#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 1.05 -0.23 1.61 1.04 -1.26 -5.17 113.70 110.75 2dmd s SER 2 Ca 0.00 -1.05 -0.29 0.00 0.48 0.00 0.00 55.95 55.09 2dmd s SER 2 Cb 0.00 0.12 0.16 0.00 0.10 0.00 0.00 66.02 66.40 2dmd s SER 2 CO 0.00 -0.51 1.19 -0.55 0.98 0.00 0.00 173.24 174.35 2dmd s SER 3 N -3.06 -0.21 0.00 7.02 0.15 -1.26 -5.18 113.70 111.16 2dmd s SER 3 Ca 0.14 0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.05 2dmd s SER 3 Cb 0.06 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 2dmd s SER 3 CO -0.03 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2dmd n GLY 4 N 0.81 2.58 3.10 9.45 0.00 -1.26 -5.15 105.19 114.72 2dmd n GLY 4 Ca -0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 2dmd n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmd s SER 5 N 0.00 -0.27 -0.18 1.61 0.15 -1.26 -5.14 113.70 108.61 2dmd s SER 5 Ca 0.00 0.64 -0.09 0.00 0.70 0.00 0.00 55.95 57.21 2dmd s SER 5 Cb 0.00 1.44 0.07 0.00 -1.71 0.00 0.00 66.02 65.82 2dmd s SER 5 CO 0.00 -0.27 0.41 -0.44 1.20 0.00 0.00 173.24 174.14 2dmd s SER 6 N 2.64 -0.43 -0.42 5.45 0.01 -1.26 -5.09 113.70 114.61 2dmd s SER 6 Ca 0.09 0.91 0.08 0.00 1.31 0.00 0.00 55.95 58.34 2dmd s SER 6 Cb -0.14 0.92 0.27 0.00 0.21 0.00 0.00 66.02 67.28 2dmd s SER 6 CO -0.16 -0.20 0.71 0.61 0.41 0.00 0.00 173.24 174.60 2dmd n GLY 7 N 4.58 2.04 0.00 3.44 0.00 -1.26 -5.14 105.19 108.85 2dmd n GLY 7 Ca -0.19 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 1.18 -0.66 -2.72 1.61 -0.04 -1.26 -4.92 135.00 128.18 2dmd n PRO 8 Ca 0.17 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.21 2dmd n PRO 8 Cb 0.59 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.02 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 -0.82 2.52 -0.08 0.54 3.76 -1.23 -5.00 115.29 114.98 2dmd s HIS 9 Ca 0.00 -0.38 -0.12 0.00 -0.15 0.00 0.00 55.06 54.41 2dmd s HIS 9 Cb 0.00 -4.45 -0.05 0.00 1.11 0.00 0.00 32.58 29.20 2dmd s HIS 9 CO 0.00 -1.83 0.29 -1.59 -0.85 0.00 0.00 174.74 170.76 2dmd s LYS 10 N 4.74 3.83 0.99 1.40 -2.85 -1.26 -3.82 119.74 122.77 2dmd s LYS 10 Ca 0.29 0.15 -0.12 0.00 -1.00 0.00 0.00 55.97 55.29 2dmd s LYS 10 Cb -0.12 -3.26 0.18 0.00 -2.06 0.00 0.00 37.83 32.57 2dmd s LYS 10 CO 0.11 0.62 1.08 0.00 0.10 0.00 0.00 175.35 177.26 2dmd n GLU 12 N -4.30 3.19 -0.14 0.00 2.13 -1.26 -3.88 120.64 116.39 2dmd n GLU 12 Ca 0.07 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.80 2dmd n GLU 12 Cb 0.54 -0.92 0.06 0.00 0.27 0.00 0.00 31.44 31.39 2dmd n GLU 12 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 2dmd h VAL 13 N 0.00 1.27 0.00 6.31 -1.51 -2.00 -3.38 116.25 116.94 2dmd h VAL 13 Ca 0.00 -1.27 -0.03 0.00 -1.23 0.00 0.00 66.70 64.16 2dmd h VAL 13 Cb 0.83 1.05 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 2dmd h VAL 13 CO 0.00 0.44 -1.12 0.00 -1.23 0.00 0.00 177.57 175.66 2dmd n GLY 15 N 3.35 0.49 3.90 0.00 0.00 -1.25 -5.08 105.19 106.60 2dmd n GLY 15 Ca -0.04 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.37 3.26 -0.12 1.61 2.47 -1.26 -4.87 119.74 120.47 2dmd s LYS 16 Ca 0.00 -0.74 -0.12 0.00 -1.56 0.00 0.00 55.97 53.56 2dmd s LYS 16 Cb 0.00 -2.84 -0.05 0.00 -1.46 0.00 0.00 37.83 33.49 2dmd s LYS 16 CO 0.00 0.48 0.25 0.00 0.16 0.00 0.00 175.35 176.25 2dmd s PHE 18 N -0.29 -0.05 -0.13 0.00 0.08 -1.25 -5.02 117.98 111.32 2dmd s PHE 18 Ca 0.16 0.33 -0.14 0.00 0.12 0.00 0.00 56.93 57.41 2dmd s PHE 18 Cb -0.13 -0.25 -0.11 0.00 -0.57 0.00 0.00 43.02 41.96 2dmd s PHE 18 CO 0.05 -0.16 0.24 1.03 -0.10 0.00 0.00 175.22 176.28 2dmd h SER 19 N 7.69 0.00 -3.02 1.36 0.87 -1.98 -3.26 113.55 115.20 2dmd h SER 19 Ca -0.33 -0.38 -0.61 0.00 -1.23 0.00 0.00 61.79 59.24 2dmd h SER 19 Cb 1.12 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.03 2dmd h SER 19 CO 0.34 0.84 -0.21 -0.13 -0.53 0.00 0.00 176.83 177.14 2dmd s ARG 20 N -1.99 3.89 0.45 2.24 0.52 -1.26 -4.73 118.95 118.06 2dmd s ARG 20 Ca -0.12 0.37 0.30 0.00 -0.52 0.00 0.00 55.73 55.76 2dmd s ARG 20 Cb 0.00 -3.19 1.65 0.00 0.52 0.00 0.00 34.95 33.93 2dmd s ARG 20 CO 0.33 0.67 1.93 1.57 0.02 0.00 0.00 175.30 179.82 2dmd h LYS 21 N 4.57 0.00 0.85 3.54 -0.00 -1.97 -2.83 116.57 120.73 2dmd h LYS 21 Ca -0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.09 2dmd h LYS 21 Cb 1.22 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 33.45 2dmd h LYS 21 CO 0.62 0.00 -0.41 -0.44 -0.00 0.00 0.00 179.45 179.22 2dmd h ASP 22 N 0.00 -0.96 -0.83 7.07 3.32 -1.99 0.13 116.42 123.15 2dmd h ASP 22 Ca 0.00 0.03 0.21 0.00 0.02 0.00 0.00 57.03 57.29 2dmd h ASP 22 Cb 0.01 0.25 -0.13 0.00 0.22 0.00 0.00 39.33 39.68 2dmd h ASP 22 CO 0.00 -0.62 0.21 0.11 -1.72 0.00 0.00 179.24 177.22 2dmd h LYS 23 N -1.28 0.22 -0.04 3.56 6.56 -1.92 -0.37 116.57 123.31 2dmd h LYS 23 Ca -0.12 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.46 2dmd h LYS 23 Cb 0.87 -0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 32.48 2dmd h LYS 23 CO 0.19 0.15 0.01 1.25 -2.06 0.00 0.00 179.45 178.99 2dmd h LEU 24 N 0.23 0.06 -0.45 2.94 7.12 -1.61 -1.00 115.31 122.60 2dmd h LEU 24 Ca 0.50 -0.24 0.04 0.00 0.13 0.00 0.00 57.88 58.31 2dmd h LEU 24 Cb 0.96 -0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 41.02 2dmd h LEU 24 CO -0.61 0.29 -0.26 1.17 -0.13 0.00 0.00 178.44 178.89 2dmd n LYS 25 N -4.93 -0.20 -0.08 1.25 4.81 0.02 -0.49 118.16 118.55 2dmd n LYS 25 Ca -0.07 0.96 -0.14 0.00 -0.87 0.00 0.00 58.31 58.19 2dmd n LYS 25 Cb 0.15 -1.42 -0.05 0.00 0.02 0.00 0.00 35.03 33.73 2dmd n LYS 25 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2dmd h THR 26 N 0.00 1.31 -1.01 3.15 2.02 -1.58 -3.16 112.91 113.64 2dmd h THR 26 Ca 0.07 -1.50 0.37 0.00 0.77 0.00 0.00 66.41 66.13 2dmd h THR 26 Cb 0.18 1.70 -0.12 0.00 -1.74 0.00 0.00 68.15 68.18 2dmd h THR 26 CO -0.42 0.47 0.63 1.57 0.37 0.00 0.00 175.52 178.13 2dmd n HIS 27 N -4.29 0.68 -0.07 3.16 -0.00 0.36 0.22 115.22 115.29 2dmd n HIS 27 Ca -0.05 0.68 -0.12 0.00 -0.00 0.00 0.00 57.72 58.24 2dmd n HIS 27 Cb 0.48 -1.10 -0.05 0.00 -0.00 0.00 0.00 29.99 29.32 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 0.36 -0.84 1.57 2.86 -1.32 -3.09 114.93 114.47 2dmd h MET 28 Ca 0.70 -0.12 0.28 0.00 -2.06 0.00 0.00 59.70 58.50 2dmd h MET 28 Cb 2.13 -0.03 -0.15 0.00 0.06 0.00 0.00 31.60 33.61 2dmd h MET 28 CO -0.45 0.57 0.19 0.54 1.06 0.00 0.00 176.91 178.83 2dmd n ARG 29 N -4.68 -0.06 0.39 1.72 5.12 0.60 -0.31 116.66 119.43 2dmd n ARG 29 Ca -0.04 1.22 -0.15 0.00 -1.93 0.00 0.00 57.85 56.95 2dmd n ARG 29 Cb 0.24 -2.04 -0.07 0.00 -1.16 0.00 0.00 32.46 29.43 2dmd n ARG 29 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dmd n HIS 31 N -4.82 1.67 -0.71 0.00 8.25 0.57 -4.87 115.22 115.30 2dmd n HIS 31 Ca -0.12 0.67 -0.32 0.00 -0.26 0.00 0.00 57.72 57.69 2dmd n HIS 31 Cb 0.39 -2.38 0.15 0.00 1.12 0.00 0.00 29.99 29.27 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 5.52 0.00 0.00 1.59 -2.24 -1.26 -4.98 114.28 112.91 2dmd n THR 32 Ca 0.38 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 2dmd n THR 32 Cb 0.07 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 2dmd n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmd n GLY 33 N 0.77 -2.66 3.44 3.38 0.00 -1.26 -4.98 105.19 103.88 2dmd n GLY 33 Ca 0.10 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 2.92 -0.07 1.61 -7.23 -1.26 -5.04 120.40 111.33 2dmd s VAL 34 Ca 0.00 -0.77 -0.07 0.00 -1.81 0.00 0.00 61.98 59.33 2dmd s VAL 34 Cb 0.00 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.82 2dmd s VAL 34 CO 0.00 0.58 0.20 -0.54 -0.31 0.00 0.00 175.10 175.03 2dmd s LYS 35 N -0.59 0.27 0.05 4.82 -0.14 -1.26 -5.03 119.74 117.87 2dmd s LYS 35 Ca 0.09 0.21 0.16 0.00 -1.36 0.00 0.00 55.97 55.07 2dmd s LYS 35 Cb -0.11 0.13 0.68 0.00 -1.68 0.00 0.00 37.83 36.85 2dmd s LYS 35 CO 0.01 -0.04 1.51 -0.35 -0.76 0.00 0.00 175.35 175.72 2dmd n PRO 36 N 2.79 0.04 -3.63 -1.68 -0.04 -1.26 -4.44 135.00 126.78 2dmd n PRO 36 Ca -0.14 0.29 -0.40 0.00 -0.04 0.00 0.00 63.50 63.22 2dmd n PRO 36 Cb 0.58 -1.58 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 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 -3.07 3.36 -0.08 0.54 2.02 -1.26 -5.05 117.35 113.81 2dmd s TYR 37 Ca 0.06 -1.62 0.01 0.00 -0.37 0.00 0.00 57.07 55.16 2dmd s TYR 37 Cb 0.09 -2.96 0.02 0.00 -0.40 0.00 0.00 41.96 38.71 2dmd s TYR 37 CO 0.29 -0.86 -0.11 0.15 -1.57 0.00 0.00 175.55 173.45 2dmd s LYS 38 N 1.40 1.64 0.37 -0.62 1.02 -1.26 -0.34 119.74 121.95 2dmd s LYS 38 Ca 0.03 -0.36 -0.25 0.00 0.02 0.00 0.00 55.97 55.41 2dmd s LYS 38 Cb -0.23 -1.48 -0.12 0.00 -0.52 0.00 0.00 37.83 35.47 2dmd s LYS 38 CO 0.01 -0.09 0.92 0.00 -0.92 0.00 0.00 175.35 175.28 2dmd h LYS 40 N 1.55 0.07 0.00 0.00 1.63 -2.00 -3.37 116.57 114.46 2dmd h LYS 40 Ca -0.42 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 2dmd h LYS 40 Cb 1.35 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 2dmd h LYS 40 CO 0.57 0.05 -0.38 2.41 -3.45 0.00 0.00 179.45 178.65 2dmd n THR 41 N -5.08 0.90 -0.60 1.00 -1.04 -1.26 -4.98 114.28 103.22 2dmd n THR 41 Ca -0.04 0.31 -0.29 0.00 -2.04 0.00 0.00 64.05 61.99 2dmd n THR 41 Cb 0.06 -2.06 0.23 0.00 -1.82 0.00 0.00 70.33 66.74 2dmd n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dmd n ASP 43 N -4.71 5.05 -4.84 0.00 5.68 -1.26 -4.07 116.55 112.40 2dmd n ASP 43 Ca 0.06 -3.77 -0.35 0.00 -0.50 0.00 0.00 54.79 50.22 2dmd n ASP 43 Cb 0.54 -0.65 -0.06 0.00 -1.14 0.00 0.00 41.12 39.81 2dmd n ASP 43 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2dmd s TYR 44 N -3.56 3.61 -0.16 2.11 5.04 -1.26 -4.95 117.35 118.19 2dmd s TYR 44 Ca 0.54 1.07 -0.03 0.00 -2.44 0.00 0.00 57.07 56.21 2dmd s TYR 44 Cb 0.45 -2.38 -0.02 0.00 0.35 0.00 0.00 41.96 40.35 2dmd s TYR 44 CO 0.02 0.43 -0.05 0.00 -1.34 0.00 0.00 175.55 174.60 2dmd s ALA 45 N -1.46 2.92 -0.10 3.97 0.00 -1.26 -2.69 121.76 123.14 2dmd s ALA 45 Ca 0.38 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.44 2dmd s ALA 45 Cb -0.15 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 2dmd s ALA 45 CO 0.19 0.17 0.05 0.00 0.00 0.00 0.00 175.76 176.17 2dmd s ALA 46 N 0.45 3.49 -0.03 0.00 0.00 0.53 -5.02 121.76 121.18 2dmd s ALA 46 Ca -0.05 -0.75 -0.22 0.00 0.00 0.00 0.00 51.96 50.95 2dmd s ALA 46 Cb -0.15 -1.66 -0.15 0.00 0.00 0.00 0.00 23.12 21.16 2dmd s ALA 46 CO 0.03 0.58 0.98 0.00 0.00 0.00 0.00 175.76 177.35 2dmd h ALA 47 N 5.17 -0.35 -0.54 0.00 0.00 -1.92 -3.35 119.26 118.26 2dmd h ALA 47 Ca -0.52 -0.20 -0.61 0.00 0.00 0.00 0.00 54.91 53.58 2dmd h ALA 47 Cb 1.20 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 2dmd h ALA 47 CO 0.56 -0.44 -0.38 -0.51 0.00 0.00 0.00 179.25 178.48 2dmd s ASP 48 N -5.23 4.47 0.03 0.00 1.01 -1.26 -4.90 116.67 110.78 2dmd s ASP 48 Ca -0.13 -1.37 -0.25 0.00 0.71 0.00 0.00 52.55 51.51 2dmd s ASP 48 Cb 0.01 0.41 -0.14 0.00 1.01 0.00 0.00 42.92 44.22 2dmd s ASP 48 CO 0.47 -1.00 1.26 -1.28 0.21 0.00 0.00 175.17 174.83 2dmd h SER 49 N 0.97 -0.77 -0.67 0.27 0.87 -2.01 -3.11 113.55 109.11 2dmd h SER 49 Ca -0.39 0.03 0.13 0.00 -1.23 0.00 0.00 61.79 60.33 2dmd h SER 49 Cb 1.30 0.20 -0.13 0.00 -0.44 0.00 0.00 62.40 63.34 2dmd h SER 49 CO 0.63 -0.50 -0.16 0.28 -0.53 0.00 0.00 176.83 176.55 2dmd h SER 50 N -1.00 -0.61 -1.32 6.23 0.02 -1.99 0.49 113.55 115.38 2dmd h SER 50 Ca -0.09 0.20 0.38 0.00 -0.84 0.00 0.00 61.79 61.44 2dmd h SER 50 Cb 0.70 0.41 -0.07 0.00 0.14 0.00 0.00 62.40 63.58 2dmd h SER 50 CO 0.15 -0.22 0.92 -1.28 -1.14 0.00 0.00 176.83 175.27 2dmd h SER 51 N 0.00 0.09 0.71 3.07 0.87 -1.96 0.94 113.55 117.27 2dmd h SER 51 Ca 0.32 0.03 -0.26 0.00 -1.23 0.00 0.00 61.79 60.65 2dmd h SER 51 Cb 0.49 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 2dmd h SER 51 CO -0.69 -0.01 -1.34 0.25 -0.53 0.00 0.00 176.83 174.52 2dmd h LEU 52 N 0.07 0.10 -0.47 2.23 5.85 0.02 -3.31 115.31 119.81 2dmd h LEU 52 Ca 0.66 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 59.16 2dmd h LEU 52 Cb 2.45 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 43.42 2dmd h LEU 52 CO -0.09 1.12 -0.01 0.78 -0.34 0.00 0.00 178.44 179.90 2dmd h ASN 53 N 0.02 0.81 0.23 1.25 4.21 0.16 -2.47 115.58 119.79 2dmd h ASN 53 Ca -0.15 -0.31 -0.01 0.00 1.21 0.00 0.00 56.30 57.04 2dmd h ASN 53 Cb 1.91 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 38.89 2dmd h ASN 53 CO 0.12 0.93 -0.05 0.07 -1.29 0.00 0.00 177.43 177.21 2dmd h LYS 54 N 0.68 0.00 0.03 0.81 2.10 -1.25 -2.55 116.57 116.38 2dmd h LYS 54 Ca 0.13 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.64 2dmd h LYS 54 Cb 0.51 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.86 2dmd h LYS 54 CO 0.03 0.05 -0.56 1.25 -2.00 0.00 0.00 179.45 178.22 2dmd h HIS 55 N 0.00 0.51 -0.15 0.07 2.76 -1.54 -3.21 115.15 113.60 2dmd h HIS 55 Ca -0.00 -0.30 0.04 0.00 -2.20 0.00 0.00 60.37 57.91 2dmd h HIS 55 Cb 0.18 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 2dmd h HIS 55 CO 0.00 1.14 0.20 -0.07 -1.30 0.00 0.00 177.93 177.89 2dmd h LEU 56 N -0.25 0.00 0.13 0.26 3.38 -1.13 -2.10 115.31 115.61 2dmd h LEU 56 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2dmd h LEU 56 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2dmd h LEU 56 CO 0.11 0.00 -0.06 0.03 0.09 0.00 0.00 178.44 178.60 2dmd h ARG 57 N 0.00 -0.17 -0.93 1.13 3.08 -1.53 -3.07 114.38 112.88 2dmd h ARG 57 Ca 0.07 0.01 0.27 0.00 0.07 0.00 0.00 59.98 60.40 2dmd h ARG 57 Cb 0.46 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 2dmd h ARG 57 CO -0.00 0.26 1.15 -0.84 -1.07 0.00 0.00 179.97 179.48 2dmd h ILE 58 N -0.71 0.02 -0.60 2.04 -0.00 -1.42 -3.26 117.51 113.58 2dmd h ILE 58 Ca -0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 64.86 64.41 2dmd h ILE 58 Cb 0.52 0.05 -0.05 0.00 -0.00 0.00 0.00 36.82 37.34 2dmd h ILE 58 CO 0.03 0.00 1.38 -1.00 -0.00 0.00 0.00 178.15 178.56 2dmd s HIS 59 N -4.43 2.19 -0.11 0.16 3.76 -1.16 -4.71 115.29 111.00 2dmd s HIS 59 Ca -0.03 -0.14 -0.02 0.00 -0.15 0.00 0.00 55.06 54.72 2dmd s HIS 59 Cb 0.13 -4.23 -0.02 0.00 1.11 0.00 0.00 32.58 29.58 2dmd s HIS 59 CO 0.45 -1.41 0.02 1.03 -0.85 0.00 0.00 174.74 173.98 2dmd h SER 60 N 9.19 0.00 -3.69 1.40 0.87 -1.87 -3.49 113.55 115.96 2dmd h SER 60 Ca 0.28 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.71 2dmd h SER 60 Cb 0.92 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 62.65 2dmd h SER 60 CO 1.29 0.55 -0.09 1.51 -0.53 0.00 0.00 176.83 179.56 2dmd s ASP 61 N -5.61 -0.62 1.18 6.23 1.47 -1.26 -5.16 116.67 112.90 2dmd s ASP 61 Ca -0.03 1.13 -0.17 0.00 1.18 0.00 0.00 52.55 54.66 2dmd s ASP 61 Cb 0.00 1.10 0.21 0.00 -0.34 0.00 0.00 42.92 43.90 2dmd s ASP 61 CO 0.06 -0.20 0.46 -0.62 0.68 0.00 0.00 175.17 175.54 2dmd n GLU 62 N 3.24 -2.46 -3.67 2.11 4.71 -1.26 -5.04 120.64 118.26 2dmd n GLU 62 Ca -0.16 -0.71 -0.13 0.00 -0.01 0.00 0.00 57.16 56.15 2dmd n GLU 62 Cb 0.56 -1.84 -0.13 0.00 -1.01 0.00 0.00 31.44 29.02 2dmd n GLU 62 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2dmd s ARG 63 N -3.94 0.16 0.24 3.49 0.52 -1.26 -4.86 118.95 113.29 2dmd s ARG 63 Ca 0.59 0.72 0.01 0.00 -0.52 0.00 0.00 55.73 56.53 2dmd s ARG 63 Cb -0.15 -0.04 0.26 0.00 0.52 0.00 0.00 34.95 35.54 2dmd s ARG 63 CO 0.61 -0.27 1.61 -1.00 0.02 0.00 0.00 175.30 176.27 2dmd h PRO 64 N 8.14 0.47 -6.26 3.54 0.13 -1.88 -3.44 132.00 132.70 2dmd h PRO 64 Ca -0.18 -0.24 -0.57 0.00 -0.87 0.00 0.00 66.00 64.14 2dmd h PRO 64 Cb 1.12 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 2dmd h PRO 64 CO 0.17 0.81 -0.11 -0.06 -0.23 0.00 0.00 178.00 178.58 2dmd s PHE 65 N -4.17 3.65 0.02 1.56 0.08 -1.23 -5.08 117.98 112.81 2dmd s PHE 65 Ca -0.07 1.06 -0.13 0.00 0.12 0.00 0.00 56.93 57.92 2dmd s PHE 65 Cb 0.12 -2.36 0.02 0.00 -0.57 0.00 0.00 43.02 40.23 2dmd s PHE 65 CO 0.81 0.48 0.27 0.15 -0.10 0.00 0.00 175.22 176.84 2dmd s LYS 66 N -1.74 0.71 0.33 0.44 1.02 -1.26 -3.38 119.74 115.86 2dmd s LYS 66 Ca 0.35 -0.40 0.04 0.00 0.02 0.00 0.00 55.97 55.97 2dmd s LYS 66 Cb -0.16 0.31 -0.02 0.00 -0.52 0.00 0.00 37.83 37.44 2dmd s LYS 66 CO 0.18 -0.21 0.49 0.00 -0.92 0.00 0.00 175.35 174.90 2dmd n GLN 68 N -1.69 0.52 -0.32 0.00 1.13 -1.26 -4.50 117.38 111.26 2dmd n GLN 68 Ca -0.03 0.26 0.17 0.00 -1.94 0.00 0.00 57.00 55.46 2dmd n GLN 68 Cb 0.57 -1.47 0.42 0.00 0.11 0.00 0.00 30.24 29.87 2dmd n GLN 68 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 2dmd h ILE 69 N -1.00 0.63 -3.81 5.09 2.04 -2.01 -3.41 117.51 115.03 2dmd h ILE 69 Ca -0.05 -0.20 -0.37 0.00 1.00 0.00 0.00 64.86 65.25 2dmd h ILE 69 Cb 0.98 0.00 -0.20 0.00 -0.74 0.00 0.00 36.82 36.86 2dmd h ILE 69 CO -0.03 0.10 -0.75 0.00 0.00 0.00 0.00 178.15 177.47 2dmd n PRO 71 N 0.93 0.49 -0.88 0.00 -0.04 -1.26 -4.06 135.00 130.18 2dmd n PRO 71 Ca -0.19 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.91 2dmd n PRO 71 Cb 0.56 -1.27 0.09 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.77 -1.70 -3.61 0.54 9.36 -1.26 -4.79 117.16 114.93 2dmd n TYR 72 Ca 0.06 0.40 -0.13 0.00 3.32 0.00 0.00 57.90 61.56 2dmd n TYR 72 Cb 0.03 -1.47 -0.07 0.00 -0.63 0.00 0.00 39.34 37.21 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 -2.10 -1.84 0.02 2.98 0.00 -1.26 -3.37 121.76 116.19 2dmd s ALA 73 Ca 0.44 1.84 -0.11 0.00 0.00 0.00 0.00 51.96 54.13 2dmd s ALA 73 Cb -0.01 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 22.11 2dmd s ALA 73 CO 0.68 -0.32 0.24 -1.54 0.00 0.00 0.00 175.76 174.82 2dmd s SER 74 N -0.04 -0.05 -0.18 0.00 1.04 -1.22 -5.05 113.70 108.20 2dmd s SER 74 Ca -0.01 -0.20 -0.22 0.00 0.48 0.00 0.00 55.95 55.99 2dmd s SER 74 Cb -0.04 0.30 -0.19 0.00 0.10 0.00 0.00 66.02 66.19 2dmd s SER 74 CO 0.01 -0.52 0.35 0.03 0.98 0.00 0.00 173.24 174.09 2dmd h ARG 75 N 3.61 0.00 -6.78 4.02 2.47 -1.89 -3.26 114.38 112.55 2dmd h ARG 75 Ca -0.31 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.05 2dmd h ARG 75 Cb 1.19 0.00 0.20 0.00 -1.65 0.00 0.00 29.97 29.71 2dmd h ARG 75 CO 0.45 0.89 -0.21 0.09 0.56 0.00 0.00 179.97 181.74 2dmd n ASN 76 N -4.52 -3.47 -0.05 7.04 3.02 -1.26 -4.72 115.26 111.30 2dmd n ASN 76 Ca -0.22 -0.63 -0.08 0.00 -0.03 0.00 0.00 54.58 53.62 2dmd n ASN 76 Cb 0.56 -1.00 -0.03 0.00 -0.61 0.00 0.00 39.78 38.70 2dmd n ASN 76 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2dmd n SER 77 N -4.61 1.65 0.21 6.41 7.64 -1.26 -4.47 113.62 119.19 2dmd n SER 77 Ca 0.09 0.27 0.12 0.00 1.01 0.00 0.00 58.87 60.36 2dmd n SER 77 Cb 0.54 -0.61 0.65 0.00 -1.01 0.00 0.00 64.21 63.78 2dmd n SER 77 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dmd h SER 78 N -0.69 0.00 -0.08 6.43 4.64 -2.00 -1.21 113.55 120.63 2dmd h SER 78 Ca -0.06 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 2dmd h SER 78 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2dmd h SER 78 CO -0.04 0.00 -0.16 1.56 -0.87 0.00 0.00 176.83 177.33 2dmd h GLN 79 N 0.00 0.25 -0.11 4.77 1.08 -1.98 -2.98 115.11 116.15 2dmd h GLN 79 Ca 0.00 -0.16 -0.07 0.00 -1.45 0.00 0.00 58.65 56.97 2dmd h GLN 79 Cb 0.27 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 2dmd h GLN 79 CO 0.00 0.75 -0.27 1.25 -0.95 0.00 0.00 178.83 179.61 2dmd h LEU 80 N -0.22 0.19 0.36 1.46 5.85 -1.44 -1.10 115.31 120.41 2dmd h LEU 80 Ca 0.00 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2dmd h LEU 80 Cb 0.74 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.72 2dmd h LEU 80 CO 0.03 0.46 -0.17 0.74 -0.34 0.00 0.00 178.44 179.17 2dmd h THR 81 N 0.18 0.65 -0.39 1.05 2.02 -1.50 -2.39 112.91 112.52 2dmd h THR 81 Ca 0.03 -0.07 -0.14 0.00 0.77 0.00 0.00 66.41 67.00 2dmd h THR 81 Cb 0.57 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2dmd h THR 81 CO 0.04 0.01 -0.33 0.58 0.37 0.00 0.00 175.52 176.20 2dmd h VAL 82 N -0.52 1.28 -0.39 3.16 2.07 -1.46 -3.21 116.25 117.18 2dmd h VAL 82 Ca -0.05 -1.49 0.08 0.00 0.82 0.00 0.00 66.70 66.06 2dmd h VAL 82 Cb 0.39 1.32 -0.09 0.00 -1.52 0.00 0.00 31.29 31.40 2dmd h VAL 82 CO 0.08 0.50 -0.21 -0.74 0.02 0.00 0.00 177.57 177.22 2dmd h HIS 83 N 0.73 -0.53 -0.65 1.57 6.17 -1.10 -1.19 115.15 120.15 2dmd h HIS 83 Ca 0.07 0.05 0.14 0.00 0.71 0.00 0.00 60.37 61.34 2dmd h HIS 83 Cb 0.89 0.29 -0.11 0.00 2.52 0.00 0.00 27.41 31.01 2dmd h HIS 83 CO 0.05 -0.29 0.03 -0.07 0.71 0.00 0.00 177.93 178.36 2dmd h LEU 84 N -0.14 -0.24 -0.84 0.26 3.38 -1.43 -0.10 115.31 116.21 2dmd h LEU 84 Ca 0.19 0.16 0.21 0.00 0.09 0.00 0.00 57.88 58.53 2dmd h LEU 84 Cb 0.44 0.27 -0.14 0.00 0.09 0.00 0.00 40.66 41.31 2dmd h LEU 84 CO -0.48 -0.11 0.16 0.03 0.09 0.00 0.00 178.44 178.13 2dmd h ARG 85 N 0.14 0.17 -1.04 1.13 3.08 -1.28 0.34 114.38 116.92 2dmd h ARG 85 Ca 0.34 -0.01 0.31 0.00 0.07 0.00 0.00 59.98 60.69 2dmd h ARG 85 Cb 0.57 -0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.44 2dmd h ARG 85 CO -0.54 0.11 0.62 0.77 -1.07 0.00 0.00 179.97 179.87 2dmd h SER 86 N 0.18 0.51 -0.46 7.04 0.02 -0.92 -3.31 113.55 116.61 2dmd h SER 86 Ca 0.50 0.16 -0.17 0.00 -0.84 0.00 0.00 61.79 61.43 2dmd h SER 86 Cb 0.97 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 2dmd h SER 86 CO -0.66 -0.05 0.49 -1.00 -1.14 0.00 0.00 176.83 174.47 2dmd s HIS 87 N -5.62 1.55 -0.38 3.45 3.76 0.12 -4.88 115.29 113.29 2dmd s HIS 87 Ca -0.10 1.26 -0.04 0.00 -0.15 0.00 0.00 55.06 56.04 2dmd s HIS 87 Cb 0.29 -3.74 0.09 0.00 1.11 0.00 0.00 32.58 30.32 2dmd s HIS 87 CO 0.80 -1.40 0.16 0.95 -0.85 0.00 0.00 174.74 174.40 2dmd s THR 88 N 12.79 3.42 0.00 1.30 -4.23 -1.25 -5.03 115.64 122.64 2dmd s THR 88 Ca 0.78 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 2dmd s THR 88 Cb -0.07 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.59 2dmd s THR 88 CO 0.08 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 2dmd n GLY 89 N 4.67 4.57 3.87 3.99 0.00 -1.26 -4.98 105.19 116.05 2dmd n GLY 89 Ca -0.07 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.86 -3.76 1.61 9.92 -1.26 -4.97 116.55 116.22 2dmd n ASP 90 Ca 0.00 -0.89 -0.23 0.00 -0.53 0.00 0.00 54.79 53.14 2dmd n ASP 90 Cb 0.00 -3.60 -0.17 0.00 -0.64 0.00 0.00 41.12 36.71 2dmd n ASP 90 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2dmd s SER 91 N -4.05 1.70 -0.16 -2.24 0.15 -1.26 -4.93 113.70 102.91 2dmd s SER 91 Ca 0.21 -0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.69 2dmd s SER 91 Cb -0.11 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 2dmd s SER 91 CO 0.85 -0.21 0.17 0.61 1.20 0.00 0.00 173.24 175.86 2dmd n GLY 92 N 5.15 -0.64 3.57 9.45 0.00 -1.26 -4.93 105.19 116.53 2dmd n GLY 92 Ca -0.07 0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.48 2.94 -0.63 1.61 0.04 -1.26 -4.94 135.00 130.28 2dmd s PRO 93 Ca 0.02 0.90 -0.27 0.00 0.04 0.00 0.00 61.00 61.68 2dmd s PRO 93 Cb -0.01 -4.29 0.02 0.00 0.04 0.00 0.00 34.50 30.26 2dmd s PRO 93 CO 0.19 -2.34 1.40 -1.54 0.04 0.00 0.00 177.00 174.74 2dmd s SER 94 N 7.06 6.07 -1.78 6.66 1.04 -1.26 -3.97 113.70 127.52 2dmd s SER 94 Ca 0.70 0.03 -0.19 0.00 0.48 0.00 0.00 55.95 56.98 2dmd s SER 94 Cb -0.16 -2.55 0.18 0.00 0.10 0.00 0.00 66.02 63.59 2dmd s SER 94 CO 0.26 -1.81 0.55 -1.54 0.98 0.00 0.00 173.24 171.69 2dmd n SER 95 N 9.76 -1.72 0.00 7.02 3.41 -1.26 -5.29 113.62 125.54 2dmd n SER 95 Ca 0.10 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 2dmd n SER 95 Cb 0.49 -1.91 0.00 0.00 -0.26 0.00 0.00 64.21 62.53 2dmd n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49