#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 5.86 0.08 1.61 0.15 -1.26 -4.72 113.70 115.43 2dhx s SER 2 Ca 0.00 1.68 0.00 0.00 0.70 0.00 0.00 55.95 58.33 2dhx s SER 2 Cb 0.00 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2dhx s SER 2 CO 0.00 -1.11 0.00 -1.20 1.20 0.00 0.00 173.24 172.13 2dhx n SER 3 N -2.32 -9.36 0.00 5.45 7.64 -1.26 -4.97 113.62 108.80 2dhx n SER 3 Ca 0.08 1.73 0.00 0.00 1.01 0.00 0.00 58.87 61.69 2dhx n SER 3 Cb 0.53 -5.19 0.00 0.00 -1.01 0.00 0.00 64.21 58.54 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 1.90 -0.38 3.82 0.23 0.00 -1.26 -5.12 105.19 104.38 2dhx n GLY 4 Ca 0.00 0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.00 5.30 0.30 1.61 1.04 -1.26 -4.99 113.70 111.71 2dhx s SER 5 Ca 0.00 1.52 0.00 0.00 0.48 0.00 0.00 55.95 57.95 2dhx s SER 5 Cb 0.00 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2dhx s SER 5 CO 0.00 -1.48 0.00 -1.20 0.98 0.00 0.00 173.24 171.54 2dhx n SER 6 N -3.14 -0.65 0.00 7.02 7.64 -1.26 -5.11 113.62 118.12 2dhx n SER 6 Ca 0.07 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.48 2dhx n SER 6 Cb 0.54 0.82 0.00 0.00 -1.01 0.00 0.00 64.21 64.56 2dhx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dhx n GLY 7 N 1.15 0.79 4.01 0.23 0.00 -1.26 -4.82 105.19 105.29 2dhx n GLY 7 Ca 0.00 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 2dhx n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dhx s GLY 8 N -1.68 1.77 -0.11 -0.02 0.00 -1.26 -5.07 107.32 100.95 2dhx s GLY 8 Ca 0.00 -1.89 0.04 0.00 0.00 0.00 0.00 44.72 42.87 2dhx s GLY 8 CO 0.00 -1.44 -0.23 0.14 0.00 0.00 0.00 173.10 171.57 2dhx s VAL 9 N -2.80 2.03 0.01 1.40 1.01 -1.26 -5.06 120.40 115.72 2dhx s VAL 9 Ca 0.62 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2dhx s VAL 9 Cb -0.06 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 2dhx s VAL 9 CO 0.40 0.55 -0.05 0.00 0.00 0.00 0.00 175.10 176.00 2dhx s ALA 10 N 0.49 0.39 -0.13 5.51 0.00 -1.26 -1.89 121.76 124.87 2dhx s ALA 10 Ca -0.15 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2dhx s ALA 10 Cb -0.17 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 22.92 2dhx s ALA 10 CO 0.06 0.05 -0.12 0.08 0.00 0.00 0.00 175.76 175.83 2dhx s VAL 11 N -0.43 1.32 -0.40 0.00 1.01 0.49 -3.82 120.40 118.57 2dhx s VAL 11 Ca -0.02 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.19 2dhx s VAL 11 Cb -0.04 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.08 2dhx s VAL 11 CO -0.00 0.42 1.48 -0.70 0.00 0.00 0.00 175.10 176.29 2dhx s GLU 12 N 1.47 3.52 -0.10 2.72 2.12 0.12 -0.26 118.70 128.29 2dhx s GLU 12 Ca 0.03 1.00 -0.19 0.00 0.36 0.00 0.00 54.97 56.16 2dhx s GLU 12 Cb -0.13 -4.06 -0.04 0.00 0.26 0.00 0.00 34.13 30.16 2dhx s GLU 12 CO -0.08 -1.63 0.53 0.08 -0.54 0.00 0.00 175.26 173.62 2dhx s VAL 13 N 5.70 5.14 0.04 3.70 1.01 0.44 -1.59 120.40 134.85 2dhx s VAL 13 Ca 0.64 1.07 0.04 0.00 0.00 0.00 0.00 61.98 63.73 2dhx s VAL 13 Cb -0.15 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2dhx s VAL 13 CO 0.33 0.32 -0.13 -0.60 0.00 0.00 0.00 175.10 175.02 2dhx s ARG 14 N 0.60 0.86 -0.23 2.72 3.52 0.11 0.20 118.95 126.72 2dhx s ARG 14 Ca 0.29 -0.74 -0.01 0.00 -0.13 0.00 0.00 55.73 55.14 2dhx s ARG 14 Cb -0.16 -0.84 -0.01 0.00 -1.56 0.00 0.00 34.95 32.38 2dhx s ARG 14 CO 0.12 0.20 0.21 0.41 -0.81 0.00 0.00 175.30 175.44 2dhx n GLY 15 N 1.87 -0.09 2.86 8.12 0.00 -1.22 0.19 105.19 116.92 2dhx n GLY 15 Ca -0.18 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.07 1.06 0.48 0.99 2.96 -1.26 -3.95 118.68 115.88 2dhx s LEU 16 Ca 0.06 -0.15 -0.21 0.00 -0.22 0.00 0.00 54.13 53.61 2dhx s LEU 16 Cb -0.01 -0.54 -0.09 0.00 0.50 0.00 0.00 46.19 46.06 2dhx s LEU 16 CO 0.20 -0.11 1.04 -2.16 -1.32 0.00 0.00 176.35 174.00 2dhx s PRO 17 N 1.41 3.84 0.12 0.98 0.04 -1.26 -3.50 135.00 136.63 2dhx s PRO 17 Ca -0.03 1.37 -0.07 0.00 0.04 0.00 0.00 61.00 62.31 2dhx s PRO 17 Cb -0.13 -2.14 -0.10 0.00 0.04 0.00 0.00 34.50 32.17 2dhx s PRO 17 CO -0.03 -0.40 1.31 -1.00 0.04 0.00 0.00 177.00 176.92 2dhx h PRO 18 N 1.65 0.53 -1.57 0.56 0.13 -2.01 -3.12 132.00 128.17 2dhx h PRO 18 Ca -0.49 -0.52 0.46 0.00 -0.87 0.00 0.00 66.00 64.57 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 0.59 1.15 1.13 0.00 -0.23 0.00 0.00 178.00 180.64 2dhx h ALA 19 N 0.68 3.48 -2.48 -0.56 0.00 -2.03 -3.34 119.26 115.01 2dhx h ALA 19 Ca -0.08 -0.05 -0.59 0.00 0.00 0.00 0.00 54.91 54.19 2dhx h ALA 19 Cb 1.52 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.34 2dhx h ALA 19 CO 0.16 -1.93 0.24 0.08 0.00 0.00 0.00 179.25 177.80 2dhx s VAL 20 N -4.92 4.96 0.69 0.00 1.01 -1.18 -5.05 120.40 115.91 2dhx s VAL 20 Ca -0.05 1.33 -0.11 0.00 0.00 0.00 0.00 61.98 63.15 2dhx s VAL 20 Cb 0.25 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2dhx s VAL 20 CO 0.85 0.05 1.06 -2.16 0.00 0.00 0.00 175.10 174.90 2dhx s PRO 21 N 2.20 2.97 0.36 2.72 0.04 -1.26 -4.92 135.00 137.11 2dhx s PRO 21 Ca 0.31 0.97 0.04 0.00 0.04 0.00 0.00 61.00 62.36 2dhx s PRO 21 Cb -0.16 -1.99 0.67 0.00 0.04 0.00 0.00 34.50 33.06 2dhx s PRO 21 CO 0.10 -1.07 1.95 -0.44 0.04 0.00 0.00 177.00 177.58 2dhx h ASP 22 N -0.64 0.54 -0.73 6.66 3.32 -1.96 -2.58 116.42 121.03 2dhx h ASP 22 Ca -0.44 -0.06 0.14 0.00 0.02 0.00 0.00 57.03 56.69 2dhx h ASP 22 Cb 1.21 -0.14 -0.14 0.00 0.22 0.00 0.00 39.33 40.49 2dhx h ASP 22 CO 0.57 0.50 -0.26 -0.08 -1.72 0.00 0.00 179.24 178.25 2dhx h GLU 23 N 0.60 -0.06 -0.09 3.56 4.81 -2.00 0.92 114.58 122.31 2dhx h GLU 23 Ca 0.15 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2dhx h GLU 23 Cb 0.14 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2dhx h GLU 23 CO -0.01 -0.04 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.13 2dhx h LEU 24 N -0.06 0.19 -0.97 1.64 3.38 -1.86 0.13 115.31 117.76 2dhx h LEU 24 Ca 0.32 -0.39 0.31 0.00 0.09 0.00 0.00 57.88 58.21 2dhx h LEU 24 Cb 0.56 -0.05 -0.18 0.00 0.09 0.00 0.00 40.66 41.08 2dhx h LEU 24 CO -0.77 0.53 0.18 -0.11 0.09 0.00 0.00 178.44 178.36 2dhx n LEU 25 N -4.76 0.03 -0.07 1.67 7.94 0.13 0.11 117.00 122.05 2dhx n LEU 25 Ca -0.07 1.64 -0.10 0.00 -1.11 0.00 0.00 56.01 56.38 2dhx n LEU 25 Cb 0.25 -0.66 -0.08 0.00 0.53 0.00 0.00 43.42 43.45 2dhx n LEU 25 CO 0.36 -1.72 0.19 0.71 -1.11 0.00 0.00 177.39 175.82 2dhx h THR 26 N 0.00 1.10 -1.88 1.96 1.35 -0.86 -2.73 112.91 111.84 2dhx h THR 26 Ca 0.66 -1.85 0.56 0.00 -0.55 0.00 0.00 66.41 65.23 2dhx h THR 26 Cb 1.52 2.10 -0.09 0.00 -1.73 0.00 0.00 68.15 69.95 2dhx h THR 26 CO -0.86 0.37 1.33 0.00 -0.25 0.00 0.00 175.52 176.11 2dhx n LEU 27 N -4.66 0.04 -0.05 3.87 -0.00 0.45 0.19 117.00 116.84 2dhx n LEU 27 Ca -0.08 1.07 -0.01 0.00 -0.00 0.00 0.00 56.01 56.99 2dhx n LEU 27 Cb 0.33 -0.53 -0.00 0.00 -0.00 0.00 0.00 43.42 43.21 2dhx n LEU 27 CO 0.21 -1.09 -0.07 0.22 -0.00 0.00 0.00 177.39 176.66 2dhx h TYR 28 N 0.00 0.00 0.20 1.47 3.20 -0.39 -3.19 116.97 118.25 2dhx h TYR 28 Ca 0.93 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.80 2dhx h TYR 28 Cb 3.62 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 41.88 2dhx h TYR 28 CO -0.00 0.00 -0.14 0.74 -1.64 0.00 0.00 178.16 177.12 2dhx h PHE 29 N -0.98 -0.37 -0.61 -3.82 0.04 -0.24 -2.86 116.94 108.10 2dhx h PHE 29 Ca 0.00 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.88 2dhx h PHE 29 Cb 0.10 0.14 -0.12 0.00 2.20 0.00 0.00 35.95 38.27 2dhx h PHE 29 CO -0.04 -0.22 -0.29 0.93 -0.60 0.00 0.00 178.31 178.08 2dhx h GLU 30 N -0.35 -0.12 -7.05 1.51 5.08 0.21 -3.38 114.58 110.48 2dhx h GLU 30 Ca -0.01 0.01 -0.54 0.00 -1.00 0.00 0.00 59.36 57.81 2dhx h GLU 30 Cb 0.30 0.03 0.13 0.00 0.50 0.00 0.00 28.75 29.71 2dhx h GLU 30 CO -0.00 -0.08 0.58 1.21 -1.00 0.00 0.00 179.01 179.72 2dhx s ASN 31 N -5.18 5.33 -0.19 1.42 3.84 -1.08 -4.07 114.94 115.01 2dhx s ASN 31 Ca -0.14 2.68 -0.22 0.00 0.21 0.00 0.00 52.86 55.38 2dhx s ASN 31 Cb 0.17 -2.63 -0.21 0.00 -0.55 0.00 0.00 41.25 38.03 2dhx s ASN 31 CO 0.70 -1.52 0.32 0.03 -2.79 0.00 0.00 177.10 173.85 2dhx h ARG 32 N 1.44 0.02 -0.42 0.43 3.08 -1.81 -3.22 114.38 113.90 2dhx h ARG 32 Ca -0.51 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 59.59 2dhx h ARG 32 Cb 1.30 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 31.28 2dhx h ARG 32 CO 0.57 1.02 -0.12 0.00 -1.07 0.00 0.00 179.97 180.37 2dhx h ARG 33 N -0.93 -0.02 0.31 0.04 2.47 -1.92 1.10 114.38 115.43 2dhx h ARG 33 Ca -0.30 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.42 2dhx h ARG 33 Cb 1.31 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.62 2dhx h ARG 33 CO -0.16 -0.01 -0.33 0.00 0.56 0.00 0.00 179.97 180.03 2dhx h ARG 34 N -0.02 -0.63 0.00 0.04 2.47 -1.82 -3.41 114.38 111.01 2dhx h ARG 34 Ca 0.20 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 2dhx h ARG 34 Cb 0.33 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 2dhx h ARG 34 CO -0.44 -0.42 0.00 -1.13 0.56 0.00 0.00 179.97 178.54 2dhx n SER 35 N -4.41 0.00 0.00 7.04 3.41 -1.01 -4.98 113.62 113.68 2dhx n SER 35 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2dhx n SER 35 Cb 0.30 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.98 1.11 0.00 5.00 0.00 0.38 -4.95 105.19 108.70 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 -1.59 0.00 -0.02 0.00 -1.26 -3.09 105.19 99.23 2dhx n GLY 37 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.59 -0.58 3.82 -0.02 0.00 -1.25 -4.54 105.19 102.03 2dhx n GLY 38 Ca 0.00 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.81 2.86 -0.17 1.61 0.04 -1.26 -3.72 135.00 133.55 2dhx s PRO 39 Ca 0.00 0.93 -0.04 0.00 0.04 0.00 0.00 61.00 61.93 2dhx s PRO 39 Cb 0.00 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 2dhx s PRO 39 CO 0.00 -1.15 -0.03 0.08 0.04 0.00 0.00 177.00 175.94 2dhx s VAL 40 N -3.05 3.81 0.00 -0.36 1.01 -1.26 -2.39 120.40 118.16 2dhx s VAL 40 Ca 0.58 -0.38 -0.25 0.00 0.00 0.00 0.00 61.98 61.94 2dhx s VAL 40 Cb -0.14 -2.69 -0.18 0.00 0.00 0.00 0.00 36.38 33.37 2dhx s VAL 40 CO 0.55 0.47 1.29 0.25 0.00 0.00 0.00 175.10 177.66 2dhx h LEU 41 N 7.05 -0.17 -8.22 3.92 5.85 -1.29 -3.43 115.31 119.02 2dhx h LEU 41 Ca -0.33 -0.28 -0.11 0.00 0.84 0.00 0.00 57.88 57.99 2dhx h LEU 41 Cb 1.19 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 2dhx h LEU 41 CO 0.62 0.21 0.07 -0.55 -0.34 0.00 0.00 178.44 178.44 2dhx s SER 42 N -5.34 0.34 -0.15 1.25 0.15 -0.91 -4.98 113.70 104.04 2dhx s SER 42 Ca -0.15 -1.23 -0.12 0.00 0.70 0.00 0.00 55.95 55.15 2dhx s SER 42 Cb 0.02 0.76 0.05 0.00 -1.71 0.00 0.00 66.02 65.13 2dhx s SER 42 CO 0.60 -1.48 0.39 0.86 1.20 0.00 0.00 173.24 174.81 2dhx s TRP 43 N -2.80 -0.49 -0.18 3.44 -0.00 -1.26 -1.57 118.94 116.08 2dhx s TRP 43 Ca 0.21 1.13 -0.01 0.00 -0.00 0.00 0.00 56.10 57.43 2dhx s TRP 43 Cb -0.03 0.18 0.05 0.00 -0.00 0.00 0.00 33.47 33.67 2dhx s TRP 43 CO 0.14 -0.26 -0.02 -1.14 -0.00 0.00 0.00 176.95 175.68 2dhx s GLN 44 N 0.66 1.15 -0.38 5.86 0.74 -0.15 -5.00 119.66 122.54 2dhx s GLN 44 Ca -0.04 -0.52 -0.22 0.00 0.05 0.00 0.00 55.36 54.64 2dhx s GLN 44 Cb -0.05 -2.07 0.01 0.00 1.10 0.00 0.00 33.01 32.00 2dhx s GLN 44 CO -0.04 -0.52 0.70 0.50 -0.55 0.00 0.00 175.29 175.37 2dhx s ARG 45 N 1.69 3.61 -0.58 1.67 3.52 -1.26 -0.91 118.95 126.69 2dhx s ARG 45 Ca -0.01 0.05 0.02 0.00 -0.13 0.00 0.00 55.73 55.66 2dhx s ARG 45 Cb -0.16 -3.84 0.42 0.00 -1.56 0.00 0.00 34.95 29.80 2dhx s ARG 45 CO -0.07 -0.85 1.61 1.28 -0.81 0.00 0.00 175.30 176.46 2dhx n LEU 46 N 6.26 6.29 -1.68 -0.88 7.99 -0.34 -4.92 117.00 129.71 2dhx n LEU 46 Ca 0.00 -4.78 0.00 0.00 -0.01 0.00 0.00 56.01 51.23 2dhx n LEU 46 Cb 0.48 -0.73 0.00 0.00 -0.11 0.00 0.00 43.42 43.06 2dhx n LEU 46 CO 0.52 1.89 -0.45 0.61 -1.51 0.00 0.00 177.39 178.45 2dhx n GLY 47 N -0.66 -4.84 4.11 -0.72 0.00 -1.26 -4.63 105.19 97.19 2dhx n GLY 47 Ca 0.50 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.23 0.23 0.00 0.00 0.00 -1.23 -3.41 105.19 98.55 2dhx n GLY 49 Ca -0.25 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.78 2dhx n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dhx n GLY 50 N 0.00 1.52 3.67 -0.02 0.00 0.13 -1.20 105.19 109.29 2dhx n GLY 50 Ca 0.00 -1.70 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.56 5.25 0.08 1.61 1.01 -0.09 0.17 120.40 126.87 2dhx s VAL 51 Ca 0.00 0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.56 2dhx s VAL 51 Cb 0.00 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2dhx s VAL 51 CO 0.00 0.29 -0.02 -0.22 0.00 0.00 0.00 175.10 175.14 2dhx s LEU 52 N 1.20 3.38 -0.14 3.92 0.20 0.64 -0.98 118.68 126.90 2dhx s LEU 52 Ca 0.15 -0.20 0.02 0.00 0.69 0.00 0.00 54.13 54.79 2dhx s LEU 52 Cb -0.14 -2.10 0.01 0.00 -0.43 0.00 0.00 46.19 43.53 2dhx s LEU 52 CO 0.07 0.19 -0.20 -0.89 -0.29 0.00 0.00 176.35 175.22 2dhx s THR 53 N -1.26 2.21 -0.16 3.68 2.01 -0.61 0.19 115.64 121.71 2dhx s THR 53 Ca 0.24 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 61.23 2dhx s THR 53 Cb -0.12 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 2dhx s THR 53 CO 0.16 0.54 0.12 -0.36 -0.69 0.00 0.00 174.62 174.40 2dhx s PHE 54 N 0.77 3.46 0.10 4.92 0.40 -0.79 -0.94 117.98 125.90 2dhx s PHE 54 Ca -0.08 0.38 -0.22 0.00 -0.60 0.00 0.00 56.93 56.42 2dhx s PHE 54 Cb -0.16 -2.04 -0.06 0.00 0.51 0.00 0.00 43.02 41.27 2dhx s PHE 54 CO -0.00 0.47 1.37 -0.09 0.70 0.00 0.00 175.22 177.67 2dhx h ARG 55 N 5.90 -0.08 -6.20 0.44 2.43 -1.76 -3.39 114.38 111.72 2dhx h ARG 55 Ca -0.47 0.01 -0.49 0.00 -0.81 0.00 0.00 59.98 58.22 2dhx h ARG 55 Cb 1.19 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 2dhx h ARG 55 CO 0.67 -0.05 -0.48 -1.21 -1.51 0.00 0.00 179.97 177.38 2dhx s GLU 56 N -4.74 3.00 -0.03 0.20 0.41 -1.26 -4.81 118.70 111.47 2dhx s GLU 56 Ca -0.09 -1.04 -0.23 0.00 -0.41 0.00 0.00 54.97 53.20 2dhx s GLU 56 Cb 0.07 -2.62 -0.22 0.00 -1.78 0.00 0.00 34.13 29.57 2dhx s GLU 56 CO 0.42 0.33 1.08 -1.00 -0.49 0.00 0.00 175.26 175.61 2dhx h PRO 57 N 1.36 0.24 -0.39 0.39 0.13 -1.96 -2.54 132.00 129.22 2dhx h PRO 57 Ca -0.48 -0.23 -0.01 0.00 -0.87 0.00 0.00 66.00 64.41 2dhx h PRO 57 Cb 1.24 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 2dhx h PRO 57 CO 0.60 0.93 0.21 0.00 -0.23 0.00 0.00 178.00 179.51 2dhx h ALA 58 N 0.31 0.50 -0.53 -0.56 0.00 -1.97 0.63 119.26 117.64 2dhx h ALA 58 Ca -0.03 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.86 2dhx h ALA 58 Cb 1.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2dhx h ALA 58 CO 0.06 0.03 0.36 -0.44 0.00 0.00 0.00 179.25 179.25 2dhx h ASP 59 N 0.50 0.42 0.02 0.00 3.32 -1.80 1.31 116.42 120.19 2dhx h ASP 59 Ca 0.14 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.07 2dhx h ASP 59 Cb 0.06 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.53 2dhx h ASP 59 CO -0.02 0.27 -0.46 0.00 -1.72 0.00 0.00 179.24 177.31 2dhx h ALA 60 N 1.71 0.03 -0.58 3.45 0.00 -0.83 -3.23 119.26 119.82 2dhx h ALA 60 Ca 0.23 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2dhx h ALA 60 Cb 0.30 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2dhx h ALA 60 CO -0.06 0.23 0.14 0.93 0.00 0.00 0.00 179.25 180.50 2dhx h GLU 61 N -0.34 0.89 0.00 0.00 4.39 0.12 -0.91 114.58 118.73 2dhx h GLU 61 Ca -0.06 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.45 2dhx h GLU 61 Cb 1.23 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 2dhx h GLU 61 CO 0.09 0.79 0.04 -0.09 -1.16 0.00 0.00 179.01 178.69 2dhx h ARG 62 N 0.86 0.00 0.05 2.33 2.43 0.16 0.13 114.38 120.34 2dhx h ARG 62 Ca 0.19 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.99 2dhx h ARG 62 Cb 0.30 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 2dhx h ARG 62 CO -0.00 0.00 -2.08 0.28 -1.51 0.00 0.00 179.97 176.66 2dhx n VAL 63 N -2.91 1.61 -0.33 0.20 0.31 -0.47 -4.26 118.33 112.48 2dhx n VAL 63 Ca -0.03 -0.46 0.02 0.00 -0.01 0.00 0.00 64.34 63.85 2dhx n VAL 63 Cb 0.10 -1.73 0.15 0.00 -0.91 0.00 0.00 33.84 31.46 2dhx n VAL 63 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2dhx h LEU 64 N -0.34 0.91 -1.99 7.52 3.38 -0.17 -0.25 115.31 124.37 2dhx h LEU 64 Ca -0.50 0.01 0.58 0.00 0.09 0.00 0.00 57.88 58.06 2dhx h LEU 64 Cb 1.79 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 42.28 2dhx h LEU 64 CO -0.10 0.58 1.44 0.00 0.09 0.00 0.00 178.44 180.44 2dhx n ALA 65 N -2.36 1.91 -2.56 1.53 0.00 0.36 -3.71 120.51 115.69 2dhx n ALA 65 Ca 0.14 0.66 -0.42 0.00 0.00 0.00 0.00 53.44 53.81 2dhx n ALA 65 Cb 0.18 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.42 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 -4.86 3.63 0.00 0.00 0.74 -0.10 -4.89 119.66 114.18 2dhx s GLN 66 Ca -0.05 0.04 0.23 0.00 0.05 0.00 0.00 55.36 55.63 2dhx s GLN 66 Cb 0.27 -3.83 1.40 0.00 1.10 0.00 0.00 33.01 31.95 2dhx s GLN 66 CO 0.90 -0.81 1.85 0.00 -0.55 0.00 0.00 175.29 176.68 2dhx n ALA 67 N 6.17 2.55 -2.46 1.58 0.00 -1.24 -4.74 120.51 122.37 2dhx n ALA 67 Ca -0.00 -0.15 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 2dhx n ALA 67 Cb 0.48 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.82 2.86 -0.26 0.00 -1.08 -1.26 -4.77 116.67 110.33 2dhx s ASP 68 Ca 0.35 -0.83 -0.13 0.00 -0.52 0.00 0.00 52.55 51.42 2dhx s ASP 68 Cb 0.16 -0.18 0.09 0.00 -1.46 0.00 0.00 42.92 41.53 2dhx s ASP 68 CO 0.27 0.03 0.61 -1.00 0.52 0.00 0.00 175.17 175.60 2dhx s HIS 69 N -1.76 -1.02 -0.17 -5.34 3.76 -1.24 -4.97 115.29 104.56 2dhx s HIS 69 Ca 0.15 1.98 -0.01 0.00 -0.15 0.00 0.00 55.06 57.04 2dhx s HIS 69 Cb -0.07 0.58 -0.00 0.00 1.11 0.00 0.00 32.58 34.20 2dhx s HIS 69 CO 0.07 -0.52 -0.13 -2.00 -0.85 0.00 0.00 174.74 171.30 2dhx s GLU 70 N 1.90 3.23 -0.31 1.40 2.12 -1.26 -0.88 118.70 124.90 2dhx s GLU 70 Ca -0.09 -0.73 -0.01 0.00 0.36 0.00 0.00 54.97 54.51 2dhx s GLU 70 Cb -0.07 -2.70 0.13 0.00 0.26 0.00 0.00 34.13 31.75 2dhx s GLU 70 CO -0.18 -0.04 0.26 -1.17 -0.54 0.00 0.00 175.26 173.59 2dhx s LEU 71 N 0.98 0.11 -1.04 2.70 2.96 -1.05 -4.90 118.68 118.44 2dhx s LEU 71 Ca -0.02 -1.19 -0.02 0.00 -0.22 0.00 0.00 54.13 52.68 2dhx s LEU 71 Cb -0.15 0.22 -0.03 0.00 0.50 0.00 0.00 46.19 46.73 2dhx s LEU 71 CO -0.02 -0.37 0.89 1.41 -1.32 0.00 0.00 176.35 176.94 2dhx n HIS 72 N 4.97 -2.13 -3.16 5.38 8.25 -1.26 -3.85 115.22 123.41 2dhx n HIS 72 Ca 0.01 0.83 -0.12 0.00 -0.26 0.00 0.00 57.72 58.18 2dhx n HIS 72 Cb 0.44 -4.47 0.01 0.00 1.12 0.00 0.00 29.99 27.09 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 -1.18 -1.07 3.65 -1.41 0.00 -1.26 -5.03 105.19 98.88 2dhx n GLY 73 Ca -0.18 0.87 -0.01 0.00 0.00 0.00 0.00 46.02 46.70 2dhx n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dhx s ALA 74 N -2.64 -2.40 -0.77 4.61 0.00 -1.25 -5.10 121.76 114.22 2dhx s ALA 74 Ca 0.14 2.03 -0.20 0.00 0.00 0.00 0.00 51.96 53.93 2dhx s ALA 74 Cb -0.03 -1.80 0.10 0.00 0.00 0.00 0.00 23.12 21.39 2dhx s ALA 74 CO 0.80 -0.30 0.99 -0.65 0.00 0.00 0.00 175.76 176.60 2dhx s GLN 75 N 0.98 3.32 0.17 0.00 -0.21 -1.25 -2.52 119.66 120.14 2dhx s GLN 75 Ca -0.06 -1.33 -0.30 0.00 0.02 0.00 0.00 55.36 53.70 2dhx s GLN 75 Cb -0.03 -4.53 -0.07 0.00 1.00 0.00 0.00 33.01 29.37 2dhx s GLN 75 CO -0.12 -1.75 1.05 -0.51 -2.12 0.00 0.00 175.29 171.84 2dhx s LEU 76 N 3.22 4.51 -0.66 2.90 2.01 -0.06 -4.86 118.68 125.74 2dhx s LEU 76 Ca 0.25 2.01 -0.16 0.00 0.01 0.00 0.00 54.13 56.24 2dhx s LEU 76 Cb -0.13 -3.60 0.15 0.00 0.01 0.00 0.00 46.19 42.62 2dhx s LEU 76 CO 0.01 -0.14 0.65 -0.44 1.01 0.00 0.00 176.35 177.44 2dhx s SER 77 N -0.22 6.38 0.03 2.29 0.01 0.49 -3.61 113.70 119.08 2dhx s SER 77 Ca 0.48 -1.99 -0.23 0.00 1.31 0.00 0.00 55.95 55.52 2dhx s SER 77 Cb -0.28 -2.24 -0.06 0.00 0.21 0.00 0.00 66.02 63.66 2dhx s SER 77 CO 0.34 -0.84 0.68 -0.76 0.41 0.00 0.00 173.24 173.06 2dhx s LEU 78 N 1.47 4.45 0.16 2.44 2.01 -1.26 0.05 118.68 127.99 2dhx s LEU 78 Ca 0.11 1.32 -0.15 0.00 0.01 0.00 0.00 54.13 55.42 2dhx s LEU 78 Cb -0.22 -3.08 0.02 0.00 0.01 0.00 0.00 46.19 42.93 2dhx s LEU 78 CO -0.00 0.08 0.41 0.00 1.01 0.00 0.00 176.35 177.85 2dhx s ARG 79 N -0.25 1.18 -0.15 1.70 1.70 -0.62 -4.94 118.95 117.57 2dhx s ARG 79 Ca 0.34 -0.87 -0.29 0.00 -0.47 0.00 0.00 55.73 54.44 2dhx s ARG 79 Cb -0.20 0.46 -0.02 0.00 -0.57 0.00 0.00 34.95 34.63 2dhx s ARG 79 CO 0.20 -0.47 1.27 -1.25 -1.08 0.00 0.00 175.30 173.97 2dhx s PRO 80 N -3.86 4.24 1.09 3.89 0.04 -1.26 0.13 135.00 139.27 2dhx s PRO 80 Ca 0.08 1.68 -0.13 0.00 0.04 0.00 0.00 61.00 62.67 2dhx s PRO 80 Cb 0.01 -3.75 0.24 0.00 0.04 0.00 0.00 34.50 31.04 2dhx s PRO 80 CO -0.06 -0.69 1.07 0.00 0.04 0.00 0.00 177.00 177.36 2dhx s ALA 81 N 3.39 0.37 -0.03 8.56 0.00 -1.25 -4.65 121.76 128.15 2dhx s ALA 81 Ca 0.55 -0.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 2dhx s ALA 81 Cb -0.22 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2dhx s ALA 81 CO 0.16 -3.31 1.21 -1.25 0.00 0.00 0.00 175.76 172.57 2dhx s PRO 82 N -4.85 4.37 0.48 0.00 0.04 -1.26 -4.89 135.00 128.89 2dhx s PRO 82 Ca 0.67 1.71 -0.20 0.00 0.04 0.00 0.00 61.00 63.21 2dhx s PRO 82 Cb -0.20 -3.52 -0.09 0.00 0.04 0.00 0.00 34.50 30.74 2dhx s PRO 82 CO 0.60 -0.41 1.04 -1.25 0.04 0.00 0.00 177.00 177.01 2dhx s PRO 83 N 1.98 3.82 0.00 0.56 0.04 -1.26 -5.03 135.00 135.11 2dhx s PRO 83 Ca 0.57 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2dhx s PRO 83 Cb -0.26 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.17 2dhx s PRO 83 CO 0.24 -0.42 0.00 0.54 0.04 0.00 0.00 177.00 177.40 2dhx n ARG 84 N -0.93 0.00 -4.21 4.56 1.74 -1.26 -5.17 116.66 111.38 2dhx n ARG 84 Ca 0.09 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.89 2dhx n ARG 84 Cb 0.52 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.88 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 -1.23 3.08 -0.06 7.54 0.00 -1.26 -5.06 121.76 124.76 2dhx s ALA 85 Ca 0.00 -1.30 -0.12 0.00 0.00 0.00 0.00 51.96 50.53 2dhx s ALA 85 Cb 0.00 -0.94 -0.08 0.00 0.00 0.00 0.00 23.12 22.10 2dhx s ALA 85 CO 0.00 0.57 0.49 -1.00 0.00 0.00 0.00 175.76 175.82 2dhx h PRO 86 N 3.18 -0.28 0.00 0.00 0.13 -2.05 -3.50 132.00 129.48 2dhx h PRO 86 Ca -0.48 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2dhx h PRO 86 Cb 1.18 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2dhx h PRO 86 CO 0.55 -0.08 0.00 0.00 -0.23 0.00 0.00 178.00 178.25 2dhx n ALA 87 N -2.71 0.00 -2.87 -0.56 0.00 -1.26 -5.08 120.51 108.03 2dhx n ALA 87 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.95 2dhx n ALA 87 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.60 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 -2.00 3.78 -0.81 0.00 3.00 -1.26 -4.95 118.95 116.72 2dhx s ARG 88 Ca 0.00 -1.98 -0.19 0.00 -1.00 0.00 0.00 55.73 52.56 2dhx s ARG 88 Cb 0.00 -5.05 0.12 0.00 0.00 0.00 0.00 34.95 30.02 2dhx s ARG 88 CO 0.00 -1.85 0.99 -1.17 0.00 0.00 0.00 175.30 173.27 2dhx s LEU 89 N 2.68 5.12 -0.51 -0.88 1.98 -1.26 -4.99 118.68 120.82 2dhx s LEU 89 Ca 0.39 -1.78 -0.22 0.00 -2.89 0.00 0.00 54.13 49.62 2dhx s LEU 89 Cb -0.03 -2.37 0.04 0.00 0.66 0.00 0.00 46.19 44.49 2dhx s LEU 89 CO -0.05 -1.11 0.79 -0.22 -1.89 0.00 0.00 176.35 173.87 2dhx s LEU 90 N 2.75 4.46 -0.41 -0.68 2.96 -1.26 -4.97 118.68 121.53 2dhx s LEU 90 Ca 0.26 -0.52 -0.41 0.00 -0.22 0.00 0.00 54.13 53.24 2dhx s LEU 90 Cb -0.11 -2.70 -0.16 0.00 0.50 0.00 0.00 46.19 43.71 2dhx s LEU 90 CO -0.03 -1.03 1.97 0.18 -1.32 0.00 0.00 176.35 176.12 2dhx n LEU 91 N 6.81 1.59 -3.46 -0.68 7.99 -1.26 -4.87 117.00 123.11 2dhx n LEU 91 Ca -0.01 0.79 -0.13 0.00 -0.01 0.00 0.00 56.01 56.65 2dhx n LEU 91 Cb 0.47 -1.05 -0.03 0.00 -0.11 0.00 0.00 43.42 42.70 2dhx n LEU 91 CO 0.59 -0.69 0.46 0.00 -1.51 0.00 0.00 177.39 176.25 2dhx s GLN 92 N 4.97 1.14 0.00 3.23 -2.07 -1.26 -5.16 119.66 120.51 2dhx s GLN 92 Ca 1.10 -0.23 0.00 0.00 -1.82 0.00 0.00 55.36 54.41 2dhx s GLN 92 Cb -1.23 0.53 0.00 0.00 -1.09 0.00 0.00 33.01 31.22 2dhx s GLN 92 CO 0.64 -0.46 0.00 0.41 -1.32 0.00 0.00 175.29 174.56 2dhx n GLY 93 N 0.02 0.75 2.96 2.60 0.00 -1.26 -5.06 105.19 105.21 2dhx n GLY 93 Ca -0.16 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.98 2.07 0.85 0.99 2.96 -1.26 -5.16 118.68 118.15 2dhx s LEU 94 Ca 0.00 -0.19 -0.12 0.00 -0.22 0.00 0.00 54.13 53.60 2dhx s LEU 94 Cb 0.00 -0.15 0.10 0.00 0.50 0.00 0.00 46.19 46.64 2dhx s LEU 94 CO 0.00 -0.03 1.11 -2.16 -1.32 0.00 0.00 176.35 173.95 2dhx s PRO 95 N -0.48 1.67 -0.28 0.98 0.04 -1.26 -4.97 135.00 130.70 2dhx s PRO 95 Ca -0.02 0.49 -0.29 0.00 0.04 0.00 0.00 61.00 61.21 2dhx s PRO 95 Cb -0.04 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.62 2dhx s PRO 95 CO -0.00 -1.87 1.34 -1.25 0.04 0.00 0.00 177.00 175.26 2dhx s PRO 96 N -5.21 3.91 -0.52 0.56 0.04 -1.26 -4.94 135.00 127.57 2dhx s PRO 96 Ca 0.62 1.32 0.06 0.00 0.04 0.00 0.00 61.00 63.04 2dhx s PRO 96 Cb -0.15 -3.90 0.23 0.00 0.04 0.00 0.00 34.50 30.73 2dhx s PRO 96 CO 0.54 -1.13 0.58 0.41 0.04 0.00 0.00 177.00 177.44 2dhx n GLY 97 N 4.34 3.66 3.00 0.56 0.00 -1.26 -5.06 105.19 110.43 2dhx n GLY 97 Ca 0.15 -2.12 -0.26 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.57 1.20 -0.09 2.61 2.01 -1.26 -5.12 115.64 113.41 2dhx s THR 98 Ca 0.36 -0.47 -0.06 0.00 0.31 0.00 0.00 61.69 61.82 2dhx s THR 98 Cb 0.12 -1.12 0.04 0.00 0.01 0.00 0.00 72.50 71.55 2dhx s THR 98 CO -0.09 0.38 0.23 -0.44 -0.69 0.00 0.00 174.62 174.01 2dhx s SER 99 N 1.01 -0.24 -0.31 3.53 0.01 -1.26 -5.10 113.70 111.33 2dhx s SER 99 Ca -0.08 0.48 -0.11 0.00 1.31 0.00 0.00 55.95 57.55 2dhx s SER 99 Cb -0.15 0.41 0.19 0.00 0.21 0.00 0.00 66.02 66.68 2dhx s SER 99 CO -0.01 -0.13 1.09 -0.83 0.41 0.00 0.00 173.24 173.78 2dhx s GLY 100 N 0.79 -1.56 0.99 3.44 0.00 -1.26 -5.17 107.32 104.55 2dhx s GLY 100 Ca -0.06 1.42 -0.15 0.00 0.00 0.00 0.00 44.72 45.94 2dhx s GLY 100 CO -0.05 4.37 1.17 2.56 0.00 0.00 0.00 173.10 181.16 2dhx s PRO 101 N 2.00 0.51 0.18 2.90 0.04 -1.26 -5.10 135.00 134.28 2dhx s PRO 101 Ca 0.15 0.06 -0.18 0.00 0.04 0.00 0.00 61.00 61.06 2dhx s PRO 101 Cb 0.04 -1.79 0.04 0.00 0.04 0.00 0.00 34.50 32.83 2dhx s PRO 101 CO -0.16 -2.58 0.53 -1.12 0.04 0.00 0.00 177.00 173.71 2dhx s SER 102 N -4.19 -0.31 0.18 6.66 0.01 -1.26 -5.18 113.70 109.61 2dhx s SER 102 Ca 0.68 -0.38 -0.01 0.00 1.31 0.00 0.00 55.95 57.55 2dhx s SER 102 Cb -0.11 0.57 -0.04 0.00 0.21 0.00 0.00 66.02 66.65 2dhx s SER 102 CO 0.54 -1.02 0.10 -0.94 0.41 0.00 0.00 173.24 172.32 2dhx s SER 103 N -2.84 0.35 0.00 2.44 1.04 -1.26 -5.37 113.70 108.05 2dhx s SER 103 Ca 0.07 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.18 2dhx s SER 103 Cb -0.01 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2dhx s SER 103 CO -0.06 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 173.99