#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmd h SER 2 N 0.00 -1.25 -2.26 1.61 0.87 -2.14 -3.39 113.55 106.99 2dmd h SER 2 Ca 0.00 0.30 -0.07 0.00 -1.23 0.00 0.00 61.79 60.79 2dmd h SER 2 Cb 0.00 0.70 -0.26 0.00 -0.44 0.00 0.00 62.40 62.40 2dmd h SER 2 CO 0.00 -0.30 -0.35 -0.94 -0.53 0.00 0.00 176.83 174.71 2dmd s SER 3 N -5.32 -0.37 0.62 6.23 1.04 -1.26 -5.15 113.70 109.49 2dmd s SER 3 Ca -0.14 0.95 -0.19 0.00 0.48 0.00 0.00 55.95 57.06 2dmd s SER 3 Cb 0.22 1.50 -0.02 0.00 0.10 0.00 0.00 66.02 67.82 2dmd s SER 3 CO 0.73 -0.24 1.28 -0.83 0.98 0.00 0.00 173.24 175.16 2dmd s GLY 4 N 2.66 2.84 0.15 7.32 0.00 -1.26 -5.01 107.32 114.01 2dmd s GLY 4 Ca 0.01 1.18 -0.06 0.00 0.00 0.00 0.00 44.72 45.85 2dmd s GLY 4 CO -0.15 1.60 0.40 -0.56 0.00 0.00 0.00 173.10 174.40 2dmd s SER 5 N -1.40 6.52 -0.17 1.64 0.01 -1.26 -5.04 113.70 114.01 2dmd s SER 5 Ca 0.80 0.65 -0.16 0.00 1.31 0.00 0.00 55.95 58.55 2dmd s SER 5 Cb -0.36 -2.11 -0.12 0.00 0.21 0.00 0.00 66.02 63.63 2dmd s SER 5 CO 0.39 0.05 0.13 -1.28 0.41 0.00 0.00 173.24 172.93 2dmd h SER 6 N 2.87 0.00 0.00 2.44 0.87 -2.09 -3.50 113.55 114.14 2dmd h SER 6 Ca -0.46 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 59.75 2dmd h SER 6 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2dmd h SER 6 CO 0.72 1.07 0.00 0.61 -0.53 0.00 0.00 176.83 178.70 2dmd n GLY 7 N 1.56 0.87 2.50 5.77 0.00 -1.26 -5.14 105.19 109.48 2dmd n GLY 7 Ca -0.17 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.56 -4.20 1.61 -0.04 -1.26 -5.06 135.00 123.49 2dmd n PRO 8 Ca 0.00 -1.25 -0.30 0.00 -0.04 0.00 0.00 63.50 61.91 2dmd n PRO 8 Cb 0.00 -1.17 -0.16 0.00 -0.04 0.00 0.00 33.50 32.12 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 -2.41 2.24 -0.02 0.54 3.76 -1.26 -5.08 115.29 113.06 2dmd s HIS 9 Ca 0.51 -1.21 0.03 0.00 -0.15 0.00 0.00 55.06 54.23 2dmd s HIS 9 Cb -0.05 -1.61 -0.00 0.00 1.11 0.00 0.00 32.58 32.02 2dmd s HIS 9 CO 0.39 -0.64 -0.11 0.21 -0.85 0.00 0.00 174.74 173.75 2dmd s LYS 10 N 1.28 0.97 1.08 1.40 2.20 -1.26 -3.94 119.74 121.47 2dmd s LYS 10 Ca 0.01 -0.37 -0.16 0.00 -0.36 0.00 0.00 55.97 55.09 2dmd s LYS 10 Cb -0.14 -0.92 0.18 0.00 -1.51 0.00 0.00 37.83 35.44 2dmd s LYS 10 CO -0.08 0.19 0.30 0.00 -0.36 0.00 0.00 175.35 175.39 2dmd n GLU 12 N -2.22 0.26 -0.18 0.00 0.28 -1.26 -4.26 120.64 113.27 2dmd n GLU 12 Ca 0.05 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.98 2dmd n GLU 12 Cb 0.43 -0.66 0.07 0.00 1.43 0.00 0.00 31.44 32.72 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 1.26 0.00 3.84 -1.51 -2.00 -3.35 116.25 114.49 2dmd h VAL 13 Ca 0.00 -1.11 -0.17 0.00 -1.23 0.00 0.00 66.70 64.20 2dmd h VAL 13 Cb 0.31 0.82 -0.03 0.00 -2.13 0.00 0.00 31.29 30.26 2dmd h VAL 13 CO 0.00 0.40 -1.63 0.00 -1.23 0.00 0.00 177.57 175.11 2dmd n GLY 15 N 2.75 0.85 3.81 0.00 0.00 -1.26 -5.07 105.19 106.28 2dmd n GLY 15 Ca -0.18 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.82 3.82 0.31 1.61 2.20 -1.26 -4.87 119.74 118.72 2dmd s LYS 16 Ca 0.00 -0.03 -0.10 0.00 -0.36 0.00 0.00 55.97 55.48 2dmd s LYS 16 Cb 0.00 -3.29 -0.07 0.00 -1.51 0.00 0.00 37.83 32.97 2dmd s LYS 16 CO 0.00 0.57 0.65 0.00 -0.36 0.00 0.00 175.35 176.20 2dmd s PHE 18 N -2.07 1.23 -0.19 0.00 0.08 -1.25 -5.00 117.98 110.78 2dmd s PHE 18 Ca 0.49 -1.37 -0.17 0.00 0.12 0.00 0.00 56.93 55.99 2dmd s PHE 18 Cb -0.11 -0.42 -0.21 0.00 -0.57 0.00 0.00 43.02 41.72 2dmd s PHE 18 CO 0.26 -0.86 0.22 0.43 -0.10 0.00 0.00 175.22 175.16 2dmd n SER 19 N -0.94 1.93 -4.40 1.36 7.64 -1.26 -4.77 113.62 113.18 2dmd n SER 19 Ca 0.03 0.36 -0.29 0.00 1.01 0.00 0.00 58.87 59.98 2dmd n SER 19 Cb 0.63 -0.93 -0.13 0.00 -1.01 0.00 0.00 64.21 62.78 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 1.49 0.65 1.43 0.52 -1.26 -4.88 118.95 114.48 2dmd s ARG 20 Ca -0.28 -1.30 0.43 0.00 -0.52 0.00 0.00 55.73 54.06 2dmd s ARG 20 Cb 0.07 -1.94 2.27 0.00 0.52 0.00 0.00 34.95 35.87 2dmd s ARG 20 CO 0.63 0.46 2.32 1.57 0.02 0.00 0.00 175.30 180.30 2dmd h LYS 21 N 3.94 0.00 -0.11 3.54 2.10 -1.93 -2.47 116.57 121.64 2dmd h LYS 21 Ca -0.50 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.14 2dmd h LYS 21 Cb 1.17 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2dmd h LYS 21 CO 0.40 0.00 0.04 0.22 -2.00 0.00 0.00 179.45 178.12 2dmd h ASP 22 N 0.00 0.15 -0.82 7.07 3.58 -1.98 -2.63 116.42 121.78 2dmd h ASP 22 Ca -0.00 -0.16 0.15 0.00 0.42 0.00 0.00 57.03 57.44 2dmd h ASP 22 Cb 0.08 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 41.03 2dmd h ASP 22 CO 0.00 0.26 0.54 0.11 -2.88 0.00 0.00 179.24 177.27 2dmd h LYS 23 N 0.02 0.52 -0.15 0.28 1.79 -1.87 -1.46 116.57 115.71 2dmd h LYS 23 Ca 0.04 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2dmd h LYS 23 Cb 0.16 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 2dmd h LYS 23 CO -0.00 0.34 0.05 1.25 -1.08 0.00 0.00 179.45 180.01 2dmd h LEU 24 N 0.54 0.22 0.01 2.94 5.85 -1.55 0.68 115.31 123.99 2dmd h LEU 24 Ca 0.41 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.94 2dmd h LEU 24 Cb 0.81 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 2dmd h LEU 24 CO -0.16 0.37 -0.44 0.11 -0.34 0.00 0.00 178.44 177.98 2dmd h LYS 25 N 0.06 -0.54 -0.24 1.25 1.57 -1.00 -2.06 116.57 115.61 2dmd h LYS 25 Ca 0.05 0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 2dmd h LYS 25 Cb 0.23 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2dmd h LYS 25 CO -0.00 -0.36 -0.35 1.15 -0.57 0.00 0.00 179.45 179.32 2dmd h THR 26 N -0.56 1.29 -0.79 -0.16 2.02 -1.54 -3.13 112.91 110.04 2dmd h THR 26 Ca 0.01 -1.46 0.19 0.00 0.77 0.00 0.00 66.41 65.92 2dmd h THR 26 Cb 0.60 1.48 -0.13 0.00 -1.74 0.00 0.00 68.15 68.36 2dmd h THR 26 CO -0.29 0.46 0.09 -0.74 0.37 0.00 0.00 175.52 175.40 2dmd h HIS 27 N 0.44 0.09 -1.48 3.16 -0.00 0.94 0.51 115.15 118.80 2dmd h HIS 27 Ca 0.05 0.05 0.43 0.00 -0.00 0.00 0.00 60.37 60.90 2dmd h HIS 27 Cb 0.81 0.09 -0.06 0.00 -0.00 0.00 0.00 27.41 28.24 2dmd h HIS 27 CO 0.03 -0.22 1.06 0.52 -0.00 0.00 0.00 177.93 179.32 2dmd h MET 28 N 0.15 0.02 -0.96 5.26 2.86 -1.33 -0.68 114.93 120.25 2dmd h MET 28 Ca 0.45 -0.00 0.25 0.00 -2.06 0.00 0.00 59.70 58.34 2dmd h MET 28 Cb 0.84 -0.00 -0.18 0.00 0.06 0.00 0.00 31.60 32.31 2dmd h MET 28 CO -0.65 0.01 -0.04 0.54 1.06 0.00 0.00 176.91 177.83 2dmd n ARG 29 N -4.13 -0.08 -0.26 1.72 1.74 0.18 0.13 116.66 115.96 2dmd n ARG 29 Ca 0.33 1.44 0.05 0.00 -0.77 0.00 0.00 57.85 58.90 2dmd n ARG 29 Cb 1.53 -2.26 0.18 0.00 -1.02 0.00 0.00 32.46 30.89 2dmd n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dmd s HIS 31 N -6.02 2.59 -0.17 0.00 3.76 0.35 -5.09 115.29 110.71 2dmd s HIS 31 Ca -0.12 0.85 -0.06 0.00 -0.15 0.00 0.00 55.06 55.58 2dmd s HIS 31 Cb 0.20 -3.39 0.08 0.00 1.11 0.00 0.00 32.58 30.58 2dmd s HIS 31 CO 0.76 -2.26 0.35 0.99 -0.85 0.00 0.00 174.74 173.73 2dmd s THR 32 N -3.31 -0.55 -1.30 1.30 2.01 -1.26 -5.00 115.64 107.53 2dmd s THR 32 Ca 0.63 0.19 -0.17 0.00 0.31 0.00 0.00 61.69 62.66 2dmd s THR 32 Cb -0.14 -0.59 0.09 0.00 0.01 0.00 0.00 72.50 71.86 2dmd s THR 32 CO 0.53 0.07 1.74 0.61 -0.69 0.00 0.00 174.62 176.88 2dmd n GLY 33 N 5.37 2.91 0.23 4.40 0.00 -1.26 -4.74 105.19 112.10 2dmd n GLY 33 Ca -0.07 -1.58 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 2dmd n GLY 33 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2dmd h VAL 34 N 5.25 1.30 -0.43 1.61 -1.51 -2.00 -3.44 116.25 117.04 2dmd h VAL 34 Ca 0.44 -1.65 -0.70 0.00 -1.23 0.00 0.00 66.70 63.56 2dmd h VAL 34 Cb 0.85 1.60 -0.04 0.00 -2.13 0.00 0.00 31.29 31.57 2dmd h VAL 34 CO 1.47 0.52 1.40 0.29 -1.23 0.00 0.00 177.57 180.02 2dmd n LYS 35 N -4.01 0.42 -0.03 5.19 4.01 -1.26 -4.82 118.16 117.65 2dmd n LYS 35 Ca -0.02 0.11 -0.13 0.00 -0.51 0.00 0.00 58.31 57.75 2dmd n LYS 35 Cb 0.55 -1.90 -0.09 0.00 -0.51 0.00 0.00 35.03 33.09 2dmd n LYS 35 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2dmd h PRO 36 N 10.74 0.13 -5.32 1.97 0.13 -1.86 -3.42 132.00 134.38 2dmd h PRO 36 Ca -0.16 -0.07 -0.12 0.00 -0.87 0.00 0.00 66.00 64.78 2dmd h PRO 36 Cb 1.37 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.49 2dmd h PRO 36 CO 1.09 0.58 0.54 0.66 -0.23 0.00 0.00 178.00 180.65 2dmd n TYR 37 N -4.75 1.02 -4.64 1.56 4.01 -1.22 -4.88 117.16 108.26 2dmd n TYR 37 Ca -0.08 0.01 -0.25 0.00 -0.16 0.00 0.00 57.90 57.43 2dmd n TYR 37 Cb 0.29 -2.32 -0.14 0.00 -0.31 0.00 0.00 39.34 36.86 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 8.58 1.34 0.67 -0.72 1.02 -1.26 -1.70 119.74 127.67 2dmd s LYS 38 Ca 1.00 -0.86 -0.16 0.00 0.02 0.00 0.00 55.97 55.97 2dmd s LYS 38 Cb -0.27 -1.40 0.01 0.00 -0.52 0.00 0.00 37.83 35.65 2dmd s LYS 38 CO 0.18 0.36 1.19 0.00 -0.92 0.00 0.00 175.35 176.17 2dmd h LYS 40 N 0.15 0.10 0.00 0.00 1.79 -2.00 -3.38 116.57 113.24 2dmd h LYS 40 Ca -0.48 -0.08 -0.24 0.00 -2.18 0.00 0.00 60.65 57.67 2dmd h LYS 40 Cb 1.29 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.92 2dmd h LYS 40 CO 0.52 0.71 -1.80 -2.37 -1.08 0.00 0.00 179.45 175.43 2dmd n THR 41 N -3.81 0.79 -1.63 -0.16 5.66 -1.26 -5.04 114.28 108.83 2dmd n THR 41 Ca -0.02 -0.21 -0.30 0.00 -3.05 0.00 0.00 64.05 60.47 2dmd n THR 41 Cb 0.64 -1.63 0.07 0.00 -1.55 0.00 0.00 70.33 67.86 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 -3.25 3.83 -4.78 0.00 9.92 -1.26 -3.86 116.55 117.15 2dmd n ASP 43 Ca 0.07 -3.54 -0.33 0.00 -0.53 0.00 0.00 54.79 50.46 2dmd n ASP 43 Cb 0.56 -0.79 0.04 0.00 -0.64 0.00 0.00 41.12 40.28 2dmd n ASP 43 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2dmd s TYR 44 N -3.23 2.71 0.08 1.24 5.04 -1.26 -4.93 117.35 117.00 2dmd s TYR 44 Ca 0.55 1.54 0.05 0.00 -2.44 0.00 0.00 57.07 56.77 2dmd s TYR 44 Cb 0.46 -3.14 -0.03 0.00 0.35 0.00 0.00 41.96 39.60 2dmd s TYR 44 CO 0.10 -1.56 -0.13 0.00 -1.34 0.00 0.00 175.55 172.63 2dmd s ALA 45 N -2.33 1.16 -0.15 3.97 0.00 -1.26 -3.54 121.76 119.61 2dmd s ALA 45 Ca 0.66 -1.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.38 2dmd s ALA 45 Cb -0.20 -0.06 0.05 0.00 0.00 0.00 0.00 23.12 22.91 2dmd s ALA 45 CO 0.40 0.10 0.48 0.00 0.00 0.00 0.00 175.76 176.73 2dmd s ALA 46 N -1.67 -1.19 -0.10 0.00 0.00 -0.69 -4.95 121.76 113.16 2dmd s ALA 46 Ca 0.01 1.24 -0.22 0.00 0.00 0.00 0.00 51.96 52.99 2dmd s ALA 46 Cb -0.08 -0.64 -0.28 0.00 0.00 0.00 0.00 23.12 22.13 2dmd s ALA 46 CO 0.02 -0.24 0.70 0.00 0.00 0.00 0.00 175.76 176.24 2dmd h ALA 47 N 5.04 0.04 -1.69 0.00 0.00 -1.94 -3.23 119.26 117.49 2dmd h ALA 47 Ca -0.28 -0.81 -0.44 0.00 0.00 0.00 0.00 54.91 53.38 2dmd h ALA 47 Cb 1.17 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2dmd h ALA 47 CO 0.24 0.44 -0.33 -0.51 0.00 0.00 0.00 179.25 179.08 2dmd s ASP 48 N -6.79 5.76 0.02 0.00 1.01 -1.26 -4.86 116.67 110.55 2dmd s ASP 48 Ca -0.18 -0.32 -0.22 0.00 0.71 0.00 0.00 52.55 52.54 2dmd s ASP 48 Cb 0.01 -1.01 -0.12 0.00 1.01 0.00 0.00 42.92 42.81 2dmd s ASP 48 CO 0.75 -0.52 1.08 -1.28 0.21 0.00 0.00 175.17 175.41 2dmd h SER 49 N 0.87 -0.68 -0.80 0.27 0.87 -2.01 -3.21 113.55 108.88 2dmd h SER 49 Ca -0.44 0.02 0.19 0.00 -1.23 0.00 0.00 61.79 60.33 2dmd h SER 49 Cb 1.26 0.17 -0.14 0.00 -0.44 0.00 0.00 62.40 63.26 2dmd h SER 49 CO 0.52 -0.38 0.03 0.28 -0.53 0.00 0.00 176.83 176.74 2dmd h SER 50 N -1.00 -0.33 -1.10 6.23 0.02 -1.98 0.42 113.55 115.81 2dmd h SER 50 Ca -0.08 0.21 0.34 0.00 -0.84 0.00 0.00 61.79 61.41 2dmd h SER 50 Cb 0.61 0.35 -0.13 0.00 0.14 0.00 0.00 62.40 63.38 2dmd h SER 50 CO 0.13 -0.19 0.68 0.28 -1.14 0.00 0.00 176.83 176.59 2dmd h SER 51 N 0.11 0.43 0.09 3.07 0.02 -1.97 0.40 113.55 115.69 2dmd h SER 51 Ca 0.45 0.14 -0.15 0.00 -0.84 0.00 0.00 61.79 61.38 2dmd h SER 51 Cb 0.81 0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.46 2dmd h SER 51 CO -0.70 -0.08 -0.72 0.25 -1.14 0.00 0.00 176.83 174.45 2dmd h LEU 52 N 0.29 0.31 -1.69 5.07 5.85 -0.21 -3.30 115.31 121.63 2dmd h LEU 52 Ca 0.72 -0.93 0.33 0.00 0.84 0.00 0.00 57.88 58.83 2dmd h LEU 52 Cb 1.86 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.75 2dmd h LEU 52 CO -0.46 1.33 0.99 0.78 -0.34 0.00 0.00 178.44 180.75 2dmd h ASN 53 N -0.56 0.00 -0.24 1.25 4.21 0.11 0.88 115.58 121.24 2dmd h ASN 53 Ca -0.14 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.20 2dmd h ASN 53 Cb 1.48 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.68 2dmd h ASN 53 CO 0.08 0.00 -0.53 0.50 -1.29 0.00 0.00 177.43 176.19 2dmd h LYS 54 N 0.00 0.77 -0.37 0.81 1.63 -1.47 -3.15 116.57 114.79 2dmd h LYS 54 Ca 0.53 -0.52 -0.04 0.00 -0.85 0.00 0.00 60.65 59.78 2dmd h LYS 54 Cb 2.51 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 34.20 2dmd h LYS 54 CO -0.01 1.14 0.07 1.25 -3.45 0.00 0.00 179.45 178.46 2dmd h HIS 55 N 0.51 0.64 -0.55 1.91 2.76 0.64 -3.07 115.15 118.00 2dmd h HIS 55 Ca 0.00 -0.09 0.11 0.00 -2.20 0.00 0.00 60.37 58.20 2dmd h HIS 55 Cb 1.14 -0.18 -0.10 0.00 1.55 0.00 0.00 27.41 29.82 2dmd h HIS 55 CO 0.08 0.65 -0.05 -0.07 -1.30 0.00 0.00 177.93 177.24 2dmd h LEU 56 N 0.46 -0.33 -0.84 0.26 3.38 -1.45 -0.47 115.31 116.31 2dmd h LEU 56 Ca 0.11 0.15 0.21 0.00 0.09 0.00 0.00 57.88 58.44 2dmd h LEU 56 Cb 0.34 0.27 -0.13 0.00 0.09 0.00 0.00 40.66 41.24 2dmd h LEU 56 CO 0.01 -0.13 0.21 0.03 0.09 0.00 0.00 178.44 178.65 2dmd h ARG 57 N 0.07 0.22 -0.77 1.13 3.08 -1.49 0.11 114.38 116.73 2dmd h ARG 57 Ca 0.28 -0.01 0.29 0.00 0.07 0.00 0.00 59.98 60.61 2dmd h ARG 57 Cb 0.43 -0.05 -0.14 0.00 0.08 0.00 0.00 29.97 30.29 2dmd h ARG 57 CO -0.50 0.14 0.30 1.51 -1.07 0.00 0.00 179.97 180.35 2dmd n ILE 58 N -5.21 -0.32 -2.78 2.04 3.06 -0.18 -2.79 119.36 113.17 2dmd n ILE 58 Ca 0.19 1.60 -0.43 0.00 -2.50 0.00 0.00 62.75 61.61 2dmd n ILE 58 Cb 0.61 -2.52 -0.02 0.00 0.54 0.00 0.00 39.64 38.25 2dmd n ILE 58 CO 0.00 0.00 0.00 -1.00 -2.50 0.00 0.00 176.55 173.05 2dmd s HIS 59 N -5.32 2.98 -0.29 9.51 0.09 0.03 -4.98 115.29 117.30 2dmd s HIS 59 Ca -0.08 -1.40 -0.21 0.00 -0.00 0.00 0.00 55.06 53.37 2dmd s HIS 59 Cb 0.25 -4.46 -0.01 0.00 -0.00 0.00 0.00 32.58 28.36 2dmd s HIS 59 CO 0.60 -1.64 0.67 0.45 -0.00 0.00 0.00 174.74 174.83 2dmd s SER 60 N 3.94 6.56 0.20 1.40 0.15 -1.12 -4.95 113.70 119.89 2dmd s SER 60 Ca 0.41 0.55 -0.11 0.00 0.70 0.00 0.00 55.95 57.50 2dmd s SER 60 Cb -0.02 -2.35 0.15 0.00 -1.71 0.00 0.00 66.02 62.09 2dmd s SER 60 CO -0.06 -0.49 1.86 0.44 1.20 0.00 0.00 173.24 176.18 2dmd h ASP 61 N 8.10 0.74 -1.60 5.45 5.19 -1.94 -3.42 116.42 128.94 2dmd h ASP 61 Ca -0.26 -0.01 -0.72 0.00 -0.62 0.00 0.00 57.03 55.42 2dmd h ASP 61 Cb 1.11 -0.17 0.03 0.00 0.18 0.00 0.00 39.33 40.47 2dmd h ASP 61 CO 0.82 0.52 0.79 1.21 -3.12 0.00 0.00 179.24 179.46 2dmd n GLU 62 N -4.64 1.20 -1.09 3.56 0.00 -1.26 -4.57 120.64 113.83 2dmd n GLU 62 Ca 0.06 0.44 -0.27 0.00 0.00 0.00 0.00 57.16 57.39 2dmd n GLU 62 Cb 0.05 -2.12 -0.12 0.00 0.00 0.00 0.00 31.44 29.25 2dmd n GLU 62 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2dmd n ARG 63 N 4.63 0.00 -0.09 5.31 1.85 -1.26 -4.75 116.66 122.36 2dmd n ARG 63 Ca 0.24 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.96 2dmd n ARG 63 Cb 0.15 -1.01 -0.04 0.00 -1.05 0.00 0.00 32.46 30.51 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 8.56 0.67 -6.37 2.89 0.13 -1.81 -3.43 132.00 132.65 2dmd h PRO 64 Ca -0.02 -0.36 -0.53 0.00 -0.87 0.00 0.00 66.00 64.22 2dmd h PRO 64 Cb 0.92 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.09 2dmd h PRO 64 CO 1.05 0.96 1.21 -0.06 -0.23 0.00 0.00 178.00 180.93 2dmd s PHE 65 N -4.35 1.42 0.07 1.56 0.08 -1.19 -4.95 117.98 110.62 2dmd s PHE 65 Ca -0.12 -0.38 0.06 0.00 0.12 0.00 0.00 56.93 56.61 2dmd s PHE 65 Cb 0.08 -4.22 -0.03 0.00 -0.57 0.00 0.00 43.02 38.28 2dmd s PHE 65 CO 0.82 -5.41 -0.17 0.15 -0.10 0.00 0.00 175.22 170.51 2dmd s LYS 66 N 4.23 0.97 0.06 0.44 1.02 -1.26 -1.62 119.74 123.58 2dmd s LYS 66 Ca 0.87 -0.97 -0.09 0.00 0.02 0.00 0.00 55.97 55.80 2dmd s LYS 66 Cb -0.43 -1.06 -0.05 0.00 -0.52 0.00 0.00 37.83 35.77 2dmd s LYS 66 CO 0.40 0.25 0.37 0.00 -0.92 0.00 0.00 175.35 175.45 2dmd h GLN 68 N 3.83 -0.18 -0.22 0.00 7.50 -1.98 -3.37 115.11 120.68 2dmd h GLN 68 Ca -0.49 0.01 0.05 0.00 0.50 0.00 0.00 58.65 58.72 2dmd h GLN 68 Cb 1.20 0.04 -0.07 0.00 0.05 0.00 0.00 27.48 28.69 2dmd h GLN 68 CO 0.66 0.06 -0.41 0.82 -1.50 0.00 0.00 178.83 178.46 2dmd h ILE 69 N -1.01 0.15 -3.17 2.54 2.04 -2.00 -3.42 117.51 112.64 2dmd h ILE 69 Ca -0.02 0.00 -0.64 0.00 1.00 0.00 0.00 64.86 65.21 2dmd h ILE 69 Cb 0.31 0.15 -0.14 0.00 -0.74 0.00 0.00 36.82 36.40 2dmd h ILE 69 CO 0.03 0.00 -0.72 0.00 0.00 0.00 0.00 178.15 177.46 2dmd n PRO 71 N 0.23 0.49 -0.78 0.00 -0.04 -1.26 -3.91 135.00 129.74 2dmd n PRO 71 Ca -0.11 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.00 2dmd n PRO 71 Cb 0.54 -1.30 0.13 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 -0.80 -1.53 -3.62 0.54 9.36 -1.26 -4.77 117.16 115.08 2dmd n TYR 72 Ca 0.07 0.27 -0.12 0.00 3.32 0.00 0.00 57.90 61.44 2dmd n TYR 72 Cb 0.03 -1.53 -0.07 0.00 -0.63 0.00 0.00 39.34 37.15 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 -1.86 0.15 2.98 0.00 -1.26 -2.94 121.76 116.66 2dmd s ALA 73 Ca 0.50 1.88 0.01 0.00 0.00 0.00 0.00 51.96 54.36 2dmd s ALA 73 Cb -0.07 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 2dmd s ALA 73 CO 0.67 -0.30 0.02 -1.12 0.00 0.00 0.00 175.76 175.02 2dmd s SER 74 N 0.09 0.90 -0.22 0.00 0.01 -0.64 -5.03 113.70 108.82 2dmd s SER 74 Ca -0.00 -1.18 -0.11 0.00 1.31 0.00 0.00 55.95 55.97 2dmd s SER 74 Cb -0.04 0.18 -0.18 0.00 0.21 0.00 0.00 66.02 66.18 2dmd s SER 74 CO -0.01 -0.62 0.00 -1.14 0.41 0.00 0.00 173.24 171.89 2dmd n ARG 75 N -0.18 0.64 -2.57 12.44 0.63 -1.26 -3.14 116.66 123.22 2dmd n ARG 75 Ca -0.06 0.33 -0.25 0.00 -0.92 0.00 0.00 57.85 56.94 2dmd n ARG 75 Cb 0.63 -1.62 0.03 0.00 0.45 0.00 0.00 32.46 31.95 2dmd n ARG 75 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2dmd s ASN 76 N -7.01 5.55 -0.08 6.15 3.84 -1.26 -4.77 114.94 117.36 2dmd s ASN 76 Ca -0.31 0.49 -0.25 0.00 0.21 0.00 0.00 52.86 53.00 2dmd s ASN 76 Cb 0.09 -1.51 -0.28 0.00 -0.55 0.00 0.00 41.25 39.00 2dmd s ASN 76 CO 0.61 -1.02 0.87 0.28 -2.79 0.00 0.00 177.10 175.05 2dmd h SER 77 N -0.03 0.27 -0.88 -4.21 0.02 -2.00 -3.27 113.55 103.46 2dmd h SER 77 Ca -0.45 -0.95 0.13 0.00 -0.84 0.00 0.00 61.79 59.68 2dmd h SER 77 Cb 1.27 -0.09 -0.09 0.00 0.14 0.00 0.00 62.40 63.63 2dmd h SER 77 CO 0.59 1.20 0.49 0.28 -1.14 0.00 0.00 176.83 178.25 2dmd h SER 78 N -0.61 0.65 -0.67 3.07 0.02 -1.98 0.19 113.55 114.21 2dmd h SER 78 Ca -0.08 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2dmd h SER 78 Cb 1.33 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.78 2dmd h SER 78 CO 0.09 0.31 0.41 1.56 -1.14 0.00 0.00 176.83 178.05 2dmd h GLN 79 N 0.73 0.76 -0.15 3.45 4.20 -1.98 0.72 115.11 122.84 2dmd h GLN 79 Ca 0.46 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 59.00 2dmd h GLN 79 Cb 0.57 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2dmd h GLN 79 CO -0.32 0.50 -0.38 1.25 -0.67 0.00 0.00 178.83 179.21 2dmd h LEU 80 N 0.78 0.58 -0.23 1.46 5.85 -1.22 -2.61 115.31 119.93 2dmd h LEU 80 Ca 0.28 -0.58 0.02 0.00 0.84 0.00 0.00 57.88 58.44 2dmd h LEU 80 Cb 0.08 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2dmd h LEU 80 CO -0.13 1.06 0.08 0.74 -0.34 0.00 0.00 178.44 179.85 2dmd h THR 81 N 0.13 0.94 -0.50 1.05 2.02 -0.38 0.31 112.91 116.48 2dmd h THR 81 Ca -0.01 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 2dmd h THR 81 Cb 0.99 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 2dmd h THR 81 CO 0.08 0.03 0.22 1.62 0.37 0.00 0.00 175.52 177.84 2dmd h VAL 82 N 0.18 1.18 0.00 3.16 3.04 -0.92 -2.04 116.25 120.86 2dmd h VAL 82 Ca 0.10 -0.53 -0.15 0.00 -1.01 0.00 0.00 66.70 65.10 2dmd h VAL 82 Cb 0.07 0.56 -0.02 0.00 -2.01 0.00 0.00 31.29 29.89 2dmd h VAL 82 CO -0.11 0.21 -0.72 -0.74 -1.01 0.00 0.00 177.57 175.21 2dmd h HIS 83 N 0.71 0.00 0.46 3.17 -0.00 -0.99 -3.29 115.15 115.21 2dmd h HIS 83 Ca 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.52 2dmd h HIS 83 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.53 2dmd h HIS 83 CO 0.01 0.72 -0.22 -0.07 -0.00 0.00 0.00 177.93 178.37 2dmd h LEU 84 N 0.00 -0.52 -1.73 0.26 3.38 0.31 -2.91 115.31 114.11 2dmd h LEU 84 Ca -0.01 0.02 0.46 0.00 0.09 0.00 0.00 57.88 58.44 2dmd h LEU 84 Cb 1.35 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 42.14 2dmd h LEU 84 CO 0.09 -0.33 1.05 0.08 0.09 0.00 0.00 178.44 179.42 2dmd h ARG 85 N -0.70 0.05 -0.66 1.13 0.11 -1.62 0.56 114.38 113.26 2dmd h ARG 85 Ca -0.06 -0.00 0.09 0.00 0.10 0.00 0.00 59.98 60.11 2dmd h ARG 85 Cb 0.47 -0.01 -0.07 0.00 1.11 0.00 0.00 29.97 31.47 2dmd h ARG 85 CO 0.10 0.03 0.29 1.03 0.10 0.00 0.00 179.97 181.53 2dmd h SER 86 N 0.05 0.35 -0.06 0.08 0.87 -1.58 -3.33 113.55 109.93 2dmd h SER 86 Ca 0.81 0.07 -0.14 0.00 -1.23 0.00 0.00 61.79 61.29 2dmd h SER 86 Cb 2.91 0.02 0.04 0.00 -0.44 0.00 0.00 62.40 64.92 2dmd h SER 86 CO -0.19 0.20 0.36 1.41 -0.53 0.00 0.00 176.83 178.08 2dmd n HIS 87 N -4.93 0.65 -3.50 2.24 8.25 0.20 -4.74 115.22 113.38 2dmd n HIS 87 Ca 0.10 -0.24 -0.16 0.00 -0.26 0.00 0.00 57.72 57.16 2dmd n HIS 87 Cb 0.27 -2.09 -0.05 0.00 1.12 0.00 0.00 29.99 29.24 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 14.43 0.00 0.00 1.59 -1.32 -1.25 -5.06 115.64 124.03 2dmd s THR 88 Ca 0.76 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.24 2dmd s THR 88 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2dmd s THR 88 CO 0.22 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.24 2dmd n GLY 89 N 0.59 -0.07 3.30 6.08 0.00 -1.26 -5.14 105.19 108.69 2dmd n GLY 89 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 2dmd n GLY 89 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dmd s ASP 90 N -1.67 2.92 0.04 1.61 1.01 -1.26 -5.12 116.67 114.19 2dmd s ASP 90 Ca 0.00 -0.50 -0.27 0.00 0.71 0.00 0.00 52.55 52.49 2dmd s ASP 90 Cb 0.00 -0.30 0.09 0.00 1.01 0.00 0.00 42.92 43.73 2dmd s ASP 90 CO 0.00 0.27 1.21 -0.55 0.21 0.00 0.00 175.17 176.32 2dmd s SER 91 N -0.84 -0.02 0.00 0.27 0.15 -1.26 -5.19 113.70 106.81 2dmd s SER 91 Ca 0.10 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2dmd s SER 91 Cb -0.10 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2dmd s SER 91 CO 0.00 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.57 2dmd n GLY 92 N -0.75 2.39 3.60 9.45 0.00 -1.26 -5.11 105.19 113.52 2dmd n GLY 92 Ca -0.01 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.55 3.45 0.29 1.61 0.04 -1.26 -4.96 135.00 132.62 2dmd s PRO 93 Ca 0.00 1.35 -0.07 0.00 0.04 0.00 0.00 61.00 62.31 2dmd s PRO 93 Cb 0.00 -4.14 -0.00 0.00 0.04 0.00 0.00 34.50 30.40 2dmd s PRO 93 CO 0.00 -1.72 0.46 -1.54 0.04 0.00 0.00 177.00 174.24 2dmd s SER 94 N 5.36 0.36 -0.83 6.66 1.04 -1.26 -4.95 113.70 120.08 2dmd s SER 94 Ca 0.75 -1.22 -0.04 0.00 0.48 0.00 0.00 55.95 55.92 2dmd s SER 94 Cb -0.21 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2dmd s SER 94 CO 0.33 -1.20 0.72 -0.24 0.98 0.00 0.00 173.24 173.82 2dmd n SER 95 N -0.85 -3.76 0.00 7.02 2.88 -1.26 -5.32 113.62 112.33 2dmd n SER 95 Ca -0.00 -0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.17 2dmd n SER 95 Cb 0.62 -3.43 0.00 0.00 -0.75 0.00 0.00 64.21 60.65 2dmd n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42