#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0h s THR 4 N 0.00 4.01 -0.09 2.61 2.01 -1.26 -5.02 115.64 117.91 3a0h s THR 4 Ca 0.00 1.07 0.04 0.00 0.31 0.00 0.00 61.69 63.10 3a0h s THR 4 Cb 0.00 -4.24 -0.01 0.00 0.01 0.00 0.00 72.50 68.26 3a0h s THR 4 CO 0.00 -0.70 -0.20 0.28 -0.69 0.00 0.00 174.62 173.31 3a0h s THR 5 N 5.00 2.46 -0.41 -0.82 -1.32 -1.26 -5.08 115.64 114.21 3a0h s THR 5 Ca 0.58 -0.90 0.09 0.00 -1.21 0.00 0.00 61.69 60.25 3a0h s THR 5 Cb -0.14 -1.96 0.32 0.00 -1.51 0.00 0.00 72.50 69.22 3a0h s THR 5 CO 0.30 0.56 0.84 0.61 -2.21 0.00 0.00 174.62 174.72 3a0h n GLY 6 N 3.18 2.34 3.35 6.08 0.00 -1.26 -5.11 105.19 113.76 3a0h n GLY 6 Ca -0.18 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 3a0h n GLY 6 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a0h s GLU 7 N -1.24 2.10 -0.44 1.61 2.12 -1.26 -5.05 118.70 116.54 3a0h s GLU 7 Ca 0.33 -0.94 -0.21 0.00 0.36 0.00 0.00 54.97 54.51 3a0h s GLU 7 Cb 0.31 -2.08 -0.12 0.00 0.26 0.00 0.00 34.13 32.50 3a0h s GLU 7 CO -0.08 0.56 1.40 -2.13 -0.54 0.00 0.00 175.26 174.46 3a0h n ARG 8 N 2.24 0.00 -1.32 4.30 0.63 -1.26 -4.86 116.66 116.38 3a0h n ARG 8 Ca -0.16 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.39 3a0h n ARG 8 Cb 0.51 -0.86 0.03 0.00 0.45 0.00 0.00 32.46 32.60 3a0h n ARG 8 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3a0h n PRO 9 N 4.60 0.27 -0.07 -0.14 -0.02 -1.26 -5.03 135.00 133.34 3a0h n PRO 9 Ca 0.35 0.11 -0.04 0.00 -2.02 0.00 0.00 63.50 61.89 3a0h n PRO 9 Cb -0.00 -1.45 -0.01 0.00 -0.02 0.00 0.00 33.50 32.02 3a0h n PRO 9 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3a0h n PHE 10 N -1.82 0.94 -0.31 6.00 3.72 -1.26 -4.18 117.46 120.55 3a0h n PHE 10 Ca 0.09 0.41 0.20 0.00 -0.05 0.00 0.00 57.45 58.10 3a0h n PHE 10 Cb 0.48 -0.77 0.37 0.00 -0.94 0.00 0.00 39.48 38.62 3a0h n PHE 10 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3a0h n SER 11 N -4.60 0.05 0.00 4.37 7.64 -1.26 -0.13 113.62 119.69 3a0h n SER 11 Ca -0.07 1.55 0.00 0.00 1.01 0.00 0.00 58.87 61.36 3a0h n SER 11 Cb 0.26 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 3a0h n SER 11 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3a0h n ASP 12 N -5.26 0.00 0.10 6.43 2.03 -1.26 -1.04 116.55 117.55 3a0h n ASP 12 Ca 0.27 0.78 -0.03 0.00 0.52 0.00 0.00 54.79 56.33 3a0h n ASP 12 Cb 0.89 -0.37 0.01 0.00 -0.72 0.00 0.00 41.12 40.93 3a0h n ASP 12 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3a0h h ILE 13 N 0.00 1.45 0.00 5.18 6.09 -0.70 0.49 117.51 130.02 3a0h h ILE 13 Ca 0.00 -2.76 -0.05 0.00 -1.37 0.00 0.00 64.86 60.68 3a0h h ILE 13 Cb 0.00 2.53 -0.01 0.00 0.47 0.00 0.00 36.82 39.82 3a0h h ILE 13 CO 0.00 0.76 -0.24 0.40 -3.07 0.00 0.00 178.15 176.00 3a0h h ILE 14 N 0.00 0.72 -0.02 2.19 2.04 -1.16 -0.81 117.51 120.47 3a0h h ILE 14 Ca -0.01 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.81 3a0h h ILE 14 Cb 1.47 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.21 3a0h h ILE 14 CO 0.10 0.24 -0.28 0.41 0.00 0.00 0.00 178.15 178.62 3a0h n THR 15 N -3.58 0.00 -2.20 -0.27 -1.04 -0.21 -4.91 114.28 102.06 3a0h n THR 15 Ca -0.01 -0.36 -0.36 0.00 -2.04 0.00 0.00 64.05 61.28 3a0h n THR 15 Cb 0.38 1.33 0.00 0.00 -1.82 0.00 0.00 70.33 70.22 3a0h n THR 15 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3a0h s SER 16 N -2.18 5.85 0.15 8.00 0.15 0.17 -4.96 113.70 120.87 3a0h s SER 16 Ca 0.21 2.29 -0.06 0.00 0.70 0.00 0.00 55.95 59.08 3a0h s SER 16 Cb 0.18 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 3a0h s SER 16 CO 0.44 -1.14 1.41 0.58 1.20 0.00 0.00 173.24 175.73 3a0h h VAL 17 N 1.49 1.32 -0.30 4.45 2.07 -1.86 -3.28 116.25 120.14 3a0h h VAL 17 Ca -0.50 -1.97 -0.17 0.00 0.82 0.00 0.00 66.70 64.89 3a0h h VAL 17 Cb 1.26 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.97 3a0h h VAL 17 CO 0.58 0.61 -0.48 -0.09 0.02 0.00 0.00 177.57 178.21 3a0h h ARG 18 N 0.44 0.82 -0.12 1.57 2.43 -1.93 -3.09 114.38 114.49 3a0h h ARG 18 Ca -0.02 -0.48 0.02 0.00 -0.81 0.00 0.00 59.98 58.69 3a0h h ARG 18 Cb 1.28 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.82 3a0h h ARG 18 CO 0.13 1.11 -0.39 -0.92 -1.51 0.00 0.00 179.97 178.40 3a0h h TYR 19 N 0.65 -1.15 -0.08 2.20 5.03 -1.77 0.11 116.97 121.96 3a0h h TYR 19 Ca 0.03 0.05 0.02 0.00 2.58 0.00 0.00 58.73 61.41 3a0h h TYR 19 Cb 1.06 0.52 -0.00 0.00 1.55 0.00 0.00 36.73 39.86 3a0h h TYR 19 CO 0.06 -0.38 0.15 -1.49 -1.32 0.00 0.00 178.16 175.18 3a0h h TRP 20 N -0.39 0.00 0.02 -3.82 4.06 -1.63 -0.72 115.95 113.46 3a0h h TRP 20 Ca 0.03 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.67 3a0h h TRP 20 Cb 0.47 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.59 3a0h h TRP 20 CO -0.57 0.00 -1.78 0.28 -3.56 0.00 0.00 178.44 172.82 3a0h n VAL 21 N -3.45 1.64 -0.04 1.49 0.31 -0.60 -1.53 118.33 116.16 3a0h n VAL 21 Ca -0.01 -0.77 -0.13 0.00 -0.01 0.00 0.00 64.34 63.42 3a0h n VAL 21 Cb 0.24 -1.16 -0.11 0.00 -0.91 0.00 0.00 33.84 31.89 3a0h n VAL 21 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3a0h h ILE 22 N 0.01 1.56 0.27 2.52 2.04 -0.65 -3.40 117.51 119.87 3a0h h ILE 22 Ca -0.32 -1.69 -0.01 0.00 1.00 0.00 0.00 64.86 63.84 3a0h h ILE 22 Cb 2.02 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 40.80 3a0h h ILE 22 CO 0.08 0.44 -0.13 0.45 0.00 0.00 0.00 178.15 178.99 3a0h h HIS 23 N -0.73 -0.34 -0.64 1.37 3.86 -1.30 -3.14 115.15 114.22 3a0h h HIS 23 Ca -0.00 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.31 3a0h h HIS 23 Cb 0.72 0.11 -0.11 0.00 1.06 0.00 0.00 27.41 29.19 3a0h h HIS 23 CO 0.18 0.01 -0.23 -1.13 0.86 0.00 0.00 177.93 177.63 3a0h n SER 24 N -5.09 -0.36 -0.09 2.45 3.41 -0.58 0.67 113.62 114.03 3a0h n SER 24 Ca -0.09 1.11 -0.13 0.00 -0.26 0.00 0.00 58.87 59.50 3a0h n SER 24 Cb 0.26 -0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 63.89 3a0h n SER 24 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3a0h h ILE 25 N 0.00 1.30 0.11 -1.33 3.07 -1.77 -3.36 117.51 115.53 3a0h h ILE 25 Ca 0.25 -1.52 -0.27 0.00 1.55 0.00 0.00 64.86 64.87 3a0h h ILE 25 Cb 0.41 1.58 -0.00 0.00 -0.27 0.00 0.00 36.82 38.53 3a0h h ILE 25 CO -0.64 0.49 -1.25 0.71 -1.05 0.00 0.00 178.15 176.41 3a0h h THR 26 N 0.51 1.48 0.03 0.16 1.35 0.29 -3.29 112.91 113.45 3a0h h THR 26 Ca 0.04 -3.08 -0.00 0.00 -0.55 0.00 0.00 66.41 62.83 3a0h h THR 26 Cb 0.92 2.92 -0.00 0.00 -1.73 0.00 0.00 68.15 70.26 3a0h h THR 26 CO 0.08 0.89 -0.04 0.40 -0.25 0.00 0.00 175.52 176.60 3a0h h ILE 27 N 0.07 0.00 0.00 6.82 5.03 -0.59 0.72 117.51 129.55 3a0h h ILE 27 Ca -0.13 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.61 3a0h h ILE 27 Cb 1.96 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.75 3a0h h ILE 27 CO 0.19 0.00 0.13 -2.65 -0.68 0.00 0.00 178.15 175.15 3a0h n PRO 28 N -2.57 0.03 0.18 2.37 -0.02 -1.26 0.85 135.00 134.57 3a0h n PRO 28 Ca -0.01 0.44 0.02 0.00 -2.02 0.00 0.00 63.50 61.93 3a0h n PRO 28 Cb 0.04 -1.73 0.33 0.00 -0.02 0.00 0.00 33.50 32.12 3a0h n PRO 28 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a0h h ALA 29 N 1.52 1.30 0.03 3.55 0.00 -0.93 0.98 119.26 125.71 3a0h h ALA 29 Ca 0.00 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.38 3a0h h ALA 29 Cb 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3a0h h ALA 29 CO 0.00 0.51 -0.83 -0.07 0.00 0.00 0.00 179.25 178.86 3a0h h LEU 30 N 0.00 0.09 -0.75 0.00 3.38 0.79 -0.54 115.31 118.29 3a0h h LEU 30 Ca -0.00 -0.77 0.15 0.00 0.09 0.00 0.00 57.88 57.35 3a0h h LEU 30 Cb 0.73 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.35 3a0h h LEU 30 CO 0.05 1.34 0.25 0.15 0.09 0.00 0.00 178.44 180.32 3a0h h PHE 31 N -0.84 0.41 -0.06 1.13 3.57 -1.14 0.31 116.94 120.32 3a0h h PHE 31 Ca -0.21 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.30 3a0h h PHE 31 Cb 1.30 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.97 3a0h h PHE 31 CO 0.17 -0.01 -0.07 0.82 -2.23 0.00 0.00 178.31 177.00 3a0h h ILE 32 N 0.36 1.38 -0.44 1.41 1.08 0.90 -2.63 117.51 119.56 3a0h h ILE 32 Ca 0.42 -1.24 0.09 0.00 -0.39 0.00 0.00 64.86 63.74 3a0h h ILE 32 Cb 0.68 2.07 -0.09 0.00 -3.07 0.00 0.00 36.82 36.41 3a0h h ILE 32 CO -0.45 0.34 -0.14 0.00 -0.69 0.00 0.00 178.15 177.21 3a0h h ALA 33 N 0.54 0.25 -0.31 1.87 0.00 0.27 0.82 119.26 122.70 3a0h h ALA 33 Ca 0.01 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3a0h h ALA 33 Cb 0.58 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3a0h h ALA 33 CO 0.02 -0.48 0.07 0.78 0.00 0.00 0.00 179.25 179.64 3a0h h GLY 34 N -0.04 0.36 0.28 0.00 0.00 -0.46 -1.17 103.07 102.04 3a0h h GLY 34 Ca 0.21 -0.03 0.10 0.00 0.00 0.00 0.00 47.33 47.62 3a0h h GLY 34 CO -0.48 -0.01 0.13 -0.25 0.00 0.00 0.00 176.54 175.94 3a0h h TRP 35 N 0.18 0.22 -0.76 5.60 2.91 -0.78 -0.58 115.95 122.74 3a0h h TRP 35 Ca 0.14 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 60.14 3a0h h TRP 35 Cb 0.15 -0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 28.76 3a0h h TRP 35 CO -0.17 -0.00 0.25 -0.07 -1.03 0.00 0.00 178.44 177.43 3a0h h LEU 36 N 0.28 1.10 -1.60 0.65 3.38 -0.39 0.20 115.31 118.93 3a0h h LEU 36 Ca 0.29 -0.20 0.15 0.00 0.09 0.00 0.00 57.88 58.21 3a0h h LEU 36 Cb 0.41 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3a0h h LEU 36 CO -0.36 1.01 0.50 0.15 0.09 0.00 0.00 178.44 179.83 3a0h h PHE 37 N 1.13 0.47 0.04 1.13 3.57 0.11 0.91 116.94 124.30 3a0h h PHE 37 Ca 0.25 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.64 3a0h h PHE 37 Cb 0.29 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3a0h h PHE 37 CO 0.02 0.18 -0.63 0.28 -2.23 0.00 0.00 178.31 175.94 3a0h h VAL 38 N 0.40 1.44 -0.03 1.41 2.07 -0.78 -2.22 116.25 118.53 3a0h h VAL 38 Ca 0.36 -2.35 0.01 0.00 0.82 0.00 0.00 66.70 65.55 3a0h h VAL 38 Cb 0.85 2.99 -0.02 0.00 -1.52 0.00 0.00 31.29 33.59 3a0h h VAL 38 CO -0.11 0.57 -0.05 -1.28 0.02 0.00 0.00 177.57 176.71 3a0h h SER 39 N -0.80 -0.16 -0.95 0.57 0.87 0.22 -1.51 113.55 111.79 3a0h h SER 39 Ca -0.15 0.03 0.20 0.00 -1.23 0.00 0.00 61.79 60.64 3a0h h SER 39 Cb 1.28 0.08 -0.08 0.00 -0.44 0.00 0.00 62.40 63.23 3a0h h SER 39 CO -0.02 -0.08 0.61 0.74 -0.53 0.00 0.00 176.83 177.56 3a0h h THR 40 N -0.08 0.69 0.00 2.23 2.02 -1.05 -3.45 112.91 113.27 3a0h h THR 40 Ca 0.03 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3a0h h THR 40 Cb 0.12 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 3a0h h THR 40 CO -0.08 0.10 0.00 0.61 0.37 0.00 0.00 175.52 176.52 3a0h n GLY 41 N -1.45 0.78 0.12 2.16 0.00 -0.57 -4.97 105.19 101.27 3a0h n GLY 41 Ca 0.21 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 3a0h n GLY 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3a0h h LEU 42 N 0.00 0.42 -1.07 0.99 5.85 -1.76 -3.20 115.31 116.53 3a0h h LEU 42 Ca 0.00 -0.39 0.37 0.00 0.84 0.00 0.00 57.88 58.69 3a0h h LEU 42 Cb 0.00 -0.13 -0.15 0.00 0.37 0.00 0.00 40.66 40.75 3a0h h LEU 42 CO 0.00 1.24 0.61 0.00 -0.34 0.00 0.00 178.44 179.95 3a0h h ALA 43 N 0.71 2.14 0.73 1.25 0.00 -1.70 0.56 119.26 122.96 3a0h h ALA 43 Ca -0.10 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3a0h h ALA 43 Cb 1.76 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3a0h h ALA 43 CO 0.18 -0.80 -0.38 1.88 0.00 0.00 0.00 179.25 180.13 3a0h h TYR 44 N 0.20 -0.98 0.00 0.00 0.05 -1.80 -1.73 116.97 112.71 3a0h h TYR 44 Ca 0.78 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.53 3a0h h TYR 44 Cb 1.97 0.33 -0.00 0.00 1.01 0.00 0.00 36.73 40.04 3a0h h TYR 44 CO -0.01 -0.59 -0.04 -0.44 -1.05 0.00 0.00 178.16 176.03 3a0h h ASP 45 N -1.01 0.00 -0.40 3.88 3.32 -1.15 0.12 116.42 121.18 3a0h h ASP 45 Ca -0.10 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3a0h h ASP 45 Cb 0.79 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 3a0h h ASP 45 CO 0.15 0.04 0.20 0.58 -1.72 0.00 0.00 179.24 178.48 3a0h h VAL 46 N 0.00 1.17 0.00 -1.35 2.07 0.38 -3.30 116.25 115.21 3a0h h VAL 46 Ca -0.00 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3a0h h VAL 46 Cb 0.09 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3a0h h VAL 46 CO 0.00 0.18 -0.51 0.49 0.02 0.00 0.00 177.57 177.76 3a0h n PHE 47 N -4.71 0.00 0.00 1.57 0.99 -0.68 -4.97 117.46 109.66 3a0h n PHE 47 Ca 0.00 -1.46 0.00 0.00 -0.00 0.00 0.00 57.45 55.99 3a0h n PHE 47 Cb 0.10 -0.25 0.00 0.00 -1.00 0.00 0.00 39.48 38.34 3a0h n PHE 47 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3a0h n GLY 48 N -1.08 0.01 2.71 1.37 0.00 0.33 -4.84 105.19 103.69 3a0h n GLY 48 Ca 0.19 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.71 3a0h n GLY 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a0h n THR 49 N -0.37 0.00 -1.81 2.61 -1.04 -1.09 -4.84 114.28 107.74 3a0h n THR 49 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 3a0h n THR 49 Cb 0.00 -0.39 0.04 0.00 -1.82 0.00 0.00 70.33 68.16 3a0h n THR 49 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3a0h s PRO 50 N 3.87 2.85 -0.10 -2.82 0.02 -1.26 -4.55 135.00 133.01 3a0h s PRO 50 Ca 0.90 1.44 -0.03 0.00 0.02 0.00 0.00 61.00 63.33 3a0h s PRO 50 Cb -1.18 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 31.35 3a0h s PRO 50 CO 0.57 -1.22 0.03 -0.98 -0.33 0.00 0.00 177.00 175.07 3a0h s ARG 51 N -3.97 3.13 0.08 5.54 1.70 -1.26 -4.97 118.95 119.20 3a0h s ARG 51 Ca 0.68 -0.35 0.05 0.00 -0.47 0.00 0.00 55.73 55.64 3a0h s ARG 51 Cb -0.21 -2.90 0.28 0.00 -0.57 0.00 0.00 34.95 31.55 3a0h s ARG 51 CO 0.40 0.70 0.32 -2.30 -1.08 0.00 0.00 175.30 173.33 3a0h n PRO 52 N 2.18 -0.01 0.30 3.89 -0.02 -1.26 0.29 135.00 140.37 3a0h n PRO 52 Ca -0.19 0.28 0.17 0.00 -2.02 0.00 0.00 63.50 61.74 3a0h n PRO 52 Cb 0.54 -0.50 0.93 0.00 -0.02 0.00 0.00 33.50 34.44 3a0h n PRO 52 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3a0h h ASP 53 N 0.00 0.00 -1.79 2.55 3.58 -1.99 -3.35 116.42 115.41 3a0h h ASP 53 Ca 0.17 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 57.10 3a0h h ASP 53 Cb 0.48 0.00 -0.36 0.00 1.72 0.00 0.00 39.33 41.16 3a0h h ASP 53 CO -0.15 0.04 -1.05 -1.20 -2.88 0.00 0.00 179.24 174.00 3a0h n SER 54 N -3.47 -0.14 -0.13 2.28 7.64 0.85 -4.90 113.62 115.76 3a0h n SER 54 Ca -0.02 -2.76 -0.26 0.00 1.01 0.00 0.00 58.87 56.84 3a0h n SER 54 Cb 0.15 -0.39 -0.10 0.00 -1.01 0.00 0.00 64.21 62.87 3a0h n SER 54 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3a0h n TYR 55 N 1.42 0.00 -4.29 1.43 4.01 -1.26 -4.34 117.16 114.13 3a0h n TYR 55 Ca 0.20 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.64 3a0h n TYR 55 Cb 0.54 -0.96 -0.10 0.00 -0.31 0.00 0.00 39.34 38.51 3a0h n TYR 55 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3a0h s TYR 56 N -2.49 2.69 0.05 -0.72 1.51 -1.26 -4.90 117.35 112.23 3a0h s TYR 56 Ca -0.36 -0.18 -0.01 0.00 -1.01 0.00 0.00 57.07 55.51 3a0h s TYR 56 Cb 0.13 -1.43 0.01 0.00 -0.11 0.00 0.00 41.96 40.57 3a0h s TYR 56 CO 0.49 0.40 0.03 0.00 -1.11 0.00 0.00 175.55 175.36 3a0h n ALA 57 N 0.85 -0.18 -0.04 3.71 0.00 -1.26 -4.83 120.51 118.77 3a0h n ALA 57 Ca -0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 3a0h n ALA 57 Cb 0.52 -0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 3a0h n ALA 57 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3a0h h GLN 58 N 0.00 -0.04 0.13 0.00 -0.00 -1.98 -3.42 115.11 109.80 3a0h h GLN 58 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.63 3a0h h GLN 58 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.53 3a0h h GLN 58 CO 0.01 0.13 -0.06 0.93 0.00 0.00 0.00 178.83 179.83 3a0h h GLU 59 N -1.01 -0.17 -5.40 1.69 4.39 -2.01 -3.47 114.58 108.60 3a0h h GLU 59 Ca -0.00 0.01 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 3a0h h GLU 59 Cb 0.18 0.04 0.19 0.00 -0.10 0.00 0.00 28.75 29.07 3a0h h GLU 59 CO 0.01 -0.11 -1.42 0.00 -1.16 0.00 0.00 179.01 176.32 3a0h n GLN 60 N -3.67 0.00 0.00 2.33 10.64 -1.26 -4.95 117.38 120.47 3a0h n GLN 60 Ca -0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 3a0h n GLN 60 Cb 0.07 -0.90 0.00 0.00 -0.86 0.00 0.00 30.24 28.55 3a0h n GLN 60 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3a0h n ARG 61 N 1.88 6.22 -1.67 2.61 5.12 -1.26 -4.66 116.66 124.90 3a0h n ARG 61 Ca 0.02 -0.03 -0.29 0.00 -1.93 0.00 0.00 57.85 55.62 3a0h n ARG 61 Cb 0.47 -0.50 0.09 0.00 -1.16 0.00 0.00 32.46 31.36 3a0h n ARG 61 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3a0h s SER 62 N -0.90 4.41 -0.18 0.55 0.15 -1.26 -5.06 113.70 111.41 3a0h s SER 62 Ca 0.00 1.10 -0.10 0.00 0.70 0.00 0.00 55.95 57.64 3a0h s SER 62 Cb 0.00 -1.76 -0.05 0.00 -1.71 0.00 0.00 66.02 62.50 3a0h s SER 62 CO 0.00 -2.00 0.16 -0.63 1.20 0.00 0.00 173.24 171.97 3a0h s ILE 63 N -3.29 5.40 -0.77 6.45 1.09 -1.26 -4.92 121.20 123.90 3a0h s ILE 63 Ca 0.61 0.26 -0.22 0.00 -1.10 0.00 0.00 60.65 60.20 3a0h s ILE 63 Cb -0.13 -3.49 -0.16 0.00 -1.06 0.00 0.00 42.46 37.61 3a0h s ILE 63 CO 0.53 0.45 1.92 -2.65 -0.10 0.00 0.00 174.94 175.09 3a0h n PRO 64 N 3.33 1.49 -3.33 2.79 -0.02 -1.26 -4.92 135.00 133.07 3a0h n PRO 64 Ca -0.16 -1.84 -0.38 0.00 -2.02 0.00 0.00 63.50 59.10 3a0h n PRO 64 Cb 0.52 -2.92 -0.06 0.00 -0.02 0.00 0.00 33.50 31.02 3a0h n PRO 64 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3a0h s LEU 65 N 1.27 4.32 -0.10 2.45 1.98 -1.26 -5.00 118.68 122.34 3a0h s LEU 65 Ca 0.58 0.87 -0.29 0.00 -2.89 0.00 0.00 54.13 52.39 3a0h s LEU 65 Cb 0.14 -2.70 -0.07 0.00 0.66 0.00 0.00 46.19 44.23 3a0h s LEU 65 CO 0.12 0.06 2.03 -0.69 -1.89 0.00 0.00 176.35 175.99 3a0h s VAL 66 N 0.27 3.10 -0.19 1.68 1.01 -1.26 -4.91 120.40 120.09 3a0h s VAL 66 Ca 0.26 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 62.14 3a0h s VAL 66 Cb -0.16 -3.10 -0.17 0.00 0.00 0.00 0.00 36.38 32.95 3a0h s VAL 66 CO 0.11 -0.04 0.23 0.74 0.00 0.00 0.00 175.10 176.14 3a0h h THR 67 N 6.32 0.88 -3.19 3.92 2.02 -1.95 -3.47 112.91 117.44 3a0h h THR 67 Ca -0.44 -2.02 -0.67 0.00 0.77 0.00 0.00 66.41 64.05 3a0h h THR 67 Cb 1.23 2.03 -0.33 0.00 -1.74 0.00 0.00 68.15 69.34 3a0h h THR 67 CO 0.96 0.30 -0.82 -0.62 0.37 0.00 0.00 175.52 175.71 3a0h s ASP 68 N -6.61 3.53 0.57 4.18 2.15 -1.26 -5.01 116.67 114.22 3a0h s ASP 68 Ca -0.25 -0.61 0.32 0.00 0.43 0.00 0.00 52.55 52.44 3a0h s ASP 68 Cb 0.04 -1.56 1.44 0.00 -0.30 0.00 0.00 42.92 42.54 3a0h s ASP 68 CO 0.54 -0.02 1.78 0.08 -0.17 0.00 0.00 175.17 177.39 3a0h h ARG 69 N 7.99 0.00 0.08 4.34 0.11 -1.98 -1.64 114.38 123.27 3a0h h ARG 69 Ca -0.44 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.31 3a0h h ARG 69 Cb 1.14 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.19 3a0h h ARG 69 CO 0.62 0.00 -1.88 1.19 0.10 0.00 0.00 179.97 180.00 3a0h n PHE 70 N -3.89 1.18 -1.79 4.08 3.72 -1.26 -4.14 117.46 115.36 3a0h n PHE 70 Ca 0.18 0.31 -0.30 0.00 -0.05 0.00 0.00 57.45 57.59 3a0h n PHE 70 Cb 1.05 -1.18 0.04 0.00 -0.94 0.00 0.00 39.48 38.45 3a0h n PHE 70 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3a0h n GLU 71 N -3.32 3.18 -0.11 -1.08 -0.58 -1.02 -4.69 120.64 113.02 3a0h n GLU 71 Ca -0.26 -3.81 -0.11 0.00 -0.42 0.00 0.00 57.16 52.55 3a0h n GLU 71 Cb 1.05 -2.28 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 3a0h n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3a0h h ALA 72 N 2.21 0.46 -0.78 0.62 0.00 -1.47 -3.05 119.26 117.24 3a0h h ALA 72 Ca 0.47 -0.28 0.18 0.00 0.00 0.00 0.00 54.91 55.28 3a0h h ALA 72 Cb 1.09 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.64 3a0h h ALA 72 CO 1.14 0.28 0.16 -0.22 0.00 0.00 0.00 179.25 180.61 3a0h h LYS 73 N 0.42 0.22 0.43 0.00 1.63 -1.87 -0.80 116.57 116.60 3a0h h LYS 73 Ca 0.09 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.85 3a0h h LYS 73 Cb 0.55 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.13 3a0h h LYS 73 CO 0.03 0.15 -0.27 0.37 -3.45 0.00 0.00 179.45 176.27 3a0h h GLN 74 N 0.23 -0.64 0.00 1.90 5.75 -1.92 -2.82 115.11 117.61 3a0h h GLN 74 Ca 0.45 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.99 3a0h h GLN 74 Cb 0.81 0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.51 3a0h h GLN 74 CO -0.58 -0.42 0.00 1.04 -2.65 0.00 0.00 178.83 176.22 3a0h n GLN 75 N -4.02 0.00 -0.17 1.69 3.00 -0.39 0.68 117.38 118.17 3a0h n GLN 75 Ca -0.08 0.38 -0.04 0.00 -0.01 0.00 0.00 57.00 57.25 3a0h n GLN 75 Cb 0.28 -0.69 -0.04 0.00 0.00 0.00 0.00 30.24 29.79 3a0h n GLN 75 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 3a0h n VAL 76 N -1.19 -0.28 0.00 5.09 0.24 -0.70 -0.60 118.33 120.89 3a0h n VAL 76 Ca 0.00 1.00 0.00 0.00 -2.04 0.00 0.00 64.34 63.30 3a0h n VAL 76 Cb 0.00 -1.24 0.00 0.00 -1.47 0.00 0.00 33.84 31.13 3a0h n VAL 76 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3a0h n GLU 77 N -4.53 0.00 0.30 7.34 1.02 0.22 0.71 120.64 125.70 3a0h n GLU 77 Ca 0.01 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 3a0h n GLU 77 Cb 0.11 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 3a0h n GLU 77 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3a0h n THR 78 N -1.43 0.00 -0.06 2.62 -2.24 0.23 0.37 114.28 113.78 3a0h n THR 78 Ca 0.00 0.93 -0.04 0.00 -2.27 0.00 0.00 64.05 62.67 3a0h n THR 78 Cb 0.00 -1.87 -0.01 0.00 -2.10 0.00 0.00 70.33 66.35 3a0h n THR 78 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3a0h n PHE 79 N -2.35 0.75 0.26 4.78 0.99 -0.33 -3.32 117.46 118.24 3a0h n PHE 79 Ca 0.00 0.33 0.16 0.00 -0.00 0.00 0.00 57.45 57.93 3a0h n PHE 79 Cb 0.93 -0.67 0.74 0.00 -1.00 0.00 0.00 39.48 39.48 3a0h n PHE 79 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3a0h h LEU 80 N -0.79 0.00 0.00 4.37 3.38 0.74 0.91 115.31 123.93 3a0h h LEU 80 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a0h h LEU 80 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3a0h h LEU 80 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.74 3a0h n GLU 81 N -3.08 0.00 -0.37 1.13 4.07 1.16 -3.72 120.64 119.83 3a0h n GLU 81 Ca 0.01 0.00 0.28 0.00 -0.06 0.00 0.00 57.16 57.39 3a0h n GLU 81 Cb 0.51 -0.45 0.55 0.00 -0.06 0.00 0.00 31.44 31.99 3a0h n GLU 81 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 3a0h h GLN 82 N 0.00 0.26 -6.72 5.31 1.08 -1.52 -3.38 115.11 110.14 3a0h h GLN 82 Ca 0.00 -0.02 -0.54 0.00 -1.45 0.00 0.00 58.65 56.64 3a0h h GLN 82 Cb 0.00 -0.06 0.08 0.00 -0.05 0.00 0.00 27.48 27.45 3a0h h GLN 82 CO 0.00 0.17 0.84 1.28 -0.95 0.00 0.00 178.83 180.17 3a0h n LEU 83 N -4.79 4.00 0.00 1.46 4.32 0.30 -4.96 117.00 117.34 3a0h n LEU 83 Ca 0.32 1.13 0.00 0.00 -0.02 0.00 0.00 56.01 57.44 3a0h n LEU 83 Cb 1.11 -1.55 0.00 0.00 -1.62 0.00 0.00 43.42 41.36 3a0h n LEU 83 CO 0.19 0.01 0.00 0.29 -1.22 0.00 0.00 177.39 176.66