#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bl8 n LEU 24 N 0.00 0.00 -0.46 0.00 7.94 -1.26 -4.81 117.00 118.41 1bl8 n LEU 24 Ca 0.00 0.00 0.41 0.00 -1.11 0.00 0.00 56.01 55.31 1bl8 n LEU 24 Cb 0.00 0.27 0.76 0.00 0.53 0.00 0.00 43.42 44.98 1bl8 n LEU 24 CO 0.00 -0.27 1.37 1.12 -1.11 0.00 0.00 177.39 178.50 1bl8 h HIS 25 N 0.00 0.05 0.00 1.96 2.07 -1.97 2.84 115.15 120.10 1bl8 h HIS 25 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1bl8 h HIS 25 Cb 0.00 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 29.97 1bl8 h HIS 25 CO 0.00 -0.01 -1.13 1.87 -3.07 0.00 0.00 177.93 175.59 1bl8 n TRP 26 N -4.14 0.00 -0.01 6.12 -0.00 -1.26 -4.19 117.44 113.96 1bl8 n TRP 26 Ca 0.32 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.84 1bl8 n TRP 26 Cb 1.50 -0.07 -0.05 0.00 -0.00 0.00 0.00 31.31 32.69 1bl8 n TRP 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1bl8 n ARG 27 N -1.60 1.03 0.17 5.87 1.74 0.32 -4.06 116.66 120.13 1bl8 n ARG 27 Ca 0.03 -0.04 0.13 0.00 -0.77 0.00 0.00 57.85 57.20 1bl8 n ARG 27 Cb 0.36 -1.14 0.49 0.00 -1.02 0.00 0.00 32.46 31.15 1bl8 n ARG 27 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bl8 h ALA 28 N 0.46 1.00 0.00 7.54 0.00 0.43 -3.04 119.26 125.66 1bl8 h ALA 28 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bl8 h ALA 28 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1bl8 h ALA 28 CO 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 179.25 179.11 1bl8 n ALA 29 N -1.88 0.12 0.12 0.00 0.00 -1.26 -2.90 120.51 114.72 1bl8 n ALA 29 Ca 0.03 -0.22 0.13 0.00 0.00 0.00 0.00 53.44 53.37 1bl8 n ALA 29 Cb 0.31 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.05 1bl8 n ALA 29 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1bl8 h GLY 30 N -0.25 0.00 0.32 0.00 0.00 -1.70 0.37 103.07 101.80 1bl8 h GLY 30 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.95 1bl8 h GLY 30 CO 0.00 0.00 -2.21 0.00 0.00 0.00 0.00 176.54 174.33 1bl8 n ALA 31 N -1.86 1.13 -0.25 3.60 0.00 -1.15 -4.38 120.51 117.61 1bl8 n ALA 31 Ca 0.09 -0.83 0.03 0.00 0.00 0.00 0.00 53.44 52.73 1bl8 n ALA 31 Cb 1.10 -0.41 0.15 0.00 0.00 0.00 0.00 19.45 20.30 1bl8 n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bl8 h ALA 32 N 0.01 0.99 -0.83 0.00 0.00 -0.14 0.16 119.26 119.45 1bl8 h ALA 32 Ca -0.50 0.08 0.17 0.00 0.00 0.00 0.00 54.91 54.67 1bl8 h ALA 32 Cb 1.95 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.66 1bl8 h ALA 32 CO -0.01 -0.13 0.35 1.79 0.00 0.00 0.00 179.25 181.26 1bl8 h THR 33 N 0.51 0.59 0.00 0.00 1.35 -1.69 2.58 112.91 116.25 1bl8 h THR 33 Ca 0.37 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 1bl8 h THR 33 Cb 0.48 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 1bl8 h THR 33 CO -0.33 0.08 0.00 0.52 -0.25 0.00 0.00 175.52 175.55 1bl8 n VAL 34 N -5.00 1.04 -0.10 6.82 0.31 0.04 -0.59 118.33 120.85 1bl8 n VAL 34 Ca 0.18 0.26 -0.24 0.00 -0.01 0.00 0.00 64.34 64.53 1bl8 n VAL 34 Cb 0.51 -1.26 -0.11 0.00 -0.91 0.00 0.00 33.84 32.06 1bl8 n VAL 34 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1bl8 n LEU 35 N -1.26 2.16 -0.17 7.52 4.77 0.86 -4.00 117.00 126.88 1bl8 n LEU 35 Ca 0.00 0.29 -0.05 0.00 -0.03 0.00 0.00 56.01 56.22 1bl8 n LEU 35 Cb 0.00 -0.94 0.04 0.00 -2.33 0.00 0.00 43.42 40.20 1bl8 n LEU 35 CO 0.00 0.55 1.05 0.25 -1.33 0.00 0.00 177.39 177.91 1bl8 h LEU 36 N -0.70 0.45 -1.66 2.23 5.85 -0.18 -0.90 115.31 120.41 1bl8 h LEU 36 Ca -0.51 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.34 1bl8 h LEU 36 Cb 1.60 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.51 1bl8 h LEU 36 CO -0.22 0.32 0.42 0.58 -0.34 0.00 0.00 178.44 179.20 1bl8 h VAL 37 N 0.57 0.86 -0.10 1.05 2.07 -1.45 0.22 116.25 119.47 1bl8 h VAL 37 Ca 0.22 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1bl8 h VAL 37 Cb 0.07 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1bl8 h VAL 37 CO -0.12 0.07 -0.05 0.40 0.02 0.00 0.00 177.57 177.89 1bl8 h ILE 38 N 0.38 1.32 -0.58 4.57 5.03 -1.33 -2.58 117.51 124.31 1bl8 h ILE 38 Ca 0.29 -1.07 0.12 0.00 -0.12 0.00 0.00 64.86 64.08 1bl8 h ILE 38 Cb 0.65 1.83 -0.10 0.00 -3.03 0.00 0.00 36.82 36.17 1bl8 h ILE 38 CO -0.08 0.30 0.01 0.58 -0.68 0.00 0.00 178.15 178.28 1bl8 h VAL 39 N -0.16 0.54 0.00 1.67 2.07 0.17 1.11 116.25 121.65 1bl8 h VAL 39 Ca 0.02 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1bl8 h VAL 39 Cb 0.50 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1bl8 h VAL 39 CO 0.01 0.02 0.00 0.18 0.02 0.00 0.00 177.57 177.81 1bl8 n LEU 40 N -5.25 0.00 -0.49 2.57 4.77 0.47 0.18 117.00 119.24 1bl8 n LEU 40 Ca 0.08 0.53 0.41 0.00 -0.03 0.00 0.00 56.01 57.00 1bl8 n LEU 40 Cb 0.33 -0.03 0.74 0.00 -2.33 0.00 0.00 43.42 42.13 1bl8 n LEU 40 CO 0.13 -0.03 1.36 -0.07 -1.33 0.00 0.00 177.39 177.45 1bl8 h LEU 41 N 0.00 0.09 0.07 2.23 3.38 -1.16 0.48 115.31 120.40 1bl8 h LEU 41 Ca 0.00 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1bl8 h LEU 41 Cb 0.00 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1bl8 h LEU 41 CO 0.00 -0.03 -0.03 0.00 0.09 0.00 0.00 178.44 178.46 1bl8 h ALA 42 N 1.32 -0.10 -0.28 1.53 0.00 0.21 -2.80 119.26 119.14 1bl8 h ALA 42 Ca 0.76 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 55.30 1bl8 h ALA 42 Cb 2.82 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 20.63 1bl8 h ALA 42 CO -0.12 -0.30 -0.32 0.78 0.00 0.00 0.00 179.25 179.30 1bl8 h GLY 43 N -0.61 0.65 0.15 0.00 0.00 0.55 -3.20 103.07 100.61 1bl8 h GLY 43 Ca -0.01 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 1bl8 h GLY 43 CO 0.02 0.54 -0.24 1.76 0.00 0.00 0.00 176.54 178.62 1bl8 h SER 44 N 0.51 -0.68 0.00 0.19 0.02 -0.29 0.18 113.55 113.48 1bl8 h SER 44 Ca 0.06 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1bl8 h SER 44 Cb 0.80 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1bl8 h SER 44 CO 0.07 -0.28 0.00 -1.22 -1.14 0.00 0.00 176.83 174.25 1bl8 n TYR 45 N -3.79 0.00 0.00 3.45 4.02 -1.06 -3.05 117.16 116.73 1bl8 n TYR 45 Ca -0.05 -0.64 0.00 0.00 -0.01 0.00 0.00 57.90 57.20 1bl8 n TYR 45 Cb 0.20 -0.33 0.00 0.00 -0.02 0.00 0.00 39.34 39.19 1bl8 n TYR 45 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1bl8 n LEU 46 N 0.88 0.09 -0.01 7.72 0.00 -0.89 -4.70 117.00 120.09 1bl8 n LEU 46 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 55.91 1bl8 n LEU 46 Cb 0.47 0.00 0.05 0.00 0.00 0.00 0.00 43.42 43.94 1bl8 n LEU 46 CO 0.00 0.01 0.48 0.00 0.00 0.00 0.00 177.39 177.88 1bl8 h ALA 47 N 0.00 0.68 0.57 1.96 0.00 -0.58 -3.05 119.26 118.83 1bl8 h ALA 47 Ca 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1bl8 h ALA 47 Cb 0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1bl8 h ALA 47 CO 0.00 0.69 -0.37 0.28 0.00 0.00 0.00 179.25 179.85 1bl8 h VAL 48 N 0.46 0.00 0.00 0.00 2.07 -1.68 0.06 116.25 117.16 1bl8 h VAL 48 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1bl8 h VAL 48 Cb 1.09 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1bl8 h VAL 48 CO 0.10 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.69 1bl8 n LEU 49 N -4.70 0.00 -0.01 2.57 -0.00 -1.22 0.15 117.00 113.79 1bl8 n LEU 49 Ca -0.11 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 55.91 1bl8 n LEU 49 Cb 0.37 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.74 1bl8 n LEU 49 CO 0.25 0.00 -0.62 0.00 -0.00 0.00 0.00 177.39 177.03 1bl8 n ALA 50 N -0.58 2.11 -0.04 1.47 0.00 -0.25 -4.74 120.51 118.48 1bl8 n ALA 50 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 53.44 53.17 1bl8 n ALA 50 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 1bl8 n ALA 50 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bl8 n GLU 51 N -1.89 2.61 -0.15 0.00 -0.58 0.20 -4.71 120.64 116.12 1bl8 n GLU 51 Ca -0.04 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.84 1bl8 n GLU 51 Cb 0.34 -1.18 0.26 0.00 -0.57 0.00 0.00 31.44 30.29 1bl8 n GLU 51 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1bl8 n ARG 52 N -2.31 -0.03 -3.86 3.49 3.00 0.40 -2.33 116.66 115.02 1bl8 n ARG 52 Ca -0.12 0.66 -0.30 0.00 -0.00 0.00 0.00 57.85 58.09 1bl8 n ARG 52 Cb 0.72 -1.16 -0.11 0.00 0.00 0.00 0.00 32.46 31.91 1bl8 n ARG 52 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1bl8 s GLY 53 N -3.75 2.93 0.00 5.14 0.00 -1.26 -4.89 107.32 105.48 1bl8 s GLY 53 Ca -0.04 -3.80 0.00 0.00 0.00 0.00 0.00 44.72 40.88 1bl8 s GLY 53 CO 0.37 1.09 0.00 0.00 0.00 0.00 0.00 173.10 174.56 1bl8 n ALA 54 N 2.13 0.00 0.00 3.20 0.00 -0.98 -5.00 120.51 119.85 1bl8 n ALA 54 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1bl8 n ALA 54 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1bl8 n ALA 54 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bl8 n PRO 55 N -0.07 0.00 -2.33 0.00 -0.02 -1.26 -4.78 135.00 126.53 1bl8 n PRO 55 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.20 1bl8 n PRO 55 Cb 0.00 -1.04 0.02 0.00 -0.02 0.00 0.00 33.50 32.46 1bl8 n PRO 55 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1bl8 s GLY 56 N -1.72 1.58 0.23 -1.23 0.00 -1.26 -5.08 107.32 99.85 1bl8 s GLY 56 Ca 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 44.72 44.17 1bl8 s GLY 56 CO 0.00 -0.25 0.13 0.00 0.00 0.00 0.00 173.10 172.98 1bl8 n ALA 57 N -2.56 -0.80 0.00 3.20 0.00 -1.26 -4.74 120.51 114.34 1bl8 n ALA 57 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1bl8 n ALA 57 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1bl8 n ALA 57 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1bl8 n GLN 58 N -2.34 0.00 -0.28 0.00 7.27 -1.26 -3.67 117.38 117.10 1bl8 n GLN 58 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.09 1bl8 n GLN 58 Cb 0.09 -1.32 -0.01 0.00 2.41 0.00 0.00 30.24 31.42 1bl8 n GLN 58 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1bl8 n LEU 59 N -0.76 2.81 -0.10 1.69 4.77 -1.26 -2.25 117.00 121.90 1bl8 n LEU 59 Ca 0.00 -1.31 0.02 0.00 -0.03 0.00 0.00 56.01 54.70 1bl8 n LEU 59 Cb 0.00 -0.60 0.04 0.00 -2.33 0.00 0.00 43.42 40.53 1bl8 n LEU 59 CO 0.00 0.54 0.53 2.30 -1.33 0.00 0.00 177.39 179.43 1bl8 n ILE 60 N 1.79 1.17 -3.77 -0.08 -0.00 -1.24 -3.53 119.36 113.70 1bl8 n ILE 60 Ca 0.01 -1.21 -0.16 0.00 -0.00 0.00 0.00 62.75 61.39 1bl8 n ILE 60 Cb 0.28 0.37 -0.16 0.00 -0.00 0.00 0.00 39.64 40.12 1bl8 n ILE 60 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 1bl8 s THR 61 N -1.33 -0.05 0.15 7.28 2.01 -0.96 -4.76 115.64 117.98 1bl8 s THR 61 Ca 0.08 0.23 -0.18 0.00 0.31 0.00 0.00 61.69 62.14 1bl8 s THR 61 Cb 0.06 -0.10 0.02 0.00 0.01 0.00 0.00 72.50 72.50 1bl8 s THR 61 CO 0.02 0.10 1.71 1.88 -0.69 0.00 0.00 174.62 177.64 1bl8 h TYR 62 N 7.40 -0.02 0.00 4.92 0.05 -1.90 0.36 116.97 127.77 1bl8 h TYR 62 Ca -0.43 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.37 1bl8 h TYR 62 Cb 1.12 0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.92 1bl8 h TYR 62 CO 0.51 -0.06 0.00 -2.30 -1.05 0.00 0.00 178.16 175.26 1bl8 n PRO 63 N -5.17 0.12 -0.10 4.88 -0.02 -1.26 -1.98 135.00 131.47 1bl8 n PRO 63 Ca 0.00 0.17 -0.13 0.00 -2.02 0.00 0.00 63.50 61.52 1bl8 n PRO 63 Cb 0.16 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.04 1bl8 n PRO 63 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1bl8 n ARG 64 N -1.21 0.59 -0.17 -0.52 3.00 -0.13 -4.43 116.66 113.78 1bl8 n ARG 64 Ca 0.03 0.10 0.04 0.00 -0.01 0.00 0.00 57.85 58.01 1bl8 n ARG 64 Cb 0.04 -1.39 0.32 0.00 0.00 0.00 0.00 32.46 31.43 1bl8 n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bl8 h ALA 65 N 0.07 1.60 -0.11 7.54 0.00 -0.36 -2.87 119.26 125.13 1bl8 h ALA 65 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1bl8 h ALA 65 Cb 1.71 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1bl8 h ALA 65 CO -0.06 0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.80 1bl8 n LEU 66 N -4.46 0.00 0.31 0.00 4.77 -1.08 0.49 117.00 117.03 1bl8 n LEU 66 Ca 0.09 0.98 0.11 0.00 -0.03 0.00 0.00 56.01 57.16 1bl8 n LEU 66 Cb 0.12 -0.48 0.56 0.00 -2.33 0.00 0.00 43.42 41.30 1bl8 n LEU 66 CO 0.35 -0.48 1.10 -0.25 -1.33 0.00 0.00 177.39 176.77 1bl8 h TRP 67 N 0.00 0.00 0.16 -1.77 2.91 -1.76 0.74 115.95 116.23 1bl8 h TRP 67 Ca 0.00 0.00 -0.28 0.00 1.13 0.00 0.00 58.89 59.74 1bl8 h TRP 67 Cb 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 28.66 1bl8 h TRP 67 CO -0.39 0.00 -1.33 2.35 -1.03 0.00 0.00 178.44 178.04 1bl8 h TRP 68 N 0.00 0.62 -0.41 2.65 7.01 -0.58 -2.69 115.95 122.55 1bl8 h TRP 68 Ca 0.02 -0.45 0.04 0.00 2.11 0.00 0.00 58.89 60.61 1bl8 h TRP 68 Cb 1.14 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 28.14 1bl8 h TRP 68 CO 0.00 1.52 0.18 0.77 -2.79 0.00 0.00 178.44 178.11 1bl8 h SER 69 N -0.16 0.24 0.52 2.65 0.02 0.56 0.11 113.55 117.49 1bl8 h SER 69 Ca -0.26 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 1bl8 h SER 69 Cb 1.87 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 64.40 1bl8 h SER 69 CO 0.15 0.18 -0.29 0.58 -1.14 0.00 0.00 176.83 176.30 1bl8 h VAL 70 N 0.37 0.40 -0.44 2.27 2.07 -1.22 0.69 116.25 120.38 1bl8 h VAL 70 Ca 0.18 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.75 1bl8 h VAL 70 Cb 0.12 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 1bl8 h VAL 70 CO -0.15 0.00 0.19 -0.33 0.02 0.00 0.00 177.57 177.30 1bl8 h GLU 71 N -0.76 0.37 0.24 1.57 3.07 -1.31 0.19 114.58 117.95 1bl8 h GLU 71 Ca -0.06 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.76 1bl8 h GLU 71 Cb 0.61 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1bl8 h GLU 71 CO 0.08 0.24 -0.12 1.15 -1.40 0.00 0.00 179.01 178.97 1bl8 h THR 72 N 0.38 0.76 -0.92 1.13 2.02 -0.60 0.20 112.91 115.88 1bl8 h THR 72 Ca 0.20 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.42 1bl8 h THR 72 Cb 0.15 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.27 1bl8 h THR 72 CO -0.17 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.32 1bl8 h ALA 73 N 0.43 1.46 0.00 6.16 0.00 0.78 0.57 119.26 128.66 1bl8 h ALA 73 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1bl8 h ALA 73 Cb 0.26 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1bl8 h ALA 73 CO 0.06 0.42 0.00 2.41 0.00 0.00 0.00 179.25 182.13 1bl8 n THR 74 N -4.47 0.51 -3.21 0.00 -1.04 0.62 -4.22 114.28 102.46 1bl8 n THR 74 Ca 0.13 -0.16 -0.13 0.00 -2.04 0.00 0.00 64.05 61.85 1bl8 n THR 74 Cb 0.16 -0.64 0.01 0.00 -1.82 0.00 0.00 70.33 68.04 1bl8 n THR 74 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1bl8 n THR 75 N -2.09 -8.19 0.00 12.58 5.66 0.20 -4.94 114.28 117.49 1bl8 n THR 75 Ca 0.05 0.17 0.00 0.00 -3.05 0.00 0.00 64.05 61.23 1bl8 n THR 75 Cb 0.38 -5.76 0.00 0.00 -1.55 0.00 0.00 70.33 63.40 1bl8 n THR 75 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1bl8 n VAL 76 N -1.29 0.00 -3.53 1.08 0.31 -0.51 -5.02 118.33 109.37 1bl8 n VAL 76 Ca -0.04 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.95 1bl8 n VAL 76 Cb 0.55 -0.32 0.03 0.00 -0.91 0.00 0.00 33.84 33.19 1bl8 n VAL 76 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bl8 n GLY 77 N 2.48 -0.29 0.31 2.92 0.00 -1.25 -4.85 105.19 104.51 1bl8 n GLY 77 Ca 0.00 1.03 -0.02 0.00 0.00 0.00 0.00 46.02 47.02 1bl8 n GLY 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1bl8 h TYR 78 N 1.49 0.89 0.00 1.61 0.05 -1.90 -3.46 116.97 115.65 1bl8 h TYR 78 Ca -0.54 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.17 1bl8 h TYR 78 Cb 1.38 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 38.85 1bl8 h TYR 78 CO 0.07 0.71 0.00 0.41 -1.05 0.00 0.00 178.16 178.29 1bl8 n GLY 79 N -0.95 3.13 0.34 3.88 0.00 -1.26 -4.89 105.19 105.44 1bl8 n GLY 79 Ca 0.05 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.25 1bl8 n GLY 79 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1bl8 h ASP 80 N 0.00 0.00 -4.61 1.61 2.03 -2.01 -3.42 116.42 110.02 1bl8 h ASP 80 Ca 0.00 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.21 1bl8 h ASP 80 Cb 0.00 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 38.29 1bl8 h ASP 80 CO 0.00 0.00 -0.09 -0.76 -1.03 0.00 0.00 179.24 177.36 1bl8 s LEU 81 N -7.13 0.13 -0.17 0.15 1.43 -1.26 -4.91 118.68 106.92 1bl8 s LEU 81 Ca -0.04 0.61 -0.31 0.00 -1.03 0.00 0.00 54.13 53.35 1bl8 s LEU 81 Cb 0.14 1.80 0.14 0.00 0.03 0.00 0.00 46.19 48.30 1bl8 s LEU 81 CO 0.49 -0.40 1.10 -0.72 0.23 0.00 0.00 176.35 177.06 1bl8 s TYR 82 N -0.71 -0.24 0.51 0.29 1.13 -1.26 -4.86 117.35 112.21 1bl8 s TYR 82 Ca -0.08 0.33 -0.18 0.00 -1.41 0.00 0.00 57.07 55.73 1bl8 s TYR 82 Cb -0.03 0.49 -0.08 0.00 -1.10 0.00 0.00 41.96 41.24 1bl8 s TYR 82 CO 0.05 -0.28 1.00 -1.25 -2.51 0.00 0.00 175.55 172.56 1bl8 s PRO 83 N -1.69 3.84 0.00 -3.49 0.04 -1.26 -4.51 135.00 127.92 1bl8 s PRO 83 Ca 0.04 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1bl8 s PRO 83 Cb -0.01 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1bl8 s PRO 83 CO -0.03 -0.37 0.00 0.28 0.04 0.00 0.00 177.00 176.91 1bl8 n VAL 84 N -1.41 0.00 -2.60 -0.36 0.31 -1.26 -4.78 118.33 108.23 1bl8 n VAL 84 Ca 0.08 -0.16 -0.41 0.00 -0.01 0.00 0.00 64.34 63.84 1bl8 n VAL 84 Cb 0.53 0.66 -0.04 0.00 -0.91 0.00 0.00 33.84 34.09 1bl8 n VAL 84 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1bl8 s THR 85 N -0.90 4.16 0.21 2.52 2.01 -1.26 -4.93 115.64 117.45 1bl8 s THR 85 Ca 0.00 1.80 -0.12 0.00 0.31 0.00 0.00 61.69 63.68 1bl8 s THR 85 Cb 0.00 -4.15 0.22 0.00 0.01 0.00 0.00 72.50 68.58 1bl8 s THR 85 CO 0.00 0.28 1.64 0.25 -0.69 0.00 0.00 174.62 176.10 1bl8 h LEU 86 N 5.44 -0.47 0.28 4.42 5.85 -1.95 0.22 115.31 129.09 1bl8 h LEU 86 Ca -0.43 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1bl8 h LEU 86 Cb 1.21 0.35 0.00 0.00 0.37 0.00 0.00 40.66 42.59 1bl8 h LEU 86 CO 0.73 -0.18 -0.14 -0.50 -0.34 0.00 0.00 178.44 178.01 1bl8 h TRP 87 N 0.04 -0.35 -1.28 1.25 -0.00 -1.92 -2.29 115.95 111.39 1bl8 h TRP 87 Ca 0.31 -0.01 0.37 0.00 -0.00 0.00 0.00 58.89 59.57 1bl8 h TRP 87 Cb 0.49 0.12 -0.06 0.00 -0.00 0.00 0.00 29.16 29.71 1bl8 h TRP 87 CO -0.46 -0.09 0.91 0.78 -0.00 0.00 0.00 178.44 179.58 1bl8 h GLY 88 N -0.57 0.17 1.75 1.49 0.00 -1.44 1.58 103.07 106.06 1bl8 h GLY 88 Ca -0.04 -0.02 -0.17 0.00 0.00 0.00 0.00 47.33 47.10 1bl8 h GLY 88 CO 0.06 -0.03 -0.71 3.21 0.00 0.00 0.00 176.54 179.08 1bl8 h ARG 89 N 0.04 0.24 0.81 4.80 3.08 -0.08 -2.56 114.38 120.72 1bl8 h ARG 89 Ca 0.63 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.44 1bl8 h ARG 89 Cb 2.41 0.04 0.01 0.00 0.08 0.00 0.00 29.97 32.51 1bl8 h ARG 89 CO -0.05 0.85 -0.39 0.00 -1.07 0.00 0.00 179.97 179.31 1bl8 h VAL 91 N -1.27 0.24 0.70 0.00 2.07 -1.26 0.48 116.25 117.20 1bl8 h VAL 91 Ca -0.11 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1bl8 h VAL 91 Cb 0.83 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1bl8 h VAL 91 CO 0.18 0.02 -0.33 0.00 0.02 0.00 0.00 177.57 177.46 1bl8 h ALA 92 N 1.47 -0.94 -0.60 1.67 0.00 -0.99 -0.95 119.26 118.93 1bl8 h ALA 92 Ca 0.75 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.53 1bl8 h ALA 92 Cb 2.50 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 20.54 1bl8 h ALA 92 CO -0.25 -0.94 -0.42 0.28 0.00 0.00 0.00 179.25 177.92 1bl8 h VAL 93 N -1.11 0.09 0.07 0.00 2.07 0.75 0.10 116.25 118.23 1bl8 h VAL 93 Ca -0.10 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1bl8 h VAL 93 Cb 0.75 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1bl8 h VAL 93 CO 0.16 0.00 -0.28 0.58 0.02 0.00 0.00 177.57 178.05 1bl8 h VAL 94 N -0.21 0.00 0.00 2.57 2.07 -1.28 0.13 116.25 119.53 1bl8 h VAL 94 Ca 0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1bl8 h VAL 94 Cb 0.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1bl8 h VAL 94 CO -0.70 0.00 0.28 0.55 0.02 0.00 0.00 177.57 177.72 1bl8 n VAL 95 N -4.04 0.65 -0.02 2.57 3.14 -0.37 -1.76 118.33 118.50 1bl8 n VAL 95 Ca -0.05 0.74 -0.00 0.00 -2.96 0.00 0.00 64.34 62.07 1bl8 n VAL 95 Cb 0.22 -1.74 -0.00 0.00 -1.06 0.00 0.00 33.84 31.26 1bl8 n VAL 95 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 1bl8 h MET 96 N 0.00 0.00 -0.67 1.45 2.07 0.18 -3.29 114.93 114.67 1bl8 h MET 96 Ca 0.00 0.00 0.15 0.00 -2.07 0.00 0.00 59.70 57.78 1bl8 h MET 96 Cb 0.56 0.00 -0.11 0.00 -1.87 0.00 0.00 31.60 30.18 1bl8 h MET 96 CO 0.00 0.00 0.02 -0.39 1.07 0.00 0.00 176.91 177.61 1bl8 h VAL 97 N -0.33 0.45 -0.94 -2.22 -1.51 -0.72 0.48 116.25 111.45 1bl8 h VAL 97 Ca 0.00 -0.04 0.31 0.00 -1.23 0.00 0.00 66.70 65.73 1bl8 h VAL 97 Cb 0.00 0.31 -0.17 0.00 -2.13 0.00 0.00 31.29 29.30 1bl8 h VAL 97 CO 0.00 0.02 0.19 0.00 -1.23 0.00 0.00 177.57 176.56 1bl8 n ALA 98 N -2.83 0.66 -0.04 5.19 0.00 -0.72 0.12 120.51 122.89 1bl8 n ALA 98 Ca 0.11 0.99 -0.13 0.00 0.00 0.00 0.00 53.44 54.42 1bl8 n ALA 98 Cb 0.40 -0.82 -0.11 0.00 0.00 0.00 0.00 19.45 18.92 1bl8 n ALA 98 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1bl8 h GLY 99 N 0.00 -0.03 0.73 0.00 0.00 -0.13 0.70 103.07 104.35 1bl8 h GLY 99 Ca 0.65 0.01 0.14 0.00 0.00 0.00 0.00 47.33 48.13 1bl8 h GLY 99 CO -0.83 -0.01 0.50 -2.22 0.00 0.00 0.00 176.54 173.98 1bl8 h ILE 100 N -0.85 0.82 0.00 2.60 2.04 0.08 -1.08 117.51 121.12 1bl8 h ILE 100 Ca -0.00 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1bl8 h ILE 100 Cb 0.76 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1bl8 h ILE 100 CO 0.00 0.08 -0.11 0.74 0.00 0.00 0.00 178.15 178.87 1bl8 h THR 101 N 0.45 0.00 -1.37 -0.27 2.02 0.94 -2.76 112.91 111.93 1bl8 h THR 101 Ca 0.36 -0.50 0.43 0.00 0.77 0.00 0.00 66.41 67.47 1bl8 h THR 101 Cb 0.77 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.07 1bl8 h THR 101 CO -0.12 0.00 0.90 -1.28 0.37 0.00 0.00 175.52 175.39 1bl8 h SER 102 N -0.50 0.22 0.81 4.18 0.87 0.48 1.02 113.55 120.63 1bl8 h SER 102 Ca 0.00 0.11 -0.24 0.00 -1.23 0.00 0.00 61.79 60.43 1bl8 h SER 102 Cb 0.11 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 1bl8 h SER 102 CO 0.00 -0.13 -1.19 -0.26 -0.53 0.00 0.00 176.83 174.71 1bl8 h PHE 103 N 0.09 0.12 -0.30 2.24 0.04 -1.35 -3.32 116.94 114.47 1bl8 h PHE 103 Ca 0.80 -0.09 0.04 0.00 2.80 0.00 0.00 57.97 61.52 1bl8 h PHE 103 Cb 2.61 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 40.72 1bl8 h PHE 103 CO -0.00 1.08 0.09 0.78 -0.60 0.00 0.00 178.31 179.65 1bl8 h GLY 104 N 2.72 0.36 0.09 -1.45 0.00 0.14 -2.40 103.07 102.53 1bl8 h GLY 104 Ca -0.09 -0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.25 1bl8 h GLY 104 CO 0.14 0.01 -0.29 1.41 0.00 0.00 0.00 176.54 177.81 1bl8 h LEU 105 N 0.21 -0.94 -1.62 3.11 4.07 -1.56 0.35 115.31 118.94 1bl8 h LEU 105 Ca 0.14 0.15 0.26 0.00 0.08 0.00 0.00 57.88 58.51 1bl8 h LEU 105 Cb 0.12 0.42 -0.07 0.00 1.08 0.00 0.00 40.66 42.21 1bl8 h LEU 105 CO -0.16 -0.32 0.67 0.58 -1.08 0.00 0.00 178.44 178.13 1bl8 h VAL 106 N -0.32 0.55 -0.08 1.22 2.07 -1.55 1.16 116.25 119.31 1bl8 h VAL 106 Ca 0.13 -0.09 -0.20 0.00 0.82 0.00 0.00 66.70 67.36 1bl8 h VAL 106 Cb 0.51 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1bl8 h VAL 106 CO -0.40 0.05 -0.71 0.74 0.02 0.00 0.00 177.57 177.26 1bl8 h THR 107 N 0.27 1.33 0.38 2.57 2.02 -0.18 -2.49 112.91 116.81 1bl8 h THR 107 Ca 0.53 -2.00 -0.01 0.00 0.77 0.00 0.00 66.41 65.70 1bl8 h THR 107 Cb 1.57 2.24 -0.02 0.00 -1.74 0.00 0.00 68.15 70.20 1bl8 h THR 107 CO -0.17 0.61 -0.33 0.00 0.37 0.00 0.00 175.52 176.00 1bl8 h ALA 108 N 0.45 -0.74 -0.75 6.16 0.00 0.42 0.31 119.26 125.12 1bl8 h ALA 108 Ca -0.07 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.82 1bl8 h ALA 108 Cb 1.37 0.47 -0.12 0.00 0.00 0.00 0.00 17.79 19.51 1bl8 h ALA 108 CO 0.14 -0.95 -0.48 0.00 0.00 0.00 0.00 179.25 177.97 1bl8 h ALA 109 N -0.25 -0.34 -0.50 0.00 0.00 0.92 0.20 119.26 119.30 1bl8 h ALA 109 Ca -0.03 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1bl8 h ALA 109 Cb 0.64 1.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 1bl8 h ALA 109 CO -0.03 -0.85 0.26 -0.07 0.00 0.00 0.00 179.25 178.56 1bl8 h LEU 110 N -0.14 0.62 -1.51 0.00 4.07 -0.96 -1.66 115.31 115.72 1bl8 h LEU 110 Ca 0.20 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 1bl8 h LEU 110 Cb 0.53 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.10 1bl8 h LEU 110 CO -0.80 0.51 0.18 0.00 -1.08 0.00 0.00 178.44 177.25 1bl8 h ALA 111 N 1.59 1.63 0.16 1.53 0.00 0.28 -2.85 119.26 121.59 1bl8 h ALA 111 Ca 0.18 -0.08 -0.35 0.00 0.00 0.00 0.00 54.91 54.66 1bl8 h ALA 111 Cb 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1bl8 h ALA 111 CO -0.03 0.31 -1.78 1.79 0.00 0.00 0.00 179.25 179.54 1bl8 h THR 112 N 0.51 0.90 0.00 0.00 1.35 -0.93 -3.27 112.91 111.46 1bl8 h THR 112 Ca 0.13 -2.52 0.00 0.00 -0.55 0.00 0.00 66.41 63.47 1bl8 h THR 112 Cb 0.05 2.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1bl8 h THR 112 CO -0.02 0.85 0.00 1.87 -0.25 0.00 0.00 175.52 177.97 1bl8 n TRP 113 N -3.54 0.00 0.27 4.73 -0.00 -0.66 0.15 117.44 118.40 1bl8 n TRP 113 Ca -0.25 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.32 1bl8 n TRP 113 Cb 1.07 -0.05 -0.09 0.00 -0.00 0.00 0.00 31.31 32.24 1bl8 n TRP 113 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 1bl8 n PHE 114 N -1.05 0.00 0.01 5.87 3.01 -1.09 -4.17 117.46 120.04 1bl8 n PHE 114 Ca 0.04 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.51 1bl8 n PHE 114 Cb 0.02 -0.17 -0.10 0.00 -0.01 0.00 0.00 39.48 39.21 1bl8 n PHE 114 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1bl8 n VAL 115 N -1.68 0.91 0.60 -4.37 0.31 0.41 -3.96 118.33 110.55 1bl8 n VAL 115 Ca -0.00 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 1bl8 n VAL 115 Cb 0.29 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 1bl8 n VAL 115 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bl8 n GLY 116 N 1.41 1.16 2.62 2.92 0.00 0.23 -1.89 105.19 111.63 1bl8 n GLY 116 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 1bl8 n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bl8 n ARG 117 N 0.62 1.13 -0.01 1.61 5.12 -1.25 -4.82 116.66 119.06 1bl8 n ARG 117 Ca 0.00 -2.93 0.06 0.00 -1.93 0.00 0.00 57.85 53.05 1bl8 n ARG 117 Cb 0.28 -1.05 -0.10 0.00 -1.16 0.00 0.00 32.46 30.43 1bl8 n ARG 117 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1bl8 n GLU 118 N -0.11 0.46 0.00 5.56 0.28 -0.79 -5.08 120.64 120.95 1bl8 n GLU 118 Ca 0.08 -0.12 0.04 0.00 -0.16 0.00 0.00 57.16 57.00 1bl8 n GLU 118 Cb 0.80 -1.32 0.24 0.00 1.43 0.00 0.00 31.44 32.59 1bl8 n GLU 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97