#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rsn s VAL 2 N 0.00 4.61 -1.14 2.53 1.01 -1.26 -4.66 120.40 121.49 1rsn s VAL 2 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.74 1rsn s VAL 2 Cb 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1rsn s VAL 2 CO 0.00 0.37 0.47 -1.20 0.00 0.00 0.00 175.10 174.74 1rsn n SER 3 N 2.63 0.70 0.00 3.32 7.64 0.31 -4.97 113.62 123.24 1rsn n SER 3 Ca -0.02 -1.63 0.00 0.00 1.01 0.00 0.00 58.87 58.23 1rsn n SER 3 Cb 0.50 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1rsn n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rsn n GLY 4 N 0.12 -1.42 3.89 0.23 0.00 -1.26 -4.96 105.19 101.79 1rsn n GLY 4 Ca 0.00 -2.21 -0.27 0.00 0.00 0.00 0.00 46.02 43.54 1rsn n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rsn s THR 5 N -0.60 5.07 -0.02 2.61 -4.23 -1.26 -1.82 115.64 115.39 1rsn s THR 5 Ca 0.00 -0.73 0.03 0.00 -1.18 0.00 0.00 61.69 59.81 1rsn s THR 5 Cb 0.00 -3.57 -0.00 0.00 1.34 0.00 0.00 72.50 70.27 1rsn s THR 5 CO 0.00 -0.03 -0.09 0.54 -0.54 0.00 0.00 174.62 174.50 1rsn s VAL 6 N -1.67 0.73 0.31 2.29 0.11 0.92 -4.90 120.40 118.20 1rsn s VAL 6 Ca 0.33 -0.36 -0.29 0.00 -2.93 0.00 0.00 61.98 58.73 1rsn s VAL 6 Cb -0.11 -0.63 -0.10 0.00 -1.53 0.00 0.00 36.38 34.01 1rsn s VAL 6 CO 0.27 0.22 1.28 0.00 -3.33 0.00 0.00 175.10 173.53 1rsn h LEU 8 N 3.59 0.48 -2.08 0.00 5.85 -1.00 -1.65 115.31 120.49 1rsn h LEU 8 Ca -0.48 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1rsn h LEU 8 Cb 1.22 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 1rsn h LEU 8 CO 0.67 0.32 -0.04 0.77 -0.34 0.00 0.00 178.44 179.82 1rsn h SER 9 N 0.55 0.00 0.27 1.25 4.64 -1.77 -2.13 113.55 116.37 1rsn h SER 9 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1rsn h SER 9 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1rsn h SER 9 CO -0.06 0.04 -0.35 0.00 -0.87 0.00 0.00 176.83 175.59 1rsn n ALA 10 N -2.15 3.26 -2.20 5.18 0.00 -0.62 -4.94 120.51 119.05 1rsn n ALA 10 Ca -0.01 -0.41 -0.24 0.00 0.00 0.00 0.00 53.44 52.78 1rsn n ALA 10 Cb 0.21 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 18.59 1rsn n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rsn s LEU 11 N -2.62 3.46 0.62 0.00 1.43 -0.80 -5.02 118.68 115.74 1rsn s LEU 11 Ca 0.21 0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 53.47 1rsn s LEU 11 Cb 0.19 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.17 1rsn s LEU 11 CO 0.57 -0.89 1.08 -2.65 0.23 0.00 0.00 176.35 174.69 1rsn n PRO 12 N -2.27 0.96 0.20 1.29 -0.02 -1.26 -4.87 135.00 129.04 1rsn n PRO 12 Ca 0.03 0.38 0.10 0.00 -2.02 0.00 0.00 63.50 61.99 1rsn n PRO 12 Cb 0.58 -2.30 0.64 0.00 -0.02 0.00 0.00 33.50 32.41 1rsn n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1rsn h PRO 13 N 0.49 0.02 0.00 0.52 0.13 -1.95 -0.57 132.00 130.63 1rsn h PRO 13 Ca -0.49 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1rsn h PRO 13 Cb 1.36 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.48 1rsn h PRO 13 CO 0.51 0.01 -0.04 0.93 -0.23 0.00 0.00 178.00 179.18 1rsn h GLU 14 N 0.02 0.00 -0.91 0.86 3.07 -1.89 -1.82 114.58 113.91 1rsn h GLU 14 Ca 0.05 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.94 1rsn h GLU 14 Cb 0.18 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.03 1rsn h GLU 14 CO -0.00 0.04 0.59 0.00 -1.40 0.00 0.00 179.01 178.24 1rsn h ALA 15 N 1.96 1.20 -0.51 3.43 0.00 -1.44 -0.54 119.26 123.36 1rsn h ALA 15 Ca -0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1rsn h ALA 15 Cb 0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1rsn h ALA 15 CO 0.01 0.45 0.06 1.15 0.00 0.00 0.00 179.25 180.92 1rsn h THR 16 N 1.15 1.26 -0.35 0.00 2.02 -1.47 -1.63 112.91 113.88 1rsn h THR 16 Ca 0.36 -0.98 0.02 0.00 0.77 0.00 0.00 66.41 66.58 1rsn h THR 16 Cb 0.00 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1rsn h THR 16 CO -0.12 0.35 0.19 0.44 0.37 0.00 0.00 175.52 176.75 1rsn h ASP 17 N 0.74 0.30 -0.68 4.18 3.32 -1.37 -1.69 116.42 121.22 1rsn h ASP 17 Ca 0.15 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 1rsn h ASP 17 Cb 0.44 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1rsn h ASP 17 CO 0.01 0.22 0.15 0.74 -1.72 0.00 0.00 179.24 178.64 1rsn h THR 18 N 0.39 1.26 -0.86 0.35 2.02 -0.88 -1.11 112.91 114.08 1rsn h THR 18 Ca 0.14 -0.99 0.04 0.00 0.77 0.00 0.00 66.41 66.37 1rsn h THR 18 Cb 0.02 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 1rsn h THR 18 CO -0.08 0.38 0.55 -0.07 0.37 0.00 0.00 175.52 176.67 1rsn h LEU 19 N 1.04 0.90 -0.83 2.58 3.38 -0.96 0.27 115.31 121.70 1rsn h LEU 19 Ca 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1rsn h LEU 19 Cb 0.39 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1rsn h LEU 19 CO 0.01 0.61 0.47 0.78 0.09 0.00 0.00 178.44 180.40 1rsn h ASN 20 N 1.05 1.02 -0.49 -0.43 2.35 -1.03 -0.34 115.58 117.71 1rsn h ASN 20 Ca 0.35 -0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.92 1rsn h ASN 20 Cb 0.05 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 1rsn h ASN 20 CO -0.13 0.81 -0.07 -0.07 -1.65 0.00 0.00 177.43 176.31 1rsn h LEU 21 N 1.15 0.92 -0.79 1.61 3.38 -0.42 -2.48 115.31 118.67 1rsn h LEU 21 Ca 0.29 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1rsn h LEU 21 Cb 0.00 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 1rsn h LEU 21 CO -0.05 1.05 0.51 0.40 0.09 0.00 0.00 178.44 180.44 1rsn h ILE 22 N 0.78 1.14 -0.74 1.22 2.04 -0.03 -0.50 117.51 121.42 1rsn h ILE 22 Ca 0.13 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1rsn h ILE 22 Cb 0.62 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1rsn h ILE 22 CO 0.04 0.18 0.38 0.00 0.00 0.00 0.00 178.15 178.75 1rsn h ALA 23 N 1.33 1.27 -0.34 1.87 0.00 -0.76 -2.75 119.26 119.88 1rsn h ALA 23 Ca 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1rsn h ALA 23 Cb -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1rsn h ALA 23 CO -0.10 0.57 0.00 -1.13 0.00 0.00 0.00 179.25 178.59 1rsn n SER 24 N -4.34 2.66 -3.64 0.00 3.41 -0.96 -4.95 113.62 105.80 1rsn n SER 24 Ca 0.07 -1.90 -0.22 0.00 -0.26 0.00 0.00 58.87 56.57 1rsn n SER 24 Cb 0.12 -0.22 0.06 0.00 -0.26 0.00 0.00 64.21 63.90 1rsn n SER 24 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1rsn n ASP 25 N 0.97 -2.95 0.00 4.04 2.03 -0.71 -4.74 116.55 115.19 1rsn n ASP 25 Ca 0.18 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.78 1rsn n ASP 25 Cb 0.47 -4.52 0.00 0.00 -0.72 0.00 0.00 41.12 36.35 1rsn n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rsn n GLY 26 N -1.54 -0.19 3.78 0.27 0.00 -0.28 -4.83 105.19 102.41 1rsn n GLY 26 Ca -0.19 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 1rsn n GLY 26 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rsn s PRO 27 N 0.00 4.18 0.26 1.61 0.02 -1.26 -4.96 135.00 134.85 1rsn s PRO 27 Ca 0.00 2.47 -0.12 0.00 0.02 0.00 0.00 61.00 63.37 1rsn s PRO 27 Cb 0.00 -3.00 -0.08 0.00 0.02 0.00 0.00 34.50 31.44 1rsn s PRO 27 CO 0.00 -0.43 0.61 -0.06 -0.33 0.00 0.00 177.00 176.79 1rsn s PHE 28 N -1.11 3.41 0.21 6.54 0.08 -1.26 -5.02 117.98 120.83 1rsn s PHE 28 Ca 0.52 1.00 0.07 0.00 0.12 0.00 0.00 56.93 58.63 1rsn s PHE 28 Cb -0.45 -2.36 0.13 0.00 -0.57 0.00 0.00 43.02 39.78 1rsn s PHE 28 CO 0.60 0.21 1.48 -1.00 -0.10 0.00 0.00 175.22 176.41 1rsn h PRO 29 N 2.47 0.09 -6.37 0.24 0.13 -1.99 -3.45 132.00 123.12 1rsn h PRO 29 Ca -0.47 -0.08 -0.67 0.00 -0.87 0.00 0.00 66.00 63.91 1rsn h PRO 29 Cb 1.17 0.02 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 1rsn h PRO 29 CO 0.68 0.80 -0.70 0.71 -0.23 0.00 0.00 178.00 179.26 1rsn s TYR 30 N -3.35 2.87 -0.27 1.56 2.02 -1.26 -5.01 117.35 113.91 1rsn s TYR 30 Ca -0.02 -0.07 0.28 0.00 -0.37 0.00 0.00 57.07 56.89 1rsn s TYR 30 Cb 0.11 -1.55 1.09 0.00 -0.40 0.00 0.00 41.96 41.22 1rsn s TYR 30 CO 0.80 0.41 1.82 0.66 -1.57 0.00 0.00 175.55 177.67 1rsn h SER 31 N 4.05 0.00 0.12 2.29 4.64 -2.06 -1.85 113.55 120.74 1rsn h SER 31 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1rsn h SER 31 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1rsn h SER 31 CO 0.55 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 176.47 1rsn n GLN 32 N -2.61 1.07 -2.46 4.77 1.13 -1.26 -4.86 117.38 113.16 1rsn n GLN 32 Ca 0.02 -0.32 -0.41 0.00 -1.94 0.00 0.00 57.00 54.34 1rsn n GLN 32 Cb 0.29 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 29.11 1rsn n GLN 32 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1rsn s ASP 33 N -2.16 7.17 0.00 1.08 1.01 -0.70 -3.41 116.67 119.67 1rsn s ASP 33 Ca 0.39 2.10 0.00 0.00 0.71 0.00 0.00 52.55 55.75 1rsn s ASP 33 Cb 0.21 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.54 1rsn s ASP 33 CO 0.39 -0.33 0.00 0.61 0.21 0.00 0.00 175.17 176.05 1rsn n GLY 34 N 2.43 0.75 3.79 0.21 0.00 0.11 -5.01 105.19 107.47 1rsn n GLY 34 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1rsn n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rsn s VAL 35 N -2.37 3.64 0.32 1.61 -7.23 -1.22 -4.64 120.40 110.51 1rsn s VAL 35 Ca 0.00 0.69 -0.28 0.00 -1.81 0.00 0.00 61.98 60.58 1rsn s VAL 35 Cb 0.00 -3.25 -0.10 0.00 0.56 0.00 0.00 36.38 33.59 1rsn s VAL 35 CO 0.00 -0.54 1.19 -0.69 -0.31 0.00 0.00 175.10 174.75 1rsn s VAL 36 N -2.58 3.15 -0.26 1.32 1.01 -1.26 -0.62 120.40 121.15 1rsn s VAL 36 Ca 0.63 1.11 -0.15 0.00 0.00 0.00 0.00 61.98 63.57 1rsn s VAL 36 Cb -0.17 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1rsn s VAL 36 CO 0.44 0.23 0.38 0.12 0.00 0.00 0.00 175.10 176.27 1rsn s PHE 37 N -1.22 3.26 -0.07 5.22 5.36 -0.22 -4.74 117.98 125.57 1rsn s PHE 37 Ca 0.49 0.45 0.19 0.00 -0.96 0.00 0.00 56.93 57.09 1rsn s PHE 37 Cb -0.34 -2.58 0.40 0.00 -0.34 0.00 0.00 43.02 40.16 1rsn s PHE 37 CO 0.44 -0.21 1.60 1.96 -1.46 0.00 0.00 175.22 177.56 1rsn h GLN 38 N 8.07 0.00 -5.98 10.12 4.20 -1.95 -3.40 115.11 126.17 1rsn h GLN 38 Ca -0.32 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 57.98 1rsn h GLN 38 Cb 1.16 0.00 0.08 0.00 0.30 0.00 0.00 27.48 29.02 1rsn h GLN 38 CO 0.66 0.36 -0.75 -1.71 -0.67 0.00 0.00 178.83 176.71 1rsn n ASN 39 N -3.28 -4.06 0.25 1.46 5.15 -1.26 -4.86 115.26 108.66 1rsn n ASN 39 Ca 0.01 -0.68 0.12 0.00 -0.60 0.00 0.00 54.58 53.43 1rsn n ASN 39 Cb 0.60 -4.55 0.62 0.00 -0.53 0.00 0.00 39.78 35.92 1rsn n ASN 39 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1rsn h ARG 40 N -2.22 0.00 -0.22 1.20 0.11 -1.99 -0.58 114.38 110.68 1rsn h ARG 40 Ca -0.59 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.49 1rsn h ARG 40 Cb 1.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.44 1rsn h ARG 40 CO 0.58 0.17 0.00 0.39 0.10 0.00 0.00 179.97 181.21 1rsn n GLU 41 N -3.52 1.90 -2.90 0.08 4.71 -1.26 -4.94 120.64 114.71 1rsn n GLU 41 Ca -0.01 -1.36 -0.19 0.00 -0.01 0.00 0.00 57.16 55.59 1rsn n GLU 41 Cb 0.32 -1.41 0.00 0.00 -1.01 0.00 0.00 31.44 29.34 1rsn n GLU 41 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1rsn n SER 42 N 0.59 -4.25 -0.12 1.62 7.64 -0.23 -4.88 113.62 114.00 1rsn n SER 42 Ca 0.17 -0.12 -0.11 0.00 1.01 0.00 0.00 58.87 59.81 1rsn n SER 42 Cb 0.39 -3.54 0.01 0.00 -1.01 0.00 0.00 64.21 60.06 1rsn n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1rsn h VAL 43 N -0.61 1.27 -2.31 0.44 2.07 -1.92 -3.41 116.25 111.78 1rsn h VAL 43 Ca -0.39 -1.48 -0.45 0.00 0.82 0.00 0.00 66.70 65.20 1rsn h VAL 43 Cb 1.27 1.29 0.02 0.00 -1.52 0.00 0.00 31.29 32.36 1rsn h VAL 43 CO 0.46 0.50 -0.20 -0.76 0.02 0.00 0.00 177.57 177.59 1rsn s LEU 44 N -8.91 3.77 0.36 2.57 1.43 -1.26 -0.42 118.68 116.22 1rsn s LEU 44 Ca -0.11 0.06 -0.27 0.00 -1.03 0.00 0.00 54.13 52.79 1rsn s LEU 44 Cb 0.12 -2.97 -0.12 0.00 0.03 0.00 0.00 46.19 43.25 1rsn s LEU 44 CO 0.87 -0.61 1.13 -2.65 0.23 0.00 0.00 176.35 175.33 1rsn n PRO 45 N -1.90 1.68 -2.06 1.29 -0.02 -1.26 -4.90 135.00 127.83 1rsn n PRO 45 Ca 0.01 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.67 1rsn n PRO 45 Cb 0.58 -2.13 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 1rsn n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1rsn s THR 46 N -1.15 2.74 0.18 3.45 2.01 -1.26 -5.00 115.64 116.62 1rsn s THR 46 Ca 0.59 0.65 -0.08 0.00 0.31 0.00 0.00 61.69 63.16 1rsn s THR 46 Cb -0.59 -3.42 -0.01 0.00 0.01 0.00 0.00 72.50 68.49 1rsn s THR 46 CO 0.60 0.12 0.28 -1.10 -0.69 0.00 0.00 174.62 173.83 1rsn s GLN 47 N -0.77 1.23 0.64 4.92 -1.52 -1.26 -5.15 119.66 117.75 1rsn s GLN 47 Ca 0.56 -1.28 -0.17 0.00 -1.95 0.00 0.00 55.36 52.51 1rsn s GLN 47 Cb -0.41 0.37 -0.01 0.00 -0.22 0.00 0.00 33.01 32.74 1rsn s GLN 47 CO 0.46 -0.45 1.21 -1.12 -0.25 0.00 0.00 175.29 175.14 1rsn s SER 48 N -3.01 4.86 0.14 5.90 0.01 -1.26 -4.92 113.70 115.41 1rsn s SER 48 Ca 0.22 2.39 -0.34 0.00 1.31 0.00 0.00 55.95 59.53 1rsn s SER 48 Cb 0.03 -2.60 -0.14 0.00 0.21 0.00 0.00 66.02 63.52 1rsn s SER 48 CO 0.04 -1.82 1.53 0.00 0.41 0.00 0.00 173.24 173.40 1rsn n TYR 49 N -1.96 2.11 0.00 2.43 4.19 -1.26 -2.03 117.16 120.64 1rsn n TYR 49 Ca 0.14 0.35 0.00 0.00 3.31 0.00 0.00 57.90 61.69 1rsn n TYR 49 Cb 0.50 -2.50 0.00 0.00 0.49 0.00 0.00 39.34 37.83 1rsn n TYR 49 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1rsn n GLY 50 N 3.23 0.09 0.25 2.98 0.00 -1.26 -4.96 105.19 105.53 1rsn n GLY 50 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.19 1rsn n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1rsn h TYR 51 N 0.00 0.45 -3.55 1.61 5.03 -1.74 -3.44 116.97 115.33 1rsn h TYR 51 Ca 0.00 -0.06 -0.68 0.00 2.58 0.00 0.00 58.73 60.57 1rsn h TYR 51 Cb 0.00 -0.12 -0.19 0.00 1.55 0.00 0.00 36.73 37.96 1rsn h TYR 51 CO 0.00 0.54 -0.68 0.71 -1.32 0.00 0.00 178.16 177.41 1rsn s TYR 52 N -4.74 2.98 0.10 -3.82 2.02 -1.26 -3.34 117.35 109.29 1rsn s TYR 52 Ca -0.07 -0.02 0.05 0.00 -0.37 0.00 0.00 57.07 56.66 1rsn s TYR 52 Cb 0.15 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.91 1rsn s TYR 52 CO 0.76 0.28 -0.13 -1.01 -1.57 0.00 0.00 175.55 173.87 1rsn s HIS 53 N -0.59 1.29 0.10 2.71 3.76 -0.94 -1.06 115.29 120.56 1rsn s HIS 53 Ca 0.09 -0.54 0.09 0.00 -0.15 0.00 0.00 55.06 54.55 1rsn s HIS 53 Cb -0.12 -0.69 -0.03 0.00 1.11 0.00 0.00 32.58 32.84 1rsn s HIS 53 CO 0.02 0.10 -0.23 -1.83 -0.85 0.00 0.00 174.74 171.94 1rsn s GLU 54 N -2.42 1.31 0.00 1.40 -1.05 0.21 -0.83 118.70 117.32 1rsn s GLU 54 Ca 0.05 -1.17 0.03 0.00 -0.15 0.00 0.00 54.97 53.72 1rsn s GLU 54 Cb -0.06 -1.61 -0.01 0.00 -0.44 0.00 0.00 34.13 32.01 1rsn s GLU 54 CO 0.02 0.39 -0.08 0.71 0.95 0.00 0.00 175.26 177.25 1rsn s TYR 55 N -1.04 0.75 0.42 4.83 1.51 -0.30 0.07 117.35 123.59 1rsn s TYR 55 Ca 0.09 -0.19 -0.24 0.00 -1.01 0.00 0.00 57.07 55.72 1rsn s TYR 55 Cb -0.10 -0.47 -0.08 0.00 -0.11 0.00 0.00 41.96 41.20 1rsn s TYR 55 CO 0.04 -0.01 1.12 0.99 -1.11 0.00 0.00 175.55 176.58 1rsn s THR 56 N -0.36 3.36 -0.32 -0.71 2.01 -1.26 -1.15 115.64 117.20 1rsn s THR 56 Ca 0.02 1.06 -0.04 0.00 0.31 0.00 0.00 61.69 63.04 1rsn s THR 56 Cb -0.04 -3.56 0.05 0.00 0.01 0.00 0.00 72.50 68.96 1rsn s THR 56 CO -0.00 0.03 0.05 -0.69 -0.69 0.00 0.00 174.62 173.31 1rsn s VAL 57 N -1.55 3.30 0.34 3.82 1.01 -0.65 -4.78 120.40 121.90 1rsn s VAL 57 Ca 0.59 -1.31 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 1rsn s VAL 57 Cb -0.27 -2.90 -0.11 0.00 0.00 0.00 0.00 36.38 33.11 1rsn s VAL 57 CO 0.33 -0.15 1.42 -0.63 0.00 0.00 0.00 175.10 176.06 1rsn s ILE 58 N 1.31 2.38 -0.44 2.22 1.01 -1.26 -4.40 121.20 122.01 1rsn s ILE 58 Ca -0.03 0.37 -0.09 0.00 0.00 0.00 0.00 60.65 60.90 1rsn s ILE 58 Cb -0.20 -3.24 0.10 0.00 0.01 0.00 0.00 42.46 39.13 1rsn s ILE 58 CO 0.00 0.08 0.29 -0.89 0.00 0.00 0.00 174.94 174.43 1rsn s THR 59 N -0.96 4.16 0.29 2.92 2.01 -1.26 -4.78 115.64 118.01 1rsn s THR 59 Ca 0.52 -1.60 -0.30 0.00 0.31 0.00 0.00 61.69 60.62 1rsn s THR 59 Cb -0.43 -3.64 -0.12 0.00 0.01 0.00 0.00 72.50 68.32 1rsn s THR 59 CO 0.56 -0.63 1.56 -2.65 -0.69 0.00 0.00 174.62 172.78 1rsn n PRO 60 N 4.89 2.59 0.00 4.92 -0.02 -1.26 -1.31 135.00 144.82 1rsn n PRO 60 Ca -0.09 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1rsn n PRO 60 Cb 0.42 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 1rsn n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rsn n GLY 61 N 2.10 3.21 3.81 -1.23 0.00 -1.26 -5.04 105.19 106.78 1rsn n GLY 61 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1rsn n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rsn s ALA 62 N -2.25 2.84 -0.79 4.61 0.00 -0.42 -4.96 121.76 120.80 1rsn s ALA 62 Ca 0.00 0.43 0.24 0.00 0.00 0.00 0.00 51.96 52.63 1rsn s ALA 62 Cb 0.00 -3.22 0.22 0.00 0.00 0.00 0.00 23.12 20.12 1rsn s ALA 62 CO 0.00 -0.52 1.19 2.89 0.00 0.00 0.00 175.76 179.32 1rsn n ARG 63 N -1.56 0.16 -1.85 0.00 1.85 -1.26 -4.94 116.66 109.06 1rsn n ARG 63 Ca 0.09 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 1rsn n ARG 63 Cb 0.53 -1.57 0.00 0.00 -1.05 0.00 0.00 32.46 30.37 1rsn n ARG 63 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1rsn n THR 64 N -1.78 0.00 0.33 8.89 -2.24 -1.26 -5.01 114.28 113.20 1rsn n THR 64 Ca 0.04 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.95 1rsn n THR 64 Cb 0.39 -0.12 0.60 0.00 -2.10 0.00 0.00 70.33 69.10 1rsn n THR 64 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1rsn h ARG 65 N 0.00 0.00 0.00 -0.78 3.08 -1.98 -3.46 114.38 111.24 1rsn h ARG 65 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1rsn h ARG 65 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1rsn h ARG 65 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1rsn n GLY 66 N -0.28 -1.08 0.34 0.04 0.00 -1.26 -4.61 105.19 98.35 1rsn n GLY 66 Ca 0.01 -1.19 0.03 0.00 0.00 0.00 0.00 46.02 44.87 1rsn n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rsn n THR 67 N -0.37 0.55 -3.46 2.61 -2.24 -1.26 -4.98 114.28 105.13 1rsn n THR 67 Ca 0.00 -0.77 -0.37 0.00 -2.27 0.00 0.00 64.05 60.64 1rsn n THR 67 Cb 0.00 0.79 -0.07 0.00 -2.10 0.00 0.00 70.33 68.95 1rsn n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1rsn s ARG 68 N -0.81 4.27 0.11 -0.78 0.52 -1.26 -1.41 118.95 119.59 1rsn s ARG 68 Ca 0.12 0.22 -0.08 0.00 -0.52 0.00 0.00 55.73 55.46 1rsn s ARG 68 Cb 0.07 -3.42 -0.01 0.00 0.52 0.00 0.00 34.95 32.11 1rsn s ARG 68 CO 0.09 0.23 0.20 1.03 0.02 0.00 0.00 175.30 176.87 1rsn s ARG 69 N 0.47 0.91 -0.13 3.54 1.81 -0.06 -1.63 118.95 123.85 1rsn s ARG 69 Ca 0.20 -1.02 -0.00 0.00 -1.72 0.00 0.00 55.73 53.18 1rsn s ARG 69 Cb -0.14 0.34 -0.01 0.00 -0.45 0.00 0.00 34.95 34.69 1rsn s ARG 69 CO 0.06 -0.30 -0.13 0.42 -0.68 0.00 0.00 175.30 174.68 1rsn s ILE 70 N -3.89 3.07 -0.22 1.52 1.01 -0.30 -1.55 121.20 120.83 1rsn s ILE 70 Ca 0.08 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 60.02 1rsn s ILE 70 Cb 0.05 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.20 1rsn s ILE 70 CO -0.08 0.52 0.02 -0.63 0.00 0.00 0.00 174.94 174.77 1rsn s ILE 71 N 0.37 4.04 0.14 2.92 -1.09 -0.33 -1.15 121.20 126.10 1rsn s ILE 71 Ca -0.11 -0.27 0.04 0.00 -2.23 0.00 0.00 60.65 58.08 1rsn s ILE 71 Cb -0.16 -2.85 -0.04 0.00 -1.58 0.00 0.00 42.46 37.83 1rsn s ILE 71 CO 0.05 0.40 0.14 0.00 -1.23 0.00 0.00 174.94 174.30 1rsn n GLY 73 N -0.15 3.20 0.07 0.00 0.00 -0.13 -2.21 105.19 105.97 1rsn n GLY 73 Ca -0.08 -2.33 0.12 0.00 0.00 0.00 0.00 46.02 43.74 1rsn n GLY 73 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rsn n GLU 74 N -1.42 0.25 -1.40 1.61 1.02 -1.21 -4.69 120.64 114.80 1rsn n GLU 74 Ca -0.11 0.12 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 1rsn n GLU 74 Cb 0.59 -1.70 0.12 0.00 -0.02 0.00 0.00 31.44 30.43 1rsn n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rsn s ALA 75 N -3.13 1.79 0.14 0.62 0.00 -1.26 -4.95 121.76 114.97 1rsn s ALA 75 Ca 0.08 -0.24 -0.31 0.00 0.00 0.00 0.00 51.96 51.50 1rsn s ALA 75 Cb 0.14 -3.12 -0.08 0.00 0.00 0.00 0.00 23.12 20.06 1rsn s ALA 75 CO 0.67 -2.16 1.30 0.95 0.00 0.00 0.00 175.76 176.53 1rsn s THR 76 N -3.09 3.45 -2.10 0.00 -4.23 -1.26 -2.46 115.64 105.95 1rsn s THR 76 Ca 0.63 1.11 0.00 0.00 -1.18 0.00 0.00 61.69 62.25 1rsn s THR 76 Cb -0.16 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 69.97 1rsn s THR 76 CO 0.55 0.12 0.00 0.00 -0.54 0.00 0.00 174.62 174.76 1rsn n GLN 77 N 3.34 -1.48 -2.83 3.99 6.02 -1.26 -4.89 117.38 120.26 1rsn n GLN 77 Ca 0.08 1.17 -0.43 0.00 -0.01 0.00 0.00 57.00 57.81 1rsn n GLN 77 Cb 0.44 -5.59 -0.02 0.00 1.02 0.00 0.00 30.24 26.09 1rsn n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1rsn s GLU 78 N -3.91 3.73 -0.06 -1.09 2.12 -1.03 -4.85 118.70 113.61 1rsn s GLU 78 Ca 0.00 -1.81 0.03 0.00 0.36 0.00 0.00 54.97 53.55 1rsn s GLU 78 Cb 0.00 -5.09 0.01 0.00 0.26 0.00 0.00 34.13 29.31 1rsn s GLU 78 CO 0.00 -1.90 -0.16 -0.51 -0.54 0.00 0.00 175.26 172.15 1rsn s ASP 79 N 3.79 2.12 0.02 -1.70 1.01 -1.26 -0.95 116.67 119.70 1rsn s ASP 79 Ca 0.39 -0.36 0.06 0.00 0.71 0.00 0.00 52.55 53.35 1rsn s ASP 79 Cb -0.03 -0.85 -0.03 0.00 1.01 0.00 0.00 42.92 43.02 1rsn s ASP 79 CO -0.06 0.10 -0.16 -0.31 0.21 0.00 0.00 175.17 174.94 1rsn s TYR 80 N 0.40 2.63 -0.07 4.23 2.02 0.34 -0.94 117.35 125.95 1rsn s TYR 80 Ca -0.12 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.39 1rsn s TYR 80 Cb -0.15 -1.51 -0.03 0.00 -0.40 0.00 0.00 41.96 39.87 1rsn s TYR 80 CO 0.04 0.25 -0.09 -0.47 -1.57 0.00 0.00 175.55 173.71 1rsn s TYR 81 N -0.90 2.86 -0.04 2.71 5.04 0.25 -1.18 117.35 126.09 1rsn s TYR 81 Ca 0.14 -0.07 0.01 0.00 -2.44 0.00 0.00 57.07 54.72 1rsn s TYR 81 Cb -0.11 -1.70 0.02 0.00 0.35 0.00 0.00 41.96 40.52 1rsn s TYR 81 CO 0.05 0.26 -0.06 -0.08 -1.34 0.00 0.00 175.55 174.38 1rsn s THR 82 N -0.71 0.60 -1.42 4.34 -1.32 -0.60 -0.83 115.64 115.71 1rsn s THR 82 Ca 0.11 -0.20 0.12 0.00 -1.21 0.00 0.00 61.69 60.51 1rsn s THR 82 Cb -0.11 -0.59 0.14 0.00 -1.51 0.00 0.00 72.50 70.43 1rsn s THR 82 CO 0.01 0.22 0.96 0.61 -2.21 0.00 0.00 174.62 174.21 1rsn n GLY 83 N 3.75 0.33 2.03 6.08 0.00 -1.26 -0.88 105.19 115.25 1rsn n GLY 83 Ca -0.23 -0.36 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 1rsn n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rsn n ASP 84 N 0.67 2.39 -3.51 1.61 5.68 -1.23 -4.36 116.55 117.80 1rsn n ASP 84 Ca 0.08 -2.75 -0.25 0.00 -0.50 0.00 0.00 54.79 51.38 1rsn n ASP 84 Cb 0.33 -0.41 0.05 0.00 -1.14 0.00 0.00 41.12 39.95 1rsn n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1rsn n HIS 85 N -0.48 -2.15 -1.44 2.11 -0.00 -0.50 -2.99 115.22 109.78 1rsn n HIS 85 Ca 0.19 0.62 -0.15 0.00 -0.00 0.00 0.00 57.72 58.37 1rsn n HIS 85 Cb 0.90 -3.69 -0.07 0.00 -0.00 0.00 0.00 29.99 27.13 1rsn n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1rsn n TYR 86 N -3.74 0.00 -0.03 1.57 4.01 -1.26 -4.90 117.16 112.80 1rsn n TYR 86 Ca -0.08 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.52 1rsn n TYR 86 Cb 0.60 -2.74 -0.10 0.00 -0.31 0.00 0.00 39.34 36.79 1rsn n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rsn h ALA 87 N 0.00 0.04 -2.63 -0.72 0.00 -1.95 -3.47 119.26 110.53 1rsn h ALA 87 Ca -0.31 -0.35 -0.32 0.00 0.00 0.00 0.00 54.91 53.92 1rsn h ALA 87 Cb 1.04 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.65 1rsn h ALA 87 CO 0.46 -0.08 -0.73 0.95 0.00 0.00 0.00 179.25 179.85 1rsn s THR 88 N -3.67 1.01 0.02 0.00 -4.23 -1.26 -5.05 115.64 102.46 1rsn s THR 88 Ca -0.16 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1rsn s THR 88 Cb 0.01 -1.48 -0.02 0.00 1.34 0.00 0.00 72.50 72.35 1rsn s THR 88 CO 0.70 -0.60 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.79 1rsn s PHE 89 N -2.64 0.34 0.03 3.99 0.40 -1.26 -4.44 117.98 114.39 1rsn s PHE 89 Ca 0.08 -0.53 0.06 0.00 -0.60 0.00 0.00 56.93 55.94 1rsn s PHE 89 Cb -0.02 -0.23 -0.02 0.00 0.51 0.00 0.00 43.02 43.26 1rsn s PHE 89 CO 0.00 -0.17 -0.18 -1.12 0.70 0.00 0.00 175.22 174.45 1rsn s SER 90 N -1.51 2.14 0.10 1.36 0.01 -0.01 -0.53 113.70 115.26 1rsn s SER 90 Ca -0.14 -0.44 -0.30 0.00 1.31 0.00 0.00 55.95 56.37 1rsn s SER 90 Cb -0.10 -0.19 -0.06 0.00 0.21 0.00 0.00 66.02 65.89 1rsn s SER 90 CO -0.01 0.14 1.11 -0.22 0.41 0.00 0.00 173.24 174.67 1rsn s LEU 91 N -0.94 4.43 -0.08 2.44 2.96 -0.76 -0.58 118.68 126.15 1rsn s LEU 91 Ca 0.06 1.98 -0.22 0.00 -0.22 0.00 0.00 54.13 55.73 1rsn s LEU 91 Cb -0.08 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1rsn s LEU 91 CO 0.01 -0.31 0.62 -0.63 -1.32 0.00 0.00 176.35 174.72 1rsn s ILE 92 N 0.44 5.09 -0.42 6.68 1.01 -0.12 -0.05 121.20 133.82 1rsn s ILE 92 Ca 0.53 1.27 -0.13 0.00 0.00 0.00 0.00 60.65 62.33 1rsn s ILE 92 Cb -0.28 -3.96 0.05 0.00 0.01 0.00 0.00 42.46 38.28 1rsn s ILE 92 CO 0.31 0.28 0.30 -0.62 0.00 0.00 0.00 174.94 175.21 1rsn s ASP 93 N 0.71 5.92 0.00 3.58 -1.08 0.15 -4.78 116.67 121.16 1rsn s ASP 93 Ca 0.33 -1.19 0.24 0.00 -0.52 0.00 0.00 52.55 51.41 1rsn s ASP 93 Cb -0.17 -2.09 1.44 0.00 -1.46 0.00 0.00 42.92 40.64 1rsn s ASP 93 CO 0.15 -0.51 1.91 0.00 0.52 0.00 0.00 175.17 177.25 1rsn n GLN 94 N 5.08 0.98 -0.07 4.34 6.02 -1.26 -1.20 117.38 131.27 1rsn n GLN 94 Ca -0.11 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.00 1rsn n GLN 94 Cb 0.45 -1.38 0.20 0.00 1.02 0.00 0.00 30.24 30.52 1rsn n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1rsn n THR 95 N -0.88 0.18 -0.96 5.09 -2.24 -1.26 -4.88 114.28 109.33 1rsn n THR 95 Ca 0.18 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1rsn n THR 95 Cb 0.08 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 1rsn n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50