#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 -0.43 0.26 1.61 0.01 -1.26 -5.19 113.70 108.70 2dmd s SER 2 Ca 0.00 0.81 -0.22 0.00 1.31 0.00 0.00 55.95 57.85 2dmd s SER 2 Cb 0.00 0.82 0.03 0.00 0.21 0.00 0.00 66.02 67.07 2dmd s SER 2 CO 0.00 -0.16 0.77 -0.44 0.41 0.00 0.00 173.24 173.82 2dmd s SER 3 N 0.13 -0.24 -0.21 2.44 0.01 -1.26 -5.19 113.70 109.38 2dmd s SER 3 Ca 0.03 -0.57 -0.28 0.00 1.31 0.00 0.00 55.95 56.44 2dmd s SER 3 Cb -0.05 0.68 0.13 0.00 0.21 0.00 0.00 66.02 66.99 2dmd s SER 3 CO -0.06 -1.27 1.02 -0.83 0.41 0.00 0.00 173.24 172.51 2dmd s GLY 4 N -2.93 -0.21 -0.12 3.44 0.00 -1.26 -5.18 107.32 101.07 2dmd s GLY 4 Ca 0.11 2.30 -0.22 0.00 0.00 0.00 0.00 44.72 46.92 2dmd s GLY 4 CO 0.06 1.35 0.53 -0.56 0.00 0.00 0.00 173.10 174.48 2dmd s SER 5 N -0.59 -0.51 -0.24 1.64 0.01 -1.26 -5.14 113.70 107.61 2dmd s SER 5 Ca 0.00 0.76 -0.22 0.00 1.31 0.00 0.00 55.95 57.80 2dmd s SER 5 Cb -0.02 0.77 -0.01 0.00 0.21 0.00 0.00 66.02 66.97 2dmd s SER 5 CO -0.02 -0.37 0.73 -0.55 0.41 0.00 0.00 173.24 173.44 2dmd s SER 6 N -0.51 6.71 -0.54 2.44 0.15 -1.26 -4.99 113.70 115.70 2dmd s SER 6 Ca -0.06 0.88 0.07 0.00 0.70 0.00 0.00 55.95 57.53 2dmd s SER 6 Cb -0.03 -2.39 0.25 0.00 -1.71 0.00 0.00 66.02 62.14 2dmd s SER 6 CO 0.04 -0.43 0.65 0.61 1.20 0.00 0.00 173.24 175.31 2dmd n GLY 7 N 3.93 4.00 0.00 9.45 0.00 -1.26 -5.10 105.19 116.21 2dmd n GLY 7 Ca 0.02 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.76 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 1.12 0.12 -3.66 1.61 -0.04 -1.26 -5.03 135.00 127.86 2dmd n PRO 8 Ca 0.26 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.38 2dmd n PRO 8 Cb 0.46 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.43 3.57 -0.00 0.54 3.76 -1.26 -5.06 115.29 116.41 2dmd s HIS 9 Ca 0.00 0.68 0.04 0.00 -0.15 0.00 0.00 55.06 55.63 2dmd s HIS 9 Cb 0.00 -2.08 -0.01 0.00 1.11 0.00 0.00 32.58 31.60 2dmd s HIS 9 CO 0.00 0.55 -0.12 -1.59 -0.85 0.00 0.00 174.74 172.74 2dmd s LYS 10 N -1.90 0.91 1.02 1.40 -2.85 -1.26 -3.38 119.74 113.68 2dmd s LYS 10 Ca 0.31 -0.46 -0.13 0.00 -1.00 0.00 0.00 55.97 54.70 2dmd s LYS 10 Cb -0.14 -0.88 0.14 0.00 -2.06 0.00 0.00 37.83 34.89 2dmd s LYS 10 CO 0.18 0.24 0.68 0.00 0.10 0.00 0.00 175.35 176.54 2dmd n GLU 12 N -3.20 5.22 -0.07 0.00 0.00 -1.26 -4.02 120.64 117.30 2dmd n GLU 12 Ca 0.06 -0.02 -0.19 0.00 0.00 0.00 0.00 57.16 57.01 2dmd n GLU 12 Cb 0.55 -0.42 -0.13 0.00 0.00 0.00 0.00 31.44 31.44 2dmd n GLU 12 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 2dmd n VAL 13 N -0.75 1.61 -0.04 3.84 0.24 -1.26 -4.67 118.33 117.30 2dmd n VAL 13 Ca 0.00 -0.61 -0.04 0.00 -2.04 0.00 0.00 64.34 61.64 2dmd n VAL 13 Cb 0.00 -1.53 -0.06 0.00 -1.47 0.00 0.00 33.84 30.78 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 2.55 1.08 3.93 0.00 0.00 -1.26 -5.07 105.19 106.42 2dmd n GLY 15 Ca -0.13 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.69 2.92 0.18 1.61 2.20 -1.26 -4.81 119.74 117.89 2dmd s LYS 16 Ca 0.00 -0.19 0.07 0.00 -0.36 0.00 0.00 55.97 55.49 2dmd s LYS 16 Cb 0.00 -2.36 -0.04 0.00 -1.51 0.00 0.00 37.83 33.92 2dmd s LYS 16 CO 0.00 -0.60 0.05 0.00 -0.36 0.00 0.00 175.35 174.45 2dmd s PHE 18 N -1.79 1.48 -0.20 0.00 0.08 -1.22 -4.97 117.98 111.36 2dmd s PHE 18 Ca 0.29 -1.48 0.05 0.00 0.12 0.00 0.00 56.93 55.91 2dmd s PHE 18 Cb -0.09 -0.68 -0.16 0.00 -0.57 0.00 0.00 43.02 41.52 2dmd s PHE 18 CO 0.21 -0.70 -0.12 0.43 -0.10 0.00 0.00 175.22 174.94 2dmd n SER 19 N -0.88 1.96 -4.22 1.36 7.64 -1.26 -4.65 113.62 113.56 2dmd n SER 19 Ca 0.04 -0.08 -0.25 0.00 1.01 0.00 0.00 58.87 59.59 2dmd n SER 19 Cb 0.64 0.01 -0.09 0.00 -1.01 0.00 0.00 64.21 63.76 2dmd n SER 19 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2dmd s ARG 20 N -2.42 1.85 0.27 1.43 0.52 -1.26 -4.89 118.95 114.46 2dmd s ARG 20 Ca -0.23 -2.11 0.14 0.00 -0.52 0.00 0.00 55.73 53.02 2dmd s ARG 20 Cb 0.07 -0.68 0.16 0.00 0.52 0.00 0.00 34.95 35.02 2dmd s ARG 20 CO 0.54 -0.40 1.48 -0.22 0.02 0.00 0.00 175.30 176.72 2dmd h LYS 21 N 1.87 0.00 -0.05 3.54 3.11 -1.96 -3.23 116.57 119.85 2dmd h LYS 21 Ca -0.37 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.28 2dmd h LYS 21 Cb 1.27 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.49 2dmd h LYS 21 CO 0.60 0.57 -0.79 -0.44 -2.81 0.00 0.00 179.45 176.58 2dmd h ASP 22 N 0.00 0.45 0.00 4.20 3.32 -2.01 -3.01 116.42 119.38 2dmd h ASP 22 Ca -0.01 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2dmd h ASP 22 Cb 1.34 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2dmd h ASP 22 CO 0.07 1.07 0.10 0.11 -1.72 0.00 0.00 179.24 178.88 2dmd h LYS 23 N 0.24 0.00 0.02 3.56 1.79 -1.97 -2.31 116.57 117.89 2dmd h LYS 23 Ca -0.04 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.14 2dmd h LYS 23 Cb 1.38 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.99 2dmd h LYS 23 CO 0.13 0.00 -1.60 -0.11 -1.08 0.00 0.00 179.45 176.79 2dmd n LEU 24 N -2.81 2.00 -0.32 2.94 7.94 -1.14 -2.94 117.00 122.67 2dmd n LEU 24 Ca -0.02 0.37 0.28 0.00 -1.11 0.00 0.00 56.01 55.52 2dmd n LEU 24 Cb 0.16 -0.96 0.51 0.00 0.53 0.00 0.00 43.42 43.66 2dmd n LEU 24 CO 0.16 0.42 0.98 0.29 -1.11 0.00 0.00 177.39 178.12 2dmd n LYS 25 N -4.25 -0.06 0.04 1.96 5.02 -0.88 0.16 118.16 120.15 2dmd n LYS 25 Ca -0.36 1.37 0.01 0.00 -2.02 0.00 0.00 58.31 57.31 2dmd n LYS 25 Cb 0.77 -2.40 -0.07 0.00 -0.02 0.00 0.00 35.03 33.31 2dmd n LYS 25 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2dmd n THR 26 N -5.26 1.12 -0.32 -0.18 -1.04 -1.18 -4.07 114.28 103.35 2dmd n THR 26 Ca 0.34 -0.68 0.13 0.00 -2.04 0.00 0.00 64.05 61.81 2dmd n THR 26 Cb 1.15 -0.70 0.36 0.00 -1.82 0.00 0.00 70.33 69.32 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 0.00 0.94 0.00 -1.42 6.17 0.17 0.30 115.15 121.31 2dmd h HIS 27 Ca -0.14 0.03 0.00 0.00 0.71 0.00 0.00 60.37 60.96 2dmd h HIS 27 Cb 1.52 -0.29 0.00 0.00 2.52 0.00 0.00 27.41 31.16 2dmd h HIS 27 CO 0.00 0.27 0.28 0.52 0.71 0.00 0.00 177.93 179.70 2dmd h MET 28 N 0.72 0.00 -0.92 5.26 2.86 -1.58 -0.19 114.93 121.08 2dmd h MET 28 Ca 0.52 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.15 2dmd h MET 28 Cb 0.86 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.48 2dmd h MET 28 CO -0.29 0.00 0.53 0.00 1.06 0.00 0.00 176.91 178.21 2dmd h ARG 29 N 0.00 1.26 0.00 1.72 3.08 -0.66 -1.17 114.38 118.60 2dmd h ARG 29 Ca 0.00 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 2dmd h ARG 29 Cb 0.55 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 2dmd h ARG 29 CO 0.00 0.89 -0.01 0.00 -1.07 0.00 0.00 179.97 179.78 2dmd s HIS 31 N -3.94 3.94 0.20 0.00 3.76 -0.44 -5.01 115.29 113.80 2dmd s HIS 31 Ca -0.02 -2.28 0.08 0.00 -0.15 0.00 0.00 55.06 52.68 2dmd s HIS 31 Cb 0.11 -3.89 -0.05 0.00 1.11 0.00 0.00 32.58 29.87 2dmd s HIS 31 CO 0.48 -1.03 -0.14 0.95 -0.85 0.00 0.00 174.74 174.15 2dmd s THR 32 N -0.24 1.70 0.00 1.30 -4.23 -1.26 -4.98 115.64 107.93 2dmd s THR 32 Ca 0.26 -2.18 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 2dmd s THR 32 Cb -0.09 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.73 2dmd s THR 32 CO -0.08 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.02 2dmd n GLY 33 N -0.33 1.15 0.00 3.99 0.00 -1.26 -5.03 105.19 103.71 2dmd n GLY 33 Ca -0.08 -1.16 0.01 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.04 1.61 0.24 -1.26 -5.01 118.33 111.88 2dmd n VAL 34 Ca 0.00 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.34 61.67 2dmd n VAL 34 Cb 0.00 0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 33.00 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 -1.82 4.21 0.00 7.34 3.01 -1.26 -4.87 119.74 126.34 2dmd s LYS 35 Ca -0.00 2.17 0.15 0.00 -1.01 0.00 0.00 55.97 57.28 2dmd s LYS 35 Cb 0.02 -3.79 0.71 0.00 -1.01 0.00 0.00 37.83 33.76 2dmd s LYS 35 CO 0.11 -0.76 1.42 -0.35 0.51 0.00 0.00 175.35 176.29 2dmd n PRO 36 N 6.34 0.16 -3.57 -1.68 -0.04 -1.26 -4.34 135.00 130.61 2dmd n PRO 36 Ca 0.16 0.17 -0.40 0.00 -0.04 0.00 0.00 63.50 63.39 2dmd n PRO 36 Cb 0.42 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.67 3.50 0.01 0.54 2.02 -1.25 -5.05 117.35 114.43 2dmd s TYR 37 Ca 0.12 -2.19 0.06 0.00 -0.37 0.00 0.00 57.07 54.69 2dmd s TYR 37 Cb 0.10 -3.45 -0.02 0.00 -0.40 0.00 0.00 41.96 38.19 2dmd s TYR 37 CO 0.23 -0.95 -0.17 0.15 -1.57 0.00 0.00 175.55 173.24 2dmd s LYS 38 N 0.67 1.33 1.03 -0.62 1.02 -1.26 -0.85 119.74 121.05 2dmd s LYS 38 Ca 0.12 -0.70 -0.13 0.00 0.02 0.00 0.00 55.97 55.28 2dmd s LYS 38 Cb -0.21 -1.32 0.13 0.00 -0.52 0.00 0.00 37.83 35.91 2dmd s LYS 38 CO -0.03 0.35 0.60 0.00 -0.92 0.00 0.00 175.35 175.35 2dmd h LYS 40 N -1.98 0.27 0.00 0.00 3.64 -2.00 -3.41 116.57 113.08 2dmd h LYS 40 Ca -0.49 -0.36 -0.36 0.00 -1.27 0.00 0.00 60.65 58.17 2dmd h LYS 40 Cb 1.31 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 33.19 2dmd h LYS 40 CO 0.40 1.10 -2.23 -2.37 -2.27 0.00 0.00 179.45 174.08 2dmd n THR 41 N -4.30 1.21 -0.84 1.00 5.66 -1.26 -5.02 114.28 110.73 2dmd n THR 41 Ca -0.11 -0.34 -0.29 0.00 -3.05 0.00 0.00 64.05 60.26 2dmd n THR 41 Cb 0.66 -1.69 0.24 0.00 -1.55 0.00 0.00 70.33 67.99 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 -4.89 2.45 -4.77 0.00 2.03 -1.26 -4.35 116.55 105.76 2dmd n ASP 43 Ca 0.09 -3.62 -0.38 0.00 0.52 0.00 0.00 54.79 51.40 2dmd n ASP 43 Cb 0.58 -0.57 -0.06 0.00 -0.72 0.00 0.00 41.12 40.35 2dmd n ASP 43 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2dmd s TYR 44 N -3.14 3.81 -0.09 -0.67 5.04 -1.26 -4.94 117.35 116.10 2dmd s TYR 44 Ca 0.41 1.77 0.04 0.00 -2.44 0.00 0.00 57.07 56.84 2dmd s TYR 44 Cb 0.37 -2.89 0.00 0.00 0.35 0.00 0.00 41.96 39.80 2dmd s TYR 44 CO -0.00 0.35 -0.22 0.00 -1.34 0.00 0.00 175.55 174.33 2dmd s ALA 45 N -1.40 2.03 0.11 3.97 0.00 -1.26 -2.60 121.76 122.60 2dmd s ALA 45 Ca 0.44 -0.89 0.10 0.00 0.00 0.00 0.00 51.96 51.61 2dmd s ALA 45 Cb -0.21 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 2dmd s ALA 45 CO 0.26 0.27 -0.24 0.00 0.00 0.00 0.00 175.76 176.06 2dmd s ALA 46 N 0.36 2.46 -0.09 0.00 0.00 -0.03 -5.03 121.76 119.43 2dmd s ALA 46 Ca -0.17 -1.39 -0.10 0.00 0.00 0.00 0.00 51.96 50.30 2dmd s ALA 46 Cb -0.17 -0.50 -0.08 0.00 0.00 0.00 0.00 23.12 22.37 2dmd s ALA 46 CO 0.08 0.56 0.35 0.00 0.00 0.00 0.00 175.76 176.75 2dmd h ALA 47 N 4.02 -0.13 -1.96 0.00 0.00 -1.96 -3.34 119.26 115.89 2dmd h ALA 47 Ca -0.50 -0.13 -0.45 0.00 0.00 0.00 0.00 54.91 53.84 2dmd h ALA 47 Cb 1.16 0.05 0.05 0.00 0.00 0.00 0.00 17.79 19.05 2dmd h ALA 47 CO 0.42 -0.13 -0.00 0.34 0.00 0.00 0.00 179.25 179.88 2dmd s ASP 48 N -5.53 5.34 -0.00 0.00 2.15 -1.26 -4.83 116.67 112.53 2dmd s ASP 48 Ca -0.06 0.14 -0.21 0.00 0.43 0.00 0.00 52.55 52.85 2dmd s ASP 48 Cb -0.00 -1.07 -0.21 0.00 -0.30 0.00 0.00 42.92 41.34 2dmd s ASP 48 CO 0.22 -1.11 1.14 0.28 -0.17 0.00 0.00 175.17 175.53 2dmd h SER 49 N 0.04 0.40 0.24 -0.34 0.02 -2.00 -3.09 113.55 108.81 2dmd h SER 49 Ca -0.43 -0.69 0.00 0.00 -0.84 0.00 0.00 61.79 59.82 2dmd h SER 49 Cb 1.29 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2dmd h SER 49 CO 0.55 1.04 0.00 -1.54 -1.14 0.00 0.00 176.83 175.73 2dmd n SER 50 N -4.39 0.56 0.09 3.07 3.41 -1.26 -1.66 113.62 113.44 2dmd n SER 50 Ca -0.09 0.72 -0.16 0.00 -0.26 0.00 0.00 58.87 59.08 2dmd n SER 50 Cb 0.54 -0.81 -0.10 0.00 -0.26 0.00 0.00 64.21 63.58 2dmd n SER 50 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dmd h SER 51 N 0.00 0.55 1.40 4.04 0.02 -1.94 -3.23 113.55 114.39 2dmd h SER 51 Ca 0.00 -0.52 -0.11 0.00 -0.84 0.00 0.00 61.79 60.32 2dmd h SER 51 Cb 0.12 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2dmd h SER 51 CO 0.00 1.36 -0.61 0.25 -1.14 0.00 0.00 176.83 176.69 2dmd h LEU 52 N 0.16 0.00 -1.01 5.07 5.85 -1.36 -3.28 115.31 120.75 2dmd h LEU 52 Ca -0.13 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 2dmd h LEU 52 Cb 1.83 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.84 2dmd h LEU 52 CO 0.20 0.50 -0.03 0.78 -0.34 0.00 0.00 178.44 179.54 2dmd h ASN 53 N 0.00 0.65 -0.12 1.25 -0.26 -1.49 -2.71 115.58 112.89 2dmd h ASN 53 Ca -0.02 -0.15 -0.14 0.00 -0.56 0.00 0.00 56.30 55.43 2dmd h ASN 53 Cb 1.40 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 38.48 2dmd h ASN 53 CO 0.06 0.74 -0.39 0.11 -1.06 0.00 0.00 177.43 176.88 2dmd h LYS 54 N 0.63 0.65 -0.08 0.81 1.79 -1.61 -2.89 116.57 115.87 2dmd h LYS 54 Ca 0.12 -0.33 -0.01 0.00 -2.18 0.00 0.00 60.65 58.25 2dmd h LYS 54 Cb 0.44 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 2dmd h LYS 54 CO 0.02 0.93 -0.01 1.25 -1.08 0.00 0.00 179.45 180.56 2dmd h HIS 55 N 0.54 0.11 0.00 -1.35 2.76 -1.56 -1.31 115.15 114.34 2dmd h HIS 55 Ca 0.05 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 2dmd h HIS 55 Cb 0.92 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.83 2dmd h HIS 55 CO 0.04 0.14 -0.22 -0.07 -1.30 0.00 0.00 177.93 176.52 2dmd h LEU 56 N 0.12 0.00 0.21 0.26 3.38 -1.35 -3.04 115.31 114.89 2dmd h LEU 56 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2dmd h LEU 56 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2dmd h LEU 56 CO 0.00 0.22 -0.10 0.03 0.09 0.00 0.00 178.44 178.68 2dmd h ARG 57 N 0.00 -0.27 -1.46 1.13 3.08 -1.30 -2.89 114.38 112.67 2dmd h ARG 57 Ca -0.00 0.02 0.42 0.00 0.07 0.00 0.00 59.98 60.49 2dmd h ARG 57 Cb 0.43 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.48 2dmd h ARG 57 CO 0.03 0.05 1.29 -0.84 -1.07 0.00 0.00 179.97 179.43 2dmd h ILE 58 N -0.61 0.02 -0.06 2.04 -0.00 -1.54 -3.14 117.51 114.22 2dmd h ILE 58 Ca -0.03 0.00 -0.64 0.00 -0.00 0.00 0.00 64.86 64.19 2dmd h ILE 58 Cb 0.44 0.03 0.02 0.00 -0.00 0.00 0.00 36.82 37.32 2dmd h ILE 58 CO 0.05 0.00 2.36 1.41 -0.00 0.00 0.00 178.15 181.97 2dmd n HIS 59 N -3.60 2.34 -0.09 0.16 8.25 -1.09 -4.66 115.22 116.53 2dmd n HIS 59 Ca 0.33 -2.03 -0.11 0.00 -0.26 0.00 0.00 57.72 55.64 2dmd n HIS 59 Cb 1.73 -1.97 -0.04 0.00 1.12 0.00 0.00 29.99 30.83 2dmd n HIS 59 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2dmd h SER 60 N 7.67 0.47 -1.03 0.41 0.02 -1.84 -3.02 113.55 116.24 2dmd h SER 60 Ca 0.44 -0.33 0.37 0.00 -0.84 0.00 0.00 61.79 61.43 2dmd h SER 60 Cb 0.69 -0.13 -0.12 0.00 0.14 0.00 0.00 62.40 62.98 2dmd h SER 60 CO 1.88 0.69 0.64 0.47 -1.14 0.00 0.00 176.83 179.36 2dmd n ASP 61 N -4.59 0.20 0.00 3.07 8.00 -1.26 -1.53 116.55 120.43 2dmd n ASP 61 Ca -0.03 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.63 2dmd n ASP 61 Cb 0.27 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 2dmd n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2dmd n GLU 62 N -4.42 0.00 -3.79 -1.24 -0.58 -1.14 -4.64 120.64 104.83 2dmd n GLU 62 Ca 0.32 0.78 -0.14 0.00 -0.42 0.00 0.00 57.16 57.69 2dmd n GLU 62 Cb 1.20 -1.28 -0.16 0.00 -0.57 0.00 0.00 31.44 30.63 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 -2.13 -0.02 0.45 3.49 3.00 -0.58 -4.91 118.95 118.25 2dmd s ARG 63 Ca 0.00 0.17 0.24 0.00 0.00 0.00 0.00 55.73 56.14 2dmd s ARG 63 Cb 0.00 -0.20 1.03 0.00 0.00 0.00 0.00 34.95 35.78 2dmd s ARG 63 CO 0.00 -0.14 1.88 -1.00 0.00 0.00 0.00 175.30 176.04 2dmd h PRO 64 N 7.10 0.00 -6.28 3.54 0.13 -1.79 -3.44 132.00 131.27 2dmd h PRO 64 Ca -0.42 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.09 2dmd h PRO 64 Cb 1.14 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.17 2dmd h PRO 64 CO 0.48 0.22 -0.63 -0.06 -0.23 0.00 0.00 178.00 177.79 2dmd s PHE 65 N -3.80 3.04 0.05 1.56 0.08 -1.25 -5.09 117.98 112.57 2dmd s PHE 65 Ca -0.00 -0.02 -0.07 0.00 0.12 0.00 0.00 56.93 56.96 2dmd s PHE 65 Cb 0.11 -1.52 -0.01 0.00 -0.57 0.00 0.00 43.02 41.03 2dmd s PHE 65 CO 0.63 0.50 0.13 0.15 -0.10 0.00 0.00 175.22 176.54 2dmd s LYS 66 N -2.63 0.66 0.16 0.44 3.01 -1.26 -3.65 119.74 116.48 2dmd s LYS 66 Ca 0.28 -0.79 0.00 0.00 -1.01 0.00 0.00 55.97 54.45 2dmd s LYS 66 Cb -0.11 0.26 -0.04 0.00 -1.01 0.00 0.00 37.83 36.93 2dmd s LYS 66 CO 0.20 -0.18 0.33 0.00 0.51 0.00 0.00 175.35 176.22 2dmd h GLN 68 N 2.23 -0.11 0.14 0.00 4.20 -1.98 -3.39 115.11 116.20 2dmd h GLN 68 Ca -0.48 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.25 2dmd h GLN 68 Cb 1.19 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.95 2dmd h GLN 68 CO 0.69 -0.07 -0.52 0.82 -0.67 0.00 0.00 178.83 179.08 2dmd h ILE 69 N -0.94 0.02 -3.16 2.54 5.03 -2.01 -3.43 117.51 115.57 2dmd h ILE 69 Ca -0.01 0.00 -0.63 0.00 -0.12 0.00 0.00 64.86 64.10 2dmd h ILE 69 Cb 0.09 0.02 -0.13 0.00 -3.03 0.00 0.00 36.82 33.77 2dmd h ILE 69 CO 0.02 0.00 -0.70 0.00 -0.68 0.00 0.00 178.15 176.79 2dmd n PRO 71 N 0.23 0.49 -0.91 0.00 -0.04 -1.26 -3.65 135.00 129.86 2dmd n PRO 71 Ca -0.11 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.98 2dmd n PRO 71 Cb 0.54 -1.34 0.07 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.84 -1.91 -3.60 0.54 9.36 -1.26 -4.64 117.16 114.81 2dmd n TYR 72 Ca 0.08 0.42 -0.16 0.00 3.32 0.00 0.00 57.90 61.56 2dmd n TYR 72 Cb 0.04 -1.45 -0.07 0.00 -0.63 0.00 0.00 39.34 37.22 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 -2.08 -1.64 0.01 2.98 0.00 -1.26 -2.77 121.76 116.99 2dmd s ALA 73 Ca 0.43 1.55 -0.00 0.00 0.00 0.00 0.00 51.96 53.93 2dmd s ALA 73 Cb -0.01 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 2dmd s ALA 73 CO 0.69 -0.33 -0.01 -1.54 0.00 0.00 0.00 175.76 174.56 2dmd s SER 74 N -0.40 0.12 -0.19 0.00 1.04 -1.24 -5.00 113.70 108.03 2dmd s SER 74 Ca -0.05 -0.24 -0.01 0.00 0.48 0.00 0.00 55.95 56.12 2dmd s SER 74 Cb -0.03 0.06 0.09 0.00 0.10 0.00 0.00 66.02 66.24 2dmd s SER 74 CO 0.05 -0.15 2.16 0.54 0.98 0.00 0.00 173.24 176.81 2dmd n ARG 75 N 2.33 1.55 -3.82 4.02 1.74 -1.26 -3.91 116.66 117.30 2dmd n ARG 75 Ca -0.18 -0.99 -0.08 0.00 -0.77 0.00 0.00 57.85 55.83 2dmd n ARG 75 Cb 0.57 -1.44 0.02 0.00 -1.02 0.00 0.00 32.46 30.60 2dmd n ARG 75 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2dmd s ASN 76 N 0.98 0.00 -0.21 0.55 0.01 -1.26 -5.06 114.94 109.95 2dmd s ASN 76 Ca 0.23 -1.06 -0.05 0.00 -0.71 0.00 0.00 52.86 51.28 2dmd s ASN 76 Cb 0.16 0.79 -0.12 0.00 0.41 0.00 0.00 41.25 42.50 2dmd s ASN 76 CO -0.02 -1.56 -0.23 -1.54 -1.51 0.00 0.00 177.10 172.24 2dmd n SER 77 N -1.37 1.98 0.23 -1.22 3.41 -1.26 -4.47 113.62 110.92 2dmd n SER 77 Ca -0.07 0.08 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 2dmd n SER 77 Cb 0.60 -0.49 -0.08 0.00 -0.26 0.00 0.00 64.21 63.98 2dmd n SER 77 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dmd h SER 78 N -0.39 -0.48 -0.99 4.04 0.02 -2.00 -2.83 113.55 110.92 2dmd h SER 78 Ca -0.51 -0.06 0.35 0.00 -0.84 0.00 0.00 61.79 60.73 2dmd h SER 78 Cb 1.61 0.12 -0.18 0.00 0.14 0.00 0.00 62.40 64.10 2dmd h SER 78 CO -0.20 -0.23 0.36 1.56 -1.14 0.00 0.00 176.83 177.18 2dmd h GLN 79 N -0.72 0.05 -0.39 3.45 1.08 -1.99 0.83 115.11 117.41 2dmd h GLN 79 Ca -0.06 -0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.09 2dmd h GLN 79 Cb 0.51 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 2dmd h GLN 79 CO 0.10 0.03 0.07 1.25 -0.95 0.00 0.00 178.83 179.32 2dmd h LEU 80 N 0.05 0.62 -0.06 1.46 5.85 -1.74 -0.86 115.31 120.63 2dmd h LEU 80 Ca 0.74 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 59.24 2dmd h LEU 80 Cb 1.81 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.62 2dmd h LEU 80 CO -0.80 0.72 -0.24 0.74 -0.34 0.00 0.00 178.44 178.52 2dmd h THR 81 N 0.49 0.43 -0.64 1.05 2.02 0.89 -1.15 112.91 116.00 2dmd h THR 81 Ca 0.12 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.24 2dmd h THR 81 Cb 0.36 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 2dmd h THR 81 CO 0.01 0.00 0.19 0.58 0.37 0.00 0.00 175.52 176.67 2dmd h VAL 82 N -0.34 1.25 -0.37 3.16 2.07 -1.35 -3.03 116.25 117.64 2dmd h VAL 82 Ca 0.08 -0.87 0.07 0.00 0.82 0.00 0.00 66.70 66.80 2dmd h VAL 82 Cb 0.46 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 2dmd h VAL 82 CO -0.26 0.33 -0.09 -0.74 0.02 0.00 0.00 177.57 176.84 2dmd h HIS 83 N 0.93 -0.19 -0.67 1.57 6.17 -0.60 -2.46 115.15 119.90 2dmd h HIS 83 Ca 0.21 0.03 0.09 0.00 0.71 0.00 0.00 60.37 61.41 2dmd h HIS 83 Cb 0.31 0.14 -0.11 0.00 2.52 0.00 0.00 27.41 30.27 2dmd h HIS 83 CO 0.02 -0.16 -0.45 -0.07 0.71 0.00 0.00 177.93 177.98 2dmd h LEU 84 N 0.00 -1.59 -0.81 0.26 3.38 -1.10 0.12 115.31 115.58 2dmd h LEU 84 Ca 0.18 0.26 0.23 0.00 0.09 0.00 0.00 57.88 58.64 2dmd h LEU 84 Cb 0.27 0.73 -0.15 0.00 0.09 0.00 0.00 40.66 41.60 2dmd h LEU 84 CO -0.38 -0.32 0.06 0.54 0.09 0.00 0.00 178.44 178.42 2dmd n ARG 85 N -5.39 -0.06 -0.34 1.13 3.00 -0.93 0.61 116.66 114.68 2dmd n ARG 85 Ca 0.02 1.21 0.04 0.00 -0.01 0.00 0.00 57.85 59.11 2dmd n ARG 85 Cb 0.34 -1.94 0.11 0.00 0.00 0.00 0.00 32.46 30.98 2dmd n ARG 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2dmd h SER 86 N 0.00 -0.99 0.11 0.55 0.87 -0.82 0.15 113.55 113.43 2dmd h SER 86 Ca 0.51 0.29 0.02 0.00 -1.23 0.00 0.00 61.79 61.37 2dmd h SER 86 Cb 1.09 0.62 -0.03 0.00 -0.44 0.00 0.00 62.40 63.64 2dmd h SER 86 CO -0.75 -0.31 -0.23 0.45 -0.53 0.00 0.00 176.83 175.46 2dmd h HIS 87 N -0.01 -0.61 -3.42 2.24 3.86 0.06 -3.34 115.15 113.94 2dmd h HIS 87 Ca 0.43 0.01 -0.72 0.00 -1.16 0.00 0.00 60.37 58.93 2dmd h HIS 87 Cb 0.67 0.25 -0.24 0.00 1.06 0.00 0.00 27.41 29.15 2dmd h HIS 87 CO -0.76 -0.33 -0.41 0.95 0.86 0.00 0.00 177.93 178.24 2dmd s THR 88 N -6.08 4.84 0.00 2.45 -4.23 0.51 -4.71 115.64 108.42 2dmd s THR 88 Ca -0.15 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 2dmd s THR 88 Cb 0.08 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 70.07 2dmd s THR 88 CO 0.65 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.88 2dmd n GLY 89 N 5.08 0.68 3.68 3.99 0.00 -1.23 -4.68 105.19 112.72 2dmd n GLY 89 Ca -0.11 -0.15 -0.45 0.00 0.00 0.00 0.00 46.02 45.30 2dmd n GLY 89 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dmd n ASP 90 N 0.00 3.47 -0.02 1.61 8.00 -1.25 -4.92 116.55 123.45 2dmd n ASP 90 Ca 0.00 1.03 -0.06 0.00 0.71 0.00 0.00 54.79 56.47 2dmd n ASP 90 Cb 0.00 -1.45 -0.05 0.00 -0.02 0.00 0.00 41.12 39.60 2dmd n ASP 90 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2dmd h SER 91 N 7.46 -0.07 -2.34 -2.24 0.87 -1.95 -3.48 113.55 111.80 2dmd h SER 91 Ca -0.46 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 59.80 2dmd h SER 91 Cb 1.25 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 2dmd h SER 91 CO 0.92 0.56 0.00 0.61 -0.53 0.00 0.00 176.83 178.39 2dmd n GLY 92 N 1.43 4.36 3.77 5.77 0.00 -1.26 -5.13 105.19 114.13 2dmd n GLY 92 Ca -0.04 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.36 4.39 -0.10 1.61 0.04 -1.26 -4.89 135.00 131.44 2dmd s PRO 93 Ca 0.00 2.03 -0.40 0.00 0.04 0.00 0.00 61.00 62.67 2dmd s PRO 93 Cb 0.00 -3.04 -0.19 0.00 0.04 0.00 0.00 34.50 31.30 2dmd s PRO 93 CO 0.00 -0.09 1.12 0.45 0.04 0.00 0.00 177.00 178.53 2dmd n SER 94 N 0.80 0.22 -4.19 6.66 2.88 -1.26 -4.92 113.62 113.81 2dmd n SER 94 Ca 0.00 1.12 -0.34 0.00 -1.33 0.00 0.00 58.87 58.32 2dmd n SER 94 Cb 0.43 -0.87 -0.15 0.00 -0.75 0.00 0.00 64.21 62.87 2dmd n SER 94 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dmd s SER 95 N 0.57 3.78 0.00 -3.46 0.15 -1.26 -5.33 113.70 108.15 2dmd s SER 95 Ca 0.90 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.90 2dmd s SER 95 Cb -1.26 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.45 2dmd s SER 95 CO 0.59 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.60