#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 -0.26 -0.14 1.61 0.15 -1.26 -5.08 113.70 108.73 2dhx s SER 2 Ca 0.00 0.43 -0.13 0.00 0.70 0.00 0.00 55.95 56.95 2dhx s SER 2 Cb 0.00 0.91 -0.06 0.00 -1.71 0.00 0.00 66.02 65.16 2dhx s SER 2 CO 0.00 -0.07 -0.27 -1.20 1.20 0.00 0.00 173.24 172.90 2dhx n SER 3 N 2.92 1.70 0.00 5.45 7.64 -1.26 -5.14 113.62 124.93 2dhx n SER 3 Ca -0.16 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2dhx n SER 3 Cb 0.57 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2dhx n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dhx n GLY 4 N 1.87 -0.25 3.08 0.23 0.00 -1.26 -5.09 105.19 103.78 2dhx n GLY 4 Ca -0.17 -2.25 -0.07 0.00 0.00 0.00 0.00 46.02 43.53 2dhx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dhx s SER 5 N -3.89 0.48 -0.29 1.61 1.04 -1.26 -5.16 113.70 106.23 2dhx s SER 5 Ca 0.00 -0.97 -0.16 0.00 0.48 0.00 0.00 55.95 55.30 2dhx s SER 5 Cb 0.00 0.19 0.13 0.00 0.10 0.00 0.00 66.02 66.45 2dhx s SER 5 CO 0.00 -0.58 0.90 -0.55 0.98 0.00 0.00 173.24 173.99 2dhx s SER 6 N -2.84 -0.63 0.15 7.02 0.15 -1.26 -5.10 113.70 111.18 2dhx s SER 6 Ca 0.06 0.99 -0.27 0.00 0.70 0.00 0.00 55.95 57.43 2dhx s SER 6 Cb 0.07 1.31 -0.07 0.00 -1.71 0.00 0.00 66.02 65.61 2dhx s SER 6 CO -0.10 -0.15 0.84 -0.83 1.20 0.00 0.00 173.24 174.20 2dhx s GLY 7 N 1.52 2.95 0.13 9.45 0.00 -1.26 -4.89 107.32 115.22 2dhx s GLY 7 Ca -0.09 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.07 2dhx s GLY 7 CO -0.16 1.08 0.00 0.61 0.00 0.00 0.00 173.10 174.63 2dhx n GLY 8 N 1.85 -1.73 2.94 0.20 0.00 -1.26 -4.94 105.19 102.24 2dhx n GLY 8 Ca -0.03 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.04 0.03 0.06 1.61 1.01 -1.25 -4.96 120.40 115.86 2dhx s VAL 9 Ca 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.78 2dhx s VAL 9 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.22 2dhx s VAL 9 CO 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 175.10 174.85 2dhx s ALA 10 N -0.39 0.90 -0.10 5.51 0.00 -1.26 -1.15 121.76 125.27 2dhx s ALA 10 Ca -0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 2dhx s ALA 10 Cb -0.03 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.11 2dhx s ALA 10 CO -0.00 0.08 0.11 0.08 0.00 0.00 0.00 175.76 176.02 2dhx s VAL 11 N -1.35 -0.16 -0.29 0.00 1.01 0.45 -3.58 120.40 116.49 2dhx s VAL 11 Ca -0.05 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 2dhx s VAL 11 Cb -0.10 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 35.95 2dhx s VAL 11 CO 0.01 0.02 1.29 -0.70 0.00 0.00 0.00 175.10 175.73 2dhx s GLU 12 N 2.21 3.95 0.01 2.72 -6.30 0.32 -0.49 118.70 121.13 2dhx s GLU 12 Ca 0.04 1.29 -0.10 0.00 -2.50 0.00 0.00 54.97 53.70 2dhx s GLU 12 Cb -0.13 -3.86 -0.05 0.00 0.00 0.00 0.00 34.13 30.08 2dhx s GLU 12 CO -0.06 -1.07 0.33 0.08 0.02 0.00 0.00 175.26 174.56 2dhx s VAL 13 N 4.26 5.20 0.06 3.70 1.01 -0.31 -0.55 120.40 133.78 2dhx s VAL 13 Ca 0.56 0.43 0.05 0.00 0.00 0.00 0.00 61.98 63.01 2dhx s VAL 13 Cb -0.17 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2dhx s VAL 13 CO 0.22 0.42 -0.14 -0.60 0.00 0.00 0.00 175.10 175.01 2dhx s ARG 14 N -1.55 0.82 -0.61 2.72 3.52 0.45 -3.24 118.95 121.05 2dhx s ARG 14 Ca 0.27 -0.90 -0.01 0.00 -0.13 0.00 0.00 55.73 54.95 2dhx s ARG 14 Cb -0.14 -0.81 -0.02 0.00 -1.56 0.00 0.00 34.95 32.42 2dhx s ARG 14 CO 0.15 0.18 0.56 0.41 -0.81 0.00 0.00 175.30 175.79 2dhx n GLY 15 N 1.40 -0.88 2.92 8.12 0.00 -1.26 0.18 105.19 115.67 2dhx n GLY 15 Ca -0.21 0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.87 1.54 0.44 0.99 2.96 -1.26 -3.76 118.68 115.72 2dhx s LEU 16 Ca 0.10 -0.54 -0.22 0.00 -0.22 0.00 0.00 54.13 53.25 2dhx s LEU 16 Cb -0.01 -0.95 -0.09 0.00 0.50 0.00 0.00 46.19 45.64 2dhx s LEU 16 CO 0.55 -0.14 1.05 -2.16 -1.32 0.00 0.00 176.35 174.32 2dhx s PRO 17 N 1.62 4.00 0.12 0.98 0.04 -1.26 -4.03 135.00 136.48 2dhx s PRO 17 Ca 0.03 1.45 -0.07 0.00 0.04 0.00 0.00 61.00 62.45 2dhx s PRO 17 Cb -0.14 -2.35 -0.10 0.00 0.04 0.00 0.00 34.50 31.95 2dhx s PRO 17 CO -0.08 -0.27 1.31 -1.00 0.04 0.00 0.00 177.00 177.00 2dhx h PRO 18 N 2.09 0.53 -1.41 0.56 0.13 -1.92 -3.12 132.00 128.86 2dhx h PRO 18 Ca -0.49 -0.52 0.41 0.00 -0.87 0.00 0.00 66.00 64.53 2dhx h PRO 18 Cb 1.22 0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.42 2dhx h PRO 18 CO 0.61 1.15 1.14 0.00 -0.23 0.00 0.00 178.00 180.67 2dhx h ALA 19 N 0.68 3.31 -2.52 -0.56 0.00 -2.00 -3.35 119.26 114.84 2dhx h ALA 19 Ca -0.08 -0.05 -0.59 0.00 0.00 0.00 0.00 54.91 54.20 2dhx h ALA 19 Cb 1.52 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.33 2dhx h ALA 19 CO 0.16 -1.87 0.21 0.08 0.00 0.00 0.00 179.25 177.83 2dhx s VAL 20 N -4.76 4.97 0.56 0.00 1.01 -1.18 -5.04 120.40 115.96 2dhx s VAL 20 Ca -0.04 1.34 -0.17 0.00 0.00 0.00 0.00 61.98 63.10 2dhx s VAL 20 Cb 0.22 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2dhx s VAL 20 CO 0.74 0.09 1.05 -2.16 0.00 0.00 0.00 175.10 174.81 2dhx s PRO 21 N 1.97 3.50 0.45 2.72 0.04 -1.26 -4.92 135.00 137.51 2dhx s PRO 21 Ca 0.32 1.22 0.14 0.00 0.04 0.00 0.00 61.00 62.72 2dhx s PRO 21 Cb -0.16 -2.06 1.08 0.00 0.04 0.00 0.00 34.50 33.40 2dhx s PRO 21 CO 0.11 -0.66 2.02 0.38 0.04 0.00 0.00 177.00 178.89 2dhx h ASP 22 N 0.77 0.29 -0.55 6.66 2.03 -1.96 -2.07 116.42 121.58 2dhx h ASP 22 Ca -0.48 0.00 0.10 0.00 -0.73 0.00 0.00 57.03 55.92 2dhx h ASP 22 Cb 1.22 -0.06 -0.11 0.00 -0.83 0.00 0.00 39.33 39.55 2dhx h ASP 22 CO 0.58 0.19 -0.35 -0.08 -1.03 0.00 0.00 179.24 178.54 2dhx h GLU 23 N 0.33 -0.19 -0.03 4.15 4.81 -1.99 0.91 114.58 122.57 2dhx h GLU 23 Ca 0.21 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2dhx h GLU 23 Cb 0.41 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2dhx h GLU 23 CO -0.05 -0.13 0.00 -0.07 -0.73 0.00 0.00 179.01 178.04 2dhx h LEU 24 N -0.19 0.04 -1.00 1.64 3.38 -1.77 0.38 115.31 117.79 2dhx h LEU 24 Ca 0.21 -0.26 0.32 0.00 0.09 0.00 0.00 57.88 58.24 2dhx h LEU 24 Cb 0.55 -0.01 -0.18 0.00 0.09 0.00 0.00 40.66 41.11 2dhx h LEU 24 CO -0.65 0.29 0.18 0.25 0.09 0.00 0.00 178.44 178.60 2dhx h LEU 25 N -0.21 -0.25 0.00 1.67 5.85 -0.78 0.64 115.31 122.23 2dhx h LEU 25 Ca 0.01 0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 2dhx h LEU 25 Cb 0.27 0.43 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 2dhx h LEU 25 CO 0.00 -0.39 -0.09 0.71 -0.34 0.00 0.00 178.44 178.33 2dhx h THR 26 N 0.00 1.43 -1.48 1.05 1.35 -0.61 -2.67 112.91 111.98 2dhx h THR 26 Ca 0.68 -2.10 0.45 0.00 -0.55 0.00 0.00 66.41 64.89 2dhx h THR 26 Cb 1.55 2.73 -0.10 0.00 -1.73 0.00 0.00 68.15 70.60 2dhx h THR 26 CO -0.89 0.48 1.01 0.17 -0.25 0.00 0.00 175.52 176.05 2dhx h LEU 27 N -1.00 0.14 0.01 3.87 8.10 0.23 1.46 115.31 128.11 2dhx h LEU 27 Ca -0.02 0.07 -0.00 0.00 0.11 0.00 0.00 57.88 58.03 2dhx h LEU 27 Cb 0.85 0.06 0.00 0.00 -0.44 0.00 0.00 40.66 41.13 2dhx h LEU 27 CO -0.01 -0.08 -0.00 0.22 -4.11 0.00 0.00 178.44 174.46 2dhx h TYR 28 N 0.07 -0.01 -1.02 0.17 3.20 0.09 -2.50 116.97 116.97 2dhx h TYR 28 Ca 0.80 -0.00 0.29 0.00 3.14 0.00 0.00 58.73 62.96 2dhx h TYR 28 Cb 2.81 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 41.04 2dhx h TYR 28 CO -0.00 -0.01 0.72 0.74 -1.64 0.00 0.00 178.16 177.98 2dhx h PHE 29 N -0.22 0.10 -0.11 -3.82 0.04 -0.91 0.22 116.94 112.25 2dhx h PHE 29 Ca -0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 2dhx h PHE 29 Cb 0.01 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.13 2dhx h PHE 29 CO 0.01 0.01 -0.25 0.93 -0.60 0.00 0.00 178.31 178.41 2dhx h GLU 30 N 0.06 0.35 -6.97 1.51 5.08 0.19 -3.34 114.58 111.47 2dhx h GLU 30 Ca 0.50 -0.24 -0.53 0.00 -1.00 0.00 0.00 59.36 58.09 2dhx h GLU 30 Cb 1.87 0.03 0.10 0.00 0.50 0.00 0.00 28.75 31.25 2dhx h GLU 30 CO -0.05 0.85 0.62 1.21 -1.00 0.00 0.00 179.01 180.64 2dhx s ASN 31 N -6.29 6.09 -0.04 1.42 3.84 0.77 -4.25 114.94 116.48 2dhx s ASN 31 Ca -0.14 2.70 0.12 0.00 0.21 0.00 0.00 52.86 55.74 2dhx s ASN 31 Cb 0.04 -2.64 -0.23 0.00 -0.55 0.00 0.00 41.25 37.87 2dhx s ASN 31 CO 0.77 -1.01 0.66 -2.11 -2.79 0.00 0.00 177.10 172.62 2dhx n ARG 32 N -0.12 0.64 0.09 0.43 1.85 -1.26 -2.89 116.66 115.39 2dhx n ARG 32 Ca 0.05 0.30 -0.06 0.00 -1.00 0.00 0.00 57.85 57.14 2dhx n ARG 32 Cb 0.44 -1.79 0.05 0.00 -1.05 0.00 0.00 32.46 30.11 2dhx n ARG 32 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2dhx h ARG 33 N 0.00 0.17 -0.10 2.89 3.08 -1.91 -0.18 114.38 118.33 2dhx h ARG 33 Ca -0.29 -0.16 -0.23 0.00 0.07 0.00 0.00 59.98 59.37 2dhx h ARG 33 Cb 2.01 0.04 0.01 0.00 0.08 0.00 0.00 29.97 32.11 2dhx h ARG 33 CO 0.08 0.85 -0.84 0.00 -1.07 0.00 0.00 179.97 178.98 2dhx h ARG 34 N 0.11 0.71 0.00 0.04 2.47 -1.83 -3.44 114.38 112.44 2dhx h ARG 34 Ca -0.02 -0.63 0.00 0.00 -1.26 0.00 0.00 59.98 58.07 2dhx h ARG 34 Cb 1.33 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.80 2dhx h ARG 34 CO 0.11 1.23 0.00 0.43 0.56 0.00 0.00 179.97 182.30 2dhx n SER 35 N -3.89 0.07 0.00 7.04 7.64 -1.18 -4.88 113.62 118.41 2dhx n SER 35 Ca -0.08 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2dhx n SER 35 Cb 0.78 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 2dhx n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dhx n GLY 36 N 2.10 0.73 0.00 0.23 0.00 -0.09 -4.93 105.19 103.24 2dhx n GLY 36 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 5.30 0.00 -0.02 0.00 -1.25 -4.28 105.19 104.93 2dhx n GLY 37 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 4.06 5.09 3.73 -0.02 0.00 -1.25 -4.68 105.19 112.12 2dhx n GLY 38 Ca 0.00 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 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 1.83 4.53 -0.13 1.61 0.04 -1.26 -4.00 135.00 137.62 2dhx s PRO 39 Ca 0.00 1.74 -0.20 0.00 0.04 0.00 0.00 61.00 62.58 2dhx s PRO 39 Cb 0.00 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 2dhx s PRO 39 CO 0.00 -0.06 0.56 0.08 0.04 0.00 0.00 177.00 177.62 2dhx s VAL 40 N 0.29 5.12 0.00 -0.36 1.01 -1.26 -2.76 120.40 122.44 2dhx s VAL 40 Ca 0.53 1.11 -0.24 0.00 0.00 0.00 0.00 61.98 63.37 2dhx s VAL 40 Cb -0.29 -3.89 -0.16 0.00 0.00 0.00 0.00 36.38 32.04 2dhx s VAL 40 CO 0.33 0.25 1.15 0.25 0.00 0.00 0.00 175.10 177.08 2dhx h LEU 41 N 7.13 -0.42 -8.28 3.92 7.12 -1.60 -3.46 115.31 119.73 2dhx h LEU 41 Ca -0.38 -0.14 -0.16 0.00 0.13 0.00 0.00 57.88 57.32 2dhx h LEU 41 Cb 1.17 0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 41.38 2dhx h LEU 41 CO 0.76 -0.03 0.04 -0.55 -0.13 0.00 0.00 178.44 178.53 2dhx s SER 42 N -5.00 0.53 -0.20 1.25 0.15 -1.19 -5.02 113.70 104.22 2dhx s SER 42 Ca -0.14 -1.36 -0.04 0.00 0.70 0.00 0.00 55.95 55.12 2dhx s SER 42 Cb 0.02 0.77 0.09 0.00 -1.71 0.00 0.00 66.02 65.19 2dhx s SER 42 CO 0.50 -1.51 0.23 0.86 1.20 0.00 0.00 173.24 174.51 2dhx s TRP 43 N -2.60 -0.30 -0.53 3.44 -0.00 -1.26 -2.08 118.94 115.61 2dhx s TRP 43 Ca 0.23 0.31 -0.17 0.00 -0.00 0.00 0.00 56.10 56.47 2dhx s TRP 43 Cb -0.03 -0.32 0.10 0.00 -0.00 0.00 0.00 33.47 33.22 2dhx s TRP 43 CO 0.17 -0.58 0.51 -1.14 -0.00 0.00 0.00 176.95 175.91 2dhx s GLN 44 N 2.34 3.01 -0.18 5.86 0.74 0.13 -5.00 119.66 126.55 2dhx s GLN 44 Ca 0.07 -1.46 -0.27 0.00 0.05 0.00 0.00 55.36 53.75 2dhx s GLN 44 Cb -0.15 -4.23 -0.01 0.00 1.10 0.00 0.00 33.01 29.72 2dhx s GLN 44 CO -0.12 -1.26 0.90 0.50 -0.55 0.00 0.00 175.29 174.76 2dhx s ARG 45 N 1.88 4.29 -0.44 1.67 3.52 -1.26 0.50 118.95 129.11 2dhx s ARG 45 Ca 0.06 1.14 0.03 0.00 -0.13 0.00 0.00 55.73 56.82 2dhx s ARG 45 Cb -0.26 -3.59 0.13 0.00 -1.56 0.00 0.00 34.95 29.66 2dhx s ARG 45 CO 0.05 -0.42 0.22 -0.51 -0.81 0.00 0.00 175.30 173.83 2dhx s LEU 46 N 2.45 3.27 0.00 -0.88 2.01 0.51 -4.89 118.68 121.15 2dhx s LEU 46 Ca 0.40 -2.60 0.00 0.00 0.01 0.00 0.00 54.13 51.94 2dhx s LEU 46 Cb -0.16 -1.24 0.00 0.00 0.01 0.00 0.00 46.19 44.80 2dhx s LEU 46 CO 0.11 -0.28 0.00 0.61 1.01 0.00 0.00 176.35 177.80 2dhx n GLY 47 N 3.60 3.05 0.00 -3.19 0.00 -1.26 -3.65 105.19 103.74 2dhx n GLY 47 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.75 0.26 0.00 0.00 0.00 -1.24 -4.39 105.19 99.06 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 4.70 1.37 3.73 -0.02 0.00 -1.20 -0.36 105.19 113.41 2dhx n GLY 50 Ca 0.00 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.38 5.30 0.15 1.61 1.01 0.18 -1.16 120.40 126.11 2dhx s VAL 51 Ca 0.00 0.56 0.06 0.00 0.00 0.00 0.00 61.98 62.60 2dhx s VAL 51 Cb 0.00 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2dhx s VAL 51 CO 0.00 0.40 0.02 -0.22 0.00 0.00 0.00 175.10 175.30 2dhx s LEU 52 N 0.38 3.44 -0.14 3.92 0.20 0.36 0.19 118.68 127.04 2dhx s LEU 52 Ca 0.17 -0.29 0.02 0.00 0.69 0.00 0.00 54.13 54.71 2dhx s LEU 52 Cb -0.13 -2.11 0.00 0.00 -0.43 0.00 0.00 46.19 43.52 2dhx s LEU 52 CO 0.04 0.11 -0.19 -0.89 -0.29 0.00 0.00 176.35 175.13 2dhx s THR 53 N -1.62 2.41 -0.32 3.68 2.01 -0.88 0.17 115.64 121.09 2dhx s THR 53 Ca 0.28 -0.87 -0.08 0.00 0.31 0.00 0.00 61.69 61.33 2dhx s THR 53 Cb -0.10 -1.99 0.01 0.00 0.01 0.00 0.00 72.50 70.44 2dhx s THR 53 CO 0.19 0.53 0.12 -0.36 -0.69 0.00 0.00 174.62 174.42 2dhx s PHE 54 N 0.67 3.18 0.21 4.92 0.40 -0.30 -1.52 117.98 125.54 2dhx s PHE 54 Ca -0.09 -0.92 -0.17 0.00 -0.60 0.00 0.00 56.93 55.15 2dhx s PHE 54 Cb -0.16 -2.31 0.20 0.00 0.51 0.00 0.00 43.02 41.26 2dhx s PHE 54 CO 0.02 -0.57 1.41 -2.13 0.70 0.00 0.00 175.22 174.64 2dhx n ARG 55 N 4.91 -0.23 -4.10 0.44 0.63 -1.11 -3.76 116.66 113.44 2dhx n ARG 55 Ca -0.14 1.40 -0.34 0.00 -0.92 0.00 0.00 57.85 57.85 2dhx n ARG 55 Cb 0.48 -2.08 -0.10 0.00 0.45 0.00 0.00 32.46 31.21 2dhx n ARG 55 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2dhx s GLU 56 N -5.83 3.88 0.17 -0.14 2.02 -1.26 -4.64 118.70 112.90 2dhx s GLU 56 Ca -0.12 -0.38 0.01 0.00 0.02 0.00 0.00 54.97 54.49 2dhx s GLU 56 Cb 0.18 -3.13 0.03 0.00 0.10 0.00 0.00 34.13 31.30 2dhx s GLU 56 CO 0.64 0.28 1.40 -1.00 0.02 0.00 0.00 175.26 176.61 2dhx h PRO 57 N 6.63 0.27 -0.34 0.39 0.13 -1.93 -1.59 132.00 135.56 2dhx h PRO 57 Ca -0.36 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2dhx h PRO 57 Cb 1.17 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2dhx h PRO 57 CO 0.68 0.95 0.22 0.00 -0.23 0.00 0.00 178.00 179.63 2dhx h ALA 58 N 0.96 0.43 -0.40 -0.56 0.00 -1.94 0.22 119.26 117.97 2dhx h ALA 58 Ca -0.04 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2dhx h ALA 58 Cb 1.43 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2dhx h ALA 58 CO 0.13 -0.10 -0.35 0.38 0.00 0.00 0.00 179.25 179.31 2dhx h ASP 59 N 0.46 1.01 -0.93 0.00 3.04 -1.93 -2.89 116.42 115.17 2dhx h ASP 59 Ca 0.12 -0.45 0.06 0.00 -3.24 0.00 0.00 57.03 53.52 2dhx h ASP 59 Cb -0.04 -0.28 -0.06 0.00 -1.04 0.00 0.00 39.33 37.90 2dhx h ASP 59 CO -0.03 1.25 0.59 0.00 -2.04 0.00 0.00 179.24 179.02 2dhx h ALA 60 N 0.79 1.29 -0.27 4.15 0.00 -0.78 -1.96 119.26 122.47 2dhx h ALA 60 Ca 0.07 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2dhx h ALA 60 Cb 0.95 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 2dhx h ALA 60 CO 0.09 0.37 -0.16 0.93 0.00 0.00 0.00 179.25 180.48 2dhx h GLU 61 N 1.09 -0.13 -0.78 0.00 4.39 -0.36 0.21 114.58 119.00 2dhx h GLU 61 Ca 0.40 0.01 0.19 0.00 0.34 0.00 0.00 59.36 60.30 2dhx h GLU 61 Cb 0.15 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.79 2dhx h GLU 61 CO -0.17 -0.09 0.53 -0.09 -1.16 0.00 0.00 179.01 178.04 2dhx h ARG 62 N -0.14 0.26 -0.03 2.33 2.43 -1.31 1.34 114.38 119.27 2dhx h ARG 62 Ca 0.15 -0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 59.10 2dhx h ARG 62 Cb 0.36 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2dhx h ARG 62 CO -0.36 0.17 -0.83 0.28 -1.51 0.00 0.00 179.97 177.73 2dhx h VAL 63 N 0.27 1.43 -0.01 0.20 2.07 -0.45 -3.26 116.25 116.49 2dhx h VAL 63 Ca 0.39 -2.38 -0.07 0.00 0.82 0.00 0.00 66.70 65.46 2dhx h VAL 63 Cb 1.12 2.31 0.01 0.00 -1.52 0.00 0.00 31.29 33.21 2dhx h VAL 63 CO -0.10 0.71 -0.26 -0.07 0.02 0.00 0.00 177.57 177.86 2dhx h LEU 64 N 0.19 0.25 -1.81 2.57 3.38 0.25 -3.14 115.31 117.01 2dhx h LEU 64 Ca -0.05 -0.75 0.54 0.00 0.09 0.00 0.00 57.88 57.71 2dhx h LEU 64 Cb 1.44 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 42.02 2dhx h LEU 64 CO 0.14 0.97 1.28 0.00 0.09 0.00 0.00 178.44 180.91 2dhx n ALA 65 N -2.53 1.74 -2.84 1.53 0.00 0.41 -3.28 120.51 115.54 2dhx n ALA 65 Ca -0.10 0.68 -0.44 0.00 0.00 0.00 0.00 53.44 53.58 2dhx n ALA 65 Cb 0.50 -1.09 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 2dhx n ALA 65 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2dhx s GLN 66 N -4.87 3.04 0.00 0.00 -0.21 -1.19 -4.88 119.66 111.55 2dhx s GLN 66 Ca -0.05 -1.16 0.24 0.00 0.02 0.00 0.00 55.36 54.41 2dhx s GLN 66 Cb 0.27 -4.13 1.45 0.00 1.00 0.00 0.00 33.01 31.60 2dhx s GLN 66 CO 0.85 -1.14 1.84 0.00 -2.12 0.00 0.00 175.29 174.72 2dhx n ALA 67 N 5.66 2.46 -2.72 6.09 0.00 -1.21 -4.66 120.51 126.14 2dhx n ALA 67 Ca -0.10 -0.15 -0.32 0.00 0.00 0.00 0.00 53.44 52.87 2dhx n ALA 67 Cb 0.44 -1.40 -0.15 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.94 3.56 -0.10 0.00 2.15 -1.26 -4.51 116.67 114.56 2dhx s ASP 68 Ca 0.36 -0.38 -0.15 0.00 0.43 0.00 0.00 52.55 52.82 2dhx s ASP 68 Cb 0.17 -0.99 0.04 0.00 -0.30 0.00 0.00 42.92 41.83 2dhx s ASP 68 CO 0.28 0.26 0.39 -1.00 -0.17 0.00 0.00 175.17 174.93 2dhx s HIS 69 N -0.24 -0.36 -0.07 -5.34 3.76 -1.23 -5.01 115.29 106.80 2dhx s HIS 69 Ca -0.00 0.80 0.02 0.00 -0.15 0.00 0.00 55.06 55.73 2dhx s HIS 69 Cb -0.13 0.15 0.01 0.00 1.11 0.00 0.00 32.58 33.72 2dhx s HIS 69 CO 0.03 -0.30 -0.13 -2.00 -0.85 0.00 0.00 174.74 171.49 2dhx s GLU 70 N -0.40 1.77 -0.30 1.40 2.12 -1.26 -1.75 118.70 120.27 2dhx s GLU 70 Ca -0.05 -0.44 0.01 0.00 0.36 0.00 0.00 54.97 54.84 2dhx s GLU 70 Cb -0.03 -1.45 0.15 0.00 0.26 0.00 0.00 34.13 33.05 2dhx s GLU 70 CO 0.02 0.05 0.35 -1.17 -0.54 0.00 0.00 175.26 173.97 2dhx s LEU 71 N 0.61 -0.48 -0.79 2.70 2.96 -1.17 -4.95 118.68 117.56 2dhx s LEU 71 Ca -0.14 -0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 53.11 2dhx s LEU 71 Cb -0.16 0.78 -0.01 0.00 0.50 0.00 0.00 46.19 47.31 2dhx s LEU 71 CO 0.04 -0.37 0.73 1.41 -1.32 0.00 0.00 176.35 176.84 2dhx n HIS 72 N 5.26 -2.89 -3.26 5.38 8.25 -1.26 -4.14 115.22 122.56 2dhx n HIS 72 Ca -0.00 1.09 -0.11 0.00 -0.26 0.00 0.00 57.72 58.44 2dhx n HIS 72 Cb 0.48 -4.09 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 -1.69 -0.10 0.00 -1.41 0.00 -1.26 -4.99 105.19 95.73 2dhx n GLY 73 Ca -0.02 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 0.85 0.00 -2.64 4.61 0.00 -1.26 -5.05 120.51 117.03 2dhx n ALA 74 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.98 2dhx n ALA 74 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.69 2.99 -0.32 0.00 -2.07 -1.26 -3.06 119.66 114.25 2dhx s GLN 75 Ca 0.00 -1.12 -0.17 0.00 -1.82 0.00 0.00 55.36 52.25 2dhx s GLN 75 Cb 0.00 -4.05 -0.02 0.00 -1.09 0.00 0.00 33.01 27.86 2dhx s GLN 75 CO 0.00 -0.89 0.47 -0.51 -1.32 0.00 0.00 175.29 173.04 2dhx s LEU 76 N 1.75 4.24 -0.39 2.60 2.01 -0.72 -4.59 118.68 123.58 2dhx s LEU 76 Ca 0.06 0.12 -0.23 0.00 0.01 0.00 0.00 54.13 54.08 2dhx s LEU 76 Cb -0.21 -2.54 0.01 0.00 0.01 0.00 0.00 46.19 43.47 2dhx s LEU 76 CO 0.09 -0.37 0.78 -0.55 1.01 0.00 0.00 176.35 177.31 2dhx s SER 77 N 1.69 6.50 -0.04 2.29 0.15 0.46 -3.47 113.70 121.29 2dhx s SER 77 Ca 0.18 0.20 -0.14 0.00 0.70 0.00 0.00 55.95 56.88 2dhx s SER 77 Cb -0.16 -2.39 -0.05 0.00 -1.71 0.00 0.00 66.02 61.71 2dhx s SER 77 CO 0.12 -0.79 0.38 -0.76 1.20 0.00 0.00 173.24 173.38 2dhx s LEU 78 N 3.16 4.42 0.13 3.45 2.01 -1.26 0.17 118.68 130.75 2dhx s LEU 78 Ca 0.31 0.84 -0.15 0.00 0.01 0.00 0.00 54.13 55.14 2dhx s LEU 78 Cb -0.13 -2.52 0.03 0.00 0.01 0.00 0.00 46.19 43.58 2dhx s LEU 78 CO 0.19 0.27 0.38 -0.13 1.01 0.00 0.00 176.35 178.07 2dhx s ARG 79 N -0.69 1.07 -0.23 1.70 0.52 0.29 -4.85 118.95 116.76 2dhx s ARG 79 Ca 0.22 -0.78 -0.29 0.00 -0.52 0.00 0.00 55.73 54.36 2dhx s ARG 79 Cb -0.16 0.45 -0.01 0.00 0.52 0.00 0.00 34.95 35.76 2dhx s ARG 79 CO 0.11 -0.41 1.31 -1.25 0.02 0.00 0.00 175.30 175.07 2dhx s PRO 80 N -3.83 4.06 0.71 3.54 0.04 -1.26 0.12 135.00 138.38 2dhx s PRO 80 Ca 0.05 1.48 -0.14 0.00 0.04 0.00 0.00 61.00 62.42 2dhx s PRO 80 Cb 0.02 -3.84 0.03 0.00 0.04 0.00 0.00 34.50 30.75 2dhx s PRO 80 CO -0.10 -0.94 1.14 0.00 0.04 0.00 0.00 177.00 177.13 2dhx s ALA 81 N 4.02 2.27 -0.33 8.56 0.00 -1.23 -4.60 121.76 130.45 2dhx s ALA 81 Ca 0.57 0.60 -0.29 0.00 0.00 0.00 0.00 51.96 52.84 2dhx s ALA 81 Cb -0.20 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2dhx s ALA 81 CO 0.20 -1.61 1.36 -1.25 0.00 0.00 0.00 175.76 174.46 2dhx s PRO 82 N -4.20 3.80 0.48 0.00 0.04 -1.26 -4.88 135.00 128.98 2dhx s PRO 82 Ca 0.68 1.18 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 2dhx s PRO 82 Cb -0.22 -3.94 -0.09 0.00 0.04 0.00 0.00 34.50 30.29 2dhx s PRO 82 CO 0.46 -1.28 1.04 -1.25 0.04 0.00 0.00 177.00 176.01 2dhx s PRO 83 N 4.46 3.81 0.00 0.56 0.04 -1.26 -4.75 135.00 137.85 2dhx s PRO 83 Ca 0.59 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2dhx s PRO 83 Cb -0.16 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2dhx s PRO 83 CO 0.27 -0.42 0.00 0.54 0.04 0.00 0.00 177.00 177.42 2dhx n ARG 84 N -0.95 0.00 -3.64 4.56 1.74 -1.26 -5.15 116.66 111.97 2dhx n ARG 84 Ca 0.09 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.15 2dhx n ARG 84 Cb 0.52 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.92 2dhx n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dhx s ALA 85 N 0.00 -2.11 0.61 7.54 0.00 -1.26 -5.14 121.76 121.40 2dhx s ALA 85 Ca 0.00 1.87 -0.15 0.00 0.00 0.00 0.00 51.96 53.68 2dhx s ALA 85 Cb 0.00 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 2dhx s ALA 85 CO 0.00 -0.25 1.05 -1.25 0.00 0.00 0.00 175.76 175.31 2dhx s PRO 86 N -1.05 3.30 -0.15 0.00 0.04 -1.26 -5.05 135.00 130.83 2dhx s PRO 86 Ca 0.08 1.12 -0.08 0.00 0.04 0.00 0.00 61.00 62.17 2dhx s PRO 86 Cb -0.01 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2dhx s PRO 86 CO -0.07 -0.82 0.11 0.00 0.04 0.00 0.00 177.00 176.27 2dhx s ALA 87 N -2.60 3.71 0.26 8.56 0.00 -1.26 -5.09 121.76 125.34 2dhx s ALA 87 Ca 0.62 -0.68 -0.13 0.00 0.00 0.00 0.00 51.96 51.76 2dhx s ALA 87 Cb -0.15 -1.98 -0.08 0.00 0.00 0.00 0.00 23.12 20.91 2dhx s ALA 87 CO 0.40 0.41 0.64 0.50 0.00 0.00 0.00 175.76 177.72 2dhx s ARG 88 N -0.40 3.95 -0.27 0.00 3.52 -1.26 -4.97 118.95 119.52 2dhx s ARG 88 Ca 0.11 0.52 -0.28 0.00 -0.13 0.00 0.00 55.73 55.95 2dhx s ARG 88 Cb -0.12 -2.61 -0.06 0.00 -1.56 0.00 0.00 34.95 30.61 2dhx s ARG 88 CO 0.01 0.27 2.26 1.28 -0.81 0.00 0.00 175.30 178.32 2dhx n LEU 89 N -0.06 3.03 -3.85 -0.88 7.99 -1.26 -4.92 117.00 117.06 2dhx n LEU 89 Ca 0.01 0.09 -0.24 0.00 -0.01 0.00 0.00 56.01 55.86 2dhx n LEU 89 Cb 0.53 -1.54 -0.17 0.00 -0.11 0.00 0.00 43.42 42.12 2dhx n LEU 89 CO 0.43 -0.84 -0.41 -0.76 -1.51 0.00 0.00 177.39 174.30 2dhx s LEU 90 N 8.95 0.97 0.72 2.23 1.02 -1.26 -5.12 118.68 126.19 2dhx s LEU 90 Ca 1.01 -0.17 -0.18 0.00 0.02 0.00 0.00 54.13 54.81 2dhx s LEU 90 Cb -0.34 -0.59 -0.15 0.00 0.02 0.00 0.00 46.19 45.13 2dhx s LEU 90 CO 0.34 -0.13 -0.40 0.18 0.02 0.00 0.00 176.35 176.36 2dhx n LEU 91 N 4.82 -4.57 -3.69 1.79 4.77 -1.26 -4.96 117.00 113.90 2dhx n LEU 91 Ca -0.13 0.45 -0.30 0.00 -0.03 0.00 0.00 56.01 56.01 2dhx n LEU 91 Cb 0.50 -0.82 -0.15 0.00 -2.33 0.00 0.00 43.42 40.62 2dhx n LEU 91 CO 0.15 -5.29 -0.33 -1.58 -1.33 0.00 0.00 177.39 169.02 2dhx s GLN 92 N -1.47 0.60 0.03 3.23 0.74 -1.26 -5.12 119.66 116.41 2dhx s GLN 92 Ca 0.50 -0.97 -0.24 0.00 0.05 0.00 0.00 55.36 54.70 2dhx s GLN 92 Cb -0.36 -1.80 -0.05 0.00 1.10 0.00 0.00 33.01 31.89 2dhx s GLN 92 CO 0.73 -1.00 0.72 0.20 -0.55 0.00 0.00 175.29 175.39 2dhx s GLY 93 N 1.70 2.74 0.48 2.59 0.00 -1.26 -5.06 107.32 108.51 2dhx s GLY 93 Ca 0.10 0.21 -0.04 0.00 0.00 0.00 0.00 44.72 44.99 2dhx s GLY 93 CO -0.27 1.01 0.78 1.08 0.00 0.00 0.00 173.10 175.70 2dhx s LEU 94 N -0.04 3.60 0.94 0.66 2.01 -1.26 -5.08 118.68 119.50 2dhx s LEU 94 Ca 0.37 0.82 -0.13 0.00 0.01 0.00 0.00 54.13 55.19 2dhx s LEU 94 Cb -0.20 -3.74 0.15 0.00 0.01 0.00 0.00 46.19 42.41 2dhx s LEU 94 CO 0.21 -0.64 1.15 -2.16 1.01 0.00 0.00 176.35 175.93 2dhx s PRO 95 N -4.73 0.93 0.87 1.29 0.04 -1.26 -5.05 135.00 127.09 2dhx s PRO 95 Ca 0.48 0.21 -0.12 0.00 0.04 0.00 0.00 61.00 61.60 2dhx s PRO 95 Cb -0.10 -1.82 0.11 0.00 0.04 0.00 0.00 34.50 32.73 2dhx s PRO 95 CO 0.44 -2.32 1.12 -1.25 0.04 0.00 0.00 177.00 175.03 2dhx s PRO 96 N -5.34 1.46 0.00 0.56 0.04 -1.26 -5.09 135.00 125.37 2dhx s PRO 96 Ca 0.65 0.40 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2dhx s PRO 96 Cb -0.13 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2dhx s PRO 96 CO 0.53 -2.00 0.00 0.41 0.04 0.00 0.00 177.00 175.98 2dhx n GLY 97 N -2.18 1.29 3.48 0.56 0.00 -1.26 -5.13 105.19 101.95 2dhx n GLY 97 Ca 0.07 -1.56 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 2dhx n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dhx s THR 98 N 1.68 0.00 -0.24 2.61 2.01 -1.26 -5.17 115.64 115.28 2dhx s THR 98 Ca 0.00 -0.02 -0.27 0.00 0.31 0.00 0.00 61.69 61.72 2dhx s THR 98 Cb 0.00 -0.82 0.12 0.00 0.01 0.00 0.00 72.50 71.82 2dhx s THR 98 CO 0.00 -0.01 1.02 -0.55 -0.69 0.00 0.00 174.62 174.39 2dhx s SER 99 N 0.17 -0.42 0.00 3.53 0.15 -1.26 -5.18 113.70 110.69 2dhx s SER 99 Ca -0.01 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.35 2dhx s SER 99 Cb -0.04 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2dhx s SER 99 CO 0.01 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2dhx n GLY 100 N 1.71 2.73 3.76 9.45 0.00 -1.26 -5.16 105.19 116.41 2dhx n GLY 100 Ca -0.12 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 2dhx n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dhx s PRO 101 N -2.00 -0.61 -0.08 1.61 0.04 -1.26 -5.10 135.00 127.60 2dhx s PRO 101 Ca 0.00 -0.37 -0.26 0.00 0.04 0.00 0.00 61.00 60.41 2dhx s PRO 101 Cb 0.00 -1.70 0.06 0.00 0.04 0.00 0.00 34.50 32.90 2dhx s PRO 101 CO 0.00 -3.25 0.60 -1.54 0.04 0.00 0.00 177.00 172.85 2dhx s SER 102 N -4.50 -0.57 0.08 6.66 1.04 -1.26 -5.18 113.70 109.98 2dhx s SER 102 Ca 0.75 0.71 -0.14 0.00 0.48 0.00 0.00 55.95 57.75 2dhx s SER 102 Cb -0.05 0.65 0.02 0.00 0.10 0.00 0.00 66.02 66.74 2dhx s SER 102 CO 0.55 -0.50 0.32 -0.94 0.98 0.00 0.00 173.24 173.64 2dhx s SER 103 N -0.91 -0.12 0.00 7.02 1.04 -1.26 -5.37 113.70 114.10 2dhx s SER 103 Ca -0.09 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2dhx s SER 103 Cb -0.02 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2dhx s SER 103 CO 0.07 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.17