#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhx n SER 2 N 0.00 -0.13 -0.09 1.61 2.88 -1.26 -4.99 113.62 111.64 2dhx n SER 2 Ca 0.00 0.49 -0.12 0.00 -1.33 0.00 0.00 58.87 57.91 2dhx n SER 2 Cb 0.00 0.39 -0.05 0.00 -0.75 0.00 0.00 64.21 63.81 2dhx n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dhx n SER 3 N -3.49 1.87 -1.18 -3.46 2.88 -1.26 -5.10 113.62 103.88 2dhx n SER 3 Ca 0.00 0.48 0.15 0.00 -1.33 0.00 0.00 58.87 58.17 2dhx n SER 3 Cb 0.00 -0.84 -0.07 0.00 -0.75 0.00 0.00 64.21 62.55 2dhx n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dhx n GLY 4 N 1.50 -2.91 2.07 0.46 0.00 -1.26 -5.03 105.19 100.03 2dhx n GLY 4 Ca -0.19 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2dhx n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dhx n SER 5 N -3.95 -1.38 -1.57 1.61 7.64 -1.26 -5.10 113.62 109.61 2dhx n SER 5 Ca -0.06 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.24 2dhx n SER 5 Cb 0.56 1.46 0.00 0.00 -1.01 0.00 0.00 64.21 65.21 2dhx n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dhx n SER 6 N -3.05 -8.47 -3.78 6.43 7.64 -1.26 -4.92 113.62 106.21 2dhx n SER 6 Ca 0.00 1.62 -0.30 0.00 1.01 0.00 0.00 58.87 61.20 2dhx n SER 6 Cb 0.00 -4.94 -0.15 0.00 -1.01 0.00 0.00 64.21 58.11 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 -4.61 1.27 0.00 0.23 0.00 -1.26 -5.09 107.32 97.86 2dhx s GLY 7 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 42.83 2dhx s GLY 7 CO 0.00 1.49 0.00 0.61 0.00 0.00 0.00 173.10 175.20 2dhx n GLY 8 N 4.66 -0.06 2.85 0.20 0.00 -1.26 -4.84 105.19 106.74 2dhx n GLY 8 Ca -0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 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 0.06 0.02 1.61 1.01 -1.26 -4.97 120.40 116.88 2dhx s VAL 9 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2dhx s VAL 9 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.27 2dhx s VAL 9 CO 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 175.10 175.08 2dhx s ALA 10 N 0.33 0.57 -0.06 5.51 0.00 -1.26 -1.45 121.76 125.40 2dhx s ALA 10 Ca -0.03 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.40 2dhx s ALA 10 Cb -0.05 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.05 2dhx s ALA 10 CO -0.01 0.05 -0.09 0.08 0.00 0.00 0.00 175.76 175.79 2dhx s VAL 11 N -0.83 0.89 -0.53 0.00 1.01 0.49 -3.75 120.40 117.69 2dhx s VAL 11 Ca -0.04 -0.33 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 2dhx s VAL 11 Cb -0.07 -0.84 0.04 0.00 0.00 0.00 0.00 36.38 35.52 2dhx s VAL 11 CO 0.00 0.30 0.87 -0.70 0.00 0.00 0.00 175.10 175.58 2dhx s GLU 12 N 0.76 3.32 0.14 2.72 2.12 0.49 0.12 118.70 128.35 2dhx s GLU 12 Ca -0.13 -0.32 -0.12 0.00 0.36 0.00 0.00 54.97 54.75 2dhx s GLU 12 Cb -0.15 -4.04 -0.07 0.00 0.26 0.00 0.00 34.13 30.13 2dhx s GLU 12 CO 0.02 -1.39 0.50 0.08 -0.54 0.00 0.00 175.26 173.94 2dhx s VAL 13 N 3.66 4.94 0.08 3.70 1.01 0.56 -1.50 120.40 132.85 2dhx s VAL 13 Ca 0.28 0.65 0.03 0.00 0.00 0.00 0.00 61.98 62.94 2dhx s VAL 13 Cb -0.13 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2dhx s VAL 13 CO 0.19 0.21 -0.08 0.00 0.00 0.00 0.00 175.10 175.41 2dhx s ARG 14 N -2.08 0.73 -0.67 2.72 1.70 -0.73 -1.32 118.95 119.29 2dhx s ARG 14 Ca 0.38 -1.06 -0.04 0.00 -0.47 0.00 0.00 55.73 54.54 2dhx s ARG 14 Cb -0.14 -0.36 0.01 0.00 -0.57 0.00 0.00 34.95 33.88 2dhx s ARG 14 CO 0.19 0.04 0.67 0.41 -1.08 0.00 0.00 175.30 175.54 2dhx n GLY 15 N 0.73 -1.25 2.89 3.88 0.00 -0.43 -2.02 105.19 108.99 2dhx n GLY 15 Ca -0.17 0.66 -0.28 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.71 1.47 0.51 0.99 2.96 -1.25 -4.15 118.68 115.49 2dhx s LEU 16 Ca 0.06 -0.55 -0.19 0.00 -0.22 0.00 0.00 54.13 53.23 2dhx s LEU 16 Cb -0.02 -0.88 -0.07 0.00 0.50 0.00 0.00 46.19 45.72 2dhx s LEU 16 CO 0.76 -0.17 1.04 -2.16 -1.32 0.00 0.00 176.35 174.50 2dhx s PRO 17 N 1.66 3.70 0.12 0.98 0.04 -1.26 -3.89 135.00 136.36 2dhx s PRO 17 Ca 0.02 1.31 -0.08 0.00 0.04 0.00 0.00 61.00 62.29 2dhx s PRO 17 Cb -0.14 -2.08 -0.12 0.00 0.04 0.00 0.00 34.50 32.19 2dhx s PRO 17 CO -0.08 -0.51 1.29 -1.00 0.04 0.00 0.00 177.00 176.75 2dhx h PRO 18 N 1.29 0.57 -1.45 0.56 0.13 -2.00 -3.17 132.00 127.94 2dhx h PRO 18 Ca -0.49 -0.56 0.47 0.00 -0.87 0.00 0.00 66.00 64.55 2dhx h PRO 18 Cb 1.22 0.14 -0.12 0.00 0.13 0.00 0.00 31.00 32.37 2dhx h PRO 18 CO 0.59 1.18 0.96 0.00 -0.23 0.00 0.00 178.00 180.49 2dhx h ALA 19 N 0.64 2.97 -2.28 -0.56 0.00 -2.00 -3.33 119.26 114.69 2dhx h ALA 19 Ca -0.08 0.09 -0.59 0.00 0.00 0.00 0.00 54.91 54.33 2dhx h ALA 19 Cb 1.54 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 19.46 2dhx h ALA 19 CO 0.17 -1.60 0.49 0.08 0.00 0.00 0.00 179.25 178.39 2dhx s VAL 20 N -5.21 4.83 0.47 0.00 1.01 -1.20 -5.03 120.40 115.27 2dhx s VAL 20 Ca -0.07 1.63 -0.21 0.00 0.00 0.00 0.00 61.98 63.33 2dhx s VAL 20 Cb 0.30 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 2dhx s VAL 20 CO 0.84 -0.06 1.04 -2.16 0.00 0.00 0.00 175.10 174.75 2dhx s PRO 21 N 2.74 3.87 0.43 2.72 0.04 -1.25 -4.91 135.00 138.63 2dhx s PRO 21 Ca 0.37 1.39 0.17 0.00 0.04 0.00 0.00 61.00 62.97 2dhx s PRO 21 Cb -0.15 -2.18 1.09 0.00 0.04 0.00 0.00 34.50 33.30 2dhx s PRO 21 CO 0.08 -0.38 1.89 -0.44 0.04 0.00 0.00 177.00 178.19 2dhx h ASP 22 N 1.74 0.38 -0.63 6.66 3.32 -1.96 -1.21 116.42 124.72 2dhx h ASP 22 Ca -0.49 0.03 0.10 0.00 0.02 0.00 0.00 57.03 56.69 2dhx h ASP 22 Cb 1.22 -0.04 -0.12 0.00 0.22 0.00 0.00 39.33 40.61 2dhx h ASP 22 CO 0.60 0.17 -0.37 -0.08 -1.72 0.00 0.00 179.24 177.84 2dhx h GLU 23 N 0.39 -0.16 0.10 3.56 4.81 -1.99 0.17 114.58 121.46 2dhx h GLU 23 Ca 0.42 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.66 2dhx h GLU 23 Cb 1.05 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.47 2dhx h GLU 23 CO -0.14 -0.11 -0.05 -0.07 -0.73 0.00 0.00 179.01 177.91 2dhx h LEU 24 N -0.17 -0.12 -1.00 1.64 3.38 -1.62 0.54 115.31 117.97 2dhx h LEU 24 Ca 0.23 -0.22 0.40 0.00 0.09 0.00 0.00 57.88 58.37 2dhx h LEU 24 Cb 0.56 0.03 -0.18 0.00 0.09 0.00 0.00 40.66 41.16 2dhx h LEU 24 CO -0.71 0.16 0.46 0.25 0.09 0.00 0.00 178.44 178.69 2dhx h LEU 25 N -0.40 0.19 0.06 1.67 5.85 -0.74 1.12 115.31 123.06 2dhx h LEU 25 Ca -0.01 0.26 -0.16 0.00 0.84 0.00 0.00 57.88 58.80 2dhx h LEU 25 Cb 0.33 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2dhx h LEU 25 CO 0.02 -0.42 -0.84 0.71 -0.34 0.00 0.00 178.44 177.57 2dhx h THR 26 N 0.00 1.32 -1.03 1.05 1.35 -0.40 -2.75 112.91 112.45 2dhx h THR 26 Ca 0.81 -2.35 0.26 0.00 -0.55 0.00 0.00 66.41 64.57 2dhx h THR 26 Cb 2.09 2.89 -0.09 0.00 -1.73 0.00 0.00 68.15 71.31 2dhx h THR 26 CO -0.79 0.58 0.66 0.17 -0.25 0.00 0.00 175.52 175.89 2dhx h LEU 27 N -0.70 0.44 0.21 3.87 8.10 0.43 1.54 115.31 129.20 2dhx h LEU 27 Ca -0.19 0.08 -0.01 0.00 0.11 0.00 0.00 57.88 57.86 2dhx h LEU 27 Cb 1.39 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.62 2dhx h LEU 27 CO -0.01 0.10 -0.10 0.22 -4.11 0.00 0.00 178.44 174.54 2dhx h TYR 28 N 0.40 -0.26 -0.25 0.17 3.20 0.94 -1.60 116.97 119.57 2dhx h TYR 28 Ca 0.58 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.51 2dhx h TYR 28 Cb 1.46 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.81 2dhx h TYR 28 CO -0.00 -0.04 0.18 0.74 -1.64 0.00 0.00 178.16 177.40 2dhx h PHE 29 N -1.04 0.00 -0.02 -3.82 0.04 -1.00 -0.60 116.94 110.51 2dhx h PHE 29 Ca -0.03 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.50 2dhx h PHE 29 Cb 0.34 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.50 2dhx h PHE 29 CO 0.03 0.00 -0.97 0.93 -0.60 0.00 0.00 178.31 177.70 2dhx h GLU 30 N 0.00 0.58 -7.02 1.51 5.08 0.21 -3.33 114.58 111.61 2dhx h GLU 30 Ca 0.12 -0.60 -0.53 0.00 -1.00 0.00 0.00 59.36 57.35 2dhx h GLU 30 Cb 0.48 0.17 0.10 0.00 0.50 0.00 0.00 28.75 29.99 2dhx h GLU 30 CO -0.00 1.22 0.55 -0.80 -1.00 0.00 0.00 179.01 178.97 2dhx s ASN 31 N -7.18 5.74 -0.16 1.42 0.01 -0.23 -4.26 114.94 110.29 2dhx s ASN 31 Ca -0.08 2.54 -0.18 0.00 -0.71 0.00 0.00 52.86 54.43 2dhx s ASN 31 Cb 0.08 -2.62 -0.15 0.00 0.41 0.00 0.00 41.25 38.97 2dhx s ASN 31 CO 0.89 -1.23 0.27 -0.09 -1.51 0.00 0.00 177.10 175.43 2dhx h ARG 32 N 1.79 0.00 -0.53 -0.60 2.43 -1.82 -3.00 114.38 112.65 2dhx h ARG 32 Ca -0.50 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.73 2dhx h ARG 32 Cb 1.27 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.77 2dhx h ARG 32 CO 0.59 0.65 0.25 0.00 -1.51 0.00 0.00 179.97 179.95 2dhx h ARG 33 N -1.00 0.47 0.09 0.20 3.08 -1.93 0.28 114.38 115.57 2dhx h ARG 33 Ca -0.13 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.90 2dhx h ARG 33 Cb 0.85 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 2dhx h ARG 33 CO -0.08 0.31 -0.35 0.00 -1.07 0.00 0.00 179.97 178.78 2dhx h ARG 34 N 0.48 -0.49 0.00 0.04 2.47 -1.84 -3.42 114.38 111.62 2dhx h ARG 34 Ca 0.24 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 2dhx h ARG 34 Cb 0.19 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 2dhx h ARG 34 CO -0.19 -0.33 -0.05 -1.13 0.56 0.00 0.00 179.97 178.83 2dhx n SER 35 N -4.46 0.62 0.00 7.04 3.41 -1.09 -5.00 113.62 114.13 2dhx n SER 35 Ca -0.06 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2dhx n SER 35 Cb 0.28 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2dhx n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dhx n GLY 36 N 3.30 0.43 0.00 5.00 0.00 0.96 -4.87 105.19 110.01 2dhx n GLY 36 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 5.10 0.00 -0.02 0.00 -1.23 -4.10 105.19 104.93 2dhx n GLY 37 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 4.42 5.34 3.67 -0.02 0.00 -1.25 -4.64 105.19 112.71 2dhx n GLY 38 Ca 0.00 -1.03 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 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 2.67 4.27 0.20 1.61 0.04 -1.26 -4.15 135.00 138.38 2dhx s PRO 39 Ca 0.00 1.69 -0.28 0.00 0.04 0.00 0.00 61.00 62.44 2dhx s PRO 39 Cb 0.00 -3.69 -0.08 0.00 0.04 0.00 0.00 34.50 30.77 2dhx s PRO 39 CO 0.00 -0.62 0.87 0.08 0.04 0.00 0.00 177.00 177.38 2dhx s VAL 40 N 3.03 4.23 -0.11 -0.36 1.01 -1.26 -2.61 120.40 124.34 2dhx s VAL 40 Ca 0.56 1.93 -0.11 0.00 0.00 0.00 0.00 61.98 64.36 2dhx s VAL 40 Cb -0.23 -4.25 -0.09 0.00 0.00 0.00 0.00 36.38 31.81 2dhx s VAL 40 CO 0.18 0.49 0.31 0.25 0.00 0.00 0.00 175.10 176.33 2dhx h LEU 41 N 4.37 -0.03 -8.42 3.92 7.12 -1.59 -3.44 115.31 117.25 2dhx h LEU 41 Ca -0.46 -0.33 -0.23 0.00 0.13 0.00 0.00 57.88 57.00 2dhx h LEU 41 Cb 1.20 0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 41.28 2dhx h LEU 41 CO 0.68 0.63 -0.08 -0.55 -0.13 0.00 0.00 178.44 178.98 2dhx s SER 42 N -5.73 0.79 -0.14 1.25 0.15 -1.16 -5.00 113.70 103.85 2dhx s SER 42 Ca -0.07 -1.45 -0.09 0.00 0.70 0.00 0.00 55.95 55.04 2dhx s SER 42 Cb -0.01 0.72 0.05 0.00 -1.71 0.00 0.00 66.02 65.06 2dhx s SER 42 CO 0.25 -1.41 0.34 0.86 1.20 0.00 0.00 173.24 174.48 2dhx s TRP 43 N -2.80 -0.45 -0.38 3.44 -0.00 -1.26 -1.48 118.94 116.01 2dhx s TRP 43 Ca 0.27 1.02 0.04 0.00 -0.00 0.00 0.00 56.10 57.43 2dhx s TRP 43 Cb -0.02 0.16 0.11 0.00 -0.00 0.00 0.00 33.47 33.72 2dhx s TRP 43 CO 0.19 -0.25 0.11 -1.14 -0.00 0.00 0.00 176.95 175.85 2dhx s GLN 44 N 0.90 1.53 -0.08 5.86 0.74 0.16 -4.99 119.66 123.79 2dhx s GLN 44 Ca -0.06 -1.99 -0.30 0.00 0.05 0.00 0.00 55.36 53.06 2dhx s GLN 44 Cb -0.07 -3.11 -0.03 0.00 1.10 0.00 0.00 33.01 30.90 2dhx s GLN 44 CO -0.07 -0.99 1.17 0.50 -0.55 0.00 0.00 175.29 175.35 2dhx s ARG 45 N 0.67 4.35 0.00 1.67 3.52 -1.26 -0.18 118.95 127.71 2dhx s ARG 45 Ca 0.12 1.62 0.00 0.00 -0.13 0.00 0.00 55.73 57.34 2dhx s ARG 45 Cb -0.21 -3.57 0.00 0.00 -1.56 0.00 0.00 34.95 29.61 2dhx s ARG 45 CO -0.07 -0.45 0.00 1.28 -0.81 0.00 0.00 175.30 175.25 2dhx n LEU 46 N 5.30 0.00 -4.61 -0.88 4.77 -0.13 -4.87 117.00 116.58 2dhx n LEU 46 Ca 0.11 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.66 2dhx n LEU 46 Cb 0.46 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 2dhx n LEU 46 CO 0.55 0.00 1.62 -0.83 -1.33 0.00 0.00 177.39 177.39 2dhx s GLY 47 N -0.89 0.82 -1.13 -0.72 0.00 -1.26 -2.98 107.32 101.17 2dhx s GLY 47 Ca 0.00 0.56 -0.22 0.00 0.00 0.00 0.00 44.72 45.06 2dhx s GLY 47 CO 0.00 3.42 0.76 0.00 0.00 0.00 0.00 173.10 177.29 2dhx n GLY 49 N -1.77 0.16 0.00 0.00 0.00 -1.16 -1.32 105.19 101.10 2dhx n GLY 49 Ca -0.10 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 4.17 3.73 -0.02 0.00 -0.44 -0.95 105.19 111.67 2dhx n GLY 50 Ca 0.00 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.11 5.13 0.17 1.61 1.01 0.74 -0.32 120.40 126.63 2dhx s VAL 51 Ca 0.00 1.09 0.07 0.00 0.00 0.00 0.00 61.98 63.14 2dhx s VAL 51 Cb 0.00 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2dhx s VAL 51 CO 0.00 0.32 -0.01 -0.22 0.00 0.00 0.00 175.10 175.19 2dhx s LEU 52 N 0.58 3.30 -0.17 3.92 0.20 0.31 0.40 118.68 127.22 2dhx s LEU 52 Ca 0.29 -0.39 0.00 0.00 0.69 0.00 0.00 54.13 54.72 2dhx s LEU 52 Cb -0.16 -1.97 0.01 0.00 -0.43 0.00 0.00 46.19 43.64 2dhx s LEU 52 CO 0.13 0.10 -0.16 -0.89 -0.29 0.00 0.00 176.35 175.23 2dhx s THR 53 N -1.69 2.49 -0.40 3.68 2.01 -0.55 0.19 115.64 121.37 2dhx s THR 53 Ca 0.27 -0.81 -0.12 0.00 0.31 0.00 0.00 61.69 61.33 2dhx s THR 53 Cb -0.09 -2.06 0.04 0.00 0.01 0.00 0.00 72.50 70.40 2dhx s THR 53 CO 0.18 0.51 0.26 -0.36 -0.69 0.00 0.00 174.62 174.53 2dhx s PHE 54 N 1.03 3.25 0.32 4.92 0.40 -0.53 -1.53 117.98 125.85 2dhx s PHE 54 Ca -0.01 -0.93 0.14 0.00 -0.60 0.00 0.00 56.93 55.52 2dhx s PHE 54 Cb -0.15 -2.63 1.07 0.00 0.51 0.00 0.00 43.02 41.82 2dhx s PHE 54 CO -0.04 -0.68 1.46 -2.13 0.70 0.00 0.00 175.22 174.53 2dhx n ARG 55 N 5.06 -0.06 -4.87 0.44 0.63 -1.07 -3.98 116.66 112.81 2dhx n ARG 55 Ca -0.11 1.31 -0.33 0.00 -0.92 0.00 0.00 57.85 57.80 2dhx n ARG 55 Cb 0.46 -2.27 -0.15 0.00 0.45 0.00 0.00 32.46 30.95 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 -5.57 3.27 0.16 -0.14 2.02 -1.26 -4.78 118.70 112.40 2dhx s GLU 56 Ca -0.10 -0.72 -0.01 0.00 0.02 0.00 0.00 54.97 54.16 2dhx s GLU 56 Cb 0.30 -2.55 -0.00 0.00 0.10 0.00 0.00 34.13 31.98 2dhx s GLU 56 CO 0.72 0.23 1.38 -1.00 0.02 0.00 0.00 175.26 176.62 2dhx h PRO 57 N 6.62 0.34 -0.72 0.39 0.13 -1.94 -1.81 132.00 135.01 2dhx h PRO 57 Ca -0.25 -0.33 -0.01 0.00 -0.87 0.00 0.00 66.00 64.54 2dhx h PRO 57 Cb 1.21 0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 2dhx h PRO 57 CO 0.54 1.00 0.42 0.00 -0.23 0.00 0.00 178.00 179.72 2dhx h ALA 58 N 0.90 0.92 -0.10 -0.56 0.00 -1.94 0.30 119.26 118.78 2dhx h ALA 58 Ca -0.05 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 2dhx h ALA 58 Cb 1.44 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2dhx h ALA 58 CO 0.14 0.42 -0.63 -0.44 0.00 0.00 0.00 179.25 178.73 2dhx h ASP 59 N 0.99 0.44 -0.49 0.00 3.32 -1.90 -3.03 116.42 115.76 2dhx h ASP 59 Ca 0.26 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 2dhx h ASP 59 Cb 0.00 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2dhx h ASP 59 CO -0.04 0.96 0.13 0.00 -1.72 0.00 0.00 179.24 178.57 2dhx h ALA 60 N 1.04 0.64 -0.20 3.45 0.00 -0.54 -2.89 119.26 120.76 2dhx h ALA 60 Ca -0.01 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.76 2dhx h ALA 60 Cb 1.17 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 2dhx h ALA 60 CO 0.11 0.31 -0.21 0.93 0.00 0.00 0.00 179.25 180.39 2dhx h GLU 61 N 0.66 -0.22 -0.35 0.00 4.39 -0.32 0.40 114.58 119.12 2dhx h GLU 61 Ca 0.15 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.97 2dhx h GLU 61 Cb 0.30 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2dhx h GLU 61 CO -0.00 -0.15 0.39 0.00 -1.16 0.00 0.00 179.01 178.09 2dhx h ARG 62 N -0.23 0.00 0.22 2.33 2.47 -1.41 1.32 114.38 119.08 2dhx h ARG 62 Ca 0.12 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.50 2dhx h ARG 62 Cb 0.42 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.76 2dhx h ARG 62 CO -0.34 0.00 -1.62 0.28 0.56 0.00 0.00 179.97 178.85 2dhx h VAL 63 N 0.00 1.11 -0.29 2.04 2.07 -0.22 -3.33 116.25 117.62 2dhx h VAL 63 Ca 0.17 -2.61 -0.16 0.00 0.82 0.00 0.00 66.70 64.91 2dhx h VAL 63 Cb 0.95 2.90 -0.00 0.00 -1.52 0.00 0.00 31.29 33.62 2dhx h VAL 63 CO -0.00 0.84 -0.46 -0.07 0.02 0.00 0.00 177.57 177.90 2dhx h LEU 64 N 0.13 0.91 -1.59 2.57 3.38 0.31 -2.95 115.31 118.08 2dhx h LEU 64 Ca -0.30 -0.51 0.50 0.00 0.09 0.00 0.00 57.88 57.65 2dhx h LEU 64 Cb 2.14 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 42.53 2dhx h LEU 64 CO 0.23 1.25 1.09 0.00 0.09 0.00 0.00 178.44 181.10 2dhx n ALA 65 N -2.55 1.54 -2.50 1.53 0.00 0.42 -3.47 120.51 115.49 2dhx n ALA 65 Ca -0.04 0.72 -0.42 0.00 0.00 0.00 0.00 53.44 53.70 2dhx n ALA 65 Cb 0.58 -1.04 -0.09 0.00 0.00 0.00 0.00 19.45 18.89 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 -4.94 3.22 0.00 0.00 0.74 -1.11 -4.90 119.66 112.66 2dhx s GLN 66 Ca -0.06 -0.74 0.26 0.00 0.05 0.00 0.00 55.36 54.88 2dhx s GLN 66 Cb 0.27 -3.91 1.56 0.00 1.10 0.00 0.00 33.01 32.02 2dhx s GLN 66 CO 0.81 -0.70 1.92 0.00 -0.55 0.00 0.00 175.29 176.77 2dhx n ALA 67 N 5.37 2.50 -2.36 1.58 0.00 -1.23 -4.65 120.51 121.72 2dhx n ALA 67 Ca -0.09 -0.16 -0.29 0.00 0.00 0.00 0.00 53.44 52.89 2dhx n ALA 67 Cb 0.48 -1.42 -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 -1.97 2.90 -0.25 0.00 -1.08 -1.26 -4.45 116.67 110.55 2dhx s ASP 68 Ca 0.39 -0.49 -0.14 0.00 -0.52 0.00 0.00 52.55 51.79 2dhx s ASP 68 Cb 0.18 -0.29 0.08 0.00 -1.46 0.00 0.00 42.92 41.42 2dhx s ASP 68 CO 0.30 0.27 0.62 -1.00 0.52 0.00 0.00 175.17 175.88 2dhx s HIS 69 N -0.67 -0.96 -0.09 -5.34 3.76 -0.95 -4.94 115.29 106.10 2dhx s HIS 69 Ca 0.10 1.93 0.03 0.00 -0.15 0.00 0.00 55.06 56.97 2dhx s HIS 69 Cb -0.09 0.55 -0.01 0.00 1.11 0.00 0.00 32.58 34.14 2dhx s HIS 69 CO 0.00 -0.49 -0.21 -2.00 -0.85 0.00 0.00 174.74 171.20 2dhx s GLU 70 N 1.62 2.95 -0.27 1.40 2.12 -1.26 0.10 118.70 125.37 2dhx s GLU 70 Ca -0.10 -0.82 -0.01 0.00 0.36 0.00 0.00 54.97 54.40 2dhx s GLU 70 Cb -0.06 -2.36 0.13 0.00 0.26 0.00 0.00 34.13 32.11 2dhx s GLU 70 CO -0.18 0.28 0.32 -1.17 -0.54 0.00 0.00 175.26 173.97 2dhx s LEU 71 N 0.11 -0.39 -0.67 2.70 2.96 -1.17 -4.96 118.68 117.26 2dhx s LEU 71 Ca -0.10 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.39 2dhx s LEU 71 Cb -0.16 0.71 0.00 0.00 0.50 0.00 0.00 46.19 47.25 2dhx s LEU 71 CO 0.06 -0.35 0.66 1.41 -1.32 0.00 0.00 176.35 176.81 2dhx n HIS 72 N 5.33 -2.94 -3.15 5.38 8.25 -1.26 -4.18 115.22 122.66 2dhx n HIS 72 Ca -0.03 1.13 -0.15 0.00 -0.26 0.00 0.00 57.72 58.41 2dhx n HIS 72 Cb 0.48 -4.02 0.02 0.00 1.12 0.00 0.00 29.99 27.59 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 -1.56 0.08 0.00 -1.41 0.00 -1.26 -4.95 105.19 96.08 2dhx n GLY 73 Ca 0.01 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 0.66 0.00 -3.33 4.61 0.00 -1.26 -5.04 120.51 116.16 2dhx n ALA 74 Ca -0.03 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.95 2dhx n ALA 74 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.64 3.08 -0.18 0.00 -0.21 -1.26 -3.04 119.66 116.42 2dhx s GLN 75 Ca 0.00 -1.87 -0.21 0.00 0.02 0.00 0.00 55.36 53.30 2dhx s GLN 75 Cb 0.00 -4.30 -0.03 0.00 1.00 0.00 0.00 33.01 29.68 2dhx s GLN 75 CO 0.00 -1.31 0.63 -0.51 -2.12 0.00 0.00 175.29 171.98 2dhx s LEU 76 N 1.29 4.18 -0.45 2.90 2.01 0.28 -4.75 118.68 124.14 2dhx s LEU 76 Ca 0.06 0.88 -0.15 0.00 0.01 0.00 0.00 54.13 54.93 2dhx s LEU 76 Cb -0.26 -2.91 0.05 0.00 0.01 0.00 0.00 46.19 43.09 2dhx s LEU 76 CO 0.00 -0.24 0.37 -0.44 1.01 0.00 0.00 176.35 177.05 2dhx s SER 77 N 1.10 6.14 -0.02 2.29 0.01 -0.86 -2.24 113.70 120.12 2dhx s SER 77 Ca 0.30 -1.15 -0.23 0.00 1.31 0.00 0.00 55.95 56.18 2dhx s SER 77 Cb -0.16 -2.18 -0.05 0.00 0.21 0.00 0.00 66.02 63.85 2dhx s SER 77 CO 0.11 -0.58 0.70 -0.76 0.41 0.00 0.00 173.24 173.12 2dhx s LEU 78 N 1.69 4.38 0.09 2.44 2.01 -1.26 -1.78 118.68 126.25 2dhx s LEU 78 Ca 0.05 1.26 -0.10 0.00 0.01 0.00 0.00 54.13 55.35 2dhx s LEU 78 Cb -0.22 -3.09 0.00 0.00 0.01 0.00 0.00 46.19 42.89 2dhx s LEU 78 CO 0.08 -0.03 0.22 -0.13 1.01 0.00 0.00 176.35 177.50 2dhx s ARG 79 N 0.33 0.86 -0.29 1.70 1.81 -0.56 -4.79 118.95 118.00 2dhx s ARG 79 Ca 0.36 -0.90 -0.29 0.00 -1.72 0.00 0.00 55.73 53.19 2dhx s ARG 79 Cb -0.19 0.35 -0.00 0.00 -0.45 0.00 0.00 34.95 34.66 2dhx s ARG 79 CO 0.19 -0.28 1.35 -1.25 -0.68 0.00 0.00 175.30 174.63 2dhx s PRO 80 N -3.73 3.89 1.04 3.54 0.04 -1.26 0.18 135.00 138.71 2dhx s PRO 80 Ca 0.04 1.29 -0.12 0.00 0.04 0.00 0.00 61.00 62.25 2dhx s PRO 80 Cb 0.04 -3.90 0.21 0.00 0.04 0.00 0.00 34.50 30.89 2dhx s PRO 80 CO -0.10 -1.15 1.07 0.00 0.04 0.00 0.00 177.00 176.86 2dhx s ALA 81 N 4.51 0.57 0.49 8.56 0.00 -1.25 -4.64 121.76 130.01 2dhx s ALA 81 Ca 0.58 -0.25 -0.20 0.00 0.00 0.00 0.00 51.96 52.09 2dhx s ALA 81 Cb -0.18 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 2dhx s ALA 81 CO 0.24 -3.11 1.04 -1.25 0.00 0.00 0.00 175.76 172.68 2dhx s PRO 82 N -4.81 3.77 0.85 0.00 0.04 -1.26 -4.87 135.00 128.72 2dhx s PRO 82 Ca 0.66 1.34 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 2dhx s PRO 82 Cb -0.20 -2.09 0.10 0.00 0.04 0.00 0.00 34.50 32.34 2dhx s PRO 82 CO 0.60 -0.45 1.11 -1.25 0.04 0.00 0.00 177.00 177.05 2dhx s PRO 83 N -3.31 1.66 -0.08 0.56 0.04 -1.26 -4.61 135.00 128.00 2dhx s PRO 83 Ca 0.67 0.48 -0.02 0.00 0.04 0.00 0.00 61.00 62.17 2dhx s PRO 83 Cb -0.16 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.50 2dhx s PRO 83 CO 0.21 -1.88 0.04 0.54 0.04 0.00 0.00 177.00 175.95 2dhx n ARG 84 N -3.58 -1.83 -1.31 4.56 3.00 -1.26 -4.79 116.66 111.45 2dhx n ARG 84 Ca 0.07 1.68 -0.38 0.00 -0.01 0.00 0.00 57.85 59.21 2dhx n ARG 84 Cb 0.58 -2.24 0.03 0.00 0.00 0.00 0.00 32.46 30.82 2dhx n ARG 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dhx n ALA 85 N 1.73 -2.40 -1.70 7.54 0.00 -1.26 -4.90 120.51 119.51 2dhx n ALA 85 Ca -0.07 -0.09 -0.33 0.00 0.00 0.00 0.00 53.44 52.95 2dhx n ALA 85 Cb 0.27 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 -1.60 3.44 -0.37 0.00 0.04 -1.26 -5.01 135.00 130.23 2dhx s PRO 86 Ca 0.61 1.19 0.12 0.00 0.04 0.00 0.00 61.00 62.95 2dhx s PRO 86 Cb -0.45 -2.05 0.35 0.00 0.04 0.00 0.00 34.50 32.39 2dhx s PRO 86 CO 0.62 -0.71 0.75 0.00 0.04 0.00 0.00 177.00 177.70 2dhx n ALA 87 N -1.87 1.87 -2.58 8.56 0.00 -1.26 -5.08 120.51 120.15 2dhx n ALA 87 Ca 0.09 -3.31 -0.43 0.00 0.00 0.00 0.00 53.44 49.78 2dhx n ALA 87 Cb 0.53 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 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 -2.30 3.70 -0.46 0.00 3.52 -1.26 -4.85 118.95 117.30 2dhx s ARG 88 Ca 0.39 0.58 0.04 0.00 -0.13 0.00 0.00 55.73 56.61 2dhx s ARG 88 Cb 0.35 -3.92 0.24 0.00 -1.56 0.00 0.00 34.95 30.05 2dhx s ARG 88 CO -0.08 -1.41 0.95 1.28 -0.81 0.00 0.00 175.30 175.22 2dhx n LEU 89 N 7.96 -2.62 -3.22 -0.88 4.77 -1.26 -5.11 117.00 116.64 2dhx n LEU 89 Ca 0.12 -2.90 0.04 0.00 -0.03 0.00 0.00 56.01 53.24 2dhx n LEU 89 Cb 0.49 0.77 -0.02 0.00 -2.33 0.00 0.00 43.42 42.32 2dhx n LEU 89 CO 0.72 1.89 0.59 -0.22 -1.33 0.00 0.00 177.39 179.03 2dhx s LEU 90 N -0.36 -0.53 1.00 2.23 0.20 -1.26 -5.16 118.68 114.79 2dhx s LEU 90 Ca 0.30 0.46 -0.14 0.00 0.69 0.00 0.00 54.13 55.45 2dhx s LEU 90 Cb 0.20 1.50 0.06 0.00 -0.43 0.00 0.00 46.19 47.52 2dhx s LEU 90 CO -0.19 -0.10 0.36 0.18 -0.29 0.00 0.00 176.35 176.31 2dhx n LEU 91 N 5.26 -0.60 -3.60 -0.68 7.99 -1.26 -5.02 117.00 119.09 2dhx n LEU 91 Ca -0.07 0.21 0.01 0.00 -0.01 0.00 0.00 56.01 56.15 2dhx n LEU 91 Cb 0.53 -1.16 -0.01 0.00 -0.11 0.00 0.00 43.42 42.67 2dhx n LEU 91 CO -0.07 -3.44 1.21 -1.58 -1.51 0.00 0.00 177.39 172.00 2dhx s GLN 92 N -3.66 0.00 0.00 3.23 0.74 -1.26 -5.16 119.66 113.56 2dhx s GLN 92 Ca 0.57 -0.00 0.00 0.00 0.05 0.00 0.00 55.36 55.98 2dhx s GLN 92 Cb -0.19 0.00 0.00 0.00 1.10 0.00 0.00 33.01 33.92 2dhx s GLN 92 CO 0.67 -0.00 0.00 0.41 -0.55 0.00 0.00 175.29 175.81 2dhx n GLY 93 N -0.23 1.55 3.86 2.59 0.00 -1.26 -5.16 105.19 106.54 2dhx n GLY 93 Ca -0.02 0.40 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 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 3.97 0.95 0.99 2.01 -1.26 -5.08 118.68 120.27 2dhx s LEU 94 Ca 0.00 1.20 -0.14 0.00 0.01 0.00 0.00 54.13 55.21 2dhx s LEU 94 Cb 0.00 -4.04 0.16 0.00 0.01 0.00 0.00 46.19 42.33 2dhx s LEU 94 CO 0.00 -0.28 1.16 -2.16 1.01 0.00 0.00 176.35 176.08 2dhx s PRO 95 N -3.33 0.79 1.11 1.29 0.04 -1.26 -5.06 135.00 128.57 2dhx s PRO 95 Ca 0.53 0.15 -0.18 0.00 0.04 0.00 0.00 61.00 61.53 2dhx s PRO 95 Cb -0.10 -1.81 0.26 0.00 0.04 0.00 0.00 34.50 32.88 2dhx s PRO 95 CO 0.23 -2.41 1.23 -1.25 0.04 0.00 0.00 177.00 174.84 2dhx s PRO 96 N -5.38 -0.49 0.06 0.56 0.04 -1.26 -5.10 135.00 123.42 2dhx s PRO 96 Ca 0.66 -0.32 -0.26 0.00 0.04 0.00 0.00 61.00 61.11 2dhx s PRO 96 Cb -0.13 -1.71 0.08 0.00 0.04 0.00 0.00 34.50 32.79 2dhx s PRO 96 CO 0.54 -3.18 0.73 0.20 0.04 0.00 0.00 177.00 175.32 2dhx s GLY 97 N -4.46 -0.54 -0.07 0.56 0.00 -1.26 -5.18 107.32 96.36 2dhx s GLY 97 Ca 0.74 0.88 -0.29 0.00 0.00 0.00 0.00 44.72 46.04 2dhx s GLY 97 CO 0.55 0.39 0.87 -1.08 0.00 0.00 0.00 173.10 173.83 2dhx s THR 98 N -3.00 0.00 -0.07 0.90 -1.32 -1.26 -5.18 115.64 105.70 2dhx s THR 98 Ca 0.00 0.00 -0.32 0.00 -1.21 0.00 0.00 61.69 60.16 2dhx s THR 98 Cb -0.01 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.11 2dhx s THR 98 CO -0.07 0.00 1.31 -0.94 -2.21 0.00 0.00 174.62 172.71 2dhx s SER 99 N -1.61 -0.06 -0.40 8.08 1.04 -1.26 -5.12 113.70 114.37 2dhx s SER 99 Ca -0.02 -0.08 -0.01 0.00 0.48 0.00 0.00 55.95 56.31 2dhx s SER 99 Cb -0.01 0.12 0.22 0.00 0.10 0.00 0.00 66.02 66.46 2dhx s SER 99 CO -0.00 -0.22 1.01 0.61 0.98 0.00 0.00 173.24 175.61 2dhx n GLY 100 N -0.41 -1.26 3.74 7.32 0.00 -1.26 -5.17 105.19 108.16 2dhx n GLY 100 Ca -0.07 0.93 -0.30 0.00 0.00 0.00 0.00 46.02 46.58 2dhx n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dhx n PRO 101 N 2.43 -2.22 -4.28 1.61 -0.04 -1.26 -5.09 135.00 126.15 2dhx n PRO 101 Ca 0.11 -1.94 -0.23 0.00 -0.04 0.00 0.00 63.50 61.41 2dhx n PRO 101 Cb 0.63 -1.52 -0.12 0.00 -0.04 0.00 0.00 33.50 32.45 2dhx n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dhx s SER 102 N -5.24 2.46 0.04 3.54 0.15 -1.26 -5.15 113.70 108.24 2dhx s SER 102 Ca 0.74 -0.72 0.01 0.00 0.70 0.00 0.00 55.95 56.68 2dhx s SER 102 Cb -0.04 -0.13 -0.03 0.00 -1.71 0.00 0.00 66.02 64.11 2dhx s SER 102 CO 0.54 0.02 -0.05 -0.55 1.20 0.00 0.00 173.24 174.40 2dhx s SER 103 N -2.08 0.61 0.00 5.45 0.15 -1.26 -5.37 113.70 111.19 2dhx s SER 103 Ca 0.08 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.10 2dhx s SER 103 Cb -0.09 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2dhx s SER 103 CO 0.04 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.79