#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 -0.25 -0.29 1.61 0.01 -1.26 -5.18 113.70 108.34 2dmd s SER 2 Ca 0.00 -0.51 -0.24 0.00 1.31 0.00 0.00 55.95 56.51 2dmd s SER 2 Cb 0.00 0.59 0.17 0.00 0.21 0.00 0.00 66.02 66.99 2dmd s SER 2 CO 0.00 -1.07 1.29 -0.55 0.41 0.00 0.00 173.24 173.31 2dmd s SER 3 N -2.88 -0.20 0.00 2.44 0.15 -1.26 -5.17 113.70 106.78 2dmd s SER 3 Ca 0.10 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.12 2dmd s SER 3 Cb -0.01 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2dmd s SER 3 CO -0.02 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2dmd n GLY 4 N 1.93 3.37 3.58 9.45 0.00 -1.26 -5.19 105.19 117.08 2dmd n GLY 4 Ca -0.12 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.35 0.02 1.61 0.01 -1.26 -5.19 113.70 108.54 2dmd s SER 5 Ca 0.00 0.37 -0.29 0.00 1.31 0.00 0.00 55.95 57.34 2dmd s SER 5 Cb 0.00 0.29 0.10 0.00 0.21 0.00 0.00 66.02 66.62 2dmd s SER 5 CO 0.00 -0.33 1.11 -0.55 0.41 0.00 0.00 173.24 173.88 2dmd s SER 6 N -1.14 -0.15 0.00 2.44 0.15 -1.26 -5.15 113.70 108.59 2dmd s SER 6 Ca -0.01 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2dmd s SER 6 Cb -0.00 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 2dmd s SER 6 CO 0.01 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.52 2dmd n GLY 7 N -0.39 0.16 1.89 9.45 0.00 -1.26 -5.18 105.19 109.87 2dmd n GLY 7 Ca -0.06 0.39 -0.16 0.00 0.00 0.00 0.00 46.02 46.19 2dmd n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmd n PRO 8 N 0.00 -2.18 -3.91 1.61 -0.04 -1.26 -5.04 135.00 124.19 2dmd n PRO 8 Ca 0.00 -0.94 -0.30 0.00 -0.04 0.00 0.00 63.50 62.21 2dmd n PRO 8 Cb 0.00 -0.88 -0.15 0.00 -0.04 0.00 0.00 33.50 32.43 2dmd n PRO 8 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2dmd s HIS 9 N -2.07 2.99 -0.23 0.54 3.76 -1.26 -5.09 115.29 113.94 2dmd s HIS 9 Ca 0.38 -2.69 -0.06 0.00 -0.15 0.00 0.00 55.06 52.55 2dmd s HIS 9 Cb -0.04 -2.52 -0.02 0.00 1.11 0.00 0.00 32.58 31.11 2dmd s HIS 9 CO 0.29 -0.88 0.01 0.21 -0.85 0.00 0.00 174.74 173.53 2dmd s LYS 10 N 0.77 3.53 0.73 1.40 2.20 -1.26 -4.04 119.74 123.07 2dmd s LYS 10 Ca 0.13 -0.55 -0.16 0.00 -0.36 0.00 0.00 55.97 55.03 2dmd s LYS 10 Cb -0.21 -3.17 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 2dmd s LYS 10 CO -0.09 -0.18 0.57 0.00 -0.36 0.00 0.00 175.35 175.28 2dmd n GLU 12 N -0.89 1.50 0.01 0.00 0.28 -1.26 -3.90 120.64 116.37 2dmd n GLU 12 Ca 0.10 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.96 2dmd n GLU 12 Cb 0.50 -0.87 -0.03 0.00 1.43 0.00 0.00 31.44 32.48 2dmd n GLU 12 CO 0.00 0.00 0.00 -0.39 -0.16 0.00 0.00 177.13 176.58 2dmd h VAL 13 N 0.00 1.32 0.00 3.84 -1.51 -2.00 -3.40 116.25 114.51 2dmd h VAL 13 Ca 0.00 -2.06 -0.00 0.00 -1.23 0.00 0.00 66.70 63.40 2dmd h VAL 13 Cb 0.00 2.05 -0.00 0.00 -2.13 0.00 0.00 31.29 31.21 2dmd h VAL 13 CO 0.00 0.64 -1.01 0.00 -1.23 0.00 0.00 177.57 175.97 2dmd n GLY 15 N 3.47 0.92 3.74 0.00 0.00 -1.25 -5.10 105.19 106.97 2dmd n GLY 15 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 0.16 4.12 0.30 1.61 2.47 -1.26 -4.92 119.74 122.22 2dmd s LYS 16 Ca 0.00 -0.22 -0.22 0.00 -1.56 0.00 0.00 55.97 53.97 2dmd s LYS 16 Cb 0.00 -3.39 -0.09 0.00 -1.46 0.00 0.00 37.83 32.88 2dmd s LYS 16 CO 0.00 0.34 0.85 0.00 0.16 0.00 0.00 175.35 176.70 2dmd s PHE 18 N -1.69 -0.15 -0.20 0.00 0.08 -1.26 -5.01 117.98 109.76 2dmd s PHE 18 Ca 0.49 0.35 -0.05 0.00 0.12 0.00 0.00 56.93 57.84 2dmd s PHE 18 Cb -0.16 0.04 -0.21 0.00 -0.57 0.00 0.00 43.02 42.13 2dmd s PHE 18 CO 0.21 -0.14 0.05 0.45 -0.10 0.00 0.00 175.22 175.69 2dmd n SER 19 N 2.63 2.03 -4.91 1.36 2.88 -1.26 -4.50 113.62 111.85 2dmd n SER 19 Ca -0.15 0.10 -0.27 0.00 -1.33 0.00 0.00 58.87 57.22 2dmd n SER 19 Cb 0.58 -0.69 -0.02 0.00 -0.75 0.00 0.00 64.21 63.33 2dmd n SER 19 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2dmd s ARG 20 N -2.52 3.60 0.03 -1.46 3.00 -1.26 -4.94 118.95 115.40 2dmd s ARG 20 Ca -0.29 0.04 -0.14 0.00 0.00 0.00 0.00 55.73 55.33 2dmd s ARG 20 Cb 0.08 -2.55 -0.35 0.00 0.00 0.00 0.00 34.95 32.13 2dmd s ARG 20 CO 0.66 0.07 0.98 -0.22 0.00 0.00 0.00 175.30 176.79 2dmd h LYS 21 N 1.08 0.50 -0.11 3.54 3.64 -1.98 -3.35 116.57 119.90 2dmd h LYS 21 Ca -0.48 -0.86 0.02 0.00 -1.27 0.00 0.00 60.65 58.07 2dmd h LYS 21 Cb 1.20 0.32 -0.02 0.00 -0.41 0.00 0.00 32.23 33.32 2dmd h LYS 21 CO 0.64 1.41 -0.02 -0.44 -2.27 0.00 0.00 179.45 178.76 2dmd h ASP 22 N 0.14 -0.09 -0.89 4.20 5.19 -2.00 -2.69 116.42 120.28 2dmd h ASP 22 Ca -0.25 0.03 0.12 0.00 -0.62 0.00 0.00 57.03 56.31 2dmd h ASP 22 Cb 2.15 0.06 -0.14 0.00 0.18 0.00 0.00 39.33 41.58 2dmd h ASP 22 CO 0.26 -0.03 -0.45 0.11 -3.12 0.00 0.00 179.24 176.01 2dmd h LYS 23 N 0.01 -0.05 -0.87 3.56 1.79 -1.99 0.47 116.57 119.48 2dmd h LYS 23 Ca 0.05 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.60 2dmd h LYS 23 Cb 0.08 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.67 2dmd h LYS 23 CO -0.11 -0.04 0.53 1.25 -1.08 0.00 0.00 179.45 180.01 2dmd h LEU 24 N -0.06 0.82 -0.41 2.94 5.85 -1.65 -1.47 115.31 121.34 2dmd h LEU 24 Ca 0.26 0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.04 2dmd h LEU 24 Cb 0.54 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 2dmd h LEU 24 CO -0.90 0.51 -0.27 0.50 -0.34 0.00 0.00 178.44 177.95 2dmd h LYS 25 N 0.95 -0.03 -0.45 1.25 3.64 0.26 -1.26 116.57 120.94 2dmd h LYS 25 Ca 0.39 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.71 2dmd h LYS 25 Cb 0.22 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2dmd h LYS 25 CO -0.19 -0.02 0.04 1.15 -2.27 0.00 0.00 179.45 178.16 2dmd h THR 26 N -0.03 1.25 -1.61 1.00 2.02 -1.38 -2.86 112.91 111.30 2dmd h THR 26 Ca 0.07 -0.96 0.47 0.00 0.77 0.00 0.00 66.41 66.75 2dmd h THR 26 Cb 0.20 1.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.55 2dmd h THR 26 CO -0.40 0.33 1.26 1.57 0.37 0.00 0.00 175.52 178.65 2dmd n HIS 27 N -4.43 0.00 -0.00 3.16 -0.00 -0.52 0.22 115.22 113.65 2dmd n HIS 27 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.55 2dmd n HIS 27 Cb 0.27 -0.40 -0.11 0.00 -0.00 0.00 0.00 29.99 29.75 2dmd n HIS 27 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 2dmd h MET 28 N 0.00 0.39 -1.13 1.57 2.86 -1.20 -3.26 114.93 114.16 2dmd h MET 28 Ca 0.76 -0.41 0.43 0.00 -2.06 0.00 0.00 59.70 58.42 2dmd h MET 28 Cb 3.27 0.11 -0.16 0.00 0.06 0.00 0.00 31.60 34.88 2dmd h MET 28 CO -0.01 1.07 0.66 0.00 1.06 0.00 0.00 176.91 179.70 2dmd h ARG 29 N -0.13 0.04 0.48 1.72 3.08 0.26 0.49 114.38 120.32 2dmd h ARG 29 Ca -0.07 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2dmd h ARG 29 Cb 1.26 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2dmd h ARG 29 CO 0.11 0.03 -0.23 0.00 -1.07 0.00 0.00 179.97 178.80 2dmd n HIS 31 N -5.21 -0.17 -3.98 0.00 8.25 0.10 -4.64 115.22 109.58 2dmd n HIS 31 Ca -0.08 1.16 -0.08 0.00 -0.26 0.00 0.00 57.72 58.46 2dmd n HIS 31 Cb 0.26 -0.73 -0.09 0.00 1.12 0.00 0.00 29.99 30.55 2dmd n HIS 31 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2dmd s THR 32 N -5.70 0.16 0.09 1.59 2.01 -0.82 -5.11 115.64 107.87 2dmd s THR 32 Ca -0.12 -1.32 0.00 0.00 0.31 0.00 0.00 61.69 60.55 2dmd s THR 32 Cb 0.15 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.57 2dmd s THR 32 CO 0.63 -0.73 0.00 0.61 -0.69 0.00 0.00 174.62 174.44 2dmd n GLY 33 N 0.53 -3.31 3.24 4.40 0.00 -1.26 -4.24 105.19 104.55 2dmd n GLY 33 Ca -0.17 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 2dmd n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dmd s VAL 34 N -2.17 0.08 -0.51 1.61 -7.23 -1.26 -4.51 120.40 106.41 2dmd s VAL 34 Ca 0.00 -1.66 -0.09 0.00 -1.81 0.00 0.00 61.98 58.41 2dmd s VAL 34 Cb 0.00 -1.96 -0.15 0.00 0.56 0.00 0.00 36.38 34.83 2dmd s VAL 34 CO 0.00 -0.38 1.23 0.29 -0.31 0.00 0.00 175.10 175.93 2dmd n LYS 35 N -0.16 0.00 0.00 4.82 5.02 -1.26 -4.74 118.16 121.84 2dmd n LYS 35 Ca -0.06 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.10 2dmd n LYS 35 Cb 0.63 -0.62 -0.10 0.00 -0.02 0.00 0.00 35.03 34.92 2dmd n LYS 35 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2dmd h PRO 36 N 5.88 -0.04 -6.28 1.97 0.13 -1.81 -3.42 132.00 128.43 2dmd h PRO 36 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.59 2dmd h PRO 36 Cb 0.62 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 2dmd h PRO 36 CO 0.78 0.44 1.08 0.71 -0.23 0.00 0.00 178.00 180.79 2dmd s TYR 37 N -4.21 1.99 0.06 1.56 2.02 -1.21 -4.93 117.35 112.64 2dmd s TYR 37 Ca -0.16 0.19 0.06 0.00 -0.37 0.00 0.00 57.07 56.79 2dmd s TYR 37 Cb 0.02 -3.93 -0.03 0.00 -0.40 0.00 0.00 41.96 37.62 2dmd s TYR 37 CO 0.65 -3.89 -0.16 0.15 -1.57 0.00 0.00 175.55 170.74 2dmd s LYS 38 N 3.94 0.95 0.73 -0.62 1.02 -1.26 -0.61 119.74 123.89 2dmd s LYS 38 Ca 0.74 -0.93 -0.12 0.00 0.02 0.00 0.00 55.97 55.68 2dmd s LYS 38 Cb -0.34 -1.01 0.04 0.00 -0.52 0.00 0.00 37.83 36.00 2dmd s LYS 38 CO 0.30 0.24 1.11 0.00 -0.92 0.00 0.00 175.35 176.07 2dmd h LYS 40 N -0.69 0.00 0.21 0.00 1.57 -2.01 -3.41 116.57 112.24 2dmd h LYS 40 Ca -0.45 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 2dmd h LYS 40 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2dmd h LYS 40 CO 0.52 0.92 -0.10 1.15 -0.57 0.00 0.00 179.45 181.37 2dmd h THR 41 N -1.00 0.70 -3.01 -0.16 2.02 -2.00 -3.46 112.91 106.00 2dmd h THR 41 Ca -0.24 -1.00 -0.46 0.00 0.77 0.00 0.00 66.41 65.48 2dmd h THR 41 Cb 1.16 1.15 0.09 0.00 -1.74 0.00 0.00 68.15 68.82 2dmd h THR 41 CO -0.15 0.17 0.17 0.00 0.37 0.00 0.00 175.52 176.09 2dmd n ASP 43 N -2.94 5.01 -4.77 0.00 5.75 -1.26 -4.35 116.55 113.99 2dmd n ASP 43 Ca 0.12 -2.99 -0.33 0.00 -0.01 0.00 0.00 54.79 51.58 2dmd n ASP 43 Cb 0.60 -0.64 0.04 0.00 -1.03 0.00 0.00 41.12 40.10 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 -2.81 2.64 -0.02 2.11 5.04 -1.26 -4.89 117.35 118.16 2dmd s TYR 44 Ca 0.50 1.55 0.03 0.00 -2.44 0.00 0.00 57.07 56.71 2dmd s TYR 44 Cb 0.39 -3.17 -0.00 0.00 0.35 0.00 0.00 41.96 39.53 2dmd s TYR 44 CO 0.13 -1.66 -0.10 0.00 -1.34 0.00 0.00 175.55 172.58 2dmd s ALA 45 N -2.30 0.85 0.05 3.97 0.00 -1.26 -2.27 121.76 120.80 2dmd s ALA 45 Ca 0.67 -0.38 0.09 0.00 0.00 0.00 0.00 51.96 52.34 2dmd s ALA 45 Cb -0.21 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2dmd s ALA 45 CO 0.40 0.17 -0.25 0.00 0.00 0.00 0.00 175.76 176.09 2dmd s ALA 46 N -0.02 2.11 -0.03 0.00 0.00 0.22 -5.00 121.76 119.04 2dmd s ALA 46 Ca 0.00 -1.23 -0.21 0.00 0.00 0.00 0.00 51.96 50.52 2dmd s ALA 46 Cb -0.06 -0.42 -0.29 0.00 0.00 0.00 0.00 23.12 22.35 2dmd s ALA 46 CO 0.00 0.49 0.97 0.00 0.00 0.00 0.00 175.76 177.22 2dmd h ALA 47 N 4.71 -0.03 -2.19 0.00 0.00 -1.90 -3.21 119.26 116.63 2dmd h ALA 47 Ca -0.46 -0.65 -0.46 0.00 0.00 0.00 0.00 54.91 53.34 2dmd h ALA 47 Cb 1.15 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2dmd h ALA 47 CO 0.43 0.36 -0.36 -0.51 0.00 0.00 0.00 179.25 179.17 2dmd s ASP 48 N -6.88 6.30 -0.02 0.00 1.11 -1.26 -4.61 116.67 111.31 2dmd s ASP 48 Ca -0.13 0.17 -0.24 0.00 0.18 0.00 0.00 52.55 52.52 2dmd s ASP 48 Cb 0.02 -1.89 -0.20 0.00 1.07 0.00 0.00 42.92 41.93 2dmd s ASP 48 CO 0.83 -0.15 1.21 0.77 1.18 0.00 0.00 175.17 179.01 2dmd h SER 49 N 1.04 0.14 -0.00 0.27 4.64 -1.98 -3.04 113.55 114.61 2dmd h SER 49 Ca -0.51 -0.57 0.00 0.00 -0.47 0.00 0.00 61.79 60.24 2dmd h SER 49 Cb 1.23 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2dmd h SER 49 CO 0.61 0.69 0.01 0.77 -0.87 0.00 0.00 176.83 178.04 2dmd h SER 50 N -0.40 0.00 -0.21 4.97 4.64 -2.00 -1.99 113.55 118.56 2dmd h SER 50 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2dmd h SER 50 Cb 0.66 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 2dmd h SER 50 CO 0.02 0.00 -0.03 0.28 -0.87 0.00 0.00 176.83 176.23 2dmd h SER 51 N 0.00 0.39 -0.31 4.97 0.02 -1.94 -2.99 113.55 113.68 2dmd h SER 51 Ca 0.00 -0.35 -0.12 0.00 -0.84 0.00 0.00 61.79 60.49 2dmd h SER 51 Cb 0.02 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2dmd h SER 51 CO -0.00 0.65 -0.22 0.25 -1.14 0.00 0.00 176.83 176.36 2dmd h LEU 52 N 0.13 0.81 -1.32 5.07 5.85 -1.41 -2.89 115.31 121.54 2dmd h LEU 52 Ca 0.05 -0.29 0.14 0.00 0.84 0.00 0.00 57.88 58.62 2dmd h LEU 52 Cb 0.47 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 2dmd h LEU 52 CO 0.02 1.01 0.56 0.78 -0.34 0.00 0.00 178.44 180.46 2dmd h ASN 53 N 0.69 0.63 -0.21 1.25 4.21 -1.43 -1.47 115.58 119.25 2dmd h ASN 53 Ca 0.09 0.03 -0.07 0.00 1.21 0.00 0.00 56.30 57.57 2dmd h ASN 53 Cb 0.74 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.85 2dmd h ASN 53 CO 0.06 0.33 -0.12 0.50 -1.29 0.00 0.00 177.43 176.91 2dmd h LYS 54 N 0.67 0.46 -0.73 0.81 3.11 -1.37 -3.16 116.57 116.37 2dmd h LYS 54 Ca 0.43 -0.21 0.16 0.00 -2.81 0.00 0.00 60.65 58.22 2dmd h LYS 54 Cb 0.69 -0.01 -0.11 0.00 -1.00 0.00 0.00 32.23 31.80 2dmd h LYS 54 CO -0.19 0.75 0.16 1.25 -2.81 0.00 0.00 179.45 178.62 2dmd h HIS 55 N 0.16 0.25 -0.26 1.91 2.76 -1.20 0.35 115.15 119.12 2dmd h HIS 55 Ca 0.05 0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.33 2dmd h HIS 55 Cb 0.62 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 2dmd h HIS 55 CO 0.07 -0.09 0.77 -0.07 -1.30 0.00 0.00 177.93 177.31 2dmd h LEU 56 N 0.26 0.00 0.44 0.26 3.38 -1.45 0.66 115.31 118.85 2dmd h LEU 56 Ca 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 2dmd h LEU 56 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2dmd h LEU 56 CO -0.51 0.00 -0.21 0.03 0.09 0.00 0.00 178.44 177.84 2dmd h ARG 57 N 0.00 -0.57 -0.82 1.13 3.08 -0.45 -3.19 114.38 113.56 2dmd h ARG 57 Ca 0.12 0.04 0.31 0.00 0.07 0.00 0.00 59.98 60.52 2dmd h ARG 57 Cb 1.66 0.13 -0.15 0.00 0.08 0.00 0.00 29.97 31.69 2dmd h ARG 57 CO -0.00 -0.28 0.34 0.44 -1.07 0.00 0.00 179.97 179.40 2dmd n ILE 58 N -5.19 -0.34 -0.36 2.04 -5.35 0.22 -3.76 119.36 106.62 2dmd n ILE 58 Ca -0.09 1.69 -0.20 0.00 -0.27 0.00 0.00 62.75 63.89 2dmd n ILE 58 Cb 0.29 -2.68 0.18 0.00 -1.74 0.00 0.00 39.64 35.69 2dmd n ILE 58 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2dmd n HIS 59 N -4.93 -3.30 -1.84 4.28 8.25 -1.21 -3.33 115.22 113.15 2dmd n HIS 59 Ca 0.28 -0.56 -0.01 0.00 -0.26 0.00 0.00 57.72 57.16 2dmd n HIS 59 Cb 0.95 -0.79 -0.00 0.00 1.12 0.00 0.00 29.99 31.27 2dmd n HIS 59 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2dmd n SER 60 N -4.65 -0.90 -3.75 0.41 3.41 -1.26 -1.42 113.62 105.45 2dmd n SER 60 Ca 0.09 0.27 -0.29 0.00 -0.26 0.00 0.00 58.87 58.69 2dmd n SER 60 Cb 0.39 -1.05 -0.06 0.00 -0.26 0.00 0.00 64.21 63.22 2dmd n SER 60 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2dmd n ASP 61 N -0.47 -0.75 -3.61 4.04 9.92 -1.21 -4.68 116.55 119.79 2dmd n ASP 61 Ca -0.02 -0.92 -0.38 0.00 -0.53 0.00 0.00 54.79 52.95 2dmd n ASP 61 Cb 0.30 -1.16 -0.02 0.00 -0.64 0.00 0.00 41.12 39.60 2dmd n ASP 61 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2dmd n GLU 62 N -3.24 0.00 -3.57 -1.24 0.00 -0.51 -2.02 120.64 110.05 2dmd n GLU 62 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.94 2dmd n GLU 62 Cb 0.38 -0.83 0.05 0.00 0.00 0.00 0.00 31.44 31.04 2dmd n GLU 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2dmd n ARG 63 N 0.93 -4.17 0.24 3.44 1.74 -1.26 -4.87 116.66 112.70 2dmd n ARG 63 Ca 0.13 0.68 0.16 0.00 -0.77 0.00 0.00 57.85 58.04 2dmd n ARG 63 Cb 0.25 -5.25 0.65 0.00 -1.02 0.00 0.00 32.46 27.09 2dmd n ARG 63 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2dmd h PRO 64 N -1.74 0.00 -6.39 5.56 0.13 -1.51 -3.43 132.00 124.62 2dmd h PRO 64 Ca -0.62 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 63.97 2dmd h PRO 64 Cb 1.35 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.44 2dmd h PRO 64 CO 0.52 0.00 0.09 -0.06 -0.23 0.00 0.00 178.00 178.31 2dmd s PHE 65 N -3.58 3.86 0.00 1.56 0.08 -1.19 -5.04 117.98 113.67 2dmd s PHE 65 Ca 0.02 1.47 -0.03 0.00 0.12 0.00 0.00 56.93 58.51 2dmd s PHE 65 Cb 0.09 -2.65 -0.01 0.00 -0.57 0.00 0.00 43.02 39.89 2dmd s PHE 65 CO 0.49 0.54 0.06 0.15 -0.10 0.00 0.00 175.22 176.37 2dmd s LYS 66 N -1.11 0.33 0.05 0.44 1.02 -1.26 -2.96 119.74 116.25 2dmd s LYS 66 Ca 0.33 -0.38 -0.01 0.00 0.02 0.00 0.00 55.97 55.93 2dmd s LYS 66 Cb -0.22 0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.19 2dmd s LYS 66 CO 0.23 -0.07 0.22 0.00 -0.92 0.00 0.00 175.35 174.82 2dmd h GLN 68 N 3.22 0.00 -0.94 0.00 1.08 -1.98 -3.37 115.11 113.12 2dmd h GLN 68 Ca -0.46 0.00 0.28 0.00 -1.45 0.00 0.00 58.65 57.02 2dmd h GLN 68 Cb 1.17 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.44 2dmd h GLN 68 CO 0.74 0.00 0.31 0.82 -0.95 0.00 0.00 178.83 179.75 2dmd h ILE 69 N -0.54 0.23 -3.70 2.54 2.04 -2.00 -3.40 117.51 112.68 2dmd h ILE 69 Ca 0.00 -0.06 -0.41 0.00 1.00 0.00 0.00 64.86 65.39 2dmd h ILE 69 Cb 0.06 0.03 -0.19 0.00 -0.74 0.00 0.00 36.82 35.98 2dmd h ILE 69 CO 0.00 0.03 -0.76 0.00 0.00 0.00 0.00 178.15 177.42 2dmd n PRO 71 N 0.74 0.49 -1.37 0.00 -0.04 -1.26 -3.82 135.00 129.74 2dmd n PRO 71 Ca -0.17 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.92 2dmd n PRO 71 Cb 0.56 -1.15 0.05 0.00 -0.04 0.00 0.00 33.50 32.93 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 -0.65 -0.85 -3.74 0.54 9.36 -1.26 -4.73 117.16 115.83 2dmd n TYR 72 Ca 0.03 0.39 -0.13 0.00 3.32 0.00 0.00 57.90 61.52 2dmd n TYR 72 Cb 0.02 -1.92 -0.10 0.00 -0.63 0.00 0.00 39.34 36.70 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 -1.81 -0.93 0.16 2.98 0.00 -1.26 -1.94 121.76 118.96 2dmd s ALA 73 Ca 0.67 1.09 0.01 0.00 0.00 0.00 0.00 51.96 53.72 2dmd s ALA 73 Cb -0.40 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 2dmd s ALA 73 CO 0.56 -0.18 0.03 0.45 0.00 0.00 0.00 175.76 176.62 2dmd s SER 74 N 0.31 0.84 -0.26 0.00 0.15 -1.16 -5.04 113.70 108.55 2dmd s SER 74 Ca -0.01 -1.20 0.13 0.00 0.70 0.00 0.00 55.95 55.57 2dmd s SER 74 Cb -0.03 0.19 0.68 0.00 -1.71 0.00 0.00 66.02 65.16 2dmd s SER 74 CO -0.01 -0.64 1.65 -2.11 1.20 0.00 0.00 173.24 173.33 2dmd n ARG 75 N -0.19 3.64 -3.92 5.44 1.85 -1.26 -3.19 116.66 119.02 2dmd n ARG 75 Ca -0.06 -3.05 -0.09 0.00 -1.00 0.00 0.00 57.85 53.65 2dmd n ARG 75 Cb 0.64 -2.09 -0.09 0.00 -1.05 0.00 0.00 32.46 29.87 2dmd n ARG 75 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 2dmd s ASN 76 N -1.38 0.18 -0.08 2.89 2.47 -1.26 -4.85 114.94 112.91 2dmd s ASN 76 Ca 0.50 -0.57 -0.01 0.00 0.42 0.00 0.00 52.86 53.20 2dmd s ASN 76 Cb 0.40 0.25 -0.01 0.00 -1.45 0.00 0.00 41.25 40.45 2dmd s ASN 76 CO 0.12 -0.56 0.06 -1.28 -3.72 0.00 0.00 177.10 171.71 2dmd h SER 77 N 3.43 -0.04 -0.57 -4.21 0.87 -2.01 -3.32 113.55 107.69 2dmd h SER 77 Ca -0.33 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.34 2dmd h SER 77 Cb 1.18 0.01 -0.11 0.00 -0.44 0.00 0.00 62.40 63.04 2dmd h SER 77 CO 0.53 0.38 -0.28 -1.28 -0.53 0.00 0.00 176.83 175.65 2dmd h SER 78 N -0.86 -0.97 -0.96 6.23 0.87 -2.00 -0.30 113.55 115.56 2dmd h SER 78 Ca -0.00 0.21 0.19 0.00 -1.23 0.00 0.00 61.79 60.96 2dmd h SER 78 Cb 0.03 0.51 -0.18 0.00 -0.44 0.00 0.00 62.40 62.32 2dmd h SER 78 CO 0.01 -0.28 -0.25 1.56 -0.53 0.00 0.00 176.83 177.34 2dmd h GLN 79 N -0.13 -0.00 -0.66 2.24 1.08 -2.00 0.64 115.11 116.27 2dmd h GLN 79 Ca 0.25 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.44 2dmd h GLN 79 Cb 0.53 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.93 2dmd h GLN 79 CO -0.65 -0.00 0.39 1.25 -0.95 0.00 0.00 178.83 178.87 2dmd h LEU 80 N -0.00 0.80 -0.26 1.46 5.85 -1.16 -0.27 115.31 121.73 2dmd h LEU 80 Ca 0.45 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.17 2dmd h LEU 80 Cb 0.69 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 2dmd h LEU 80 CO -0.98 0.63 -0.26 0.74 -0.34 0.00 0.00 178.44 178.22 2dmd h THR 81 N 0.90 0.35 -0.10 1.05 2.02 0.72 0.15 112.91 118.00 2dmd h THR 81 Ca 0.24 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.39 2dmd h THR 81 Cb -0.02 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2dmd h THR 81 CO -0.04 0.00 -0.02 0.58 0.37 0.00 0.00 175.52 176.40 2dmd h VAL 82 N -0.26 1.29 -1.00 3.16 2.07 -1.20 -3.06 116.25 117.24 2dmd h VAL 82 Ca 0.14 -0.95 0.24 0.00 0.82 0.00 0.00 66.70 66.95 2dmd h VAL 82 Cb 0.48 1.72 -0.12 0.00 -1.52 0.00 0.00 31.29 31.85 2dmd h VAL 82 CO -0.41 0.27 0.60 -0.74 0.02 0.00 0.00 177.57 177.31 2dmd h HIS 83 N -0.13 1.02 -0.52 1.57 6.17 -0.64 0.84 115.15 123.47 2dmd h HIS 83 Ca 0.03 0.04 0.05 0.00 0.71 0.00 0.00 60.37 61.19 2dmd h HIS 83 Cb 0.43 -0.30 -0.05 0.00 2.52 0.00 0.00 27.41 30.02 2dmd h HIS 83 CO 0.05 0.09 0.26 -0.07 0.71 0.00 0.00 177.93 178.97 2dmd h LEU 84 N 0.61 0.36 -1.15 0.26 3.38 -0.87 -1.67 115.31 116.23 2dmd h LEU 84 Ca 0.64 0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.84 2dmd h LEU 84 Cb 1.18 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.80 2dmd h LEU 84 CO -0.46 0.24 0.62 0.03 0.09 0.00 0.00 178.44 178.96 2dmd h ARG 85 N 0.50 0.63 -1.16 1.13 3.08 -0.85 0.90 114.38 118.60 2dmd h ARG 85 Ca 0.23 -0.04 0.33 0.00 0.07 0.00 0.00 59.98 60.57 2dmd h ARG 85 Cb 0.16 -0.14 -0.09 0.00 0.08 0.00 0.00 29.97 29.98 2dmd h ARG 85 CO -0.17 0.41 0.77 1.03 -1.07 0.00 0.00 179.97 180.95 2dmd h SER 86 N 0.64 0.27 -0.69 7.04 0.87 -1.23 -3.31 113.55 117.14 2dmd h SER 86 Ca 0.56 0.07 -0.34 0.00 -1.23 0.00 0.00 61.79 60.85 2dmd h SER 86 Cb 1.04 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.98 2dmd h SER 86 CO -0.33 0.01 0.91 -1.00 -0.53 0.00 0.00 176.83 175.89 2dmd s HIS 87 N -5.29 1.92 0.06 2.24 3.76 0.31 -4.45 115.29 113.84 2dmd s HIS 87 Ca -0.07 0.41 0.00 0.00 -0.15 0.00 0.00 55.06 55.25 2dmd s HIS 87 Cb 0.26 -4.11 0.00 0.00 1.11 0.00 0.00 32.58 29.84 2dmd s HIS 87 CO 0.81 -1.64 0.00 0.25 -0.85 0.00 0.00 174.74 173.31 2dmd n THR 88 N 7.74 0.32 0.00 1.30 -2.24 -1.25 -5.07 114.28 115.08 2dmd n THR 88 Ca 0.41 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 2dmd n THR 88 Cb 0.47 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 2dmd n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmd n GLY 89 N 2.72 -0.36 0.10 3.38 0.00 -1.26 -5.06 105.19 104.71 2dmd n GLY 89 Ca 0.00 0.09 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.09 0.04 1.61 3.58 -1.98 -3.39 116.42 116.19 2dmd h ASP 90 Ca 0.00 -0.39 -0.14 0.00 0.42 0.00 0.00 57.03 56.92 2dmd h ASP 90 Cb 0.00 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2dmd h ASP 90 CO 0.00 0.55 -0.74 -1.28 -2.88 0.00 0.00 179.24 174.89 2dmd h SER 91 N -0.96 0.14 -3.80 2.28 0.87 -1.98 -3.51 113.55 106.59 2dmd h SER 91 Ca -0.01 -0.83 0.11 0.00 -1.23 0.00 0.00 61.79 59.83 2dmd h SER 91 Cb 0.48 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.33 2dmd h SER 91 CO 0.02 1.31 -0.97 0.61 -0.53 0.00 0.00 176.83 177.27 2dmd n GLY 92 N 1.60 -3.71 0.00 5.77 0.00 -1.26 -4.40 105.19 103.18 2dmd n GLY 92 Ca -0.20 -0.97 0.07 0.00 0.00 0.00 0.00 46.02 44.93 2dmd n GLY 92 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmd n PRO 93 N -3.08 0.28 -1.06 1.61 -0.04 -1.26 -4.80 135.00 126.65 2dmd n PRO 93 Ca -0.03 0.11 -0.28 0.00 -0.04 0.00 0.00 63.50 63.25 2dmd n PRO 93 Cb 0.50 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.65 2dmd n PRO 93 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dmd s SER 94 N -2.42 2.24 0.05 3.54 0.01 -1.26 -5.07 113.70 110.78 2dmd s SER 94 Ca 0.16 1.21 0.04 0.00 1.31 0.00 0.00 55.95 58.68 2dmd s SER 94 Cb 0.10 -1.90 -0.02 0.00 0.21 0.00 0.00 66.02 64.40 2dmd s SER 94 CO 0.21 -3.38 -0.12 -0.55 0.41 0.00 0.00 173.24 169.82 2dmd s SER 95 N -3.30 1.43 0.00 2.44 0.15 -1.26 -5.13 113.70 108.03 2dmd s SER 95 Ca 0.66 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.77 2dmd s SER 95 Cb -0.20 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2dmd s SER 95 CO 0.59 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.57