#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgl h ASP 3 N 6.32 0.00 -3.62 0.00 3.32 -1.36 -3.44 116.42 117.64 1rgl h ASP 3 Ca -0.39 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.40 1rgl h ASP 3 Cb 1.18 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.42 1rgl h ASP 3 CO 0.66 0.83 -0.69 -0.31 -1.72 0.00 0.00 179.24 178.00 1rgl s TYR 4 N -3.04 -0.02 -0.17 4.55 2.02 -0.83 -4.96 117.35 114.90 1rgl s TYR 4 Ca 0.00 0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.85 1rgl s TYR 4 Cb 0.11 -0.10 0.03 0.00 -0.40 0.00 0.00 41.96 41.60 1rgl s TYR 4 CO 0.79 -0.06 -0.13 0.99 -1.57 0.00 0.00 175.55 175.57 1rgl s THR 5 N 0.56 1.67 -0.49 -0.71 2.01 -1.26 -1.18 115.64 116.24 1rgl s THR 5 Ca -0.04 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.08 1rgl s THR 5 Cb -0.06 -1.63 0.13 0.00 0.01 0.00 0.00 72.50 70.94 1rgl s THR 5 CO -0.02 0.35 0.31 0.00 -0.69 0.00 0.00 174.62 174.58 1rgl n GLY 7 N 4.33 1.88 0.77 0.00 0.00 -1.26 -0.50 105.19 110.41 1rgl n GLY 7 Ca -0.00 0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.27 1rgl n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rgl n SER 8 N 10.90 2.59 -4.73 1.61 3.41 -1.26 -4.96 113.62 121.18 1rgl n SER 8 Ca 0.00 -1.79 -0.41 0.00 -0.26 0.00 0.00 58.87 56.41 1rgl n SER 8 Cb 0.00 0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 63.97 1rgl n SER 8 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1rgl s ASN 9 N -1.75 7.25 -0.19 4.04 0.01 0.35 -5.05 114.94 119.60 1rgl s ASN 9 Ca 0.23 1.50 -0.04 0.00 -0.71 0.00 0.00 52.86 53.84 1rgl s ASN 9 Cb 0.17 -2.50 -0.02 0.00 0.41 0.00 0.00 41.25 39.31 1rgl s ASN 9 CO 0.28 -0.10 -0.04 0.00 -1.51 0.00 0.00 177.10 175.73 1rgl s TYR 11 N 0.93 1.51 0.48 0.00 2.02 -0.33 -5.02 117.35 116.94 1rgl s TYR 11 Ca -0.00 -0.31 0.04 0.00 -0.37 0.00 0.00 57.07 56.43 1rgl s TYR 11 Cb -0.15 -0.94 0.02 0.00 -0.40 0.00 0.00 41.96 40.49 1rgl s TYR 11 CO 0.01 0.01 0.66 -1.54 -1.57 0.00 0.00 175.55 173.13 1rgl s SER 12 N -0.69 5.52 0.37 2.29 1.04 -1.26 -0.91 113.70 120.05 1rgl s SER 12 Ca 0.06 -0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.36 1rgl s SER 12 Cb -0.07 -0.87 0.71 0.00 0.10 0.00 0.00 66.02 65.89 1rgl s SER 12 CO 0.00 -0.91 2.01 0.28 0.98 0.00 0.00 173.24 175.61 1rgl h SER 13 N 0.38 0.66 -0.23 7.02 0.02 -1.97 -1.92 113.55 117.52 1rgl h SER 13 Ca -0.42 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.47 1rgl h SER 13 Cb 1.28 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 1rgl h SER 13 CO 0.50 0.47 0.01 0.77 -1.14 0.00 0.00 176.83 177.44 1rgl h SER 14 N 0.77 0.48 -0.53 3.07 4.64 -1.99 -1.14 113.55 118.85 1rgl h SER 14 Ca 0.23 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.39 1rgl h SER 14 Cb -0.01 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 1rgl h SER 14 CO -0.06 0.54 0.04 0.44 -0.87 0.00 0.00 176.83 176.93 1rgl h ASP 15 N 0.50 0.88 -0.49 4.97 3.32 -1.73 -1.65 116.42 122.22 1rgl h ASP 15 Ca 0.11 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.81 1rgl h ASP 15 Cb 0.31 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1rgl h ASP 15 CO 0.01 0.95 0.06 0.58 -1.72 0.00 0.00 179.24 179.11 1rgl h VAL 16 N 0.79 1.25 -0.56 -1.35 2.07 -1.33 -2.02 116.25 115.10 1rgl h VAL 16 Ca 0.16 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 1rgl h VAL 16 Cb 0.47 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1rgl h VAL 16 CO 0.02 0.34 0.19 0.28 0.02 0.00 0.00 177.57 178.42 1rgl h SER 17 N 0.70 0.81 -0.42 0.57 0.02 -1.11 0.76 113.55 114.88 1rgl h SER 17 Ca 0.15 -0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.82 1rgl h SER 17 Cb 0.43 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1rgl h SER 17 CO 0.01 0.79 -0.03 0.74 -1.14 0.00 0.00 176.83 177.21 1rgl h THR 18 N 0.79 1.27 -0.10 -2.27 2.02 -1.23 -1.54 112.91 111.84 1rgl h THR 18 Ca 0.18 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 1rgl h THR 18 Cb 0.26 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1rgl h THR 18 CO -0.01 0.37 0.03 0.00 0.37 0.00 0.00 175.52 176.28 1rgl h ALA 19 N 0.88 0.13 -0.75 6.16 0.00 -1.21 -2.71 119.26 121.77 1rgl h ALA 19 Ca 0.12 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1rgl h ALA 19 Cb 0.53 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1rgl h ALA 19 CO 0.03 -0.24 0.46 0.37 0.00 0.00 0.00 179.25 179.86 1rgl h GLN 20 N -0.04 0.83 -0.97 0.00 4.15 -0.81 -1.29 115.11 116.98 1rgl h GLN 20 Ca 0.03 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1rgl h GLN 20 Cb 0.24 -0.19 -0.05 0.00 0.21 0.00 0.00 27.48 27.69 1rgl h GLN 20 CO -0.00 0.55 0.62 0.00 -1.93 0.00 0.00 178.83 178.07 1rgl h ALA 21 N 1.35 1.26 -0.16 3.38 0.00 -1.18 -0.06 119.26 123.85 1rgl h ALA 21 Ca 0.32 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1rgl h ALA 21 Cb 0.12 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1rgl h ALA 21 CO -0.15 0.66 -0.20 0.00 0.00 0.00 0.00 179.25 179.56 1rgl h ALA 22 N 1.36 0.24 -0.66 0.00 0.00 -1.08 -2.71 119.26 116.41 1rgl h ALA 22 Ca 0.35 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1rgl h ALA 22 Cb -0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1rgl h ALA 22 CO -0.07 0.18 0.20 0.78 0.00 0.00 0.00 179.25 180.34 1rgl h GLY 23 N 0.06 1.11 1.11 0.00 0.00 -1.06 -2.73 103.07 101.57 1rgl h GLY 23 Ca 0.02 -0.67 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 1rgl h GLY 23 CO 0.05 0.62 0.30 -1.82 0.00 0.00 0.00 176.54 175.70 1rgl h TYR 24 N 0.97 1.15 -0.41 5.60 3.20 -1.02 -1.97 116.97 124.49 1rgl h TYR 24 Ca 0.21 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1rgl h TYR 24 Cb 0.31 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 1rgl h TYR 24 CO 0.02 0.87 0.22 -0.22 -1.64 0.00 0.00 178.16 177.42 1rgl h LYS 25 N 1.11 0.58 -0.71 1.82 1.63 -1.33 -0.91 116.57 118.77 1rgl h LYS 25 Ca 0.26 -0.07 0.04 0.00 -0.85 0.00 0.00 60.65 60.02 1rgl h LYS 25 Cb 0.21 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.68 1rgl h LYS 25 CO -0.02 0.48 0.43 -0.07 -3.45 0.00 0.00 179.45 176.82 1rgl h LEU 26 N 0.53 0.69 -0.57 5.20 -0.00 -1.23 -1.15 115.31 118.78 1rgl h LEU 26 Ca 0.14 0.01 0.04 0.00 -0.00 0.00 0.00 57.88 58.07 1rgl h LEU 26 Cb 0.07 -0.14 -0.04 0.00 -0.00 0.00 0.00 40.66 40.56 1rgl h LEU 26 CO -0.02 0.46 0.33 -0.74 -0.00 0.00 0.00 178.44 178.47 1rgl h HIS 27 N 0.82 0.60 -0.47 1.13 2.76 -0.74 -1.15 115.15 118.11 1rgl h HIS 27 Ca 0.29 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.42 1rgl h HIS 27 Cb 0.08 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 1rgl h HIS 27 CO -0.05 0.33 0.02 0.93 -1.30 0.00 0.00 177.93 177.85 1rgl h GLU 28 N 0.63 0.76 0.00 5.26 5.08 -0.62 -2.75 114.58 122.95 1rgl h GLU 28 Ca 0.24 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1rgl h GLU 28 Cb 0.07 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1rgl h GLU 28 CO -0.12 0.76 0.00 -0.25 -1.00 0.00 0.00 179.01 178.40 1rgl n ASP 29 N -4.23 0.00 -1.75 1.42 8.00 -0.49 -4.91 116.55 114.60 1rgl n ASP 29 Ca 0.03 0.31 -0.13 0.00 0.71 0.00 0.00 54.79 55.71 1rgl n ASP 29 Cb 0.28 -0.43 0.01 0.00 -0.02 0.00 0.00 41.12 40.97 1rgl n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rgl n GLY 30 N 1.17 -0.05 3.44 0.44 0.00 -0.54 -5.02 105.19 104.63 1rgl n GLY 30 Ca 0.08 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 1rgl n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rgl s GLU 31 N -5.06 1.58 0.06 1.61 2.56 -0.59 -5.05 118.70 113.80 1rgl s GLU 31 Ca 0.13 -1.59 -0.01 0.00 0.00 0.00 0.00 54.97 53.50 1rgl s GLU 31 Cb -0.06 -1.83 -0.04 0.00 2.00 0.00 0.00 34.13 34.20 1rgl s GLU 31 CO 0.17 0.38 -0.01 0.95 -0.56 0.00 0.00 175.26 176.18 1rgl s THR 32 N -1.92 0.21 0.04 -1.70 -4.23 -1.26 -4.30 115.64 102.48 1rgl s THR 32 Ca 0.24 -1.78 0.02 0.00 -1.18 0.00 0.00 61.69 58.99 1rgl s THR 32 Cb -0.07 -1.55 -0.03 0.00 1.34 0.00 0.00 72.50 72.20 1rgl s THR 32 CO 0.11 -0.94 -0.07 0.68 -0.54 0.00 0.00 174.62 173.86 1rgl s VAL 33 N -3.93 0.51 0.00 2.29 -7.23 -0.03 -4.87 120.40 107.15 1rgl s VAL 33 Ca 0.08 -1.13 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1rgl s VAL 33 Cb 0.08 -0.66 0.00 0.00 0.56 0.00 0.00 36.38 36.36 1rgl s VAL 33 CO -0.09 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 174.88 1rgl n GLY 34 N 1.36 -0.09 0.24 2.32 0.00 -1.26 -1.75 105.19 106.01 1rgl n GLY 34 Ca -0.22 -1.68 0.07 0.00 0.00 0.00 0.00 46.02 44.19 1rgl n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rgl h SER 35 N 0.00 0.00 -0.57 1.61 4.64 -1.96 -2.42 113.55 114.86 1rgl h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rgl h SER 35 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rgl h SER 35 CO 0.00 0.13 0.00 0.59 -0.87 0.00 0.00 176.83 176.68 1rgl n ASN 36 N -4.25 4.32 -3.33 4.97 5.03 -1.26 -5.00 115.26 115.74 1rgl n ASN 36 Ca -0.03 -2.42 -0.15 0.00 0.87 0.00 0.00 54.58 52.85 1rgl n ASN 36 Cb 0.20 -0.55 0.01 0.00 -1.02 0.00 0.00 39.78 38.42 1rgl n ASN 36 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1rgl n SER 37 N 0.94 -6.55 -4.87 6.41 7.64 -0.91 -4.88 113.62 111.40 1rgl n SER 37 Ca 0.23 -0.27 -0.36 0.00 1.01 0.00 0.00 58.87 59.48 1rgl n SER 37 Cb 0.82 -3.62 -0.06 0.00 -1.01 0.00 0.00 64.21 60.34 1rgl n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1rgl s TYR 38 N -2.70 3.62 0.51 1.43 2.02 -0.72 -3.63 117.35 117.88 1rgl s TYR 38 Ca 0.10 0.65 -0.16 0.00 -0.37 0.00 0.00 57.07 57.29 1rgl s TYR 38 Cb -0.02 -2.04 -0.08 0.00 -0.40 0.00 0.00 41.96 39.43 1rgl s TYR 38 CO 0.82 0.66 0.98 -1.25 -1.57 0.00 0.00 175.55 175.18 1rgl s PRO 39 N -1.40 3.93 0.10 -1.71 0.04 -1.26 -0.85 135.00 133.85 1rgl s PRO 39 Ca 0.23 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1rgl s PRO 39 Cb -0.14 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1rgl s PRO 39 CO 0.12 -0.27 -0.03 -3.38 0.04 0.00 0.00 177.00 173.48 1rgl s HIS 40 N -2.64 0.80 0.40 0.56 -3.43 -0.97 -4.91 115.29 105.11 1rgl s HIS 40 Ca 0.58 -1.02 -0.26 0.00 -0.80 0.00 0.00 55.06 53.56 1rgl s HIS 40 Cb -0.10 -0.49 -0.11 0.00 -1.43 0.00 0.00 32.58 30.45 1rgl s HIS 40 CO 0.32 -0.28 1.22 1.63 -2.00 0.00 0.00 174.74 175.63 1rgl n LYS 41 N -0.02 1.86 -4.79 -0.38 4.76 -1.26 -0.43 118.16 117.89 1rgl n LYS 41 Ca -0.11 0.66 -0.30 0.00 -2.87 0.00 0.00 58.31 55.69 1rgl n LYS 41 Cb 0.62 -2.30 -0.17 0.00 -1.84 0.00 0.00 35.03 31.34 1rgl n LYS 41 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1rgl s TYR 42 N -1.18 2.19 -0.22 2.13 5.04 0.08 -4.67 117.35 120.72 1rgl s TYR 42 Ca 0.60 -0.96 -0.06 0.00 -2.44 0.00 0.00 57.07 54.21 1rgl s TYR 42 Cb -0.53 -1.52 -0.03 0.00 0.35 0.00 0.00 41.96 40.23 1rgl s TYR 42 CO 0.59 -0.44 0.04 -0.80 -1.34 0.00 0.00 175.55 173.60 1rgl s ASN 43 N 0.66 5.07 -1.37 4.32 0.01 -1.26 -4.16 114.94 118.20 1rgl s ASN 43 Ca -0.13 -0.16 -0.09 0.00 -0.71 0.00 0.00 52.86 51.78 1rgl s ASN 43 Cb -0.16 -1.88 -0.06 0.00 0.41 0.00 0.00 41.25 39.55 1rgl s ASN 43 CO 0.03 0.05 2.92 -3.20 -1.51 0.00 0.00 177.10 175.39 1rgl n ASN 44 N 4.38 8.22 0.29 -1.22 5.15 -1.26 -4.66 115.26 126.17 1rgl n ASN 44 Ca -0.17 -2.69 0.19 0.00 -0.60 0.00 0.00 54.58 51.31 1rgl n ASN 44 Cb 0.52 -1.50 0.81 0.00 -0.53 0.00 0.00 39.78 39.08 1rgl n ASN 44 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 1rgl h TYR 45 N 4.66 0.00 -0.01 1.20 -0.00 -2.00 -2.18 116.97 118.65 1rgl h TYR 45 Ca 0.76 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.49 1rgl h TYR 45 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.15 1rgl h TYR 45 CO 1.81 0.00 -0.11 1.04 -0.00 0.00 0.00 178.16 180.90 1rgl n GLN 46 N -3.08 0.93 -3.15 0.10 6.02 -1.26 -4.96 117.38 111.98 1rgl n GLN 46 Ca -0.00 -0.41 -0.18 0.00 -0.01 0.00 0.00 57.00 56.40 1rgl n GLN 46 Cb 0.25 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 30.07 1rgl n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rgl n GLY 47 N 1.25 -0.21 3.72 1.08 0.00 -0.82 -4.98 105.19 105.24 1rgl n GLY 47 Ca 0.16 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1rgl n GLY 47 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1rgl n PHE 48 N -4.34 1.93 -2.33 1.61 3.72 -1.26 -4.85 117.46 111.93 1rgl n PHE 48 Ca -0.03 0.43 -0.42 0.00 -0.05 0.00 0.00 57.45 57.38 1rgl n PHE 48 Cb 0.56 -2.29 -0.00 0.00 -0.94 0.00 0.00 39.48 36.81 1rgl n PHE 48 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1rgl n ASP 49 N -1.44 4.58 -4.76 4.37 2.03 -1.26 -4.95 116.55 115.12 1rgl n ASP 49 Ca 0.14 -2.89 -0.39 0.00 0.52 0.00 0.00 54.79 52.17 1rgl n ASP 49 Cb 0.47 -1.72 -0.05 0.00 -0.72 0.00 0.00 41.12 39.09 1rgl n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1rgl s PHE 50 N 4.22 3.69 -1.95 -0.67 0.08 -1.26 -4.94 117.98 117.15 1rgl s PHE 50 Ca 0.53 1.24 0.27 0.00 0.12 0.00 0.00 56.93 59.09 1rgl s PHE 50 Cb 0.06 -2.64 0.96 0.00 -0.57 0.00 0.00 43.02 40.83 1rgl s PHE 50 CO 0.04 0.33 1.69 -1.13 -0.10 0.00 0.00 175.22 176.05 1rgl n SER 51 N 2.78 1.01 -4.70 1.36 3.41 -1.26 -4.86 113.62 111.35 1rgl n SER 51 Ca -0.06 -1.00 -0.27 0.00 -0.26 0.00 0.00 58.87 57.28 1rgl n SER 51 Cb 0.51 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 1rgl n SER 51 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1rgl s VAL 52 N -2.34 4.00 0.51 -3.33 -7.23 -1.26 -5.12 120.40 105.63 1rgl s VAL 52 Ca 0.30 -1.21 -0.15 0.00 -1.81 0.00 0.00 61.98 59.10 1rgl s VAL 52 Cb 0.20 -2.99 -0.07 0.00 0.56 0.00 0.00 36.38 34.08 1rgl s VAL 52 CO 0.46 -0.04 0.96 -0.94 -0.31 0.00 0.00 175.10 175.22 1rgl s SER 53 N -2.80 6.57 0.86 4.85 1.04 -1.26 -5.03 113.70 117.93 1rgl s SER 53 Ca 0.28 1.49 -0.12 0.00 0.48 0.00 0.00 55.95 58.07 1rgl s SER 53 Cb -0.10 -2.48 0.14 0.00 0.10 0.00 0.00 66.02 63.68 1rgl s SER 53 CO 0.20 -0.58 1.21 -0.94 0.98 0.00 0.00 173.24 174.10 1rgl s SER 54 N -3.19 3.87 0.73 7.02 1.04 -1.26 -4.64 113.70 117.27 1rgl s SER 54 Ca 0.57 0.40 -0.14 0.00 0.48 0.00 0.00 55.95 57.26 1rgl s SER 54 Cb -0.10 -0.69 0.04 0.00 0.10 0.00 0.00 66.02 65.37 1rgl s SER 54 CO 0.33 -2.26 1.16 -2.84 0.98 0.00 0.00 173.24 170.62 1rgl s PRO 55 N -5.65 2.21 0.11 4.02 0.02 -1.26 -4.83 135.00 129.62 1rgl s PRO 55 Ca 0.68 1.58 0.09 0.00 0.02 0.00 0.00 61.00 63.36 1rgl s PRO 55 Cb -0.07 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 1rgl s PRO 55 CO 0.50 -1.74 -0.17 0.71 -0.33 0.00 0.00 177.00 175.97 1rgl s TYR 56 N -2.25 2.57 0.05 6.54 2.02 -1.26 -2.49 117.35 122.53 1rgl s TYR 56 Ca 0.70 -0.25 0.05 0.00 -0.37 0.00 0.00 57.07 57.20 1rgl s TYR 56 Cb -0.25 -1.36 -0.02 0.00 -0.40 0.00 0.00 41.96 39.93 1rgl s TYR 56 CO 0.47 0.39 -0.13 0.71 -1.57 0.00 0.00 175.55 175.41 1rgl s TYR 57 N -1.15 1.15 -0.04 2.71 1.51 0.65 -0.74 117.35 121.44 1rgl s TYR 57 Ca 0.18 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.89 1rgl s TYR 57 Cb -0.11 -0.67 -0.02 0.00 -0.11 0.00 0.00 41.96 41.05 1rgl s TYR 57 CO 0.11 0.03 -0.18 -1.83 -1.11 0.00 0.00 175.55 172.57 1rgl s GLU 58 N -1.38 2.37 -0.01 -0.62 -1.05 0.43 -1.36 118.70 117.08 1rgl s GLU 58 Ca -0.01 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.04 1rgl s GLU 58 Cb -0.09 -2.27 0.01 0.00 -0.44 0.00 0.00 34.13 31.34 1rgl s GLU 58 CO 0.02 0.60 -0.00 -0.46 0.95 0.00 0.00 175.26 176.37 1rgl s TRP 59 N -0.71 0.18 0.43 4.83 -0.11 -0.70 -2.29 118.94 120.57 1rgl s TRP 59 Ca 0.11 0.01 -0.25 0.00 1.22 0.00 0.00 56.10 57.20 1rgl s TRP 59 Cb -0.10 -0.23 -0.08 0.00 -1.50 0.00 0.00 33.47 31.55 1rgl s TRP 59 CO 0.00 -0.06 1.25 -2.14 -4.62 0.00 0.00 176.95 171.38 1rgl s PRO 60 N 0.54 3.88 -0.16 5.86 0.02 -1.26 -0.90 135.00 142.98 1rgl s PRO 60 Ca -0.05 2.01 0.01 0.00 0.02 0.00 0.00 61.00 62.99 1rgl s PRO 60 Cb -0.08 -2.63 0.01 0.00 0.02 0.00 0.00 34.50 31.82 1rgl s PRO 60 CO -0.01 -0.52 -0.19 -1.50 -0.33 0.00 0.00 177.00 174.45 1rgl s ILE 61 N -1.35 2.26 -0.05 2.83 2.07 -0.98 -4.52 121.20 121.46 1rgl s ILE 61 Ca 0.59 -0.89 -0.15 0.00 -1.41 0.00 0.00 60.65 58.79 1rgl s ILE 61 Cb -0.35 -1.94 -0.05 0.00 0.13 0.00 0.00 42.46 40.25 1rgl s ILE 61 CO 0.44 0.53 0.40 -0.76 -1.91 0.00 0.00 174.94 173.64 1rgl s LEU 62 N 1.06 4.40 0.46 8.50 1.43 -1.26 -4.36 118.68 128.91 1rgl s LEU 62 Ca -0.01 0.86 0.14 0.00 -1.03 0.00 0.00 54.13 54.09 1rgl s LEU 62 Cb -0.14 -2.57 1.09 0.00 0.03 0.00 0.00 46.19 44.60 1rgl s LEU 62 CO -0.06 0.22 2.05 0.77 0.23 0.00 0.00 176.35 179.57 1rgl h SER 63 N 5.42 0.25 0.23 2.29 4.64 -1.96 -1.82 113.55 122.61 1rgl h SER 63 Ca -0.48 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.81 1rgl h SER 63 Cb 1.20 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1rgl h SER 63 CO 0.66 0.17 -0.12 0.77 -0.87 0.00 0.00 176.83 177.44 1rgl h SER 64 N 0.28 0.00 0.00 4.97 4.64 -1.97 -3.47 113.55 118.01 1rgl h SER 64 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1rgl h SER 64 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1rgl h SER 64 CO -0.03 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 1rgl n GLY 65 N -0.92 0.55 3.86 -0.77 0.00 -0.68 -5.06 105.19 102.17 1rgl n GLY 65 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1rgl n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rgl s ASP 66 N -2.85 6.50 0.07 1.61 1.01 -1.26 -5.00 116.67 116.74 1rgl s ASP 66 Ca 0.00 1.33 -0.27 0.00 0.71 0.00 0.00 52.55 54.32 1rgl s ASP 66 Cb 0.00 -2.41 -0.05 0.00 1.01 0.00 0.00 42.92 41.46 1rgl s ASP 66 CO 0.00 -0.55 0.87 -0.69 0.21 0.00 0.00 175.17 175.00 1rgl s VAL 67 N -2.61 4.65 0.18 -1.27 1.01 -1.26 -4.23 120.40 116.87 1rgl s VAL 67 Ca 0.55 1.85 -0.33 0.00 0.00 0.00 0.00 61.98 64.04 1rgl s VAL 67 Cb -0.10 -4.22 -0.14 0.00 0.00 0.00 0.00 36.38 31.92 1rgl s VAL 67 CO 0.35 0.32 1.57 0.00 0.00 0.00 0.00 175.10 177.35 1rgl n TYR 68 N 2.93 2.33 -2.10 5.22 9.36 -1.26 -4.93 117.16 128.71 1rgl n TYR 68 Ca 0.00 0.26 0.04 0.00 3.32 0.00 0.00 57.90 61.53 1rgl n TYR 68 Cb 0.50 -2.55 0.07 0.00 -0.63 0.00 0.00 39.34 36.73 1rgl n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1rgl n SER 69 N 3.30 1.09 0.00 2.98 3.41 -1.26 -5.08 113.62 118.06 1rgl n SER 69 Ca 0.16 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.25 1rgl n SER 69 Cb 0.30 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1rgl n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rgl n GLY 70 N -0.11 -1.88 0.00 5.00 0.00 -1.26 -4.78 105.19 102.16 1rgl n GLY 70 Ca 0.09 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1rgl n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rgl n GLY 71 N -0.44 -0.37 3.70 -0.02 0.00 -1.26 -4.82 105.19 101.99 1rgl n GLY 71 Ca 0.00 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 1rgl n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rgl s SER 72 N -2.19 6.48 0.00 1.61 0.15 -1.26 -4.83 113.70 113.65 1rgl s SER 72 Ca 0.00 2.70 0.28 0.00 0.70 0.00 0.00 55.95 59.63 1rgl s SER 72 Cb 0.00 -2.58 1.02 0.00 -1.71 0.00 0.00 66.02 62.75 1rgl s SER 72 CO 0.00 -0.95 1.73 -0.81 1.20 0.00 0.00 173.24 174.41 1rgl n PRO 73 N 5.07 0.93 0.00 5.44 -0.04 -1.26 -5.01 135.00 140.13 1rgl n PRO 73 Ca 0.16 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 1rgl n PRO 73 Cb 0.38 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1rgl n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rgl n GLY 74 N 1.28 -1.01 0.00 0.55 0.00 -1.26 -4.40 105.19 100.35 1rgl n GLY 74 Ca 0.15 -1.15 0.05 0.00 0.00 0.00 0.00 46.02 45.07 1rgl n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rgl n ALA 75 N 0.82 3.34 -2.46 4.61 0.00 -1.26 -5.02 120.51 120.54 1rgl n ALA 75 Ca 0.00 -0.32 -0.36 0.00 0.00 0.00 0.00 53.44 52.77 1rgl n ALA 75 Cb 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.98 1rgl n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rgl s ASP 76 N -2.26 6.77 0.01 0.00 1.01 -1.26 -1.67 116.67 119.26 1rgl s ASP 76 Ca 0.03 0.96 0.00 0.00 0.71 0.00 0.00 52.55 54.25 1rgl s ASP 76 Cb 0.08 -2.24 -0.01 0.00 1.01 0.00 0.00 42.92 41.76 1rgl s ASP 76 CO 0.47 0.17 -0.02 -0.13 0.21 0.00 0.00 175.17 175.87 1rgl s ARG 77 N -1.77 0.22 -0.14 8.23 1.81 0.39 -2.32 118.95 125.37 1rgl s ARG 77 Ca 0.33 -0.40 -0.07 0.00 -1.72 0.00 0.00 55.73 53.88 1rgl s ARG 77 Cb -0.15 0.04 -0.04 0.00 -0.45 0.00 0.00 34.95 34.34 1rgl s ARG 77 CO 0.18 -0.02 0.11 0.08 -0.68 0.00 0.00 175.30 174.96 1rgl s VAL 78 N -0.92 5.21 -0.19 3.52 1.01 -0.08 -0.95 120.40 128.01 1rgl s VAL 78 Ca -0.10 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1rgl s VAL 78 Cb -0.06 -3.29 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 1rgl s VAL 78 CO -0.01 0.56 -0.11 -0.69 0.00 0.00 0.00 175.10 174.86 1rgl s VAL 79 N -0.54 2.95 0.20 2.92 1.01 0.30 -1.73 120.40 125.52 1rgl s VAL 79 Ca 0.12 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.52 1rgl s VAL 79 Cb -0.12 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 1rgl s VAL 79 CO 0.02 0.48 -0.14 0.72 0.00 0.00 0.00 175.10 176.18 1rgl s PHE 80 N 1.15 1.67 0.52 5.22 -0.12 -0.46 0.08 117.98 126.05 1rgl s PHE 80 Ca 0.01 -0.59 0.08 0.00 -0.05 0.00 0.00 56.93 56.38 1rgl s PHE 80 Cb -0.14 -0.78 0.08 0.00 -0.63 0.00 0.00 43.02 41.54 1rgl s PHE 80 CO -0.03 0.34 0.64 0.27 -0.05 0.00 0.00 175.22 176.38 1rgl n ASN 81 N -0.35 2.11 0.00 1.98 0.23 -0.51 -0.25 115.26 118.47 1rgl n ASN 81 Ca -0.08 -2.49 0.21 0.00 -0.53 0.00 0.00 54.58 51.68 1rgl n ASN 81 Cb 0.60 -0.30 0.70 0.00 -2.08 0.00 0.00 39.78 38.71 1rgl n ASN 81 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1rgl h GLU 82 N 0.00 0.00 -0.66 -3.83 4.57 -1.75 -1.25 114.58 111.65 1rgl h GLU 82 Ca -0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1rgl h GLU 82 Cb 1.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1rgl h GLU 82 CO 0.39 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 178.31 1rgl n ASN 83 N -4.31 4.81 -3.61 1.04 3.02 -1.26 -4.93 115.26 110.01 1rgl n ASN 83 Ca 0.10 -2.74 -0.25 0.00 -0.03 0.00 0.00 54.58 51.66 1rgl n ASN 83 Cb 0.62 -0.65 0.07 0.00 -0.61 0.00 0.00 39.78 39.22 1rgl n ASN 83 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1rgl n ASN 84 N 0.51 -6.23 -4.51 6.41 5.15 -0.47 -4.99 115.26 111.13 1rgl n ASN 84 Ca 0.22 -0.56 -0.34 0.00 -0.60 0.00 0.00 54.58 53.31 1rgl n ASN 84 Cb 1.01 -4.91 -0.12 0.00 -0.53 0.00 0.00 39.78 35.23 1rgl n ASN 84 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1rgl s GLN 85 N -6.33 3.05 0.00 1.20 -0.21 -1.26 -4.90 119.66 111.21 1rgl s GLN 85 Ca 0.59 -0.58 -0.30 0.00 0.02 0.00 0.00 55.36 55.08 1rgl s GLN 85 Cb -0.26 -2.65 -0.06 0.00 1.00 0.00 0.00 33.01 31.04 1rgl s GLN 85 CO 0.73 0.48 1.52 -1.17 -2.12 0.00 0.00 175.29 174.73 1rgl s LEU 86 N -0.33 4.33 -0.20 2.90 2.96 -1.26 -1.43 118.68 125.65 1rgl s LEU 86 Ca 0.04 2.23 -0.13 0.00 -0.22 0.00 0.00 54.13 56.06 1rgl s LEU 86 Cb -0.13 -3.56 -0.20 0.00 0.50 0.00 0.00 46.19 42.81 1rgl s LEU 86 CO 0.02 -0.81 0.11 0.00 -1.32 0.00 0.00 176.35 174.35 1rgl n ALA 87 N 5.83 0.97 0.00 5.97 0.00 0.11 -4.81 120.51 128.58 1rgl n ALA 87 Ca 0.15 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1rgl n ALA 87 Cb 0.43 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1rgl n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rgl n GLY 88 N 1.68 -0.98 3.08 0.00 0.00 -1.09 -4.63 105.19 103.25 1rgl n GLY 88 Ca -0.38 -1.11 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 1rgl n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rgl s VAL 89 N -2.00 1.74 0.26 1.61 1.01 -1.26 -0.54 120.40 121.23 1rgl s VAL 89 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1rgl s VAL 89 Cb 0.00 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 1rgl s VAL 89 CO 0.00 0.49 0.04 0.27 0.00 0.00 0.00 175.10 175.90 1rgl s ILE 90 N 1.15 0.95 -0.00 2.22 -4.36 -0.12 -0.61 121.20 120.42 1rgl s ILE 90 Ca -0.01 -2.02 -0.11 0.00 -0.26 0.00 0.00 60.65 58.25 1rgl s ILE 90 Cb -0.14 -2.55 0.01 0.00 1.25 0.00 0.00 42.46 41.04 1rgl s ILE 90 CO -0.06 -0.15 0.23 0.28 0.24 0.00 0.00 174.94 175.48 1rgl s THR 91 N -3.47 0.07 -0.58 8.37 -1.32 -0.16 -0.46 115.64 118.09 1rgl s THR 91 Ca 0.33 -0.58 0.24 0.00 -1.21 0.00 0.00 61.69 60.47 1rgl s THR 91 Cb 0.07 -0.54 0.22 0.00 -1.51 0.00 0.00 72.50 70.73 1rgl s THR 91 CO 0.12 -0.32 1.55 0.45 -2.21 0.00 0.00 174.62 174.21 1rgl h HIS 92 N 4.03 0.00 -2.11 9.09 3.86 -1.54 -0.97 115.15 127.50 1rgl h HIS 92 Ca -0.30 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.33 1rgl h HIS 92 Cb 1.18 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.67 1rgl h HIS 92 CO 0.56 0.00 1.23 2.41 0.86 0.00 0.00 177.93 182.99 1rgl n THR 93 N -2.50 0.62 -0.82 2.45 -1.04 -1.26 -1.40 114.28 110.32 1rgl n THR 93 Ca 0.04 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1rgl n THR 93 Cb 0.47 -2.15 0.00 0.00 -1.82 0.00 0.00 70.33 66.83 1rgl n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rgl n GLY 94 N 4.77 0.54 3.22 3.41 0.00 -1.26 -4.79 105.19 111.07 1rgl n GLY 94 Ca 0.23 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 1rgl n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rgl s ALA 95 N -2.00 1.54 0.40 4.61 0.00 -0.50 -4.97 121.76 120.85 1rgl s ALA 95 Ca 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 1rgl s ALA 95 Cb 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 1rgl s ALA 95 CO 0.00 0.31 0.71 -1.54 0.00 0.00 0.00 175.76 175.24 1rgl s SER 96 N -1.37 6.39 1.27 0.00 1.04 -1.26 -4.83 113.70 114.94 1rgl s SER 96 Ca 0.05 0.90 0.00 0.00 0.48 0.00 0.00 55.95 57.38 1rgl s SER 96 Cb -0.09 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.80 1rgl s SER 96 CO 0.02 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.44 1rgl n GLY 97 N -1.62 2.86 0.92 7.32 0.00 -1.26 -2.04 105.19 111.37 1rgl n GLY 97 Ca 0.00 -0.33 0.11 0.00 0.00 0.00 0.00 46.02 45.80 1rgl n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rgl n ASN 98 N 3.00 2.75 -4.59 1.61 3.02 -1.26 -4.96 115.26 114.82 1rgl n ASN 98 Ca 0.00 -1.90 -0.29 0.00 -0.03 0.00 0.00 54.58 52.36 1rgl n ASN 98 Cb 0.00 -0.22 0.14 0.00 -0.61 0.00 0.00 39.78 39.10 1rgl n ASN 98 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1rgl s ASN 99 N -1.44 3.49 0.28 6.41 -0.87 -0.86 -5.05 114.94 116.89 1rgl s ASN 99 Ca 0.36 0.73 0.02 0.00 -1.57 0.00 0.00 52.86 52.40 1rgl s ASN 99 Cb 0.20 -1.14 -0.05 0.00 -0.02 0.00 0.00 41.25 40.24 1rgl s ASN 99 CO 0.29 -2.54 0.10 -0.36 -2.57 0.00 0.00 177.10 172.02 1rgl s PHE 100 N -3.47 1.62 0.04 2.20 0.08 -1.26 -4.46 117.98 112.73 1rgl s PHE 100 Ca 0.66 -1.18 0.01 0.00 0.12 0.00 0.00 56.93 56.54 1rgl s PHE 100 Cb -0.11 -0.97 -0.03 0.00 -0.57 0.00 0.00 43.02 41.35 1rgl s PHE 100 CO 0.52 -0.31 -0.05 0.14 -0.10 0.00 0.00 175.22 175.42 1rgl s VAL 101 N -3.64 0.34 0.42 -0.44 -7.23 -0.37 -4.92 120.40 104.56 1rgl s VAL 101 Ca 0.37 -1.25 -0.20 0.00 -1.81 0.00 0.00 61.98 59.09 1rgl s VAL 101 Cb 0.07 -0.76 -0.10 0.00 0.56 0.00 0.00 36.38 36.14 1rgl s VAL 101 CO 0.15 -0.59 0.91 -1.61 -0.31 0.00 0.00 175.10 173.64 1rgl s GLU 102 N -2.21 4.17 0.17 4.82 2.02 -1.26 -0.99 118.70 125.41 1rgl s GLU 102 Ca -0.07 1.02 -0.29 0.00 0.02 0.00 0.00 54.97 55.66 1rgl s GLU 102 Cb -0.05 -2.22 -0.08 0.00 0.10 0.00 0.00 34.13 31.88 1rgl s GLU 102 CO -0.03 -0.01 0.90 0.00 0.02 0.00 0.00 175.26 176.14