#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 5.64 0.26 1.61 0.01 -1.26 -4.94 113.70 115.03 2dhx s SER 2 Ca 0.00 -1.23 0.07 0.00 1.31 0.00 0.00 55.95 56.10 2dhx s SER 2 Cb 0.00 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 2dhx s SER 2 CO 0.00 -2.33 0.26 -0.55 0.41 0.00 0.00 173.24 171.03 2dhx s SER 3 N 6.59 5.72 0.00 2.44 0.15 -1.26 -4.85 113.70 122.49 2dhx s SER 3 Ca 0.62 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.07 2dhx s SER 3 Cb -0.03 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.82 2dhx s SER 3 CO 0.00 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.95 2dhx n GLY 4 N -1.28 -0.53 3.35 9.45 0.00 -1.26 -5.03 105.19 109.88 2dhx n GLY 4 Ca -0.07 0.74 -0.22 0.00 0.00 0.00 0.00 46.02 46.47 2dhx n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dhx n SER 5 N 0.00 -6.04 -2.28 1.61 3.41 -1.26 -4.40 113.62 104.67 2dhx n SER 5 Ca 0.00 0.12 -0.03 0.00 -0.26 0.00 0.00 58.87 58.70 2dhx n SER 5 Cb 0.00 -1.78 -0.03 0.00 -0.26 0.00 0.00 64.21 62.14 2dhx n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dhx n SER 6 N 0.43 -3.31 -4.15 4.04 7.64 -1.26 -5.04 113.62 111.97 2dhx n SER 6 Ca -0.05 1.24 -0.28 0.00 1.01 0.00 0.00 58.87 60.80 2dhx n SER 6 Cb 0.59 -4.45 -0.16 0.00 -1.01 0.00 0.00 64.21 59.18 2dhx n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dhx s GLY 7 N -0.52 1.03 0.00 0.23 0.00 -1.26 -5.01 107.32 101.78 2dhx s GLY 7 Ca -0.15 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.82 2dhx s GLY 7 CO 0.41 -0.33 0.00 0.61 0.00 0.00 0.00 173.10 173.79 2dhx n GLY 8 N 3.26 -0.82 3.06 0.20 0.00 -1.26 -5.03 105.19 104.60 2dhx n GLY 8 Ca -0.19 0.54 -0.29 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 1.58 0.10 1.61 1.01 -1.26 -5.06 120.40 118.38 2dhx s VAL 9 Ca 0.00 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.36 2dhx s VAL 9 Cb 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 2dhx s VAL 9 CO 0.00 0.46 -0.16 0.00 0.00 0.00 0.00 175.10 175.40 2dhx s ALA 10 N 1.06 1.50 -0.08 5.51 0.00 -1.26 -0.90 121.76 127.59 2dhx s ALA 10 Ca -0.04 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 50.71 2dhx s ALA 10 Cb -0.15 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.87 2dhx s ALA 10 CO -0.03 0.20 0.01 0.08 0.00 0.00 0.00 175.76 176.01 2dhx s VAL 11 N -1.60 0.36 -0.40 0.00 1.01 0.42 -3.70 120.40 116.49 2dhx s VAL 11 Ca 0.05 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 2dhx s VAL 11 Cb -0.08 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.75 2dhx s VAL 11 CO 0.03 0.21 1.38 -0.70 0.00 0.00 0.00 175.10 176.02 2dhx s GLU 12 N 1.97 3.63 0.01 2.72 -6.30 0.31 -0.51 118.70 120.53 2dhx s GLU 12 Ca 0.04 0.96 -0.20 0.00 -2.50 0.00 0.00 54.97 53.28 2dhx s GLU 12 Cb -0.13 -4.00 -0.06 0.00 0.00 0.00 0.00 34.13 29.95 2dhx s GLU 12 CO -0.05 -1.49 0.57 0.08 0.02 0.00 0.00 175.26 174.38 2dhx s VAL 13 N 5.23 4.89 0.01 3.70 1.01 0.05 -0.78 120.40 134.52 2dhx s VAL 13 Ca 0.60 1.19 0.04 0.00 0.00 0.00 0.00 61.98 63.80 2dhx s VAL 13 Cb -0.14 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 2dhx s VAL 13 CO 0.31 0.46 -0.12 -0.60 0.00 0.00 0.00 175.10 175.15 2dhx s ARG 14 N -0.42 0.90 -0.17 2.72 3.52 0.27 -2.64 118.95 123.13 2dhx s ARG 14 Ca 0.30 -0.52 -0.00 0.00 -0.13 0.00 0.00 55.73 55.38 2dhx s ARG 14 Cb -0.18 -0.87 -0.00 0.00 -1.56 0.00 0.00 34.95 32.34 2dhx s ARG 14 CO 0.17 0.23 0.16 0.41 -0.81 0.00 0.00 175.30 175.45 2dhx n GLY 15 N 2.49 -0.40 2.84 8.12 0.00 -1.26 0.20 105.19 117.18 2dhx n GLY 15 Ca -0.15 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.54 1.00 0.49 0.99 2.96 -1.26 -3.87 118.68 116.44 2dhx s LEU 16 Ca 0.01 -0.12 -0.20 0.00 -0.22 0.00 0.00 54.13 53.60 2dhx s LEU 16 Cb -0.00 -0.47 -0.08 0.00 0.50 0.00 0.00 46.19 46.14 2dhx s LEU 16 CO 0.16 -0.12 1.04 -2.16 -1.32 0.00 0.00 176.35 173.95 2dhx s PRO 17 N 1.43 3.80 0.08 0.98 0.04 -1.26 -4.14 135.00 135.92 2dhx s PRO 17 Ca -0.03 1.35 -0.14 0.00 0.04 0.00 0.00 61.00 62.22 2dhx s PRO 17 Cb -0.13 -2.09 -0.21 0.00 0.04 0.00 0.00 34.50 32.11 2dhx s PRO 17 CO -0.03 -0.43 1.22 -1.00 0.04 0.00 0.00 177.00 176.80 2dhx h PRO 18 N 1.54 0.70 -0.98 0.56 0.13 -1.88 -3.21 132.00 128.85 2dhx h PRO 18 Ca -0.49 -0.68 0.34 0.00 -0.87 0.00 0.00 66.00 64.29 2dhx h PRO 18 Cb 1.22 0.18 -0.17 0.00 0.13 0.00 0.00 31.00 32.36 2dhx h PRO 18 CO 0.59 1.28 0.43 0.00 -0.23 0.00 0.00 178.00 180.07 2dhx h ALA 19 N 0.44 1.83 -2.21 -0.56 0.00 -2.00 -3.36 119.26 113.41 2dhx h ALA 19 Ca -0.10 0.25 -0.56 0.00 0.00 0.00 0.00 54.91 54.50 2dhx h ALA 19 Cb 1.55 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 2dhx h ALA 19 CO 0.18 -0.71 0.94 0.08 0.00 0.00 0.00 179.25 179.74 2dhx s VAL 20 N -5.69 4.02 0.47 0.00 1.01 -1.21 -4.99 120.40 114.00 2dhx s VAL 20 Ca -0.10 1.26 -0.21 0.00 0.00 0.00 0.00 61.98 62.93 2dhx s VAL 20 Cb 0.31 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 2dhx s VAL 20 CO 0.78 -0.09 1.04 -2.16 0.00 0.00 0.00 175.10 174.67 2dhx s PRO 21 N 3.47 3.87 0.34 2.72 0.04 -1.26 -4.90 135.00 139.28 2dhx s PRO 21 Ca 0.61 1.39 0.10 0.00 0.04 0.00 0.00 61.00 63.14 2dhx s PRO 21 Cb -0.26 -2.18 0.84 0.00 0.04 0.00 0.00 34.50 32.94 2dhx s PRO 21 CO 0.21 -0.38 1.81 0.38 0.04 0.00 0.00 177.00 179.05 2dhx h ASP 22 N 1.74 0.67 -0.88 6.66 2.03 -1.94 -1.13 116.42 123.57 2dhx h ASP 22 Ca -0.49 0.08 0.13 0.00 -0.73 0.00 0.00 57.03 56.01 2dhx h ASP 22 Cb 1.22 -0.05 -0.14 0.00 -0.83 0.00 0.00 39.33 39.53 2dhx h ASP 22 CO 0.60 0.25 -0.43 -0.08 -1.03 0.00 0.00 179.24 178.56 2dhx h GLU 23 N 0.66 -0.06 0.13 4.15 4.81 -1.99 0.28 114.58 122.57 2dhx h GLU 23 Ca 0.54 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.77 2dhx h GLU 23 Cb 0.97 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.36 2dhx h GLU 23 CO -0.31 -0.04 -0.06 -0.07 -0.73 0.00 0.00 179.01 177.80 2dhx h LEU 24 N -0.06 -0.15 -0.98 1.64 3.38 -1.60 0.43 115.31 117.97 2dhx h LEU 24 Ca 0.27 -0.19 0.31 0.00 0.09 0.00 0.00 57.88 58.36 2dhx h LEU 24 Cb 0.55 0.04 -0.18 0.00 0.09 0.00 0.00 40.66 41.16 2dhx h LEU 24 CO -0.89 0.11 0.16 -0.11 0.09 0.00 0.00 178.44 177.79 2dhx n LEU 25 N -5.06 0.01 -0.00 1.67 7.94 0.19 0.14 117.00 121.89 2dhx n LEU 25 Ca -0.09 1.65 -0.17 0.00 -1.11 0.00 0.00 56.01 56.30 2dhx n LEU 25 Cb 0.18 -0.66 -0.14 0.00 0.53 0.00 0.00 43.42 43.34 2dhx n LEU 25 CO 0.33 -1.72 0.21 0.71 -1.11 0.00 0.00 177.39 175.81 2dhx h THR 26 N 0.00 1.62 -1.01 1.96 1.35 -0.28 -2.62 112.91 113.93 2dhx h THR 26 Ca 0.66 -2.40 0.23 0.00 -0.55 0.00 0.00 66.41 64.35 2dhx h THR 26 Cb 1.49 3.22 -0.10 0.00 -1.73 0.00 0.00 68.15 71.03 2dhx h THR 26 CO -0.88 0.66 0.63 0.17 -0.25 0.00 0.00 175.52 175.85 2dhx h LEU 27 N -0.61 0.59 0.42 3.87 8.10 0.45 1.52 115.31 129.66 2dhx h LEU 27 Ca -0.08 0.09 -0.02 0.00 0.11 0.00 0.00 57.88 57.99 2dhx h LEU 27 Cb 1.34 -0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.56 2dhx h LEU 27 CO 0.09 0.15 -0.20 0.22 -4.11 0.00 0.00 178.44 174.59 2dhx h TYR 28 N 0.54 -0.53 -0.96 0.17 3.20 0.12 -1.81 116.97 117.71 2dhx h TYR 28 Ca 0.59 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.54 2dhx h TYR 28 Cb 1.24 0.17 -0.08 0.00 1.54 0.00 0.00 36.73 39.61 2dhx h TYR 28 CO -0.00 -0.33 0.60 0.74 -1.64 0.00 0.00 178.16 177.53 2dhx h PHE 29 N -1.14 1.10 -0.14 -3.82 0.04 -0.97 -1.90 116.94 110.11 2dhx h PHE 29 Ca -0.06 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 2dhx h PHE 29 Cb 0.44 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 2dhx h PHE 29 CO 0.00 0.49 0.08 0.93 -0.60 0.00 0.00 178.31 179.21 2dhx h GLU 30 N 1.01 0.19 -6.90 1.51 5.08 0.21 -3.34 114.58 112.34 2dhx h GLU 30 Ca 0.45 -0.02 -0.56 0.00 -1.00 0.00 0.00 59.36 58.23 2dhx h GLU 30 Cb 0.34 -0.04 0.13 0.00 0.50 0.00 0.00 28.75 29.67 2dhx h GLU 30 CO -0.22 0.18 0.57 -1.71 -1.00 0.00 0.00 179.01 176.83 2dhx n ASN 31 N -4.96 2.81 -0.03 1.42 2.85 -0.68 -4.11 115.26 112.56 2dhx n ASN 31 Ca -0.05 1.10 -0.01 0.00 -0.11 0.00 0.00 54.58 55.51 2dhx n ASN 31 Cb 0.06 -1.54 -0.00 0.00 1.24 0.00 0.00 39.78 39.54 2dhx n ASN 31 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 2dhx h ARG 32 N 2.07 -0.03 -0.49 1.20 3.08 -1.83 -3.10 114.38 115.28 2dhx h ARG 32 Ca -0.49 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.65 2dhx h ARG 32 Cb 1.29 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 31.24 2dhx h ARG 32 CO 0.60 -0.02 -0.31 0.00 -1.07 0.00 0.00 179.97 179.17 2dhx h ARG 33 N -0.98 -0.18 -0.67 0.04 3.08 -1.93 0.50 114.38 114.24 2dhx h ARG 33 Ca -0.00 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.12 2dhx h ARG 33 Cb 0.03 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.02 2dhx h ARG 33 CO 0.01 -0.12 -0.54 0.00 -1.07 0.00 0.00 179.97 178.25 2dhx h ARG 34 N -0.19 -0.17 0.00 0.04 2.47 -1.83 -3.41 114.38 111.29 2dhx h ARG 34 Ca 0.21 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 2dhx h ARG 34 Cb 0.53 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 2dhx h ARG 34 CO -0.59 -0.11 0.00 0.45 0.56 0.00 0.00 179.97 180.27 2dhx n SER 35 N -5.14 0.10 0.00 7.04 2.88 -0.62 -4.91 113.62 112.97 2dhx n SER 35 Ca -0.01 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2dhx n SER 35 Cb 0.28 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 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 2.97 0.72 0.00 0.46 0.00 0.17 -4.94 105.19 104.56 2dhx n GLY 36 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 1.87 0.00 -0.02 0.00 -1.25 -3.62 105.19 102.17 2dhx n GLY 37 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 1.66 -0.65 3.57 -0.02 0.00 -1.26 -4.76 105.19 103.73 2dhx n GLY 38 Ca 0.00 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.26 3.12 -0.01 1.61 0.04 -1.26 -4.05 135.00 134.17 2dhx s PRO 39 Ca 0.00 0.40 -0.32 0.00 0.04 0.00 0.00 61.00 61.12 2dhx s PRO 39 Cb 0.00 -4.20 -0.11 0.00 0.04 0.00 0.00 34.50 30.23 2dhx s PRO 39 CO 0.00 -2.17 1.91 0.28 0.04 0.00 0.00 177.00 177.06 2dhx n VAL 40 N 6.88 0.63 0.37 -0.36 0.31 -1.26 -3.04 118.33 121.85 2dhx n VAL 40 Ca 0.13 -0.11 -0.18 0.00 -0.01 0.00 0.00 64.34 64.17 2dhx n VAL 40 Cb 0.50 -2.07 -0.09 0.00 -0.91 0.00 0.00 33.84 31.27 2dhx n VAL 40 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2dhx h LEU 41 N 9.65 -0.76 -8.39 7.52 7.12 -1.36 -3.45 115.31 125.65 2dhx h LEU 41 Ca -0.49 0.02 -0.22 0.00 0.13 0.00 0.00 57.88 57.32 2dhx h LEU 41 Cb 1.25 0.20 -0.05 0.00 -0.53 0.00 0.00 40.66 41.53 2dhx h LEU 41 CO 0.94 -0.52 -0.04 -0.55 -0.13 0.00 0.00 178.44 178.14 2dhx s SER 42 N -4.42 0.74 -0.19 1.25 0.15 -1.04 -4.97 113.70 105.23 2dhx s SER 42 Ca -0.17 -1.44 -0.04 0.00 0.70 0.00 0.00 55.95 54.99 2dhx s SER 42 Cb 0.03 0.74 0.09 0.00 -1.71 0.00 0.00 66.02 65.17 2dhx s SER 42 CO 0.61 -1.45 0.30 0.86 1.20 0.00 0.00 173.24 174.76 2dhx s TRP 43 N -2.69 -0.54 -0.54 3.44 -0.00 -1.26 -1.75 118.94 115.60 2dhx s TRP 43 Ca 0.26 0.81 -0.10 0.00 -0.00 0.00 0.00 56.10 57.08 2dhx s TRP 43 Cb -0.02 -0.06 0.14 0.00 -0.00 0.00 0.00 33.47 33.52 2dhx s TRP 43 CO 0.19 -0.53 0.43 -1.14 -0.00 0.00 0.00 176.95 175.89 2dhx s GLN 44 N 2.45 2.68 -0.02 5.86 0.74 0.14 -5.00 119.66 126.51 2dhx s GLN 44 Ca 0.05 -1.93 -0.30 0.00 0.05 0.00 0.00 55.36 53.23 2dhx s GLN 44 Cb -0.14 -4.01 -0.04 0.00 1.10 0.00 0.00 33.01 29.93 2dhx s GLN 44 CO -0.12 -1.22 1.14 0.50 -0.55 0.00 0.00 175.29 175.04 2dhx s ARG 45 N 1.08 4.41 -0.68 1.67 3.52 -1.26 0.19 118.95 127.88 2dhx s ARG 45 Ca 0.08 1.62 0.05 0.00 -0.13 0.00 0.00 55.73 57.36 2dhx s ARG 45 Cb -0.24 -3.48 0.22 0.00 -1.56 0.00 0.00 34.95 29.89 2dhx s ARG 45 CO -0.02 -0.32 0.68 1.28 -0.81 0.00 0.00 175.30 176.12 2dhx n LEU 46 N 4.63 3.59 0.00 -0.88 4.77 -0.54 -4.88 117.00 123.69 2dhx n LEU 46 Ca 0.09 -5.36 0.00 0.00 -0.03 0.00 0.00 56.01 50.71 2dhx n LEU 46 Cb 0.47 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2dhx n LEU 46 CO 0.54 1.94 0.00 0.61 -1.33 0.00 0.00 177.39 179.15 2dhx n GLY 47 N 1.26 1.68 0.00 -0.72 0.00 -1.26 -3.81 105.19 102.34 2dhx n GLY 47 Ca 0.26 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 2.35 1.01 0.00 0.00 0.00 -1.25 -4.46 105.19 102.84 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 3.12 3.72 -0.02 0.00 -1.08 -1.47 105.19 114.46 2dhx n GLY 50 Ca 0.00 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.07 5.22 0.15 1.61 1.01 0.13 -0.77 120.40 125.68 2dhx s VAL 51 Ca 0.00 0.81 0.06 0.00 0.00 0.00 0.00 61.98 62.86 2dhx s VAL 51 Cb 0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2dhx s VAL 51 CO 0.00 0.34 0.02 -0.22 0.00 0.00 0.00 175.10 175.23 2dhx s LEU 52 N 0.65 3.42 -0.06 3.92 0.20 0.33 0.28 118.68 127.43 2dhx s LEU 52 Ca 0.23 -0.30 0.06 0.00 0.69 0.00 0.00 54.13 54.80 2dhx s LEU 52 Cb -0.14 -2.09 -0.01 0.00 -0.43 0.00 0.00 46.19 43.52 2dhx s LEU 52 CO 0.08 0.11 -0.24 -0.89 -0.29 0.00 0.00 176.35 175.12 2dhx s THR 53 N -1.62 2.12 -0.19 3.68 2.01 -0.72 0.16 115.64 121.09 2dhx s THR 53 Ca 0.27 -1.05 -0.02 0.00 0.31 0.00 0.00 61.69 61.21 2dhx s THR 53 Cb -0.10 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 2dhx s THR 53 CO 0.19 0.57 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.24 2dhx s PHE 54 N -0.22 2.89 0.15 4.92 0.40 -0.08 -1.00 117.98 125.04 2dhx s PHE 54 Ca -0.02 -0.97 -0.27 0.00 -0.60 0.00 0.00 56.93 55.07 2dhx s PHE 54 Cb -0.13 -2.00 -0.05 0.00 0.51 0.00 0.00 43.02 41.35 2dhx s PHE 54 CO 0.03 -0.49 1.40 -2.13 0.70 0.00 0.00 175.22 174.72 2dhx n ARG 55 N 4.39 -0.39 -3.80 0.44 0.63 -1.17 -4.25 116.66 112.52 2dhx n ARG 55 Ca -0.19 1.37 -0.27 0.00 -0.92 0.00 0.00 57.85 57.84 2dhx n ARG 55 Cb 0.51 -2.02 -0.03 0.00 0.45 0.00 0.00 32.46 31.37 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 -5.48 3.49 -0.08 -0.14 2.02 -1.26 -4.79 118.70 112.46 2dhx s GLU 56 Ca -0.11 -0.43 -0.24 0.00 0.02 0.00 0.00 54.97 54.22 2dhx s GLU 56 Cb 0.11 -2.90 -0.20 0.00 0.10 0.00 0.00 34.13 31.24 2dhx s GLU 56 CO 0.57 0.46 0.89 -1.00 0.02 0.00 0.00 175.26 176.19 2dhx h PRO 57 N 2.17 -0.07 -0.58 0.39 0.13 -1.96 -3.00 132.00 129.07 2dhx h PRO 57 Ca -0.48 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2dhx h PRO 57 Cb 1.19 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2dhx h PRO 57 CO 0.69 0.55 0.39 0.00 -0.23 0.00 0.00 178.00 179.40 2dhx h ALA 58 N -0.02 1.60 0.00 -0.56 0.00 -1.96 0.37 119.26 118.69 2dhx h ALA 58 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2dhx h ALA 58 Cb 0.65 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2dhx h ALA 58 CO 0.01 0.37 0.00 -0.44 0.00 0.00 0.00 179.25 179.19 2dhx h ASP 59 N 0.77 0.00 0.08 0.00 5.19 -1.85 0.07 116.42 120.67 2dhx h ASP 59 Ca 0.22 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.26 2dhx h ASP 59 Cb -0.07 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.40 2dhx h ASP 59 CO -0.05 0.00 -2.11 0.00 -3.12 0.00 0.00 179.24 173.96 2dhx n ALA 60 N -1.95 1.05 -0.31 3.45 0.00 0.10 -3.96 120.51 118.89 2dhx n ALA 60 Ca -0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 53.44 52.64 2dhx n ALA 60 Cb 0.17 -0.48 0.08 0.00 0.00 0.00 0.00 19.45 19.22 2dhx n ALA 60 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2dhx h GLU 61 N -0.05 1.18 -0.71 0.00 4.11 -0.24 -0.78 114.58 118.10 2dhx h GLU 61 Ca -0.48 -0.15 0.06 0.00 0.07 0.00 0.00 59.36 58.87 2dhx h GLU 61 Cb 1.94 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 30.92 2dhx h GLU 61 CO 0.00 0.88 0.46 0.00 0.07 0.00 0.00 179.01 180.43 2dhx h ARG 62 N 1.18 0.71 -0.14 1.06 3.08 -1.18 0.80 114.38 119.89 2dhx h ARG 62 Ca 0.29 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 60.07 2dhx h ARG 62 Cb 0.06 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 29.96 2dhx h ARG 62 CO -0.04 0.47 -0.81 0.28 -1.07 0.00 0.00 179.97 178.80 2dhx h VAL 63 N 0.73 1.27 -0.35 2.04 2.07 -1.40 -3.21 116.25 117.40 2dhx h VAL 63 Ca 0.30 -2.00 -0.05 0.00 0.82 0.00 0.00 66.70 65.77 2dhx h VAL 63 Cb 0.25 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2dhx h VAL 63 CO -0.10 0.63 0.02 -0.07 0.02 0.00 0.00 177.57 178.07 2dhx h LEU 64 N 0.53 0.60 -1.79 2.57 3.38 0.17 -2.49 115.31 118.28 2dhx h LEU 64 Ca -0.06 -0.30 0.53 0.00 0.09 0.00 0.00 57.88 58.14 2dhx h LEU 64 Cb 1.44 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.95 2dhx h LEU 64 CO 0.17 0.75 1.27 0.00 0.09 0.00 0.00 178.44 180.71 2dhx n ALA 65 N -2.38 1.72 -2.65 1.53 0.00 0.26 -3.35 120.51 115.65 2dhx n ALA 65 Ca -0.02 0.65 -0.44 0.00 0.00 0.00 0.00 53.44 53.64 2dhx n ALA 65 Cb 0.26 -1.07 -0.08 0.00 0.00 0.00 0.00 19.45 18.56 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 -4.82 3.04 0.00 0.00 0.74 -0.94 -4.89 119.66 112.80 2dhx s GLN 66 Ca -0.05 -1.01 0.25 0.00 0.05 0.00 0.00 55.36 54.61 2dhx s GLN 66 Cb 0.26 -4.05 1.50 0.00 1.10 0.00 0.00 33.01 31.83 2dhx s GLN 66 CO 0.83 -0.96 1.88 0.00 -0.55 0.00 0.00 175.29 176.49 2dhx n ALA 67 N 5.52 2.48 -2.75 1.58 0.00 -1.21 -4.66 120.51 121.47 2dhx n ALA 67 Ca -0.09 -0.16 -0.32 0.00 0.00 0.00 0.00 53.44 52.87 2dhx n ALA 67 Cb 0.46 -1.41 -0.16 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.96 3.35 -0.20 0.00 2.15 -1.26 -4.62 116.67 114.13 2dhx s ASP 68 Ca 0.38 -0.44 -0.09 0.00 0.43 0.00 0.00 52.55 52.83 2dhx s ASP 68 Cb 0.17 -0.96 0.08 0.00 -0.30 0.00 0.00 42.92 41.91 2dhx s ASP 68 CO 0.29 0.25 0.45 -1.00 -0.17 0.00 0.00 175.17 174.99 2dhx s HIS 69 N -0.17 -0.78 -0.03 -5.34 3.76 -1.23 -5.00 115.29 106.50 2dhx s HIS 69 Ca -0.03 1.53 0.01 0.00 -0.15 0.00 0.00 55.06 56.43 2dhx s HIS 69 Cb -0.14 0.35 -0.03 0.00 1.11 0.00 0.00 32.58 33.87 2dhx s HIS 69 CO 0.04 -0.44 -0.03 -2.00 -0.85 0.00 0.00 174.74 171.45 2dhx s GLU 70 N 2.05 2.75 -0.33 1.40 2.12 -1.26 0.15 118.70 125.57 2dhx s GLU 70 Ca -0.06 -0.60 0.04 0.00 0.36 0.00 0.00 54.97 54.72 2dhx s GLU 70 Cb -0.10 -2.63 0.17 0.00 0.26 0.00 0.00 34.13 31.83 2dhx s GLU 70 CO -0.14 0.64 0.48 -1.17 -0.54 0.00 0.00 175.26 174.53 2dhx s LEU 71 N -1.27 -0.93 -0.87 2.70 2.96 -0.71 -4.94 118.68 115.62 2dhx s LEU 71 Ca 0.17 -0.64 -0.04 0.00 -0.22 0.00 0.00 54.13 53.39 2dhx s LEU 71 Cb -0.11 1.33 -0.01 0.00 0.50 0.00 0.00 46.19 47.89 2dhx s LEU 71 CO 0.07 -0.29 0.73 1.41 -1.32 0.00 0.00 176.35 176.95 2dhx n HIS 72 N 4.92 -2.55 -3.14 5.38 8.25 -1.26 -3.92 115.22 122.91 2dhx n HIS 72 Ca 0.06 0.92 -0.19 0.00 -0.26 0.00 0.00 57.72 58.25 2dhx n HIS 72 Cb 0.51 -3.74 0.02 0.00 1.12 0.00 0.00 29.99 27.90 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 -1.66 -0.90 0.00 -1.41 0.00 -1.26 -5.02 105.19 94.94 2dhx n GLY 73 Ca -0.09 1.00 0.00 0.00 0.00 0.00 0.00 46.02 46.94 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 0.03 0.00 -2.56 4.61 0.00 -1.25 -5.06 120.51 116.28 2dhx n ALA 74 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 2dhx n ALA 74 Cb 0.51 0.00 -0.05 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 0.00 3.57 -0.23 0.00 -2.07 -1.26 -1.74 119.66 117.93 2dhx s GLN 75 Ca 0.00 0.08 -0.20 0.00 -1.82 0.00 0.00 55.36 53.43 2dhx s GLN 75 Cb 0.00 -3.88 -0.02 0.00 -1.09 0.00 0.00 33.01 28.02 2dhx s GLN 75 CO 0.00 -1.00 0.60 -0.51 -1.32 0.00 0.00 175.29 173.06 2dhx s LEU 76 N 3.21 4.09 -0.56 2.60 2.01 0.39 -4.78 118.68 125.64 2dhx s LEU 76 Ca 0.31 0.71 -0.23 0.00 0.01 0.00 0.00 54.13 54.92 2dhx s LEU 76 Cb -0.12 -2.82 0.05 0.00 0.01 0.00 0.00 46.19 43.31 2dhx s LEU 76 CO 0.20 -0.31 0.90 -0.44 1.01 0.00 0.00 176.35 177.71 2dhx s SER 77 N 1.37 6.29 0.15 2.29 0.01 0.55 -3.46 113.70 120.90 2dhx s SER 77 Ca 0.26 -0.54 -0.21 0.00 1.31 0.00 0.00 55.95 56.76 2dhx s SER 77 Cb -0.16 -2.41 -0.08 0.00 0.21 0.00 0.00 66.02 63.59 2dhx s SER 77 CO 0.09 -1.21 0.69 -0.76 0.41 0.00 0.00 173.24 172.46 2dhx s LEU 78 N 3.77 4.49 0.11 2.44 2.01 -1.26 0.95 118.68 131.18 2dhx s LEU 78 Ca 0.27 1.43 -0.16 0.00 0.01 0.00 0.00 54.13 55.69 2dhx s LEU 78 Cb -0.14 -3.25 0.03 0.00 0.01 0.00 0.00 46.19 42.84 2dhx s LEU 78 CO 0.17 0.18 0.38 -0.13 1.01 0.00 0.00 176.35 177.95 2dhx s ARG 79 N -1.41 1.01 -0.23 1.70 0.52 0.04 -4.92 118.95 115.66 2dhx s ARG 79 Ca 0.36 -0.68 -0.29 0.00 -0.52 0.00 0.00 55.73 54.60 2dhx s ARG 79 Cb -0.20 0.44 -0.01 0.00 0.52 0.00 0.00 34.95 35.71 2dhx s ARG 79 CO 0.22 -0.38 1.31 -1.25 0.02 0.00 0.00 175.30 175.22 2dhx s PRO 80 N -3.57 4.04 1.05 3.54 0.04 -1.26 0.11 135.00 138.95 2dhx s PRO 80 Ca 0.02 1.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.40 2dhx s PRO 80 Cb 0.02 -3.84 0.22 0.00 0.04 0.00 0.00 34.50 30.93 2dhx s PRO 80 CO -0.10 -0.95 1.07 0.00 0.04 0.00 0.00 177.00 177.06 2dhx s ALA 81 N 4.06 0.54 -0.26 8.56 0.00 -1.24 -4.61 121.76 128.81 2dhx s ALA 81 Ca 0.57 -0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.97 2dhx s ALA 81 Cb -0.20 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 2dhx s ALA 81 CO 0.20 -3.13 1.33 -1.25 0.00 0.00 0.00 175.76 172.90 2dhx s PRO 82 N -4.81 3.98 0.84 0.00 0.04 -1.26 -4.87 135.00 128.91 2dhx s PRO 82 Ca 0.66 1.39 -0.12 0.00 0.04 0.00 0.00 61.00 62.97 2dhx s PRO 82 Cb -0.20 -3.87 0.09 0.00 0.04 0.00 0.00 34.50 30.56 2dhx s PRO 82 CO 0.60 -1.04 1.11 -1.25 0.04 0.00 0.00 177.00 176.46 2dhx s PRO 83 N 4.07 1.74 -0.16 0.56 0.04 -1.26 -5.02 135.00 134.97 2dhx s PRO 83 Ca 0.58 0.51 -0.22 0.00 0.04 0.00 0.00 61.00 61.91 2dhx s PRO 83 Cb -0.19 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 2dhx s PRO 83 CO 0.22 -1.83 0.65 0.50 0.04 0.00 0.00 177.00 176.58 2dhx s ARG 84 N -5.20 4.27 -0.23 4.56 6.06 -1.26 -5.02 118.95 122.13 2dhx s ARG 84 Ca 0.62 0.70 -0.29 0.00 -2.50 0.00 0.00 55.73 54.26 2dhx s ARG 84 Cb -0.15 -3.54 0.16 0.00 0.06 0.00 0.00 34.95 31.48 2dhx s ARG 84 CO 0.54 -0.16 1.18 0.00 -2.50 0.00 0.00 175.30 174.35 2dhx s ALA 85 N 1.62 -2.03 0.87 6.12 0.00 -1.26 -4.99 121.76 122.10 2dhx s ALA 85 Ca 0.31 1.74 -0.12 0.00 0.00 0.00 0.00 51.96 53.89 2dhx s ALA 85 Cb -0.16 -1.20 0.12 0.00 0.00 0.00 0.00 23.12 21.88 2dhx s ALA 85 CO 0.12 -0.25 1.13 -1.25 0.00 0.00 0.00 175.76 175.50 2dhx s PRO 86 N -0.80 1.44 -0.40 0.00 0.04 -1.26 -5.05 135.00 128.97 2dhx s PRO 86 Ca 0.03 0.39 0.01 0.00 0.04 0.00 0.00 61.00 61.47 2dhx s PRO 86 Cb -0.02 -1.87 0.24 0.00 0.04 0.00 0.00 34.50 32.90 2dhx s PRO 86 CO -0.04 -2.01 1.05 0.00 0.04 0.00 0.00 177.00 176.03 2dhx n ALA 87 N -3.66 -2.74 -2.79 8.56 0.00 -1.26 -5.15 120.51 113.48 2dhx n ALA 87 Ca 0.07 -0.68 -0.37 0.00 0.00 0.00 0.00 53.44 52.46 2dhx n ALA 87 Cb 0.58 -2.45 -0.06 0.00 0.00 0.00 0.00 19.45 17.53 2dhx n ALA 87 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2dhx s ARG 88 N 0.52 3.56 -1.28 0.00 6.06 -1.26 -4.98 118.95 121.57 2dhx s ARG 88 Ca 0.28 -0.01 -0.14 0.00 -2.50 0.00 0.00 55.73 53.37 2dhx s ARG 88 Cb 0.18 -3.20 -0.05 0.00 0.06 0.00 0.00 34.95 31.94 2dhx s ARG 88 CO -0.14 0.75 2.32 -0.11 -2.50 0.00 0.00 175.30 175.63 2dhx n LEU 89 N 1.96 6.45 -4.23 -0.88 0.00 -1.26 -4.82 117.00 114.23 2dhx n LEU 89 Ca -0.19 -3.75 -0.13 0.00 0.00 0.00 0.00 56.01 51.94 2dhx n LEU 89 Cb 0.54 -1.44 -0.10 0.00 0.00 0.00 0.00 43.42 42.42 2dhx n LEU 89 CO 0.33 0.95 -0.33 -0.22 0.00 0.00 0.00 177.39 178.12 2dhx s LEU 90 N 1.21 2.11 0.08 -1.96 0.20 -1.26 -5.10 118.68 113.96 2dhx s LEU 90 Ca 0.54 -1.16 -0.36 0.00 0.69 0.00 0.00 54.13 53.83 2dhx s LEU 90 Cb 0.15 -0.03 -0.15 0.00 -0.43 0.00 0.00 46.19 45.73 2dhx s LEU 90 CO -0.03 -0.57 1.48 0.18 -0.29 0.00 0.00 176.35 177.11 2dhx n LEU 91 N -0.21 2.31 -3.15 -0.68 7.99 -1.26 -4.94 117.00 117.06 2dhx n LEU 91 Ca -0.07 1.10 0.04 0.00 -0.01 0.00 0.00 56.01 57.07 2dhx n LEU 91 Cb 0.63 -1.28 -0.01 0.00 -0.11 0.00 0.00 43.42 42.65 2dhx n LEU 91 CO 0.33 -0.68 0.28 -1.58 -1.51 0.00 0.00 177.39 174.23 2dhx s GLN 92 N 1.01 0.44 0.00 3.23 -0.44 -1.26 -5.12 119.66 117.51 2dhx s GLN 92 Ca 0.84 0.67 0.00 0.00 -2.50 0.00 0.00 55.36 54.37 2dhx s GLN 92 Cb -0.85 0.36 0.00 0.00 -1.64 0.00 0.00 33.01 30.88 2dhx s GLN 92 CO 0.45 -0.58 0.00 0.41 0.50 0.00 0.00 175.29 176.07 2dhx n GLY 93 N 5.41 0.66 3.69 2.59 0.00 -1.26 -5.17 105.19 111.11 2dhx n GLY 93 Ca -0.00 0.59 -0.32 0.00 0.00 0.00 0.00 46.02 46.29 2dhx n GLY 93 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dhx s LEU 94 N 0.00 3.53 0.94 0.99 2.96 -1.26 -5.12 118.68 120.73 2dhx s LEU 94 Ca 0.00 -0.03 -0.13 0.00 -0.22 0.00 0.00 54.13 53.75 2dhx s LEU 94 Cb 0.00 -2.08 0.16 0.00 0.50 0.00 0.00 46.19 44.77 2dhx s LEU 94 CO 0.00 0.26 1.15 -2.16 -1.32 0.00 0.00 176.35 174.28 2dhx s PRO 95 N -1.73 0.88 1.07 0.98 0.04 -1.26 -5.06 135.00 129.92 2dhx s PRO 95 Ca 0.21 0.19 -0.17 0.00 0.04 0.00 0.00 61.00 61.27 2dhx s PRO 95 Cb -0.12 -1.82 0.24 0.00 0.04 0.00 0.00 34.50 32.84 2dhx s PRO 95 CO 0.12 -2.35 1.21 -1.25 0.04 0.00 0.00 177.00 174.78 2dhx s PRO 96 N -5.35 -0.20 0.00 0.56 0.04 -1.26 -5.09 135.00 123.69 2dhx s PRO 96 Ca 0.65 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.48 2dhx s PRO 96 Cb -0.13 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2dhx s PRO 96 CO 0.53 -3.01 0.00 0.41 0.04 0.00 0.00 177.00 174.97 2dhx n GLY 97 N -2.37 2.03 3.39 0.56 0.00 -1.26 -5.15 105.19 102.38 2dhx n GLY 97 Ca 0.14 -2.12 -0.12 0.00 0.00 0.00 0.00 46.02 43.91 2dhx n GLY 97 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dhx s THR 98 N 1.02 0.03 -0.22 2.61 -1.32 -1.26 -5.18 115.64 111.32 2dhx s THR 98 Ca 0.00 -0.22 -0.28 0.00 -1.21 0.00 0.00 61.69 59.98 2dhx s THR 98 Cb 0.00 -1.03 0.13 0.00 -1.51 0.00 0.00 72.50 70.08 2dhx s THR 98 CO 0.00 -0.12 1.03 -0.55 -2.21 0.00 0.00 174.62 172.77 2dhx s SER 99 N -2.44 -0.39 -0.33 8.08 0.15 -1.26 -5.14 113.70 112.37 2dhx s SER 99 Ca -0.01 0.60 0.04 0.00 0.70 0.00 0.00 55.95 57.28 2dhx s SER 99 Cb -0.00 0.56 0.19 0.00 -1.71 0.00 0.00 66.02 65.06 2dhx s SER 99 CO -0.08 -0.24 0.67 -0.83 1.20 0.00 0.00 173.24 173.95 2dhx s GLY 100 N -0.46 -1.25 1.05 9.45 0.00 -1.26 -5.17 107.32 109.68 2dhx s GLY 100 Ca 0.01 0.93 -0.17 0.00 0.00 0.00 0.00 44.72 45.49 2dhx s GLY 100 CO -0.03 3.75 1.21 2.56 0.00 0.00 0.00 173.10 180.59 2dhx s PRO 101 N 2.52 -0.05 0.08 2.90 0.04 -1.26 -5.08 135.00 134.16 2dhx s PRO 101 Ca 0.14 -0.16 0.09 0.00 0.04 0.00 0.00 61.00 61.11 2dhx s PRO 101 Cb -0.07 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 2dhx s PRO 101 CO -0.20 -2.92 -0.22 0.45 0.04 0.00 0.00 177.00 174.15 2dhx s SER 102 N -4.34 3.55 0.92 6.66 0.15 -1.26 -5.11 113.70 114.27 2dhx s SER 102 Ca 0.71 -0.58 -0.13 0.00 0.70 0.00 0.00 55.95 56.65 2dhx s SER 102 Cb -0.08 -0.42 0.04 0.00 -1.71 0.00 0.00 66.02 63.85 2dhx s SER 102 CO 0.54 0.22 0.51 -0.24 1.20 0.00 0.00 173.24 175.47 2dhx n SER 103 N 1.25 -1.69 0.00 5.45 2.88 -1.26 -5.38 113.62 114.87 2dhx n SER 103 Ca -0.17 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 2dhx n SER 103 Cb 0.52 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 2dhx n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42