#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rhl h ASP 3 N 3.86 0.07 -3.49 0.00 3.32 -1.42 -3.45 116.42 115.31 1rhl h ASP 3 Ca -0.49 -0.08 -0.33 0.00 0.02 0.00 0.00 57.03 56.14 1rhl h ASP 3 Cb 1.20 -0.02 -0.34 0.00 0.22 0.00 0.00 39.33 40.39 1rhl h ASP 3 CO 0.65 1.07 -0.74 -0.31 -1.72 0.00 0.00 179.24 178.18 1rhl s TYR 4 N -2.67 0.24 -0.22 4.55 2.02 -0.52 -4.95 117.35 115.81 1rhl s TYR 4 Ca -0.02 0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.74 1rhl s TYR 4 Cb 0.09 -0.37 0.04 0.00 -0.40 0.00 0.00 41.96 41.32 1rhl s TYR 4 CO 0.83 -0.12 -0.13 0.99 -1.57 0.00 0.00 175.55 175.54 1rhl s THR 5 N 1.08 1.95 -0.53 -0.71 2.01 -1.26 -0.38 115.64 117.80 1rhl s THR 5 Ca -0.09 -1.24 -0.03 0.00 0.31 0.00 0.00 61.69 60.64 1rhl s THR 5 Cb -0.13 -1.97 0.14 0.00 0.01 0.00 0.00 72.50 70.54 1rhl s THR 5 CO -0.02 0.18 0.34 0.00 -0.69 0.00 0.00 174.62 174.43 1rhl n GLY 7 N 3.98 2.22 0.07 0.00 0.00 -1.26 -1.37 105.19 108.83 1rhl n GLY 7 Ca 0.03 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.18 1rhl n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rhl n SER 8 N 10.33 1.14 -4.72 1.61 7.64 -1.26 -4.94 113.62 123.41 1rhl n SER 8 Ca 0.00 -1.07 -0.41 0.00 1.01 0.00 0.00 58.87 58.40 1rhl n SER 8 Cb 0.00 0.93 -0.04 0.00 -1.01 0.00 0.00 64.21 64.09 1rhl n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1rhl s ASN 9 N -2.93 7.32 -0.23 6.43 0.01 -0.47 -5.05 114.94 120.03 1rhl s ASN 9 Ca 0.09 1.59 -0.04 0.00 -0.71 0.00 0.00 52.86 53.80 1rhl s ASN 9 Cb 0.16 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.28 1rhl s ASN 9 CO 0.83 -0.14 -0.03 0.00 -1.51 0.00 0.00 177.10 176.25 1rhl s TYR 11 N 1.48 2.25 0.41 0.00 2.02 0.49 -5.01 117.35 118.98 1rhl s TYR 11 Ca 0.05 -0.40 0.08 0.00 -0.37 0.00 0.00 57.07 56.43 1rhl s TYR 11 Cb -0.15 -1.30 -0.01 0.00 -0.40 0.00 0.00 41.96 40.11 1rhl s TYR 11 CO -0.03 0.20 0.43 -1.54 -1.57 0.00 0.00 175.55 173.04 1rhl s SER 12 N -1.55 5.27 0.34 2.29 1.04 -1.26 -1.01 113.70 118.83 1rhl s SER 12 Ca 0.12 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 55.95 1rhl s SER 12 Cb -0.10 -0.65 0.60 0.00 0.10 0.00 0.00 66.02 65.97 1rhl s SER 12 CO 0.03 -0.66 1.99 0.28 0.98 0.00 0.00 173.24 175.87 1rhl h SER 13 N 0.93 0.76 -0.19 7.02 0.02 -1.98 -2.20 113.55 117.90 1rhl h SER 13 Ca -0.41 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.43 1rhl h SER 13 Cb 1.27 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 1rhl h SER 13 CO 0.54 0.56 -0.11 0.77 -1.14 0.00 0.00 176.83 177.44 1rhl h SER 14 N 0.89 0.55 -0.44 3.07 4.64 -1.99 0.03 113.55 120.30 1rhl h SER 14 Ca 0.24 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 1rhl h SER 14 Cb -0.08 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 1rhl h SER 14 CO -0.05 0.70 0.20 0.44 -0.87 0.00 0.00 176.83 177.25 1rhl h ASP 15 N 0.52 0.58 -0.26 4.97 3.32 -1.80 -1.93 116.42 121.83 1rhl h ASP 15 Ca 0.10 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1rhl h ASP 15 Cb 0.51 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1rhl h ASP 15 CO 0.03 0.55 0.01 0.58 -1.72 0.00 0.00 179.24 178.69 1rhl h VAL 16 N 0.56 1.25 -0.89 -1.35 2.07 -1.12 -2.46 116.25 114.31 1rhl h VAL 16 Ca 0.15 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1rhl h VAL 16 Cb 0.13 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1rhl h VAL 16 CO -0.02 0.28 0.49 0.28 0.02 0.00 0.00 177.57 178.62 1rhl h SER 17 N 0.23 1.11 -0.17 0.57 0.02 -0.92 -0.25 113.55 114.14 1rhl h SER 17 Ca 0.07 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1rhl h SER 17 Cb 0.39 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1rhl h SER 17 CO 0.01 0.88 0.03 0.74 -1.14 0.00 0.00 176.83 177.35 1rhl h THR 18 N 1.24 1.22 -0.21 -2.27 2.02 -1.32 -0.77 112.91 112.82 1rhl h THR 18 Ca 0.31 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 1rhl h THR 18 Cb 0.02 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1rhl h THR 18 CO -0.05 0.21 0.12 0.00 0.37 0.00 0.00 175.52 176.17 1rhl h ALA 19 N 0.83 0.27 -0.72 6.16 0.00 -1.26 -2.69 119.26 121.84 1rhl h ALA 19 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rhl h ALA 19 Cb 0.29 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1rhl h ALA 19 CO 0.00 -0.22 0.46 0.37 0.00 0.00 0.00 179.25 179.86 1rhl h GLN 20 N 0.24 0.96 -0.80 0.00 4.15 -1.00 -2.09 115.11 116.58 1rhl h GLN 20 Ca 0.07 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.44 1rhl h GLN 20 Cb 0.04 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 27.48 1rhl h GLN 20 CO -0.01 0.66 0.52 0.00 -1.93 0.00 0.00 178.83 178.07 1rhl h ALA 21 N 1.25 1.02 -0.45 3.38 0.00 -0.99 0.35 119.26 123.82 1rhl h ALA 21 Ca 0.26 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1rhl h ALA 21 Cb -0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1rhl h ALA 21 CO -0.05 0.39 -0.07 0.00 0.00 0.00 0.00 179.25 179.52 1rhl h ALA 22 N 1.31 0.62 -0.48 0.00 0.00 -1.21 -2.62 119.26 116.88 1rhl h ALA 22 Ca 0.30 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1rhl h ALA 22 Cb -0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1rhl h ALA 22 CO -0.08 0.48 0.07 0.00 0.00 0.00 0.00 179.25 179.72 1rhl h ALA 23 N 0.88 0.63 -0.52 0.00 0.00 -0.93 -2.62 119.26 116.70 1rhl h ALA 23 Ca 0.12 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1rhl h ALA 23 Cb 0.60 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1rhl h ALA 23 CO 0.04 0.37 0.02 -0.92 0.00 0.00 0.00 179.25 178.75 1rhl h TYR 24 N 0.66 0.92 -0.12 0.00 3.20 -0.93 -0.32 116.97 120.38 1rhl h TYR 24 Ca 0.14 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1rhl h TYR 24 Cb 0.40 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1rhl h TYR 24 CO 0.03 0.83 0.07 -0.22 -1.64 0.00 0.00 178.16 177.23 1rhl h LYS 25 N 0.81 0.17 -0.75 1.82 1.63 -1.34 0.76 116.57 119.65 1rhl h LYS 25 Ca 0.16 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1rhl h LYS 25 Cb 0.46 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.02 1rhl h LYS 25 CO 0.02 0.16 0.48 -0.07 -3.45 0.00 0.00 179.45 176.60 1rhl h LEU 26 N 0.12 0.88 -0.17 5.20 3.38 -1.19 -1.40 115.31 122.13 1rhl h LEU 26 Ca 0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1rhl h LEU 26 Cb 0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1rhl h LEU 26 CO -0.01 0.65 0.04 -0.74 0.09 0.00 0.00 178.44 178.47 1rhl h HIS 27 N 1.03 0.27 -0.24 1.13 2.76 -0.49 -1.10 115.15 118.52 1rhl h HIS 27 Ca 0.27 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.39 1rhl h HIS 27 Cb -0.09 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 1rhl h HIS 27 CO 0.00 0.39 0.03 0.93 -1.30 0.00 0.00 177.93 177.99 1rhl h GLU 28 N 0.08 0.34 -0.00 5.26 3.07 -0.37 -2.55 114.58 120.41 1rhl h GLU 28 Ca 0.05 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1rhl h GLU 28 Cb 0.25 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1rhl h GLU 28 CO -0.00 0.34 -0.27 -0.25 -1.40 0.00 0.00 179.01 177.43 1rhl n ASP 29 N -4.38 0.34 -1.58 1.42 8.00 -0.57 -4.95 116.55 114.83 1rhl n ASP 29 Ca 0.00 -0.04 -0.10 0.00 0.71 0.00 0.00 54.79 55.37 1rhl n ASP 29 Cb 0.17 -0.06 0.02 0.00 -0.02 0.00 0.00 41.12 41.24 1rhl n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rhl n GLY 30 N 1.47 0.19 3.42 0.44 0.00 -0.72 -5.04 105.19 104.95 1rhl n GLY 30 Ca 0.07 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 1rhl n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rhl s GLU 31 N -5.19 1.51 0.21 1.61 2.02 -0.50 -5.05 118.70 113.31 1rhl s GLU 31 Ca 0.17 -1.54 0.05 0.00 0.02 0.00 0.00 54.97 53.67 1rhl s GLU 31 Cb -0.07 -1.78 -0.05 0.00 0.10 0.00 0.00 34.13 32.32 1rhl s GLU 31 CO 0.21 0.38 -0.07 0.95 0.02 0.00 0.00 175.26 176.75 1rhl s THR 32 N -1.79 1.31 -0.01 3.63 -4.23 -1.26 -4.42 115.64 108.87 1rhl s THR 32 Ca 0.21 -2.09 0.02 0.00 -1.18 0.00 0.00 61.69 58.65 1rhl s THR 32 Cb -0.07 -2.17 -0.00 0.00 1.34 0.00 0.00 72.50 71.59 1rhl s THR 32 CO 0.10 -0.48 -0.06 -0.69 -0.54 0.00 0.00 174.62 172.94 1rhl s VAL 33 N -3.24 0.52 0.00 2.29 1.01 0.17 -4.89 120.40 116.26 1rhl s VAL 33 Ca 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1rhl s VAL 33 Cb 0.03 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1rhl s VAL 33 CO 0.07 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1rhl n GLY 34 N 3.09 -1.02 0.26 4.51 0.00 -1.26 -1.04 105.19 109.73 1rhl n GLY 34 Ca -0.15 -1.64 0.14 0.00 0.00 0.00 0.00 46.02 44.37 1rhl n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rhl h SER 35 N 0.00 0.00 -0.18 1.61 4.64 -1.98 -2.49 113.55 115.15 1rhl h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rhl h SER 35 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rhl h SER 35 CO 0.00 0.11 0.00 0.59 -0.87 0.00 0.00 176.83 176.66 1rhl n ASN 36 N -3.30 2.15 -3.27 4.97 3.02 -1.26 -4.99 115.26 112.58 1rhl n ASN 36 Ca -0.00 -1.77 -0.10 0.00 -0.03 0.00 0.00 54.58 52.68 1rhl n ASN 36 Cb 0.33 -0.11 0.02 0.00 -0.61 0.00 0.00 39.78 39.42 1rhl n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1rhl n SER 37 N 0.65 -6.88 -4.84 6.41 7.64 -0.94 -4.87 113.62 110.78 1rhl n SER 37 Ca 0.17 -0.45 -0.36 0.00 1.01 0.00 0.00 58.87 59.25 1rhl n SER 37 Cb 0.42 -4.63 -0.06 0.00 -1.01 0.00 0.00 64.21 58.93 1rhl n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1rhl s TYR 38 N -3.15 3.63 0.33 1.43 2.02 -0.21 -3.58 117.35 117.83 1rhl s TYR 38 Ca 0.17 1.02 -0.19 0.00 -0.37 0.00 0.00 57.07 57.70 1rhl s TYR 38 Cb -0.04 -2.33 -0.10 0.00 -0.40 0.00 0.00 41.96 39.10 1rhl s TYR 38 CO 0.78 0.49 0.82 -1.25 -1.57 0.00 0.00 175.55 174.81 1rhl s PRO 39 N -1.77 4.19 0.24 -1.71 0.04 -1.26 0.41 135.00 135.14 1rhl s PRO 39 Ca 0.34 0.92 0.02 0.00 0.04 0.00 0.00 61.00 62.32 1rhl s PRO 39 Cb -0.15 -2.50 -0.05 0.00 0.04 0.00 0.00 34.50 31.84 1rhl s PRO 39 CO 0.18 0.17 0.05 -3.38 0.04 0.00 0.00 177.00 174.07 1rhl s HIS 40 N -1.90 1.52 0.34 0.56 -3.43 -1.14 -4.94 115.29 106.31 1rhl s HIS 40 Ca 0.54 -1.08 -0.29 0.00 -0.80 0.00 0.00 55.06 53.43 1rhl s HIS 40 Cb -0.12 -0.90 -0.11 0.00 -1.43 0.00 0.00 32.58 30.02 1rhl s HIS 40 CO 0.18 -0.22 1.42 -1.59 -2.00 0.00 0.00 174.74 172.52 1rhl s LYS 41 N -3.96 4.22 -0.31 -0.38 0.00 -1.26 -0.82 119.74 117.22 1rhl s LYS 41 Ca 0.33 2.40 -0.09 0.00 0.00 0.00 0.00 55.97 58.62 1rhl s LYS 41 Cb 0.07 -3.03 0.00 0.00 0.00 0.00 0.00 37.83 34.88 1rhl s LYS 41 CO 0.11 -0.39 0.13 -0.47 0.00 0.00 0.00 175.35 174.73 1rhl s TYR 42 N -0.96 3.17 -0.71 1.78 5.04 0.20 -4.72 117.35 121.15 1rhl s TYR 42 Ca 0.52 -0.76 0.23 0.00 -2.44 0.00 0.00 57.07 54.63 1rhl s TYR 42 Cb -0.43 -2.32 0.90 0.00 0.35 0.00 0.00 41.96 40.46 1rhl s TYR 42 CO 0.56 -0.52 1.72 0.09 -1.34 0.00 0.00 175.55 176.06 1rhl n ASN 43 N 4.94 0.51 -3.55 4.32 5.03 -1.26 -4.28 115.26 120.97 1rhl n ASN 43 Ca -0.14 0.59 -0.20 0.00 0.87 0.00 0.00 54.58 55.70 1rhl n ASN 43 Cb 0.48 -0.71 0.07 0.00 -1.02 0.00 0.00 39.78 38.60 1rhl n ASN 43 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1rhl n ASN 44 N -2.02 -2.67 0.22 6.41 5.15 -1.26 -4.88 115.26 116.21 1rhl n ASN 44 Ca 0.04 -0.66 0.06 0.00 -0.60 0.00 0.00 54.58 53.41 1rhl n ASN 44 Cb 0.29 -4.79 0.51 0.00 -0.53 0.00 0.00 39.78 35.26 1rhl n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1rhl h TYR 45 N -2.03 0.00 0.00 1.20 0.05 -2.00 -1.80 116.97 112.38 1rhl h TYR 45 Ca -0.59 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.17 1rhl h TYR 45 Cb 1.35 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.09 1rhl h TYR 45 CO 0.46 0.21 -0.08 0.93 -1.05 0.00 0.00 178.16 178.63 1rhl h GLU 46 N 0.00 0.00 -2.08 4.88 3.07 -1.94 -3.47 114.58 115.04 1rhl h GLU 46 Ca -0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.73 1rhl h GLU 46 Cb 0.38 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.32 1rhl h GLU 46 CO 0.03 0.08 -0.21 0.41 -1.40 0.00 0.00 179.01 177.92 1rhl n GLY 47 N -0.50 0.36 3.77 -3.84 0.00 -0.68 -5.00 105.19 99.29 1rhl n GLY 47 Ca -0.01 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 1rhl n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rhl s PHE 48 N -2.87 2.81 -1.06 1.61 0.08 -1.26 -4.94 117.98 112.35 1rhl s PHE 48 Ca 0.13 1.43 -0.15 0.00 0.12 0.00 0.00 56.93 58.47 1rhl s PHE 48 Cb -0.06 -3.62 0.17 0.00 -0.57 0.00 0.00 43.02 38.94 1rhl s PHE 48 CO 0.16 -2.02 1.22 0.34 -0.10 0.00 0.00 175.22 174.82 1rhl s ASP 49 N -0.86 6.91 0.36 1.36 -1.08 -1.26 -5.01 116.67 117.08 1rhl s ASP 49 Ca 0.59 -2.69 -0.24 0.00 -0.52 0.00 0.00 52.55 49.69 1rhl s ASP 49 Cb -0.36 -2.36 -0.10 0.00 -1.46 0.00 0.00 42.92 38.64 1rhl s ASP 49 CO 0.46 -0.79 0.93 -0.36 0.52 0.00 0.00 175.17 175.94 1rhl s PHE 50 N 1.50 3.54 0.21 -5.34 0.08 -1.26 -4.98 117.98 111.73 1rhl s PHE 50 Ca 0.35 1.69 0.12 0.00 0.12 0.00 0.00 56.93 59.21 1rhl s PHE 50 Cb -0.05 -2.88 0.31 0.00 -0.57 0.00 0.00 43.02 39.83 1rhl s PHE 50 CO -0.05 0.09 1.57 0.77 -0.10 0.00 0.00 175.22 177.50 1rhl h SER 51 N 2.69 0.00 -2.45 1.36 0.02 -1.92 -3.45 113.55 109.79 1rhl h SER 51 Ca -0.48 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.01 1rhl h SER 51 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 1rhl h SER 51 CO 0.63 0.63 -0.33 0.68 -1.14 0.00 0.00 176.83 177.30 1rhl s VAL 52 N -3.43 5.20 0.59 2.27 -7.23 -1.26 -5.10 120.40 111.43 1rhl s VAL 52 Ca -0.00 -0.76 -0.12 0.00 -1.81 0.00 0.00 61.98 59.28 1rhl s VAL 52 Cb 0.12 -3.86 -0.05 0.00 0.56 0.00 0.00 36.38 33.15 1rhl s VAL 52 CO 0.76 -0.42 1.01 -0.94 -0.31 0.00 0.00 175.10 175.20 1rhl s SER 53 N -3.98 6.33 0.79 4.85 1.04 -1.26 -5.05 113.70 116.42 1rhl s SER 53 Ca 0.36 1.44 -0.11 0.00 0.48 0.00 0.00 55.95 58.12 1rhl s SER 53 Cb -0.09 -2.47 0.07 0.00 0.10 0.00 0.00 66.02 63.62 1rhl s SER 53 CO 0.32 -0.79 1.09 -0.55 0.98 0.00 0.00 173.24 174.29 1rhl s SER 54 N -3.89 4.49 0.63 7.02 0.15 -1.26 -4.71 113.70 116.12 1rhl s SER 54 Ca 0.56 1.45 -0.11 0.00 0.70 0.00 0.00 55.95 58.54 1rhl s SER 54 Cb -0.11 -2.20 -0.03 0.00 -1.71 0.00 0.00 66.02 61.97 1rhl s SER 54 CO 0.48 -1.99 1.03 -2.16 1.20 0.00 0.00 173.24 171.80 1rhl s PRO 55 N -5.07 3.49 0.13 5.44 0.04 -1.26 -4.86 135.00 132.91 1rhl s PRO 55 Ca 0.61 0.81 0.07 0.00 0.04 0.00 0.00 61.00 62.53 1rhl s PRO 55 Cb -0.15 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1rhl s PRO 55 CO 0.55 -0.66 -0.07 0.71 0.04 0.00 0.00 177.00 177.57 1rhl s TYR 56 N -3.11 2.77 0.06 0.56 2.02 -1.26 -3.50 117.35 114.89 1rhl s TYR 56 Ca 0.56 -0.15 0.04 0.00 -0.37 0.00 0.00 57.07 57.15 1rhl s TYR 56 Cb -0.12 -1.41 -0.03 0.00 -0.40 0.00 0.00 41.96 40.00 1rhl s TYR 56 CO 0.53 0.46 -0.12 0.71 -1.57 0.00 0.00 175.55 175.56 1rhl s TYR 57 N -1.39 1.01 0.10 2.71 2.02 0.95 -0.63 117.35 122.12 1rhl s TYR 57 Ca 0.23 -0.48 0.10 0.00 -0.37 0.00 0.00 57.07 56.56 1rhl s TYR 57 Cb -0.10 -0.58 -0.04 0.00 -0.40 0.00 0.00 41.96 40.84 1rhl s TYR 57 CO 0.15 0.00 -0.26 -1.83 -1.57 0.00 0.00 175.55 172.04 1rhl s GLU 58 N -1.69 1.53 -0.07 -0.62 -1.05 -0.00 -1.03 118.70 115.77 1rhl s GLU 58 Ca -0.05 -1.25 -0.06 0.00 -0.15 0.00 0.00 54.97 53.46 1rhl s GLU 58 Cb -0.10 -1.90 0.02 0.00 -0.44 0.00 0.00 34.13 31.71 1rhl s GLU 58 CO 0.02 0.46 0.18 -0.46 0.95 0.00 0.00 175.26 176.41 1rhl s TRP 59 N -0.97 -0.19 0.24 4.83 -0.11 -0.58 -2.87 118.94 119.29 1rhl s TRP 59 Ca 0.13 0.47 -0.30 0.00 1.22 0.00 0.00 56.10 57.62 1rhl s TRP 59 Cb -0.10 0.06 -0.09 0.00 -1.50 0.00 0.00 33.47 31.85 1rhl s TRP 59 CO 0.04 -0.10 1.15 -2.14 -4.62 0.00 0.00 176.95 171.28 1rhl s PRO 60 N 0.04 4.56 -0.15 5.86 0.02 -1.26 0.05 135.00 144.12 1rhl s PRO 60 Ca -0.01 1.85 -0.00 0.00 0.02 0.00 0.00 61.00 62.86 1rhl s PRO 60 Cb -0.02 -3.21 -0.01 0.00 0.02 0.00 0.00 34.50 31.29 1rhl s PRO 60 CO 0.00 0.06 -0.13 -1.50 -0.33 0.00 0.00 177.00 175.10 1rhl s ILE 61 N -0.64 2.89 -0.06 2.83 2.07 -0.86 -4.49 121.20 122.94 1rhl s ILE 61 Ca 0.48 -0.70 -0.03 0.00 -1.41 0.00 0.00 60.65 58.99 1rhl s ILE 61 Cb -0.32 -2.23 -0.04 0.00 0.13 0.00 0.00 42.46 40.00 1rhl s ILE 61 CO 0.39 0.51 0.11 -0.76 -1.91 0.00 0.00 174.94 173.28 1rhl s LEU 62 N 0.66 4.11 0.25 8.50 1.43 -1.26 -4.46 118.68 127.91 1rhl s LEU 62 Ca -0.07 0.29 0.23 0.00 -1.03 0.00 0.00 54.13 53.55 1rhl s LEU 62 Cb -0.15 -2.20 0.98 0.00 0.03 0.00 0.00 46.19 44.84 1rhl s LEU 62 CO 0.02 0.33 1.69 -1.54 0.23 0.00 0.00 176.35 177.08 1rhl n SER 63 N 1.55 0.62 0.21 2.29 3.41 -1.26 -2.24 113.62 118.20 1rhl n SER 63 Ca -0.16 0.67 0.10 0.00 -0.26 0.00 0.00 58.87 59.22 1rhl n SER 63 Cb 0.54 -0.79 0.38 0.00 -0.26 0.00 0.00 64.21 64.07 1rhl n SER 63 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1rhl h SER 64 N 0.00 0.00 0.00 4.04 4.64 -2.00 -3.47 113.55 116.76 1rhl h SER 64 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rhl h SER 64 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1rhl h SER 64 CO 0.00 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 1rhl n GLY 65 N 0.42 0.71 3.87 -0.77 0.00 -0.95 -5.07 105.19 103.40 1rhl n GLY 65 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1rhl n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rhl s ASP 66 N -1.91 6.35 0.07 1.61 1.01 -1.26 -5.02 116.67 117.52 1rhl s ASP 66 Ca 0.00 1.29 -0.24 0.00 0.71 0.00 0.00 52.55 54.31 1rhl s ASP 66 Cb 0.00 -2.40 -0.06 0.00 1.01 0.00 0.00 42.92 41.46 1rhl s ASP 66 CO 0.00 -0.68 0.73 -0.69 0.21 0.00 0.00 175.17 174.74 1rhl s VAL 67 N -2.86 4.66 0.21 -1.27 1.01 -1.26 -4.33 120.40 116.56 1rhl s VAL 67 Ca 0.53 1.56 -0.32 0.00 0.00 0.00 0.00 61.98 63.75 1rhl s VAL 67 Cb -0.11 -4.08 -0.14 0.00 0.00 0.00 0.00 36.38 32.06 1rhl s VAL 67 CO 0.44 0.43 1.40 0.00 0.00 0.00 0.00 175.10 177.38 1rhl n TYR 68 N 2.36 2.05 -1.81 5.22 9.36 -1.26 -4.91 117.16 128.17 1rhl n TYR 68 Ca -0.05 0.44 0.00 0.00 3.32 0.00 0.00 57.90 61.62 1rhl n TYR 68 Cb 0.50 -2.45 0.00 0.00 -0.63 0.00 0.00 39.34 36.77 1rhl n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1rhl n SER 69 N 2.35 0.09 0.00 2.98 3.41 -1.26 -5.07 113.62 116.11 1rhl n SER 69 Ca 0.13 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 1rhl n SER 69 Cb 0.30 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1rhl n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rhl n GLY 70 N -0.05 3.10 3.66 5.00 0.00 -1.26 -4.70 105.19 110.94 1rhl n GLY 70 Ca 0.01 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1rhl n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rhl n GLY 71 N -1.09 -1.80 3.70 -0.02 0.00 -1.26 -4.88 105.19 99.84 1rhl n GLY 71 Ca 0.00 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 1rhl n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rhl s SER 72 N -4.00 6.42 0.00 1.61 0.15 -1.26 -4.85 113.70 111.77 1rhl s SER 72 Ca 0.00 2.77 0.29 0.00 0.70 0.00 0.00 55.95 59.72 1rhl s SER 72 Cb 0.00 -2.57 1.34 0.00 -1.71 0.00 0.00 66.02 63.08 1rhl s SER 72 CO 0.00 -1.00 1.96 -0.81 1.20 0.00 0.00 173.24 174.59 1rhl n PRO 73 N 5.45 0.26 0.00 5.44 -0.04 -1.26 -5.05 135.00 139.80 1rhl n PRO 73 Ca 0.17 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1rhl n PRO 73 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1rhl n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rhl n GLY 74 N 1.38 -1.27 0.00 0.55 0.00 -1.26 -4.40 105.19 100.18 1rhl n GLY 74 Ca 0.11 -1.24 0.09 0.00 0.00 0.00 0.00 46.02 44.98 1rhl n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rhl n ALA 75 N 1.12 4.27 -2.75 4.61 0.00 -1.26 -5.00 120.51 121.50 1rhl n ALA 75 Ca 0.00 -0.52 -0.35 0.00 0.00 0.00 0.00 53.44 52.57 1rhl n ALA 75 Cb 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 1rhl n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rhl s ASP 76 N -2.88 6.51 0.02 0.00 1.01 -1.26 -1.20 116.67 118.87 1rhl s ASP 76 Ca 0.06 0.58 0.00 0.00 0.71 0.00 0.00 52.55 53.90 1rhl s ASP 76 Cb 0.14 -2.10 -0.02 0.00 1.01 0.00 0.00 42.92 41.95 1rhl s ASP 76 CO 0.76 0.26 -0.03 -0.13 0.21 0.00 0.00 175.17 176.24 1rhl s ARG 77 N -1.69 0.35 -0.14 8.23 1.81 -0.18 -2.02 118.95 125.31 1rhl s ARG 77 Ca 0.27 -0.67 -0.03 0.00 -1.72 0.00 0.00 55.73 53.57 1rhl s ARG 77 Cb -0.13 0.08 -0.03 0.00 -0.45 0.00 0.00 34.95 34.42 1rhl s ARG 77 CO 0.15 -0.05 -0.02 0.08 -0.68 0.00 0.00 175.30 174.79 1rhl s VAL 78 N -1.64 4.09 -0.18 3.52 1.01 0.11 -1.57 120.40 125.74 1rhl s VAL 78 Ca -0.14 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 1rhl s VAL 78 Cb -0.09 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1rhl s VAL 78 CO -0.02 0.52 -0.04 -0.69 0.00 0.00 0.00 175.10 174.88 1rhl s VAL 79 N 0.01 3.72 0.19 2.92 1.01 0.19 -1.53 120.40 126.92 1rhl s VAL 79 Ca 0.02 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1rhl s VAL 79 Cb -0.13 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 1rhl s VAL 79 CO 0.02 0.46 0.03 0.72 0.00 0.00 0.00 175.10 176.34 1rhl s PHE 80 N 0.77 1.28 0.09 5.22 -0.71 -0.20 -0.09 117.98 124.33 1rhl s PHE 80 Ca -0.01 -1.08 0.01 0.00 -1.04 0.00 0.00 56.93 54.80 1rhl s PHE 80 Cb -0.14 -0.73 0.01 0.00 -1.21 0.00 0.00 43.02 40.94 1rhl s PHE 80 CO 0.02 -0.27 0.05 0.27 -1.34 0.00 0.00 175.22 173.95 1rhl n ASN 81 N -0.29 1.49 0.11 1.98 0.23 -0.60 -0.03 115.26 118.14 1rhl n ASN 81 Ca -0.05 -1.33 0.08 0.00 -0.53 0.00 0.00 54.58 52.76 1rhl n ASN 81 Cb 0.64 0.01 0.56 0.00 -2.08 0.00 0.00 39.78 38.91 1rhl n ASN 81 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1rhl h GLU 82 N 0.00 0.22 -0.66 -3.83 4.57 -1.84 -1.72 114.58 111.32 1rhl h GLU 82 Ca -0.06 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1rhl h GLU 82 Cb 0.21 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1rhl h GLU 82 CO 0.10 0.15 0.00 0.09 -1.18 0.00 0.00 179.01 178.16 1rhl n ASN 83 N -4.49 3.44 -3.68 1.04 3.02 -1.26 -4.90 115.26 108.43 1rhl n ASN 83 Ca 0.02 -2.40 -0.25 0.00 -0.03 0.00 0.00 54.58 51.92 1rhl n ASN 83 Cb 0.17 -0.52 0.06 0.00 -0.61 0.00 0.00 39.78 38.88 1rhl n ASN 83 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1rhl n ASN 84 N 0.51 -5.06 -4.69 6.41 4.05 -0.65 -4.99 115.26 110.83 1rhl n ASN 84 Ca 0.16 -0.64 -0.35 0.00 0.45 0.00 0.00 54.58 54.20 1rhl n ASN 84 Cb 0.69 -4.64 -0.09 0.00 1.23 0.00 0.00 39.78 36.98 1rhl n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1rhl s GLN 85 N -6.28 3.36 -0.08 1.20 -0.21 -1.26 -4.89 119.66 111.50 1rhl s GLN 85 Ca 0.50 -0.35 -0.30 0.00 0.02 0.00 0.00 55.36 55.24 1rhl s GLN 85 Cb -0.23 -2.98 -0.04 0.00 1.00 0.00 0.00 33.01 30.76 1rhl s GLN 85 CO 0.77 0.58 1.34 -1.17 -2.12 0.00 0.00 175.29 174.69 1rhl s LEU 86 N -0.52 4.26 -0.14 2.90 2.96 -1.26 -1.56 118.68 125.32 1rhl s LEU 86 Ca 0.10 1.92 -0.14 0.00 -0.22 0.00 0.00 54.13 55.79 1rhl s LEU 86 Cb -0.12 -3.55 -0.24 0.00 0.50 0.00 0.00 46.19 42.78 1rhl s LEU 86 CO 0.02 -0.73 0.37 0.00 -1.32 0.00 0.00 176.35 174.69 1rhl h ALA 87 N 8.12 0.32 0.00 5.97 0.00 -0.83 -3.45 119.26 129.38 1rhl h ALA 87 Ca -0.33 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.31 1rhl h ALA 87 Cb 1.15 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1rhl h ALA 87 CO 0.93 1.01 0.00 0.41 0.00 0.00 0.00 179.25 181.60 1rhl n GLY 88 N 1.76 -1.62 2.97 0.00 0.00 -1.02 -4.66 105.19 102.63 1rhl n GLY 88 Ca -0.30 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.37 1rhl n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rhl s VAL 89 N -2.39 1.25 0.36 1.61 1.01 -1.26 -0.63 120.40 120.35 1rhl s VAL 89 Ca 0.00 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.59 1rhl s VAL 89 Cb 0.00 -1.20 -0.07 0.00 0.00 0.00 0.00 36.38 35.11 1rhl s VAL 89 CO 0.00 0.40 0.01 0.27 0.00 0.00 0.00 175.10 175.78 1rhl s ILE 90 N 1.42 1.69 -0.01 2.22 -4.36 -0.61 -1.05 121.20 120.50 1rhl s ILE 90 Ca 0.01 -2.04 -0.21 0.00 -0.26 0.00 0.00 60.65 58.15 1rhl s ILE 90 Cb -0.13 -2.82 0.04 0.00 1.25 0.00 0.00 42.46 40.80 1rhl s ILE 90 CO -0.07 -0.06 0.47 0.28 0.24 0.00 0.00 174.94 175.80 1rhl s THR 91 N -2.95 0.04 -0.49 8.37 -1.32 -0.22 -1.01 115.64 118.05 1rhl s THR 91 Ca 0.35 -0.29 0.24 0.00 -1.21 0.00 0.00 61.69 60.77 1rhl s THR 91 Cb 0.08 -0.83 0.30 0.00 -1.51 0.00 0.00 72.50 70.55 1rhl s THR 91 CO 0.16 -0.16 1.61 0.45 -2.21 0.00 0.00 174.62 174.47 1rhl h HIS 92 N 3.35 0.00 -2.60 9.09 3.86 -1.34 -1.56 115.15 125.94 1rhl h HIS 92 Ca -0.29 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.39 1rhl h HIS 92 Cb 1.17 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.67 1rhl h HIS 92 CO 0.44 0.00 1.06 0.99 0.86 0.00 0.00 177.93 181.28 1rhl s THR 93 N -3.20 2.71 -0.00 2.45 2.01 -1.26 -1.79 115.64 116.56 1rhl s THR 93 Ca 0.07 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.30 1rhl s THR 93 Cb 0.07 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.43 1rhl s THR 93 CO 0.66 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.20 1rhl n GLY 94 N 4.12 0.49 3.29 4.40 0.00 -1.26 -4.78 105.19 111.45 1rhl n GLY 94 Ca 0.17 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1rhl n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rhl s ALA 95 N -1.97 2.03 0.39 4.61 0.00 -0.74 -4.97 121.76 121.11 1rhl s ALA 95 Ca 0.00 -1.10 -0.25 0.00 0.00 0.00 0.00 51.96 50.61 1rhl s ALA 95 Cb 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 23.12 22.56 1rhl s ALA 95 CO 0.00 0.49 1.15 -1.54 0.00 0.00 0.00 175.76 175.86 1rhl s SER 96 N -0.82 6.58 1.57 0.00 1.04 -1.26 -4.73 113.70 116.08 1rhl s SER 96 Ca 0.10 2.30 0.00 0.00 0.48 0.00 0.00 55.95 58.83 1rhl s SER 96 Cb -0.09 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1rhl s SER 96 CO 0.00 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1rhl n GLY 97 N 0.62 3.39 1.91 7.32 0.00 -1.26 -1.83 105.19 115.34 1rhl n GLY 97 Ca 0.04 -0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.01 1rhl n GLY 97 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rhl n ASN 98 N 4.16 5.33 -4.53 1.61 0.23 -1.26 -4.98 115.26 115.82 1rhl n ASN 98 Ca 0.00 -3.06 -0.29 0.00 -0.53 0.00 0.00 54.58 50.70 1rhl n ASN 98 Cb 0.00 -0.71 0.14 0.00 -2.08 0.00 0.00 39.78 37.13 1rhl n ASN 98 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1rhl s ASN 99 N -0.94 3.84 0.12 0.53 0.01 -0.76 -5.03 114.94 112.71 1rhl s ASN 99 Ca 0.55 0.50 0.06 0.00 -0.71 0.00 0.00 52.86 53.25 1rhl s ASN 99 Cb 0.43 -0.78 -0.04 0.00 0.41 0.00 0.00 41.25 41.27 1rhl s ASN 99 CO 0.15 -2.29 -0.15 -0.36 -1.51 0.00 0.00 177.10 172.94 1rhl s PHE 100 N -3.71 1.42 0.06 2.20 0.08 -1.26 -4.30 117.98 112.46 1rhl s PHE 100 Ca 0.68 -0.54 0.02 0.00 0.12 0.00 0.00 56.93 57.21 1rhl s PHE 100 Cb -0.07 -0.75 -0.03 0.00 -0.57 0.00 0.00 43.02 41.60 1rhl s PHE 100 CO 0.51 0.15 -0.08 0.14 -0.10 0.00 0.00 175.22 175.84 1rhl s VAL 101 N -2.01 0.59 0.53 -0.44 -7.23 -0.59 -4.95 120.40 106.30 1rhl s VAL 101 Ca 0.08 -1.31 -0.18 0.00 -1.81 0.00 0.00 61.98 58.76 1rhl s VAL 101 Cb -0.06 -0.90 -0.06 0.00 0.56 0.00 0.00 36.38 35.92 1rhl s VAL 101 CO 0.03 -0.51 1.04 -1.61 -0.31 0.00 0.00 175.10 173.74 1rhl s GLU 102 N -2.19 3.61 0.15 4.82 2.02 -1.26 -1.06 118.70 124.79 1rhl s GLU 102 Ca -0.04 1.28 -0.25 0.00 0.02 0.00 0.00 54.97 55.98 1rhl s GLU 102 Cb -0.06 -2.07 -0.08 0.00 0.10 0.00 0.00 34.13 32.02 1rhl s GLU 102 CO -0.01 -0.58 0.78 0.00 0.02 0.00 0.00 175.26 175.47