#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwe s ALA 23 N 0.00 2.46 0.09 -1.46 0.00 -1.26 -4.90 121.76 116.69 2dwe s ALA 23 Ca 0.00 0.67 -0.24 0.00 0.00 0.00 0.00 51.96 52.39 2dwe s ALA 23 Cb 0.00 -3.35 -0.15 0.00 0.00 0.00 0.00 23.12 19.62 2dwe s ALA 23 CO 0.00 -1.27 1.73 1.25 0.00 0.00 0.00 175.76 177.47 2dwe h LEU 24 N 0.23 -0.06 -1.19 0.00 5.85 -2.05 -2.13 115.31 115.95 2dwe h LEU 24 Ca -0.48 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.41 2dwe h LEU 24 Cb 1.26 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.23 2dwe h LEU 24 CO 0.54 -0.04 0.60 1.12 -0.34 0.00 0.00 178.44 180.32 2dwe h HIS 25 N -0.06 0.91 -0.11 1.25 2.07 -1.96 0.70 115.15 117.94 2dwe h HIS 25 Ca -0.00 0.03 -0.19 0.00 -2.85 0.00 0.00 60.37 57.36 2dwe h HIS 25 Cb 0.06 -0.28 -0.00 0.00 2.57 0.00 0.00 27.41 29.75 2dwe h HIS 25 CO -0.08 0.29 -0.70 -1.49 -3.07 0.00 0.00 177.93 172.87 2dwe h TRP 26 N 0.73 0.66 -0.47 6.12 -0.00 -1.89 0.65 115.95 121.75 2dwe h TRP 26 Ca 0.50 -0.28 -0.13 0.00 -0.00 0.00 0.00 58.89 58.98 2dwe h TRP 26 Cb 0.79 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.16 29.83 2dwe h TRP 26 CO -0.00 1.05 -0.20 0.00 -0.00 0.00 0.00 178.44 179.28 2dwe h ARG 27 N 0.35 0.95 -0.62 0.49 2.47 -0.42 -1.78 114.38 115.82 2dwe h ARG 27 Ca -0.03 -0.39 -0.08 0.00 -1.26 0.00 0.00 59.98 58.22 2dwe h ARG 27 Cb 1.28 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.54 2dwe h ARG 27 CO 0.13 1.06 0.09 0.00 0.56 0.00 0.00 179.97 181.81 2dwe h ALA 28 N 0.93 0.83 0.37 0.04 0.00 0.49 -0.15 119.26 121.77 2dwe h ALA 28 Ca 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2dwe h ALA 28 Cb 0.76 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2dwe h ALA 28 CO 0.06 0.59 -0.28 0.00 0.00 0.00 0.00 179.25 179.63 2dwe h ALA 29 N 1.02 -0.64 0.16 0.00 0.00 -0.57 0.25 119.26 119.48 2dwe h ALA 29 Ca 0.19 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2dwe h ALA 29 Cb 0.44 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2dwe h ALA 29 CO 0.01 -0.88 -0.41 0.78 0.00 0.00 0.00 179.25 178.75 2dwe h GLY 30 N -0.64 -0.86 0.16 0.00 0.00 -1.16 0.43 103.07 101.00 2dwe h GLY 30 Ca -0.03 0.49 0.12 0.00 0.00 0.00 0.00 47.33 47.91 2dwe h GLY 30 CO -0.00 -0.28 0.17 0.00 0.00 0.00 0.00 176.54 176.44 2dwe h ALA 31 N -0.21 0.81 -0.87 3.60 0.00 -0.89 0.12 119.26 121.82 2dwe h ALA 31 Ca 0.01 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2dwe h ALA 31 Cb 0.68 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 2dwe h ALA 31 CO -0.21 -0.28 0.54 0.00 0.00 0.00 0.00 179.25 179.30 2dwe h ALA 32 N 1.50 1.20 -0.47 0.00 0.00 0.31 0.65 119.26 122.46 2dwe h ALA 32 Ca 0.35 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 2dwe h ALA 32 Cb 0.52 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2dwe h ALA 32 CO -0.41 0.30 -0.18 1.15 0.00 0.00 0.00 179.25 180.11 2dwe h THR 33 N 1.00 1.27 -0.13 0.00 2.02 0.13 -0.88 112.91 116.32 2dwe h THR 33 Ca 0.38 -1.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.21 2dwe h THR 33 Cb 0.16 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2dwe h THR 33 CO -0.17 0.46 -0.01 0.58 0.37 0.00 0.00 175.52 176.75 2dwe h VAL 34 N 0.81 1.26 -0.38 3.16 2.07 -0.12 -1.86 116.25 121.19 2dwe h VAL 34 Ca 0.12 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 2dwe h VAL 34 Cb 0.73 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2dwe h VAL 34 CO 0.06 0.25 0.06 -0.07 0.02 0.00 0.00 177.57 177.89 2dwe h LEU 35 N -0.05 0.52 -0.35 2.57 3.38 -0.85 -1.87 115.31 118.67 2dwe h LEU 35 Ca 0.04 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2dwe h LEU 35 Cb 0.39 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2dwe h LEU 35 CO 0.01 0.55 -0.10 0.25 0.09 0.00 0.00 178.44 179.24 2dwe h LEU 36 N 0.55 0.70 -1.58 1.67 5.85 -1.02 0.40 115.31 121.89 2dwe h LEU 36 Ca 0.13 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2dwe h LEU 36 Cb 0.26 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2dwe h LEU 36 CO 0.00 0.91 0.19 0.58 -0.34 0.00 0.00 178.44 179.78 2dwe h VAL 37 N 0.48 1.11 0.34 1.05 2.07 -1.01 0.11 116.25 120.41 2dwe h VAL 37 Ca 0.09 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 2dwe h VAL 37 Cb 0.62 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2dwe h VAL 37 CO 0.04 0.12 -0.16 0.40 0.02 0.00 0.00 177.57 177.98 2dwe h ILE 38 N 0.47 0.66 -0.91 4.57 1.08 -0.76 -2.37 117.51 120.26 2dwe h ILE 38 Ca 0.12 -0.45 0.11 0.00 -0.39 0.00 0.00 64.86 64.25 2dwe h ILE 38 Cb 0.02 0.89 -0.08 0.00 -3.07 0.00 0.00 36.82 34.57 2dwe h ILE 38 CO -0.02 0.09 0.54 0.58 -0.69 0.00 0.00 178.15 178.65 2dwe h VAL 39 N -0.72 0.90 -0.17 1.67 2.07 -0.51 0.32 116.25 119.82 2dwe h VAL 39 Ca -0.05 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.20 2dwe h VAL 39 Cb 0.49 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 2dwe h VAL 39 CO 0.08 0.16 0.02 -0.07 0.02 0.00 0.00 177.57 177.77 2dwe h LEU 40 N 0.87 -0.03 0.05 2.57 3.38 -0.86 0.53 115.31 121.82 2dwe h LEU 40 Ca 0.45 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.44 2dwe h LEU 40 Cb 0.44 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2dwe h LEU 40 CO -0.26 0.01 -0.02 -0.07 0.09 0.00 0.00 178.44 178.18 2dwe h LEU 41 N 0.08 -0.05 -0.68 1.67 3.38 -0.83 0.44 115.31 119.32 2dwe h LEU 41 Ca 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2dwe h LEU 41 Cb 0.08 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2dwe h LEU 41 CO -0.11 0.23 0.38 0.00 0.09 0.00 0.00 178.44 179.02 2dwe h ALA 42 N 0.60 0.87 -0.66 1.53 0.00 -0.88 -1.84 119.26 118.87 2dwe h ALA 42 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2dwe h ALA 42 Cb 0.30 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2dwe h ALA 42 CO 0.01 0.37 0.43 0.78 0.00 0.00 0.00 179.25 180.84 2dwe h GLY 43 N 0.92 0.94 0.98 0.00 0.00 0.18 0.23 103.07 106.33 2dwe h GLY 43 Ca 0.24 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 2dwe h GLY 43 CO -0.04 0.35 0.22 1.76 0.00 0.00 0.00 176.54 178.83 2dwe h SER 44 N 0.90 0.43 -0.25 0.19 0.02 -0.52 -0.12 113.55 114.19 2dwe h SER 44 Ca 0.24 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 2dwe h SER 44 Cb -0.09 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 2dwe h SER 44 CO -0.05 0.35 0.09 0.22 -1.14 0.00 0.00 176.83 176.30 2dwe h TYR 45 N 0.47 0.40 -0.16 3.45 3.20 -0.87 -2.98 116.97 120.48 2dwe h TYR 45 Ca 0.13 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.87 2dwe h TYR 45 Cb 0.00 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 2dwe h TYR 45 CO -0.04 0.43 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.52 2dwe h LEU 46 N 0.24 0.32 -0.22 2.82 3.38 -0.38 -2.73 115.31 118.76 2dwe h LEU 46 Ca 0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2dwe h LEU 46 Cb 0.22 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2dwe h LEU 46 CO -0.00 0.64 0.08 0.00 0.09 0.00 0.00 178.44 179.24 2dwe h ALA 47 N 1.38 0.28 -0.53 1.53 0.00 -0.96 -0.32 119.26 120.65 2dwe h ALA 47 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2dwe h ALA 47 Cb 0.72 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2dwe h ALA 47 CO 0.05 -0.11 0.35 0.28 0.00 0.00 0.00 179.25 179.82 2dwe h VAL 48 N 0.19 1.14 -0.25 0.00 2.07 -1.48 0.24 116.25 118.16 2dwe h VAL 48 Ca 0.07 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.35 2dwe h VAL 48 Cb 0.20 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2dwe h VAL 48 CO -0.00 0.13 0.16 0.25 0.02 0.00 0.00 177.57 178.13 2dwe h LEU 49 N 0.72 0.28 0.07 2.57 5.85 -1.26 -1.74 115.31 121.78 2dwe h LEU 49 Ca 0.19 -0.01 -0.29 0.00 0.84 0.00 0.00 57.88 58.62 2dwe h LEU 49 Cb -0.08 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 2dwe h LEU 49 CO -0.04 0.20 -1.48 0.00 -0.34 0.00 0.00 178.44 176.78 2dwe h ALA 50 N 1.85 0.41 0.16 1.25 0.00 0.05 -3.39 119.26 119.58 2dwe h ALA 50 Ca 0.09 -1.16 -0.31 0.00 0.00 0.00 0.00 54.91 53.53 2dwe h ALA 50 Cb -0.02 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2dwe h ALA 50 CO -0.02 1.27 -1.51 0.93 0.00 0.00 0.00 179.25 179.92 2dwe h GLU 51 N 0.04 0.34 -6.73 0.00 4.39 -0.33 -3.44 114.58 108.85 2dwe h GLU 51 Ca -0.21 -0.58 -0.55 0.00 0.34 0.00 0.00 59.36 58.36 2dwe h GLU 51 Cb 1.97 0.22 0.08 0.00 -0.10 0.00 0.00 28.75 30.91 2dwe h GLU 51 CO 0.13 1.24 0.79 0.54 -1.16 0.00 0.00 179.01 180.55 2dwe n ARG 52 N -3.54 2.48 0.00 2.33 1.74 -0.68 -1.23 116.66 117.76 2dwe n ARG 52 Ca -0.16 0.88 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 2dwe n ARG 52 Cb 1.06 -2.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 2dwe n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dwe n GLY 53 N 2.16 2.56 3.44 -0.13 0.00 -1.26 -4.98 105.19 106.97 2dwe n GLY 53 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2dwe n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dwe s ALA 54 N -2.37 3.44 0.28 4.61 0.00 -0.37 -5.06 121.76 122.30 2dwe s ALA 54 Ca 0.00 -1.70 -0.29 0.00 0.00 0.00 0.00 51.96 49.97 2dwe s ALA 54 Cb 0.00 -2.81 -0.14 0.00 0.00 0.00 0.00 23.12 20.17 2dwe s ALA 54 CO 0.00 -1.42 1.18 -2.30 0.00 0.00 0.00 175.76 173.22 2dwe n PRO 55 N 5.12 1.69 -0.02 0.00 -0.02 -1.26 -1.63 135.00 138.87 2dwe n PRO 55 Ca -0.11 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2dwe n PRO 55 Cb 0.47 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2dwe n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dwe n GLY 56 N 1.33 2.02 3.77 -1.23 0.00 -1.26 -5.03 105.19 104.79 2dwe n GLY 56 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 2dwe n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dwe s ALA 57 N -2.70 3.35 -0.03 4.61 0.00 -0.65 -4.95 121.76 121.39 2dwe s ALA 57 Ca 0.00 1.22 0.05 0.00 0.00 0.00 0.00 51.96 53.22 2dwe s ALA 57 Cb 0.00 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 2dwe s ALA 57 CO 0.00 -0.72 0.11 1.04 0.00 0.00 0.00 175.76 176.19 2dwe n GLN 58 N 0.40 0.64 -1.64 0.00 6.02 -1.26 -4.75 117.38 116.80 2dwe n GLN 58 Ca 0.02 -0.04 -0.40 0.00 -0.01 0.00 0.00 57.00 56.58 2dwe n GLN 58 Cb 0.43 -1.07 -0.02 0.00 1.02 0.00 0.00 30.24 30.60 2dwe n GLN 58 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2dwe n LEU 59 N -1.61 8.23 -0.01 1.08 7.94 -1.26 -4.52 117.00 126.85 2dwe n LEU 59 Ca -0.01 -4.53 0.00 0.00 -1.11 0.00 0.00 56.01 50.36 2dwe n LEU 59 Cb 0.11 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 42.57 2dwe n LEU 59 CO 0.10 1.93 0.48 2.30 -1.11 0.00 0.00 177.39 181.09 2dwe n ILE 60 N 3.12 0.90 -4.20 1.96 -5.35 -1.26 -3.96 119.36 110.56 2dwe n ILE 60 Ca 0.69 -0.95 -0.17 0.00 -0.27 0.00 0.00 62.75 62.04 2dwe n ILE 60 Cb 0.26 0.55 -0.13 0.00 -1.74 0.00 0.00 39.64 38.58 2dwe n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2dwe s THR 61 N -0.90 0.82 0.07 7.28 -4.23 -1.26 -4.94 115.64 112.47 2dwe s THR 61 Ca 0.00 -0.95 -0.26 0.00 -1.18 0.00 0.00 61.69 59.30 2dwe s THR 61 Cb 0.00 -0.78 -0.17 0.00 1.34 0.00 0.00 72.50 72.89 2dwe s THR 61 CO 0.00 -0.14 1.63 1.88 -0.54 0.00 0.00 174.62 177.46 2dwe h TYR 62 N 4.87 -0.28 -0.45 3.99 -1.99 -1.95 -1.92 116.97 119.24 2dwe h TYR 62 Ca -0.36 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 60.44 2dwe h TYR 62 Cb 1.19 0.09 -0.10 0.00 2.00 0.00 0.00 36.73 39.92 2dwe h TYR 62 CO 0.56 -0.13 -0.40 -1.35 -0.00 0.00 0.00 178.16 176.85 2dwe h PRO 63 N -0.37 -0.27 0.00 4.88 0.11 -1.98 0.97 132.00 135.35 2dwe h PRO 63 Ca -0.03 0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.98 2dwe h PRO 63 Cb 0.28 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 2dwe h PRO 63 CO 0.05 -0.18 -0.56 0.07 -0.21 0.00 0.00 178.00 177.18 2dwe h ARG 64 N -0.28 0.00 -0.87 1.05 0.11 -1.99 -2.71 114.38 109.69 2dwe h ARG 64 Ca 0.16 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.23 2dwe h ARG 64 Cb 0.57 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.61 2dwe h ARG 64 CO -0.59 0.56 0.50 0.00 0.10 0.00 0.00 179.97 180.53 2dwe h ALA 65 N 1.44 1.24 -0.39 0.08 0.00 -0.34 0.50 119.26 121.80 2dwe h ALA 65 Ca -0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2dwe h ALA 65 Cb 1.00 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2dwe h ALA 65 CO 0.07 0.63 0.08 1.25 0.00 0.00 0.00 179.25 181.28 2dwe h LEU 66 N 1.21 0.53 -0.33 0.00 5.85 -0.57 0.24 115.31 122.24 2dwe h LEU 66 Ca 0.31 -0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.81 2dwe h LEU 66 Cb -0.01 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 2dwe h LEU 66 CO -0.05 0.54 -0.36 -0.25 -0.34 0.00 0.00 178.44 177.98 2dwe h TRP 67 N 0.56 0.99 -0.47 1.25 -0.00 -0.75 -2.22 115.95 115.31 2dwe h TRP 67 Ca 0.13 -0.31 -0.01 0.00 -0.00 0.00 0.00 58.89 58.70 2dwe h TRP 67 Cb 0.24 -0.21 -0.02 0.00 -0.00 0.00 0.00 29.16 29.17 2dwe h TRP 67 CO 0.01 1.10 0.24 2.35 -0.00 0.00 0.00 178.44 182.14 2dwe h TRP 68 N 0.60 0.66 -0.87 2.65 7.01 0.69 -1.66 115.95 125.03 2dwe h TRP 68 Ca 0.05 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 2dwe h TRP 68 Cb 0.94 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 27.76 2dwe h TRP 68 CO 0.07 0.51 0.49 0.66 -2.79 0.00 0.00 178.44 177.38 2dwe h SER 69 N 0.61 1.09 -0.06 2.65 4.64 -0.50 -1.25 113.55 120.74 2dwe h SER 69 Ca 0.16 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 2dwe h SER 69 Cb 0.09 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.90 2dwe h SER 69 CO -0.02 0.87 0.01 0.58 -0.87 0.00 0.00 176.83 177.40 2dwe h VAL 70 N 1.22 1.19 0.00 0.95 2.07 -1.02 -0.18 116.25 120.49 2dwe h VAL 70 Ca 0.31 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2dwe h VAL 70 Cb 0.02 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2dwe h VAL 70 CO -0.05 0.16 0.00 -1.84 0.02 0.00 0.00 177.57 175.86 2dwe n GLU 71 N -4.92 0.05 -0.07 1.57 0.28 -0.66 -1.84 120.64 115.04 2dwe n GLU 71 Ca -0.07 0.22 -0.23 0.00 -0.16 0.00 0.00 57.16 56.93 2dwe n GLU 71 Cb 0.14 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.39 2dwe n GLU 71 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2dwe n THR 72 N -1.45 1.61 0.17 3.84 -1.04 -0.49 -0.62 114.28 116.30 2dwe n THR 72 Ca 0.04 -0.33 0.05 0.00 -2.04 0.00 0.00 64.05 61.78 2dwe n THR 72 Cb 0.16 -1.87 0.51 0.00 -1.82 0.00 0.00 70.33 67.32 2dwe n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dwe h ALA 73 N -0.33 1.76 -0.01 2.41 0.00 -0.76 -1.10 119.26 121.24 2dwe h ALA 73 Ca -0.44 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2dwe h ALA 73 Cb 1.64 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2dwe h ALA 73 CO -0.13 0.18 -0.27 0.25 0.00 0.00 0.00 179.25 179.28 2dwe n THR 74 N -4.42 0.00 -0.89 0.00 -2.24 -0.77 -3.57 114.28 102.40 2dwe n THR 74 Ca -0.01 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2dwe n THR 74 Cb 0.16 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 2dwe n THR 74 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2dwe n THR 75 N -0.88 0.00 -0.27 4.28 -2.24 -0.42 -4.90 114.28 109.84 2dwe n THR 75 Ca 0.11 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.86 2dwe n THR 75 Cb 0.33 -0.29 0.14 0.00 -2.10 0.00 0.00 70.33 68.41 2dwe n THR 75 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2dwe h VAL 76 N 0.00 1.24 -6.29 2.28 2.07 -1.69 -3.47 116.25 110.39 2dwe h VAL 76 Ca 0.00 -0.62 -0.29 0.00 0.82 0.00 0.00 66.70 66.61 2dwe h VAL 76 Cb 0.18 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2dwe h VAL 76 CO 0.00 0.28 -0.60 0.61 0.02 0.00 0.00 177.57 177.87 2dwe n GLY 77 N -1.13 -0.66 0.38 2.17 0.00 0.21 -4.84 105.19 101.32 2dwe n GLY 77 Ca 0.08 0.30 0.14 0.00 0.00 0.00 0.00 46.02 46.54 2dwe n GLY 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2dwe h TYR 78 N 0.19 0.75 0.00 1.61 -1.99 -1.91 -3.46 116.97 112.16 2dwe h TYR 78 Ca -0.37 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.38 2dwe h TYR 78 Cb 0.78 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 39.27 2dwe h TYR 78 CO 0.15 0.24 0.00 0.41 -0.00 0.00 0.00 178.16 178.96 2dwe n GLY 79 N -1.45 0.82 0.22 3.88 0.00 -1.26 -4.95 105.19 102.45 2dwe n GLY 79 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 2dwe n GLY 79 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2dwe h ASP 80 N 0.00 0.00 -4.21 1.61 2.03 -2.01 -3.44 116.42 110.39 2dwe h ASP 80 Ca 0.00 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.17 2dwe h ASP 80 Cb 0.00 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 38.27 2dwe h ASP 80 CO 0.00 0.13 -0.27 -0.76 -1.03 0.00 0.00 179.24 177.32 2dwe s LEU 81 N -6.38 0.62 -0.20 0.15 1.43 -1.26 -5.04 118.68 108.00 2dwe s LEU 81 Ca 0.03 0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 53.40 2dwe s LEU 81 Cb 0.08 1.31 0.15 0.00 0.03 0.00 0.00 46.19 47.76 2dwe s LEU 81 CO 0.64 -0.23 1.13 -0.72 0.23 0.00 0.00 176.35 177.40 2dwe s TYR 82 N -0.26 -0.25 0.48 0.29 -0.85 -1.26 -4.93 117.35 110.57 2dwe s TYR 82 Ca -0.04 0.43 -0.20 0.00 -0.52 0.00 0.00 57.07 56.74 2dwe s TYR 82 Cb -0.03 0.47 -0.09 0.00 0.38 0.00 0.00 41.96 42.69 2dwe s TYR 82 CO 0.02 -0.23 1.02 -1.25 -1.52 0.00 0.00 175.55 173.59 2dwe s PRO 83 N -1.08 3.87 0.00 -3.49 0.04 -1.26 -4.61 135.00 128.47 2dwe s PRO 83 Ca 0.02 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.41 2dwe s PRO 83 Cb -0.01 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 2dwe s PRO 83 CO -0.02 -0.37 0.33 1.33 0.04 0.00 0.00 177.00 178.32 2dwe n VAL 84 N -0.93 0.00 -3.81 -0.36 0.24 -1.26 -4.77 118.33 107.43 2dwe n VAL 84 Ca 0.09 -0.45 -0.22 0.00 -2.04 0.00 0.00 64.34 61.72 2dwe n VAL 84 Cb 0.53 1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 33.91 2dwe n VAL 84 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2dwe s THR 85 N -0.97 5.22 0.11 3.34 -4.23 -1.26 -4.99 115.64 112.87 2dwe s THR 85 Ca 0.03 -0.82 -0.21 0.00 -1.18 0.00 0.00 61.69 59.51 2dwe s THR 85 Cb 0.03 -3.85 -0.08 0.00 1.34 0.00 0.00 72.50 69.94 2dwe s THR 85 CO 0.11 -0.37 1.73 0.25 -0.54 0.00 0.00 174.62 175.80 2dwe h LEU 86 N 1.16 -0.05 -0.95 4.79 5.85 -1.96 -0.71 115.31 123.44 2dwe h LEU 86 Ca -0.51 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 2dwe h LEU 86 Cb 1.22 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 2dwe h LEU 86 CO 0.62 -0.01 -0.14 -0.50 -0.34 0.00 0.00 178.44 178.07 2dwe h TRP 87 N 0.04 0.67 -0.32 1.25 4.06 -1.96 -0.85 115.95 118.85 2dwe h TRP 87 Ca 0.06 -0.12 -0.02 0.00 2.06 0.00 0.00 58.89 60.87 2dwe h TRP 87 Cb 0.07 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.04 2dwe h TRP 87 CO -0.14 0.72 0.13 0.78 -3.56 0.00 0.00 178.44 176.37 2dwe h GLY 88 N 0.96 0.50 1.04 1.49 0.00 -1.76 -0.40 103.07 104.90 2dwe h GLY 88 Ca 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 2dwe h GLY 88 CO 0.04 0.26 0.51 3.21 0.00 0.00 0.00 176.54 180.55 2dwe h ARG 89 N 0.36 1.26 -0.34 4.80 3.08 -0.89 0.25 114.38 122.90 2dwe h ARG 89 Ca 0.11 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2dwe h ARG 89 Cb 0.17 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2dwe h ARG 89 CO -0.01 0.91 0.21 0.00 -1.07 0.00 0.00 179.97 180.01 2dwe h VAL 91 N 0.44 1.05 -0.95 0.00 2.07 -0.32 -1.78 116.25 116.77 2dwe h VAL 91 Ca 0.12 -0.22 0.10 0.00 0.82 0.00 0.00 66.70 67.52 2dwe h VAL 91 Cb 0.01 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 30.05 2dwe h VAL 91 CO -0.02 0.12 0.59 0.00 0.02 0.00 0.00 177.57 178.28 2dwe h ALA 92 N 1.25 1.39 -0.41 1.67 0.00 0.26 -2.11 119.26 121.31 2dwe h ALA 92 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2dwe h ALA 92 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2dwe h ALA 92 CO -0.11 0.25 0.23 0.28 0.00 0.00 0.00 179.25 179.90 2dwe h VAL 93 N 0.99 1.15 -0.40 0.00 2.07 -0.04 -0.53 116.25 119.49 2dwe h VAL 93 Ca 0.45 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.60 2dwe h VAL 93 Cb 0.37 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2dwe h VAL 93 CO -0.24 0.16 0.25 0.58 0.02 0.00 0.00 177.57 178.34 2dwe h VAL 94 N 0.53 1.08 -0.64 2.57 2.07 -1.12 -0.93 116.25 119.81 2dwe h VAL 94 Ca 0.15 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2dwe h VAL 94 Cb 0.05 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2dwe h VAL 94 CO -0.02 0.09 0.40 0.58 0.02 0.00 0.00 177.57 178.64 2dwe h VAL 95 N 0.51 1.18 0.02 2.57 2.07 -1.14 0.18 116.25 121.64 2dwe h VAL 95 Ca 0.15 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 2dwe h VAL 95 Cb -0.03 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2dwe h VAL 95 CO -0.05 0.18 -0.01 0.24 0.02 0.00 0.00 177.57 177.95 2dwe h MET 96 N 0.86 -0.02 -0.48 1.57 2.07 -0.72 -0.65 114.93 117.56 2dwe h MET 96 Ca 0.23 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.84 2dwe h MET 96 Cb -0.05 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 29.67 2dwe h MET 96 CO -0.05 0.02 0.21 0.28 1.07 0.00 0.00 176.91 178.45 2dwe h VAL 97 N -0.06 1.20 -0.81 -2.22 2.07 -0.96 0.68 116.25 116.14 2dwe h VAL 97 Ca -0.00 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 2dwe h VAL 97 Cb 0.06 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 2dwe h VAL 97 CO 0.00 0.23 0.40 0.00 0.02 0.00 0.00 177.57 178.22 2dwe h ALA 98 N 1.05 1.16 0.03 1.67 0.00 -0.51 -0.83 119.26 121.85 2dwe h ALA 98 Ca 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2dwe h ALA 98 Cb 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2dwe h ALA 98 CO -0.02 0.64 -0.02 0.78 0.00 0.00 0.00 179.25 180.64 2dwe h GLY 99 N 1.18 -0.05 0.87 0.00 0.00 -0.78 -0.55 103.07 103.75 2dwe h GLY 99 Ca 0.28 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.65 2dwe h GLY 99 CO -0.04 -0.02 0.17 -2.22 0.00 0.00 0.00 176.54 174.44 2dwe h ILE 100 N -0.58 1.00 -0.56 2.60 2.04 -0.81 -1.66 117.51 119.55 2dwe h ILE 100 Ca -0.00 -0.12 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 2dwe h ILE 100 Cb 0.53 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2dwe h ILE 100 CO 0.01 0.07 -0.01 0.74 0.00 0.00 0.00 178.15 178.95 2dwe h THR 101 N 0.36 1.27 -0.17 -0.27 2.02 -1.23 -1.37 112.91 113.52 2dwe h THR 101 Ca 0.13 -1.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.15 2dwe h THR 101 Cb 0.03 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2dwe h THR 101 CO -0.08 0.41 0.03 0.28 0.37 0.00 0.00 175.52 176.53 2dwe h SER 102 N 0.88 0.27 -0.00 4.18 0.02 -0.86 -0.90 113.55 117.13 2dwe h SER 102 Ca 0.16 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.78 2dwe h SER 102 Cb 0.56 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 2dwe h SER 102 CO 0.03 0.45 -0.20 -0.26 -1.14 0.00 0.00 176.83 175.71 2dwe h PHE 103 N 0.08 0.40 -0.13 3.45 -1.00 -1.32 -1.66 116.94 116.75 2dwe h PHE 103 Ca 0.05 -0.07 -0.10 0.00 2.81 0.00 0.00 57.97 60.67 2dwe h PHE 103 Cb 0.29 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 2dwe h PHE 103 CO 0.02 0.55 -0.35 0.78 -1.61 0.00 0.00 178.31 177.69 2dwe h GLY 104 N 0.95 0.30 1.10 -1.45 0.00 -1.08 -1.92 103.07 100.97 2dwe h GLY 104 Ca 0.06 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 2dwe h GLY 104 CO 0.04 0.24 0.10 -2.00 0.00 0.00 0.00 176.54 174.92 2dwe h LEU 105 N 0.24 1.05 -0.49 3.11 6.46 -0.24 -1.08 115.31 124.36 2dwe h LEU 105 Ca 0.03 -0.25 -0.03 0.00 -0.12 0.00 0.00 57.88 57.50 2dwe h LEU 105 Cb 0.74 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 2dwe h LEU 105 CO 0.06 1.04 0.18 0.58 -0.62 0.00 0.00 178.44 179.67 2dwe h VAL 106 N 1.02 1.22 -0.82 1.05 2.07 -1.04 -1.23 116.25 118.53 2dwe h VAL 106 Ca 0.20 -0.71 0.07 0.00 0.82 0.00 0.00 66.70 67.09 2dwe h VAL 106 Cb 0.44 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 2dwe h VAL 106 CO 0.01 0.26 0.49 0.74 0.02 0.00 0.00 177.57 179.09 2dwe h THR 107 N 0.66 0.99 0.00 2.57 2.02 -0.82 -0.62 112.91 117.70 2dwe h THR 107 Ca 0.16 -0.30 -0.09 0.00 0.77 0.00 0.00 66.41 66.95 2dwe h THR 107 Cb 0.23 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 2dwe h THR 107 CO -0.01 0.16 -0.44 0.00 0.37 0.00 0.00 175.52 175.59 2dwe h ALA 108 N 1.41 1.20 -0.19 6.16 0.00 -0.80 -1.50 119.26 125.53 2dwe h ALA 108 Ca 0.37 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 2dwe h ALA 108 Cb 0.23 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2dwe h ALA 108 CO -0.20 0.56 -0.57 0.00 0.00 0.00 0.00 179.25 179.04 2dwe h ALA 109 N 1.56 0.65 -0.07 0.00 0.00 -0.08 -1.97 119.26 119.34 2dwe h ALA 109 Ca -0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 2dwe h ALA 109 Cb 0.82 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2dwe h ALA 109 CO 0.06 0.69 -0.56 -0.07 0.00 0.00 0.00 179.25 179.37 2dwe h LEU 110 N 0.45 0.24 -0.52 0.00 3.38 -0.86 -1.77 115.31 116.22 2dwe h LEU 110 Ca 0.00 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 2dwe h LEU 110 Cb 1.13 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2dwe h LEU 110 CO 0.11 0.75 -0.40 0.00 0.09 0.00 0.00 178.44 178.99 2dwe h ALA 111 N 1.25 0.70 -0.48 1.53 0.00 -1.09 -1.51 119.26 119.66 2dwe h ALA 111 Ca -0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 2dwe h ALA 111 Cb 1.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2dwe h ALA 111 CO 0.09 0.66 -0.15 1.15 0.00 0.00 0.00 179.25 181.00 2dwe h THR 112 N 0.63 1.27 -0.61 0.00 2.02 -1.19 -0.45 112.91 114.57 2dwe h THR 112 Ca 0.05 -1.29 -0.08 0.00 0.77 0.00 0.00 66.41 65.86 2dwe h THR 112 Cb 0.95 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 2dwe h THR 112 CO 0.09 0.45 0.06 -0.25 0.37 0.00 0.00 175.52 176.24 2dwe h TRP 113 N 0.82 1.12 -0.33 3.16 7.01 -1.18 -0.70 115.95 125.86 2dwe h TRP 113 Ca 0.12 -0.17 -0.12 0.00 2.11 0.00 0.00 58.89 60.83 2dwe h TRP 113 Cb 0.70 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.45 2dwe h TRP 113 CO 0.04 0.97 -0.26 0.74 -2.79 0.00 0.00 178.44 177.14 2dwe h PHE 114 N 0.95 0.91 -0.21 2.65 0.04 -1.01 -2.67 116.94 117.59 2dwe h PHE 114 Ca 0.18 -0.25 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 2dwe h PHE 114 Cb 0.48 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 2dwe h PHE 114 CO 0.04 1.01 0.09 0.28 -0.60 0.00 0.00 178.31 179.12 2dwe h VAL 115 N 0.54 1.16 -0.90 -0.55 2.07 -0.98 -0.61 116.25 116.98 2dwe h VAL 115 Ca 0.06 -0.47 0.07 0.00 0.82 0.00 0.00 66.70 67.18 2dwe h VAL 115 Cb 0.83 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 2dwe h VAL 115 CO 0.07 0.15 0.57 1.23 0.02 0.00 0.00 177.57 179.61 2dwe h GLY 116 N 0.19 1.37 1.89 2.17 0.00 -1.13 -1.08 103.07 106.48 2dwe h GLY 116 Ca 0.07 -0.41 -0.19 0.00 0.00 0.00 0.00 47.33 46.80 2dwe h GLY 116 CO -0.01 0.28 -0.88 -0.09 0.00 0.00 0.00 176.54 175.84 2dwe h ARG 117 N 1.03 0.10 0.00 4.80 2.43 -1.32 -2.88 114.38 118.53 2dwe h ARG 117 Ca 0.40 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.37 2dwe h ARG 117 Cb 0.18 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2dwe h ARG 117 CO -0.18 0.91 -0.39 1.49 -1.51 0.00 0.00 179.97 180.29 2dwe h GLU 118 N 0.05 0.00 -0.29 0.20 4.57 -0.47 -0.39 114.58 118.25 2dwe h GLU 118 Ca -0.03 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.96 2dwe h GLU 118 Cb 1.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.12 2dwe h GLU 118 CO 0.13 0.39 -0.55 1.96 -1.18 0.00 0.00 179.01 179.76 2dwe h GLN 119 N 0.00 0.89 0.01 1.92 4.20 -1.15 -1.95 115.11 119.03 2dwe h GLN 119 Ca -0.00 -0.57 -0.00 0.00 0.06 0.00 0.00 58.65 58.14 2dwe h GLN 119 Cb 0.72 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.57 2dwe h GLN 119 CO 0.05 1.20 -0.01 0.93 -0.67 0.00 0.00 178.83 180.34 2dwe h GLU 120 N 0.68 -0.01 0.00 1.46 5.08 -1.23 -0.88 114.58 119.67 2dwe h GLU 120 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2dwe h GLU 120 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2dwe h GLU 120 CO 0.12 0.03 0.00 -0.09 -1.00 0.00 0.00 179.01 178.07 2dwe h ARG 121 N -0.06 0.00 -0.01 2.33 2.43 -1.04 1.00 114.38 119.03 2dwe h ARG 121 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2dwe h ARG 121 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2dwe h ARG 121 CO 0.00 0.00 -0.30 -2.13 -1.51 0.00 0.00 179.97 176.03 2dwe n ARG 122 N -2.44 0.84 -3.14 0.20 3.00 -0.43 -4.92 116.66 109.76 2dwe n ARG 122 Ca -0.01 -0.53 -0.23 0.00 -0.00 0.00 0.00 57.85 57.08 2dwe n ARG 122 Cb 0.09 -1.49 0.03 0.00 0.00 0.00 0.00 32.46 31.09 2dwe n ARG 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2dwe n GLY 123 N 1.36 -0.52 0.53 5.14 0.00 0.34 -5.06 105.19 106.99 2dwe n GLY 123 Ca 0.11 0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.34 2dwe n GLY 123 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89