#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmd s SER 2 N 0.00 0.94 -0.17 1.61 0.01 -1.26 -5.05 113.70 109.79 2dmd s SER 2 Ca 0.00 -0.14 -0.15 0.00 1.31 0.00 0.00 55.95 56.97 2dmd s SER 2 Cb 0.00 -0.30 -0.23 0.00 0.21 0.00 0.00 66.02 65.70 2dmd s SER 2 CO 0.00 0.02 0.30 0.28 0.41 0.00 0.00 173.24 174.24 2dmd h SER 3 N 6.60 0.20 -5.00 2.44 0.02 -2.16 -3.51 113.55 112.14 2dmd h SER 3 Ca -0.34 -0.71 0.00 0.00 -0.84 0.00 0.00 61.79 59.90 2dmd h SER 3 Cb 1.17 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2dmd h SER 3 CO 0.49 1.66 0.00 0.61 -1.14 0.00 0.00 176.83 178.44 2dmd n GLY 4 N 1.68 2.55 2.99 -3.77 0.00 -1.26 -5.10 105.19 102.28 2dmd n GLY 4 Ca -0.32 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 43.74 2dmd n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmd s SER 5 N 0.00 0.50 0.28 1.61 0.01 -1.26 -5.16 113.70 109.68 2dmd s SER 5 Ca 0.00 -0.38 -0.16 0.00 1.31 0.00 0.00 55.95 56.72 2dmd s SER 5 Cb 0.00 0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.28 2dmd s SER 5 CO 0.00 -0.16 0.62 -0.94 0.41 0.00 0.00 173.24 173.16 2dmd s SER 6 N -1.08 -0.11 0.00 2.44 1.04 -1.26 -5.18 113.70 109.54 2dmd s SER 6 Ca -0.09 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.51 2dmd s SER 6 Cb -0.07 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2dmd s SER 6 CO -0.00 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 173.53 2dmd n GLY 7 N -0.44 -0.61 3.77 7.32 0.00 -1.26 -5.14 105.19 108.83 2dmd n GLY 7 Ca -0.03 -1.28 -0.39 0.00 0.00 0.00 0.00 46.02 44.32 2dmd n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmd s PRO 8 N -2.00 4.18 -0.38 1.61 0.04 -1.26 -5.03 135.00 132.17 2dmd s PRO 8 Ca 0.00 1.95 0.02 0.00 0.04 0.00 0.00 61.00 63.00 2dmd s PRO 8 Cb 0.00 -2.83 0.11 0.00 0.04 0.00 0.00 34.50 31.82 2dmd s PRO 8 CO 0.00 -0.24 0.14 -1.01 0.04 0.00 0.00 177.00 175.93 2dmd s HIS 9 N -1.31 2.45 0.15 0.56 3.76 -1.26 -5.11 115.29 114.53 2dmd s HIS 9 Ca 0.54 -2.40 -0.16 0.00 -0.15 0.00 0.00 55.06 52.88 2dmd s HIS 9 Cb -0.33 -2.18 -0.07 0.00 1.11 0.00 0.00 32.58 31.10 2dmd s HIS 9 CO 0.43 -0.85 0.58 -1.59 -0.85 0.00 0.00 174.74 172.46 2dmd s LYS 10 N 0.87 4.06 -0.44 1.40 -2.85 -1.26 -4.10 119.74 117.41 2dmd s LYS 10 Ca 0.13 0.59 -0.06 0.00 -1.00 0.00 0.00 55.97 55.63 2dmd s LYS 10 Cb -0.21 -2.97 -0.17 0.00 -2.06 0.00 0.00 37.83 32.43 2dmd s LYS 10 CO -0.11 0.49 2.84 0.00 0.10 0.00 0.00 175.35 178.67 2dmd n GLU 12 N 3.04 -0.05 -0.32 0.00 0.28 -1.26 0.43 120.64 122.75 2dmd n GLU 12 Ca 0.44 1.13 0.14 0.00 -0.16 0.00 0.00 57.16 58.70 2dmd n GLU 12 Cb 0.54 -2.00 0.27 0.00 1.43 0.00 0.00 31.44 31.68 2dmd n GLU 12 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 2dmd n VAL 13 N -4.86 -0.39 -0.04 3.84 0.24 -1.26 -3.00 118.33 112.86 2dmd n VAL 13 Ca 0.30 2.05 -0.05 0.00 -2.04 0.00 0.00 64.34 64.59 2dmd n VAL 13 Cb 1.01 -2.98 -0.03 0.00 -1.47 0.00 0.00 33.84 30.36 2dmd n VAL 13 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dmd n GLY 15 N 3.16 1.60 3.35 0.00 0.00 0.13 -5.11 105.19 108.32 2dmd n GLY 15 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 2dmd n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dmd s LYS 16 N -0.08 3.08 -0.04 1.61 2.47 -1.22 -4.94 119.74 120.63 2dmd s LYS 16 Ca 0.00 -0.87 -0.30 0.00 -1.56 0.00 0.00 55.97 53.24 2dmd s LYS 16 Cb 0.00 -3.40 -0.04 0.00 -1.46 0.00 0.00 37.83 32.93 2dmd s LYS 16 CO 0.00 -0.46 1.22 0.00 0.16 0.00 0.00 175.35 176.27 2dmd s PHE 18 N 2.14 0.82 -0.11 0.00 0.08 -1.26 -4.96 117.98 114.69 2dmd s PHE 18 Ca 0.57 -0.35 -0.13 0.00 0.12 0.00 0.00 56.93 57.14 2dmd s PHE 18 Cb -0.26 -0.89 -0.27 0.00 -0.57 0.00 0.00 43.02 41.04 2dmd s PHE 18 CO 0.23 -0.40 0.50 0.77 -0.10 0.00 0.00 175.22 176.23 2dmd h SER 19 N 8.30 0.40 -3.00 1.36 0.02 -1.95 -3.37 113.55 115.31 2dmd h SER 19 Ca -0.20 -0.87 -0.56 0.00 -0.84 0.00 0.00 61.79 59.32 2dmd h SER 19 Cb 1.12 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 63.48 2dmd h SER 19 CO 0.29 1.70 1.13 -0.13 -1.14 0.00 0.00 176.83 178.68 2dmd s ARG 20 N -2.51 3.41 0.38 3.45 1.81 -1.26 -4.87 118.95 119.37 2dmd s ARG 20 Ca -0.20 0.87 0.15 0.00 -1.72 0.00 0.00 55.73 54.83 2dmd s ARG 20 Cb 0.05 -4.10 1.02 0.00 -0.45 0.00 0.00 34.95 31.47 2dmd s ARG 20 CO 0.77 -1.78 1.80 -0.22 -0.68 0.00 0.00 175.30 175.19 2dmd h LYS 21 N 11.39 0.47 -0.92 3.54 3.64 -1.97 0.17 116.57 132.89 2dmd h LYS 21 Ca -0.28 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.11 2dmd h LYS 21 Cb 1.11 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.77 2dmd h LYS 21 CO 1.11 0.31 0.60 0.38 -2.27 0.00 0.00 179.45 179.57 2dmd h ASP 22 N 0.48 0.99 0.80 4.20 2.03 -1.99 -0.01 116.42 122.92 2dmd h ASP 22 Ca 0.56 -0.01 -0.04 0.00 -0.73 0.00 0.00 57.03 56.81 2dmd h ASP 22 Cb 1.28 -0.22 0.01 0.00 -0.83 0.00 0.00 39.33 39.57 2dmd h ASP 22 CO -0.28 0.67 -0.39 0.11 -1.03 0.00 0.00 179.24 178.33 2dmd h LYS 23 N 1.15 -1.04 -0.00 4.15 1.79 -1.06 -3.19 116.57 118.37 2dmd h LYS 23 Ca 0.37 0.07 0.03 0.00 -2.18 0.00 0.00 60.65 58.94 2dmd h LYS 23 Cb 0.02 0.24 -0.05 0.00 -1.58 0.00 0.00 32.23 30.85 2dmd h LYS 23 CO -0.13 -0.69 -0.36 1.25 -1.08 0.00 0.00 179.45 178.45 2dmd h LEU 24 N -1.24 -1.07 -0.95 2.94 7.12 -1.39 0.21 115.31 120.91 2dmd h LEU 24 Ca -0.11 0.14 0.35 0.00 0.13 0.00 0.00 57.88 58.39 2dmd h LEU 24 Cb 0.83 0.43 -0.12 0.00 -0.53 0.00 0.00 40.66 41.27 2dmd h LEU 24 CO 0.18 -0.41 0.59 1.17 -0.13 0.00 0.00 178.44 179.84 2dmd n LYS 25 N -5.43 -0.03 -0.04 1.25 4.81 -0.03 0.18 118.16 118.87 2dmd n LYS 25 Ca -0.05 0.99 -0.15 0.00 -0.87 0.00 0.00 58.31 58.23 2dmd n LYS 25 Cb 0.34 -1.89 -0.14 0.00 0.02 0.00 0.00 35.03 33.36 2dmd n LYS 25 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2dmd n THR 26 N -4.40 1.64 -0.34 3.15 -1.04 -0.44 -4.21 114.28 108.64 2dmd n THR 26 Ca 0.30 -0.71 0.21 0.00 -2.04 0.00 0.00 64.05 61.81 2dmd n THR 26 Cb 1.13 -1.31 0.45 0.00 -1.82 0.00 0.00 70.33 68.77 2dmd n THR 26 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2dmd h HIS 27 N 0.03 0.90 -0.61 -1.42 -0.00 0.49 0.67 115.15 115.21 2dmd h HIS 27 Ca -0.42 0.03 0.12 0.00 -0.00 0.00 0.00 60.37 60.10 2dmd h HIS 27 Cb 2.03 -0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 29.16 2dmd h HIS 27 CO 0.04 -0.02 0.42 0.52 -0.00 0.00 0.00 177.93 178.88 2dmd h MET 28 N 0.45 0.33 -1.10 5.26 2.86 -1.52 -2.32 114.93 118.88 2dmd h MET 28 Ca 0.67 -0.02 0.38 0.00 -2.06 0.00 0.00 59.70 58.67 2dmd h MET 28 Cb 1.48 -0.07 -0.11 0.00 0.06 0.00 0.00 31.60 32.96 2dmd h MET 28 CO -0.48 0.22 0.71 2.89 1.06 0.00 0.00 176.91 181.30 2dmd n ARG 29 N -4.46 -0.03 -0.03 1.72 1.85 0.23 0.17 116.66 116.11 2dmd n ARG 29 Ca 0.11 1.00 -0.13 0.00 -1.00 0.00 0.00 57.85 57.82 2dmd n ARG 29 Cb 0.44 -1.97 -0.11 0.00 -1.05 0.00 0.00 32.46 29.78 2dmd n ARG 29 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2dmd n HIS 31 N -4.79 3.85 -3.88 0.00 8.25 0.44 -4.83 115.22 114.26 2dmd n HIS 31 Ca -0.09 -2.96 -0.28 0.00 -0.26 0.00 0.00 57.72 54.13 2dmd n HIS 31 Cb 0.31 -2.35 -0.12 0.00 1.12 0.00 0.00 29.99 28.95 2dmd n HIS 31 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2dmd n THR 32 N 4.83 1.71 -3.34 1.59 -2.24 -1.24 -4.93 114.28 110.65 2dmd n THR 32 Ca 0.46 -4.90 -0.14 0.00 -2.27 0.00 0.00 64.05 57.19 2dmd n THR 32 Cb 0.40 -2.19 -0.07 0.00 -2.10 0.00 0.00 70.33 66.38 2dmd n THR 32 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2dmd s GLY 33 N -1.52 -0.18 -1.04 3.38 0.00 -1.26 -5.03 107.32 101.67 2dmd s GLY 33 Ca 0.26 -0.82 -0.03 0.00 0.00 0.00 0.00 44.72 44.13 2dmd s GLY 33 CO -0.16 2.86 2.11 3.33 0.00 0.00 0.00 173.10 181.23 2dmd n VAL 34 N 4.27 5.27 -3.71 1.40 0.24 -1.26 -4.95 118.33 119.59 2dmd n VAL 34 Ca 0.11 -5.00 -0.37 0.00 -2.04 0.00 0.00 64.34 57.04 2dmd n VAL 34 Cb 0.47 -1.66 -0.12 0.00 -1.47 0.00 0.00 33.84 31.05 2dmd n VAL 34 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2dmd s LYS 35 N -3.13 3.64 0.00 7.34 3.01 -1.26 -4.96 119.74 124.38 2dmd s LYS 35 Ca 0.47 -0.50 0.16 0.00 -1.01 0.00 0.00 55.97 55.09 2dmd s LYS 35 Cb 0.24 -3.42 0.91 0.00 -1.01 0.00 0.00 37.83 34.55 2dmd s LYS 35 CO -0.17 -0.23 1.35 -0.35 0.51 0.00 0.00 175.35 176.47 2dmd n PRO 36 N 4.96 0.45 -3.53 -1.68 -0.04 -1.26 -4.33 135.00 129.56 2dmd n PRO 36 Ca -0.15 0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 62.91 2dmd n PRO 36 Cb 0.51 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 2dmd n PRO 36 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2dmd s TYR 37 N -2.08 3.56 0.04 0.54 2.02 -1.26 -5.04 117.35 115.12 2dmd s TYR 37 Ca 0.22 -2.28 0.06 0.00 -0.37 0.00 0.00 57.07 54.70 2dmd s TYR 37 Cb 0.11 -3.51 -0.02 0.00 -0.40 0.00 0.00 41.96 38.13 2dmd s TYR 37 CO 0.19 -0.93 -0.16 0.15 -1.57 0.00 0.00 175.55 173.23 2dmd s LYS 38 N 0.24 1.08 1.03 -0.62 1.02 -1.26 -0.67 119.74 120.56 2dmd s LYS 38 Ca 0.16 -0.82 -0.12 0.00 0.02 0.00 0.00 55.97 55.21 2dmd s LYS 38 Cb -0.17 -1.13 0.18 0.00 -0.52 0.00 0.00 37.83 36.19 2dmd s LYS 38 CO -0.05 0.28 0.88 0.00 -0.92 0.00 0.00 175.35 175.54 2dmd h LYS 40 N -2.14 0.68 0.00 0.00 1.63 -1.99 -3.41 116.57 111.34 2dmd h LYS 40 Ca -0.50 -0.67 -0.18 0.00 -0.85 0.00 0.00 60.65 58.45 2dmd h LYS 40 Cb 1.30 0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 33.08 2dmd h LYS 40 CO 0.42 1.27 -1.51 -2.37 -3.45 0.00 0.00 179.45 173.82 2dmd n THR 41 N -3.86 0.75 -0.79 1.00 5.66 -1.26 -5.04 114.28 110.74 2dmd n THR 41 Ca -0.09 -0.11 -0.30 0.00 -3.05 0.00 0.00 64.05 60.50 2dmd n THR 41 Cb 0.84 -1.70 0.18 0.00 -1.55 0.00 0.00 70.33 68.10 2dmd n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dmd n ASP 43 N -4.34 5.97 -4.80 0.00 8.00 -1.26 -4.13 116.55 115.99 2dmd n ASP 43 Ca 0.08 -3.76 -0.38 0.00 0.71 0.00 0.00 54.79 51.44 2dmd n ASP 43 Cb 0.53 -0.78 -0.06 0.00 -0.02 0.00 0.00 41.12 40.79 2dmd n ASP 43 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2dmd s TYR 44 N -3.64 3.68 -0.12 1.24 5.04 -1.26 -4.98 117.35 117.31 2dmd s TYR 44 Ca 0.58 1.00 0.03 0.00 -2.44 0.00 0.00 57.07 56.25 2dmd s TYR 44 Cb 0.47 -2.40 0.01 0.00 0.35 0.00 0.00 41.96 40.39 2dmd s TYR 44 CO 0.02 0.49 -0.22 0.00 -1.34 0.00 0.00 175.55 174.50 2dmd s ALA 45 N -0.57 2.16 0.13 3.97 0.00 -1.26 -2.54 121.76 123.66 2dmd s ALA 45 Ca 0.25 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 51.28 2dmd s ALA 45 Cb -0.17 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 2dmd s ALA 45 CO 0.13 0.10 -0.11 0.00 0.00 0.00 0.00 175.76 175.88 2dmd s ALA 46 N 0.62 2.91 -0.12 0.00 0.00 0.15 -5.02 121.76 120.30 2dmd s ALA 46 Ca -0.12 -1.35 -0.25 0.00 0.00 0.00 0.00 51.96 50.24 2dmd s ALA 46 Cb -0.17 -0.80 -0.27 0.00 0.00 0.00 0.00 23.12 21.89 2dmd s ALA 46 CO 0.03 0.57 0.73 0.00 0.00 0.00 0.00 175.76 177.08 2dmd h ALA 47 N 3.37 0.02 -3.00 0.00 0.00 -1.97 -3.36 119.26 114.31 2dmd h ALA 47 Ca -0.48 -0.69 -0.59 0.00 0.00 0.00 0.00 54.91 53.14 2dmd h ALA 47 Cb 1.18 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 19.02 2dmd h ALA 47 CO 0.52 0.27 -0.27 0.16 0.00 0.00 0.00 179.25 179.92 2dmd s ASP 48 N -6.59 6.44 0.11 0.00 -4.77 -1.26 -4.92 116.67 105.67 2dmd s ASP 48 Ca -0.18 0.52 -0.21 0.00 -3.30 0.00 0.00 52.55 49.37 2dmd s ASP 48 Cb -0.00 -2.21 -0.05 0.00 -1.09 0.00 0.00 42.92 39.58 2dmd s ASP 48 CO 0.73 0.02 1.36 -1.54 0.70 0.00 0.00 175.17 176.45 2dmd n SER 49 N 3.95 -0.72 -0.29 2.11 3.41 -1.26 -0.29 113.62 120.52 2dmd n SER 49 Ca -0.10 1.53 0.04 0.00 -0.26 0.00 0.00 58.87 60.07 2dmd n SER 49 Cb 0.52 -0.31 0.09 0.00 -0.26 0.00 0.00 64.21 64.25 2dmd n SER 49 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dmd n SER 50 N -4.54 -0.33 -0.28 4.04 3.41 -1.26 0.96 113.62 115.62 2dmd n SER 50 Ca 0.01 1.36 0.01 0.00 -0.26 0.00 0.00 58.87 60.00 2dmd n SER 50 Cb 0.18 -0.39 0.09 0.00 -0.26 0.00 0.00 64.21 63.82 2dmd n SER 50 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dmd h SER 51 N 0.00 -0.86 -0.39 4.04 0.87 -1.06 0.36 113.55 116.50 2dmd h SER 51 Ca 0.36 0.25 -0.13 0.00 -1.23 0.00 0.00 61.79 61.04 2dmd h SER 51 Cb 0.55 0.53 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 2dmd h SER 51 CO -0.81 -0.28 -0.23 0.25 -0.53 0.00 0.00 176.83 175.24 2dmd h LEU 52 N -0.02 0.92 -0.65 2.23 5.85 0.61 -2.42 115.31 121.82 2dmd h LEU 52 Ca 0.37 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.80 2dmd h LEU 52 Cb 0.59 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 2dmd h LEU 52 CO -0.83 1.10 0.37 0.78 -0.34 0.00 0.00 178.44 179.52 2dmd h ASN 53 N 0.77 0.57 -0.47 1.25 4.21 0.59 -2.20 115.58 120.30 2dmd h ASN 53 Ca 0.10 0.02 -0.11 0.00 1.21 0.00 0.00 56.30 57.52 2dmd h ASN 53 Cb 0.78 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.87 2dmd h ASN 53 CO 0.06 0.37 -0.14 0.50 -1.29 0.00 0.00 177.43 176.94 2dmd h LYS 54 N 0.70 0.93 -0.83 0.81 1.63 -0.71 -2.92 116.57 116.19 2dmd h LYS 54 Ca 0.29 -0.37 0.14 0.00 -0.85 0.00 0.00 60.65 59.85 2dmd h LYS 54 Cb 0.14 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.67 2dmd h LYS 54 CO -0.16 1.03 0.54 1.25 -3.45 0.00 0.00 179.45 178.66 2dmd h HIS 55 N 0.78 0.69 0.00 1.91 2.76 -0.90 0.28 115.15 120.67 2dmd h HIS 55 Ca 0.12 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 2dmd h HIS 55 Cb 0.70 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.44 2dmd h HIS 55 CO 0.05 0.27 -0.09 -0.07 -1.30 0.00 0.00 177.93 176.79 2dmd h LEU 56 N 0.60 0.00 0.19 0.26 3.38 -1.23 -3.10 115.31 115.41 2dmd h LEU 56 Ca 0.41 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.39 2dmd h LEU 56 Cb 0.73 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2dmd h LEU 56 CO -0.16 0.09 -0.32 0.03 0.09 0.00 0.00 178.44 178.17 2dmd h ARG 57 N 0.00 -0.57 -1.13 1.13 2.47 -0.47 -1.56 114.38 114.25 2dmd h ARG 57 Ca -0.00 0.04 0.32 0.00 -1.26 0.00 0.00 59.98 59.08 2dmd h ARG 57 Cb 0.37 0.13 -0.10 0.00 -1.65 0.00 0.00 29.97 28.72 2dmd h ARG 57 CO 0.01 -0.38 0.73 -0.84 0.56 0.00 0.00 179.97 180.06 2dmd h ILE 58 N -0.59 0.39 -3.03 2.04 3.07 -1.64 -3.37 117.51 114.38 2dmd h ILE 58 Ca 0.01 -0.09 -0.57 0.00 1.55 0.00 0.00 64.86 65.76 2dmd h ILE 58 Cb 0.59 0.09 -0.04 0.00 -0.27 0.00 0.00 36.82 37.19 2dmd h ILE 58 CO -0.14 0.05 1.01 -1.00 -1.05 0.00 0.00 178.15 177.02 2dmd s HIS 59 N -5.40 2.54 -0.61 0.16 3.76 -0.59 -4.95 115.29 110.20 2dmd s HIS 59 Ca -0.08 0.79 -0.27 0.00 -0.15 0.00 0.00 55.06 55.34 2dmd s HIS 59 Cb 0.27 -3.90 -0.00 0.00 1.11 0.00 0.00 32.58 30.05 2dmd s HIS 59 CO 0.81 -2.05 1.65 0.45 -0.85 0.00 0.00 174.74 174.74 2dmd s SER 60 N 3.12 5.68 -0.05 1.40 0.15 -1.26 -4.94 113.70 117.79 2dmd s SER 60 Ca 0.60 0.24 -0.02 0.00 0.70 0.00 0.00 55.95 57.47 2dmd s SER 60 Cb -0.19 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.61 2dmd s SER 60 CO 0.24 -2.08 0.08 -1.81 1.20 0.00 0.00 173.24 170.87 2dmd s ASP 61 N 6.30 0.79 -0.67 5.45 1.01 -1.26 -5.10 116.67 123.18 2dmd s ASP 61 Ca 0.58 0.14 -0.17 0.00 0.71 0.00 0.00 52.55 53.81 2dmd s ASP 61 Cb -0.12 -0.03 0.14 0.00 1.01 0.00 0.00 42.92 43.92 2dmd s ASP 61 CO 0.21 -0.22 0.72 -0.70 0.21 0.00 0.00 175.17 175.40 2dmd s GLU 62 N 1.93 3.23 -0.57 8.23 2.12 -1.26 -4.94 118.70 127.43 2dmd s GLU 62 Ca 0.01 -1.72 0.06 0.00 0.36 0.00 0.00 54.97 53.68 2dmd s GLU 62 Cb -0.12 -4.39 0.21 0.00 0.26 0.00 0.00 34.13 30.09 2dmd s GLU 62 CO -0.04 -1.47 0.55 2.89 -0.54 0.00 0.00 175.26 176.66 2dmd n ARG 63 N 5.58 1.55 0.15 4.30 1.85 -1.26 -4.26 116.66 124.56 2dmd n ARG 63 Ca -0.01 -4.07 0.00 0.00 -1.00 0.00 0.00 57.85 52.77 2dmd n ARG 63 Cb 0.44 -1.96 0.26 0.00 -1.05 0.00 0.00 32.46 30.14 2dmd n ARG 63 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 2dmd h PRO 64 N 4.78 0.04 -6.90 2.89 0.13 -1.87 -3.44 132.00 127.63 2dmd h PRO 64 Ca 0.17 -0.02 -0.47 0.00 -0.87 0.00 0.00 66.00 64.81 2dmd h PRO 64 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 2dmd h PRO 64 CO 0.64 0.52 0.36 -0.06 -0.23 0.00 0.00 178.00 179.24 2dmd s PHE 65 N -3.94 3.60 -0.14 1.56 0.08 -1.23 -5.03 117.98 112.88 2dmd s PHE 65 Ca -0.02 1.75 -0.07 0.00 0.12 0.00 0.00 56.93 58.71 2dmd s PHE 65 Cb 0.13 -2.98 0.06 0.00 -0.57 0.00 0.00 43.02 39.66 2dmd s PHE 65 CO 0.75 0.01 0.33 0.15 -0.10 0.00 0.00 175.22 176.36 2dmd s LYS 66 N -2.12 0.28 0.77 0.44 1.02 -1.26 -3.28 119.74 115.59 2dmd s LYS 66 Ca 0.51 0.72 -0.11 0.00 0.02 0.00 0.00 55.97 57.12 2dmd s LYS 66 Cb -0.20 -0.02 0.06 0.00 -0.52 0.00 0.00 37.83 37.15 2dmd s LYS 66 CO 0.25 -0.19 1.10 0.00 -0.92 0.00 0.00 175.35 175.59 2dmd h GLN 68 N -1.10 0.00 -0.37 0.00 4.20 -1.98 -3.40 115.11 112.46 2dmd h GLN 68 Ca -0.44 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.35 2dmd h GLN 68 Cb 1.23 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.94 2dmd h GLN 68 CO 0.51 0.09 -0.10 0.82 -0.67 0.00 0.00 178.83 179.48 2dmd h ILE 69 N -1.00 0.61 -3.34 2.54 5.03 -2.00 -3.42 117.51 115.92 2dmd h ILE 69 Ca -0.03 0.00 -0.66 0.00 -0.12 0.00 0.00 64.86 64.05 2dmd h ILE 69 Cb 0.54 0.61 -0.18 0.00 -3.03 0.00 0.00 36.82 34.76 2dmd h ILE 69 CO -0.02 0.00 -0.81 0.00 -0.68 0.00 0.00 178.15 176.65 2dmd n PRO 71 N 0.39 0.49 -0.77 0.00 -0.04 -1.26 -3.88 135.00 129.93 2dmd n PRO 71 Ca -0.13 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.99 2dmd n PRO 71 Cb 0.55 -1.29 0.13 0.00 -0.04 0.00 0.00 33.50 32.85 2dmd n PRO 71 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2dmd n TYR 72 N -0.79 -1.68 -3.71 0.54 9.36 -1.26 -4.73 117.16 114.89 2dmd n TYR 72 Ca 0.07 0.20 -0.11 0.00 3.32 0.00 0.00 57.90 61.37 2dmd n TYR 72 Cb 0.03 -1.67 -0.06 0.00 -0.63 0.00 0.00 39.34 37.01 2dmd n TYR 72 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2dmd s ALA 73 N -2.30 -0.77 0.01 2.98 0.00 -1.26 -2.08 121.76 118.33 2dmd s ALA 73 Ca 0.55 -0.02 -0.03 0.00 0.00 0.00 0.00 51.96 52.45 2dmd s ALA 73 Cb -0.17 0.46 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 2dmd s ALA 73 CO 0.68 -0.51 0.05 -1.54 0.00 0.00 0.00 175.76 174.45 2dmd s SER 74 N -2.38 0.11 0.39 0.00 1.04 -1.20 -5.02 113.70 106.64 2dmd s SER 74 Ca -0.01 -0.31 0.21 0.00 0.48 0.00 0.00 55.95 56.32 2dmd s SER 74 Cb 0.01 0.15 0.63 0.00 0.10 0.00 0.00 66.02 66.91 2dmd s SER 74 CO -0.07 -0.30 1.70 0.08 0.98 0.00 0.00 173.24 175.63 2dmd h ARG 75 N 4.62 0.00 -5.43 4.02 -0.00 -1.91 -3.27 114.38 112.42 2dmd h ARG 75 Ca -0.31 0.00 -0.42 0.00 -0.00 0.00 0.00 59.98 59.25 2dmd h ARG 75 Cb 1.20 0.00 -0.20 0.00 -0.00 0.00 0.00 29.97 30.97 2dmd h ARG 75 CO 0.41 0.29 -0.78 1.21 -0.00 0.00 0.00 179.97 181.11 2dmd s ASN 76 N -6.28 1.85 0.10 0.08 2.47 -1.26 -4.80 114.94 107.10 2dmd s ASN 76 Ca 0.02 -0.69 -0.17 0.00 0.42 0.00 0.00 52.86 52.44 2dmd s ASN 76 Cb 0.09 -0.06 -0.05 0.00 -1.45 0.00 0.00 41.25 39.78 2dmd s ASN 76 CO 0.67 -0.09 1.58 0.77 -3.72 0.00 0.00 177.10 176.30 2dmd h SER 77 N 4.01 0.50 -0.62 -4.21 4.64 -2.01 -3.19 113.55 112.67 2dmd h SER 77 Ca -0.41 -0.27 0.09 0.00 -0.47 0.00 0.00 61.79 60.73 2dmd h SER 77 Cb 1.19 -0.13 -0.11 0.00 -0.31 0.00 0.00 62.40 63.04 2dmd h SER 77 CO 0.44 0.64 -0.46 0.28 -0.87 0.00 0.00 176.83 176.85 2dmd h SER 78 N 0.34 -1.61 -0.71 4.97 0.02 -1.99 0.12 113.55 114.68 2dmd h SER 78 Ca 0.09 0.26 0.16 0.00 -0.84 0.00 0.00 61.79 61.46 2dmd h SER 78 Cb 0.35 0.72 -0.11 0.00 0.14 0.00 0.00 62.40 63.51 2dmd h SER 78 CO 0.01 -0.33 0.11 1.56 -1.14 0.00 0.00 176.83 177.03 2dmd h GLN 79 N -0.22 0.20 -0.90 3.45 1.08 -1.99 0.11 115.11 116.84 2dmd h GLN 79 Ca 0.17 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.42 2dmd h GLN 79 Cb 0.56 -0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.88 2dmd h GLN 79 CO -0.72 0.13 0.57 1.25 -0.95 0.00 0.00 178.83 179.11 2dmd h LEU 80 N 0.20 0.90 -0.37 1.46 5.85 -0.81 -1.13 115.31 121.42 2dmd h LEU 80 Ca 0.39 0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.20 2dmd h LEU 80 Cb 0.67 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 2dmd h LEU 80 CO -0.54 0.58 -0.12 0.74 -0.34 0.00 0.00 178.44 178.76 2dmd h THR 81 N 1.04 0.57 -0.33 1.05 2.02 0.40 -0.06 112.91 117.59 2dmd h THR 81 Ca 0.39 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.45 2dmd h THR 81 Cb 0.15 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2dmd h THR 81 CO -0.17 0.00 -0.29 0.58 0.37 0.00 0.00 175.52 176.01 2dmd h VAL 82 N -0.04 1.28 0.32 3.16 2.07 -1.24 -3.22 116.25 118.58 2dmd h VAL 82 Ca 0.18 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 2dmd h VAL 82 Cb 0.32 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2dmd h VAL 82 CO -0.40 0.46 -0.25 -0.74 0.02 0.00 0.00 177.57 176.65 2dmd h HIS 83 N 0.60 -0.67 -0.99 1.57 6.17 -0.16 -2.67 115.15 118.99 2dmd h HIS 83 Ca 0.07 -0.00 0.26 0.00 0.71 0.00 0.00 60.37 61.41 2dmd h HIS 83 Cb 0.80 0.25 -0.19 0.00 2.52 0.00 0.00 27.41 30.79 2dmd h HIS 83 CO 0.04 -0.38 -0.03 1.28 0.71 0.00 0.00 177.93 179.55 2dmd n LEU 84 N -5.38 -0.16 -0.25 0.26 4.77 -0.14 0.24 117.00 116.34 2dmd n LEU 84 Ca -0.09 1.69 0.20 0.00 -0.03 0.00 0.00 56.01 57.77 2dmd n LEU 84 Cb 0.29 -0.60 0.37 0.00 -2.33 0.00 0.00 43.42 41.15 2dmd n LEU 84 CO 0.31 -1.69 0.73 0.54 -1.33 0.00 0.00 177.39 175.95 2dmd n ARG 85 N -5.51 -0.05 -0.26 3.23 1.74 -1.01 0.85 116.66 115.66 2dmd n ARG 85 Ca 0.22 1.09 -0.01 0.00 -0.77 0.00 0.00 57.85 58.38 2dmd n ARG 85 Cb 0.72 -1.86 0.06 0.00 -1.02 0.00 0.00 32.46 30.35 2dmd n ARG 85 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2dmd h SER 86 N 0.00 -0.94 -0.39 0.55 0.02 -0.37 -3.28 113.55 109.13 2dmd h SER 86 Ca 0.58 0.24 -0.13 0.00 -0.84 0.00 0.00 61.79 61.64 2dmd h SER 86 Cb 1.43 0.54 -0.02 0.00 0.14 0.00 0.00 62.40 64.49 2dmd h SER 86 CO -0.64 -0.28 0.36 -1.00 -1.14 0.00 0.00 176.83 174.14 2dmd s HIS 87 N -6.13 1.44 -0.15 3.45 3.76 0.25 -4.69 115.29 113.22 2dmd s HIS 87 Ca -0.14 1.53 -0.25 0.00 -0.15 0.00 0.00 55.06 56.05 2dmd s HIS 87 Cb 0.20 -3.63 -0.24 0.00 1.11 0.00 0.00 32.58 30.01 2dmd s HIS 87 CO 0.73 -1.32 0.59 1.79 -0.85 0.00 0.00 174.74 175.68 2dmd h THR 88 N 7.11 1.44 -1.78 1.30 1.35 -1.82 -3.37 112.91 117.14 2dmd h THR 88 Ca 0.06 -2.32 -0.74 0.00 -0.55 0.00 0.00 66.41 62.86 2dmd h THR 88 Cb 0.99 2.97 -0.23 0.00 -1.73 0.00 0.00 68.15 70.15 2dmd h THR 88 CO 1.09 0.54 1.22 0.61 -0.25 0.00 0.00 175.52 178.73 2dmd n GLY 89 N 1.57 5.52 3.57 5.82 0.00 -1.26 -4.92 105.19 115.48 2dmd n GLY 89 Ca -0.18 -2.34 -0.34 0.00 0.00 0.00 0.00 46.02 43.16 2dmd n GLY 89 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dmd s ASP 90 N -0.67 5.82 -0.26 1.61 -4.77 -1.26 -4.94 116.67 112.21 2dmd s ASP 90 Ca 0.49 -1.40 -0.29 0.00 -3.30 0.00 0.00 52.55 48.04 2dmd s ASP 90 Cb 0.29 -2.57 -0.02 0.00 -1.09 0.00 0.00 42.92 39.52 2dmd s ASP 90 CO -0.22 -2.17 1.65 -0.44 0.70 0.00 0.00 175.17 174.69 2dmd s SER 91 N 6.16 6.25 0.00 2.11 0.01 -1.26 -4.90 113.70 122.07 2dmd s SER 91 Ca 0.60 1.48 0.00 0.00 1.31 0.00 0.00 55.95 59.34 2dmd s SER 91 Cb -0.02 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2dmd s SER 91 CO 0.01 -1.39 0.00 0.61 0.41 0.00 0.00 173.24 172.88 2dmd n GLY 92 N 4.89 3.46 3.77 3.44 0.00 -1.26 -5.16 105.19 114.33 2dmd n GLY 92 Ca 0.20 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 2dmd n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmd s PRO 93 N 1.19 3.28 -0.30 1.61 0.04 -1.26 -5.05 135.00 134.51 2dmd s PRO 93 Ca 0.00 1.58 -0.13 0.00 0.04 0.00 0.00 61.00 62.49 2dmd s PRO 93 Cb 0.00 -2.00 0.17 0.00 0.04 0.00 0.00 34.50 32.72 2dmd s PRO 93 CO 0.00 -0.90 0.99 0.45 0.04 0.00 0.00 177.00 177.58 2dmd s SER 94 N -1.88 -0.58 0.35 6.66 0.15 -1.26 -5.18 113.70 111.97 2dmd s SER 94 Ca 0.72 0.57 0.07 0.00 0.70 0.00 0.00 55.95 58.00 2dmd s SER 94 Cb -0.23 1.57 -0.01 0.00 -1.71 0.00 0.00 66.02 65.64 2dmd s SER 94 CO 0.29 -0.11 0.48 -0.44 1.20 0.00 0.00 173.24 174.66 2dmd s SER 95 N 2.67 5.87 0.00 5.45 0.01 -1.26 -5.33 113.70 121.11 2dmd s SER 95 Ca 0.00 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.01 2dmd s SER 95 Cb -0.08 -1.10 0.00 0.00 0.21 0.00 0.00 66.02 65.05 2dmd s SER 95 CO -0.15 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.62