#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhx n SER 2 N 0.00 1.54 -4.75 1.61 2.88 -1.26 -5.02 113.62 108.62 2dhx n SER 2 Ca 0.00 0.25 -0.35 0.00 -1.33 0.00 0.00 58.87 57.44 2dhx n SER 2 Cb 0.00 -0.56 0.05 0.00 -0.75 0.00 0.00 64.21 62.94 2dhx n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dhx s SER 3 N -6.04 5.02 1.06 -3.46 1.04 -1.26 -4.97 113.70 105.10 2dhx s SER 3 Ca -0.18 2.25 -0.22 0.00 0.48 0.00 0.00 55.95 58.28 2dhx s SER 3 Cb 0.03 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.56 2dhx s SER 3 CO 0.26 -1.70 -0.56 0.61 0.98 0.00 0.00 173.24 172.83 2dhx n GLY 4 N 0.16 -2.75 0.40 7.32 0.00 -1.26 -4.90 105.19 104.16 2dhx n GLY 4 Ca 0.12 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2dhx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dhx n SER 5 N 0.39 -0.72 -4.76 1.61 2.88 -1.26 -5.13 113.62 106.62 2dhx n SER 5 Ca -0.00 0.53 -0.38 0.00 -1.33 0.00 0.00 58.87 57.68 2dhx n SER 5 Cb 0.66 1.05 0.01 0.00 -0.75 0.00 0.00 64.21 65.18 2dhx n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dhx s SER 6 N -2.00 5.94 0.00 -3.46 0.01 -1.26 -4.87 113.70 108.06 2dhx s SER 6 Ca 0.00 2.59 0.00 0.00 1.31 0.00 0.00 55.95 59.85 2dhx s SER 6 Cb 0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2dhx s SER 6 CO 0.00 -1.10 0.00 0.61 0.41 0.00 0.00 173.24 173.16 2dhx n GLY 7 N 0.61 -0.10 4.01 3.44 0.00 -1.26 -5.17 105.19 106.71 2dhx n GLY 7 Ca 0.07 -1.05 0.03 0.00 0.00 0.00 0.00 46.02 45.07 2dhx n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dhx s GLY 8 N 0.00 -0.14 -0.13 -0.02 0.00 -1.26 -5.15 107.32 100.62 2dhx s GLY 8 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 44.72 44.78 2dhx s GLY 8 CO 0.00 6.04 -0.14 0.14 0.00 0.00 0.00 173.10 179.14 2dhx s VAL 9 N -2.02 1.52 0.02 1.40 1.01 -1.26 -5.05 120.40 116.02 2dhx s VAL 9 Ca 0.30 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.71 2dhx s VAL 9 Cb -0.00 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 2dhx s VAL 9 CO -0.01 0.45 -0.13 0.00 0.00 0.00 0.00 175.10 175.40 2dhx s ALA 10 N 1.28 1.11 -0.10 5.51 0.00 -1.26 -1.14 121.76 127.16 2dhx s ALA 10 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.25 2dhx s ALA 10 Cb -0.14 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.80 2dhx s ALA 10 CO -0.07 0.23 -0.12 0.08 0.00 0.00 0.00 175.76 175.88 2dhx s VAL 11 N -0.67 1.27 -0.23 0.00 1.01 0.34 -3.37 120.40 118.75 2dhx s VAL 11 Ca 0.02 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 2dhx s VAL 11 Cb -0.07 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 2dhx s VAL 11 CO 0.01 0.40 1.37 -0.70 0.00 0.00 0.00 175.10 176.18 2dhx s GLU 12 N 1.17 3.99 -0.14 2.72 -6.30 0.26 -0.85 118.70 119.55 2dhx s GLU 12 Ca -0.04 1.50 -0.13 0.00 -2.50 0.00 0.00 54.97 53.80 2dhx s GLU 12 Cb -0.14 -3.89 -0.05 0.00 0.00 0.00 0.00 34.13 30.06 2dhx s GLU 12 CO -0.03 -1.03 0.28 0.08 0.02 0.00 0.00 175.26 174.58 2dhx s VAL 13 N 4.29 5.30 0.04 3.70 1.01 0.94 -0.11 120.40 135.57 2dhx s VAL 13 Ca 0.60 0.53 0.04 0.00 0.00 0.00 0.00 61.98 63.15 2dhx s VAL 13 Cb -0.21 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2dhx s VAL 13 CO 0.22 0.44 -0.11 -0.60 0.00 0.00 0.00 175.10 175.05 2dhx s ARG 14 N 0.11 0.71 -0.31 2.72 3.52 0.24 -1.72 118.95 124.22 2dhx s ARG 14 Ca 0.17 -0.72 -0.00 0.00 -0.13 0.00 0.00 55.73 55.05 2dhx s ARG 14 Cb -0.13 -0.64 -0.00 0.00 -1.56 0.00 0.00 34.95 32.62 2dhx s ARG 14 CO 0.05 0.15 0.29 0.41 -0.81 0.00 0.00 175.30 175.38 2dhx n GLY 15 N 1.78 -0.55 2.84 8.12 0.00 -1.26 0.19 105.19 116.31 2dhx n GLY 15 Ca -0.19 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 2dhx n GLY 15 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dhx s LEU 16 N -2.95 0.99 0.53 0.99 2.96 -1.26 -3.89 118.68 116.04 2dhx s LEU 16 Ca 0.03 -0.12 -0.18 0.00 -0.22 0.00 0.00 54.13 53.63 2dhx s LEU 16 Cb -0.00 -0.47 -0.07 0.00 0.50 0.00 0.00 46.19 46.14 2dhx s LEU 16 CO 0.29 -0.12 1.04 -2.16 -1.32 0.00 0.00 176.35 174.08 2dhx s PRO 17 N 1.45 3.64 0.03 0.98 0.04 -1.26 -4.27 135.00 135.60 2dhx s PRO 17 Ca -0.03 1.28 -0.18 0.00 0.04 0.00 0.00 61.00 62.12 2dhx s PRO 17 Cb -0.13 -2.07 -0.21 0.00 0.04 0.00 0.00 34.50 32.12 2dhx s PRO 17 CO -0.03 -0.56 1.16 -1.00 0.04 0.00 0.00 177.00 176.62 2dhx h PRO 18 N 1.12 0.51 -1.61 0.56 0.13 -2.00 -3.14 132.00 127.57 2dhx h PRO 18 Ca -0.48 -0.50 0.47 0.00 -0.87 0.00 0.00 66.00 64.61 2dhx h PRO 18 Cb 1.22 0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.41 2dhx h PRO 18 CO 0.59 1.13 1.26 0.00 -0.23 0.00 0.00 178.00 180.75 2dhx h ALA 19 N 0.39 3.52 -2.50 -0.56 0.00 -2.01 -3.33 119.26 114.77 2dhx h ALA 19 Ca -0.07 -0.06 -0.60 0.00 0.00 0.00 0.00 54.91 54.18 2dhx h ALA 19 Cb 1.33 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 19.14 2dhx h ALA 19 CO 0.13 -2.09 0.18 0.08 0.00 0.00 0.00 179.25 177.54 2dhx s VAL 20 N -4.78 4.98 1.09 0.00 1.01 -1.19 -5.06 120.40 116.46 2dhx s VAL 20 Ca -0.05 1.20 -0.18 0.00 0.00 0.00 0.00 61.98 62.96 2dhx s VAL 20 Cb 0.23 -3.96 0.26 0.00 0.00 0.00 0.00 36.38 32.92 2dhx s VAL 20 CO 0.79 0.05 1.20 -0.81 0.00 0.00 0.00 175.10 176.33 2dhx n PRO 21 N 5.44 -2.19 -0.01 2.72 -0.04 -1.25 -4.90 135.00 134.78 2dhx n PRO 21 Ca -0.00 -1.88 -0.17 0.00 -0.04 0.00 0.00 63.50 61.41 2dhx n PRO 21 Cb 0.49 -1.48 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 2dhx n PRO 21 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2dhx h ASP 22 N -2.21 0.34 -0.75 3.54 2.03 -1.97 -3.11 116.42 114.29 2dhx h ASP 22 Ca -0.42 -0.84 0.14 0.00 -0.73 0.00 0.00 57.03 55.19 2dhx h ASP 22 Cb 1.20 -0.11 -0.14 0.00 -0.83 0.00 0.00 39.33 39.46 2dhx h ASP 22 CO 0.28 1.14 -0.22 -1.84 -1.03 0.00 0.00 179.24 177.58 2dhx n GLU 23 N -4.35 -0.10 0.10 4.15 0.00 -1.26 0.12 120.64 119.30 2dhx n GLU 23 Ca -0.11 1.17 -0.13 0.00 0.00 0.00 0.00 57.16 58.09 2dhx n GLU 23 Cb 0.62 -1.75 -0.08 0.00 0.00 0.00 0.00 31.44 30.23 2dhx n GLU 23 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2dhx h LEU 24 N 0.00 -0.22 -0.96 -1.84 3.38 -1.96 0.52 115.31 114.23 2dhx h LEU 24 Ca 0.34 -0.22 0.40 0.00 0.09 0.00 0.00 57.88 58.49 2dhx h LEU 24 Cb 0.53 0.06 -0.17 0.00 0.09 0.00 0.00 40.66 41.16 2dhx h LEU 24 CO -0.77 0.11 0.50 -0.11 0.09 0.00 0.00 178.44 178.27 2dhx n LEU 25 N -5.07 0.32 -0.08 1.67 7.94 0.32 0.12 117.00 122.22 2dhx n LEU 25 Ca -0.09 1.59 -0.16 0.00 -1.11 0.00 0.00 56.01 56.24 2dhx n LEU 25 Cb 0.23 -0.77 -0.11 0.00 0.53 0.00 0.00 43.42 43.29 2dhx n LEU 25 CO 0.32 -1.78 -0.03 0.71 -1.11 0.00 0.00 177.39 175.50 2dhx h THR 26 N 0.00 1.28 -1.64 1.96 1.35 -0.61 -2.83 112.91 112.43 2dhx h THR 26 Ca 0.81 -2.16 0.48 0.00 -0.55 0.00 0.00 66.41 64.99 2dhx h THR 26 Cb 2.13 2.62 -0.08 0.00 -1.73 0.00 0.00 68.15 71.09 2dhx h THR 26 CO -0.74 0.43 1.16 0.17 -0.25 0.00 0.00 175.52 176.29 2dhx h LEU 27 N -1.00 0.05 0.00 3.87 8.10 0.38 1.72 115.31 128.43 2dhx h LEU 27 Ca -0.14 0.03 0.00 0.00 0.11 0.00 0.00 57.88 57.87 2dhx h LEU 27 Cb 1.06 0.02 0.00 0.00 -0.44 0.00 0.00 40.66 41.30 2dhx h LEU 27 CO -0.09 -0.03 -0.09 0.22 -4.11 0.00 0.00 178.44 174.35 2dhx h TYR 28 N 0.02 0.00 -0.66 0.17 3.20 -0.41 -2.79 116.97 116.50 2dhx h TYR 28 Ca 0.81 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.78 2dhx h TYR 28 Cb 3.12 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 41.32 2dhx h TYR 28 CO -0.00 0.00 0.29 0.74 -1.64 0.00 0.00 178.16 177.54 2dhx h PHE 29 N -0.70 0.50 -0.49 -3.82 0.04 -0.84 -1.40 116.94 110.23 2dhx h PHE 29 Ca 0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 2dhx h PHE 29 Cb 0.09 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 2dhx h PHE 29 CO -0.04 0.15 0.27 0.93 -0.60 0.00 0.00 178.31 179.02 2dhx h GLU 30 N 0.49 0.69 -6.61 1.51 5.08 0.24 -3.38 114.58 112.59 2dhx h GLU 30 Ca 0.33 -0.08 -0.58 0.00 -1.00 0.00 0.00 59.36 58.04 2dhx h GLU 30 Cb 0.39 -0.13 0.08 0.00 0.50 0.00 0.00 28.75 29.59 2dhx h GLU 30 CO -0.29 0.54 0.66 0.09 -1.00 0.00 0.00 179.01 179.00 2dhx n ASN 31 N -4.66 2.92 0.01 1.42 3.02 -0.53 -4.30 115.26 113.13 2dhx n ASN 31 Ca 0.02 1.14 -0.07 0.00 -0.03 0.00 0.00 54.58 55.64 2dhx n ASN 31 Cb 0.08 -1.45 -0.13 0.00 -0.61 0.00 0.00 39.78 37.67 2dhx n ASN 31 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 2dhx h ARG 32 N 4.34 0.00 0.10 3.52 0.11 -1.83 -2.81 114.38 117.81 2dhx h ARG 32 Ca -0.45 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.48 2dhx h ARG 32 Cb 1.27 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.36 2dhx h ARG 32 CO 0.77 0.63 -0.64 0.00 0.10 0.00 0.00 179.97 180.82 2dhx h ARG 33 N 0.00 0.27 0.16 0.08 2.47 -1.92 -1.94 114.38 113.50 2dhx h ARG 33 Ca -0.19 -0.42 -0.01 0.00 -1.26 0.00 0.00 59.98 58.11 2dhx h ARG 33 Cb 1.90 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 30.37 2dhx h ARG 33 CO 0.09 1.17 -0.07 0.00 0.56 0.00 0.00 179.97 181.72 2dhx h ARG 34 N -0.43 -0.20 0.00 0.04 2.47 -1.84 -3.42 114.38 111.00 2dhx h ARG 34 Ca -0.11 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 2dhx h ARG 34 Cb 1.48 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.84 2dhx h ARG 34 CO 0.12 -0.04 0.00 0.45 0.56 0.00 0.00 179.97 181.06 2dhx n SER 35 N -5.13 0.00 0.00 7.04 2.88 -1.11 -4.99 113.62 112.32 2dhx n SER 35 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 2dhx n SER 35 Cb 0.15 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 2dhx n SER 35 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dhx n GLY 36 N 2.85 0.71 0.00 0.46 0.00 -0.73 -4.95 105.19 103.54 2dhx n GLY 36 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2dhx n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dhx n GLY 37 N 0.00 -0.70 0.00 -0.02 0.00 -1.26 -3.91 105.19 99.29 2dhx n GLY 37 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2dhx n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dhx n GLY 38 N 0.20 -0.56 3.81 -0.02 0.00 -1.26 -4.61 105.19 102.75 2dhx n GLY 38 Ca 0.00 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 2dhx n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dhx s PRO 39 N -1.01 3.37 -0.24 1.61 0.04 -1.26 -3.94 135.00 133.58 2dhx s PRO 39 Ca 0.00 1.16 -0.08 0.00 0.04 0.00 0.00 61.00 62.12 2dhx s PRO 39 Cb 0.00 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2dhx s PRO 39 CO 0.00 -0.77 0.09 0.08 0.04 0.00 0.00 177.00 176.44 2dhx s VAL 40 N -2.51 4.59 0.05 -0.36 1.01 -1.26 -2.37 120.40 119.55 2dhx s VAL 40 Ca 0.63 -0.08 -0.27 0.00 0.00 0.00 0.00 61.98 62.26 2dhx s VAL 40 Cb -0.15 -3.14 -0.17 0.00 0.00 0.00 0.00 36.38 32.92 2dhx s VAL 40 CO 0.37 0.35 1.51 0.25 0.00 0.00 0.00 175.10 177.59 2dhx h LEU 41 N 7.88 -0.32 -8.14 3.92 5.85 -1.53 -3.44 115.31 119.54 2dhx h LEU 41 Ca -0.37 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.16 2dhx h LEU 41 Cb 1.18 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2dhx h LEU 41 CO 0.60 -0.10 0.16 -0.55 -0.34 0.00 0.00 178.44 178.21 2dhx s SER 42 N -4.98 0.28 -0.12 1.25 0.15 -0.93 -4.97 113.70 104.38 2dhx s SER 42 Ca -0.15 -1.28 -0.05 0.00 0.70 0.00 0.00 55.95 55.17 2dhx s SER 42 Cb 0.04 0.82 0.06 0.00 -1.71 0.00 0.00 66.02 65.22 2dhx s SER 42 CO 0.61 -1.63 0.27 0.86 1.20 0.00 0.00 173.24 174.56 2dhx s TRP 43 N -2.36 -0.41 -0.40 3.44 -0.00 -1.26 -1.49 118.94 116.45 2dhx s TRP 43 Ca 0.20 0.94 0.00 0.00 -0.00 0.00 0.00 56.10 57.24 2dhx s TRP 43 Cb -0.04 0.04 0.11 0.00 -0.00 0.00 0.00 33.47 33.58 2dhx s TRP 43 CO 0.14 -0.30 0.16 -1.14 -0.00 0.00 0.00 176.95 175.81 2dhx s GLN 44 N 1.82 1.83 0.02 5.86 0.74 0.35 -4.98 119.66 125.30 2dhx s GLN 44 Ca -0.05 -1.92 -0.30 0.00 0.05 0.00 0.00 55.36 53.15 2dhx s GLN 44 Cb -0.11 -3.44 -0.04 0.00 1.10 0.00 0.00 33.01 30.52 2dhx s GLN 44 CO -0.09 -1.03 0.96 0.50 -0.55 0.00 0.00 175.29 175.07 2dhx s ARG 45 N 0.93 4.58 0.00 1.67 3.52 -1.26 0.15 118.95 128.54 2dhx s ARG 45 Ca 0.10 1.39 0.00 0.00 -0.13 0.00 0.00 55.73 57.09 2dhx s ARG 45 Cb -0.21 -3.44 0.00 0.00 -1.56 0.00 0.00 34.95 29.74 2dhx s ARG 45 CO -0.05 0.02 0.00 1.28 -0.81 0.00 0.00 175.30 175.74 2dhx n LEU 46 N 3.62 0.00 -4.55 -0.88 4.77 -0.31 -4.89 117.00 114.76 2dhx n LEU 46 Ca 0.05 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.64 2dhx n LEU 46 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2dhx n LEU 46 CO 0.51 0.00 1.64 -0.83 -1.33 0.00 0.00 177.39 177.39 2dhx s GLY 47 N 0.00 0.18 0.00 -0.72 0.00 -1.26 -4.24 107.32 101.27 2dhx s GLY 47 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.20 2dhx s GLY 47 CO 0.00 3.48 0.00 0.00 0.00 0.00 0.00 173.10 176.58 2dhx n GLY 49 N 0.00 0.87 0.00 0.00 0.00 -1.26 -4.30 105.19 100.50 2dhx n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2dhx n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dhx n GLY 50 N 5.00 2.25 3.70 -0.02 0.00 -0.70 -1.16 105.19 114.26 2dhx n GLY 50 Ca 0.00 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 2dhx n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dhx s VAL 51 N -1.60 5.30 0.13 1.61 1.01 0.40 -0.04 120.40 127.20 2dhx s VAL 51 Ca 0.00 0.48 0.06 0.00 0.00 0.00 0.00 61.98 62.53 2dhx s VAL 51 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2dhx s VAL 51 CO 0.00 0.34 -0.02 -0.22 0.00 0.00 0.00 175.10 175.20 2dhx s LEU 52 N 0.82 3.31 -0.07 3.92 0.20 -0.03 0.13 118.68 126.96 2dhx s LEU 52 Ca 0.15 -0.32 0.05 0.00 0.69 0.00 0.00 54.13 54.69 2dhx s LEU 52 Cb -0.13 -2.02 -0.00 0.00 -0.43 0.00 0.00 46.19 43.61 2dhx s LEU 52 CO 0.05 0.13 -0.22 -0.89 -0.29 0.00 0.00 176.35 175.13 2dhx s THR 53 N -1.49 1.84 -0.11 3.68 2.01 -0.56 0.13 115.64 121.15 2dhx s THR 53 Ca 0.26 -0.92 -0.03 0.00 0.31 0.00 0.00 61.69 61.31 2dhx s THR 53 Cb -0.10 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 2dhx s THR 53 CO 0.18 0.51 0.00 -0.36 -0.69 0.00 0.00 174.62 174.26 2dhx s PHE 54 N 0.15 3.15 0.10 4.92 0.40 -0.29 -1.57 117.98 124.84 2dhx s PHE 54 Ca -0.11 0.10 -0.25 0.00 -0.60 0.00 0.00 56.93 56.07 2dhx s PHE 54 Cb -0.15 -1.85 -0.08 0.00 0.51 0.00 0.00 43.02 41.45 2dhx s PHE 54 CO 0.05 0.35 1.42 -0.09 0.70 0.00 0.00 175.22 177.66 2dhx h ARG 55 N 5.58 -0.26 -6.20 0.44 2.43 -1.76 -3.39 114.38 111.23 2dhx h ARG 55 Ca -0.46 0.02 -0.49 0.00 -0.81 0.00 0.00 59.98 58.24 2dhx h ARG 55 Cb 1.19 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.76 2dhx h ARG 55 CO 0.57 -0.17 -0.49 -1.21 -1.51 0.00 0.00 179.97 177.16 2dhx s GLU 56 N -5.02 3.10 -0.02 0.20 0.41 -1.26 -4.82 118.70 111.28 2dhx s GLU 56 Ca -0.11 -0.96 -0.22 0.00 -0.41 0.00 0.00 54.97 53.27 2dhx s GLU 56 Cb 0.07 -2.68 -0.22 0.00 -1.78 0.00 0.00 34.13 29.51 2dhx s GLU 56 CO 0.47 0.40 1.09 -1.00 -0.49 0.00 0.00 175.26 175.73 2dhx h PRO 57 N 1.36 0.27 -0.53 0.39 0.13 -1.96 -2.44 132.00 129.22 2dhx h PRO 57 Ca -0.50 -0.27 -0.01 0.00 -0.87 0.00 0.00 66.00 64.36 2dhx h PRO 57 Cb 1.24 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 2dhx h PRO 57 CO 0.61 0.96 0.29 0.00 -0.23 0.00 0.00 178.00 179.62 2dhx h ALA 58 N 0.32 0.69 -0.77 -0.56 0.00 -1.97 0.21 119.26 117.18 2dhx h ALA 58 Ca -0.04 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.82 2dhx h ALA 58 Cb 1.06 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 2dhx h ALA 58 CO 0.07 0.22 0.47 -0.44 0.00 0.00 0.00 179.25 179.57 2dhx h ASP 59 N 0.72 0.75 -0.20 0.00 3.32 -1.81 1.50 116.42 120.69 2dhx h ASP 59 Ca 0.19 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 2dhx h ASP 59 Cb 0.06 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2dhx h ASP 59 CO -0.03 0.50 -0.22 0.00 -1.72 0.00 0.00 179.24 177.77 2dhx h ALA 60 N 1.36 0.99 -0.05 3.45 0.00 -0.87 -2.70 119.26 121.42 2dhx h ALA 60 Ca 0.33 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2dhx h ALA 60 Cb 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2dhx h ALA 60 CO -0.15 0.60 -0.76 0.93 0.00 0.00 0.00 179.25 179.86 2dhx h GLU 61 N 0.57 0.35 0.00 0.00 4.39 1.00 -2.06 114.58 118.84 2dhx h GLU 61 Ca 0.08 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.48 2dhx h GLU 61 Cb 0.69 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2dhx h GLU 61 CO 0.05 0.96 0.00 0.00 -1.16 0.00 0.00 179.01 178.86 2dhx h ARG 62 N 0.23 0.00 0.05 2.33 2.47 0.23 0.38 114.38 120.08 2dhx h ARG 62 Ca -0.04 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.34 2dhx h ARG 62 Cb 1.35 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.63 2dhx h ARG 62 CO 0.13 0.00 -1.93 0.28 0.56 0.00 0.00 179.97 179.01 2dhx n VAL 63 N -2.98 1.63 -0.31 2.04 0.31 -1.08 -4.19 118.33 113.76 2dhx n VAL 63 Ca -0.02 -0.42 0.03 0.00 -0.01 0.00 0.00 64.34 63.92 2dhx n VAL 63 Cb 0.12 -1.79 0.23 0.00 -0.91 0.00 0.00 33.84 31.49 2dhx n VAL 63 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2dhx h LEU 64 N -0.39 0.93 -1.74 7.52 3.38 -0.80 -0.78 115.31 123.44 2dhx h LEU 64 Ca -0.46 0.00 0.53 0.00 0.09 0.00 0.00 57.88 58.04 2dhx h LEU 64 Cb 1.75 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 42.21 2dhx h LEU 64 CO -0.09 0.60 1.22 0.00 0.09 0.00 0.00 178.44 180.26 2dhx n ALA 65 N -2.39 1.68 -2.57 1.53 0.00 0.07 -3.69 120.51 115.13 2dhx n ALA 65 Ca 0.14 0.70 -0.42 0.00 0.00 0.00 0.00 53.44 53.86 2dhx n ALA 65 Cb 0.18 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 2dhx n ALA 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2dhx s GLN 66 N -4.91 3.70 0.00 0.00 0.74 -0.30 -4.89 119.66 114.00 2dhx s GLN 66 Ca -0.06 0.09 0.23 0.00 0.05 0.00 0.00 55.36 55.68 2dhx s GLN 66 Cb 0.27 -3.80 1.38 0.00 1.10 0.00 0.00 33.01 31.96 2dhx s GLN 66 CO 0.84 -0.73 1.86 0.00 -0.55 0.00 0.00 175.29 176.71 2dhx n ALA 67 N 6.06 2.59 -2.60 1.58 0.00 -1.24 -4.73 120.51 122.17 2dhx n ALA 67 Ca -0.01 -0.15 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 2dhx n ALA 67 Cb 0.49 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.43 2dhx n ALA 67 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2dhx s ASP 68 N -1.77 2.07 -0.15 0.00 2.15 -1.26 -4.79 116.67 112.92 2dhx s ASP 68 Ca 0.35 -0.57 -0.11 0.00 0.43 0.00 0.00 52.55 52.65 2dhx s ASP 68 Cb 0.16 -0.12 0.04 0.00 -0.30 0.00 0.00 42.92 42.70 2dhx s ASP 68 CO 0.27 0.04 0.38 -1.00 -0.17 0.00 0.00 175.17 174.69 2dhx s HIS 69 N -1.02 -0.47 -0.13 -5.34 3.76 -1.23 -5.00 115.29 105.86 2dhx s HIS 69 Ca 0.03 1.08 0.02 0.00 -0.15 0.00 0.00 55.06 56.05 2dhx s HIS 69 Cb -0.09 0.17 0.01 0.00 1.11 0.00 0.00 32.58 33.78 2dhx s HIS 69 CO 0.02 -0.25 -0.21 -2.00 -0.85 0.00 0.00 174.74 171.46 2dhx s GLU 70 N 0.67 2.85 -0.30 1.40 2.12 -1.26 -1.11 118.70 123.08 2dhx s GLU 70 Ca -0.04 -0.79 -0.01 0.00 0.36 0.00 0.00 54.97 54.49 2dhx s GLU 70 Cb -0.05 -2.33 0.13 0.00 0.26 0.00 0.00 34.13 32.14 2dhx s GLU 70 CO -0.05 -0.03 0.24 -1.17 -0.54 0.00 0.00 175.26 173.72 2dhx s LEU 71 N 0.87 0.07 -1.10 2.70 2.96 -1.07 -4.91 118.68 118.19 2dhx s LEU 71 Ca -0.07 -1.04 -0.09 0.00 -0.22 0.00 0.00 54.13 52.72 2dhx s LEU 71 Cb -0.15 0.20 -0.05 0.00 0.50 0.00 0.00 46.19 46.69 2dhx s LEU 71 CO -0.02 -0.39 0.88 1.41 -1.32 0.00 0.00 176.35 176.91 2dhx n HIS 72 N 5.17 -2.28 -3.02 5.38 8.25 -1.26 -3.95 115.22 123.50 2dhx n HIS 72 Ca -0.02 0.77 -0.12 0.00 -0.26 0.00 0.00 57.72 58.09 2dhx n HIS 72 Cb 0.44 -4.06 0.01 0.00 1.12 0.00 0.00 29.99 27.51 2dhx n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dhx n GLY 73 N -1.35 -1.55 0.00 -1.41 0.00 -1.26 -5.01 105.19 94.61 2dhx n GLY 73 Ca -0.11 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.75 2dhx n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dhx n ALA 74 N 0.24 0.00 -2.92 4.61 0.00 -1.25 -5.06 120.51 116.13 2dhx n ALA 74 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.03 2dhx n ALA 74 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 2dhx n ALA 74 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2dhx s GLN 75 N -0.30 3.30 -0.05 0.00 -0.21 -1.25 -2.61 119.66 118.52 2dhx s GLN 75 Ca 0.00 -1.26 -0.30 0.00 0.02 0.00 0.00 55.36 53.82 2dhx s GLN 75 Cb 0.00 -4.51 -0.03 0.00 1.00 0.00 0.00 33.01 29.47 2dhx s GLN 75 CO 0.00 -1.77 1.12 -0.51 -2.12 0.00 0.00 175.29 172.01 2dhx s LEU 76 N 3.35 4.29 -0.62 2.90 2.01 -0.27 -4.84 118.68 125.50 2dhx s LEU 76 Ca 0.25 1.73 -0.20 0.00 0.01 0.00 0.00 54.13 55.92 2dhx s LEU 76 Cb -0.13 -3.56 0.10 0.00 0.01 0.00 0.00 46.19 42.61 2dhx s LEU 76 CO 0.02 -0.49 0.78 -0.44 1.01 0.00 0.00 176.35 177.23 2dhx s SER 77 N 1.26 6.19 0.16 2.29 0.01 0.51 -3.49 113.70 120.64 2dhx s SER 77 Ca 0.53 -1.35 -0.18 0.00 1.31 0.00 0.00 55.95 56.27 2dhx s SER 77 Cb -0.23 -2.33 -0.07 0.00 0.21 0.00 0.00 66.02 63.59 2dhx s SER 77 CO 0.22 -1.20 0.63 -0.76 0.41 0.00 0.00 173.24 172.55 2dhx s LEU 78 N 3.02 4.38 0.15 2.44 2.01 -1.26 0.79 118.68 130.20 2dhx s LEU 78 Ca 0.15 1.27 -0.15 0.00 0.01 0.00 0.00 54.13 55.41 2dhx s LEU 78 Cb -0.22 -3.33 0.02 0.00 0.01 0.00 0.00 46.19 42.68 2dhx s LEU 78 CO 0.07 0.11 0.39 -0.13 1.01 0.00 0.00 176.35 177.80 2dhx s ARG 79 N -1.78 1.14 -0.20 1.70 0.52 0.85 -4.94 118.95 116.24 2dhx s ARG 79 Ca 0.38 -0.84 -0.29 0.00 -0.52 0.00 0.00 55.73 54.46 2dhx s ARG 79 Cb -0.17 0.46 -0.01 0.00 0.52 0.00 0.00 34.95 35.75 2dhx s ARG 79 CO 0.20 -0.45 1.29 -1.25 0.02 0.00 0.00 175.30 175.12 2dhx s PRO 80 N -3.85 4.13 0.93 3.54 0.04 -1.26 0.92 135.00 139.45 2dhx s PRO 80 Ca 0.07 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.56 2dhx s PRO 80 Cb 0.02 -3.81 0.15 0.00 0.04 0.00 0.00 34.50 30.90 2dhx s PRO 80 CO -0.08 -0.84 1.09 0.00 0.04 0.00 0.00 177.00 177.21 2dhx s ALA 81 N 3.80 1.29 0.33 8.56 0.00 -1.22 -4.59 121.76 129.94 2dhx s ALA 81 Ca 0.56 0.03 -0.27 0.00 0.00 0.00 0.00 51.96 52.28 2dhx s ALA 81 Cb -0.21 -3.24 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 2dhx s ALA 81 CO 0.18 -2.58 1.07 -1.25 0.00 0.00 0.00 175.76 173.17 2dhx s PRO 82 N -4.83 4.45 -0.75 0.00 0.04 -1.26 -4.87 135.00 127.78 2dhx s PRO 82 Ca 0.64 1.66 -0.06 0.00 0.04 0.00 0.00 61.00 63.28 2dhx s PRO 82 Cb -0.19 -2.92 -0.12 0.00 0.04 0.00 0.00 34.50 31.31 2dhx s PRO 82 CO 0.58 0.08 2.63 -0.35 0.04 0.00 0.00 177.00 179.98 2dhx n PRO 83 N 0.67 2.29 -4.43 0.56 -0.04 -1.26 -4.80 135.00 127.98 2dhx n PRO 83 Ca 0.01 -1.38 -0.22 0.00 -0.04 0.00 0.00 63.50 61.88 2dhx n PRO 83 Cb 0.47 -2.32 -0.14 0.00 -0.04 0.00 0.00 33.50 31.48 2dhx n PRO 83 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2dhx s ARG 84 N 2.33 1.06 -0.10 0.54 3.52 -1.26 -5.14 118.95 119.90 2dhx s ARG 84 Ca 0.52 -0.80 -0.30 0.00 -0.13 0.00 0.00 55.73 55.01 2dhx s ARG 84 Cb 0.18 -1.10 0.11 0.00 -1.56 0.00 0.00 34.95 32.58 2dhx s ARG 84 CO -0.03 0.28 0.93 0.00 -0.81 0.00 0.00 175.30 175.66 2dhx s ALA 85 N -0.83 -1.88 -0.27 6.12 0.00 -1.26 -5.13 121.76 118.51 2dhx s ALA 85 Ca 0.03 1.40 -0.29 0.00 0.00 0.00 0.00 51.96 53.10 2dhx s ALA 85 Cb -0.08 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.72 2dhx s ALA 85 CO 0.01 -0.42 1.33 -1.25 0.00 0.00 0.00 175.76 175.44 2dhx s PRO 86 N -1.65 3.96 -0.17 0.00 0.04 -1.26 -4.98 135.00 130.94 2dhx s PRO 86 Ca -0.01 1.36 -0.06 0.00 0.04 0.00 0.00 61.00 62.33 2dhx s PRO 86 Cb -0.01 -3.88 0.08 0.00 0.04 0.00 0.00 34.50 30.74 2dhx s PRO 86 CO -0.00 -1.07 0.36 0.00 0.04 0.00 0.00 177.00 176.33 2dhx s ALA 87 N 4.31 -0.92 -0.54 8.56 0.00 -1.26 -5.10 121.76 126.81 2dhx s ALA 87 Ca 0.58 1.27 0.01 0.00 0.00 0.00 0.00 51.96 53.82 2dhx s ALA 87 Cb -0.18 -1.21 0.14 0.00 0.00 0.00 0.00 23.12 21.87 2dhx s ALA 87 CO 0.22 -0.72 0.31 1.03 0.00 0.00 0.00 175.76 176.60 2dhx s ARG 88 N 2.54 2.16 -0.24 0.00 1.81 -1.26 -5.01 118.95 118.94 2dhx s ARG 88 Ca -0.00 -2.49 -0.02 0.00 -1.72 0.00 0.00 55.73 51.49 2dhx s ARG 88 Cb -0.12 -3.48 0.12 0.00 -0.45 0.00 0.00 34.95 31.02 2dhx s ARG 88 CO -0.11 -1.12 0.31 -0.51 -0.68 0.00 0.00 175.30 173.19 2dhx s LEU 89 N -0.04 -0.40 -0.36 2.53 1.43 -1.26 -5.08 118.68 115.51 2dhx s LEU 89 Ca 0.16 -0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 2dhx s LEU 89 Cb -0.23 0.76 0.18 0.00 0.03 0.00 0.00 46.19 46.94 2dhx s LEU 89 CO -0.02 -0.33 0.86 -0.76 0.23 0.00 0.00 176.35 176.33 2dhx s LEU 90 N 2.44 -0.87 -0.08 1.79 1.43 -1.26 -5.13 118.68 117.01 2dhx s LEU 90 Ca 0.10 -0.40 -0.38 0.00 -1.03 0.00 0.00 54.13 52.43 2dhx s LEU 90 Cb -0.15 1.14 -0.15 0.00 0.03 0.00 0.00 46.19 47.05 2dhx s LEU 90 CO -0.19 -0.10 1.59 0.18 0.23 0.00 0.00 176.35 178.06 2dhx n LEU 91 N 4.11 2.28 -4.56 1.79 7.99 -1.26 -4.75 117.00 122.60 2dhx n LEU 91 Ca 0.08 1.08 -0.26 0.00 -0.01 0.00 0.00 56.01 56.90 2dhx n LEU 91 Cb 0.60 -1.21 -0.05 0.00 -0.11 0.00 0.00 43.42 42.65 2dhx n LEU 91 CO -0.06 -0.61 1.54 -1.58 -1.51 0.00 0.00 177.39 175.17 2dhx s GLN 92 N 2.21 2.04 0.00 3.23 -0.44 -1.26 -4.72 119.66 120.73 2dhx s GLN 92 Ca 0.91 0.67 0.00 0.00 -2.50 0.00 0.00 55.36 54.44 2dhx s GLN 92 Cb -0.95 -4.71 0.00 0.00 -1.64 0.00 0.00 33.01 25.70 2dhx s GLN 92 CO 0.55 -3.69 0.00 0.41 0.50 0.00 0.00 175.29 173.06 2dhx n GLY 93 N 6.42 -0.08 3.47 2.59 0.00 -1.26 -5.18 105.19 111.15 2dhx n GLY 93 Ca 0.39 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 2dhx n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dhx s LEU 94 N 0.00 -0.51 0.92 0.99 1.02 -1.26 -5.18 118.68 114.66 2dhx s LEU 94 Ca 0.00 0.16 -0.12 0.00 0.02 0.00 0.00 54.13 54.19 2dhx s LEU 94 Cb 0.00 2.37 0.14 0.00 0.02 0.00 0.00 46.19 48.72 2dhx s LEU 94 CO 0.00 -0.76 1.14 -2.16 0.02 0.00 0.00 176.35 174.59 2dhx s PRO 95 N -2.90 1.08 1.09 1.29 0.04 -1.26 -5.06 135.00 129.28 2dhx s PRO 95 Ca -0.00 0.27 -0.18 0.00 0.04 0.00 0.00 61.00 61.13 2dhx s PRO 95 Cb -0.01 -1.83 0.25 0.00 0.04 0.00 0.00 34.50 32.95 2dhx s PRO 95 CO -0.07 -2.24 1.22 -1.25 0.04 0.00 0.00 177.00 174.71 2dhx s PRO 96 N -5.29 -0.38 -0.40 0.56 0.04 -1.26 -5.08 135.00 123.19 2dhx s PRO 96 Ca 0.64 -0.28 0.02 0.00 0.04 0.00 0.00 61.00 61.41 2dhx s PRO 96 Cb -0.14 -1.71 0.19 0.00 0.04 0.00 0.00 34.50 32.87 2dhx s PRO 96 CO 0.53 -3.12 0.80 0.20 0.04 0.00 0.00 177.00 175.46 2dhx s GLY 97 N -4.43 -1.40 -0.29 0.56 0.00 -1.26 -5.14 107.32 95.35 2dhx s GLY 97 Ca 0.73 0.46 -0.20 0.00 0.00 0.00 0.00 44.72 45.71 2dhx s GLY 97 CO 0.55 3.91 1.00 -1.08 0.00 0.00 0.00 173.10 177.47 2dhx s THR 98 N 1.66 0.00 -0.30 0.90 -1.32 -1.26 -5.16 115.64 110.17 2dhx s THR 98 Ca 0.18 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.47 2dhx s THR 98 Cb 0.00 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.19 2dhx s THR 98 CO -0.09 0.00 1.32 -0.44 -2.21 0.00 0.00 174.62 173.19 2dhx s SER 99 N 0.80 -0.02 -0.41 8.08 0.01 -1.26 -5.11 113.70 115.79 2dhx s SER 99 Ca -0.03 0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.26 2dhx s SER 99 Cb -0.04 1.02 0.24 0.00 0.21 0.00 0.00 66.02 67.45 2dhx s SER 99 CO -0.11 -0.00 1.03 0.61 0.41 0.00 0.00 173.24 175.18 2dhx n GLY 100 N 4.45 -1.05 3.59 3.44 0.00 -1.26 -5.17 105.19 109.19 2dhx n GLY 100 Ca -0.07 0.73 -0.29 0.00 0.00 0.00 0.00 46.02 46.39 2dhx n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dhx n PRO 101 N 1.97 -2.16 -3.57 1.61 -0.04 -1.26 -5.10 135.00 126.45 2dhx n PRO 101 Ca 0.08 -1.85 -0.08 0.00 -0.04 0.00 0.00 63.50 61.60 2dhx n PRO 101 Cb 0.65 -1.46 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 2dhx n PRO 101 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dhx s SER 102 N -5.07 -0.38 0.08 3.54 1.04 -1.26 -5.19 113.70 106.47 2dhx s SER 102 Ca 0.71 -0.15 -0.26 0.00 0.48 0.00 0.00 55.95 56.74 2dhx s SER 102 Cb -0.04 0.51 0.08 0.00 0.10 0.00 0.00 66.02 66.67 2dhx s SER 102 CO 0.52 -0.86 0.72 -0.94 0.98 0.00 0.00 173.24 173.66 2dhx s SER 103 N -2.70 -0.50 0.00 7.02 1.04 -1.26 -5.37 113.70 111.93 2dhx s SER 103 Ca 0.06 0.06 0.31 0.00 0.48 0.00 0.00 55.95 56.87 2dhx s SER 103 Cb -0.02 0.51 1.88 0.00 0.10 0.00 0.00 66.02 68.49 2dhx s SER 103 CO -0.06 -0.80 2.20 0.61 0.98 0.00 0.00 173.24 176.16