#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmd n SER 2 N 0.00 1.86 -1.78 1.61 7.64 -1.26 -5.03 113.62 116.67 2dmd n SER 2 Ca 0.00 0.50 -0.09 0.00 1.01 0.00 0.00 58.87 60.29 2dmd n SER 2 Cb 0.00 -0.83 0.03 0.00 -1.01 0.00 0.00 64.21 62.40 2dmd n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dmd n SER 3 N -4.53 -3.50 -3.09 6.43 2.88 -1.26 -5.01 113.62 105.54 2dmd n SER 3 Ca -0.14 -0.22 -0.18 0.00 -1.33 0.00 0.00 58.87 57.00 2dmd n SER 3 Cb 0.41 -2.33 -0.04 0.00 -0.75 0.00 0.00 64.21 61.50 2dmd n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmd n GLY 4 N -1.10 1.39 0.16 0.46 0.00 -1.26 -5.00 105.19 99.84 2dmd n GLY 4 Ca -0.01 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 2dmd n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dmd h SER 5 N 4.76 -0.26 -5.72 1.61 0.87 -2.06 -3.49 113.55 109.26 2dmd h SER 5 Ca 0.10 -0.27 0.30 0.00 -1.23 0.00 0.00 61.79 60.69 2dmd h SER 5 Cb 0.97 0.07 -0.08 0.00 -0.44 0.00 0.00 62.40 62.91 2dmd h SER 5 CO 0.31 0.20 0.81 -0.94 -0.53 0.00 0.00 176.83 176.68 2dmd s SER 6 N -5.29 -0.03 0.00 6.23 1.04 -1.26 -5.19 113.70 109.20 2dmd s SER 6 Ca -0.13 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2dmd s SER 6 Cb 0.01 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2dmd s SER 6 CO 0.50 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.90 2dmd n GLY 7 N -0.69 6.00 3.77 7.32 0.00 -1.26 -5.14 105.19 115.19 2dmd n GLY 7 Ca -0.03 -1.61 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 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 1.34 3.86 -0.56 1.61 0.04 -1.26 -5.02 135.00 135.02 2dmd s PRO 8 Ca 0.00 1.81 0.01 0.00 0.04 0.00 0.00 61.00 62.86 2dmd s PRO 8 Cb 0.00 -2.51 0.14 0.00 0.04 0.00 0.00 34.50 32.17 2dmd s PRO 8 CO 0.00 -0.47 0.33 -1.01 0.04 0.00 0.00 177.00 175.89 2dmd s HIS 9 N -1.49 3.33 -0.26 0.56 3.76 -1.26 -5.05 115.29 114.88 2dmd s HIS 9 Ca 0.61 -2.94 0.02 0.00 -0.15 0.00 0.00 55.06 52.60 2dmd s HIS 9 Cb -0.30 -3.01 0.06 0.00 1.11 0.00 0.00 32.58 30.45 2dmd s HIS 9 CO 0.37 -0.80 -0.08 0.21 -0.85 0.00 0.00 174.74 173.59 2dmd s LYS 10 N -0.09 1.97 1.06 1.40 2.20 -1.26 -2.05 119.74 122.97 2dmd s LYS 10 Ca 0.16 -1.28 -0.21 0.00 -0.36 0.00 0.00 55.97 54.29 2dmd s LYS 10 Cb -0.23 -2.81 -0.02 0.00 -1.51 0.00 0.00 37.83 33.26 2dmd s LYS 10 CO -0.02 -0.61 -0.51 0.00 -0.36 0.00 0.00 175.35 173.84 2dmd n GLU 12 N -0.25 0.00 -0.30 0.00 0.00 -1.26 -3.98 120.64 114.85 2dmd n GLU 12 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.30 2dmd n GLU 12 Cb 0.65 -0.36 0.31 0.00 0.00 0.00 0.00 31.44 32.04 2dmd n GLU 12 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 2dmd h VAL 13 N 0.00 0.35 0.00 6.31 -1.51 -2.01 -3.08 116.25 116.31 2dmd h VAL 13 Ca 0.00 -0.09 -0.23 0.00 -1.23 0.00 0.00 66.70 65.15 2dmd h VAL 13 Cb 0.67 0.07 -0.04 0.00 -2.13 0.00 0.00 31.29 29.86 2dmd h VAL 13 CO 0.00 0.05 -1.87 0.00 -1.23 0.00 0.00 177.57 174.52 2dmd n GLY 15 N 2.73 0.64 3.88 0.00 0.00 -1.17 -5.10 105.19 106.17 2dmd n GLY 15 Ca -0.27 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.55 2.43 -0.15 1.61 2.20 -1.26 -4.92 119.74 118.10 2dmd s LYS 16 Ca 0.00 -1.68 0.02 0.00 -0.36 0.00 0.00 55.97 53.95 2dmd s LYS 16 Cb 0.00 -2.29 0.01 0.00 -1.51 0.00 0.00 37.83 34.04 2dmd s LYS 16 CO 0.00 -0.31 -0.21 0.00 -0.36 0.00 0.00 175.35 174.47 2dmd s PHE 18 N 0.94 1.04 -0.58 0.00 0.08 -0.87 -5.02 117.98 113.57 2dmd s PHE 18 Ca -0.04 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.62 2dmd s PHE 18 Cb -0.15 -0.91 0.51 0.00 -0.57 0.00 0.00 43.02 41.90 2dmd s PHE 18 CO -0.04 -0.32 1.99 0.45 -0.10 0.00 0.00 175.22 177.19 2dmd n SER 19 N 4.51 6.32 -3.64 1.36 2.88 -1.26 -4.05 113.62 119.74 2dmd n SER 19 Ca -0.17 -3.70 -0.04 0.00 -1.33 0.00 0.00 58.87 53.64 2dmd n SER 19 Cb 0.51 -0.93 -0.07 0.00 -0.75 0.00 0.00 64.21 62.97 2dmd n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dmd s ARG 20 N -3.57 0.43 0.51 -1.46 1.70 -1.26 -5.02 118.95 110.28 2dmd s ARG 20 Ca 0.61 0.70 0.33 0.00 -0.47 0.00 0.00 55.73 56.90 2dmd s ARG 20 Cb 0.49 0.11 1.43 0.00 -0.57 0.00 0.00 34.95 36.41 2dmd s ARG 20 CO 0.03 -0.08 1.98 1.57 -1.08 0.00 0.00 175.30 177.71 2dmd h LYS 21 N 5.86 0.00 -0.47 3.89 5.09 -1.99 -2.72 116.57 126.24 2dmd h LYS 21 Ca -0.28 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.36 2dmd h LYS 21 Cb 1.19 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.51 2dmd h LYS 21 CO 0.18 0.00 -0.09 0.22 -2.09 0.00 0.00 179.45 177.67 2dmd h ASP 22 N 0.00 0.82 0.38 7.07 1.82 -2.00 0.42 116.42 124.93 2dmd h ASP 22 Ca 0.00 -0.24 -0.32 0.00 -0.39 0.00 0.00 57.03 56.08 2dmd h ASP 22 Cb 0.41 -0.22 0.03 0.00 0.68 0.00 0.00 39.33 40.22 2dmd h ASP 22 CO 0.00 0.94 -1.42 0.11 -1.61 0.00 0.00 179.24 177.26 2dmd h LYS 23 N 0.76 0.46 -0.42 0.28 1.57 -1.91 -3.32 116.57 113.98 2dmd h LYS 23 Ca 0.13 -0.78 -0.11 0.00 -1.87 0.00 0.00 60.65 58.01 2dmd h LYS 23 Cb 0.59 0.29 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 2dmd h LYS 23 CO 0.04 1.37 -0.19 1.25 -0.57 0.00 0.00 179.45 181.35 2dmd h LEU 24 N 0.13 0.83 -0.32 2.94 7.12 -1.44 -0.40 115.31 124.16 2dmd h LEU 24 Ca -0.22 -0.29 0.05 0.00 0.13 0.00 0.00 57.88 57.55 2dmd h LEU 24 Cb 2.11 -0.23 -0.08 0.00 -0.53 0.00 0.00 40.66 41.94 2dmd h LEU 24 CO 0.25 1.01 -0.52 0.11 -0.13 0.00 0.00 178.44 179.16 2dmd h LYS 25 N 0.72 -0.43 -0.07 1.25 1.57 -1.00 -2.20 116.57 116.41 2dmd h LYS 25 Ca 0.10 0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.72 2dmd h LYS 25 Cb 0.71 0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.13 2dmd h LYS 25 CO 0.05 -0.28 -0.69 1.15 -0.57 0.00 0.00 179.45 179.11 2dmd h THR 26 N -0.44 1.34 -1.04 -0.16 2.02 -1.68 -3.18 112.91 109.77 2dmd h THR 26 Ca 0.08 -2.00 0.30 0.00 0.77 0.00 0.00 66.41 65.56 2dmd h THR 26 Cb 0.62 2.28 -0.04 0.00 -1.74 0.00 0.00 68.15 69.27 2dmd h THR 26 CO -0.54 0.61 1.11 -0.74 0.37 0.00 0.00 175.52 176.33 2dmd h HIS 27 N 0.21 0.00 0.14 3.16 6.17 -0.66 1.67 115.15 125.85 2dmd h HIS 27 Ca -0.07 0.00 -0.29 0.00 0.71 0.00 0.00 60.37 60.72 2dmd h HIS 27 Cb 1.35 0.00 0.02 0.00 2.52 0.00 0.00 27.41 31.30 2dmd h HIS 27 CO 0.11 0.00 -1.27 0.52 0.71 0.00 0.00 177.93 178.01 2dmd h MET 28 N 0.00 0.48 -1.50 5.26 2.86 -1.38 -3.28 114.93 117.36 2dmd h MET 28 Ca 0.49 -0.70 0.48 0.00 -2.06 0.00 0.00 59.70 57.91 2dmd h MET 28 Cb 2.72 0.25 -0.12 0.00 0.06 0.00 0.00 31.60 34.50 2dmd h MET 28 CO -0.01 1.32 1.01 0.00 1.06 0.00 0.00 176.91 180.29 2dmd h ARG 29 N 0.18 0.03 0.11 1.72 3.08 0.24 0.91 114.38 120.65 2dmd h ARG 29 Ca -0.18 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 2dmd h ARG 29 Cb 1.96 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.00 2dmd h ARG 29 CO 0.23 0.02 -0.05 0.00 -1.07 0.00 0.00 179.97 179.09 2dmd h HIS 31 N -0.94 -0.87 -0.77 0.00 3.86 -0.72 -3.45 115.15 112.27 2dmd h HIS 31 Ca -0.02 -0.02 -0.44 0.00 -1.16 0.00 0.00 60.37 58.73 2dmd h HIS 31 Cb 0.49 0.29 0.08 0.00 1.06 0.00 0.00 27.41 29.33 2dmd h HIS 31 CO 0.10 -0.52 -0.42 2.41 0.86 0.00 0.00 177.93 180.36 2dmd n THR 32 N -5.41 1.14 0.00 2.45 -1.04 0.28 -4.57 114.28 107.14 2dmd n THR 32 Ca -0.12 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 2dmd n THR 32 Cb 0.38 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 2dmd n THR 32 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dmd n GLY 33 N 1.39 0.92 1.60 3.41 0.00 -1.26 -4.91 105.19 106.34 2dmd n GLY 33 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 2dmd n GLY 33 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2dmd n VAL 34 N 0.00 0.00 -3.26 1.61 0.24 -1.26 -4.93 118.33 110.73 2dmd n VAL 34 Ca 0.00 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 61.85 2dmd n VAL 34 Cb 0.00 -0.49 -0.06 0.00 -1.47 0.00 0.00 33.84 31.82 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 -4.01 3.02 -0.02 7.34 1.02 -1.26 -4.88 119.74 120.95 2dmd s LYS 35 Ca 0.33 -1.38 -0.26 0.00 0.02 0.00 0.00 55.97 54.68 2dmd s LYS 35 Cb -0.06 -4.21 -0.20 0.00 -0.52 0.00 0.00 37.83 32.84 2dmd s LYS 35 CO 0.28 -1.29 1.25 -1.00 -0.92 0.00 0.00 175.35 173.67 2dmd h PRO 36 N 8.95 -0.02 -5.42 -1.68 0.13 -1.83 -3.41 132.00 128.71 2dmd h PRO 36 Ca -0.29 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.30 2dmd h PRO 36 Cb 1.10 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.19 2dmd h PRO 36 CO 1.00 0.45 1.63 0.66 -0.23 0.00 0.00 178.00 181.52 2dmd n TYR 37 N -4.87 1.03 -3.92 1.56 4.01 -1.23 -4.84 117.16 108.90 2dmd n TYR 37 Ca -0.08 0.32 -0.35 0.00 -0.16 0.00 0.00 57.90 57.62 2dmd n TYR 37 Cb 0.25 -2.47 -0.14 0.00 -0.31 0.00 0.00 39.34 36.67 2dmd n TYR 37 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2dmd s LYS 38 N 8.08 2.92 0.28 -0.72 -0.14 -1.26 -0.75 119.74 128.16 2dmd s LYS 38 Ca 1.19 -0.93 -0.29 0.00 -1.36 0.00 0.00 55.97 54.59 2dmd s LYS 38 Cb -0.90 -3.04 -0.13 0.00 -1.68 0.00 0.00 37.83 32.07 2dmd s LYS 38 CO 0.44 -0.39 1.22 0.00 -0.76 0.00 0.00 175.35 175.86 2dmd h LYS 40 N 2.88 -0.43 0.32 0.00 1.57 -1.98 -3.34 116.57 115.59 2dmd h LYS 40 Ca -0.44 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 2dmd h LYS 40 Cb 1.30 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.70 2dmd h LYS 40 CO 0.66 -0.29 -0.24 0.00 -0.57 0.00 0.00 179.45 179.01 2dmd h THR 41 N -0.53 0.49 -3.76 -0.16 1.03 -2.01 -3.44 112.91 104.53 2dmd h THR 41 Ca -0.05 0.00 -0.25 0.00 -0.01 0.00 0.00 66.41 66.10 2dmd h THR 41 Cb 0.34 0.49 0.07 0.00 -1.07 0.00 0.00 68.15 67.99 2dmd h THR 41 CO 0.07 0.00 0.15 0.00 -0.01 0.00 0.00 175.52 175.74 2dmd n ASP 43 N -3.22 1.27 -4.72 0.00 5.75 -1.26 -4.37 116.55 110.00 2dmd n ASP 43 Ca 0.09 -1.18 -0.34 0.00 -0.01 0.00 0.00 54.79 53.35 2dmd n ASP 43 Cb 0.33 -0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.51 2dmd n ASP 43 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2dmd s TYR 44 N -0.25 2.00 0.10 2.11 5.04 -1.26 -4.75 117.35 120.34 2dmd s TYR 44 Ca 0.02 1.61 0.09 0.00 -2.44 0.00 0.00 57.07 56.35 2dmd s TYR 44 Cb 0.02 -3.47 -0.04 0.00 0.35 0.00 0.00 41.96 38.82 2dmd s TYR 44 CO 0.02 -2.66 -0.22 0.00 -1.34 0.00 0.00 175.55 171.36 2dmd s ALA 45 N -2.03 1.90 -0.00 3.97 0.00 -1.26 -2.12 121.76 122.22 2dmd s ALA 45 Ca 0.74 -1.28 0.07 0.00 0.00 0.00 0.00 51.96 51.49 2dmd s ALA 45 Cb -0.29 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 2dmd s ALA 45 CO 0.47 0.39 -0.21 0.00 0.00 0.00 0.00 175.76 176.41 2dmd s ALA 46 N -1.13 1.74 -0.00 0.00 0.00 0.07 -4.98 121.76 117.47 2dmd s ALA 46 Ca 0.08 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 2dmd s ALA 46 Cb -0.10 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 2dmd s ALA 46 CO 0.04 0.42 0.77 0.00 0.00 0.00 0.00 175.76 176.99 2dmd h ALA 47 N 5.45 -0.72 -2.41 0.00 0.00 -1.89 -3.26 119.26 116.43 2dmd h ALA 47 Ca -0.40 -0.08 -0.53 0.00 0.00 0.00 0.00 54.91 53.91 2dmd h ALA 47 Cb 1.14 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 2dmd h ALA 47 CO 0.47 -0.69 -0.53 -0.51 0.00 0.00 0.00 179.25 177.99 2dmd s ASP 48 N -3.28 5.65 0.57 0.00 1.01 -1.26 -4.66 116.67 114.70 2dmd s ASP 48 Ca -0.05 -0.15 0.34 0.00 0.71 0.00 0.00 52.55 53.41 2dmd s ASP 48 Cb 0.01 -1.50 1.45 0.00 1.01 0.00 0.00 42.92 43.89 2dmd s ASP 48 CO 0.15 0.01 1.73 0.77 0.21 0.00 0.00 175.17 178.03 2dmd h SER 49 N 1.85 0.00 -0.12 0.27 4.64 -2.01 0.31 113.55 118.49 2dmd h SER 49 Ca -0.49 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.78 2dmd h SER 49 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2dmd h SER 49 CO 0.62 0.00 -0.13 0.77 -0.87 0.00 0.00 176.83 177.22 2dmd h SER 50 N 0.00 0.33 -0.92 4.97 4.64 -1.98 -0.76 113.55 119.83 2dmd h SER 50 Ca 0.50 -0.49 0.23 0.00 -0.47 0.00 0.00 61.79 61.55 2dmd h SER 50 Cb 2.24 -0.09 -0.12 0.00 -0.31 0.00 0.00 62.40 64.11 2dmd h SER 50 CO -0.01 0.75 0.43 0.28 -0.87 0.00 0.00 176.83 177.42 2dmd h SER 51 N -0.09 0.40 0.05 4.97 0.02 -0.75 -1.47 113.55 116.67 2dmd h SER 51 Ca 0.02 0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 61.04 2dmd h SER 51 Cb 0.67 0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.33 2dmd h SER 51 CO 0.03 0.02 -0.35 0.25 -1.14 0.00 0.00 176.83 175.64 2dmd h LEU 52 N 0.43 0.22 -1.69 5.07 5.85 -1.51 -3.21 115.31 120.48 2dmd h LEU 52 Ca 0.58 -0.93 0.33 0.00 0.84 0.00 0.00 57.88 58.70 2dmd h LEU 52 Cb 1.09 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 2dmd h LEU 52 CO -0.52 1.13 1.00 0.78 -0.34 0.00 0.00 178.44 180.49 2dmd h ASN 53 N -0.65 0.00 0.66 1.25 4.21 -0.14 1.45 115.58 122.36 2dmd h ASN 53 Ca -0.06 0.00 -0.27 0.00 1.21 0.00 0.00 56.30 57.18 2dmd h ASN 53 Cb 1.23 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.40 2dmd h ASN 53 CO 0.07 0.00 -1.39 0.50 -1.29 0.00 0.00 177.43 175.32 2dmd h LYS 54 N 0.00 0.09 0.67 0.81 3.64 -1.40 -3.36 116.57 117.02 2dmd h LYS 54 Ca 0.54 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 2dmd h LYS 54 Cb 2.54 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 34.42 2dmd h LYS 54 CO -0.01 0.91 -0.32 1.25 -2.27 0.00 0.00 179.45 179.01 2dmd h HIS 55 N 0.03 -0.83 -0.83 1.91 2.76 0.20 -3.17 115.15 115.21 2dmd h HIS 55 Ca -0.17 -0.02 0.28 0.00 -2.20 0.00 0.00 60.37 58.26 2dmd h HIS 55 Cb 1.93 0.27 -0.15 0.00 1.55 0.00 0.00 27.41 31.01 2dmd h HIS 55 CO 0.02 -0.52 0.19 1.28 -1.30 0.00 0.00 177.93 177.61 2dmd n LEU 56 N -5.34 0.06 -0.18 0.26 4.77 -0.71 0.15 117.00 116.00 2dmd n LEU 56 Ca -0.11 1.39 -0.00 0.00 -0.03 0.00 0.00 56.01 57.26 2dmd n LEU 56 Cb 0.35 -0.58 0.09 0.00 -2.33 0.00 0.00 43.42 40.95 2dmd n LEU 56 CO 0.27 -1.47 0.86 0.03 -1.33 0.00 0.00 177.39 175.75 2dmd h ARG 57 N 0.00 0.15 -1.13 3.23 3.08 -1.69 -0.33 114.38 117.69 2dmd h ARG 57 Ca 0.58 -0.01 0.43 0.00 0.07 0.00 0.00 59.98 61.06 2dmd h ARG 57 Cb 1.37 -0.03 -0.16 0.00 0.08 0.00 0.00 29.97 31.22 2dmd h ARG 57 CO -0.72 0.10 0.66 0.97 -1.07 0.00 0.00 179.97 179.91 2dmd h ILE 58 N 0.16 0.02 0.12 2.04 2.10 0.13 1.13 117.51 123.20 2dmd h ILE 58 Ca 0.29 -0.01 -0.20 0.00 1.08 0.00 0.00 64.86 66.03 2dmd h ILE 58 Cb 0.45 -0.00 0.02 0.00 -1.09 0.00 0.00 36.82 36.20 2dmd h ILE 58 CO -0.45 0.00 -0.84 0.45 -1.08 0.00 0.00 178.15 176.24 2dmd h HIS 59 N 0.02 0.62 -0.99 2.19 3.86 -1.15 -3.32 115.15 116.38 2dmd h HIS 59 Ca 0.85 -0.42 -0.67 0.00 -1.16 0.00 0.00 60.37 58.98 2dmd h HIS 59 Cb 2.42 -0.04 -0.30 0.00 1.06 0.00 0.00 27.41 30.55 2dmd h HIS 59 CO -0.01 1.30 0.79 -1.13 0.86 0.00 0.00 177.93 179.75 2dmd n SER 60 N -4.10 7.42 -2.72 2.45 3.41 0.21 -4.75 113.62 115.53 2dmd n SER 60 Ca -0.13 -3.78 -0.28 0.00 -0.26 0.00 0.00 58.87 54.41 2dmd n SER 60 Cb 0.82 -0.95 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 2dmd n SER 60 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2dmd n ASP 61 N -0.92 6.86 -2.51 4.04 5.68 0.33 -4.32 116.55 125.70 2dmd n ASP 61 Ca 0.62 -2.98 -0.08 0.00 -0.50 0.00 0.00 54.79 51.86 2dmd n ASP 61 Cb 0.72 -1.34 0.04 0.00 -1.14 0.00 0.00 41.12 39.40 2dmd n ASP 61 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2dmd n GLU 62 N 1.69 2.30 -3.88 0.11 -0.58 -1.26 -5.04 120.64 113.97 2dmd n GLU 62 Ca 0.54 -3.68 -0.26 0.00 -0.42 0.00 0.00 57.16 53.34 2dmd n GLU 62 Cb 0.52 -1.79 -0.17 0.00 -0.57 0.00 0.00 31.44 29.43 2dmd n GLU 62 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2dmd s ARG 63 N -3.64 1.37 0.04 3.49 3.00 -1.26 -4.87 118.95 117.09 2dmd s ARG 63 Ca 0.35 -0.19 -0.20 0.00 0.00 0.00 0.00 55.73 55.69 2dmd s ARG 63 Cb 0.35 -1.48 -0.14 0.00 0.00 0.00 0.00 34.95 33.68 2dmd s ARG 63 CO -0.02 -0.27 1.35 -1.00 0.00 0.00 0.00 175.30 175.36 2dmd h PRO 64 N 8.20 0.38 -6.49 3.54 0.13 -1.88 -3.44 132.00 132.44 2dmd h PRO 64 Ca -0.28 -0.20 -0.53 0.00 -0.87 0.00 0.00 66.00 64.12 2dmd h PRO 64 Cb 1.13 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 2dmd h PRO 64 CO 0.38 0.75 0.08 -0.06 -0.23 0.00 0.00 178.00 178.92 2dmd s PHE 65 N -4.32 3.71 0.04 1.56 0.08 -1.21 -5.04 117.98 112.80 2dmd s PHE 65 Ca -0.14 1.37 -0.02 0.00 0.12 0.00 0.00 56.93 58.26 2dmd s PHE 65 Cb 0.05 -2.60 -0.02 0.00 -0.57 0.00 0.00 43.02 39.88 2dmd s PHE 65 CO 0.76 0.41 0.01 0.15 -0.10 0.00 0.00 175.22 176.45 2dmd s LYS 66 N -1.73 0.51 0.16 0.44 1.02 -1.26 -2.67 119.74 116.21 2dmd s LYS 66 Ca 0.39 -0.88 -0.08 0.00 0.02 0.00 0.00 55.97 55.42 2dmd s LYS 66 Cb -0.18 0.19 -0.06 0.00 -0.52 0.00 0.00 37.83 37.26 2dmd s LYS 66 CO 0.21 -0.11 0.45 0.00 -0.92 0.00 0.00 175.35 174.98 2dmd h GLN 68 N 2.97 -0.12 -0.11 0.00 7.50 -1.98 -3.39 115.11 119.98 2dmd h GLN 68 Ca -0.47 0.01 0.02 0.00 0.50 0.00 0.00 58.65 58.71 2dmd h GLN 68 Cb 1.17 0.03 -0.04 0.00 0.05 0.00 0.00 27.48 28.69 2dmd h GLN 68 CO 0.70 -0.08 -0.29 0.82 -1.50 0.00 0.00 178.83 178.47 2dmd h ILE 69 N -0.68 0.00 -2.81 2.54 2.04 -2.00 -3.42 117.51 113.18 2dmd h ILE 69 Ca -0.01 0.00 -0.59 0.00 1.00 0.00 0.00 64.86 65.26 2dmd h ILE 69 Cb 0.10 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.12 2dmd h ILE 69 CO 0.02 0.00 -0.53 0.00 0.00 0.00 0.00 178.15 177.64 2dmd n PRO 71 N -0.08 0.49 -0.89 0.00 -0.04 -1.26 -3.97 135.00 129.24 2dmd n PRO 71 Ca -0.07 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.04 2dmd n PRO 71 Cb 0.53 -1.35 0.08 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.85 -3.16 -3.71 0.54 9.36 -1.26 -4.72 117.16 113.36 2dmd n TYR 72 Ca 0.08 0.13 -0.14 0.00 3.32 0.00 0.00 57.90 61.29 2dmd n TYR 72 Cb 0.04 -1.59 -0.09 0.00 -0.63 0.00 0.00 39.34 37.07 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 -2.18 -1.07 0.06 2.98 0.00 -1.26 -2.46 121.76 117.83 2dmd s ALA 73 Ca 0.48 0.90 -0.04 0.00 0.00 0.00 0.00 51.96 53.30 2dmd s ALA 73 Cb -0.17 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 2dmd s ALA 73 CO 0.74 -0.25 0.05 -1.54 0.00 0.00 0.00 175.76 174.76 2dmd s SER 74 N -0.58 0.35 -0.19 0.00 1.04 -1.09 -5.03 113.70 108.20 2dmd s SER 74 Ca -0.07 -0.87 -0.18 0.00 0.48 0.00 0.00 55.95 55.31 2dmd s SER 74 Cb -0.03 0.25 -0.15 0.00 0.10 0.00 0.00 66.02 66.18 2dmd s SER 74 CO 0.03 -0.64 0.11 0.03 0.98 0.00 0.00 173.24 173.75 2dmd h ARG 75 N 3.04 0.00 -7.47 4.02 3.08 -1.89 -3.20 114.38 111.96 2dmd h ARG 75 Ca -0.34 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.26 2dmd h ARG 75 Cb 1.16 0.00 0.15 0.00 0.08 0.00 0.00 29.97 31.36 2dmd h ARG 75 CO 0.62 0.75 0.25 1.21 -1.07 0.00 0.00 179.97 181.73 2dmd s ASN 76 N -6.58 2.75 -0.18 7.04 3.84 -1.26 -4.72 114.94 115.84 2dmd s ASN 76 Ca -0.25 0.89 -0.13 0.00 0.21 0.00 0.00 52.86 53.57 2dmd s ASN 76 Cb 0.05 -1.38 -0.22 0.00 -0.55 0.00 0.00 41.25 39.16 2dmd s ASN 76 CO 0.49 -3.02 0.21 -1.20 -2.79 0.00 0.00 177.10 170.80 2dmd n SER 77 N -4.06 1.99 0.29 -4.21 7.64 -1.26 -4.26 113.62 109.76 2dmd n SER 77 Ca 0.08 0.29 -0.17 0.00 1.01 0.00 0.00 58.87 60.09 2dmd n SER 77 Cb 0.59 -0.88 -0.08 0.00 -1.01 0.00 0.00 64.21 62.83 2dmd n SER 77 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dmd h SER 78 N -0.47 -0.77 -0.88 6.43 0.87 -2.00 -2.72 113.55 114.01 2dmd h SER 78 Ca -0.42 0.04 0.22 0.00 -1.23 0.00 0.00 61.79 60.41 2dmd h SER 78 Cb 1.68 0.23 -0.16 0.00 -0.44 0.00 0.00 62.40 63.70 2dmd h SER 78 CO -0.09 -0.49 -0.05 0.00 -0.53 0.00 0.00 176.83 175.68 2dmd n GLN 79 N -5.44 -0.07 -0.21 2.24 6.02 -1.26 0.17 117.38 118.82 2dmd n GLN 79 Ca -0.12 1.33 -0.07 0.00 -0.01 0.00 0.00 57.00 58.14 2dmd n GLN 79 Cb 0.34 -2.08 0.03 0.00 1.02 0.00 0.00 30.24 29.55 2dmd n GLN 79 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2dmd h LEU 80 N 0.00 0.76 0.05 1.08 5.85 -1.67 -1.42 115.31 119.97 2dmd h LEU 80 Ca 0.50 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 59.13 2dmd h LEU 80 Cb 0.98 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 2dmd h LEU 80 CO -0.85 0.66 -0.26 0.74 -0.34 0.00 0.00 178.44 178.40 2dmd h THR 81 N 0.81 0.42 -0.89 1.05 2.02 0.19 -1.27 112.91 115.24 2dmd h THR 81 Ca 0.21 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 2dmd h THR 81 Cb 0.09 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 2dmd h THR 81 CO -0.03 0.00 0.53 0.58 0.37 0.00 0.00 175.52 176.97 2dmd h VAL 82 N -0.43 1.25 0.27 3.16 2.07 -1.23 -2.99 116.25 118.36 2dmd h VAL 82 Ca 0.05 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2dmd h VAL 82 Cb 0.48 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 2dmd h VAL 82 CO -0.19 0.26 -0.32 -0.74 0.02 0.00 0.00 177.57 176.60 2dmd h HIS 83 N 1.22 -0.86 -0.91 1.57 6.17 -0.64 -2.22 115.15 119.48 2dmd h HIS 83 Ca 0.32 0.01 0.34 0.00 0.71 0.00 0.00 60.37 61.75 2dmd h HIS 83 Cb -0.04 0.34 -0.17 0.00 2.52 0.00 0.00 27.41 30.07 2dmd h HIS 83 CO 0.01 -0.45 0.35 1.28 0.71 0.00 0.00 177.93 179.83 2dmd n LEU 84 N -5.43 0.19 -0.32 0.26 4.77 -0.54 0.69 117.00 116.63 2dmd n LEU 84 Ca -0.09 1.52 0.12 0.00 -0.03 0.00 0.00 56.01 57.54 2dmd n LEU 84 Cb 0.33 -0.68 0.26 0.00 -2.33 0.00 0.00 43.42 41.00 2dmd n LEU 84 CO 0.27 -1.65 0.83 0.03 -1.33 0.00 0.00 177.39 175.54 2dmd h ARG 85 N 0.00 0.06 -0.96 3.23 3.08 -1.45 0.25 114.38 118.57 2dmd h ARG 85 Ca 0.71 -0.00 0.24 0.00 0.07 0.00 0.00 59.98 60.99 2dmd h ARG 85 Cb 1.77 -0.01 -0.18 0.00 0.08 0.00 0.00 29.97 31.63 2dmd h ARG 85 CO -0.75 0.04 -0.06 1.03 -1.07 0.00 0.00 179.97 179.16 2dmd h SER 86 N 0.06 -0.60 -0.29 7.04 0.87 0.12 -3.18 113.55 117.56 2dmd h SER 86 Ca 0.55 0.28 -0.24 0.00 -1.23 0.00 0.00 61.79 61.15 2dmd h SER 86 Cb 1.11 0.51 -0.02 0.00 -0.44 0.00 0.00 62.40 63.57 2dmd h SER 86 CO -0.83 -0.33 0.78 1.41 -0.53 0.00 0.00 176.83 177.33 2dmd n HIS 87 N -5.52 1.99 -4.10 2.24 8.25 0.86 -4.85 115.22 114.10 2dmd n HIS 87 Ca 0.20 -1.01 -0.15 0.00 -0.26 0.00 0.00 57.72 56.50 2dmd n HIS 87 Cb 0.65 -2.52 -0.14 0.00 1.12 0.00 0.00 29.99 29.10 2dmd n HIS 87 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2dmd s THR 88 N 12.85 0.37 0.00 1.59 -1.32 -1.21 -5.08 115.64 122.85 2dmd s THR 88 Ca 0.72 -0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.82 2dmd s THR 88 Cb -0.01 -0.35 0.00 0.00 -1.51 0.00 0.00 72.50 70.63 2dmd s THR 88 CO 0.16 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.16 2dmd n GLY 89 N 2.63 2.59 0.20 6.08 0.00 -1.26 -5.00 105.19 110.43 2dmd n GLY 89 Ca -0.15 -0.61 -0.03 0.00 0.00 0.00 0.00 46.02 45.23 2dmd n GLY 89 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2dmd h ASP 90 N 0.00 0.14 -5.65 1.61 1.82 -2.02 -3.46 116.42 108.86 2dmd h ASP 90 Ca 0.00 0.07 -0.37 0.00 -0.39 0.00 0.00 57.03 56.34 2dmd h ASP 90 Cb 0.00 0.06 0.14 0.00 0.68 0.00 0.00 39.33 40.21 2dmd h ASP 90 CO 0.00 0.11 -0.68 -1.20 -1.61 0.00 0.00 179.24 175.85 2dmd n SER 91 N -5.03 -5.12 -4.90 2.28 7.64 -1.26 -4.99 113.62 102.24 2dmd n SER 91 Ca 0.05 -0.54 -0.33 0.00 1.01 0.00 0.00 58.87 59.06 2dmd n SER 91 Cb 0.21 -4.91 -0.05 0.00 -1.01 0.00 0.00 64.21 58.45 2dmd n SER 91 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dmd s GLY 92 N -3.58 2.24 -0.89 0.23 0.00 -1.26 -5.01 107.32 99.04 2dmd s GLY 92 Ca 0.42 -0.62 -0.25 0.00 0.00 0.00 0.00 44.72 44.27 2dmd s GLY 92 CO 0.71 -0.51 1.94 2.56 0.00 0.00 0.00 173.10 177.80 2dmd s PRO 93 N -2.29 2.56 -1.09 2.90 0.04 -1.26 -3.38 135.00 132.48 2dmd s PRO 93 Ca 0.35 -0.26 -0.06 0.00 0.04 0.00 0.00 61.00 61.06 2dmd s PRO 93 Cb -0.13 -5.04 0.01 0.00 0.04 0.00 0.00 34.50 29.38 2dmd s PRO 93 CO 0.22 -3.36 0.95 0.45 0.04 0.00 0.00 177.00 175.30 2dmd n SER 94 N 13.94 -5.08 -4.89 6.66 2.88 -1.26 -5.00 113.62 120.87 2dmd n SER 94 Ca 0.40 -0.45 -0.31 0.00 -1.33 0.00 0.00 58.87 57.17 2dmd n SER 94 Cb 0.47 -4.23 -0.05 0.00 -0.75 0.00 0.00 64.21 59.65 2dmd n SER 94 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dmd s SER 95 N -3.39 6.53 0.00 -3.46 1.04 -1.22 -5.26 113.70 107.95 2dmd s SER 95 Ca 0.41 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.57 2dmd s SER 95 Cb -0.18 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 63.79 2dmd s SER 95 CO 0.60 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.40