#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhx s SER 2 N 0.00 0.02 0.10 1.61 0.01 -1.26 -5.15 113.70 109.03 2dhx s SER 2 Ca 0.00 0.07 -0.01 0.00 1.31 0.00 0.00 55.95 57.32 2dhx s SER 2 Cb 0.00 1.28 -0.04 0.00 0.21 0.00 0.00 66.02 67.47 2dhx s SER 2 CO 0.00 -0.32 0.27 -0.44 0.41 0.00 0.00 173.24 173.17 2dhx s SER 3 N 2.60 6.38 0.00 2.44 0.01 -1.26 -5.03 113.70 118.84 2dhx s SER 3 Ca 0.12 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.71 2dhx s SER 3 Cb -0.14 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.11 2dhx s SER 3 CO -0.22 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2dhx n GLY 4 N 0.02 3.49 3.12 3.44 0.00 -1.26 -5.07 105.19 108.93 2dhx n GLY 4 Ca -0.05 -0.50 -0.07 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 -6.81 -4.43 1.61 2.88 -1.26 -4.90 113.62 100.71 2dhx n SER 5 Ca 0.00 0.55 -0.44 0.00 -1.33 0.00 0.00 58.87 57.65 2dhx n SER 5 Cb 0.00 -2.65 -0.09 0.00 -0.75 0.00 0.00 64.21 60.72 2dhx n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dhx s SER 6 N -1.31 6.13 0.00 -3.46 0.15 -1.26 -4.92 113.70 109.03 2dhx s SER 6 Ca 0.08 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 55.68 2dhx s SER 6 Cb -0.01 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 2dhx s SER 6 CO 0.36 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2dhx n GLY 7 N 5.17 2.90 0.00 9.45 0.00 -1.26 -4.57 105.19 116.88 2dhx n GLY 7 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2dhx n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dhx n GLY 8 N 0.00 3.16 3.03 -0.02 0.00 -1.26 -5.15 105.19 104.96 2dhx n GLY 8 Ca 0.00 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 2dhx n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dhx s VAL 9 N 3.94 1.15 0.02 1.61 1.01 -1.26 -5.02 120.40 121.85 2dhx s VAL 9 Ca 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2dhx s VAL 9 Cb 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 2dhx s VAL 9 CO 0.00 0.36 -0.06 0.00 0.00 0.00 0.00 175.10 175.40 2dhx s ALA 10 N 0.59 0.43 -0.12 5.51 0.00 -1.26 -1.93 121.76 124.99 2dhx s ALA 10 Ca -0.13 -0.48 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 2dhx s ALA 10 Cb -0.15 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 22.98 2dhx s ALA 10 CO 0.04 0.02 -0.08 0.08 0.00 0.00 0.00 175.76 175.81 2dhx s VAL 11 N -0.79 1.09 -0.44 0.00 1.01 0.43 -3.62 120.40 118.08 2dhx s VAL 11 Ca -0.05 -0.33 -0.28 0.00 0.00 0.00 0.00 61.98 61.31 2dhx s VAL 11 Cb -0.06 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.23 2dhx s VAL 11 CO 0.00 0.38 1.46 -0.70 0.00 0.00 0.00 175.10 176.24 2dhx s GLU 12 N 1.67 3.47 -0.06 2.72 2.12 0.45 -0.23 118.70 128.84 2dhx s GLU 12 Ca 0.05 0.88 -0.20 0.00 0.36 0.00 0.00 54.97 56.06 2dhx s GLU 12 Cb -0.13 -4.07 -0.05 0.00 0.26 0.00 0.00 34.13 30.15 2dhx s GLU 12 CO -0.08 -1.70 0.56 0.08 -0.54 0.00 0.00 175.26 173.57 2dhx s VAL 13 N 5.81 5.04 0.04 3.70 1.01 0.48 -0.37 120.40 136.12 2dhx s VAL 13 Ca 0.61 1.16 0.04 0.00 0.00 0.00 0.00 61.98 63.79 2dhx s VAL 13 Cb -0.14 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2dhx s VAL 13 CO 0.31 0.36 -0.12 -0.60 0.00 0.00 0.00 175.10 175.05 2dhx s ARG 14 N 0.24 0.78 -0.22 2.72 3.52 0.20 -0.08 118.95 126.12 2dhx s ARG 14 Ca 0.30 -0.75 -0.00 0.00 -0.13 0.00 0.00 55.73 55.15 2dhx s ARG 14 Cb -0.17 -0.74 -0.00 0.00 -1.56 0.00 0.00 34.95 32.48 2dhx s ARG 14 CO 0.15 0.17 0.21 0.41 -0.81 0.00 0.00 175.30 175.43 2dhx n GLY 15 N 1.77 -0.58 2.85 8.12 0.00 -1.23 0.20 105.19 116.32 2dhx n GLY 15 Ca -0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.61 1.09 0.52 0.99 2.96 -1.26 -3.79 118.68 116.58 2dhx s LEU 16 Ca 0.00 -0.12 -0.19 0.00 -0.22 0.00 0.00 54.13 53.60 2dhx s LEU 16 Cb -0.00 -0.46 -0.07 0.00 0.50 0.00 0.00 46.19 46.16 2dhx s LEU 16 CO 0.23 -0.10 1.04 -2.16 -1.32 0.00 0.00 176.35 174.04 2dhx s PRO 17 N 1.29 3.66 0.03 0.98 0.04 -1.26 -3.78 135.00 135.96 2dhx s PRO 17 Ca -0.05 1.30 -0.18 0.00 0.04 0.00 0.00 61.00 62.10 2dhx s PRO 17 Cb -0.14 -2.08 -0.22 0.00 0.04 0.00 0.00 34.50 32.11 2dhx s PRO 17 CO -0.02 -0.54 1.15 -1.00 0.04 0.00 0.00 177.00 176.63 2dhx h PRO 18 N 1.20 0.48 -1.79 0.56 0.13 -2.00 -3.15 132.00 127.43 2dhx h PRO 18 Ca -0.49 -0.47 0.53 0.00 -0.87 0.00 0.00 66.00 64.70 2dhx h PRO 18 Cb 1.22 0.12 -0.08 0.00 0.13 0.00 0.00 31.00 32.39 2dhx h PRO 18 CO 0.59 1.11 1.27 0.00 -0.23 0.00 0.00 178.00 180.74 2dhx h ALA 19 N 0.38 3.62 -2.49 -0.56 0.00 -2.01 -3.33 119.26 114.87 2dhx h ALA 19 Ca -0.07 -0.03 -0.60 0.00 0.00 0.00 0.00 54.91 54.21 2dhx h ALA 19 Cb 1.30 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 19.15 2dhx h ALA 19 CO 0.12 -2.17 0.21 0.08 0.00 0.00 0.00 179.25 177.49 2dhx s VAL 20 N -4.94 4.97 0.93 0.00 1.01 -1.19 -5.05 120.40 116.13 2dhx s VAL 20 Ca -0.05 1.28 -0.16 0.00 0.00 0.00 0.00 61.98 63.04 2dhx s VAL 20 Cb 0.27 -3.99 0.22 0.00 0.00 0.00 0.00 36.38 32.89 2dhx s VAL 20 CO 0.88 0.06 1.03 -0.81 0.00 0.00 0.00 175.10 176.25 2dhx n PRO 21 N 5.35 -1.94 0.00 2.72 -0.04 -1.25 -4.89 135.00 134.95 2dhx n PRO 21 Ca 0.00 -1.61 -0.17 0.00 -0.04 0.00 0.00 63.50 61.68 2dhx n PRO 21 Cb 0.49 -1.27 -0.13 0.00 -0.04 0.00 0.00 33.50 32.55 2dhx n PRO 21 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2dhx h ASP 22 N -1.96 0.32 -0.76 3.54 3.32 -1.97 -3.10 116.42 115.81 2dhx h ASP 22 Ca -0.36 -0.90 0.16 0.00 0.02 0.00 0.00 57.03 55.95 2dhx h ASP 22 Cb 1.03 -0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.34 2dhx h ASP 22 CO 0.24 1.19 -0.17 -1.84 -1.72 0.00 0.00 179.24 176.95 2dhx n GLU 23 N -4.32 -0.07 0.08 3.56 0.00 -1.26 0.11 120.64 118.74 2dhx n GLU 23 Ca -0.12 1.18 -0.13 0.00 0.00 0.00 0.00 57.16 58.10 2dhx n GLU 23 Cb 0.66 -1.77 -0.08 0.00 0.00 0.00 0.00 31.44 30.25 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 -0.19 -1.08 -1.84 3.38 -1.96 0.41 115.31 114.02 2dhx h LEU 24 Ca 0.37 -0.29 0.43 0.00 0.09 0.00 0.00 57.88 58.48 2dhx h LEU 24 Cb 0.59 0.05 -0.17 0.00 0.09 0.00 0.00 40.66 41.22 2dhx h LEU 24 CO -0.77 0.22 0.62 -0.11 0.09 0.00 0.00 178.44 178.48 2dhx n LEU 25 N -5.01 0.32 -0.08 1.67 7.94 0.31 0.02 117.00 122.17 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 0.24 -0.78 -0.11 0.00 0.53 0.00 0.00 43.42 43.30 2dhx n LEU 25 CO 0.31 -1.77 -0.03 0.71 -1.11 0.00 0.00 177.39 175.49 2dhx h THR 26 N 0.00 1.29 -1.06 1.96 1.35 -0.55 -3.06 112.91 112.84 2dhx h THR 26 Ca 0.85 -2.17 0.39 0.00 -0.55 0.00 0.00 66.41 64.93 2dhx h THR 26 Cb 2.38 2.64 -0.16 0.00 -1.73 0.00 0.00 68.15 71.27 2dhx h THR 26 CO -0.70 0.44 0.60 0.17 -0.25 0.00 0.00 175.52 175.78 2dhx h LEU 27 N -1.00 0.37 0.01 3.87 8.10 0.36 1.49 115.31 128.52 2dhx h LEU 27 Ca -0.15 0.22 -0.00 0.00 0.11 0.00 0.00 57.88 58.06 2dhx h LEU 27 Cb 1.06 0.20 0.00 0.00 -0.44 0.00 0.00 40.66 41.49 2dhx h LEU 27 CO -0.09 -0.30 -0.01 0.22 -4.11 0.00 0.00 178.44 174.16 2dhx h TYR 28 N 0.12 -0.02 -0.93 0.17 3.20 -0.52 0.55 116.97 119.54 2dhx h TYR 28 Ca 0.81 -0.00 0.24 0.00 3.14 0.00 0.00 58.73 62.92 2dhx h TYR 28 Cb 2.13 0.01 -0.13 0.00 1.54 0.00 0.00 36.73 40.27 2dhx h TYR 28 CO -0.01 -0.01 0.43 0.74 -1.64 0.00 0.00 178.16 177.67 2dhx h PHE 29 N -0.04 0.71 -0.30 -3.82 0.04 -1.19 0.22 116.94 112.56 2dhx h PHE 29 Ca -0.00 0.04 -0.07 0.00 2.80 0.00 0.00 57.97 60.74 2dhx h PHE 29 Cb 0.01 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 2dhx h PHE 29 CO 0.09 -0.07 -0.09 0.93 -0.60 0.00 0.00 178.31 178.57 2dhx h GLU 30 N 0.39 0.59 -6.78 1.51 5.08 0.20 -3.38 114.58 112.19 2dhx h GLU 30 Ca 0.60 -0.23 -0.53 0.00 -1.00 0.00 0.00 59.36 58.19 2dhx h GLU 30 Cb 1.18 -0.03 0.08 0.00 0.50 0.00 0.00 28.75 30.48 2dhx h GLU 30 CO -0.55 0.79 0.90 0.09 -1.00 0.00 0.00 179.01 179.24 2dhx n ASN 31 N -4.46 3.88 -0.04 1.42 4.13 0.77 -4.47 115.26 116.50 2dhx n ASN 31 Ca -0.03 1.14 -0.16 0.00 1.68 0.00 0.00 54.58 57.21 2dhx n ASN 31 Cb 0.33 -1.59 -0.13 0.00 -1.54 0.00 0.00 39.78 36.85 2dhx n ASN 31 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 2dhx h ARG 32 N 5.04 0.09 -1.05 3.52 3.08 -1.79 0.49 114.38 123.76 2dhx h ARG 32 Ca -0.46 -0.15 0.27 0.00 0.07 0.00 0.00 59.98 59.71 2dhx h ARG 32 Cb 1.22 0.06 -0.09 0.00 0.08 0.00 0.00 29.97 31.24 2dhx h ARG 32 CO 0.81 1.07 0.69 0.00 -1.07 0.00 0.00 179.97 181.47 2dhx h ARG 33 N -0.81 0.33 0.00 0.04 2.47 -1.92 0.49 114.38 114.97 2dhx h ARG 33 Ca -0.05 -0.02 -0.34 0.00 -1.26 0.00 0.00 59.98 58.31 2dhx h ARG 33 Cb 1.20 -0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 29.38 2dhx h ARG 33 CO 0.04 0.22 -2.13 0.54 0.56 0.00 0.00 179.97 179.20 2dhx n ARG 34 N -4.56 0.67 -3.22 0.04 5.12 -1.24 -4.79 116.66 108.67 2dhx n ARG 34 Ca 0.25 0.11 -0.12 0.00 -1.93 0.00 0.00 57.85 56.16 2dhx n ARG 34 Cb 0.92 -1.63 -0.05 0.00 -1.16 0.00 0.00 32.46 30.54 2dhx n ARG 34 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2dhx s SER 35 N -5.76 0.16 -0.60 0.55 0.15 0.17 -4.96 113.70 103.41 2dhx s SER 35 Ca -0.09 -1.66 -0.14 0.00 0.70 0.00 0.00 55.95 54.77 2dhx s SER 35 Cb 0.07 0.96 -0.12 0.00 -1.71 0.00 0.00 66.02 65.22 2dhx s SER 35 CO 0.82 -0.19 1.80 0.61 1.20 0.00 0.00 173.24 177.48 2dhx n GLY 36 N 3.84 2.36 0.87 9.45 0.00 0.15 -3.57 105.19 118.28 2dhx n GLY 36 Ca 0.15 -0.88 -0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 4.24 -0.02 0.00 -0.02 0.00 -1.26 -4.71 105.19 103.41 2dhx n GLY 37 Ca 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 3.21 -0.87 3.77 -0.02 0.00 -1.23 -4.15 105.19 105.89 2dhx n GLY 38 Ca -0.01 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.00 -0.30 -0.16 1.61 0.04 -1.26 -3.90 135.00 129.03 2dhx s PRO 39 Ca 0.00 -0.25 0.01 0.00 0.04 0.00 0.00 61.00 60.80 2dhx s PRO 39 Cb 0.00 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.84 2dhx s PRO 39 CO 0.00 -3.07 -0.18 0.08 0.04 0.00 0.00 177.00 173.88 2dhx s VAL 40 N -3.46 1.84 0.07 -0.36 1.01 -1.26 -3.32 120.40 114.92 2dhx s VAL 40 Ca 0.73 -0.81 -0.21 0.00 0.00 0.00 0.00 61.98 61.68 2dhx s VAL 40 Cb -0.07 -1.68 -0.12 0.00 0.00 0.00 0.00 36.38 34.51 2dhx s VAL 40 CO 0.54 0.50 1.55 0.25 0.00 0.00 0.00 175.10 177.95 2dhx h LEU 41 N 7.88 0.20 -8.05 3.92 5.85 -1.12 -3.44 115.31 120.55 2dhx h LEU 41 Ca -0.41 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.07 2dhx h LEU 41 Cb 1.15 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 2dhx h LEU 41 CO 0.58 0.38 0.20 -0.55 -0.34 0.00 0.00 178.44 178.71 2dhx s SER 42 N -5.62 -0.04 -0.11 1.25 0.15 -0.77 -4.98 113.70 103.58 2dhx s SER 42 Ca -0.14 -0.95 -0.08 0.00 0.70 0.00 0.00 55.95 55.48 2dhx s SER 42 Cb 0.06 0.77 0.04 0.00 -1.71 0.00 0.00 66.02 65.18 2dhx s SER 42 CO 0.70 -1.50 0.27 0.86 1.20 0.00 0.00 173.24 174.77 2dhx s TRP 43 N -3.09 -0.33 -0.20 3.44 -0.00 -1.26 -0.97 118.94 116.53 2dhx s TRP 43 Ca 0.15 0.79 -0.00 0.00 -0.00 0.00 0.00 56.10 57.04 2dhx s TRP 43 Cb -0.05 0.09 0.05 0.00 -0.00 0.00 0.00 33.47 33.57 2dhx s TRP 43 CO 0.10 -0.19 -0.04 -1.14 -0.00 0.00 0.00 176.95 175.68 2dhx s GLN 44 N 0.69 1.38 -0.38 5.86 0.74 0.89 -4.98 119.66 123.85 2dhx s GLN 44 Ca -0.04 -0.72 -0.20 0.00 0.05 0.00 0.00 55.36 54.44 2dhx s GLN 44 Cb -0.06 -2.31 0.01 0.00 1.10 0.00 0.00 33.01 31.75 2dhx s GLN 44 CO -0.04 -0.55 0.63 0.50 -0.55 0.00 0.00 175.29 175.28 2dhx s ARG 45 N 1.56 3.57 -0.53 1.67 3.52 -1.26 -0.25 118.95 127.23 2dhx s ARG 45 Ca -0.03 -0.07 0.02 0.00 -0.13 0.00 0.00 55.73 55.52 2dhx s ARG 45 Cb -0.17 -3.85 0.44 0.00 -1.56 0.00 0.00 34.95 29.81 2dhx s ARG 45 CO -0.07 -0.81 1.61 1.28 -0.81 0.00 0.00 175.30 176.50 2dhx n LEU 46 N 6.10 6.31 -1.54 -0.88 7.99 -0.86 -4.93 117.00 129.20 2dhx n LEU 46 Ca -0.01 -4.65 0.00 0.00 -0.01 0.00 0.00 56.01 51.34 2dhx n LEU 46 Cb 0.48 -0.69 0.00 0.00 -0.11 0.00 0.00 43.42 43.10 2dhx n LEU 46 CO 0.50 1.84 -0.40 0.61 -1.51 0.00 0.00 177.39 178.42 2dhx n GLY 47 N -0.74 -4.71 4.06 -0.72 0.00 -1.26 -4.66 105.19 97.16 2dhx n GLY 47 Ca 0.52 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2dhx n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dhx n GLY 49 N -2.16 0.14 0.00 0.00 0.00 -1.25 -3.52 105.19 98.41 2dhx n GLY 49 Ca -0.21 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 0.00 1.53 3.69 -0.02 0.00 0.89 -2.02 105.19 109.26 2dhx n GLY 50 Ca 0.00 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.24 5.25 0.11 1.61 1.01 0.65 0.18 120.40 127.97 2dhx s VAL 51 Ca 0.00 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.18 2dhx s VAL 51 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2dhx s VAL 51 CO 0.00 0.41 -0.05 -0.22 0.00 0.00 0.00 175.10 175.25 2dhx s LEU 52 N 0.60 3.25 -0.14 3.92 0.20 0.69 -0.08 118.68 127.12 2dhx s LEU 52 Ca 0.07 -0.30 0.02 0.00 0.69 0.00 0.00 54.13 54.61 2dhx s LEU 52 Cb -0.12 -2.00 0.00 0.00 -0.43 0.00 0.00 46.19 43.64 2dhx s LEU 52 CO 0.00 0.17 -0.20 -0.89 -0.29 0.00 0.00 176.35 175.14 2dhx s THR 53 N -1.32 2.28 -0.15 3.68 2.01 -0.14 0.16 115.64 122.17 2dhx s THR 53 Ca 0.24 -0.91 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 2dhx s THR 53 Cb -0.11 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 2dhx s THR 53 CO 0.16 0.54 0.13 -0.36 -0.69 0.00 0.00 174.62 174.40 2dhx s PHE 54 N 0.69 3.50 0.13 4.92 0.40 -0.81 -0.64 117.98 126.17 2dhx s PHE 54 Ca -0.09 0.43 -0.33 0.00 -0.60 0.00 0.00 56.93 56.34 2dhx s PHE 54 Cb -0.16 -2.01 -0.11 0.00 0.51 0.00 0.00 43.02 41.26 2dhx s PHE 54 CO 0.01 0.56 1.54 -0.09 0.70 0.00 0.00 175.22 177.95 2dhx h ARG 55 N 5.58 -0.35 -6.19 0.44 2.43 -1.84 -3.39 114.38 111.06 2dhx h ARG 55 Ca -0.50 0.02 -0.52 0.00 -0.81 0.00 0.00 59.98 58.18 2dhx h ARG 55 Cb 1.20 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.77 2dhx h ARG 55 CO 0.64 -0.23 -0.54 -1.21 -1.51 0.00 0.00 179.97 177.11 2dhx s GLU 56 N -5.60 2.71 -0.03 0.20 0.41 -1.26 -4.83 118.70 110.30 2dhx s GLU 56 Ca -0.14 -1.21 -0.23 0.00 -0.41 0.00 0.00 54.97 52.98 2dhx s GLU 56 Cb 0.09 -2.43 -0.22 0.00 -1.78 0.00 0.00 34.13 29.78 2dhx s GLU 56 CO 0.61 0.32 1.09 -1.00 -0.49 0.00 0.00 175.26 175.79 2dhx h PRO 57 N 1.54 0.25 -0.51 0.39 0.13 -1.97 -2.71 132.00 129.12 2dhx h PRO 57 Ca -0.47 -0.24 -0.03 0.00 -0.87 0.00 0.00 66.00 64.40 2dhx h PRO 57 Cb 1.24 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 2dhx h PRO 57 CO 0.60 0.93 0.22 0.00 -0.23 0.00 0.00 178.00 179.52 2dhx h ALA 58 N 0.32 0.66 0.00 -0.56 0.00 -1.96 0.27 119.26 117.98 2dhx h ALA 58 Ca -0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2dhx h ALA 58 Cb 1.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2dhx h ALA 58 CO 0.06 0.25 -0.01 -0.44 0.00 0.00 0.00 179.25 179.11 2dhx h ASP 59 N 0.68 0.00 0.31 0.00 3.32 -1.72 0.22 116.42 119.22 2dhx h ASP 59 Ca 0.17 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.89 2dhx h ASP 59 Cb 0.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 2dhx h ASP 59 CO -0.02 0.01 -1.69 0.00 -1.72 0.00 0.00 179.24 175.82 2dhx h ALA 60 N 1.99 0.28 -0.52 3.45 0.00 -0.82 -3.27 119.26 120.37 2dhx h ALA 60 Ca -0.00 -1.18 -0.09 0.00 0.00 0.00 0.00 54.91 53.63 2dhx h ALA 60 Cb 0.04 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2dhx h ALA 60 CO 0.00 1.14 -0.05 0.93 0.00 0.00 0.00 179.25 181.28 2dhx h GLU 61 N 0.08 0.92 0.00 0.00 5.08 0.10 -1.44 114.58 119.33 2dhx h GLU 61 Ca -0.31 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 2dhx h GLU 61 Cb 2.05 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.22 2dhx h GLU 61 CO 0.15 0.94 0.03 0.00 -1.00 0.00 0.00 179.01 179.14 2dhx h ARG 62 N 0.84 0.00 0.01 2.33 2.47 -0.76 0.35 114.38 119.62 2dhx h ARG 62 Ca 0.15 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.56 2dhx h ARG 62 Cb 0.57 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.84 2dhx h ARG 62 CO 0.03 0.00 -1.70 0.28 0.56 0.00 0.00 179.97 179.15 2dhx n VAL 63 N -2.74 1.55 -0.35 2.04 0.31 -0.70 -4.26 118.33 114.17 2dhx n VAL 63 Ca -0.02 -0.17 0.03 0.00 -0.01 0.00 0.00 64.34 64.16 2dhx n VAL 63 Cb 0.08 -1.97 0.19 0.00 -0.91 0.00 0.00 33.84 31.23 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 -0.93 1.02 -1.91 7.52 3.38 -0.56 -0.58 115.31 123.24 2dhx h LEU 64 Ca -0.46 0.01 0.56 0.00 0.09 0.00 0.00 57.88 58.07 2dhx h LEU 64 Cb 1.44 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 2dhx h LEU 64 CO -0.26 0.66 1.37 0.00 0.09 0.00 0.00 178.44 180.30 2dhx n ALA 65 N -2.37 1.84 -2.58 1.53 0.00 0.12 -3.72 120.51 115.33 2dhx n ALA 65 Ca 0.15 0.66 -0.41 0.00 0.00 0.00 0.00 53.44 53.84 2dhx n ALA 65 Cb 0.17 -1.12 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 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 -4.85 3.75 0.00 0.00 0.74 -0.23 -4.90 119.66 114.18 2dhx s GLN 66 Ca -0.05 0.08 0.21 0.00 0.05 0.00 0.00 55.36 55.65 2dhx s GLN 66 Cb 0.27 -3.78 1.22 0.00 1.10 0.00 0.00 33.01 31.82 2dhx s GLN 66 CO 0.88 -0.64 1.79 0.00 -0.55 0.00 0.00 175.29 176.77 2dhx n ALA 67 N 5.89 2.62 -2.68 1.58 0.00 -1.24 -4.75 120.51 121.92 2dhx n ALA 67 Ca -0.02 -0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 2dhx n ALA 67 Cb 0.49 -1.33 -0.12 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.65 1.80 -0.17 0.00 2.15 -1.26 -4.81 116.67 112.72 2dhx s ASP 68 Ca 0.32 -0.63 -0.16 0.00 0.43 0.00 0.00 52.55 52.50 2dhx s ASP 68 Cb 0.15 -0.06 0.05 0.00 -0.30 0.00 0.00 42.92 42.75 2dhx s ASP 68 CO 0.24 -0.06 0.47 -1.00 -0.17 0.00 0.00 175.17 174.65 2dhx s HIS 69 N -1.29 -0.51 -0.10 -5.34 3.76 -1.24 -5.00 115.29 105.56 2dhx s HIS 69 Ca -0.01 1.25 0.01 0.00 -0.15 0.00 0.00 55.06 56.16 2dhx s HIS 69 Cb -0.10 0.18 0.02 0.00 1.11 0.00 0.00 32.58 33.79 2dhx s HIS 69 CO 0.03 -0.25 -0.11 -2.00 -0.85 0.00 0.00 174.74 171.55 2dhx s GLU 70 N 0.22 1.77 -0.23 1.40 2.12 -1.26 -1.67 118.70 121.04 2dhx s GLU 70 Ca -0.00 -0.38 -0.03 0.00 0.36 0.00 0.00 54.97 54.91 2dhx s GLU 70 Cb -0.03 -1.64 0.10 0.00 0.26 0.00 0.00 34.13 32.81 2dhx s GLU 70 CO 0.01 -0.15 0.20 -1.17 -0.54 0.00 0.00 175.26 173.61 2dhx s LEU 71 N 1.29 0.03 -1.08 2.70 2.96 -1.14 -4.91 118.68 118.53 2dhx s LEU 71 Ca -0.02 -0.56 -0.13 0.00 -0.22 0.00 0.00 54.13 53.20 2dhx s LEU 71 Cb -0.14 0.21 -0.04 0.00 0.50 0.00 0.00 46.19 46.72 2dhx s LEU 71 CO -0.04 -0.36 0.85 1.41 -1.32 0.00 0.00 176.35 176.88 2dhx n HIS 72 N 5.30 -2.21 -3.00 5.38 8.25 -1.26 -3.96 115.22 123.72 2dhx n HIS 72 Ca -0.05 0.67 -0.00 0.00 -0.26 0.00 0.00 57.72 58.07 2dhx n HIS 72 Cb 0.48 -3.76 -0.00 0.00 1.12 0.00 0.00 29.99 27.82 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 -1.48 -1.69 0.00 -1.41 0.00 -1.26 -4.98 105.19 94.36 2dhx n GLY 73 Ca -0.08 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 1.13 0.00 -2.64 4.61 0.00 -1.25 -5.04 120.51 117.31 2dhx n ALA 74 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 2dhx n ALA 74 Cb 0.31 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.68 2dhx n ALA 74 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2dhx s GLN 75 N -1.39 3.13 -0.22 0.00 -2.07 -1.26 -2.89 119.66 114.95 2dhx s GLN 75 Ca 0.00 -0.80 -0.20 0.00 -1.82 0.00 0.00 55.36 52.54 2dhx s GLN 75 Cb 0.00 -4.03 -0.03 0.00 -1.09 0.00 0.00 33.01 27.86 2dhx s GLN 75 CO 0.00 -1.05 0.59 -0.51 -1.32 0.00 0.00 175.29 172.99 2dhx s LEU 76 N 2.42 4.11 -0.60 2.60 2.01 -0.67 -4.75 118.68 123.80 2dhx s LEU 76 Ca 0.14 0.71 -0.22 0.00 0.01 0.00 0.00 54.13 54.78 2dhx s LEU 76 Cb -0.18 -2.80 0.07 0.00 0.01 0.00 0.00 46.19 43.29 2dhx s LEU 76 CO 0.13 -0.28 0.85 -0.44 1.01 0.00 0.00 176.35 177.62 2dhx s SER 77 N 1.32 6.21 0.07 2.29 0.01 0.54 -3.61 113.70 120.54 2dhx s SER 77 Ca 0.26 -0.95 -0.23 0.00 1.31 0.00 0.00 55.95 56.34 2dhx s SER 77 Cb -0.16 -2.38 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 2dhx s SER 77 CO 0.09 -1.25 0.68 -0.76 0.41 0.00 0.00 173.24 172.41 2dhx s LEU 78 N 3.53 4.50 0.08 2.44 2.01 -1.26 0.62 118.68 130.60 2dhx s LEU 78 Ca 0.20 1.38 -0.10 0.00 0.01 0.00 0.00 54.13 55.62 2dhx s LEU 78 Cb -0.18 -3.09 0.01 0.00 0.01 0.00 0.00 46.19 42.94 2dhx s LEU 78 CO 0.11 0.15 0.23 -0.13 1.01 0.00 0.00 176.35 177.72 2dhx s ARG 79 N -0.60 0.85 -0.34 1.70 1.81 0.50 -4.95 118.95 117.92 2dhx s ARG 79 Ca 0.34 -0.83 -0.29 0.00 -1.72 0.00 0.00 55.73 53.22 2dhx s ARG 79 Cb -0.20 0.36 0.00 0.00 -0.45 0.00 0.00 34.95 34.66 2dhx s ARG 79 CO 0.21 -0.28 1.37 -1.25 -0.68 0.00 0.00 175.30 174.68 2dhx s PRO 80 N -3.56 3.75 1.09 3.54 0.04 -1.26 0.17 135.00 138.78 2dhx s PRO 80 Ca 0.02 1.14 -0.13 0.00 0.04 0.00 0.00 61.00 62.07 2dhx s PRO 80 Cb 0.03 -3.95 0.24 0.00 0.04 0.00 0.00 34.50 30.86 2dhx s PRO 80 CO -0.10 -1.33 1.06 0.00 0.04 0.00 0.00 177.00 176.68 2dhx s ALA 81 N 4.90 0.29 -0.27 8.56 0.00 -1.24 -4.62 121.76 129.39 2dhx s ALA 81 Ca 0.59 -0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.91 2dhx s ALA 81 Cb -0.16 -3.14 -0.00 0.00 0.00 0.00 0.00 23.12 19.82 2dhx s ALA 81 CO 0.28 -3.35 1.33 -1.25 0.00 0.00 0.00 175.76 172.77 2dhx s PRO 82 N -4.81 3.96 0.58 0.00 0.04 -1.26 -4.84 135.00 128.67 2dhx s PRO 82 Ca 0.67 1.37 -0.16 0.00 0.04 0.00 0.00 61.00 62.92 2dhx s PRO 82 Cb -0.20 -3.87 -0.04 0.00 0.04 0.00 0.00 34.50 30.42 2dhx s PRO 82 CO 0.60 -1.06 1.05 -1.25 0.04 0.00 0.00 177.00 176.38 2dhx s PRO 83 N 4.10 3.41 -0.03 0.56 0.04 -1.26 -5.05 135.00 136.77 2dhx s PRO 83 Ca 0.58 1.18 -0.00 0.00 0.04 0.00 0.00 61.00 62.79 2dhx s PRO 83 Cb -0.18 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.34 2dhx s PRO 83 CO 0.22 -0.74 0.03 1.03 0.04 0.00 0.00 177.00 177.58 2dhx s ARG 84 N -4.06 0.06 0.01 4.56 0.52 -1.26 -5.15 118.95 113.63 2dhx s ARG 84 Ca 0.63 0.18 0.00 0.00 -0.52 0.00 0.00 55.73 56.02 2dhx s ARG 84 Cb -0.15 -0.37 -0.01 0.00 0.52 0.00 0.00 34.95 34.94 2dhx s ARG 84 CO 0.36 -0.19 -0.01 0.00 0.02 0.00 0.00 175.30 175.48 2dhx s ALA 85 N 1.24 0.06 0.72 2.13 0.00 -1.26 -4.67 121.76 119.98 2dhx s ALA 85 Ca -0.07 -0.29 -0.11 0.00 0.00 0.00 0.00 51.96 51.50 2dhx s ALA 85 Cb -0.13 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.08 2dhx s ALA 85 CO -0.03 -0.08 1.07 -1.25 0.00 0.00 0.00 175.76 175.48 2dhx s PRO 86 N -0.70 2.73 -0.12 0.00 0.04 -1.26 -5.03 135.00 130.65 2dhx s PRO 86 Ca -0.08 0.88 -0.13 0.00 0.04 0.00 0.00 61.00 61.71 2dhx s PRO 86 Cb -0.05 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2dhx s PRO 86 CO -0.00 -1.22 -0.25 0.00 0.04 0.00 0.00 177.00 175.56 2dhx n ALA 87 N -3.20 0.86 -2.65 8.56 0.00 -1.26 -5.09 120.51 117.72 2dhx n ALA 87 Ca 0.07 -0.64 -0.03 0.00 0.00 0.00 0.00 53.44 52.84 2dhx n ALA 87 Cb 0.54 0.04 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 2dhx n ALA 87 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2dhx n ARG 88 N -3.97 -3.47 -3.38 0.00 0.63 -1.26 -5.05 116.66 100.16 2dhx n ARG 88 Ca -0.10 2.66 -0.00 0.00 -0.92 0.00 0.00 57.85 59.49 2dhx n ARG 88 Cb 0.37 -3.53 0.01 0.00 0.45 0.00 0.00 32.46 29.77 2dhx n ARG 88 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2dhx n LEU 89 N 1.99 0.00 -3.64 6.15 -0.00 -1.26 -5.18 117.00 115.06 2dhx n LEU 89 Ca -0.22 -0.72 -0.05 0.00 -0.00 0.00 0.00 56.01 55.02 2dhx n LEU 89 Cb 0.34 1.78 -0.07 0.00 -0.00 0.00 0.00 43.42 45.47 2dhx n LEU 89 CO 0.21 -0.24 1.00 -0.22 -0.00 0.00 0.00 177.39 178.14 2dhx s LEU 90 N 0.00 -0.20 -0.16 1.47 0.20 -1.26 -5.11 118.68 113.62 2dhx s LEU 90 Ca 0.20 0.38 -0.29 0.00 0.69 0.00 0.00 54.13 55.12 2dhx s LEU 90 Cb -0.01 1.39 -0.06 0.00 -0.43 0.00 0.00 46.19 47.07 2dhx s LEU 90 CO 0.02 -0.07 2.15 -0.76 -0.29 0.00 0.00 176.35 177.40 2dhx s LEU 91 N 0.17 3.68 0.46 -0.68 2.01 -1.26 -4.51 118.68 118.55 2dhx s LEU 91 Ca 0.05 2.06 0.00 0.00 0.01 0.00 0.00 54.13 56.25 2dhx s LEU 91 Cb -0.05 -3.52 0.00 0.00 0.01 0.00 0.00 46.19 42.64 2dhx s LEU 91 CO -0.12 -1.74 0.00 1.67 1.01 0.00 0.00 176.35 177.17 2dhx n GLN 92 N 8.46 -3.66 -3.46 1.70 -0.06 -1.26 -4.77 117.38 114.33 2dhx n GLN 92 Ca 0.27 2.77 -0.42 0.00 -2.00 0.00 0.00 57.00 57.62 2dhx n GLN 92 Cb 0.44 -3.25 -0.03 0.00 -4.06 0.00 0.00 30.24 23.34 2dhx n GLN 92 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 2dhx s GLY 93 N -3.92 3.04 -0.06 1.69 0.00 -1.26 -4.98 107.32 101.82 2dhx s GLY 93 Ca 0.00 -3.72 -0.30 0.00 0.00 0.00 0.00 44.72 40.70 2dhx s GLY 93 CO 0.00 1.26 0.75 -2.27 0.00 0.00 0.00 173.10 172.84 2dhx s LEU 94 N -0.96 -0.58 0.90 0.66 2.96 -1.26 -5.18 118.68 115.21 2dhx s LEU 94 Ca 0.27 0.58 -0.12 0.00 -0.22 0.00 0.00 54.13 54.64 2dhx s LEU 94 Cb -0.10 2.37 0.13 0.00 0.50 0.00 0.00 46.19 49.09 2dhx s LEU 94 CO -0.09 -0.57 1.13 -2.16 -1.32 0.00 0.00 176.35 173.34 2dhx s PRO 95 N -1.37 1.26 0.95 0.98 0.04 -1.26 -5.05 135.00 130.54 2dhx s PRO 95 Ca -0.08 0.34 -0.14 0.00 0.04 0.00 0.00 61.00 61.16 2dhx s PRO 95 Cb -0.00 -1.85 0.16 0.00 0.04 0.00 0.00 34.50 32.85 2dhx s PRO 95 CO 0.06 -2.12 1.16 -1.25 0.04 0.00 0.00 177.00 174.89 2dhx s PRO 96 N -5.26 0.81 0.00 0.56 0.04 -1.26 -5.08 135.00 124.81 2dhx s PRO 96 Ca 0.63 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.83 2dhx s PRO 96 Cb -0.15 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2dhx s PRO 96 CO 0.53 -2.40 0.00 0.41 0.04 0.00 0.00 177.00 175.59 2dhx n GLY 97 N -2.26 -0.18 3.54 0.56 0.00 -1.26 -5.19 105.19 100.40 2dhx n GLY 97 Ca 0.08 0.76 -0.26 0.00 0.00 0.00 0.00 46.02 46.60 2dhx n GLY 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dhx s THR 98 N 0.00 0.85 -0.30 2.61 -4.23 -1.26 -5.16 115.64 108.16 2dhx s THR 98 Ca 0.00 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.39 2dhx s THR 98 Cb 0.00 -2.43 0.15 0.00 1.34 0.00 0.00 72.50 71.56 2dhx s THR 98 CO 0.00 0.00 0.83 -0.94 -0.54 0.00 0.00 174.62 173.97 2dhx s SER 99 N -3.63 -0.85 -0.28 3.99 1.04 -1.26 -5.16 113.70 107.55 2dhx s SER 99 Ca 0.24 1.14 -0.17 0.00 0.48 0.00 0.00 55.95 57.64 2dhx s SER 99 Cb 0.04 1.95 0.09 0.00 0.10 0.00 0.00 66.02 68.20 2dhx s SER 99 CO 0.13 -0.16 0.73 -0.83 0.98 0.00 0.00 173.24 174.08 2dhx s GLY 100 N 2.67 -0.56 1.10 7.32 0.00 -1.26 -5.17 107.32 111.42 2dhx s GLY 100 Ca -0.03 2.48 -0.18 0.00 0.00 0.00 0.00 44.72 46.98 2dhx s GLY 100 CO -0.18 2.37 1.23 2.56 0.00 0.00 0.00 173.10 179.07 2dhx s PRO 101 N 1.49 -0.41 0.26 2.90 0.04 -1.26 -5.10 135.00 132.92 2dhx s PRO 101 Ca -0.09 -0.29 0.06 0.00 0.04 0.00 0.00 61.00 60.72 2dhx s PRO 101 Cb -0.05 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.72 2dhx s PRO 101 CO -0.18 -3.14 -0.07 -1.54 0.04 0.00 0.00 177.00 172.12 2dhx s SER 102 N -4.44 2.62 0.21 6.66 1.04 -1.26 -5.16 113.70 113.36 2dhx s SER 102 Ca 0.73 -1.16 -0.04 0.00 0.48 0.00 0.00 55.95 55.95 2dhx s SER 102 Cb -0.06 -0.14 -0.03 0.00 0.10 0.00 0.00 66.02 65.89 2dhx s SER 102 CO 0.55 -0.33 0.22 -0.55 0.98 0.00 0.00 173.24 174.11 2dhx s SER 103 N -3.40 0.09 0.00 7.02 0.15 -1.26 -5.38 113.70 110.92 2dhx s SER 103 Ca 0.28 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 55.68 2dhx s SER 103 Cb 0.03 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2dhx s SER 103 CO 0.11 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.24