#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 5.06 0.24 2.53 1.01 -1.26 -4.64 120.40 123.35 1rsn s VAL 2 Ca 0.00 0.94 0.22 0.00 0.00 0.00 0.00 61.98 63.14 1rsn s VAL 2 Cb 0.00 -3.79 0.20 0.00 0.00 0.00 0.00 36.38 32.80 1rsn s VAL 2 CO 0.00 0.46 1.86 0.28 0.00 0.00 0.00 175.10 177.70 1rsn h SER 3 N 5.64 0.00 -0.52 3.32 0.02 -0.87 -3.49 113.55 117.64 1rsn h SER 3 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1rsn h SER 3 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1rsn h SER 3 CO 0.68 0.26 0.00 0.61 -1.14 0.00 0.00 176.83 177.25 1rsn n GLY 4 N -0.10 -0.63 3.62 -3.77 0.00 -1.26 -5.04 105.19 98.01 1rsn n GLY 4 Ca -0.01 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 1rsn n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rsn s THR 5 N -2.87 3.69 0.02 2.61 2.01 -1.26 0.34 115.64 120.18 1rsn s THR 5 Ca 0.00 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.10 1rsn s THR 5 Cb 0.00 -2.67 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 1rsn s THR 5 CO 0.00 0.27 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.44 1rsn s VAL 6 N -1.12 0.53 0.32 3.82 1.01 0.45 -4.86 120.40 120.55 1rsn s VAL 6 Ca 0.20 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 61.26 1rsn s VAL 6 Cb -0.11 -0.51 -0.10 0.00 0.00 0.00 0.00 36.38 35.66 1rsn s VAL 6 CO 0.11 -0.09 1.17 0.00 0.00 0.00 0.00 175.10 176.30 1rsn h LEU 8 N 3.46 0.43 -1.49 0.00 5.85 -0.43 -1.09 115.31 122.04 1rsn h LEU 8 Ca -0.48 -0.01 0.00 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 42.14 1rsn h LEU 8 CO 0.66 0.31 0.00 0.77 -0.34 0.00 0.00 178.44 179.84 1rsn h SER 9 N 0.51 0.00 0.22 1.25 4.64 -1.71 -2.28 113.55 116.18 1rsn h SER 9 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1rsn h SER 9 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1rsn h SER 9 CO -0.03 0.00 -0.30 0.00 -0.87 0.00 0.00 176.83 175.62 1rsn n ALA 10 N -1.94 3.18 -2.18 5.18 0.00 -0.41 -4.92 120.51 119.42 1rsn n ALA 10 Ca 0.00 -0.43 -0.21 0.00 0.00 0.00 0.00 53.44 52.80 1rsn n ALA 10 Cb 0.20 -1.09 0.02 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.53 3.57 0.57 0.00 1.43 -0.86 -5.00 118.68 115.86 1rsn s LEU 11 Ca 0.23 -0.00 -0.20 0.00 -1.03 0.00 0.00 54.13 53.12 1rsn s LEU 11 Cb 0.19 -2.92 -0.05 0.00 0.03 0.00 0.00 46.19 43.44 1rsn s LEU 11 CO 0.54 -0.82 1.15 -2.65 0.23 0.00 0.00 176.35 174.79 1rsn n PRO 12 N -2.07 1.25 0.09 1.29 -0.02 -1.26 -4.87 135.00 129.41 1rsn n PRO 12 Ca 0.04 0.47 0.15 0.00 -2.02 0.00 0.00 63.50 62.15 1rsn n PRO 12 Cb 0.59 -2.34 0.66 0.00 -0.02 0.00 0.00 33.50 32.39 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 0.94 0.02 0.00 0.52 0.13 -1.95 0.58 132.00 132.25 1rsn h PRO 13 Ca -0.49 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1rsn h PRO 13 Cb 1.34 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 1rsn h PRO 13 CO 0.54 0.02 -0.08 0.93 -0.23 0.00 0.00 178.00 179.17 1rsn h GLU 14 N 0.02 0.00 -0.36 0.86 3.07 -1.89 -1.46 114.58 114.83 1rsn h GLU 14 Ca 0.17 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.90 1rsn h GLU 14 Cb 0.63 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1rsn h GLU 14 CO -0.01 0.08 -0.28 0.00 -1.40 0.00 0.00 179.01 177.41 1rsn h ALA 15 N 1.92 0.83 -0.61 3.43 0.00 -1.21 -1.88 119.26 121.74 1rsn h ALA 15 Ca -0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1rsn h ALA 15 Cb 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1rsn h ALA 15 CO 0.01 0.64 0.19 1.15 0.00 0.00 0.00 179.25 181.24 1rsn h THR 16 N 0.64 1.24 -0.42 0.00 2.02 -1.37 -2.07 112.91 112.95 1rsn h THR 16 Ca 0.08 -0.83 0.02 0.00 0.77 0.00 0.00 66.41 66.45 1rsn h THR 16 Cb 0.80 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 1rsn h THR 16 CO 0.07 0.32 0.25 0.44 0.37 0.00 0.00 175.52 176.96 1rsn h ASP 17 N 0.87 0.41 -0.24 4.18 3.32 -1.12 -1.04 116.42 122.80 1rsn h ASP 17 Ca 0.20 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.28 1rsn h ASP 17 Cb 0.29 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1rsn h ASP 17 CO -0.01 0.29 0.07 0.74 -1.72 0.00 0.00 179.24 178.62 1rsn h THR 18 N 0.51 0.92 -0.80 0.35 2.02 -1.15 -1.71 112.91 113.05 1rsn h THR 18 Ca 0.17 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.32 1rsn h THR 18 Cb 0.00 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1rsn h THR 18 CO -0.07 0.03 0.53 -0.07 0.37 0.00 0.00 175.52 176.31 1rsn h LEU 19 N 0.17 0.87 -0.69 2.58 3.38 -1.09 -0.72 115.31 119.81 1rsn h LEU 19 Ca 0.11 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1rsn h LEU 19 Cb 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1rsn h LEU 19 CO -0.12 0.61 -0.22 0.78 0.09 0.00 0.00 178.44 179.57 1rsn h ASN 20 N 1.01 0.79 -0.35 -0.43 2.35 -0.92 -1.33 115.58 116.70 1rsn h ASN 20 Ca 0.31 -0.28 -0.14 0.00 -0.55 0.00 0.00 56.30 55.64 1rsn h ASN 20 Cb -0.00 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 1rsn h ASN 20 CO -0.09 0.99 -0.29 -0.07 -1.65 0.00 0.00 177.43 176.33 1rsn h LEU 21 N 0.68 0.90 -0.80 1.61 3.38 -0.70 -2.65 115.31 117.73 1rsn h LEU 21 Ca 0.09 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1rsn h LEU 21 Cb 0.74 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1rsn h LEU 21 CO 0.06 1.12 0.30 0.40 0.09 0.00 0.00 178.44 180.42 1rsn h ILE 22 N 0.74 1.26 -0.18 1.22 2.04 -0.84 0.13 117.51 121.88 1rsn h ILE 22 Ca 0.08 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 65.05 1rsn h ILE 22 Cb 0.84 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1rsn h ILE 22 CO 0.07 0.34 -0.13 0.00 0.00 0.00 0.00 178.15 178.44 1rsn h ALA 23 N 1.17 1.46 -0.15 1.87 0.00 -1.01 -2.70 119.26 119.89 1rsn h ALA 23 Ca 0.26 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rsn h ALA 23 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1rsn h ALA 23 CO -0.02 0.38 0.00 -1.13 0.00 0.00 0.00 179.25 178.48 1rsn n SER 24 N -4.26 2.62 -3.07 0.00 3.41 -1.02 -4.95 113.62 106.35 1rsn n SER 24 Ca -0.00 -1.85 -0.18 0.00 -0.26 0.00 0.00 58.87 56.57 1rsn n SER 24 Cb 0.28 -0.09 0.07 0.00 -0.26 0.00 0.00 64.21 64.21 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 0.99 -4.42 0.00 4.04 -0.08 -0.49 -4.75 116.55 111.84 1rsn n ASP 25 Ca 0.17 -0.47 0.00 0.00 -1.51 0.00 0.00 54.79 52.97 1rsn n ASP 25 Cb 0.51 -4.32 0.00 0.00 2.34 0.00 0.00 41.12 39.65 1rsn n ASP 25 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rsn n GLY 26 N -1.54 -1.41 3.78 0.27 0.00 0.33 -4.86 105.19 101.77 1rsn n GLY 26 Ca -0.08 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 1rsn n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rsn s PRO 27 N 0.00 2.78 0.11 1.61 0.04 -1.26 -4.91 135.00 133.38 1rsn s PRO 27 Ca 0.00 1.23 0.04 0.00 0.04 0.00 0.00 61.00 62.31 1rsn s PRO 27 Cb 0.00 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1rsn s PRO 27 CO 0.00 -1.24 0.07 -0.06 0.04 0.00 0.00 177.00 175.81 1rsn s PHE 28 N -2.62 3.12 0.29 0.56 0.08 -1.26 -4.98 117.98 113.17 1rsn s PHE 28 Ca 0.63 0.02 0.14 0.00 0.12 0.00 0.00 56.93 57.84 1rsn s PHE 28 Cb -0.18 -1.56 0.63 0.00 -0.57 0.00 0.00 43.02 41.34 1rsn s PHE 28 CO 0.46 0.51 1.74 -1.00 -0.10 0.00 0.00 175.22 176.84 1rsn h PRO 29 N 3.03 0.00 -6.61 0.24 0.13 -2.00 -3.45 132.00 123.34 1rsn h PRO 29 Ca -0.47 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.97 1rsn h PRO 29 Cb 1.18 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.09 1rsn h PRO 29 CO 0.63 0.44 -0.81 0.71 -0.23 0.00 0.00 178.00 178.75 1rsn s TYR 30 N -3.85 2.53 0.35 1.56 2.02 -1.26 -5.02 117.35 113.67 1rsn s TYR 30 Ca -0.02 -0.27 0.17 0.00 -0.37 0.00 0.00 57.07 56.58 1rsn s TYR 30 Cb 0.13 -1.44 0.88 0.00 -0.40 0.00 0.00 41.96 41.14 1rsn s TYR 30 CO 0.72 0.27 1.87 0.66 -1.57 0.00 0.00 175.55 177.50 1rsn h SER 31 N 4.42 0.00 0.76 2.29 4.64 -2.05 -2.30 113.55 121.31 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 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1rsn h SER 31 CO 0.47 0.31 0.00 0.00 -0.87 0.00 0.00 176.83 176.74 1rsn n GLN 32 N -3.90 0.07 -2.20 4.77 3.00 -1.26 -4.85 117.38 113.02 1rsn n GLN 32 Ca -0.02 0.07 -0.42 0.00 -0.01 0.00 0.00 57.00 56.63 1rsn n GLN 32 Cb 0.38 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.09 1rsn n GLN 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1rsn s ASP 33 N -2.91 6.85 0.00 1.08 1.01 -0.87 -2.96 116.67 118.87 1rsn s ASP 33 Ca 0.14 2.30 0.00 0.00 0.71 0.00 0.00 52.55 55.70 1rsn s ASP 33 Cb 0.16 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.50 1rsn s ASP 33 CO 0.43 -0.63 0.00 0.61 0.21 0.00 0.00 175.17 175.79 1rsn n GLY 34 N 3.43 0.74 3.85 0.21 0.00 0.81 -5.00 105.19 109.24 1rsn n GLY 34 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.27 3.98 0.32 1.61 -7.23 -1.16 -4.70 120.40 110.96 1rsn s VAL 35 Ca 0.00 0.64 -0.29 0.00 -1.81 0.00 0.00 61.98 60.52 1rsn s VAL 35 Cb 0.00 -3.55 -0.10 0.00 0.56 0.00 0.00 36.38 33.29 1rsn s VAL 35 CO 0.00 -0.84 1.40 -0.69 -0.31 0.00 0.00 175.10 174.66 1rsn s VAL 36 N -3.20 2.49 -0.30 1.32 1.01 -1.26 -1.18 120.40 119.28 1rsn s VAL 36 Ca 0.57 0.47 -0.12 0.00 0.00 0.00 0.00 61.98 62.90 1rsn s VAL 36 Cb -0.12 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1rsn s VAL 36 CO 0.54 0.10 0.21 0.12 0.00 0.00 0.00 175.10 176.07 1rsn s PHE 37 N -0.81 3.22 -0.64 5.22 5.36 -0.87 -4.72 117.98 124.75 1rsn s PHE 37 Ca 0.53 0.01 0.26 0.00 -0.96 0.00 0.00 56.93 56.77 1rsn s PHE 37 Cb -0.42 -2.42 0.79 0.00 -0.34 0.00 0.00 43.02 40.62 1rsn s PHE 37 CO 0.53 -0.23 1.75 1.96 -1.46 0.00 0.00 175.22 177.77 1rsn h GLN 38 N 8.41 0.00 -6.17 10.12 4.20 -1.94 -3.40 115.11 126.33 1rsn h GLN 38 Ca -0.34 0.00 -0.44 0.00 0.06 0.00 0.00 58.65 57.94 1rsn h GLN 38 Cb 1.18 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.98 1rsn h GLN 38 CO 0.58 0.00 -0.82 -1.71 -0.67 0.00 0.00 178.83 176.22 1rsn n ASN 39 N -2.38 -2.01 0.04 1.46 5.15 -1.26 -4.87 115.26 111.38 1rsn n ASN 39 Ca 0.05 -0.82 -0.01 0.00 -0.60 0.00 0.00 54.58 53.20 1rsn n ASN 39 Cb 0.41 -3.94 0.28 0.00 -0.53 0.00 0.00 39.78 36.00 1rsn n ASN 39 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1rsn h ARG 40 N -1.92 0.43 0.00 1.20 2.43 -2.00 -1.90 114.38 112.62 1rsn h ARG 40 Ca -0.60 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.44 1rsn h ARG 40 Cb 1.36 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 1rsn h ARG 40 CO 0.60 0.57 0.00 0.39 -1.51 0.00 0.00 179.97 180.01 1rsn n GLU 41 N -4.21 0.39 -2.17 0.20 4.71 -1.26 -4.93 120.64 113.37 1rsn n GLU 41 Ca 0.00 0.01 -0.17 0.00 -0.01 0.00 0.00 57.16 56.99 1rsn n GLU 41 Cb 0.32 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.23 1rsn n GLU 41 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1rsn n SER 42 N -1.30 -5.01 0.02 1.62 2.88 -0.71 -4.93 113.62 106.18 1rsn n SER 42 Ca 0.13 0.07 -0.15 0.00 -1.33 0.00 0.00 58.87 57.59 1rsn n SER 42 Cb 0.24 -4.08 -0.05 0.00 -0.75 0.00 0.00 64.21 59.57 1rsn n SER 42 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1rsn h VAL 43 N 0.00 1.32 -2.46 2.46 2.07 -1.92 -3.40 116.25 114.32 1rsn h VAL 43 Ca -0.39 -2.11 -0.45 0.00 0.82 0.00 0.00 66.70 64.56 1rsn h VAL 43 Cb 1.26 2.13 0.02 0.00 -1.52 0.00 0.00 31.29 33.18 1rsn h VAL 43 CO 0.48 0.65 -0.16 -0.76 0.02 0.00 0.00 177.57 177.80 1rsn s LEU 44 N -8.17 3.72 0.42 2.57 1.43 -1.26 0.74 118.68 118.13 1rsn s LEU 44 Ca -0.08 0.13 -0.25 0.00 -1.03 0.00 0.00 54.13 52.89 1rsn s LEU 44 Cb 0.09 -3.03 -0.10 0.00 0.03 0.00 0.00 46.19 43.18 1rsn s LEU 44 CO 0.89 -0.65 1.29 -2.65 0.23 0.00 0.00 176.35 175.46 1rsn n PRO 45 N -1.97 1.98 -1.77 1.29 -0.02 -1.26 -4.88 135.00 128.36 1rsn n PRO 45 Ca 0.01 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 1rsn n PRO 45 Cb 0.58 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.19 2.27 0.23 3.45 2.01 -1.26 -5.00 115.64 116.14 1rsn s THR 46 Ca 0.61 0.12 -0.08 0.00 0.31 0.00 0.00 61.69 62.65 1rsn s THR 46 Cb -0.50 -3.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 1rsn s THR 46 CO 0.58 0.01 0.33 -1.10 -0.69 0.00 0.00 174.62 173.75 1rsn s GLN 47 N 1.49 1.41 0.83 4.92 -1.52 -1.26 -5.16 119.66 120.38 1rsn s GLN 47 Ca 0.75 -1.41 -0.10 0.00 -1.95 0.00 0.00 55.36 52.64 1rsn s GLN 47 Cb -0.48 0.39 0.09 0.00 -0.22 0.00 0.00 33.01 32.79 1rsn s GLN 47 CO 0.33 -0.54 1.11 -1.54 -0.25 0.00 0.00 175.29 174.39 1rsn s SER 48 N -3.08 3.89 0.20 5.90 1.04 -1.26 -4.93 113.70 115.46 1rsn s SER 48 Ca 0.29 1.90 -0.32 0.00 0.48 0.00 0.00 55.95 58.30 1rsn s SER 48 Cb 0.02 -2.50 -0.12 0.00 0.10 0.00 0.00 66.02 63.52 1rsn s SER 48 CO 0.10 -2.44 1.73 0.00 0.98 0.00 0.00 173.24 173.61 1rsn n TYR 49 N -3.79 2.72 0.00 5.02 9.36 -1.26 -1.93 117.16 127.28 1rsn n TYR 49 Ca 0.10 0.04 0.00 0.00 3.32 0.00 0.00 57.90 61.35 1rsn n TYR 49 Cb 0.53 -2.67 0.00 0.00 -0.63 0.00 0.00 39.34 36.57 1rsn n TYR 49 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1rsn n GLY 50 N 3.96 1.12 0.31 2.98 0.00 -1.26 -4.92 105.19 107.37 1rsn n GLY 50 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 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 1.06 -3.02 1.61 5.03 -1.72 -3.44 116.97 116.48 1rsn h TYR 51 Ca 0.00 -0.14 -0.66 0.00 2.58 0.00 0.00 58.73 60.51 1rsn h TYR 51 Cb 0.00 -0.29 -0.09 0.00 1.55 0.00 0.00 36.73 37.90 1rsn h TYR 51 CO 0.00 0.91 -0.56 0.71 -1.32 0.00 0.00 178.16 177.90 1rsn s TYR 52 N -5.15 3.35 0.04 -3.82 2.02 -1.26 -2.75 117.35 109.78 1rsn s TYR 52 Ca -0.11 0.26 0.03 0.00 -0.37 0.00 0.00 57.07 56.88 1rsn s TYR 52 Cb 0.15 -1.78 -0.02 0.00 -0.40 0.00 0.00 41.96 39.91 1rsn s TYR 52 CO 0.84 0.58 -0.09 -1.01 -1.57 0.00 0.00 175.55 174.30 1rsn s HIS 53 N -1.18 0.75 0.04 2.71 3.76 -0.91 -2.04 115.29 118.42 1rsn s HIS 53 Ca 0.22 -0.41 0.07 0.00 -0.15 0.00 0.00 55.06 54.80 1rsn s HIS 53 Cb -0.12 -0.45 -0.03 0.00 1.11 0.00 0.00 32.58 33.09 1rsn s HIS 53 CO 0.13 -0.04 -0.19 -1.83 -0.85 0.00 0.00 174.74 171.96 1rsn s GLU 54 N -1.30 2.03 0.01 1.40 4.04 -0.32 -0.64 118.70 123.91 1rsn s GLU 54 Ca -0.06 -1.00 0.01 0.00 0.04 0.00 0.00 54.97 53.96 1rsn s GLU 54 Cb -0.08 -2.16 -0.01 0.00 0.02 0.00 0.00 34.13 31.90 1rsn s GLU 54 CO 0.01 0.53 -0.04 0.71 -1.84 0.00 0.00 175.26 174.63 1rsn s TYR 55 N -0.92 0.36 0.25 4.83 1.51 -0.51 -0.13 117.35 122.74 1rsn s TYR 55 Ca 0.14 -0.17 -0.30 0.00 -1.01 0.00 0.00 57.07 55.74 1rsn s TYR 55 Cb -0.10 -0.23 -0.09 0.00 -0.11 0.00 0.00 41.96 41.42 1rsn s TYR 55 CO 0.05 -0.03 1.01 0.99 -1.11 0.00 0.00 175.55 176.45 1rsn s THR 56 N -0.41 3.84 -0.38 -0.71 2.01 -1.26 -0.10 115.64 118.63 1rsn s THR 56 Ca -0.02 1.85 -0.09 0.00 0.31 0.00 0.00 61.69 63.74 1rsn s THR 56 Cb -0.03 -4.17 0.05 0.00 0.01 0.00 0.00 72.50 68.35 1rsn s THR 56 CO -0.00 0.44 0.19 -0.69 -0.69 0.00 0.00 174.62 173.86 1rsn s VAL 57 N -1.15 4.18 0.22 3.82 1.01 -0.92 -4.77 120.40 122.80 1rsn s VAL 57 Ca 0.43 -1.14 -0.32 0.00 0.00 0.00 0.00 61.98 60.95 1rsn s VAL 57 Cb -0.28 -3.42 -0.13 0.00 0.00 0.00 0.00 36.38 32.54 1rsn s VAL 57 CO 0.36 -0.31 1.47 -0.38 0.00 0.00 0.00 175.10 176.24 1rsn n ILE 58 N 4.90 0.70 -3.48 2.22 5.41 -1.26 -4.41 119.36 123.44 1rsn n ILE 58 Ca -0.11 -0.17 -0.41 0.00 1.00 0.00 0.00 62.75 63.05 1rsn n ILE 58 Cb 0.44 -1.53 -0.10 0.00 -0.71 0.00 0.00 39.64 37.75 1rsn n ILE 58 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1rsn s THR 59 N 0.20 5.24 0.04 1.39 2.01 -1.26 -4.82 115.64 118.44 1rsn s THR 59 Ca 0.71 -0.18 -0.35 0.00 0.31 0.00 0.00 61.69 62.17 1rsn s THR 59 Cb -0.65 -3.78 -0.14 0.00 0.01 0.00 0.00 72.50 67.94 1rsn s THR 59 CO 0.46 -0.08 1.60 -2.65 -0.69 0.00 0.00 174.62 173.27 1rsn n PRO 60 N 5.21 1.79 0.00 4.92 -0.02 -1.26 -1.95 135.00 143.69 1rsn n PRO 60 Ca -0.11 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1rsn n PRO 60 Cb 0.49 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 3.50 2.98 3.77 -1.23 0.00 -1.26 -5.03 105.19 107.92 1rsn n GLY 61 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.97 3.27 -0.30 4.61 0.00 -0.82 -4.94 121.76 121.61 1rsn s ALA 62 Ca 0.00 1.05 0.21 0.00 0.00 0.00 0.00 51.96 53.22 1rsn s ALA 62 Cb 0.00 -3.41 0.15 0.00 0.00 0.00 0.00 23.12 19.87 1rsn s ALA 62 CO 0.00 -0.54 1.35 0.00 0.00 0.00 0.00 175.76 176.57 1rsn h ARG 63 N 2.96 0.00 0.00 0.00 3.08 -1.96 -3.47 114.38 114.99 1rsn h ARG 63 Ca -0.49 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.31 1rsn h ARG 63 Cb 1.23 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.25 1rsn h ARG 63 CO 0.64 0.12 -0.15 0.25 -1.07 0.00 0.00 179.97 179.76 1rsn n THR 64 N -2.99 0.00 0.44 2.04 -2.24 -1.26 -5.00 114.28 105.27 1rsn n THR 64 Ca 0.01 -0.96 0.09 0.00 -2.27 0.00 0.00 64.05 60.92 1rsn n THR 64 Cb 0.60 -0.12 0.38 0.00 -2.10 0.00 0.00 70.33 69.10 1rsn n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rsn n ARG 65 N -0.87 0.09 0.00 -0.78 1.74 -1.26 -4.86 116.66 110.72 1rsn n ARG 65 Ca -0.04 0.34 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 1rsn n ARG 65 Cb 0.27 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1rsn n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rsn n GLY 66 N -0.06 0.90 0.39 -0.13 0.00 -1.26 -4.37 105.19 100.67 1rsn n GLY 66 Ca 0.03 -0.69 0.04 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 0.53 -3.91 2.61 -2.24 -1.26 -4.93 114.28 105.08 1rsn n THR 67 Ca 0.00 -0.77 -0.36 0.00 -2.27 0.00 0.00 64.05 60.66 1rsn n THR 67 Cb 0.00 0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 68.97 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 -0.84 3.64 0.09 -0.78 0.52 -1.26 -0.70 118.95 119.61 1rsn s ARG 68 Ca 0.13 -0.21 -0.10 0.00 -0.52 0.00 0.00 55.73 55.03 1rsn s ARG 68 Cb 0.08 -3.21 0.01 0.00 0.52 0.00 0.00 34.95 32.35 1rsn s ARG 68 CO 0.11 0.60 0.23 1.03 0.02 0.00 0.00 175.30 177.28 1rsn s ARG 69 N -0.51 0.86 -0.09 3.54 1.81 -0.17 -2.17 118.95 122.22 1rsn s ARG 69 Ca 0.12 -0.85 0.00 0.00 -1.72 0.00 0.00 55.73 53.28 1rsn s ARG 69 Cb -0.12 0.36 -0.03 0.00 -0.45 0.00 0.00 34.95 34.71 1rsn s ARG 69 CO 0.02 -0.28 -0.09 0.42 -0.68 0.00 0.00 175.30 174.68 1rsn s ILE 70 N -3.63 3.47 -0.19 1.52 1.01 0.86 -1.71 121.20 122.53 1rsn s ILE 70 Ca 0.03 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.10 1rsn s ILE 70 Cb 0.03 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 1rsn s ILE 70 CO -0.10 0.56 -0.06 -0.63 0.00 0.00 0.00 174.94 174.71 1rsn s ILE 71 N -0.34 3.38 0.13 2.92 -1.09 0.19 -1.43 121.20 124.97 1rsn s ILE 71 Ca 0.04 -0.51 0.01 0.00 -2.23 0.00 0.00 60.65 57.97 1rsn s ILE 71 Cb -0.12 -2.51 -0.04 0.00 -1.58 0.00 0.00 42.46 38.21 1rsn s ILE 71 CO 0.02 0.46 0.28 0.00 -1.23 0.00 0.00 174.94 174.47 1rsn s GLY 73 N -3.02 2.40 0.48 0.00 0.00 -0.27 -2.13 107.32 104.77 1rsn s GLY 73 Ca 0.35 -1.98 0.27 0.00 0.00 0.00 0.00 44.72 43.37 1rsn s GLY 73 CO 0.28 -1.95 1.79 0.83 0.00 0.00 0.00 173.10 174.05 1rsn h GLU 74 N 1.41 0.00 -7.17 2.90 5.08 -1.82 -3.43 114.58 111.55 1rsn h GLU 74 Ca -0.43 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.42 1rsn h GLU 74 Cb 1.26 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.62 1rsn h GLU 74 CO 0.70 0.05 0.39 0.00 -1.00 0.00 0.00 179.01 179.16 1rsn s ALA 75 N -3.44 2.44 0.03 3.43 0.00 -1.26 -4.96 121.76 118.00 1rsn s ALA 75 Ca 0.04 0.68 -0.33 0.00 0.00 0.00 0.00 51.96 52.35 1rsn s ALA 75 Cb 0.07 -3.36 -0.12 0.00 0.00 0.00 0.00 23.12 19.72 1rsn s ALA 75 CO 0.62 -1.31 1.81 2.41 0.00 0.00 0.00 175.76 179.29 1rsn n THR 76 N -2.26 0.43 -1.32 0.00 -1.04 -1.26 -1.98 114.28 106.84 1rsn n THR 76 Ca 0.11 -0.08 -0.11 0.00 -2.04 0.00 0.00 64.05 61.94 1rsn n THR 76 Cb 0.51 -1.91 -0.05 0.00 -1.82 0.00 0.00 70.33 67.07 1rsn n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rsn n GLN 77 N 5.80 -1.52 -2.79 -2.82 1.13 -1.26 -4.94 117.38 110.97 1rsn n GLN 77 Ca 0.20 0.87 -0.43 0.00 -1.94 0.00 0.00 57.00 55.70 1rsn n GLN 77 Cb 0.32 -5.19 -0.04 0.00 0.11 0.00 0.00 30.24 25.44 1rsn n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1rsn s GLU 78 N -2.85 3.15 -0.03 -1.09 2.12 -0.84 -4.89 118.70 114.27 1rsn s GLU 78 Ca 0.00 -0.64 -0.01 0.00 0.36 0.00 0.00 54.97 54.68 1rsn s GLU 78 Cb 0.00 -4.20 0.03 0.00 0.26 0.00 0.00 34.13 30.22 1rsn s GLU 78 CO 0.00 -1.85 0.05 -0.51 -0.54 0.00 0.00 175.26 172.42 1rsn s ASP 79 N 3.59 0.02 0.02 -1.70 1.01 -1.26 -1.12 116.67 117.24 1rsn s ASP 79 Ca 0.26 0.09 0.06 0.00 0.71 0.00 0.00 52.55 53.67 1rsn s ASP 79 Cb -0.15 -0.00 -0.03 0.00 1.01 0.00 0.00 42.92 43.75 1rsn s ASP 79 CO 0.12 -0.12 -0.15 -0.31 0.21 0.00 0.00 175.17 174.92 1rsn s TYR 80 N 0.96 2.64 -0.09 4.23 2.02 0.94 -0.68 117.35 127.35 1rsn s TYR 80 Ca -0.08 -0.21 -0.03 0.00 -0.37 0.00 0.00 57.07 56.39 1rsn s TYR 80 Cb -0.11 -1.51 -0.03 0.00 -0.40 0.00 0.00 41.96 39.90 1rsn s TYR 80 CO -0.03 0.26 0.02 -0.47 -1.57 0.00 0.00 175.55 173.76 1rsn s TYR 81 N -0.91 3.22 -0.07 2.71 5.04 0.01 -0.64 117.35 126.71 1rsn s TYR 81 Ca 0.15 0.23 0.02 0.00 -2.44 0.00 0.00 57.07 55.02 1rsn s TYR 81 Cb -0.11 -1.81 0.02 0.00 0.35 0.00 0.00 41.96 40.41 1rsn s TYR 81 CO 0.05 0.50 -0.10 -0.08 -1.34 0.00 0.00 175.55 174.58 1rsn s THR 82 N -0.88 1.01 -1.75 4.34 -1.32 -0.70 -1.37 115.64 114.98 1rsn s THR 82 Ca 0.13 -0.38 0.16 0.00 -1.21 0.00 0.00 61.69 60.39 1rsn s THR 82 Cb -0.11 -0.96 0.07 0.00 -1.51 0.00 0.00 72.50 69.99 1rsn s THR 82 CO 0.02 0.34 0.93 0.61 -2.21 0.00 0.00 174.62 174.31 1rsn n GLY 83 N 4.07 0.08 2.36 6.08 0.00 -1.26 -1.00 105.19 115.51 1rsn n GLY 83 Ca -0.21 -0.45 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 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 0.47 3.65 -3.63 1.61 5.68 -1.22 -4.44 116.55 118.66 1rsn n ASP 84 Ca 0.08 -3.15 -0.26 0.00 -0.50 0.00 0.00 54.79 50.96 1rsn n ASP 84 Cb 0.37 -0.41 0.04 0.00 -1.14 0.00 0.00 41.12 39.98 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 -0.61 -1.98 -1.07 2.11 -0.00 0.12 -3.12 115.22 110.68 1rsn n HIS 85 Ca 0.30 0.64 -0.02 0.00 -0.00 0.00 0.00 57.72 58.64 1rsn n HIS 85 Cb 0.87 -3.83 -0.01 0.00 -0.00 0.00 0.00 29.99 27.02 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 -4.06 0.00 -0.03 1.57 4.01 -1.26 -4.94 117.16 112.45 1rsn n TYR 86 Ca -0.16 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.43 1rsn n TYR 86 Cb 0.63 -0.84 -0.11 0.00 -0.31 0.00 0.00 39.34 38.71 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 -3.15 -0.72 0.00 -1.96 -3.47 119.26 110.00 1rsn h ALA 87 Ca -0.05 -0.46 -0.39 0.00 0.00 0.00 0.00 54.91 54.01 1rsn h ALA 87 Cb 0.29 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 17.89 1rsn h ALA 87 CO 0.07 0.09 -0.76 0.95 0.00 0.00 0.00 179.25 179.60 1rsn s THR 88 N -3.18 1.10 0.04 0.00 -4.23 -1.26 -5.06 115.64 103.05 1rsn s THR 88 Ca -0.16 -1.45 0.02 0.00 -1.18 0.00 0.00 61.69 58.92 1rsn s THR 88 Cb 0.01 -1.21 -0.02 0.00 1.34 0.00 0.00 72.50 72.62 1rsn s THR 88 CO 0.74 -0.34 -0.08 -0.36 -0.54 0.00 0.00 174.62 174.05 1rsn s PHE 89 N -1.70 0.69 0.04 3.99 0.40 -1.26 -4.43 117.98 115.71 1rsn s PHE 89 Ca 0.02 -0.46 0.06 0.00 -0.60 0.00 0.00 56.93 55.94 1rsn s PHE 89 Cb -0.07 -0.41 -0.02 0.00 0.51 0.00 0.00 43.02 43.02 1rsn s PHE 89 CO 0.02 -0.07 -0.17 -1.12 0.70 0.00 0.00 175.22 174.58 1rsn s SER 90 N -1.46 2.06 0.21 1.36 0.01 -0.47 -0.08 113.70 115.33 1rsn s SER 90 Ca -0.08 -0.47 -0.29 0.00 1.31 0.00 0.00 55.95 56.42 1rsn s SER 90 Cb -0.09 -0.16 -0.08 0.00 0.21 0.00 0.00 66.02 65.89 1rsn s SER 90 CO 0.00 0.11 0.90 -0.22 0.41 0.00 0.00 173.24 174.45 1rsn s LEU 91 N -1.08 4.62 -0.15 2.44 2.96 0.15 -0.81 118.68 126.82 1rsn s LEU 91 Ca 0.05 1.86 -0.22 0.00 -0.22 0.00 0.00 54.13 55.60 1rsn s LEU 91 Cb -0.08 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 1rsn s LEU 91 CO 0.01 0.15 0.68 -0.63 -1.32 0.00 0.00 176.35 175.24 1rsn s ILE 92 N -1.06 5.02 -0.37 6.68 1.01 0.14 -0.41 121.20 132.21 1rsn s ILE 92 Ca 0.40 1.32 -0.13 0.00 0.00 0.00 0.00 60.65 62.24 1rsn s ILE 92 Cb -0.25 -4.00 -0.00 0.00 0.01 0.00 0.00 42.46 38.22 1rsn s ILE 92 CO 0.30 0.15 0.26 -0.62 0.00 0.00 0.00 174.94 175.03 1rsn s ASP 93 N 1.03 6.03 0.00 3.58 -1.08 0.14 -4.71 116.67 121.66 1rsn s ASP 93 Ca 0.33 -0.64 0.31 0.00 -0.52 0.00 0.00 52.55 52.02 1rsn s ASP 93 Cb -0.16 -2.13 1.67 0.00 -1.46 0.00 0.00 42.92 40.83 1rsn s ASP 93 CO 0.13 -0.32 2.09 0.00 0.52 0.00 0.00 175.17 177.59 1rsn n GLN 94 N 5.11 1.17 0.00 4.34 6.02 -1.26 -1.09 117.38 131.67 1rsn n GLN 94 Ca -0.12 -0.25 0.13 0.00 -0.01 0.00 0.00 57.00 56.76 1rsn n GLN 94 Cb 0.48 -1.49 0.40 0.00 1.02 0.00 0.00 30.24 30.66 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 -0.69 0.00 -1.31 5.09 -2.24 -1.26 -4.89 114.28 108.97 1rsn n THR 95 Ca 0.22 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1rsn n THR 95 Cb 0.17 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1rsn n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50