2djr n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2djr s VAL 44 N -0.77 2.09 -0.30 1.61 1.01 -1.26 -5.11 120.40 117.66 2djr s VAL 44 Ca 0.06 -1.32 -0.16 0.00 0.00 0.00 0.00 61.98 60.55 2djr s VAL 44 Cb -0.01 -1.78 0.18 0.00 0.00 0.00 0.00 36.38 34.78 2djr s VAL 44 CO 0.14 0.39 1.14 0.21 0.00 0.00 0.00 175.10 176.98 2djr s ASN 45 N -1.12 -0.31 -0.28 3.32 3.04 -1.26 -5.14 114.94 113.19 2djr s ASN 45 Ca 0.11 0.33 -0.23 0.00 0.04 0.00 0.00 52.86 53.11 2djr s ASN 45 Cb -0.10 1.31 0.13 0.00 -1.54 0.00 0.00 41.25 41.05 2djr s ASN 45 CO 0.01 -0.06 1.01 0.54 -3.04 0.00 0.00 177.10 175.57 2djr s VAL 46 N 2.50 0.00 0.48 -5.21 0.11 -1.26 -5.02 120.40 112.00 2djr s VAL 46 Ca -0.02 0.00 0.32 0.00 -2.93 0.00 0.00 61.98 59.35 2djr s VAL 46 Cb -0.06 -1.00 0.52 0.00 -1.53 0.00 0.00 36.38 34.31 2djr s VAL 46 CO -0.14 0.00 1.72 1.23 -3.33 0.00 0.00 175.10 174.58 2djr h GLY 47 N 4.72 0.66 -7.68 6.54 0.00 -2.02 -3.21 103.07 102.09 2djr h GLY 47 Ca -0.28 -0.08 -0.75 0.00 0.00 0.00 0.00 47.33 46.21 2djr h GLY 47 CO 0.13 -0.14 0.35 -1.59 0.00 0.00 0.00 176.54 175.29 2djr s THR 48 N -5.17 5.29 -0.17 4.70 2.01 -1.26 -4.96 115.64 116.08 2djr s THR 48 Ca -0.07 -2.13 -0.41 0.00 0.31 0.00 0.00 61.69 59.40 2djr s THR 48 Cb 0.26 -4.57 -0.18 0.00 0.01 0.00 0.00 72.50 68.02 2djr s THR 48 CO 0.82 -1.19 1.47 0.41 -0.69 0.00 0.00 174.62 175.44 2djr n THR 49 N 4.54 0.10 -0.44 -0.82 -1.04 -1.21 -4.71 114.28 110.69 2djr n THR 49 Ca 0.16 -0.02 0.35 0.00 -2.04 0.00 0.00 64.05 62.51 2djr n THR 49 Cb 0.48 -0.73 0.56 0.00 -1.82 0.00 0.00 70.33 68.82 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 3.56 1.22 0.30 2.41 0.00 -1.26 0.83 120.51 127.57 2djr n ALA 50 Ca 0.24 0.58 -0.17 0.00 0.00 0.00 0.00 53.44 54.09 2djr n ALA 50 Cb 0.10 -0.83 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.91 -0.93 0.00 3.38 -1.94 -2.95 115.31 111.96 2djr h LEU 51 Ca 0.69 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.85 2djr h LEU 51 Cb 2.47 0.28 -0.15 0.00 0.09 0.00 0.00 40.66 43.36 2djr h LEU 51 CO -0.19 -0.54 -0.38 0.79 0.09 0.00 0.00 178.44 178.21 2djr n TRP 52 N -5.48 -0.02 -0.34 1.13 7.02 0.24 0.66 117.44 120.65 2djr n TRP 52 Ca -0.12 1.15 0.16 0.00 -1.02 0.00 0.00 57.50 57.67 2djr n TRP 52 Cb 0.38 -0.82 0.30 0.00 -2.42 0.00 0.00 31.31 28.75 2djr n TRP 52 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2djr n LYS 53 N -5.35 -0.08 -0.06 -0.99 4.01 -1.11 0.46 118.16 115.04 2djr n LYS 53 Ca 0.09 1.48 -0.13 0.00 -0.51 0.00 0.00 58.31 59.24 2djr n LYS 53 Cb 0.36 -2.37 -0.07 0.00 -0.51 0.00 0.00 35.03 32.45 2djr n LYS 53 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2djr h HIS 54 N 0.00 0.49 -0.39 2.13 2.76 0.17 -0.81 115.15 119.50 2djr h HIS 54 Ca 0.61 -0.14 0.05 0.00 -2.20 0.00 0.00 60.37 58.69 2djr h HIS 54 Cb 1.28 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 30.10 2djr h HIS 54 CO -0.48 0.78 0.14 -0.07 -1.30 0.00 0.00 177.93 176.99 2djr h LEU 55 N 0.06 0.15 0.00 0.26 3.38 0.82 0.12 115.31 120.09 2djr h LEU 55 Ca 0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2djr h LEU 55 Cb 0.69 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2djr h LEU 55 CO 0.04 0.12 0.00 0.29 0.09 0.00 0.00 178.44 178.98 2djr n LYS 56 N -5.01 0.06 0.09 1.13 5.02 0.10 0.16 118.16 119.71 2djr n LYS 56 Ca 0.02 0.04 -0.23 0.00 -2.02 0.00 0.00 58.31 56.13 2djr n LYS 56 Cb 0.14 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.50 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 0.65 0.00 4.39 0.87 0.51 -3.36 113.55 116.61 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 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2djr h SER 57 CO 0.00 1.64 -0.65 1.15 -0.53 0.00 0.00 176.83 178.45 2djr n MET 58 N -3.82 1.55 -0.68 2.24 0.00 -0.55 -4.73 117.12 111.13 2djr n MET 58 Ca -0.19 0.00 -0.04 0.00 0.00 0.00 0.00 57.70 57.47 2djr n MET 58 Cb 1.00 -0.82 0.20 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 -1.74 1.64 -0.33 3.17 8.25 0.43 -4.46 115.22 122.18 2djr n HIS 59 Ca 0.00 -0.87 0.11 0.00 -0.26 0.00 0.00 57.72 56.70 2djr n HIS 59 Cb 0.32 -0.52 0.32 0.00 1.12 0.00 0.00 29.99 31.23 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 1.75 0.79 -0.34 -0.41 2.43 -0.33 -0.18 114.38 118.09 2djr h ARG 60 Ca 0.18 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.15 2djr h ARG 60 Cb 1.80 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 31.16 2djr h ARG 60 CO 0.50 0.52 -0.41 0.93 -1.51 0.00 0.00 179.97 180.00 2djr h GLU 61 N 0.81 0.83 -0.89 0.20 4.39 -1.85 -2.14 114.58 115.94 2djr h GLU 61 Ca 0.52 -0.45 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 2djr h GLU 61 Cb 0.74 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.36 2djr h GLU 61 CO -0.29 1.08 0.55 1.49 -1.16 0.00 0.00 179.01 180.68 2djr h GLU 62 N 0.67 1.20 0.24 2.33 4.57 -1.39 -0.24 114.58 121.95 2djr h GLU 62 Ca 0.05 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2djr h GLU 62 Cb 0.98 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 2djr h GLU 62 CO 0.09 0.83 -0.11 -0.07 -1.18 0.00 0.00 179.01 178.57 2djr h LEU 63 N 1.22 -0.27 -0.94 1.64 3.38 -1.24 0.28 115.31 119.38 2djr h LEU 63 Ca 0.32 -0.26 0.14 0.00 0.09 0.00 0.00 57.88 58.17 2djr h LEU 63 Cb -0.07 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 2djr h LEU 63 CO -0.06 0.18 0.56 -0.33 0.09 0.00 0.00 178.44 178.87 2djr h GLU 64 N -0.79 0.80 0.15 1.13 5.08 -1.30 -1.10 114.58 118.54 2djr h GLU 64 Ca -0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2djr h GLU 64 Cb 0.51 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2djr h GLU 64 CO 0.05 0.53 -0.07 -0.22 -1.00 0.00 0.00 179.01 178.30 2djr h LYS 65 N 0.83 -0.19 -0.95 2.33 3.11 -1.05 -3.28 116.57 117.36 2djr h LYS 65 Ca 0.49 0.01 0.29 0.00 -2.81 0.00 0.00 60.65 58.63 2djr h LYS 65 Cb 0.59 0.04 -0.15 0.00 -1.00 0.00 0.00 32.23 31.72 2djr h LYS 65 CO -0.31 0.23 0.39 0.66 -2.81 0.00 0.00 179.45 177.60 2djr h SER 66 N -0.91 0.21 -1.37 4.20 4.64 -0.14 -3.46 113.55 116.72 2djr h SER 66 Ca -0.02 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2djr h SER 66 Cb 0.51 0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2djr h SER 66 CO 0.03 -0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.42 2djr n GLY 67 N -1.34 0.66 2.31 -0.77 0.00 -0.44 -4.98 105.19 100.62 2djr n GLY 67 Ca 0.27 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.69 1.80 -1.10 1.61 8.25 -1.23 -5.01 115.22 118.85 2djr n HIS 68 Ca 0.00 -2.06 0.15 0.00 -0.26 0.00 0.00 57.72 55.55 2djr n HIS 68 Cb 0.28 -1.24 -0.04 0.00 1.12 0.00 0.00 29.99 30.12 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 0.47 -1.41 2.54 -1.41 0.00 -1.26 -3.74 105.19 100.38 2djr n GLY 69 Ca 0.44 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.32 3.12 -0.80 1.61 1.13 -1.26 -4.73 117.38 113.13 2djr n GLN 70 Ca 0.01 -2.27 -0.08 0.00 -1.94 0.00 0.00 57.00 52.71 2djr n GLN 70 Cb 0.50 -2.96 -0.06 0.00 0.11 0.00 0.00 30.24 27.82 2djr n GLN 70 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2djr n SER 71 N 4.81 5.52 0.00 1.08 3.41 -1.24 -4.76 113.62 122.44 2djr n SER 71 Ca 0.64 -2.57 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 2djr n SER 71 Cb 0.29 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 2djr n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2djr n GLY 72 N 1.69 3.39 3.73 5.00 0.00 -1.26 -5.12 105.19 112.61 2djr n GLY 72 Ca 0.22 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.08 4.36 0.29 1.61 0.04 -1.26 -4.94 135.00 134.02 2djr s PRO 73 Ca 0.00 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 62.83 2djr s PRO 73 Cb 0.00 -3.23 -0.16 0.00 0.04 0.00 0.00 34.50 31.15 2djr s PRO 73 CO 0.00 -0.34 0.49 0.45 0.04 0.00 0.00 177.00 177.64 2djr n SER 74 N 3.32 -1.23 -3.51 6.66 2.88 -1.26 -4.97 113.62 115.50 2djr n SER 74 Ca 0.09 1.03 -0.06 0.00 -1.33 0.00 0.00 58.87 58.59 2djr n SER 74 Cb 0.43 -1.00 -0.00 0.00 -0.75 0.00 0.00 64.21 62.88 2djr n SER 74 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2djr s SER 75 N -0.94 -0.14 0.00 -3.46 0.01 -1.26 -5.30 113.70 102.62 2djr s SER 75 Ca 0.62 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2djr s SER 75 Cb -0.79 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2djr s SER 75 CO 0.58 -1.33 0.00 0.61 0.41 0.00 0.00 173.24 173.51