#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3x s GLY 2 N 0.00 1.53 0.18 0.00 0.00 -0.96 -4.84 107.32 103.22 1x3x s GLY 2 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 44.72 44.31 1x3x s GLY 2 CO 0.00 0.35 1.43 -0.55 0.00 0.00 0.00 173.10 174.32 1x3x h ASP 3 N -2.58 0.37 -3.60 1.64 3.45 -1.94 -3.38 116.42 110.38 1x3x h ASP 3 Ca -0.56 -0.26 -0.57 0.00 0.43 0.00 0.00 57.03 56.07 1x3x h ASP 3 Cb 1.33 -0.11 0.17 0.00 -0.56 0.00 0.00 39.33 40.16 1x3x h ASP 3 CO 0.48 1.01 0.09 0.29 -1.57 0.00 0.00 179.24 179.53 1x3x n LYS 4 N -3.78 0.77 -4.95 3.56 4.76 -1.25 -4.83 118.16 112.43 1x3x n LYS 4 Ca -0.04 0.31 -0.27 0.00 -2.87 0.00 0.00 58.31 55.44 1x3x n LYS 4 Cb 0.73 -2.16 -0.16 0.00 -1.84 0.00 0.00 35.03 31.61 1x3x n LYS 4 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1x3x s LYS 5 N -2.88 1.93 0.05 1.97 1.02 -1.26 -1.42 119.74 119.16 1x3x s LYS 5 Ca 0.76 -0.69 0.03 0.00 0.02 0.00 0.00 55.97 56.09 1x3x s LYS 5 Cb -0.40 -1.69 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 1x3x s LYS 5 CO 0.47 0.30 -0.09 0.71 -0.92 0.00 0.00 175.35 175.82 1x3x s TYR 6 N -0.07 0.77 0.50 3.18 1.51 -0.09 -4.86 117.35 118.29 1x3x s TYR 6 Ca -0.02 -0.50 -0.06 0.00 -1.01 0.00 0.00 57.07 55.48 1x3x s TYR 6 Cb -0.12 -0.46 -0.03 0.00 -0.11 0.00 0.00 41.96 41.25 1x3x s TYR 6 CO 0.02 -0.06 0.81 0.95 -1.11 0.00 0.00 175.55 176.17 1x3x s THR 7 N -1.39 4.83 0.44 -0.71 -4.23 -1.26 0.50 115.64 113.81 1x3x s THR 7 Ca -0.08 0.25 0.24 0.00 -1.18 0.00 0.00 61.69 60.91 1x3x s THR 7 Cb -0.10 -3.85 0.26 0.00 1.34 0.00 0.00 72.50 70.16 1x3x s THR 7 CO 0.01 -0.86 2.06 0.07 -0.54 0.00 0.00 174.62 175.36 1x3x h LYS 8 N 0.15 0.00 -0.20 3.99 2.10 -1.98 -1.48 116.57 119.15 1x3x h LYS 8 Ca -0.47 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.06 1x3x h LYS 8 Cb 1.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 1x3x h LYS 8 CO 0.62 0.13 -0.39 0.93 -2.00 0.00 0.00 179.45 178.74 1x3x h GLU 9 N 0.00 0.46 -0.29 0.07 3.07 -1.96 -1.21 114.58 114.73 1x3x h GLU 9 Ca -0.00 -0.22 -0.11 0.00 -0.50 0.00 0.00 59.36 58.53 1x3x h GLU 9 Cb 0.31 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1x3x h GLU 9 CO 0.02 0.78 -0.24 0.93 -1.40 0.00 0.00 179.01 179.09 1x3x h GLU 10 N 0.38 0.67 -0.69 2.33 5.08 -1.66 -3.09 114.58 117.59 1x3x h GLU 10 Ca 0.04 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 1x3x h GLU 10 Cb 0.85 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 1x3x h GLU 10 CO 0.07 0.94 0.33 0.28 -1.00 0.00 0.00 179.01 179.63 1x3x h VAL 11 N 0.41 1.22 -0.65 3.13 2.07 -1.21 -2.89 116.25 118.34 1x3x h VAL 11 Ca 0.05 -0.64 0.18 0.00 0.82 0.00 0.00 66.70 67.12 1x3x h VAL 11 Cb 0.80 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1x3x h VAL 11 CO 0.06 0.27 0.46 0.00 0.02 0.00 0.00 177.57 178.38 1x3x h ALA 12 N 1.38 2.57 0.00 1.67 0.00 -1.13 -1.66 119.26 122.08 1x3x h ALA 12 Ca 0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1x3x h ALA 12 Cb 0.11 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1x3x h ALA 12 CO -0.03 -0.76 -0.13 0.87 0.00 0.00 0.00 179.25 179.20 1x3x h LYS 13 N 0.03 0.00 -3.64 0.00 1.57 -1.58 -3.32 116.57 109.63 1x3x h LYS 13 Ca 0.31 0.00 -0.76 0.00 -1.87 0.00 0.00 60.65 58.33 1x3x h LYS 13 Cb 1.20 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.33 1x3x h LYS 13 CO -0.01 0.13 1.76 0.72 -0.57 0.00 0.00 179.45 181.47 1x3x n HIS 14 N -3.49 3.24 -1.30 -1.35 8.25 -0.62 -4.72 115.22 115.22 1x3x n HIS 14 Ca -0.01 -2.88 0.04 0.00 -0.26 0.00 0.00 57.72 54.61 1x3x n HIS 14 Cb 0.29 -1.91 0.20 0.00 1.12 0.00 0.00 29.99 29.69 1x3x n HIS 14 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1x3x n ASN 15 N 3.85 2.53 -4.41 0.41 2.04 -1.08 -1.83 115.26 116.78 1x3x n ASN 15 Ca 0.37 -3.49 -0.20 0.00 -0.44 0.00 0.00 54.58 50.82 1x3x n ASN 15 Cb 0.37 -0.54 -0.10 0.00 -2.53 0.00 0.00 39.78 36.97 1x3x n ASN 15 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1x3x s THR 16 N -3.07 1.29 0.51 5.53 -4.23 -0.92 -4.83 115.64 109.92 1x3x s THR 16 Ca 0.39 -2.05 0.23 0.00 -1.18 0.00 0.00 61.69 59.08 1x3x s THR 16 Cb 0.35 -2.55 0.29 0.00 1.34 0.00 0.00 72.50 71.93 1x3x s THR 16 CO 0.01 -0.20 2.14 0.06 -0.54 0.00 0.00 174.62 176.09 1x3x h GLN 17 N 2.27 0.00 -0.24 3.99 3.07 -1.98 -1.64 115.11 120.59 1x3x h GLN 17 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.34 1x3x h GLN 17 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.79 1x3x h GLN 17 CO 0.67 0.06 0.00 0.09 0.09 0.00 0.00 178.83 179.75 1x3x n ASN 18 N -4.05 2.77 -2.75 0.06 5.03 -1.26 -4.48 115.26 110.58 1x3x n ASN 18 Ca -0.03 -1.89 -0.06 0.00 0.87 0.00 0.00 54.58 53.48 1x3x n ASN 18 Cb 0.15 -0.15 0.03 0.00 -1.02 0.00 0.00 39.78 38.79 1x3x n ASN 18 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1x3x n ASP 19 N 1.07 -3.21 -4.13 6.41 4.64 -0.68 -4.98 116.55 115.66 1x3x n ASP 19 Ca 0.17 -3.05 -0.34 0.00 -1.38 0.00 0.00 54.79 50.19 1x3x n ASP 19 Cb 0.52 1.77 -0.14 0.00 -1.04 0.00 0.00 41.12 42.23 1x3x n ASP 19 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 1x3x s LEU 20 N 0.23 4.07 0.13 -2.67 0.20 -0.81 -2.17 118.68 117.67 1x3x s LEU 20 Ca 0.31 -1.47 0.09 0.00 0.69 0.00 0.00 54.13 53.74 1x3x s LEU 20 Cb 0.10 -1.69 -0.04 0.00 -0.43 0.00 0.00 46.19 44.12 1x3x s LEU 20 CO -0.13 -0.30 -0.17 0.26 -0.29 0.00 0.00 176.35 175.73 1x3x s TRP 21 N 1.18 2.55 0.13 5.38 0.52 -0.76 0.26 118.94 128.20 1x3x s TRP 21 Ca -0.03 -0.25 -0.00 0.00 0.02 0.00 0.00 56.10 55.84 1x3x s TRP 21 Cb -0.20 -1.33 -0.04 0.00 -1.15 0.00 0.00 33.47 30.74 1x3x s TRP 21 CO -0.03 0.41 0.03 0.96 0.02 0.00 0.00 176.95 178.34 1x3x s ILE 22 N -1.25 0.28 -0.09 2.03 -5.25 -0.24 0.23 121.20 116.91 1x3x s ILE 22 Ca 0.19 -1.92 0.02 0.00 -0.99 0.00 0.00 60.65 57.95 1x3x s ILE 22 Cb -0.10 -2.00 -0.02 0.00 2.95 0.00 0.00 42.46 43.29 1x3x s ILE 22 CO 0.11 -0.54 -0.13 -0.63 -1.79 0.00 0.00 174.94 171.96 1x3x s ILE 23 N -3.92 3.08 -0.13 8.37 1.01 -0.32 -0.61 121.20 128.67 1x3x s ILE 23 Ca 0.22 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 60.15 1x3x s ILE 23 Cb 0.07 -2.25 0.05 0.00 0.01 0.00 0.00 42.46 40.34 1x3x s ILE 23 CO 0.01 0.56 0.04 -0.47 0.00 0.00 0.00 174.94 175.07 1x3x s TYR 24 N -0.24 0.66 -1.44 3.97 5.04 0.06 -0.69 117.35 124.72 1x3x s TYR 24 Ca 0.01 -0.41 -0.03 0.00 -2.44 0.00 0.00 57.07 54.20 1x3x s TYR 24 Cb -0.13 -0.84 0.02 0.00 0.35 0.00 0.00 41.96 41.36 1x3x s TYR 24 CO 0.03 -0.45 0.50 -3.47 -1.34 0.00 0.00 175.55 170.81 1x3x n ASP 25 N 5.15 -0.88 0.00 4.32 4.64 -1.26 -0.64 116.55 127.88 1x3x n ASP 25 Ca -0.07 -0.99 0.00 0.00 -1.38 0.00 0.00 54.79 52.35 1x3x n ASP 25 Cb 0.49 -3.12 0.00 0.00 -1.04 0.00 0.00 41.12 37.45 1x3x n ASP 25 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1x3x n GLY 26 N -1.88 0.58 3.72 0.27 0.00 -1.26 -5.02 105.19 101.60 1x3x n GLY 26 Ca -0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 1x3x n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x3x s GLU 27 N -0.29 2.86 -0.23 1.61 2.02 0.18 -0.97 118.70 123.89 1x3x s GLU 27 Ca 0.00 -0.60 -0.10 0.00 0.02 0.00 0.00 54.97 54.29 1x3x s GLU 27 Cb 0.00 -2.72 -0.05 0.00 0.10 0.00 0.00 34.13 31.46 1x3x s GLU 27 CO 0.00 0.62 0.14 0.08 0.02 0.00 0.00 175.26 176.12 1x3x s VAL 28 N -1.16 5.25 -0.09 2.63 1.01 0.05 -0.76 120.40 127.33 1x3x s VAL 28 Ca 0.22 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.37 1x3x s VAL 28 Cb -0.12 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1x3x s VAL 28 CO 0.13 0.37 -0.21 -1.00 0.00 0.00 0.00 175.10 174.39 1x3x s HIS 29 N 0.94 2.22 -0.45 5.22 3.76 0.22 -1.21 115.29 125.98 1x3x s HIS 29 Ca 0.07 -0.87 -0.20 0.00 -0.15 0.00 0.00 55.06 53.91 1x3x s HIS 29 Cb -0.13 -1.51 0.03 0.00 1.11 0.00 0.00 32.58 32.08 1x3x s HIS 29 CO 0.03 -0.36 0.61 0.34 -0.85 0.00 0.00 174.74 174.51 1x3x s ASP 30 N 0.38 6.27 -0.03 1.40 3.68 -0.61 -1.08 116.67 126.69 1x3x s ASP 30 Ca -0.16 -0.54 0.21 0.00 2.13 0.00 0.00 52.55 54.18 1x3x s ASP 30 Cb -0.17 -2.30 0.64 0.00 -1.45 0.00 0.00 42.92 39.65 1x3x s ASP 30 CO 0.07 -0.78 1.54 0.23 0.13 0.00 0.00 175.17 176.36 1x3x n MET 31 N 6.15 2.97 -0.15 4.34 2.81 0.14 -4.65 117.12 128.73 1x3x n MET 31 Ca -0.04 -2.68 -0.03 0.00 -1.81 0.00 0.00 57.70 53.14 1x3x n MET 31 Cb 0.47 -1.63 0.05 0.00 -0.71 0.00 0.00 33.22 31.40 1x3x n MET 31 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1x3x h THR 32 N 4.09 0.60 0.00 2.03 2.02 -1.82 -0.65 112.91 119.18 1x3x h THR 32 Ca 0.00 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 1x3x h THR 32 Cb 1.08 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1x3x h THR 32 CO 0.05 0.01 -0.25 -1.28 0.37 0.00 0.00 175.52 174.42 1x3x h SER 33 N 0.08 0.00 1.77 4.18 0.87 -1.90 -2.95 113.55 115.60 1x3x h SER 33 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1x3x h SER 33 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1x3x h SER 33 CO -0.42 0.25 -0.20 0.15 -0.53 0.00 0.00 176.83 176.08 1x3x h PHE 34 N 0.00 0.00 -0.39 2.24 3.57 -1.49 -3.39 116.94 117.48 1x3x h PHE 34 Ca -0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1x3x h PHE 34 Cb 0.64 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.29 1x3x h PHE 34 CO 0.00 0.00 -0.50 -0.92 -2.23 0.00 0.00 178.31 174.66 1x3x h TYR 35 N 0.00 -1.50 -0.92 0.41 3.20 -1.08 -1.62 116.97 115.47 1x3x h TYR 35 Ca 0.00 0.08 0.11 0.00 3.14 0.00 0.00 58.73 62.05 1x3x h TYR 35 Cb 0.99 0.71 -0.08 0.00 1.54 0.00 0.00 36.73 39.88 1x3x h TYR 35 CO 0.00 -0.48 0.55 0.87 -1.64 0.00 0.00 178.16 177.47 1x3x h LYS 36 N -0.38 0.86 -0.64 1.82 1.57 -1.79 -2.42 116.57 115.59 1x3x h LYS 36 Ca 0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1x3x h LYS 36 Cb 0.60 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1x3x h LYS 36 CO -0.58 0.57 0.00 -0.85 -0.57 0.00 0.00 179.45 178.02 1x3x n GLU 37 N -4.68 3.54 -2.23 3.15 0.28 -0.93 -4.92 120.64 114.84 1x3x n GLU 37 Ca 0.16 -2.42 -0.43 0.00 -0.16 0.00 0.00 57.16 54.31 1x3x n GLU 37 Cb 0.32 -1.89 -0.02 0.00 1.43 0.00 0.00 31.44 31.28 1x3x n GLU 37 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1x3x s HIS 38 N -1.98 2.30 0.31 -1.84 2.46 -0.66 -4.95 115.29 110.93 1x3x s HIS 38 Ca 0.43 0.67 -0.29 0.00 0.47 0.00 0.00 55.06 56.34 1x3x s HIS 38 Cb 0.29 -4.01 -0.13 0.00 -0.13 0.00 0.00 32.58 28.61 1x3x s HIS 38 CO 0.18 -2.43 1.34 -2.30 -2.47 0.00 0.00 174.74 169.06 1x3x n PRO 39 N 7.66 2.12 0.00 2.88 -0.02 -1.26 -1.06 135.00 145.31 1x3x n PRO 39 Ca 0.17 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1x3x n PRO 39 Cb 0.46 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1x3x n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x3x n GLY 40 N 1.27 2.99 0.00 -1.23 0.00 -1.26 -4.99 105.19 101.97 1x3x n GLY 40 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1x3x n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x3x n GLY 41 N 0.00 -1.23 0.31 -0.02 0.00 -0.22 -4.67 105.19 99.36 1x3x n GLY 41 Ca 0.00 -2.10 0.13 0.00 0.00 0.00 0.00 46.02 44.06 1x3x n GLY 41 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1x3x h LYS 42 N 0.50 0.00 0.00 1.61 3.64 -1.88 -2.95 116.57 117.48 1x3x h LYS 42 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1x3x h LYS 42 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1x3x h LYS 42 CO 0.00 0.00 0.19 -0.39 -2.27 0.00 0.00 179.45 176.98 1x3x h VAL 43 N 0.00 0.00 -0.23 2.00 -1.51 -1.97 -0.48 116.25 114.06 1x3x h VAL 43 Ca 0.00 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.54 1x3x h VAL 43 Cb 0.72 0.64 -0.01 0.00 -2.13 0.00 0.00 31.29 30.51 1x3x h VAL 43 CO 0.00 0.00 0.23 -0.29 -1.23 0.00 0.00 177.57 176.28 1x3x h ILE 44 N 0.00 0.53 0.00 7.19 2.10 -1.90 -0.72 117.51 124.71 1x3x h ILE 44 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1x3x h ILE 44 Cb 0.38 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 36.93 1x3x h ILE 44 CO 0.00 0.00 0.00 -0.07 -1.08 0.00 0.00 178.15 177.00 1x3x h LEU 45 N 0.00 0.00 -2.21 2.19 3.38 -1.38 -2.64 115.31 114.65 1x3x h LEU 45 Ca 0.11 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1x3x h LEU 45 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1x3x h LEU 45 CO -0.00 0.00 0.13 0.78 0.09 0.00 0.00 178.44 179.44 1x3x h ASN 46 N 0.00 0.00 -0.31 -0.43 2.35 -1.35 -1.42 115.58 114.42 1x3x h ASN 46 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1x3x h ASN 46 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1x3x h ASN 46 CO 0.00 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 176.07 1x3x n LYS 47 N -4.04 2.92 -1.69 0.81 4.76 -1.00 -4.98 118.16 114.94 1x3x n LYS 47 Ca 0.00 -2.41 -0.42 0.00 -2.87 0.00 0.00 58.31 52.61 1x3x n LYS 47 Cb 0.25 -1.53 -0.03 0.00 -1.84 0.00 0.00 35.03 31.88 1x3x n LYS 47 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x3x s ALA 48 N -1.81 3.78 0.00 7.82 0.00 -0.54 -1.03 121.76 129.98 1x3x s ALA 48 Ca 0.32 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1x3x s ALA 48 Cb 0.22 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1x3x s ALA 48 CO 0.13 -1.22 0.00 0.41 0.00 0.00 0.00 175.76 175.08 1x3x n GLY 49 N 4.24 0.67 3.67 0.00 0.00 0.14 -4.60 105.19 109.30 1x3x n GLY 49 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1x3x n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x3x s GLN 50 N -0.02 2.09 -0.39 1.61 -0.21 -0.20 -3.57 119.66 118.97 1x3x s GLN 50 Ca 0.00 -2.31 -0.26 0.00 0.02 0.00 0.00 55.36 52.81 1x3x s GLN 50 Cb 0.00 -1.21 0.02 0.00 1.00 0.00 0.00 33.01 32.81 1x3x s GLN 50 CO 0.00 -0.39 0.95 0.34 -2.12 0.00 0.00 175.29 174.08 1x3x s ASP 51 N -3.77 6.67 -0.20 5.90 3.68 -1.26 -1.18 116.67 126.51 1x3x s ASP 51 Ca 0.14 0.54 0.15 0.00 2.13 0.00 0.00 52.55 55.51 1x3x s ASP 51 Cb 0.02 -2.47 0.68 0.00 -1.45 0.00 0.00 42.92 39.70 1x3x s ASP 51 CO 0.08 -0.92 1.59 0.00 0.13 0.00 0.00 175.17 176.05 1x3x n ALA 52 N 6.92 3.40 0.03 3.66 0.00 0.13 -4.69 120.51 129.97 1x3x n ALA 52 Ca 0.08 -2.05 -0.10 0.00 0.00 0.00 0.00 53.44 51.37 1x3x n ALA 52 Cb 0.48 -0.92 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 1x3x n ALA 52 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1x3x h THR 53 N 3.02 0.61 0.00 0.00 2.02 -1.90 -1.49 112.91 115.17 1x3x h THR 53 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1x3x h THR 53 Cb 1.68 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 68.70 1x3x h THR 53 CO 0.35 0.00 -0.02 -1.28 0.37 0.00 0.00 175.52 174.93 1x3x h SER 54 N -0.22 -0.06 0.11 4.18 0.87 -1.94 -1.90 113.55 114.59 1x3x h SER 54 Ca 0.07 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 1x3x h SER 54 Cb 0.32 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 1x3x h SER 54 CO -0.19 -0.03 -0.18 1.62 -0.53 0.00 0.00 176.83 177.52 1x3x h VAL 55 N -0.04 1.18 0.00 2.23 3.04 -1.88 0.22 116.25 121.00 1x3x h VAL 55 Ca 0.01 -0.82 -0.10 0.00 -1.01 0.00 0.00 66.70 64.78 1x3x h VAL 55 Cb 0.05 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 30.63 1x3x h VAL 55 CO -0.02 0.25 -0.45 -0.07 -1.01 0.00 0.00 177.57 176.26 1x3x h LEU 56 N 0.14 0.00 0.00 3.16 3.38 -1.03 -2.32 115.31 118.64 1x3x h LEU 56 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1x3x h LEU 56 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1x3x h LEU 56 CO 0.03 0.45 -1.57 0.29 0.09 0.00 0.00 178.44 177.73 1x3x n LYS 57 N -3.44 0.57 -0.04 1.13 5.02 -0.74 -4.53 118.16 116.14 1x3x n LYS 57 Ca 0.00 -0.08 -0.04 0.00 -2.02 0.00 0.00 58.31 56.17 1x3x n LYS 57 Cb 0.60 -1.61 -0.05 0.00 -0.02 0.00 0.00 35.03 33.95 1x3x n LYS 57 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1x3x n THR 58 N -2.30 0.50 -1.70 -0.18 -2.24 0.71 -4.78 114.28 104.30 1x3x n THR 58 Ca -0.02 -0.28 -0.43 0.00 -2.27 0.00 0.00 64.05 61.06 1x3x n THR 58 Cb 0.54 -0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 1x3x n THR 58 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1x3x n LEU 59 N -2.39 3.97 -0.28 3.22 7.94 -0.87 -4.80 117.00 123.79 1x3x n LEU 59 Ca -0.13 1.01 -0.01 0.00 -1.11 0.00 0.00 56.01 55.77 1x3x n LEU 59 Cb 0.72 -1.54 0.05 0.00 0.53 0.00 0.00 43.42 43.17 1x3x n LEU 59 CO 0.14 0.15 0.64 0.00 -1.11 0.00 0.00 177.39 177.21 1x3x h ALA 60 N 7.96 0.21 -0.93 1.96 0.00 -1.94 0.51 119.26 127.04 1x3x h ALA 60 Ca -0.45 0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1x3x h ALA 60 Cb 1.22 0.79 -0.06 0.00 0.00 0.00 0.00 17.79 19.73 1x3x h ALA 60 CO 0.95 -0.57 0.60 -1.35 0.00 0.00 0.00 179.25 178.88 1x3x h PRO 61 N -0.07 0.99 -0.32 0.00 0.11 -1.97 -0.71 132.00 130.04 1x3x h PRO 61 Ca 0.32 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.22 1x3x h PRO 61 Cb 0.58 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1x3x h PRO 61 CO -0.82 0.65 -0.39 0.45 -0.21 0.00 0.00 178.00 177.68 1x3x h HIS 62 N 1.02 0.92 -0.32 0.65 3.86 -1.30 -2.82 115.15 117.16 1x3x h HIS 62 Ca 0.41 -0.27 -0.05 0.00 -1.16 0.00 0.00 60.37 59.30 1x3x h HIS 62 Cb 0.26 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1x3x h HIS 62 CO -0.00 1.04 0.00 0.28 0.86 0.00 0.00 177.93 180.11 1x3x h VAL 63 N 0.63 1.26 0.00 2.45 2.07 -0.22 -0.16 116.25 122.28 1x3x h VAL 63 Ca 0.05 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1x3x h VAL 63 Cb 0.95 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1x3x h VAL 63 CO 0.09 0.31 0.00 0.29 0.02 0.00 0.00 177.57 178.28 1x3x n LYS 64 N -4.55 0.42 -0.66 1.57 4.01 -0.35 -1.95 118.16 116.65 1x3x n LYS 64 Ca -0.02 0.06 0.05 0.00 -0.51 0.00 0.00 58.31 57.88 1x3x n LYS 64 Cb 0.26 -1.50 0.08 0.00 -0.51 0.00 0.00 35.03 33.37 1x3x n LYS 64 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1x3x n ALA 65 N -1.13 2.50 -0.30 7.82 0.00 -0.85 -4.89 120.51 123.66 1x3x n ALA 65 Ca 0.11 -2.22 0.08 0.00 0.00 0.00 0.00 53.44 51.41 1x3x n ALA 65 Cb 0.10 -0.50 0.20 0.00 0.00 0.00 0.00 19.45 19.25 1x3x n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x3x h ALA 66 N 0.46 0.90 -0.60 0.00 0.00 -0.36 0.33 119.26 119.98 1x3x h ALA 66 Ca -0.06 0.29 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1x3x h ALA 66 Cb 1.34 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 1x3x h ALA 66 CO 0.02 -0.47 0.06 -0.44 0.00 0.00 0.00 179.25 178.43 1x3x h ASP 67 N 0.06 0.97 -0.31 0.00 3.32 -1.87 0.15 116.42 118.74 1x3x h ASP 67 Ca 0.48 -0.24 -0.15 0.00 0.02 0.00 0.00 57.03 57.15 1x3x h ASP 67 Cb 0.90 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 1x3x h ASP 67 CO -0.79 0.99 -0.38 0.58 -1.72 0.00 0.00 179.24 177.91 1x3x h VAL 68 N 0.94 1.29 -0.12 -1.35 2.07 -1.32 -2.21 116.25 115.55 1x3x h VAL 68 Ca 0.18 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.13 1x3x h VAL 68 Cb 0.46 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1x3x h VAL 68 CO 0.02 0.51 0.06 0.58 0.02 0.00 0.00 177.57 178.76 1x3x h VAL 69 N 0.57 1.10 -0.22 2.57 2.07 -0.21 -1.50 116.25 120.62 1x3x h VAL 69 Ca 0.04 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1x3x h VAL 69 Cb 0.97 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1x3x h VAL 69 CO 0.09 0.09 -0.04 0.24 0.02 0.00 0.00 177.57 177.98 1x3x h MET 70 N 0.09 0.33 -0.27 1.57 2.07 -0.70 -1.00 114.93 117.01 1x3x h MET 70 Ca 0.04 -0.06 -0.17 0.00 -2.07 0.00 0.00 59.70 57.44 1x3x h MET 70 Cb 0.09 -0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 29.77 1x3x h MET 70 CO -0.01 0.39 -0.51 -0.22 1.07 0.00 0.00 176.91 177.64 1x3x h LYS 71 N 0.32 0.77 -0.26 1.72 1.63 -1.14 -0.72 116.57 118.90 1x3x h LYS 71 Ca 0.07 -0.47 -0.10 0.00 -0.85 0.00 0.00 60.65 59.30 1x3x h LYS 71 Cb 0.28 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 1x3x h LYS 71 CO 0.01 1.10 -0.27 -0.22 -3.45 0.00 0.00 179.45 176.62 1x3x h LYS 72 N 0.60 0.52 -0.26 1.90 1.63 -0.76 -1.64 116.57 118.56 1x3x h LYS 72 Ca 0.02 -0.20 -0.06 0.00 -0.85 0.00 0.00 60.65 59.56 1x3x h LYS 72 Cb 1.09 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 1x3x h LYS 72 CO 0.11 0.74 -0.06 -0.07 -3.45 0.00 0.00 179.45 176.72 1x3x h LEU 73 N 0.45 0.50 -0.64 5.20 3.38 -1.02 -2.66 115.31 120.52 1x3x h LEU 73 Ca 0.06 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.74 1x3x h LEU 73 Cb 0.70 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 1x3x h LEU 73 CO 0.05 0.75 0.32 0.50 0.09 0.00 0.00 178.44 180.14 1x3x h LYS 74 N 0.24 0.55 0.00 1.13 3.64 -0.85 -0.98 116.57 120.31 1x3x h LYS 74 Ca 0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1x3x h LYS 74 Cb 0.53 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1x3x h LYS 74 CO 0.02 0.37 0.00 1.04 -2.27 0.00 0.00 179.45 178.61 1x3x n GLN 75 N -4.87 0.08 0.00 1.90 6.02 -0.64 -3.46 117.38 116.42 1x3x n GLN 75 Ca 0.08 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 1x3x n GLN 75 Cb 0.22 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.98 1x3x n GLN 75 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1x3x n THR 76 N -1.43 0.73 -2.46 5.09 -2.24 -0.42 -5.01 114.28 108.55 1x3x n THR 76 Ca 0.05 -0.86 -0.43 0.00 -2.27 0.00 0.00 64.05 60.55 1x3x n THR 76 Cb 0.18 0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 69.03 1x3x n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x3x n ILE 78 N 6.94 0.01 -3.07 0.00 -5.35 -0.35 -2.28 119.36 115.26 1x3x n ILE 78 Ca 0.14 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 1x3x n ILE 78 Cb 0.48 0.62 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 1x3x n ILE 78 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x3x n GLY 79 N 1.42 -0.89 3.21 3.28 0.00 -1.16 -3.15 105.19 107.89 1x3x n GLY 79 Ca 0.01 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.14 1x3x n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x3x s LYS 80 N -0.15 0.92 0.12 1.61 1.02 -0.51 -0.77 119.74 121.99 1x3x s LYS 80 Ca 0.00 -1.17 -0.30 0.00 0.02 0.00 0.00 55.97 54.52 1x3x s LYS 80 Cb 0.00 -0.74 -0.07 0.00 -0.52 0.00 0.00 37.83 36.50 1x3x s LYS 80 CO 0.00 0.14 1.14 0.08 -0.92 0.00 0.00 175.35 175.78 1x3x s VAL 81 N -2.14 3.97 -2.00 3.17 1.01 -0.14 -0.91 120.40 123.35 1x3x s VAL 81 Ca 0.06 1.56 0.20 0.00 0.00 0.00 0.00 61.98 63.80 1x3x s VAL 81 Cb -0.05 -4.00 0.57 0.00 0.00 0.00 0.00 36.38 32.90 1x3x s VAL 81 CO 0.02 0.20 1.58 0.29 0.00 0.00 0.00 175.10 177.19