#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 -0.29 0.09 1.61 0.15 -1.26 -4.98 113.70 109.03 2dhx s SER 2 Ca 0.00 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2dhx s SER 2 Cb 0.00 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2dhx s SER 2 CO 0.00 -0.79 0.00 -1.54 1.20 0.00 0.00 173.24 172.11 2dhx n SER 3 N -0.36 -9.16 -3.83 5.45 3.41 -1.26 -5.07 113.62 102.80 2dhx n SER 3 Ca -0.08 1.63 -0.12 0.00 -0.26 0.00 0.00 58.87 60.04 2dhx n SER 3 Cb 0.61 -5.05 -0.10 0.00 -0.26 0.00 0.00 64.21 59.41 2dhx n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dhx s GLY 4 N -0.55 -0.02 -0.01 5.00 0.00 -1.26 -5.16 107.32 105.32 2dhx s GLY 4 Ca 0.00 0.04 0.04 0.00 0.00 0.00 0.00 44.72 44.80 2dhx s GLY 4 CO 0.00 -0.12 -0.12 -1.35 0.00 0.00 0.00 173.10 171.51 2dhx s SER 5 N -1.30 4.24 -0.28 1.64 1.04 -1.26 -5.11 113.70 112.67 2dhx s SER 5 Ca -0.14 -0.23 -0.22 0.00 0.48 0.00 0.00 55.95 55.85 2dhx s SER 5 Cb -0.07 -0.89 0.12 0.00 0.10 0.00 0.00 66.02 65.28 2dhx s SER 5 CO 0.02 0.30 0.94 -0.94 0.98 0.00 0.00 173.24 174.54 2dhx s SER 6 N -1.20 -0.56 0.00 7.02 1.04 -1.26 -5.10 113.70 113.64 2dhx s SER 6 Ca 0.15 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.58 2dhx s SER 6 Cb -0.11 1.09 0.00 0.00 0.10 0.00 0.00 66.02 67.11 2dhx s SER 6 CO 0.05 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.71 2dhx n GLY 7 N 2.88 3.55 0.00 7.32 0.00 -1.26 -5.14 105.19 112.54 2dhx n GLY 7 Ca -0.15 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 0.25 3.20 -0.02 0.00 -1.26 -5.08 105.19 102.29 2dhx n GLY 8 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 1.97 0.01 1.61 1.01 -1.26 -5.07 120.40 118.68 2dhx s VAL 9 Ca 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.03 2dhx s VAL 9 Cb 0.00 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 2dhx s VAL 9 CO 0.00 0.54 -0.07 0.00 0.00 0.00 0.00 175.10 175.57 2dhx s ALA 10 N 0.34 0.53 -0.14 5.51 0.00 -1.26 -1.77 121.76 124.98 2dhx s ALA 10 Ca -0.18 -0.45 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 2dhx s ALA 10 Cb -0.17 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 22.91 2dhx s ALA 10 CO 0.08 0.07 -0.10 0.08 0.00 0.00 0.00 175.76 175.90 2dhx s VAL 11 N -0.59 1.27 -0.29 0.00 1.01 0.46 -2.57 120.40 119.69 2dhx s VAL 11 Ca -0.02 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 2dhx s VAL 11 Cb -0.05 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.06 2dhx s VAL 11 CO 0.00 0.36 1.25 -0.70 0.00 0.00 0.00 175.10 176.01 2dhx s GLU 12 N 1.60 3.99 -0.07 2.72 -6.30 0.50 -0.04 118.70 121.10 2dhx s GLU 12 Ca 0.04 1.26 -0.10 0.00 -2.50 0.00 0.00 54.97 53.67 2dhx s GLU 12 Cb -0.13 -3.83 -0.05 0.00 0.00 0.00 0.00 34.13 30.12 2dhx s GLU 12 CO -0.09 -1.02 0.26 0.08 0.02 0.00 0.00 175.26 174.51 2dhx s VAL 13 N 4.10 5.30 0.03 3.70 1.01 0.53 -1.00 120.40 134.08 2dhx s VAL 13 Ca 0.54 0.48 0.03 0.00 0.00 0.00 0.00 61.98 63.03 2dhx s VAL 13 Cb -0.16 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 2dhx s VAL 13 CO 0.20 0.59 -0.09 -0.60 0.00 0.00 0.00 175.10 175.20 2dhx s ARG 14 N -0.98 0.62 -0.43 2.72 3.52 0.70 -1.74 118.95 123.36 2dhx s ARG 14 Ca 0.19 -0.66 -0.01 0.00 -0.13 0.00 0.00 55.73 55.12 2dhx s ARG 14 Cb -0.14 -0.50 -0.01 0.00 -1.56 0.00 0.00 34.95 32.74 2dhx s ARG 14 CO 0.08 0.11 0.39 0.41 -0.81 0.00 0.00 175.30 175.48 2dhx n GLY 15 N 1.84 -0.54 2.98 8.12 0.00 0.65 0.33 105.19 118.57 2dhx n GLY 15 Ca -0.20 0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.43 1.48 0.49 0.99 2.96 -1.08 -3.85 118.68 116.23 2dhx s LEU 16 Ca 0.08 -0.33 -0.20 0.00 -0.22 0.00 0.00 54.13 53.46 2dhx s LEU 16 Cb -0.01 -0.89 -0.08 0.00 0.50 0.00 0.00 46.19 45.70 2dhx s LEU 16 CO 0.37 -0.04 1.04 -2.16 -1.32 0.00 0.00 176.35 174.25 2dhx s PRO 17 N 1.18 3.80 0.13 0.98 0.04 -1.26 -4.18 135.00 135.68 2dhx s PRO 17 Ca -0.04 1.36 -0.06 0.00 0.04 0.00 0.00 61.00 62.29 2dhx s PRO 17 Cb -0.14 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 2dhx s PRO 17 CO -0.03 -0.43 1.32 -1.00 0.04 0.00 0.00 177.00 176.90 2dhx h PRO 18 N 1.55 0.52 -1.32 0.56 0.13 -2.00 -3.14 132.00 128.29 2dhx h PRO 18 Ca -0.49 -0.50 0.40 0.00 -0.87 0.00 0.00 66.00 64.53 2dhx h PRO 18 Cb 1.22 0.13 -0.10 0.00 0.13 0.00 0.00 31.00 32.38 2dhx h PRO 18 CO 0.59 1.14 0.89 0.00 -0.23 0.00 0.00 178.00 180.38 2dhx h ALA 19 N 0.70 2.84 -2.37 -0.56 0.00 -2.00 -3.34 119.26 114.54 2dhx h ALA 19 Ca -0.07 0.05 -0.60 0.00 0.00 0.00 0.00 54.91 54.29 2dhx h ALA 19 Cb 1.51 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.34 2dhx h ALA 19 CO 0.16 -1.36 0.35 0.08 0.00 0.00 0.00 179.25 178.48 2dhx s VAL 20 N -5.22 4.89 1.12 0.00 1.01 -1.19 -5.05 120.40 115.96 2dhx s VAL 20 Ca -0.07 1.42 -0.19 0.00 0.00 0.00 0.00 61.98 63.14 2dhx s VAL 20 Cb 0.27 -4.05 0.27 0.00 0.00 0.00 0.00 36.38 32.87 2dhx s VAL 20 CO 0.82 -0.02 1.23 -0.81 0.00 0.00 0.00 175.10 176.32 2dhx n PRO 21 N 5.80 -2.23 -0.01 2.72 -0.04 -1.26 -4.90 135.00 135.09 2dhx n PRO 21 Ca 0.03 -1.93 -0.16 0.00 -0.04 0.00 0.00 63.50 61.39 2dhx n PRO 21 Cb 0.48 -1.52 -0.12 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.25 0.33 -0.76 3.54 2.03 -1.96 -3.02 116.42 114.32 2dhx h ASP 22 Ca -0.43 -0.81 0.16 0.00 -0.73 0.00 0.00 57.03 55.22 2dhx h ASP 22 Cb 1.24 -0.10 -0.14 0.00 -0.83 0.00 0.00 39.33 39.49 2dhx h ASP 22 CO 0.29 1.10 -0.15 -1.84 -1.03 0.00 0.00 179.24 177.61 2dhx n GLU 23 N -4.38 -0.07 0.08 4.15 0.00 -1.26 0.10 120.64 119.26 2dhx n GLU 23 Ca -0.10 1.17 -0.12 0.00 0.00 0.00 0.00 57.16 58.10 2dhx n GLU 23 Cb 0.59 -1.77 -0.08 0.00 0.00 0.00 0.00 31.44 30.18 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 -0.20 -1.04 -1.84 3.38 -1.96 0.25 115.31 113.89 2dhx h LEU 24 Ca 0.38 -0.31 0.42 0.00 0.09 0.00 0.00 57.88 58.46 2dhx h LEU 24 Cb 0.62 0.05 -0.17 0.00 0.09 0.00 0.00 40.66 41.25 2dhx h LEU 24 CO -0.77 0.25 0.58 -0.11 0.09 0.00 0.00 178.44 178.49 2dhx n LEU 25 N -4.99 0.33 -0.01 1.67 7.94 0.28 0.77 117.00 122.98 2dhx n LEU 25 Ca -0.09 1.60 -0.19 0.00 -1.11 0.00 0.00 56.01 56.23 2dhx n LEU 25 Cb 0.26 -0.78 -0.14 0.00 0.53 0.00 0.00 43.42 43.29 2dhx n LEU 25 CO 0.30 -1.79 -0.07 0.71 -1.11 0.00 0.00 177.39 175.42 2dhx h THR 26 N 0.00 1.37 -0.92 1.96 1.35 -0.46 -2.70 112.91 113.50 2dhx h THR 26 Ca 0.85 -2.40 0.26 0.00 -0.55 0.00 0.00 66.41 64.57 2dhx h THR 26 Cb 2.31 2.98 -0.04 0.00 -1.73 0.00 0.00 68.15 71.68 2dhx h THR 26 CO -0.72 0.63 0.66 0.17 -0.25 0.00 0.00 175.52 176.01 2dhx h LEU 27 N -0.60 0.04 0.00 3.87 8.10 0.38 1.52 115.31 128.63 2dhx h LEU 27 Ca -0.18 0.01 -0.01 0.00 0.11 0.00 0.00 57.88 57.80 2dhx h LEU 27 Cb 1.46 -0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.68 2dhx h LEU 27 CO 0.04 0.01 -0.07 0.22 -4.11 0.00 0.00 178.44 174.53 2dhx h TYR 28 N 0.04 0.01 0.00 0.17 3.20 0.28 -2.53 116.97 118.15 2dhx h TYR 28 Ca 0.44 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.31 2dhx h TYR 28 Cb 1.71 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.98 2dhx h TYR 28 CO -0.00 1.03 0.00 1.19 -1.64 0.00 0.00 178.16 178.74 2dhx n PHE 29 N -4.59 0.00 -0.12 -3.82 3.72 -0.17 -3.00 117.46 109.48 2dhx n PHE 29 Ca -0.11 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.13 2dhx n PHE 29 Cb 0.50 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.92 2dhx n PHE 29 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2dhx n GLU 30 N -0.96 0.62 -2.43 -1.08 1.02 0.50 -3.98 120.64 114.34 2dhx n GLU 30 Ca 0.18 0.13 -0.42 0.00 -0.02 0.00 0.00 57.16 57.03 2dhx n GLU 30 Cb 0.08 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 2dhx n GLU 30 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2dhx s ASN 31 N -6.30 7.05 0.01 1.62 -0.87 -0.95 -4.57 114.94 110.94 2dhx s ASN 31 Ca -0.32 1.92 -0.25 0.00 -1.57 0.00 0.00 52.86 52.64 2dhx s ASN 31 Cb 0.08 -2.57 -0.17 0.00 -0.02 0.00 0.00 41.25 38.57 2dhx s ASN 31 CO 0.57 -0.54 1.32 -0.09 -2.57 0.00 0.00 177.10 175.79 2dhx h ARG 32 N 7.20 -0.30 -0.39 -0.60 2.43 -1.91 -1.93 114.38 118.88 2dhx h ARG 32 Ca -0.38 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 58.89 2dhx h ARG 32 Cb 1.19 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 30.73 2dhx h ARG 32 CO 0.85 0.01 -0.10 0.00 -1.51 0.00 0.00 179.97 179.22 2dhx h ARG 33 N -0.62 -0.00 0.23 0.20 2.47 -1.94 0.89 114.38 115.60 2dhx h ARG 33 Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2dhx h ARG 33 Cb 0.45 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.74 2dhx h ARG 33 CO 0.05 -0.00 -0.40 0.00 0.56 0.00 0.00 179.97 180.18 2dhx h ARG 34 N -0.00 -0.65 0.00 0.04 2.47 -1.84 -3.41 114.38 110.98 2dhx h ARG 34 Ca 0.19 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 2dhx h ARG 34 Cb 0.29 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 2dhx h ARG 34 CO -0.41 -0.43 0.00 0.45 0.56 0.00 0.00 179.97 180.14 2dhx n SER 35 N -4.78 0.00 0.00 7.04 2.88 -0.73 -5.07 113.62 112.96 2dhx n SER 35 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2dhx n SER 35 Cb 0.34 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 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 2.40 0.92 0.00 0.46 0.00 0.31 -4.96 105.19 104.32 2dhx n GLY 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.22 0.00 -0.02 0.00 -1.26 -4.45 105.19 100.68 2dhx n GLY 37 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 4.17 1.39 3.76 -0.02 0.00 -1.26 -4.80 105.19 108.44 2dhx n GLY 38 Ca 0.00 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 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 1.50 4.58 -0.25 1.61 0.04 -1.26 -4.00 135.00 137.23 2dhx s PRO 39 Ca 0.00 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.62 2dhx s PRO 39 Cb 0.00 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 2dhx s PRO 39 CO 0.00 0.18 0.36 0.08 0.04 0.00 0.00 177.00 177.66 2dhx s VAL 40 N -1.25 5.20 0.06 -0.36 1.01 -1.26 -2.17 120.40 121.63 2dhx s VAL 40 Ca 0.46 0.57 -0.30 0.00 0.00 0.00 0.00 61.98 62.72 2dhx s VAL 40 Cb -0.30 -3.69 -0.18 0.00 0.00 0.00 0.00 36.38 32.22 2dhx s VAL 40 CO 0.38 0.21 1.53 0.25 0.00 0.00 0.00 175.10 177.47 2dhx h LEU 41 N 8.20 -0.57 -8.17 3.92 7.12 -1.67 -3.45 115.31 120.68 2dhx h LEU 41 Ca -0.34 -0.02 -0.11 0.00 0.13 0.00 0.00 57.88 57.55 2dhx h LEU 41 Cb 1.16 0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 41.42 2dhx h LEU 41 CO 0.67 -0.34 0.13 -0.55 -0.13 0.00 0.00 178.44 178.21 2dhx s SER 42 N -4.66 0.33 -0.16 1.25 0.15 -1.21 -5.01 113.70 104.39 2dhx s SER 42 Ca -0.16 -1.29 -0.10 0.00 0.70 0.00 0.00 55.95 55.10 2dhx s SER 42 Cb 0.03 0.80 0.05 0.00 -1.71 0.00 0.00 66.02 65.20 2dhx s SER 42 CO 0.60 -1.59 0.40 0.86 1.20 0.00 0.00 173.24 174.71 2dhx s TRP 43 N -2.45 -0.55 -0.37 3.44 -0.00 -1.26 -1.68 118.94 116.06 2dhx s TRP 43 Ca 0.20 1.21 0.03 0.00 -0.00 0.00 0.00 56.10 57.54 2dhx s TRP 43 Cb -0.04 0.23 0.11 0.00 -0.00 0.00 0.00 33.47 33.77 2dhx s TRP 43 CO 0.15 -0.31 0.12 -1.14 -0.00 0.00 0.00 176.95 175.76 2dhx s GLN 44 N 1.14 1.35 0.25 5.86 0.74 0.54 -5.01 119.66 124.54 2dhx s GLN 44 Ca -0.08 -1.82 -0.30 0.00 0.05 0.00 0.00 55.36 53.22 2dhx s GLN 44 Cb -0.07 -2.83 -0.09 0.00 1.10 0.00 0.00 33.01 31.12 2dhx s GLN 44 CO -0.10 -1.00 1.28 0.50 -0.55 0.00 0.00 175.29 175.42 2dhx s ARG 45 N 0.82 4.41 -0.07 1.67 3.52 -1.26 -0.26 118.95 127.79 2dhx s ARG 45 Ca 0.12 2.07 -0.03 0.00 -0.13 0.00 0.00 55.73 57.76 2dhx s ARG 45 Cb -0.20 -3.16 0.04 0.00 -1.56 0.00 0.00 34.95 30.07 2dhx s ARG 45 CO -0.10 -0.17 0.14 -0.51 -0.81 0.00 0.00 175.30 173.85 2dhx s LEU 46 N -0.76 0.64 0.00 -0.88 1.43 0.25 -4.81 118.68 114.55 2dhx s LEU 46 Ca 0.53 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 2dhx s LEU 46 Cb -0.37 0.33 0.00 0.00 0.03 0.00 0.00 46.19 46.18 2dhx s LEU 46 CO 0.43 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.46 2dhx n GLY 47 N 4.34 1.80 2.85 -3.19 0.00 -1.26 0.16 105.19 109.89 2dhx n GLY 47 Ca -0.24 0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.45 -0.52 0.00 0.00 0.00 0.42 -0.25 105.19 104.38 2dhx n GLY 49 Ca 0.52 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 4.09 3.71 -0.02 0.00 -0.71 0.88 105.19 113.13 2dhx n GLY 50 Ca 0.00 -1.61 -0.38 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.17 5.16 0.20 1.61 1.01 0.64 -0.34 120.40 126.50 2dhx s VAL 51 Ca 0.00 0.99 0.07 0.00 0.00 0.00 0.00 61.98 63.04 2dhx s VAL 51 Cb 0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2dhx s VAL 51 CO 0.00 0.28 0.05 -0.22 0.00 0.00 0.00 175.10 175.21 2dhx s LEU 52 N 0.91 3.44 -0.06 3.92 0.20 0.94 -0.33 118.68 127.69 2dhx s LEU 52 Ca 0.26 -0.39 0.04 0.00 0.69 0.00 0.00 54.13 54.74 2dhx s LEU 52 Cb -0.15 -2.04 -0.00 0.00 -0.43 0.00 0.00 46.19 43.57 2dhx s LEU 52 CO 0.11 0.05 -0.20 -0.89 -0.29 0.00 0.00 176.35 175.13 2dhx s THR 53 N -1.92 1.67 -0.21 3.68 2.01 -0.67 0.17 115.64 120.37 2dhx s THR 53 Ca 0.30 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.43 2dhx s THR 53 Cb -0.09 -1.44 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 2dhx s THR 53 CO 0.21 0.47 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.19 2dhx s PHE 54 N 0.12 2.93 0.18 4.92 0.40 -0.73 -1.87 117.98 123.93 2dhx s PHE 54 Ca -0.08 -0.94 -0.24 0.00 -0.60 0.00 0.00 56.93 55.07 2dhx s PHE 54 Cb -0.14 -2.07 0.06 0.00 0.51 0.00 0.00 43.02 41.38 2dhx s PHE 54 CO 0.04 -0.52 1.45 -2.13 0.70 0.00 0.00 175.22 174.75 2dhx n ARG 55 N 4.64 -0.33 -3.88 0.44 0.63 -0.92 -4.30 116.66 112.94 2dhx n ARG 55 Ca -0.18 1.43 -0.30 0.00 -0.92 0.00 0.00 57.85 57.88 2dhx n ARG 55 Cb 0.51 -2.11 -0.04 0.00 0.45 0.00 0.00 32.46 31.27 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 -5.64 3.46 -0.08 -0.14 2.02 -1.26 -4.81 118.70 112.25 2dhx s GLU 56 Ca -0.12 -0.43 -0.25 0.00 0.02 0.00 0.00 54.97 54.19 2dhx s GLU 56 Cb 0.14 -2.99 -0.21 0.00 0.10 0.00 0.00 34.13 31.17 2dhx s GLU 56 CO 0.62 0.56 0.94 -1.00 0.02 0.00 0.00 175.26 176.40 2dhx h PRO 57 N 2.80 -0.04 -0.64 0.39 0.13 -1.97 -2.82 132.00 129.85 2dhx h PRO 57 Ca -0.46 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.71 2dhx h PRO 57 Cb 1.17 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 2dhx h PRO 57 CO 0.74 0.63 0.39 0.00 -0.23 0.00 0.00 178.00 179.52 2dhx h ALA 58 N 0.09 0.83 -0.61 -0.56 0.00 -1.96 0.34 119.26 117.40 2dhx h ALA 58 Ca -0.00 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.99 2dhx h ALA 58 Cb 0.69 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2dhx h ALA 58 CO 0.01 0.12 0.41 -0.44 0.00 0.00 0.00 179.25 179.35 2dhx h ASP 59 N 0.75 0.39 0.57 0.00 5.19 -1.87 0.20 116.42 121.65 2dhx h ASP 59 Ca 0.26 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.65 2dhx h ASP 59 Cb 0.05 -0.07 0.01 0.00 0.18 0.00 0.00 39.33 39.49 2dhx h ASP 59 CO -0.12 0.24 -0.28 0.00 -3.12 0.00 0.00 179.24 175.97 2dhx h ALA 60 N 1.69 -0.77 -0.66 3.45 0.00 -0.71 -3.04 119.26 119.22 2dhx h ALA 60 Ca 0.28 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.14 2dhx h ALA 60 Cb 0.52 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 18.51 2dhx h ALA 60 CO -0.08 -0.74 0.15 0.93 0.00 0.00 0.00 179.25 179.51 2dhx h GLU 61 N -1.15 0.26 -1.11 0.00 4.39 -0.65 0.31 114.58 116.63 2dhx h GLU 61 Ca -0.08 -0.02 0.31 0.00 0.34 0.00 0.00 59.36 59.92 2dhx h GLU 61 Cb 0.63 -0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 29.12 2dhx h GLU 61 CO 0.13 0.17 0.72 0.00 -1.16 0.00 0.00 179.01 178.87 2dhx h ARG 62 N 0.27 0.29 0.08 2.33 2.47 -0.63 1.49 114.38 120.68 2dhx h ARG 62 Ca 0.36 -0.02 -0.26 0.00 -1.26 0.00 0.00 59.98 58.80 2dhx h ARG 62 Cb 0.56 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 28.83 2dhx h ARG 62 CO -0.45 0.19 -1.13 0.28 0.56 0.00 0.00 179.97 179.42 2dhx h VAL 63 N 0.30 1.40 -0.39 2.04 2.07 -0.32 -3.23 116.25 118.12 2dhx h VAL 63 Ca 0.65 -2.64 -0.12 0.00 0.82 0.00 0.00 66.70 65.40 2dhx h VAL 63 Cb 1.80 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 34.23 2dhx h VAL 63 CO -0.31 0.79 -0.24 -0.07 0.02 0.00 0.00 177.57 177.75 2dhx h LEU 64 N 0.19 0.82 -1.75 2.57 3.38 0.20 -2.74 115.31 117.99 2dhx h LEU 64 Ca -0.13 -0.31 0.53 0.00 0.09 0.00 0.00 57.88 58.06 2dhx h LEU 64 Cb 1.80 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 42.23 2dhx h LEU 64 CO 0.20 1.03 1.23 0.00 0.09 0.00 0.00 178.44 180.99 2dhx n ALA 65 N -2.51 1.69 -2.55 1.53 0.00 0.43 -3.62 120.51 115.49 2dhx n ALA 65 Ca -0.00 0.68 -0.42 0.00 0.00 0.00 0.00 53.44 53.71 2dhx n ALA 65 Cb 0.45 -1.08 -0.08 0.00 0.00 0.00 0.00 19.45 18.75 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 -4.88 3.53 0.00 0.00 0.74 -1.03 -4.90 119.66 113.11 2dhx s GLN 66 Ca -0.05 -0.24 0.25 0.00 0.05 0.00 0.00 55.36 55.37 2dhx s GLN 66 Cb 0.27 -3.84 1.49 0.00 1.10 0.00 0.00 33.01 32.03 2dhx s GLN 66 CO 0.84 -0.72 1.87 0.00 -0.55 0.00 0.00 175.29 176.74 2dhx n ALA 67 N 5.81 2.43 -2.47 1.58 0.00 -1.24 -4.67 120.51 121.94 2dhx n ALA 67 Ca -0.04 -0.16 -0.26 0.00 0.00 0.00 0.00 53.44 52.98 2dhx n ALA 67 Cb 0.49 -1.41 -0.15 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.06 2.38 -0.25 0.00 -1.08 -1.26 -4.81 116.67 109.59 2dhx s ASP 68 Ca 0.37 -0.44 -0.08 0.00 -0.52 0.00 0.00 52.55 51.87 2dhx s ASP 68 Cb 0.17 -0.23 0.12 0.00 -1.46 0.00 0.00 42.92 41.52 2dhx s ASP 68 CO 0.30 0.19 0.53 -1.00 0.52 0.00 0.00 175.17 175.72 2dhx s HIS 69 N -0.65 -1.09 -0.11 -5.34 3.76 -1.21 -5.00 115.29 105.65 2dhx s HIS 69 Ca 0.07 1.88 -0.00 0.00 -0.15 0.00 0.00 55.06 56.86 2dhx s HIS 69 Cb -0.08 0.54 -0.02 0.00 1.11 0.00 0.00 32.58 34.12 2dhx s HIS 69 CO 0.01 -0.60 -0.09 -2.00 -0.85 0.00 0.00 174.74 171.21 2dhx s GLU 70 N 2.75 3.18 -0.29 1.40 2.12 -1.26 0.25 118.70 126.85 2dhx s GLU 70 Ca -0.02 -0.60 0.02 0.00 0.36 0.00 0.00 54.97 54.73 2dhx s GLU 70 Cb -0.12 -2.67 0.15 0.00 0.26 0.00 0.00 34.13 31.75 2dhx s GLU 70 CO -0.16 0.40 0.38 -1.17 -0.54 0.00 0.00 175.26 174.18 2dhx s LEU 71 N -0.12 -0.64 -0.53 2.70 2.96 -1.19 -4.96 118.68 116.90 2dhx s LEU 71 Ca 0.00 -0.53 -0.00 0.00 -0.22 0.00 0.00 54.13 53.39 2dhx s LEU 71 Cb -0.13 0.95 -0.00 0.00 0.50 0.00 0.00 46.19 47.51 2dhx s LEU 71 CO 0.03 -0.36 0.50 1.41 -1.32 0.00 0.00 176.35 176.61 2dhx n HIS 72 N 5.29 -2.08 -3.00 5.38 8.25 -1.26 -4.31 115.22 123.49 2dhx n HIS 72 Ca 0.01 0.79 -0.12 0.00 -0.26 0.00 0.00 57.72 58.13 2dhx n HIS 72 Cb 0.49 -3.36 0.01 0.00 1.12 0.00 0.00 29.99 28.25 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 -1.53 0.06 0.00 -1.41 0.00 -1.26 -4.96 105.19 96.09 2dhx n GLY 73 Ca -0.00 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 0.73 0.00 -3.27 4.61 0.00 -1.26 -5.03 120.51 116.29 2dhx n ALA 74 Ca -0.03 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.96 2dhx n ALA 74 Cb 0.50 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 -0.65 0.00 0.00 0.00 177.50 176.85 2dhx s GLN 75 N -1.90 2.98 -0.13 0.00 -0.21 -1.26 -3.16 119.66 115.98 2dhx s GLN 75 Ca 0.00 -1.67 -0.21 0.00 0.02 0.00 0.00 55.36 53.50 2dhx s GLN 75 Cb 0.00 -4.27 -0.03 0.00 1.00 0.00 0.00 33.01 29.70 2dhx s GLN 75 CO 0.00 -1.29 0.62 -0.51 -2.12 0.00 0.00 175.29 171.98 2dhx s LEU 76 N 1.60 4.24 -0.46 2.90 2.01 0.14 -4.74 118.68 124.37 2dhx s LEU 76 Ca 0.03 0.95 -0.16 0.00 0.01 0.00 0.00 54.13 54.96 2dhx s LEU 76 Cb -0.29 -2.91 0.05 0.00 0.01 0.00 0.00 46.19 43.04 2dhx s LEU 76 CO 0.03 -0.15 0.42 -0.44 1.01 0.00 0.00 176.35 177.22 2dhx s SER 77 N 0.92 6.16 -0.00 2.29 0.01 0.15 -3.31 113.70 119.92 2dhx s SER 77 Ca 0.31 -1.04 -0.18 0.00 1.31 0.00 0.00 55.95 56.36 2dhx s SER 77 Cb -0.16 -2.21 -0.06 0.00 0.21 0.00 0.00 66.02 63.81 2dhx s SER 77 CO 0.13 -0.64 0.50 -0.76 0.41 0.00 0.00 173.24 172.88 2dhx s LEU 78 N 1.92 4.44 0.12 2.44 2.01 -1.26 -0.22 118.68 128.14 2dhx s LEU 78 Ca 0.08 1.05 -0.15 0.00 0.01 0.00 0.00 54.13 55.12 2dhx s LEU 78 Cb -0.21 -2.75 0.03 0.00 0.01 0.00 0.00 46.19 43.27 2dhx s LEU 78 CO 0.10 0.21 0.37 -0.13 1.01 0.00 0.00 176.35 177.91 2dhx s ARG 79 N -0.61 1.04 -0.14 1.70 0.52 -0.17 -4.95 118.95 116.34 2dhx s ARG 79 Ca 0.27 -0.75 -0.29 0.00 -0.52 0.00 0.00 55.73 54.44 2dhx s ARG 79 Cb -0.17 0.45 -0.02 0.00 0.52 0.00 0.00 34.95 35.73 2dhx s ARG 79 CO 0.15 -0.40 1.27 -1.25 0.02 0.00 0.00 175.30 175.09 2dhx s PRO 80 N -3.81 4.25 0.76 3.54 0.04 -1.26 0.19 135.00 138.71 2dhx s PRO 80 Ca 0.03 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 2dhx s PRO 80 Cb 0.02 -3.73 0.05 0.00 0.04 0.00 0.00 34.50 30.88 2dhx s PRO 80 CO -0.12 -0.67 1.12 0.00 0.04 0.00 0.00 177.00 177.38 2dhx s ALA 81 N 3.28 2.16 -0.33 8.56 0.00 -1.06 -4.55 121.76 129.82 2dhx s ALA 81 Ca 0.56 0.47 -0.29 0.00 0.00 0.00 0.00 51.96 52.69 2dhx s ALA 81 Cb -0.23 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2dhx s ALA 81 CO 0.16 -1.82 1.37 -1.25 0.00 0.00 0.00 175.76 174.22 2dhx s PRO 82 N -4.53 3.79 0.53 0.00 0.04 -1.26 -4.88 135.00 128.70 2dhx s PRO 82 Ca 0.65 1.18 -0.18 0.00 0.04 0.00 0.00 61.00 62.69 2dhx s PRO 82 Cb -0.20 -3.94 -0.06 0.00 0.04 0.00 0.00 34.50 30.33 2dhx s PRO 82 CO 0.51 -1.28 1.04 -1.25 0.04 0.00 0.00 177.00 176.06 2dhx s PRO 83 N 4.47 3.61 -0.76 0.56 0.04 -1.26 -5.01 135.00 136.66 2dhx s PRO 83 Ca 0.59 1.27 -0.10 0.00 0.04 0.00 0.00 61.00 62.80 2dhx s PRO 83 Cb -0.16 -2.07 0.20 0.00 0.04 0.00 0.00 34.50 32.50 2dhx s PRO 83 CO 0.27 -0.58 0.65 1.03 0.04 0.00 0.00 177.00 178.41 2dhx s ARG 84 N -3.63 3.23 0.07 4.56 3.00 -1.26 -4.87 118.95 120.05 2dhx s ARG 84 Ca 0.65 -2.50 0.00 0.00 0.00 0.00 0.00 55.73 53.89 2dhx s ARG 84 Cb -0.16 -4.17 0.00 0.00 0.00 0.00 0.00 34.95 30.62 2dhx s ARG 84 CO 0.28 -1.25 0.00 0.00 0.00 0.00 0.00 175.30 174.33 2dhx n ALA 85 N 3.78 -2.61 -2.40 2.13 0.00 -1.26 -4.82 120.51 115.32 2dhx n ALA 85 Ca 0.12 0.19 -0.43 0.00 0.00 0.00 0.00 53.44 53.32 2dhx n ALA 85 Cb 0.44 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 2dhx n ALA 85 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dhx s PRO 86 N -1.96 4.10 -0.71 0.00 0.04 -1.26 -3.93 135.00 131.28 2dhx s PRO 86 Ca 0.00 1.53 -0.07 0.00 0.04 0.00 0.00 61.00 62.50 2dhx s PRO 86 Cb 0.00 -3.82 0.01 0.00 0.04 0.00 0.00 34.50 30.73 2dhx s PRO 86 CO 0.00 -0.88 0.64 0.00 0.04 0.00 0.00 177.00 176.80 2dhx n ALA 87 N 7.06 -2.66 -2.20 8.56 0.00 -1.26 -4.93 120.51 125.08 2dhx n ALA 87 Ca 0.14 0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.27 2dhx n ALA 87 Cb 0.45 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 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 -3.79 4.12 -0.33 0.00 3.52 -1.25 -5.04 118.95 116.18 2dhx s ARG 88 Ca 0.08 0.70 -0.05 0.00 -0.13 0.00 0.00 55.73 56.33 2dhx s ARG 88 Cb -0.01 -2.85 0.19 0.00 -1.56 0.00 0.00 34.95 30.72 2dhx s ARG 88 CO 0.84 0.40 0.92 -1.17 -0.81 0.00 0.00 175.30 175.48 2dhx s LEU 89 N -2.09 -0.71 -0.15 -0.88 1.98 -1.26 -5.15 118.68 110.42 2dhx s LEU 89 Ca 0.42 -0.18 -0.10 0.00 -2.89 0.00 0.00 54.13 51.38 2dhx s LEU 89 Cb -0.15 1.10 0.05 0.00 0.66 0.00 0.00 46.19 47.85 2dhx s LEU 89 CO 0.20 -0.10 0.37 -0.22 -1.89 0.00 0.00 176.35 174.71 2dhx s LEU 90 N 2.31 0.21 -0.14 -0.68 0.20 -1.26 -5.11 118.68 114.21 2dhx s LEU 90 Ca 0.18 0.78 -0.34 0.00 0.69 0.00 0.00 54.13 55.44 2dhx s LEU 90 Cb -0.01 1.22 -0.12 0.00 -0.43 0.00 0.00 46.19 46.86 2dhx s LEU 90 CO -0.17 -0.17 1.93 0.18 -0.29 0.00 0.00 176.35 177.83 2dhx n LEU 91 N 3.80 3.23 -3.66 -0.68 7.99 -1.26 -4.93 117.00 121.49 2dhx n LEU 91 Ca -0.20 0.87 -0.06 0.00 -0.01 0.00 0.00 56.01 56.61 2dhx n LEU 91 Cb 0.56 -1.35 -0.07 0.00 -0.11 0.00 0.00 43.42 42.44 2dhx n LEU 91 CO 0.11 -0.19 0.23 -1.58 -1.51 0.00 0.00 177.39 174.45 2dhx s GLN 92 N 4.43 0.56 0.00 3.23 2.00 -1.26 -5.04 119.66 123.58 2dhx s GLN 92 Ca 0.96 1.19 0.00 0.00 -2.00 0.00 0.00 55.36 55.51 2dhx s GLN 92 Cb -0.72 0.35 0.00 0.00 0.80 0.00 0.00 33.01 33.44 2dhx s GLN 92 CO 0.52 -0.18 0.00 0.41 -0.50 0.00 0.00 175.29 175.54 2dhx n GLY 93 N 4.78 0.76 3.06 2.59 0.00 -1.26 -4.99 105.19 110.13 2dhx n GLY 93 Ca -0.17 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 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 2.36 0.91 0.99 1.02 -1.26 -4.87 118.68 117.83 2dhx s LEU 94 Ca 0.00 -0.74 -0.12 0.00 0.02 0.00 0.00 54.13 53.29 2dhx s LEU 94 Cb 0.00 0.06 0.14 0.00 0.02 0.00 0.00 46.19 46.41 2dhx s LEU 94 CO 0.00 -0.40 1.14 -2.16 0.02 0.00 0.00 176.35 174.95 2dhx s PRO 95 N -2.58 1.12 1.07 1.29 0.04 -1.26 -4.64 135.00 130.05 2dhx s PRO 95 Ca -0.04 0.28 -0.17 0.00 0.04 0.00 0.00 61.00 61.10 2dhx s PRO 95 Cb -0.02 -1.84 0.24 0.00 0.04 0.00 0.00 34.50 32.92 2dhx s PRO 95 CO -0.04 -2.21 1.22 -1.25 0.04 0.00 0.00 177.00 174.76 2dhx s PRO 96 N -5.29 -0.22 0.00 0.56 0.04 -1.26 -5.05 135.00 123.77 2dhx s PRO 96 Ca 0.64 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.46 2dhx s PRO 96 Cb -0.15 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2dhx s PRO 96 CO 0.53 -3.02 0.00 0.41 0.04 0.00 0.00 177.00 174.96 2dhx n GLY 97 N -2.39 1.69 2.76 0.56 0.00 -1.26 -5.13 105.19 101.42 2dhx n GLY 97 Ca 0.14 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 1.11 0.08 2.61 2.01 -1.26 -5.11 115.64 115.08 2dhx s THR 98 Ca 0.00 -1.67 -0.11 0.00 0.31 0.00 0.00 61.69 60.21 2dhx s THR 98 Cb 0.00 -1.83 -0.06 0.00 0.01 0.00 0.00 72.50 70.62 2dhx s THR 98 CO 0.00 -0.70 0.43 -0.44 -0.69 0.00 0.00 174.62 173.22 2dhx s SER 99 N 1.36 6.70 0.23 3.53 0.01 -1.26 -5.10 113.70 119.17 2dhx s SER 99 Ca 0.11 0.88 0.09 0.00 1.31 0.00 0.00 55.95 58.34 2dhx s SER 99 Cb -0.18 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 2dhx s SER 99 CO -0.19 0.18 -0.06 -0.83 0.41 0.00 0.00 173.24 172.74 2dhx s GLY 100 N -1.66 1.71 -0.03 3.44 0.00 -1.26 -5.10 107.32 104.42 2dhx s GLY 100 Ca 0.33 -1.59 -0.30 0.00 0.00 0.00 0.00 44.72 43.16 2dhx s GLY 100 CO 0.18 -1.64 1.21 2.56 0.00 0.00 0.00 173.10 175.41 2dhx s PRO 101 N -3.26 4.37 -0.27 2.90 0.04 -1.26 -5.01 135.00 132.50 2dhx s PRO 101 Ca 0.28 1.71 -0.14 0.00 0.04 0.00 0.00 61.00 62.89 2dhx s PRO 101 Cb -0.07 -3.52 0.09 0.00 0.04 0.00 0.00 34.50 31.04 2dhx s PRO 101 CO 0.17 -0.41 0.66 0.45 0.04 0.00 0.00 177.00 177.91 2dhx s SER 102 N 1.42 -0.95 0.49 6.66 0.15 -1.26 -5.13 113.70 115.09 2dhx s SER 102 Ca 0.57 1.48 0.00 0.00 0.70 0.00 0.00 55.95 58.70 2dhx s SER 102 Cb -0.26 1.52 0.00 0.00 -1.71 0.00 0.00 66.02 65.57 2dhx s SER 102 CO 0.24 -0.23 0.00 -0.24 1.20 0.00 0.00 173.24 174.20 2dhx n SER 103 N 4.55 -6.65 0.00 5.45 2.88 -1.26 -5.32 113.62 113.27 2dhx n SER 103 Ca -0.19 1.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 2dhx n SER 103 Cb 0.57 -3.97 0.00 0.00 -0.75 0.00 0.00 64.21 60.06 2dhx n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42