#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgg s VAL 2 N 0.00 4.84 -1.41 2.53 1.01 -1.26 -4.70 120.40 121.40 1rgg s VAL 2 Ca 0.00 1.84 -0.09 0.00 0.00 0.00 0.00 61.98 63.74 1rgg s VAL 2 Cb 0.00 -4.23 0.06 0.00 0.00 0.00 0.00 36.38 32.22 1rgg s VAL 2 CO 0.00 0.03 2.42 -1.54 0.00 0.00 0.00 175.10 176.01 1rgg n SER 3 N 5.02 7.13 0.00 3.32 3.41 0.17 -4.96 113.62 127.71 1rgg n SER 3 Ca 0.06 -2.94 0.00 0.00 -0.26 0.00 0.00 58.87 55.73 1rgg n SER 3 Cb 0.49 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 1rgg n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rgg n GLY 4 N 2.74 -2.38 3.58 5.00 0.00 -1.26 -4.61 105.19 108.26 1rgg n GLY 4 Ca 0.61 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 1rgg n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rgg s THR 5 N -0.39 3.43 -0.02 2.61 2.01 -1.26 -1.32 115.64 120.69 1rgg s THR 5 Ca 0.00 -1.15 0.04 0.00 0.31 0.00 0.00 61.69 60.88 1rgg s THR 5 Cb 0.00 -2.58 -0.00 0.00 0.01 0.00 0.00 72.50 69.93 1rgg s THR 5 CO 0.00 0.18 -0.13 0.54 -0.69 0.00 0.00 174.62 174.52 1rgg s VAL 6 N -1.17 1.07 0.34 3.82 0.11 0.07 -4.89 120.40 119.75 1rgg s VAL 6 Ca 0.21 -0.55 -0.28 0.00 -2.93 0.00 0.00 61.98 58.43 1rgg s VAL 6 Cb -0.11 -0.92 -0.10 0.00 -1.53 0.00 0.00 36.38 33.72 1rgg s VAL 6 CO 0.12 0.31 1.24 0.00 -3.33 0.00 0.00 175.10 173.45 1rgg h LEU 8 N 3.25 0.70 -2.18 0.00 5.85 -0.82 -1.28 115.31 120.82 1rgg h LEU 8 Ca -0.49 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1rgg h LEU 8 Cb 1.23 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1rgg h LEU 8 CO 0.65 0.47 0.00 0.77 -0.34 0.00 0.00 178.44 179.98 1rgg h SER 9 N 0.80 0.00 0.91 1.25 4.64 -1.70 -2.42 113.55 117.04 1rgg h SER 9 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1rgg h SER 9 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1rgg h SER 9 CO -0.10 0.00 -0.61 0.00 -0.87 0.00 0.00 176.83 175.26 1rgg h ALA 10 N 2.02 0.60 -2.26 5.18 0.00 -1.51 -3.47 119.26 119.81 1rgg h ALA 10 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1rgg h ALA 10 Cb 0.18 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.02 1rgg h ALA 10 CO 0.00 0.00 0.15 -0.51 0.00 0.00 0.00 179.25 178.89 1rgg s LEU 11 N -4.32 3.30 0.68 0.00 1.43 -0.91 -5.04 118.68 113.82 1rgg s LEU 11 Ca 0.06 0.70 -0.17 0.00 -1.03 0.00 0.00 54.13 53.69 1rgg s LEU 11 Cb 0.13 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.79 1rgg s LEU 11 CO 0.72 -1.00 0.92 -2.65 0.23 0.00 0.00 176.35 174.57 1rgg n PRO 12 N -2.52 0.62 0.26 1.29 -0.02 -1.26 -4.85 135.00 128.53 1rgg n PRO 12 Ca 0.04 0.26 0.09 0.00 -2.02 0.00 0.00 63.50 61.87 1rgg n PRO 12 Cb 0.57 -2.16 0.66 0.00 -0.02 0.00 0.00 33.50 32.56 1rgg n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1rgg h PRO 13 N 0.00 0.00 0.00 0.52 0.13 -1.95 -1.38 132.00 129.31 1rgg h PRO 13 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1rgg h PRO 13 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1rgg h PRO 13 CO 0.48 0.08 0.00 0.93 -0.23 0.00 0.00 178.00 179.26 1rgg h GLU 14 N 0.00 0.00 -0.43 0.86 3.07 -1.88 -1.93 114.58 114.27 1rgg h GLU 14 Ca -0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.78 1rgg h GLU 14 Cb 0.16 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 1rgg h GLU 14 CO 0.01 0.00 -0.04 0.00 -1.40 0.00 0.00 179.01 177.58 1rgg h ALA 15 N 2.00 1.12 -0.57 3.43 0.00 -1.59 -1.24 119.26 122.41 1rgg h ALA 15 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1rgg h ALA 15 Cb 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1rgg h ALA 15 CO 0.00 0.56 0.18 1.15 0.00 0.00 0.00 179.25 181.13 1rgg h THR 16 N 0.67 1.24 -0.31 0.00 2.02 -1.50 -1.72 112.91 113.31 1rgg h THR 16 Ca 0.13 -0.81 0.06 0.00 0.77 0.00 0.00 66.41 66.55 1rgg h THR 16 Cb 0.47 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.52 1rgg h THR 16 CO 0.02 0.30 -0.02 0.44 0.37 0.00 0.00 175.52 176.64 1rgg h ASP 17 N 0.80 -0.17 -0.40 4.18 3.32 -1.41 -0.57 116.42 122.18 1rgg h ASP 17 Ca 0.18 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 1rgg h ASP 17 Cb 0.28 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1rgg h ASP 17 CO -0.01 -0.05 0.20 0.74 -1.72 0.00 0.00 179.24 178.41 1rgg h THR 18 N 0.07 1.16 -0.82 0.35 2.02 -1.05 -1.77 112.91 112.86 1rgg h THR 18 Ca 0.15 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1rgg h THR 18 Cb 0.21 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1rgg h THR 18 CO -0.27 0.17 0.48 -0.07 0.37 0.00 0.00 175.52 176.21 1rgg h LEU 19 N 0.51 0.99 -1.05 2.58 3.38 -0.95 0.14 115.31 120.91 1rgg h LEU 19 Ca 0.14 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1rgg h LEU 19 Cb 0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1rgg h LEU 19 CO -0.02 0.77 -0.05 0.78 0.09 0.00 0.00 178.44 180.01 1rgg h ASN 20 N 1.14 0.59 -0.34 -0.43 2.35 -0.70 -1.43 115.58 116.76 1rgg h ASN 20 Ca 0.29 -0.14 -0.14 0.00 -0.55 0.00 0.00 56.30 55.76 1rgg h ASN 20 Cb -0.03 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1rgg h ASN 20 CO -0.05 0.70 -0.32 -0.07 -1.65 0.00 0.00 177.43 176.03 1rgg h LEU 21 N 0.58 0.91 -0.81 1.61 3.38 -0.66 -2.72 115.31 117.60 1rgg h LEU 21 Ca 0.11 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1rgg h LEU 21 Cb 0.45 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1rgg h LEU 21 CO 0.02 1.15 0.48 0.40 0.09 0.00 0.00 178.44 180.59 1rgg h ILE 22 N 0.73 1.23 -0.40 1.22 2.04 -0.66 0.38 117.51 122.04 1rgg h ILE 22 Ca 0.08 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.43 1rgg h ILE 22 Cb 0.89 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1rgg h ILE 22 CO 0.08 0.24 0.27 0.00 0.00 0.00 0.00 178.15 178.74 1rgg h ALA 23 N 1.26 1.73 -0.04 1.87 0.00 -1.07 -1.97 119.26 121.04 1rgg h ALA 23 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1rgg h ALA 23 Cb -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1rgg h ALA 23 CO -0.05 0.24 0.00 -1.13 0.00 0.00 0.00 179.25 178.31 1rgg n SER 24 N -4.48 2.44 -3.62 0.00 3.41 -0.96 -4.95 113.62 105.46 1rgg n SER 24 Ca 0.03 -1.81 -0.22 0.00 -0.26 0.00 0.00 58.87 56.61 1rgg n SER 24 Cb 0.07 -0.01 0.06 0.00 -0.26 0.00 0.00 64.21 64.07 1rgg n SER 24 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1rgg n ASP 25 N 0.90 -3.22 0.00 4.04 2.03 -0.42 -4.76 116.55 115.12 1rgg n ASP 25 Ca 0.16 -0.68 0.00 0.00 0.52 0.00 0.00 54.79 54.79 1rgg n ASP 25 Cb 0.50 -4.61 0.00 0.00 -0.72 0.00 0.00 41.12 36.29 1rgg n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rgg n GLY 26 N -1.54 -1.25 3.75 0.27 0.00 -0.01 -4.79 105.19 101.61 1rgg n GLY 26 Ca -0.17 -1.44 -0.38 0.00 0.00 0.00 0.00 46.02 44.02 1rgg n GLY 26 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rgg s PRO 27 N 0.00 3.05 0.09 1.61 0.02 -1.26 -4.97 135.00 133.54 1rgg s PRO 27 Ca 0.00 2.18 0.02 0.00 0.02 0.00 0.00 61.00 63.21 1rgg s PRO 27 Cb 0.00 -2.18 -0.04 0.00 0.02 0.00 0.00 34.50 32.30 1rgg s PRO 27 CO 0.00 -1.24 0.20 -0.06 -0.33 0.00 0.00 177.00 175.57 1rgg s PHE 28 N -1.34 3.42 0.25 6.54 0.08 -1.26 -5.03 117.98 120.65 1rgg s PHE 28 Ca 0.73 0.17 0.07 0.00 0.12 0.00 0.00 56.93 58.02 1rgg s PHE 28 Cb -0.39 -1.69 0.30 0.00 -0.57 0.00 0.00 43.02 40.67 1rgg s PHE 28 CO 0.45 0.55 1.59 -1.00 -0.10 0.00 0.00 175.22 176.72 1rgg h PRO 29 N 2.84 0.15 -6.36 0.24 0.13 -1.98 -3.45 132.00 123.57 1rgg h PRO 29 Ca -0.46 -0.10 -0.68 0.00 -0.87 0.00 0.00 66.00 63.89 1rgg h PRO 29 Cb 1.17 0.02 -0.18 0.00 0.13 0.00 0.00 31.00 32.14 1rgg h PRO 29 CO 0.71 0.70 -0.73 0.71 -0.23 0.00 0.00 178.00 179.17 1rgg s TYR 30 N -3.73 2.81 0.37 1.56 2.02 -1.26 -5.02 117.35 114.10 1rgg s TYR 30 Ca -0.03 -0.09 0.28 0.00 -0.37 0.00 0.00 57.07 56.86 1rgg s TYR 30 Cb 0.12 -1.57 1.42 0.00 -0.40 0.00 0.00 41.96 41.53 1rgg s TYR 30 CO 0.78 0.35 2.05 0.66 -1.57 0.00 0.00 175.55 177.82 1rgg h SER 31 N 4.49 0.00 0.66 2.29 4.64 -2.05 -1.64 113.55 121.94 1rgg h SER 31 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1rgg h SER 31 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1rgg h SER 31 CO 0.52 0.12 -0.04 0.00 -0.87 0.00 0.00 176.83 176.57 1rgg n GLN 32 N -3.53 0.32 -2.03 4.77 1.13 -1.26 -4.84 117.38 111.93 1rgg n GLN 32 Ca -0.01 -0.03 -0.42 0.00 -1.94 0.00 0.00 57.00 54.60 1rgg n GLN 32 Cb 0.26 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.08 1rgg n GLN 32 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1rgg s ASP 33 N -2.70 6.69 0.00 1.08 1.01 -0.62 -2.88 116.67 119.24 1rgg s ASP 33 Ca 0.24 2.48 0.00 0.00 0.71 0.00 0.00 52.55 55.98 1rgg s ASP 33 Cb 0.20 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.54 1rgg s ASP 33 CO 0.49 -0.76 0.00 0.61 0.21 0.00 0.00 175.17 175.72 1rgg n GLY 34 N 3.67 0.76 3.78 0.21 0.00 0.50 -5.01 105.19 109.10 1rgg n GLY 34 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1rgg n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rgg s VAL 35 N -2.33 3.41 0.30 1.61 -7.23 -1.14 -4.65 120.40 110.36 1rgg s VAL 35 Ca 0.00 0.46 -0.29 0.00 -1.81 0.00 0.00 61.98 60.33 1rgg s VAL 35 Cb 0.00 -3.00 -0.10 0.00 0.56 0.00 0.00 36.38 33.84 1rgg s VAL 35 CO 0.00 -0.60 1.33 -0.69 -0.31 0.00 0.00 175.10 174.83 1rgg s VAL 36 N -2.94 2.78 -0.28 1.32 1.01 -1.26 -1.19 120.40 119.84 1rgg s VAL 36 Ca 0.61 0.74 -0.12 0.00 0.00 0.00 0.00 61.98 63.21 1rgg s VAL 36 Cb -0.17 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1rgg s VAL 36 CO 0.56 0.15 0.22 0.12 0.00 0.00 0.00 175.10 176.16 1rgg s PHE 37 N -0.73 3.22 -0.52 5.22 5.36 -0.14 -4.77 117.98 125.62 1rgg s PHE 37 Ca 0.52 0.16 0.25 0.00 -0.96 0.00 0.00 56.93 56.90 1rgg s PHE 37 Cb -0.40 -2.42 0.64 0.00 -0.34 0.00 0.00 43.02 40.51 1rgg s PHE 37 CO 0.49 -0.18 1.71 1.96 -1.46 0.00 0.00 175.22 177.74 1rgg h GLN 38 N 8.34 0.00 -6.10 10.12 4.20 -1.95 -3.40 115.11 126.32 1rgg h GLN 38 Ca -0.34 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 57.93 1rgg h GLN 38 Cb 1.18 0.00 0.04 0.00 0.30 0.00 0.00 27.48 29.01 1rgg h GLN 38 CO 0.57 0.00 -0.75 -1.71 -0.67 0.00 0.00 178.83 176.27 1rgg n ASN 39 N -2.72 -4.32 -0.33 1.46 5.15 -1.26 -4.87 115.26 108.37 1rgg n ASN 39 Ca 0.04 -0.71 0.10 0.00 -0.60 0.00 0.00 54.58 53.41 1rgg n ASN 39 Cb 0.46 -4.31 0.28 0.00 -0.53 0.00 0.00 39.78 35.68 1rgg n ASN 39 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1rgg h ARG 40 N -2.20 0.71 -0.61 1.20 3.08 -1.99 -1.49 114.38 113.08 1rgg h ARG 40 Ca -0.58 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.42 1rgg h ARG 40 Cb 1.37 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1rgg h ARG 40 CO 0.61 0.47 0.00 0.39 -1.07 0.00 0.00 179.97 180.37 1rgg n GLU 41 N -4.80 2.78 -3.16 0.04 -0.58 -1.26 -4.95 120.64 108.71 1rgg n GLU 41 Ca 0.21 -2.21 -0.22 0.00 -0.42 0.00 0.00 57.16 54.52 1rgg n GLU 41 Cb 0.51 -1.61 0.01 0.00 -0.57 0.00 0.00 31.44 29.77 1rgg n GLU 41 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1rgg n SER 42 N 1.05 -4.49 -0.04 1.62 7.64 -0.56 -4.86 113.62 113.99 1rgg n SER 42 Ca 0.20 -0.29 -0.16 0.00 1.01 0.00 0.00 58.87 59.63 1rgg n SER 42 Cb 0.62 -3.69 -0.06 0.00 -1.01 0.00 0.00 64.21 60.08 1rgg n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1rgg h VAL 43 N -0.99 1.28 -3.07 0.44 2.07 -1.93 -3.41 116.25 110.64 1rgg h VAL 43 Ca -0.45 -1.90 -0.48 0.00 0.82 0.00 0.00 66.70 64.70 1rgg h VAL 43 Cb 1.31 1.87 0.02 0.00 -1.52 0.00 0.00 31.29 32.97 1rgg h VAL 43 CO 0.52 0.61 -0.06 -0.76 0.02 0.00 0.00 177.57 177.90 1rgg s LEU 44 N -8.49 3.79 0.45 2.57 1.43 -1.26 -0.80 118.68 116.38 1rgg s LEU 44 Ca -0.10 0.58 -0.23 0.00 -1.03 0.00 0.00 54.13 53.35 1rgg s LEU 44 Cb 0.09 -3.47 -0.10 0.00 0.03 0.00 0.00 46.19 42.74 1rgg s LEU 44 CO 0.90 -0.49 0.97 -2.65 0.23 0.00 0.00 176.35 175.31 1rgg n PRO 45 N -2.02 1.24 -2.12 1.29 -0.02 -1.26 -4.88 135.00 127.23 1rgg n PRO 45 Ca -0.02 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 1rgg n PRO 45 Cb 0.56 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 1rgg n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1rgg s THR 46 N -1.33 3.37 0.20 3.45 2.01 -1.26 -5.00 115.64 117.08 1rgg s THR 46 Ca 0.65 0.87 -0.00 0.00 0.31 0.00 0.00 61.69 63.52 1rgg s THR 46 Cb -0.53 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1rgg s THR 46 CO 0.55 0.02 0.09 -1.10 -0.69 0.00 0.00 174.62 173.50 1rgg s GLN 47 N 1.99 1.20 0.64 4.92 -1.52 -1.26 -5.14 119.66 120.48 1rgg s GLN 47 Ca 0.67 -1.62 -0.18 0.00 -1.95 0.00 0.00 55.36 52.28 1rgg s GLN 47 Cb -0.36 0.05 -0.01 0.00 -0.22 0.00 0.00 33.01 32.47 1rgg s GLN 47 CO 0.29 -0.31 1.22 -1.12 -0.25 0.00 0.00 175.29 175.12 1rgg s SER 48 N -3.18 4.86 0.20 5.90 0.01 -1.26 -4.92 113.70 115.30 1rgg s SER 48 Ca 0.34 2.42 -0.33 0.00 1.31 0.00 0.00 55.95 59.69 1rgg s SER 48 Cb 0.07 -2.60 -0.13 0.00 0.21 0.00 0.00 66.02 63.57 1rgg s SER 48 CO 0.10 -1.82 1.63 0.00 0.41 0.00 0.00 173.24 173.56 1rgg n TYR 49 N -1.92 2.52 0.00 2.43 4.19 -1.26 -2.06 117.16 121.06 1rgg n TYR 49 Ca 0.14 0.18 0.00 0.00 3.31 0.00 0.00 57.90 61.53 1rgg n TYR 49 Cb 0.49 -2.60 0.00 0.00 0.49 0.00 0.00 39.34 37.73 1rgg n TYR 49 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1rgg n GLY 50 N 3.46 1.42 0.30 2.98 0.00 -1.26 -4.95 105.19 107.14 1rgg n GLY 50 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 1rgg n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1rgg h TYR 51 N 0.00 1.02 -3.33 1.61 5.03 -1.76 -3.44 116.97 116.11 1rgg h TYR 51 Ca 0.00 -0.16 -0.67 0.00 2.58 0.00 0.00 58.73 60.48 1rgg h TYR 51 Cb 0.00 -0.27 -0.14 0.00 1.55 0.00 0.00 36.73 37.87 1rgg h TYR 51 CO 0.00 0.92 -0.63 0.71 -1.32 0.00 0.00 178.16 177.84 1rgg s TYR 52 N -4.99 3.12 0.10 -3.82 2.02 -1.26 -3.59 117.35 108.93 1rgg s TYR 52 Ca -0.11 0.12 0.05 0.00 -0.37 0.00 0.00 57.07 56.77 1rgg s TYR 52 Cb 0.14 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.96 1rgg s TYR 52 CO 0.84 0.47 -0.13 -1.01 -1.57 0.00 0.00 175.55 174.15 1rgg s HIS 53 N -1.04 1.25 0.08 2.71 3.76 -0.75 -0.97 115.29 120.34 1rgg s HIS 53 Ca 0.18 -0.57 0.10 0.00 -0.15 0.00 0.00 55.06 54.62 1rgg s HIS 53 Cb -0.11 -0.67 -0.03 0.00 1.11 0.00 0.00 32.58 32.87 1rgg s HIS 53 CO 0.08 0.08 -0.26 -2.00 -0.85 0.00 0.00 174.74 171.79 1rgg s GLU 54 N -2.54 1.58 0.00 1.40 2.12 -0.34 -0.75 118.70 120.18 1rgg s GLU 54 Ca 0.06 -1.20 0.00 0.00 0.36 0.00 0.00 54.97 54.18 1rgg s GLU 54 Cb -0.05 -1.89 -0.00 0.00 0.26 0.00 0.00 34.13 32.44 1rgg s GLU 54 CO 0.02 0.47 -0.01 0.71 -0.54 0.00 0.00 175.26 175.91 1rgg s TYR 55 N -0.93 0.05 0.23 5.30 1.51 -0.08 -0.37 117.35 123.07 1rgg s TYR 55 Ca 0.12 -0.07 -0.30 0.00 -1.01 0.00 0.00 57.07 55.81 1rgg s TYR 55 Cb -0.10 -0.04 -0.09 0.00 -0.11 0.00 0.00 41.96 41.63 1rgg s TYR 55 CO 0.04 -0.02 1.19 0.99 -1.11 0.00 0.00 175.55 176.64 1rgg s THR 56 N -0.19 3.40 -0.32 -0.71 2.01 -1.26 -1.25 115.64 117.32 1rgg s THR 56 Ca -0.02 1.26 -0.09 0.00 0.31 0.00 0.00 61.69 63.15 1rgg s THR 56 Cb -0.01 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.70 1rgg s THR 56 CO -0.00 0.24 0.14 -0.69 -0.69 0.00 0.00 174.62 173.62 1rgg s VAL 57 N -0.49 4.34 0.35 3.82 1.01 -0.69 -4.79 120.40 123.94 1rgg s VAL 57 Ca 0.50 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 1rgg s VAL 57 Cb -0.34 -3.28 -0.11 0.00 0.00 0.00 0.00 36.38 32.66 1rgg s VAL 57 CO 0.40 -0.00 1.43 -0.63 0.00 0.00 0.00 175.10 176.30 1rgg s ILE 58 N 1.55 2.32 -0.36 2.22 1.01 -1.26 -4.44 121.20 122.24 1rgg s ILE 58 Ca 0.03 0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.91 1rgg s ILE 58 Cb -0.18 -3.20 0.04 0.00 0.01 0.00 0.00 42.46 39.13 1rgg s ILE 58 CO 0.05 0.07 0.15 -0.89 0.00 0.00 0.00 174.94 174.32 1rgg s THR 59 N -0.95 4.05 0.42 2.92 2.01 -1.26 -4.78 115.64 118.04 1rgg s THR 59 Ca 0.53 -1.08 -0.26 0.00 0.31 0.00 0.00 61.69 61.18 1rgg s THR 59 Cb -0.44 -3.30 -0.09 0.00 0.01 0.00 0.00 72.50 68.68 1rgg s THR 59 CO 0.57 -0.23 1.43 -2.16 -0.69 0.00 0.00 174.62 173.54 1rgg s PRO 60 N 1.45 3.85 0.00 4.92 0.04 -1.26 -2.13 135.00 141.87 1rgg s PRO 60 Ca -0.00 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1rgg s PRO 60 Cb -0.20 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1rgg s PRO 60 CO 0.04 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.80 1rgg n GLY 61 N 0.56 2.43 3.80 0.56 0.00 -1.26 -5.04 105.19 106.25 1rgg n GLY 61 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1rgg n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rgg s ALA 62 N -2.23 3.07 -0.88 4.61 0.00 -0.90 -4.97 121.76 120.46 1rgg s ALA 62 Ca 0.00 0.49 0.25 0.00 0.00 0.00 0.00 51.96 52.70 1rgg s ALA 62 Cb 0.00 -3.18 0.48 0.00 0.00 0.00 0.00 23.12 20.42 1rgg s ALA 62 CO 0.00 0.05 1.40 2.89 0.00 0.00 0.00 175.76 180.10 1rgg n ARG 63 N -0.31 0.10 -3.48 0.00 1.85 -1.26 -4.90 116.66 108.66 1rgg n ARG 63 Ca 0.06 0.03 -0.19 0.00 -1.00 0.00 0.00 57.85 56.75 1rgg n ARG 63 Cb 0.52 -1.56 -0.04 0.00 -1.05 0.00 0.00 32.46 30.34 1rgg n ARG 63 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1rgg n THR 64 N -1.70 0.00 0.21 8.89 -2.24 -1.26 -5.00 114.28 113.18 1rgg n THR 64 Ca 0.05 -1.38 0.11 0.00 -2.27 0.00 0.00 64.05 60.56 1rgg n THR 64 Cb 0.37 0.23 0.55 0.00 -2.10 0.00 0.00 70.33 69.38 1rgg n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rgg n ARG 65 N -0.78 0.15 0.00 -0.78 1.74 -1.26 -4.87 116.66 110.85 1rgg n ARG 65 Ca -0.11 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 1rgg n ARG 65 Cb 0.37 -1.93 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 1rgg n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rgg n GLY 66 N -1.01 -0.38 0.16 -0.13 0.00 -1.26 -4.55 105.19 98.03 1rgg n GLY 66 Ca -0.01 -1.09 0.02 0.00 0.00 0.00 0.00 46.02 44.94 1rgg n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rgg n THR 67 N 0.00 0.32 -3.79 2.61 -2.24 -1.26 -4.96 114.28 104.95 1rgg n THR 67 Ca 0.00 -0.66 -0.35 0.00 -2.27 0.00 0.00 64.05 60.76 1rgg n THR 67 Cb 0.00 0.89 -0.08 0.00 -2.10 0.00 0.00 70.33 69.04 1rgg n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1rgg s ARG 68 N -0.52 3.97 0.04 -0.78 0.52 -1.26 -1.15 118.95 119.77 1rgg s ARG 68 Ca 0.05 -0.21 -0.08 0.00 -0.52 0.00 0.00 55.73 54.97 1rgg s ARG 68 Cb 0.03 -3.34 -0.00 0.00 0.52 0.00 0.00 34.95 32.16 1rgg s ARG 68 CO 0.05 0.43 0.17 1.03 0.02 0.00 0.00 175.30 176.99 1rgg s ARG 69 N -0.02 0.67 -0.14 3.54 1.81 -0.32 -1.70 118.95 122.80 1rgg s ARG 69 Ca 0.10 -0.68 -0.02 0.00 -1.72 0.00 0.00 55.73 53.41 1rgg s ARG 69 Cb -0.11 0.27 -0.02 0.00 -0.45 0.00 0.00 34.95 34.64 1rgg s ARG 69 CO -0.00 -0.19 -0.07 0.42 -0.68 0.00 0.00 175.30 174.78 1rgg s ILE 70 N -2.62 3.57 -0.17 1.52 1.01 -0.38 -1.55 121.20 122.58 1rgg s ILE 70 Ca -0.05 -0.48 -0.03 0.00 0.00 0.00 0.00 60.65 60.09 1rgg s ILE 70 Cb -0.01 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 1rgg s ILE 70 CO -0.04 0.52 -0.05 -0.63 0.00 0.00 0.00 174.94 174.73 1rgg s ILE 71 N 0.24 3.70 0.02 2.92 1.09 0.05 -0.90 121.20 128.31 1rgg s ILE 71 Ca -0.05 -0.42 -0.03 0.00 -1.10 0.00 0.00 60.65 59.05 1rgg s ILE 71 Cb -0.14 -2.63 -0.04 0.00 -1.06 0.00 0.00 42.46 38.59 1rgg s ILE 71 CO 0.04 0.48 0.23 0.42 -0.10 0.00 0.00 174.94 176.00 1rgg s THR 72 N 0.60 5.37 0.47 2.92 -4.23 0.07 -0.44 115.64 120.39 1rgg s THR 72 Ca -0.03 -0.12 0.04 0.00 -1.18 0.00 0.00 61.69 60.39 1rgg s THR 72 Cb -0.15 -3.57 0.04 0.00 1.34 0.00 0.00 72.50 70.16 1rgg s THR 72 CO 0.03 0.27 0.30 0.61 -0.54 0.00 0.00 174.62 175.29 1rgg n GLY 73 N 0.76 2.90 0.18 3.99 0.00 -0.07 -1.80 105.19 111.14 1rgg n GLY 73 Ca -0.09 -2.29 0.12 0.00 0.00 0.00 0.00 46.02 43.76 1rgg n GLY 73 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1rgg h GLU 74 N 0.00 0.00 -7.33 1.61 5.08 -1.85 -3.43 114.58 108.65 1rgg h GLU 74 Ca -0.31 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.55 1rgg h GLU 74 Cb 1.09 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.40 1rgg h GLU 74 CO 0.49 0.00 0.41 0.00 -1.00 0.00 0.00 179.01 178.90 1rgg s ALA 75 N -3.18 3.04 0.13 3.43 0.00 -1.26 -4.94 121.76 118.98 1rgg s ALA 75 Ca 0.08 -0.02 -0.32 0.00 0.00 0.00 0.00 51.96 51.69 1rgg s ALA 75 Cb 0.08 -3.10 -0.12 0.00 0.00 0.00 0.00 23.12 19.98 1rgg s ALA 75 CO 0.65 -0.69 1.75 0.25 0.00 0.00 0.00 175.76 177.72 1rgg n THR 76 N -2.62 0.22 -1.81 0.00 -2.24 -1.26 -1.93 114.28 104.63 1rgg n THR 76 Ca 0.06 -0.04 -0.21 0.00 -2.27 0.00 0.00 64.05 61.60 1rgg n THR 76 Cb 0.54 -1.92 -0.07 0.00 -2.10 0.00 0.00 70.33 66.78 1rgg n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rgg n GLN 77 N 4.83 -1.49 -2.90 -0.78 6.02 -1.26 -4.90 117.38 116.91 1rgg n GLN 77 Ca 0.18 1.16 -0.44 0.00 -0.01 0.00 0.00 57.00 57.90 1rgg n GLN 77 Cb 0.34 -5.61 -0.03 0.00 1.02 0.00 0.00 30.24 25.96 1rgg n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1rgg s GLU 78 N -4.09 3.60 -0.07 -1.09 2.12 -0.82 -4.87 118.70 113.49 1rgg s GLU 78 Ca 0.00 -1.71 0.01 0.00 0.36 0.00 0.00 54.97 53.63 1rgg s GLU 78 Cb 0.00 -4.95 0.02 0.00 0.26 0.00 0.00 34.13 29.46 1rgg s GLU 78 CO 0.00 -1.81 -0.07 -0.51 -0.54 0.00 0.00 175.26 172.33 1rgg s ASP 79 N 3.74 1.58 -0.03 -1.70 1.01 -1.26 -0.89 116.67 119.11 1rgg s ASP 79 Ca 0.34 -0.22 0.05 0.00 0.71 0.00 0.00 52.55 53.43 1rgg s ASP 79 Cb -0.04 -0.67 -0.02 0.00 1.01 0.00 0.00 42.92 43.19 1rgg s ASP 79 CO -0.10 -0.05 -0.18 -0.31 0.21 0.00 0.00 175.17 174.74 1rgg s TYR 80 N 1.11 2.58 -0.11 4.23 2.02 0.41 -0.92 117.35 126.67 1rgg s TYR 80 Ca -0.07 -0.25 -0.04 0.00 -0.37 0.00 0.00 57.07 56.34 1rgg s TYR 80 Cb -0.14 -1.57 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 1rgg s TYR 80 CO -0.01 0.13 0.04 -0.47 -1.57 0.00 0.00 175.55 173.67 1rgg s TYR 81 N -0.72 3.27 -0.04 2.71 5.04 0.10 -0.77 117.35 126.94 1rgg s TYR 81 Ca 0.11 0.24 0.04 0.00 -2.44 0.00 0.00 57.07 55.02 1rgg s TYR 81 Cb -0.10 -1.87 -0.00 0.00 0.35 0.00 0.00 41.96 40.34 1rgg s TYR 81 CO 0.01 0.48 -0.14 -0.08 -1.34 0.00 0.00 175.55 174.47 1rgg s THR 82 N -0.72 1.20 -1.59 4.34 -1.32 -0.59 -1.36 115.64 115.59 1rgg s THR 82 Ca 0.12 -0.59 0.13 0.00 -1.21 0.00 0.00 61.69 60.14 1rgg s THR 82 Cb -0.12 -1.04 0.14 0.00 -1.51 0.00 0.00 72.50 69.97 1rgg s THR 82 CO 0.02 0.35 0.97 0.61 -2.21 0.00 0.00 174.62 174.37 1rgg n GLY 83 N 3.20 0.25 1.79 6.08 0.00 -1.26 -1.17 105.19 114.08 1rgg n GLY 83 Ca -0.18 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.41 1rgg n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rgg n ASP 84 N 0.74 2.31 -3.51 1.61 5.68 -1.17 -4.38 116.55 117.84 1rgg n ASP 84 Ca 0.09 -2.88 -0.19 0.00 -0.50 0.00 0.00 54.79 51.30 1rgg n ASP 84 Cb 0.35 -0.41 0.06 0.00 -1.14 0.00 0.00 41.12 39.98 1rgg n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1rgg n HIS 85 N -0.48 -2.12 -0.99 2.11 -0.00 -0.30 -2.90 115.22 110.55 1rgg n HIS 85 Ca 0.19 0.86 0.00 0.00 -0.00 0.00 0.00 57.72 58.76 1rgg n HIS 85 Cb 0.90 -4.56 0.00 0.00 -0.00 0.00 0.00 29.99 26.34 1rgg n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1rgg n TYR 86 N -4.03 0.00 -0.04 1.57 4.01 -1.26 -4.91 117.16 112.50 1rgg n TYR 86 Ca -0.24 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.35 1rgg n TYR 86 Cb 0.66 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.61 1rgg n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rgg h ALA 87 N 0.00 0.21 -2.94 -0.72 0.00 -1.94 -3.46 119.26 110.41 1rgg h ALA 87 Ca 0.00 -0.46 -0.35 0.00 0.00 0.00 0.00 54.91 54.09 1rgg h ALA 87 Cb 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 17.58 1rgg h ALA 87 CO 0.00 0.31 -0.75 0.95 0.00 0.00 0.00 179.25 179.76 1rgg s THR 88 N -3.79 1.02 0.02 0.00 -4.23 -1.26 -5.06 115.64 102.33 1rgg s THR 88 Ca -0.13 -1.54 0.01 0.00 -1.18 0.00 0.00 61.69 58.85 1rgg s THR 88 Cb 0.05 -1.27 -0.02 0.00 1.34 0.00 0.00 72.50 72.61 1rgg s THR 88 CO 0.81 -0.45 -0.04 -0.36 -0.54 0.00 0.00 174.62 174.04 1rgg s PHE 89 N -2.05 0.39 0.01 3.99 0.40 -1.26 -4.40 117.98 115.05 1rgg s PHE 89 Ca 0.03 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 56.03 1rgg s PHE 89 Cb -0.05 -0.25 -0.02 0.00 0.51 0.00 0.00 43.02 43.21 1rgg s PHE 89 CO 0.01 -0.10 -0.18 -1.12 0.70 0.00 0.00 175.22 174.53 1rgg s SER 90 N -1.13 2.09 0.12 1.36 0.01 -0.46 -0.65 113.70 115.04 1rgg s SER 90 Ca -0.09 -0.39 -0.30 0.00 1.31 0.00 0.00 55.95 56.48 1rgg s SER 90 Cb -0.08 -0.20 -0.07 0.00 0.21 0.00 0.00 66.02 65.88 1rgg s SER 90 CO -0.00 0.17 1.16 -0.22 0.41 0.00 0.00 173.24 174.76 1rgg s LEU 91 N -0.71 4.42 -0.07 2.44 2.96 -0.43 -0.72 118.68 126.58 1rgg s LEU 91 Ca 0.06 2.07 -0.25 0.00 -0.22 0.00 0.00 54.13 55.79 1rgg s LEU 91 Cb -0.07 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 1rgg s LEU 91 CO 0.00 -0.36 0.78 -0.63 -1.32 0.00 0.00 176.35 174.83 1rgg s ILE 92 N 0.40 4.98 -0.40 6.68 1.01 -0.10 -0.76 121.20 133.02 1rgg s ILE 92 Ca 0.54 1.61 -0.13 0.00 0.00 0.00 0.00 60.65 62.67 1rgg s ILE 92 Cb -0.30 -4.12 0.03 0.00 0.01 0.00 0.00 42.46 38.08 1rgg s ILE 92 CO 0.33 0.20 0.27 -0.62 0.00 0.00 0.00 174.94 175.11 1rgg s ASP 93 N 0.90 5.96 0.00 3.58 -1.08 0.13 -4.78 116.67 121.38 1rgg s ASP 93 Ca 0.41 -0.97 0.31 0.00 -0.52 0.00 0.00 52.55 51.78 1rgg s ASP 93 Cb -0.18 -2.11 1.71 0.00 -1.46 0.00 0.00 42.92 40.88 1rgg s ASP 93 CO 0.20 -0.44 2.13 0.00 0.52 0.00 0.00 175.17 177.58 1rgg n GLN 94 N 5.09 0.74 0.00 4.34 6.02 -1.26 -1.15 117.38 131.16 1rgg n GLN 94 Ca -0.11 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.00 1rgg n GLN 94 Cb 0.46 -1.50 0.26 0.00 1.02 0.00 0.00 30.24 30.48 1rgg n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1rgg n THR 95 N -1.12 0.00 -0.95 5.09 -2.24 -1.26 -4.88 114.28 108.92 1rgg n THR 95 Ca 0.19 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1rgg n THR 95 Cb 0.16 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1rgg n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50