#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 4.17 0.20 1.61 0.01 -1.26 -4.91 113.70 113.52 2djr s SER 2 Ca 0.00 -0.58 -0.04 0.00 1.31 0.00 0.00 55.95 56.64 2djr s SER 2 Cb 0.00 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 2djr s SER 2 CO 0.00 -3.77 0.43 -0.55 0.41 0.00 0.00 173.24 169.75 2djr s SER 3 N 9.13 6.46 0.00 2.44 0.15 -1.26 -4.76 113.70 125.86 2djr s SER 3 Ca 0.82 0.57 0.00 0.00 0.70 0.00 0.00 55.95 58.04 2djr s SER 3 Cb -0.08 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2djr s SER 3 CO 0.09 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.11 2djr n GLY 4 N -0.37 2.69 3.58 9.45 0.00 -1.26 -5.06 105.19 114.21 2djr n GLY 4 Ca -0.03 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 2djr n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2djr s SER 5 N 0.00 5.81 0.25 1.61 1.04 -1.26 -4.91 113.70 116.25 2djr s SER 5 Ca 0.00 -1.85 0.07 0.00 0.48 0.00 0.00 55.95 54.65 2djr s SER 5 Cb 0.00 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 2djr s SER 5 CO 0.00 -2.24 -0.09 -0.44 0.98 0.00 0.00 173.24 171.45 2djr s SER 6 N 5.68 2.73 -0.43 7.02 0.01 -1.26 -4.77 113.70 122.68 2djr s SER 6 Ca 0.62 -1.12 0.05 0.00 1.31 0.00 0.00 55.95 56.80 2djr s SER 6 Cb 0.01 -0.16 0.30 0.00 0.21 0.00 0.00 66.02 66.38 2djr s SER 6 CO 0.08 -0.27 1.15 0.61 0.41 0.00 0.00 173.24 175.23 2djr n GLY 7 N -0.51 -0.11 2.24 3.44 0.00 -1.26 -4.89 105.19 104.10 2djr n GLY 7 Ca -0.06 0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 0.69 7.36 0.03 1.61 7.64 -1.26 -4.40 113.62 125.28 2djr n SER 8 Ca 0.04 -3.65 -0.12 0.00 1.01 0.00 0.00 58.87 56.15 2djr n SER 8 Cb 0.70 -0.99 -0.14 0.00 -1.01 0.00 0.00 64.21 62.78 2djr n SER 8 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2djr h GLU 9 N 1.87 0.11 -0.45 1.43 4.57 -1.99 -3.32 114.58 116.81 2djr h GLU 9 Ca 0.55 -0.19 0.13 0.00 -1.18 0.00 0.00 59.36 58.67 2djr h GLU 9 Cb 0.89 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.54 2djr h GLU 9 CO 1.43 0.88 0.51 0.00 -1.18 0.00 0.00 179.01 180.65 2djr h ALA 10 N 0.75 2.15 -0.62 2.92 0.00 -1.99 0.65 119.26 123.12 2djr h ALA 10 Ca -0.22 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 54.86 2djr h ALA 10 Cb 1.96 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.76 2djr h ALA 10 CO 0.12 -0.74 0.51 -1.49 0.00 0.00 0.00 179.25 177.65 2djr h TRP 11 N 0.00 0.00 -0.09 0.00 4.06 -1.90 0.24 115.95 118.26 2djr h TRP 11 Ca 0.21 0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.19 2djr h TRP 11 Cb 1.23 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.38 2djr h TRP 11 CO 0.00 0.00 0.19 0.93 -3.56 0.00 0.00 178.44 176.00 2djr h GLU 12 N 0.00 0.00 -0.58 0.49 4.39 -1.14 0.39 114.58 118.14 2djr h GLU 12 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 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 -0.00 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.51 2djr n TYR 13 N -3.38 1.61 -3.86 4.33 4.01 0.85 -4.86 117.16 115.85 2djr n TYR 13 Ca -0.00 -0.67 -0.10 0.00 -0.16 0.00 0.00 57.90 56.97 2djr n TYR 13 Cb 0.28 -0.33 -0.08 0.00 -0.31 0.00 0.00 39.34 38.89 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 -2.22 0.11 -0.08 -0.72 0.40 0.14 0.59 117.98 116.20 2djr s PHE 14 Ca 0.51 -0.44 -0.03 0.00 -0.60 0.00 0.00 56.93 56.36 2djr s PHE 14 Cb 0.35 -0.05 0.05 0.00 0.51 0.00 0.00 43.02 43.87 2djr s PHE 14 CO 0.20 -0.48 0.17 -3.38 0.70 0.00 0.00 175.22 172.44 2djr s HIS 15 N -3.20 -0.21 0.68 0.36 -3.43 0.24 -4.78 115.29 104.95 2djr s HIS 15 Ca -0.00 0.61 -0.16 0.00 -0.80 0.00 0.00 55.06 54.71 2djr s HIS 15 Cb 0.02 -0.13 0.01 0.00 -1.43 0.00 0.00 32.58 31.05 2djr s HIS 15 CO -0.07 -0.23 1.21 -0.51 -2.00 0.00 0.00 174.74 173.14 2djr s LEU 16 N 1.74 3.44 0.18 5.38 1.43 -1.26 -0.37 118.68 129.22 2djr s LEU 16 Ca -0.03 2.38 -0.10 0.00 -1.03 0.00 0.00 54.13 55.35 2djr s LEU 16 Cb -0.12 -4.59 -0.07 0.00 0.03 0.00 0.00 46.19 41.44 2djr s LEU 16 CO -0.06 -2.03 0.51 0.00 0.23 0.00 0.00 176.35 174.99 2djr s ALA 17 N -1.83 3.62 0.72 4.21 0.00 -1.22 -4.85 121.76 122.41 2djr s ALA 17 Ca 0.76 -0.29 -0.12 0.00 0.00 0.00 0.00 51.96 52.30 2djr s ALA 17 Cb -0.30 -2.39 0.03 0.00 0.00 0.00 0.00 23.12 20.46 2djr s ALA 17 CO 0.41 0.53 1.10 -1.25 0.00 0.00 0.00 175.76 176.55 2djr s PRO 18 N -2.49 2.48 -0.30 0.00 0.04 -1.26 -4.52 135.00 128.95 2djr s PRO 18 Ca 0.43 1.27 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 2djr s PRO 18 Cb -0.12 -1.92 0.14 0.00 0.04 0.00 0.00 34.50 32.63 2djr s PRO 18 CO 0.21 -1.48 0.73 0.00 0.04 0.00 0.00 177.00 176.49 2djr s ALA 19 N -2.66 -2.18 -0.21 8.56 0.00 -1.26 -4.87 121.76 119.14 2djr s ALA 19 Ca 0.64 2.29 -0.17 0.00 0.00 0.00 0.00 51.96 54.72 2djr s ALA 19 Cb -0.19 -1.82 -0.19 0.00 0.00 0.00 0.00 23.12 20.92 2djr s ALA 19 CO 0.50 -0.91 0.11 0.54 0.00 0.00 0.00 175.76 176.00 2djr n ARG 20 N 5.29 0.61 -3.83 0.00 1.74 -1.26 -4.66 116.66 114.54 2djr n ARG 20 Ca -0.12 0.44 -0.12 0.00 -0.77 0.00 0.00 57.85 57.29 2djr n ARG 20 Cb 0.50 -1.68 -0.09 0.00 -1.02 0.00 0.00 32.46 30.17 2djr n ARG 20 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2djr s ALA 21 N -2.43 -0.50 0.00 7.54 0.00 -1.26 -4.95 121.76 120.15 2djr s ALA 21 Ca -0.30 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2djr s ALA 21 Cb 0.08 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.31 2djr s ALA 21 CO 0.60 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.53 2djr n GLY 22 N 1.31 3.01 3.36 0.00 0.00 -1.26 -5.02 105.19 106.60 2djr n GLY 22 Ca -0.22 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.34 0.73 1.61 0.00 -1.26 -5.16 115.29 110.87 2djr s HIS 23 Ca 0.00 0.20 -0.15 0.00 -3.00 0.00 0.00 55.06 52.11 2djr s HIS 23 Cb 0.00 0.33 0.04 0.00 -4.00 0.00 0.00 32.58 28.95 2djr s HIS 23 CO 0.00 -0.69 1.24 -3.38 -1.00 0.00 0.00 174.74 170.92 2djr s HIS 24 N -3.16 1.94 -2.00 0.38 0.00 -1.26 -4.73 115.29 106.47 2djr s HIS 24 Ca -0.01 1.58 0.11 0.00 -3.00 0.00 0.00 55.06 53.74 2djr s HIS 24 Cb 0.00 -3.57 0.64 0.00 -4.00 0.00 0.00 32.58 25.65 2djr s HIS 24 CO -0.07 -2.86 1.08 -0.35 -1.00 0.00 0.00 174.74 171.53 2djr n PRO 25 N -2.65 0.49 -1.22 -0.38 -0.04 -1.26 -2.92 135.00 127.02 2djr n PRO 25 Ca 0.14 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.36 2djr n PRO 25 Cb 0.49 -1.34 0.16 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.84 4.28 0.00 3.54 2.85 -1.26 -3.63 115.26 120.20 2djr n ASN 26 Ca 0.08 -3.66 0.00 0.00 -0.11 0.00 0.00 54.58 50.89 2djr n ASN 26 Cb 0.04 -0.84 0.00 0.00 1.24 0.00 0.00 39.78 40.22 2djr n ASN 26 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 2djr n GLN 27 N -1.11 0.00 -4.45 1.20 -0.06 -1.15 -4.95 117.38 106.87 2djr n GLN 27 Ca 0.58 0.47 -0.22 0.00 -2.00 0.00 0.00 57.00 55.83 2djr n GLN 27 Cb 1.46 -1.27 -0.10 0.00 -4.06 0.00 0.00 30.24 26.27 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 -2.11 2.01 -0.13 3.69 1.51 -1.26 -4.69 117.35 116.37 2djr s TYR 28 Ca 0.00 -0.75 0.00 0.00 -1.01 0.00 0.00 57.07 55.31 2djr s TYR 28 Cb 0.00 -1.21 -0.01 0.00 -0.11 0.00 0.00 41.96 40.63 2djr s TYR 28 CO 0.00 0.24 -0.15 0.00 -1.11 0.00 0.00 175.55 174.53 2djr s ALA 29 N -3.04 2.53 -0.36 3.71 0.00 0.15 -3.46 121.76 121.29 2djr s ALA 29 Ca 0.32 -0.95 -0.19 0.00 0.00 0.00 0.00 51.96 51.13 2djr s ALA 29 Cb 0.05 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 22.00 2djr s ALA 29 CO 0.13 0.16 0.57 0.99 0.00 0.00 0.00 175.76 177.61 2djr s THR 30 N 0.51 4.96 -0.11 0.00 2.01 0.50 -0.13 115.64 123.37 2djr s THR 30 Ca -0.10 0.43 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 2djr s THR 30 Cb -0.16 -4.02 -0.06 0.00 0.01 0.00 0.00 72.50 68.27 2djr s THR 30 CO 0.04 -0.27 1.87 0.00 -0.69 0.00 0.00 174.62 175.57 2djr n ARG 32 N 7.79 0.45 -0.08 0.00 1.74 0.20 -0.05 116.66 126.70 2djr n ARG 32 Ca 0.21 0.04 -0.12 0.00 -0.77 0.00 0.00 57.85 57.21 2djr n ARG 32 Cb 0.43 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.30 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 -1.88 -3.44 115.31 113.92 2djr h LEU 33 Ca 0.00 -0.36 -0.25 0.00 0.09 0.00 0.00 57.88 57.36 2djr h LEU 33 Cb 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2djr h LEU 33 CO 0.00 1.04 -1.94 0.00 0.09 0.00 0.00 178.44 177.63 2djr n GLY 35 N 2.62 1.96 3.96 0.00 0.00 0.92 -5.04 105.19 109.61 2djr n GLY 35 Ca -0.30 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.56 3.44 -0.20 1.61 0.52 -1.25 -4.77 118.95 117.75 2djr s ARG 36 Ca 0.00 -0.70 -0.19 0.00 -0.52 0.00 0.00 55.73 54.32 2djr s ARG 36 Cb 0.00 -2.90 -0.03 0.00 0.52 0.00 0.00 34.95 32.54 2djr s ARG 36 CO 0.00 0.44 0.56 -0.65 0.02 0.00 0.00 175.30 175.68 2djr s GLN 37 N -3.79 4.20 -0.07 3.54 -1.52 -1.26 -0.95 119.66 119.81 2djr s GLN 37 Ca 0.34 0.50 -0.01 0.00 -1.95 0.00 0.00 55.36 54.24 2djr s GLN 37 Cb -0.10 -3.57 0.03 0.00 -0.22 0.00 0.00 33.01 29.15 2djr s GLN 37 CO 0.29 -0.19 -0.00 0.08 -0.25 0.00 0.00 175.29 175.22 2djr s VAL 38 N 1.75 0.38 -0.17 1.09 1.01 0.82 -4.94 120.40 120.34 2djr s VAL 38 Ca 0.26 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.28 2djr s VAL 38 Cb -0.16 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2djr s VAL 38 CO 0.10 0.25 0.02 -0.55 0.00 0.00 0.00 175.10 174.92 2djr s SER 39 N 1.83 5.28 0.03 3.32 0.15 -1.26 0.34 113.70 123.38 2djr s SER 39 Ca 0.03 0.00 -0.20 0.00 0.70 0.00 0.00 55.95 56.48 2djr s SER 39 Cb -0.12 -1.87 -0.11 0.00 -1.71 0.00 0.00 66.02 62.21 2djr s SER 39 CO -0.05 0.18 1.29 0.03 1.20 0.00 0.00 173.24 175.90 2djr h ARG 40 N 6.61 -0.68 0.00 5.44 3.08 -1.94 -3.49 114.38 123.41 2djr h ARG 40 Ca -0.35 0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.74 2djr h ARG 40 Cb 1.18 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.38 2djr h ARG 40 CO 0.67 -0.45 0.00 0.41 -1.07 0.00 0.00 179.97 179.53 2djr n GLY 41 N -1.35 3.41 0.00 0.04 0.00 -1.26 -4.82 105.19 101.21 2djr n GLY 41 Ca -0.09 -1.29 0.08 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.52 0.41 -2.66 1.61 -0.04 -1.26 -4.13 135.00 127.40 2djr n PRO 42 Ca 0.00 0.04 -0.04 0.00 -0.04 0.00 0.00 63.50 63.46 2djr n PRO 42 Cb 0.00 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.04 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 -0.03 -1.91 3.61 0.55 0.00 -1.26 -5.14 105.19 101.02 2djr n GLY 43 Ca 0.10 1.08 -0.40 0.00 0.00 0.00 0.00 46.02 46.80 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 0.05 5.07 0.92 1.61 1.01 -1.26 -5.05 120.40 122.75 2djr s VAL 44 Ca 0.25 0.86 -0.13 0.00 0.00 0.00 0.00 61.98 62.96 2djr s VAL 44 Cb 0.21 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 32.80 2djr s VAL 44 CO -0.07 0.07 0.58 0.59 0.00 0.00 0.00 175.10 176.27 2djr n ASN 45 N 5.55 -1.46 -4.57 3.32 3.02 -1.26 -4.83 115.26 115.03 2djr n ASN 45 Ca -0.04 0.38 -0.41 0.00 -0.03 0.00 0.00 54.58 54.48 2djr n ASN 45 Cb 0.50 -1.27 -0.02 0.00 -0.61 0.00 0.00 39.78 38.38 2djr n ASN 45 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2djr s VAL 46 N -2.37 3.96 0.00 2.41 1.01 -1.26 -4.65 120.40 119.50 2djr s VAL 46 Ca 0.60 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2djr s VAL 46 Cb -0.23 -5.04 0.00 0.00 0.00 0.00 0.00 36.38 31.10 2djr s VAL 46 CO 0.64 -1.89 0.00 0.61 0.00 0.00 0.00 175.10 174.46 2djr n GLY 47 N 6.29 1.04 3.39 4.51 0.00 -1.26 -4.84 105.19 114.32 2djr n GLY 47 Ca 0.40 0.39 -0.35 0.00 0.00 0.00 0.00 46.02 46.46 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 2.04 -1.63 2.61 -1.04 -1.26 -4.58 114.28 110.41 2djr n THR 48 Ca 0.00 -2.00 -0.57 0.00 -2.04 0.00 0.00 64.05 59.44 2djr n THR 48 Cb 0.00 -2.24 -0.07 0.00 -1.82 0.00 0.00 70.33 66.20 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 7.01 0.10 -0.33 12.58 -1.04 -1.26 -4.74 114.28 126.60 2djr n THR 49 Ca 0.47 -0.02 0.30 0.00 -2.04 0.00 0.00 64.05 62.76 2djr n THR 49 Cb 0.44 -0.79 0.52 0.00 -1.82 0.00 0.00 70.33 68.67 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 3.46 0.98 0.03 2.41 0.00 -1.26 0.70 120.51 126.83 2djr n ALA 50 Ca 0.23 0.76 -0.11 0.00 0.00 0.00 0.00 53.44 54.31 2djr n ALA 50 Cb 0.13 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.96 -0.45 0.00 3.38 -1.94 -2.31 115.31 113.04 2djr h LEU 51 Ca 0.70 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.90 2djr h LEU 51 Cb 2.08 0.40 -0.10 0.00 0.09 0.00 0.00 40.66 43.13 2djr h LEU 51 CO -0.49 -0.36 -0.26 -0.50 0.09 0.00 0.00 178.44 176.92 2djr h TRP 52 N -0.42 -0.67 -0.89 1.13 4.06 -0.04 0.54 115.95 119.66 2djr h TRP 52 Ca 0.08 0.05 0.23 0.00 2.06 0.00 0.00 58.89 61.32 2djr h TRP 52 Cb 0.54 0.36 -0.13 0.00 -1.00 0.00 0.00 29.16 28.93 2djr h TRP 52 CO -0.37 -0.33 0.33 0.87 -3.56 0.00 0.00 178.44 175.38 2djr h LYS 53 N -0.17 0.29 -0.26 0.49 1.57 -1.41 0.43 116.57 117.53 2djr h LYS 53 Ca 0.21 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.82 2djr h LYS 53 Cb 0.49 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2djr h LYS 53 CO -0.54 0.20 -0.43 1.25 -0.57 0.00 0.00 179.45 179.35 2djr h HIS 54 N 0.30 0.79 -0.24 -1.35 2.76 -0.60 -1.12 115.15 115.70 2djr h HIS 54 Ca 0.56 -0.24 -0.03 0.00 -2.20 0.00 0.00 60.37 58.46 2djr h HIS 54 Cb 1.12 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 2djr h HIS 54 CO -0.19 0.98 0.02 -0.07 -1.30 0.00 0.00 177.93 177.37 2djr h LEU 55 N 0.53 0.39 0.00 0.26 3.38 0.13 -1.95 115.31 118.05 2djr h LEU 55 Ca 0.04 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2djr h LEU 55 Cb 0.97 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2djr h LEU 55 CO 0.09 0.58 0.00 0.29 0.09 0.00 0.00 178.44 179.49 2djr n LYS 56 N -4.68 0.04 0.03 1.13 5.02 0.66 0.16 118.16 120.52 2djr n LYS 56 Ca -0.04 0.07 -0.21 0.00 -2.02 0.00 0.00 58.31 56.11 2djr n LYS 56 Cb 0.22 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.59 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 0.44 0.00 4.39 0.87 -0.77 -3.36 113.55 115.13 2djr h SER 57 Ca 0.00 -0.89 0.00 0.00 -1.23 0.00 0.00 61.79 59.67 2djr h SER 57 Cb 0.41 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2djr h SER 57 CO 0.00 1.59 -0.90 1.15 -0.53 0.00 0.00 176.83 178.14 2djr n MET 58 N -3.93 1.29 -0.56 2.24 0.00 -0.77 -4.69 117.12 110.70 2djr n MET 58 Ca -0.22 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.46 2djr n MET 58 Cb 0.91 -0.95 0.18 0.00 0.00 0.00 0.00 33.22 33.36 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 -2.20 1.34 -0.31 3.17 8.25 0.42 -4.42 115.22 121.48 2djr n HIS 59 Ca 0.00 -0.69 0.13 0.00 -0.26 0.00 0.00 57.72 56.90 2djr n HIS 59 Cb 0.45 -0.44 0.37 0.00 1.12 0.00 0.00 29.99 31.49 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 1.63 0.68 -0.31 -0.41 2.43 -0.32 -0.18 114.38 117.89 2djr h ARG 60 Ca 0.12 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.09 2djr h ARG 60 Cb 1.57 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.96 2djr h ARG 60 CO 0.39 0.45 -0.43 0.93 -1.51 0.00 0.00 179.97 179.80 2djr h GLU 61 N 0.70 0.84 -0.43 0.20 5.08 -1.85 -2.13 114.58 116.99 2djr h GLU 61 Ca 0.51 -0.49 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2djr h GLU 61 Cb 0.86 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 2djr h GLU 61 CO -0.27 1.12 0.26 1.49 -1.00 0.00 0.00 179.01 180.62 2djr h GLU 62 N 0.62 0.58 0.36 2.33 4.57 -1.41 -1.65 114.58 119.97 2djr h GLU 62 Ca 0.03 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2djr h GLU 62 Cb 1.02 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 2djr h GLU 62 CO 0.10 0.42 -0.17 -0.07 -1.18 0.00 0.00 179.01 178.10 2djr h LEU 63 N 0.57 -0.41 -0.82 1.64 3.38 -1.20 -1.17 115.31 117.29 2djr h LEU 63 Ca 0.15 -0.10 0.18 0.00 0.09 0.00 0.00 57.88 58.21 2djr h LEU 63 Cb -0.02 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.73 2djr h LEU 63 CO -0.03 -0.13 0.30 -0.33 0.09 0.00 0.00 178.44 178.34 2djr h GLU 64 N -0.70 0.36 -0.37 1.13 5.08 -1.32 -0.21 114.58 118.56 2djr h GLU 64 Ca -0.05 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 2djr h GLU 64 Cb 0.49 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2djr h GLU 64 CO 0.08 0.24 0.02 -0.22 -1.00 0.00 0.00 179.01 178.13 2djr h LYS 65 N 0.37 0.64 -7.18 2.33 3.64 -1.20 -3.45 116.57 111.73 2djr h LYS 65 Ca 0.48 -0.19 -0.41 0.00 -1.27 0.00 0.00 60.65 59.25 2djr h LYS 65 Cb 0.84 -0.06 0.20 0.00 -0.41 0.00 0.00 32.23 32.81 2djr h LYS 65 CO -0.50 0.73 0.01 -1.12 -2.27 0.00 0.00 179.45 176.30 2djr s SER 66 N -6.11 0.37 0.13 4.20 0.01 -0.09 -4.95 113.70 107.26 2djr s SER 66 Ca -0.13 1.05 -0.13 0.00 1.31 0.00 0.00 55.95 58.05 2djr s SER 66 Cb 0.09 -1.58 -0.03 0.00 0.21 0.00 0.00 66.02 64.71 2djr s SER 66 CO 0.78 -4.51 1.51 1.23 0.41 0.00 0.00 173.24 172.66 2djr h GLY 67 N -2.84 0.87 -3.18 3.44 0.00 -1.86 -3.46 103.07 96.04 2djr h GLY 67 Ca -0.52 -0.76 -0.47 0.00 0.00 0.00 0.00 47.33 45.58 2djr h GLY 67 CO 0.41 0.69 -0.86 1.42 0.00 0.00 0.00 176.54 178.20 2djr n HIS 68 N -4.28 -2.10 0.00 5.60 8.25 -1.26 -4.78 115.22 116.65 2djr n HIS 68 Ca -0.01 0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 2djr n HIS 68 Cb 0.40 -1.33 0.00 0.00 1.12 0.00 0.00 29.99 30.18 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 1.92 0.00 3.07 -1.41 0.00 -1.26 -4.77 105.19 102.74 2djr n GLY 69 Ca 0.07 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 2djr n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2djr n GLN 70 N -0.45 3.25 -3.74 1.61 0.00 -1.26 -4.90 117.38 111.88 2djr n GLN 70 Ca 0.00 -4.51 -0.28 0.00 0.00 0.00 0.00 57.00 52.21 2djr n GLN 70 Cb 0.00 -2.45 -0.11 0.00 0.00 0.00 0.00 30.24 27.68 2djr n GLN 70 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2djr n SER 71 N 2.01 2.34 -3.84 2.61 2.88 -1.26 -4.93 113.62 113.43 2djr n SER 71 Ca 0.24 -3.06 -0.30 0.00 -1.33 0.00 0.00 58.87 54.42 2djr n SER 71 Cb 0.37 -0.71 0.01 0.00 -0.75 0.00 0.00 64.21 63.13 2djr n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djr n GLY 72 N 2.01 -0.69 3.70 0.46 0.00 -1.26 -4.88 105.19 104.53 2djr n GLY 72 Ca 0.23 0.29 -0.29 0.00 0.00 0.00 0.00 46.02 46.25 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 -6.09 0.95 -0.07 1.61 0.04 -1.26 -4.79 135.00 125.39 2djr s PRO 73 Ca 0.26 0.71 -0.25 0.00 0.04 0.00 0.00 61.00 61.76 2djr s PRO 73 Cb -0.15 -1.78 0.05 0.00 0.04 0.00 0.00 34.50 32.67 2djr s PRO 73 CO 0.69 -2.42 0.56 -1.54 0.04 0.00 0.00 177.00 174.33 2djr s SER 74 N -3.44 -0.52 -0.92 6.66 1.04 -1.26 -5.10 113.70 110.16 2djr s SER 74 Ca 0.64 0.61 -0.08 0.00 0.48 0.00 0.00 55.95 57.60 2djr s SER 74 Cb -0.18 0.58 0.23 0.00 0.10 0.00 0.00 66.02 66.75 2djr s SER 74 CO 0.57 -0.50 0.85 -0.55 0.98 0.00 0.00 173.24 174.59 2djr s SER 75 N -1.00 6.57 0.00 7.02 0.15 -1.26 -5.27 113.70 119.91 2djr s SER 75 Ca -0.10 -3.29 0.00 0.00 0.70 0.00 0.00 55.95 53.26 2djr s SER 75 Cb -0.02 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 2djr s SER 75 CO 0.07 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.77