#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 6.66 -0.18 1.61 0.15 -1.26 -4.72 113.70 115.96 2djr s SER 2 Ca 0.00 -1.94 -0.14 0.00 0.70 0.00 0.00 55.95 54.57 2djr s SER 2 Cb 0.00 -2.55 -0.21 0.00 -1.71 0.00 0.00 66.02 61.55 2djr s SER 2 CO 0.00 -1.31 0.20 -0.24 1.20 0.00 0.00 173.24 173.09 2djr n SER 3 N 8.31 1.98 0.00 5.45 2.88 -1.26 -5.00 113.62 125.98 2djr n SER 3 Ca 0.38 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 2djr n SER 3 Cb 0.49 -0.89 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 2djr n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djr n GLY 4 N 1.67 1.48 3.27 0.46 0.00 -1.26 -5.09 105.19 105.72 2djr n GLY 4 Ca -0.35 0.00 -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 -1.14 0.00 0.00 0.00 173.32 172.18 2djr n SER 5 N 0.00 -2.86 -4.14 1.61 3.41 -1.26 -5.01 113.62 105.38 2djr n SER 5 Ca 0.00 0.13 -0.24 0.00 -0.26 0.00 0.00 58.87 58.50 2djr n SER 5 Cb 0.00 -1.00 -0.16 0.00 -0.26 0.00 0.00 64.21 62.80 2djr n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2djr s SER 6 N -1.72 1.96 0.00 4.04 0.15 -1.26 -4.93 113.70 111.94 2djr s SER 6 Ca 0.52 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2djr s SER 6 Cb -0.15 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 2djr s SER 6 CO 0.69 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.92 2djr n GLY 7 N 2.85 0.00 1.30 9.45 0.00 -1.26 -4.99 105.19 112.54 2djr n GLY 7 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 3.16 0.12 1.61 7.64 -1.26 -4.12 113.62 120.77 2djr n SER 8 Ca 0.00 -2.41 -0.02 0.00 1.01 0.00 0.00 58.87 57.44 2djr n SER 8 Cb 0.00 -0.59 0.14 0.00 -1.01 0.00 0.00 64.21 62.76 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 0.29 0.03 -0.58 1.43 4.81 -2.00 -3.07 114.58 115.51 2djr h GLU 9 Ca 0.16 -0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.51 2djr h GLU 9 Cb 1.47 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.82 2djr h GLU 9 CO 0.28 0.67 0.40 0.00 -0.73 0.00 0.00 179.01 179.63 2djr h ALA 10 N 1.33 2.35 -0.46 2.92 0.00 -1.98 0.29 119.26 123.70 2djr h ALA 10 Ca -0.01 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.02 2djr h ALA 10 Cb 1.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2djr h ALA 10 CO 0.09 -0.51 0.41 -1.49 0.00 0.00 0.00 179.25 177.75 2djr h TRP 11 N 0.14 0.00 0.00 0.00 4.06 -1.87 0.21 115.95 118.49 2djr h TRP 11 Ca 0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.23 2djr h TRP 11 Cb 0.90 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.06 2djr h TRP 11 CO -0.00 0.00 0.04 0.93 -3.56 0.00 0.00 178.44 175.85 2djr h GLU 12 N 0.00 0.00 -0.32 0.49 4.39 -1.14 0.25 114.58 118.24 2djr h GLU 12 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 2djr h GLU 12 Cb 1.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 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 -2.31 1.01 -3.73 4.33 4.01 0.73 -4.88 117.16 116.31 2djr n TYR 13 Ca -0.02 -0.79 -0.13 0.00 -0.16 0.00 0.00 57.90 56.80 2djr n TYR 13 Cb 0.08 -0.29 -0.08 0.00 -0.31 0.00 0.00 39.34 38.74 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 -2.50 -0.19 -0.04 -0.72 0.40 0.88 0.33 117.98 116.14 2djr s PHE 14 Ca 0.41 0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.96 2djr s PHE 14 Cb 0.31 0.13 0.02 0.00 0.51 0.00 0.00 43.02 43.99 2djr s PHE 14 CO 0.11 -0.46 -0.04 -3.38 0.70 0.00 0.00 175.22 172.16 2djr s HIS 15 N -1.85 0.63 0.17 0.36 -3.43 0.17 -4.82 115.29 106.51 2djr s HIS 15 Ca -0.10 -0.15 -0.30 0.00 -0.80 0.00 0.00 55.06 53.71 2djr s HIS 15 Cb -0.03 -0.57 -0.07 0.00 -1.43 0.00 0.00 32.58 30.48 2djr s HIS 15 CO 0.01 -0.15 1.06 -0.51 -2.00 0.00 0.00 174.74 173.15 2djr s LEU 16 N 0.81 4.50 0.36 5.38 1.43 -1.26 -0.41 118.68 129.48 2djr s LEU 16 Ca -0.10 2.02 -0.01 0.00 -1.03 0.00 0.00 54.13 55.00 2djr s LEU 16 Cb -0.13 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 2djr s LEU 16 CO -0.00 -0.17 0.59 0.00 0.23 0.00 0.00 176.35 176.99 2djr s ALA 17 N -0.23 3.64 0.63 4.21 0.00 -1.25 -4.96 121.76 123.80 2djr s ALA 17 Ca 0.48 -0.78 -0.16 0.00 0.00 0.00 0.00 51.96 51.50 2djr s ALA 17 Cb -0.28 -2.22 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 2djr s ALA 17 CO 0.34 -0.02 1.12 -1.25 0.00 0.00 0.00 175.76 175.94 2djr s PRO 18 N -4.23 2.96 0.07 0.00 0.04 -1.26 -3.88 135.00 128.70 2djr s PRO 18 Ca 0.42 1.46 -0.24 0.00 0.04 0.00 0.00 61.00 62.67 2djr s PRO 18 Cb -0.10 -1.97 -0.16 0.00 0.04 0.00 0.00 34.50 32.31 2djr s PRO 18 CO 0.36 -1.13 1.63 0.00 0.04 0.00 0.00 177.00 177.89 2djr h ALA 19 N 0.37 -0.10 -5.30 8.56 0.00 -1.88 -3.45 119.26 117.46 2djr h ALA 19 Ca -0.48 -0.07 -0.33 0.00 0.00 0.00 0.00 54.91 54.04 2djr h ALA 19 Cb 1.25 0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.88 2djr h ALA 19 CO 0.55 -0.51 -0.48 2.89 0.00 0.00 0.00 179.25 181.71 2djr n ARG 20 N -5.09 -1.07 -3.83 0.00 -4.01 -1.26 -4.72 116.66 96.67 2djr n ARG 20 Ca -0.08 0.07 -0.01 0.00 -1.04 0.00 0.00 57.85 56.80 2djr n ARG 20 Cb 0.11 -2.97 0.01 0.00 -3.04 0.00 0.00 32.46 26.56 2djr n ARG 20 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2djr s ALA 21 N -2.23 -1.97 0.19 2.89 0.00 -1.26 -5.04 121.76 114.34 2djr s ALA 21 Ca 0.44 0.06 -0.12 0.00 0.00 0.00 0.00 51.96 52.34 2djr s ALA 21 Cb -0.26 0.69 0.11 0.00 0.00 0.00 0.00 23.12 23.66 2djr s ALA 21 CO 0.54 -1.08 1.86 0.78 0.00 0.00 0.00 175.76 177.86 2djr h GLY 22 N 2.00 0.89 -4.49 0.00 0.00 -2.03 -3.42 103.07 96.03 2djr h GLY 22 Ca -0.26 -0.33 -0.53 0.00 0.00 0.00 0.00 47.33 46.21 2djr h GLY 22 CO 0.31 0.32 0.77 -1.58 0.00 0.00 0.00 176.54 176.37 2djr s HIS 23 N -6.14 3.16 0.76 5.60 5.04 -1.26 -4.96 115.29 117.48 2djr s HIS 23 Ca -0.13 0.89 -0.16 0.00 -1.54 0.00 0.00 55.06 54.12 2djr s HIS 23 Cb 0.14 -3.77 -0.04 0.00 0.04 0.00 0.00 32.58 28.95 2djr s HIS 23 CO 0.76 -2.70 0.42 -2.39 -2.34 0.00 0.00 174.74 168.50 2djr n HIS 24 N 3.57 -1.18 -1.10 3.88 -0.00 -1.26 -4.79 115.22 114.34 2djr n HIS 24 Ca 0.11 0.32 -0.30 0.00 -0.00 0.00 0.00 57.72 57.85 2djr n HIS 24 Cb 0.41 -1.87 0.22 0.00 -0.00 0.00 0.00 29.99 28.76 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 -2.78 -0.80 -0.92 -1.40 0.04 -1.26 -4.30 135.00 123.57 2djr s PRO 25 Ca 0.63 0.09 -0.06 0.00 0.04 0.00 0.00 61.00 61.69 2djr s PRO 25 Cb -0.33 -1.63 0.01 0.00 0.04 0.00 0.00 34.50 32.59 2djr s PRO 25 CO 0.61 -3.46 0.79 -1.71 0.04 0.00 0.00 177.00 173.26 2djr n ASN 26 N -4.61 -4.95 -0.06 6.66 2.85 -1.25 -4.94 115.26 108.96 2djr n ASN 26 Ca 0.11 -0.36 -0.16 0.00 -0.11 0.00 0.00 54.58 54.06 2djr n ASN 26 Cb 0.59 -3.55 -0.14 0.00 1.24 0.00 0.00 39.78 37.92 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 -3.52 0.69 -4.32 1.20 0.00 -1.26 -4.99 117.38 105.18 2djr n GLN 27 Ca 0.00 0.19 -0.17 0.00 0.00 0.00 0.00 57.00 57.03 2djr n GLN 27 Cb 0.54 -1.64 -0.10 0.00 0.00 0.00 0.00 30.24 29.04 2djr n GLN 27 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2djr s TYR 28 N -2.54 1.53 -0.08 2.61 1.51 -1.26 -4.26 117.35 114.86 2djr s TYR 28 Ca -0.20 -0.86 0.02 0.00 -1.01 0.00 0.00 57.07 55.02 2djr s TYR 28 Cb 0.07 -0.86 0.01 0.00 -0.11 0.00 0.00 41.96 41.08 2djr s TYR 28 CO 0.75 0.02 -0.14 0.00 -1.11 0.00 0.00 175.55 175.06 2djr s ALA 29 N -3.36 1.43 -0.34 3.71 0.00 -1.18 -3.89 121.76 118.12 2djr s ALA 29 Ca 0.26 -0.53 -0.18 0.00 0.00 0.00 0.00 51.96 51.51 2djr s ALA 29 Cb 0.05 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 2djr s ALA 29 CO 0.07 0.09 0.51 0.99 0.00 0.00 0.00 175.76 177.41 2djr s THR 30 N 0.71 5.03 -0.01 0.00 2.01 0.46 0.17 115.64 124.01 2djr s THR 30 Ca -0.13 0.37 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 2djr s THR 30 Cb -0.16 -3.95 -0.07 0.00 0.01 0.00 0.00 72.50 68.34 2djr s THR 30 CO 0.03 -0.19 1.73 0.00 -0.69 0.00 0.00 174.62 175.51 2djr n ARG 32 N 7.02 1.00 -0.10 0.00 1.74 0.15 -0.50 116.66 125.98 2djr n ARG 32 Ca 0.18 -0.08 -0.18 0.00 -0.77 0.00 0.00 57.85 57.00 2djr n ARG 32 Cb 0.42 -1.50 -0.09 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 -0.93 1.86 -0.04 0.55 4.77 -1.25 -4.78 117.00 117.18 2djr n LEU 33 Ca 0.23 0.46 -0.06 0.00 -0.03 0.00 0.00 56.01 56.61 2djr n LEU 33 Cb 0.14 -0.93 -0.05 0.00 -2.33 0.00 0.00 43.42 40.26 2djr n LEU 33 CO 0.18 0.12 -0.78 0.00 -1.33 0.00 0.00 177.39 175.58 2djr n GLY 35 N 2.94 1.93 3.75 0.00 0.00 0.35 -5.04 105.19 109.12 2djr n GLY 35 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 3.08 0.18 1.61 0.52 -1.25 -4.72 118.95 117.81 2djr s ARG 36 Ca 0.00 -0.38 -0.30 0.00 -0.52 0.00 0.00 55.73 54.53 2djr s ARG 36 Cb 0.00 -2.88 -0.08 0.00 0.52 0.00 0.00 34.95 32.51 2djr s ARG 36 CO 0.00 0.70 1.06 -0.65 0.02 0.00 0.00 175.30 176.43 2djr s GLN 37 N -1.16 4.64 -0.34 3.54 -0.21 -1.26 -1.22 119.66 123.65 2djr s GLN 37 Ca 0.16 1.66 -0.01 0.00 0.02 0.00 0.00 55.36 57.20 2djr s GLN 37 Cb -0.12 -3.29 0.11 0.00 1.00 0.00 0.00 33.01 30.72 2djr s GLN 37 CO 0.06 0.15 0.15 0.08 -2.12 0.00 0.00 175.29 173.61 2djr s VAL 38 N -0.37 0.72 0.88 1.09 1.01 0.13 -4.92 120.40 118.93 2djr s VAL 38 Ca 0.48 -1.60 -0.11 0.00 0.00 0.00 0.00 61.98 60.75 2djr s VAL 38 Cb -0.28 -1.53 0.12 0.00 0.00 0.00 0.00 36.38 34.68 2djr s VAL 38 CO 0.34 -0.79 1.10 -0.94 0.00 0.00 0.00 175.10 174.81 2djr s SER 39 N 1.33 3.54 0.00 3.32 1.04 -1.26 -3.13 113.70 118.54 2djr s SER 39 Ca 0.13 1.71 0.00 0.00 0.48 0.00 0.00 55.95 58.27 2djr s SER 39 Cb -0.20 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2djr s SER 39 CO -0.17 -2.63 0.00 0.54 0.98 0.00 0.00 173.24 171.96 2djr n ARG 40 N -3.90 0.00 0.00 4.02 1.74 -1.26 -4.95 116.66 112.31 2djr n ARG 40 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2djr n ARG 40 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 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 3.46 -1.96 3.77 -0.13 0.00 -1.26 -4.85 105.19 104.22 2djr n GLY 41 Ca 0.00 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.02 3.18 -0.77 1.61 0.04 -1.26 -4.16 135.00 133.62 2djr s PRO 42 Ca 0.00 1.54 -0.02 0.00 0.04 0.00 0.00 61.00 62.56 2djr s PRO 42 Cb 0.00 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2djr s PRO 42 CO 0.00 -0.97 0.64 0.41 0.04 0.00 0.00 177.00 177.12 2djr n GLY 43 N -0.05 -1.23 0.17 0.56 0.00 -1.26 -4.94 105.19 98.43 2djr n GLY 43 Ca 0.11 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.73 2djr n GLY 43 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2djr n VAL 44 N -2.15 0.00 -1.48 1.61 0.31 -1.26 -4.87 118.33 110.48 2djr n VAL 44 Ca -0.18 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.76 2djr n VAL 44 Cb 0.62 -0.58 -0.05 0.00 -0.91 0.00 0.00 33.84 32.91 2djr n VAL 44 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2djr n ASN 45 N -2.47 2.83 -1.76 4.52 3.02 -1.26 -4.46 115.26 115.68 2djr n ASN 45 Ca 0.00 -2.70 -0.19 0.00 -0.03 0.00 0.00 54.58 51.66 2djr n ASN 45 Cb 0.44 -1.33 0.07 0.00 -0.61 0.00 0.00 39.78 38.34 2djr n ASN 45 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2djr n VAL 46 N 6.45 2.57 0.00 2.41 0.24 -1.26 -4.80 118.33 123.94 2djr n VAL 46 Ca 0.48 -3.87 0.00 0.00 -2.04 0.00 0.00 64.34 58.92 2djr n VAL 46 Cb 0.42 -0.94 0.00 0.00 -1.47 0.00 0.00 33.84 31.85 2djr n VAL 46 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2djr n GLY 47 N -0.82 1.94 3.48 7.63 0.00 -1.26 -4.91 105.19 111.24 2djr n GLY 47 Ca 0.41 -0.66 -0.44 0.00 0.00 0.00 0.00 46.02 45.33 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 4.83 -0.21 2.61 2.01 -1.26 -4.77 115.64 118.85 2djr s THR 48 Ca 0.00 -2.29 -0.38 0.00 0.31 0.00 0.00 61.69 59.33 2djr s THR 48 Cb 0.00 -4.92 -0.18 0.00 0.01 0.00 0.00 72.50 67.41 2djr s THR 48 CO 0.00 -1.66 1.17 0.41 -0.69 0.00 0.00 174.62 173.86 2djr n THR 49 N 5.07 0.00 -0.39 -0.82 -1.04 -1.26 -4.66 114.28 111.17 2djr n THR 49 Ca 0.35 0.00 0.32 0.00 -2.04 0.00 0.00 64.05 62.69 2djr n THR 49 Cb 0.45 -0.21 0.53 0.00 -1.82 0.00 0.00 70.33 69.28 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 2.38 1.11 0.28 2.41 0.00 -1.26 0.99 120.51 126.42 2djr n ALA 50 Ca 0.22 0.63 -0.16 0.00 0.00 0.00 0.00 53.44 54.13 2djr n ALA 50 Cb 0.01 -0.81 -0.08 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.76 -0.94 0.00 3.38 -1.93 -2.92 115.31 112.14 2djr h LEU 51 Ca 0.67 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.85 2djr h LEU 51 Cb 2.28 0.23 -0.16 0.00 0.09 0.00 0.00 40.66 43.10 2djr h LEU 51 CO -0.29 -0.47 -0.32 0.79 0.09 0.00 0.00 178.44 178.24 2djr n TRP 52 N -5.44 0.13 -0.30 1.13 7.02 0.28 0.12 117.44 120.37 2djr n TRP 52 Ca -0.11 1.15 0.14 0.00 -1.02 0.00 0.00 57.50 57.66 2djr n TRP 52 Cb 0.33 -0.91 0.31 0.00 -2.42 0.00 0.00 31.31 28.63 2djr n TRP 52 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 2djr h LYS 53 N 0.00 0.25 -0.21 -0.99 1.57 -1.55 0.43 116.57 116.07 2djr h LYS 53 Ca 0.37 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.95 2djr h LYS 53 Cb 0.60 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 2djr h LYS 53 CO -0.94 0.17 -0.59 1.25 -0.57 0.00 0.00 179.45 178.77 2djr h HIS 54 N 0.26 0.85 -0.55 -1.35 2.76 0.85 -0.47 115.15 117.50 2djr h HIS 54 Ca 0.57 -0.32 -0.04 0.00 -2.20 0.00 0.00 60.37 58.38 2djr h HIS 54 Cb 1.17 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.95 2djr h HIS 54 CO -0.21 1.09 0.17 -0.07 -1.30 0.00 0.00 177.93 177.61 2djr h LEU 55 N 0.50 0.80 -0.03 0.26 3.38 0.11 -2.14 115.31 118.19 2djr h LEU 55 Ca 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2djr h LEU 55 Cb 1.17 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2djr h LEU 55 CO 0.12 0.80 -0.18 0.29 0.09 0.00 0.00 178.44 179.56 2djr n LYS 56 N -4.45 0.12 0.09 1.13 5.02 0.81 0.13 118.16 121.00 2djr n LYS 56 Ca 0.02 -0.03 -0.23 0.00 -2.02 0.00 0.00 58.31 56.05 2djr n LYS 56 Cb 0.20 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.56 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 0.08 0.63 0.00 4.39 0.87 -0.52 -3.36 113.55 115.65 2djr h SER 57 Ca 0.00 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.63 2djr h SER 57 Cb 0.47 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2djr h SER 57 CO 0.00 1.60 -0.77 1.15 -0.53 0.00 0.00 176.83 178.28 2djr n MET 58 N -3.88 0.42 -0.47 2.24 0.00 -0.86 -4.71 117.12 109.86 2djr n MET 58 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.51 2djr n MET 58 Cb 0.98 -0.88 0.16 0.00 0.00 0.00 0.00 33.22 33.47 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 -2.18 1.13 -0.35 3.17 8.25 0.12 -4.42 115.22 120.94 2djr n HIS 59 Ca 0.00 -0.60 0.13 0.00 -0.26 0.00 0.00 57.72 56.99 2djr n HIS 59 Cb 0.38 -0.39 0.32 0.00 1.12 0.00 0.00 29.99 31.43 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 1.41 0.73 -0.45 -0.41 1.12 -0.51 0.92 114.38 117.19 2djr h ARG 60 Ca 0.10 -0.04 -0.12 0.00 -1.11 0.00 0.00 59.98 58.80 2djr h ARG 60 Cb 1.42 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 31.20 2djr h ARG 60 CO 0.33 0.48 -0.21 0.93 -3.11 0.00 0.00 179.97 178.39 2djr h GLU 61 N 0.75 0.91 -0.05 0.20 5.08 -1.85 -2.45 114.58 117.17 2djr h GLU 61 Ca 0.58 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2djr h GLU 61 Cb 0.92 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 2djr h GLU 61 CO -0.39 1.03 0.03 1.49 -1.00 0.00 0.00 179.01 180.17 2djr h GLU 62 N 0.79 0.06 0.44 2.33 4.57 -1.18 0.12 114.58 121.71 2djr h GLU 62 Ca 0.11 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 2djr h GLU 62 Cb 0.76 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.33 2djr h GLU 62 CO 0.06 0.05 -0.25 -0.07 -1.18 0.00 0.00 179.01 177.62 2djr h LEU 63 N 0.05 -0.61 -0.43 1.64 3.38 -1.28 0.74 115.31 118.80 2djr h LEU 63 Ca 0.02 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2djr h LEU 63 Cb 0.00 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2djr h LEU 63 CO -0.00 -0.40 0.14 -0.33 0.09 0.00 0.00 178.44 177.93 2djr h GLU 64 N -0.65 0.29 0.26 1.13 4.39 -1.38 -2.75 114.58 115.87 2djr h GLU 64 Ca -0.05 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 2djr h GLU 64 Cb 0.52 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2djr h GLU 64 CO 0.07 0.19 -0.19 -0.22 -1.16 0.00 0.00 179.01 177.69 2djr h LYS 65 N 0.30 -0.44 -7.10 2.33 3.64 -0.58 -3.43 116.57 111.28 2djr h LYS 65 Ca 0.20 0.03 -0.42 0.00 -1.27 0.00 0.00 60.65 59.19 2djr h LYS 65 Cb 0.20 0.10 0.22 0.00 -0.41 0.00 0.00 32.23 32.34 2djr h LYS 65 CO -0.22 -0.29 -0.05 -1.54 -2.27 0.00 0.00 179.45 175.08 2djr s SER 66 N -4.80 0.20 -0.33 4.20 1.04 0.24 -4.81 113.70 109.44 2djr s SER 66 Ca -0.15 1.33 -0.06 0.00 0.48 0.00 0.00 55.95 57.55 2djr s SER 66 Cb 0.06 -2.04 -0.21 0.00 0.10 0.00 0.00 66.02 63.94 2djr s SER 66 CO 0.64 -4.66 3.18 0.61 0.98 0.00 0.00 173.24 174.00 2djr n GLY 67 N 1.11 3.06 2.73 7.32 0.00 -1.26 -4.66 105.19 113.49 2djr n GLY 67 Ca 0.05 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 2djr n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2djr s HIS 68 N 1.49 2.18 0.00 1.61 3.76 -1.25 -5.03 115.29 118.06 2djr s HIS 68 Ca 0.61 -2.57 0.00 0.00 -0.15 0.00 0.00 55.06 52.95 2djr s HIS 68 Cb 0.26 -1.99 0.00 0.00 1.11 0.00 0.00 32.58 31.95 2djr s HIS 68 CO -0.01 -0.76 0.07 0.41 -0.85 0.00 0.00 174.74 173.60 2djr n GLY 69 N 3.33 0.54 3.63 -2.22 0.00 -1.26 -4.46 105.19 104.75 2djr n GLY 69 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.14 2.59 -0.40 1.61 -2.07 -1.26 -4.99 119.66 115.00 2djr s GLN 70 Ca 0.00 -0.72 0.05 0.00 -1.82 0.00 0.00 55.36 52.87 2djr s GLN 70 Cb 0.00 -2.54 0.45 0.00 -1.09 0.00 0.00 33.01 29.83 2djr s GLN 70 CO 0.00 0.60 1.34 0.45 -1.32 0.00 0.00 175.29 176.35 2djr n SER 71 N 1.34 5.42 -2.89 12.60 2.88 -1.26 -4.85 113.62 126.86 2djr n SER 71 Ca -0.14 -3.75 -0.02 0.00 -1.33 0.00 0.00 58.87 53.63 2djr n SER 71 Cb 0.52 -0.49 0.01 0.00 -0.75 0.00 0.00 64.21 63.50 2djr n SER 71 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2djr s GLY 72 N -3.22 -1.41 0.05 0.46 0.00 -1.26 -4.97 107.32 96.98 2djr s GLY 72 Ca 0.53 0.17 -0.19 0.00 0.00 0.00 0.00 44.72 45.22 2djr s GLY 72 CO -0.03 3.85 1.37 -0.56 0.00 0.00 0.00 173.10 177.73 2djr h PRO 73 N 5.57 0.44 -0.99 2.90 0.13 -1.97 -3.32 132.00 134.76 2djr h PRO 73 Ca 0.03 -0.23 -0.57 0.00 -0.87 0.00 0.00 66.00 64.36 2djr h PRO 73 Cb 1.16 0.01 -0.42 0.00 0.13 0.00 0.00 31.00 31.87 2djr h PRO 73 CO 0.01 0.80 -0.73 -1.13 -0.23 0.00 0.00 178.00 176.72 2djr n SER 74 N -4.48 4.97 -3.80 1.44 3.41 -1.26 -5.01 113.62 108.88 2djr n SER 74 Ca -0.06 -3.74 -0.12 0.00 -0.26 0.00 0.00 58.87 54.69 2djr n SER 74 Cb 0.39 -0.40 -0.11 0.00 -0.26 0.00 0.00 64.21 63.83 2djr n SER 74 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2djr s SER 75 N -3.51 -0.19 0.00 4.04 0.15 -1.25 -5.21 113.70 107.74 2djr s SER 75 Ca 0.51 0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.42 2djr s SER 75 Cb 0.41 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 2djr s SER 75 CO -0.03 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.80