#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jow s ALA 2 N 0.00 -0.65 0.59 3.04 0.00 -1.26 -5.08 121.76 118.41 2jow s ALA 2 Ca 0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 51.96 51.54 2jow s ALA 2 Cb 0.00 0.63 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 2jow s ALA 2 CO 0.00 -0.60 1.02 0.95 0.00 0.00 0.00 175.76 177.13 2jow s THR 3 N -3.83 4.51 -1.58 0.00 -4.23 -1.26 -4.95 115.64 104.29 2jow s THR 3 Ca 0.04 0.96 0.02 0.00 -1.18 0.00 0.00 61.69 61.54 2jow s THR 3 Cb 0.03 -3.73 0.05 0.00 1.34 0.00 0.00 72.50 70.18 2jow s THR 3 CO -0.11 -0.92 0.81 -2.65 -0.54 0.00 0.00 174.62 171.21 2jow n PRO 4 N -2.37 0.04 0.00 3.99 -0.02 -1.26 -2.59 135.00 132.80 2jow n PRO 4 Ca 0.07 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2jow n PRO 4 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 2jow n PRO 4 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 2jow n TRP 5 N -1.21 0.00 0.17 6.00 -0.00 -1.26 -4.78 117.44 116.36 2jow n TRP 5 Ca 0.01 0.00 0.17 0.00 -0.00 0.00 0.00 57.50 57.68 2jow n TRP 5 Cb 0.01 0.00 0.78 0.00 -0.00 0.00 0.00 31.31 32.11 2jow n TRP 5 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 2jow h SER 6 N 0.00 0.00 0.00 5.87 0.87 -1.89 0.16 113.55 118.56 2jow h SER 6 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jow h SER 6 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2jow h SER 6 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 2jow n GLY 7 N -1.46 -0.69 2.04 5.77 0.00 -1.25 -3.99 105.19 105.60 2jow n GLY 7 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2jow n GLY 7 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2jow n TYR 8 N -0.91 -1.94 -0.15 1.61 9.36 -0.41 -4.94 117.16 119.78 2jow n TYR 8 Ca 0.14 0.35 0.08 0.00 3.32 0.00 0.00 57.90 61.79 2jow n TYR 8 Cb 0.06 1.07 0.39 0.00 -0.63 0.00 0.00 39.34 40.24 2jow n TYR 8 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2jow h LEU 9 N 0.00 0.58 0.00 2.98 7.12 -0.96 -2.79 115.31 122.25 2jow h LEU 9 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2jow h LEU 9 Cb 0.00 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.01 2jow h LEU 9 CO 0.00 0.37 0.00 -0.67 -0.13 0.00 0.00 178.44 178.01 2jow n ASP 10 N -4.48 0.00 0.00 1.25 2.03 -1.26 -0.73 116.55 113.37 2jow n ASP 10 Ca 0.10 -0.51 0.00 0.00 0.52 0.00 0.00 54.79 54.90 2jow n ASP 10 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 2jow n ASP 10 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2jow n ASP 11 N -0.82 1.01 -0.03 1.67 2.03 -1.05 -4.34 116.55 115.02 2jow n ASP 11 Ca 0.06 -1.34 -0.04 0.00 0.52 0.00 0.00 54.79 53.99 2jow n ASP 11 Cb 0.03 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.40 2jow n ASP 11 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2jow n VAL 12 N -0.17 0.31 0.07 5.18 0.31 -0.18 -4.15 118.33 119.69 2jow n VAL 12 Ca 0.00 -0.11 -0.21 0.00 -0.01 0.00 0.00 64.34 64.01 2jow n VAL 12 Cb 0.21 -0.84 -0.15 0.00 -0.91 0.00 0.00 33.84 32.15 2jow n VAL 12 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2jow h SER 13 N -0.04 0.54 0.48 4.52 0.87 -1.24 -3.34 113.55 115.34 2jow h SER 13 Ca -0.13 -0.94 -0.01 0.00 -1.23 0.00 0.00 61.79 59.49 2jow h SER 13 Cb 1.18 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2jow h SER 13 CO -0.03 1.49 -0.05 0.00 -0.53 0.00 0.00 176.83 177.71 2jow h ALA 14 N 0.08 1.11 -0.59 6.23 0.00 -1.76 -2.00 119.26 122.33 2jow h ALA 14 Ca -0.19 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.80 2jow h ALA 14 Cb 1.77 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.45 2jow h ALA 14 CO 0.17 0.06 -0.04 -0.22 0.00 0.00 0.00 179.25 179.22 2jow h LYS 15 N 0.00 0.08 0.22 0.00 3.64 -1.72 -0.72 116.57 118.07 2jow h LYS 15 Ca -0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2jow h LYS 15 Cb 0.30 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2jow h LYS 15 CO 0.01 0.05 -0.11 0.35 -2.27 0.00 0.00 179.45 177.48 2jow h PHE 16 N 0.08 -0.28 0.00 1.91 3.57 -1.56 -2.97 116.94 117.69 2jow h PHE 16 Ca 0.30 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 2jow h PHE 16 Cb 0.48 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 2jow h PHE 16 CO -0.39 0.04 -0.03 0.22 -2.23 0.00 0.00 178.31 175.92 2jow h ASP 17 N -0.60 0.00 0.17 0.41 3.58 -0.94 0.10 116.42 119.14 2jow h ASP 17 Ca -0.03 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.07 2jow h ASP 17 Cb 0.44 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.43 2jow h ASP 17 CO 0.05 0.03 -2.14 1.07 -2.88 0.00 0.00 179.24 175.37 2jow n THR 18 N -3.79 1.54 -0.11 2.25 5.66 -0.36 -3.51 114.28 115.96 2jow n THR 18 Ca -0.03 -0.75 -0.12 0.00 -3.05 0.00 0.00 64.05 60.10 2jow n THR 18 Cb 0.12 -1.03 -0.03 0.00 -1.55 0.00 0.00 70.33 67.83 2jow n THR 18 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2jow h GLY 19 N 2.98 0.81 0.77 1.09 0.00 -1.25 -2.16 103.07 105.31 2jow h GLY 19 Ca -0.45 -0.74 0.06 0.00 0.00 0.00 0.00 47.33 46.19 2jow h GLY 19 CO 0.03 0.68 0.61 -0.24 0.00 0.00 0.00 176.54 177.61 2jow h VAL 20 N 0.52 1.09 0.00 4.60 3.04 -1.03 -2.71 116.25 121.76 2jow h VAL 20 Ca 0.07 -0.39 -0.04 0.00 -1.01 0.00 0.00 66.70 65.34 2jow h VAL 20 Cb 0.74 -0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 29.89 2jow h VAL 20 CO 0.06 0.20 -0.20 -0.78 -1.01 0.00 0.00 177.57 175.84 2jow h ASP 21 N 1.12 0.00 0.61 3.17 3.58 -1.52 0.36 116.42 123.74 2jow h ASP 21 Ca 0.40 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.78 2jow h ASP 21 Cb 0.13 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 2jow h ASP 21 CO -0.16 0.20 -0.34 0.78 -2.88 0.00 0.00 179.24 176.85 2jow h ASN 22 N 0.00 0.00 0.12 2.28 2.35 -1.07 0.20 115.58 119.46 2jow h ASN 22 Ca -0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.59 2jow h ASN 22 Cb 0.68 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.06 2jow h ASN 22 CO 0.03 0.34 -0.73 0.25 -1.65 0.00 0.00 177.43 175.66 2jow h LEU 23 N 0.00 0.38 -0.41 1.61 7.12 -1.19 -3.28 115.31 119.54 2jow h LEU 23 Ca -0.00 -0.95 0.05 0.00 0.13 0.00 0.00 57.88 57.11 2jow h LEU 23 Cb 0.73 -0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.69 2jow h LEU 23 CO 0.04 1.35 0.15 -0.61 -0.13 0.00 0.00 178.44 179.24 2jow h GLN 24 N -0.48 0.31 -0.48 1.25 5.75 -0.24 0.93 115.11 122.16 2jow h GLN 24 Ca -0.13 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.39 2jow h GLN 24 Cb 1.54 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.98 2jow h GLN 24 CO 0.12 0.21 0.24 0.00 -2.65 0.00 0.00 178.83 176.74 2jow h THR 25 N 0.32 0.95 0.08 2.39 1.03 -0.79 0.26 112.91 117.15 2jow h THR 25 Ca 0.19 -0.16 0.01 0.00 -0.01 0.00 0.00 66.41 66.44 2jow h THR 25 Cb 0.17 0.45 -0.01 0.00 -1.07 0.00 0.00 68.15 67.68 2jow h THR 25 CO -0.19 0.09 -0.09 1.56 -0.01 0.00 0.00 175.52 176.88 2jow h GLN 26 N 0.47 -0.18 -0.66 0.00 4.20 -1.48 0.72 115.11 118.18 2jow h GLN 26 Ca 0.21 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.87 2jow h GLN 26 Cb 0.13 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 2jow h GLN 26 CO -0.15 -0.12 0.18 -0.39 -0.67 0.00 0.00 178.83 177.67 2jow h VAL 27 N -0.19 1.25 0.00 -0.54 -1.51 -0.52 -2.17 116.25 112.57 2jow h VAL 27 Ca 0.01 -0.90 -0.07 0.00 -1.23 0.00 0.00 66.70 64.52 2jow h VAL 27 Cb 0.19 0.55 -0.01 0.00 -2.13 0.00 0.00 31.29 29.90 2jow h VAL 27 CO -0.04 0.34 -0.32 0.74 -1.23 0.00 0.00 177.57 177.07 2jow h THR 28 N 0.98 0.95 0.01 7.19 2.02 -0.22 0.68 112.91 124.52 2jow h THR 28 Ca 0.21 -1.20 -0.20 0.00 0.77 0.00 0.00 66.41 65.99 2jow h THR 28 Cb 0.32 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 2jow h THR 28 CO -0.00 0.31 -0.96 -0.33 0.37 0.00 0.00 175.52 174.91 2jow h GLU 29 N 0.00 0.02 -0.77 6.66 5.08 -0.48 0.57 114.58 125.66 2jow h GLU 29 Ca -0.00 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2jow h GLU 29 Cb 0.68 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 2jow h GLU 29 CO 0.04 0.96 0.27 0.00 -1.00 0.00 0.00 179.01 179.28 2jow h ALA 30 N 1.03 1.00 -0.06 3.43 0.00 -0.87 -2.51 119.26 121.28 2jow h ALA 30 Ca -0.02 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2jow h ALA 30 Cb 1.69 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2jow h ALA 30 CO 0.13 0.66 -0.33 1.25 0.00 0.00 0.00 179.25 180.96 2jow h LEU 31 N 1.13 0.11 -1.87 0.00 5.85 -0.75 -0.95 115.31 118.84 2jow h LEU 31 Ca 0.25 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2jow h LEU 31 Cb 0.27 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2jow h LEU 31 CO -0.01 0.44 0.08 -0.78 -0.34 0.00 0.00 178.44 177.83 2jow h ASP 32 N 0.09 0.15 0.00 1.25 3.58 0.58 0.40 116.42 122.48 2jow h ASP 32 Ca 0.01 -0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.24 2jow h ASP 32 Cb 0.63 -0.04 0.02 0.00 1.72 0.00 0.00 39.33 41.66 2jow h ASP 32 CO 0.05 0.11 -0.85 0.11 -2.88 0.00 0.00 179.24 175.78 2jow h LYS 33 N 0.18 0.57 -0.29 0.28 1.79 -1.23 -3.28 116.57 114.59 2jow h LYS 33 Ca 0.05 -0.62 -0.18 0.00 -2.18 0.00 0.00 60.65 57.72 2jow h LYS 33 Cb -0.02 0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.81 2jow h LYS 33 CO -0.01 1.23 -0.53 1.25 -1.08 0.00 0.00 179.45 180.31 2jow h LEU 34 N 0.16 0.96 -2.63 2.94 6.46 0.27 -0.50 115.31 122.96 2jow h LEU 34 Ca -0.11 -0.51 0.01 0.00 -0.12 0.00 0.00 57.88 57.15 2jow h LEU 34 Cb 1.53 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 41.18 2jow h LEU 34 CO 0.17 1.30 0.10 0.00 -0.62 0.00 0.00 178.44 179.39 2jow h ALA 35 N 0.72 1.22 0.00 1.25 0.00 -0.44 -1.23 119.26 120.77 2jow h ALA 35 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jow h ALA 35 Cb 1.14 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jow h ALA 35 CO 0.12 -0.11 -0.10 0.00 0.00 0.00 0.00 179.25 179.16 2jow h ALA 36 N 1.82 0.00 -2.40 0.00 0.00 -1.21 -3.45 119.26 114.01 2jow h ALA 36 Ca 0.01 -0.11 -0.59 0.00 0.00 0.00 0.00 54.91 54.22 2jow h ALA 36 Cb 0.21 0.10 -0.39 0.00 0.00 0.00 0.00 17.79 17.71 2jow h ALA 36 CO -0.00 0.10 -0.92 1.17 0.00 0.00 0.00 179.25 179.60 2jow n LYS 37 N -4.75 0.62 0.32 0.00 0.00 -0.38 -5.05 118.16 108.92 2jow n LYS 37 Ca -0.02 -3.44 0.21 0.00 0.00 0.00 0.00 58.31 55.06 2jow n LYS 37 Cb 0.06 -1.71 1.06 0.00 0.00 0.00 0.00 35.03 34.43 2jow n LYS 37 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2jow h PRO 38 N 5.26 0.00 -1.34 1.64 0.13 -1.45 -2.13 132.00 134.12 2jow h PRO 38 Ca 0.22 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.83 2jow h PRO 38 Cb 0.87 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.59 2jow h PRO 38 CO 0.46 0.00 -0.89 -1.13 -0.23 0.00 0.00 178.00 176.21 2jow n SER 39 N -3.11 3.60 -4.38 1.44 3.41 -1.26 -4.72 113.62 108.60 2jow n SER 39 Ca -0.02 -3.38 -0.45 0.00 -0.26 0.00 0.00 58.87 54.76 2jow n SER 39 Cb 0.14 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 63.60 2jow n SER 39 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jow s ASP 40 N -3.40 7.06 0.00 4.04 2.15 -0.80 -4.93 116.67 120.79 2jow s ASP 40 Ca 0.41 -3.07 0.04 0.00 0.43 0.00 0.00 52.55 50.36 2jow s ASP 40 Cb 0.42 -2.28 0.19 0.00 -0.30 0.00 0.00 42.92 40.95 2jow s ASP 40 CO -0.11 -0.56 0.89 -0.81 -0.17 0.00 0.00 175.17 174.41 2jow n PRO 41 N 4.19 0.07 0.00 4.34 -0.04 -1.26 -0.54 135.00 141.75 2jow n PRO 41 Ca 0.25 0.20 -0.08 0.00 -0.04 0.00 0.00 63.50 63.82 2jow n PRO 41 Cb 0.43 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.32 2jow n PRO 41 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jow h ALA 42 N 2.19 -0.12 -0.62 0.55 0.00 -1.96 0.22 119.26 119.52 2jow h ALA 42 Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 2jow h ALA 42 Cb 0.03 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2jow h ALA 42 CO 0.00 -0.15 0.16 1.37 0.00 0.00 0.00 179.25 180.63 2jow h LEU 43 N -0.95 0.93 -0.41 0.00 8.10 -1.75 -2.92 115.31 118.32 2jow h LEU 43 Ca -0.01 -0.23 -0.01 0.00 0.11 0.00 0.00 57.88 57.74 2jow h LEU 43 Cb 0.50 -0.24 -0.02 0.00 -0.44 0.00 0.00 40.66 40.45 2jow h LEU 43 CO 0.02 0.91 0.22 0.25 -4.11 0.00 0.00 178.44 175.73 2jow h LEU 44 N 0.90 0.51 -0.38 0.17 6.46 -0.94 -2.64 115.31 119.39 2jow h LEU 44 Ca 0.20 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2jow h LEU 44 Cb 0.34 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 2jow h LEU 44 CO -0.00 0.46 0.00 0.00 -0.62 0.00 0.00 178.44 178.28 2jow h ALA 45 N 1.07 1.00 -0.58 1.25 0.00 -0.44 0.29 119.26 121.86 2jow h ALA 45 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2jow h ALA 45 Cb 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2jow h ALA 45 CO -0.02 0.00 0.25 0.00 0.00 0.00 0.00 179.25 179.47 2jow h ALA 46 N 2.11 1.35 0.33 0.00 0.00 -1.33 0.40 119.26 122.12 2jow h ALA 46 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2jow h ALA 46 Cb 0.80 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2jow h ALA 46 CO 0.00 0.49 -0.16 -0.92 0.00 0.00 0.00 179.25 178.67 2jow h TYR 47 N 0.82 -0.41 -0.21 0.00 3.20 -0.26 0.12 116.97 120.22 2jow h TYR 47 Ca 0.20 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.12 2jow h TYR 47 Cb 0.14 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 2jow h TYR 47 CO 0.01 -0.12 0.28 1.96 -1.64 0.00 0.00 178.16 178.65 2jow h GLN 48 N -0.67 0.00 0.00 1.82 1.08 -0.26 0.18 115.11 117.26 2jow h GLN 48 Ca -0.05 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2jow h GLN 48 Cb 0.47 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2jow h GLN 48 CO 0.07 0.00 -0.00 0.77 -0.95 0.00 0.00 178.83 178.72 2jow h SER 49 N 0.00 -0.00 -0.20 1.46 0.02 -0.11 -3.28 113.55 111.43 2jow h SER 49 Ca 0.10 -0.65 -0.05 0.00 -0.84 0.00 0.00 61.79 60.35 2jow h SER 49 Cb 0.66 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 2jow h SER 49 CO -0.00 0.82 -0.01 0.11 -1.14 0.00 0.00 176.83 176.60 2jow h LYS 50 N -0.99 0.49 -0.72 3.45 1.79 0.52 0.15 116.57 121.25 2jow h LYS 50 Ca -0.00 -0.10 0.12 0.00 -2.18 0.00 0.00 60.65 58.48 2jow h LYS 50 Cb 0.65 -0.07 -0.08 0.00 -1.58 0.00 0.00 32.23 31.15 2jow h LYS 50 CO 0.00 0.53 0.31 1.25 -1.08 0.00 0.00 179.45 180.46 2jow h LEU 51 N 0.47 0.35 -0.02 2.94 6.46 -0.90 0.19 115.31 124.79 2jow h LEU 51 Ca 0.10 0.09 -0.22 0.00 -0.12 0.00 0.00 57.88 57.72 2jow h LEU 51 Cb 0.33 0.04 0.02 0.00 -0.73 0.00 0.00 40.66 40.31 2jow h LEU 51 CO 0.01 0.17 -0.86 0.28 -0.62 0.00 0.00 178.44 177.42 2jow h SER 52 N 0.50 0.80 -0.38 1.25 0.02 -1.32 -3.09 113.55 111.33 2jow h SER 52 Ca 0.38 -0.73 0.02 0.00 -0.84 0.00 0.00 61.79 60.62 2jow h SER 52 Cb 0.50 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2jow h SER 52 CO -0.34 1.42 0.26 -0.33 -1.14 0.00 0.00 176.83 176.69 2jow h GLU 53 N 0.26 0.46 -0.34 3.45 4.39 -0.17 0.53 114.58 123.16 2jow h GLU 53 Ca -0.10 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.43 2jow h GLU 53 Cb 1.53 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 30.06 2jow h GLU 53 CO 0.17 0.30 -0.34 -0.92 -1.16 0.00 0.00 179.01 177.06 2jow h TYR 54 N 0.47 0.89 0.00 4.33 3.20 -0.71 0.24 116.97 125.39 2jow h TYR 54 Ca 0.15 -0.24 -0.06 0.00 3.14 0.00 0.00 58.73 61.72 2jow h TYR 54 Cb 0.02 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 2jow h TYR 54 CO -0.00 0.99 -0.28 -0.97 -1.64 0.00 0.00 178.16 176.27 2jow h ASN 55 N 0.63 0.00 -0.01 -2.11 -1.24 -1.15 -1.50 115.58 110.20 2jow h ASN 55 Ca 0.06 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.89 2jow h ASN 55 Cb 0.88 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.93 2jow h ASN 55 CO 0.08 0.28 -0.63 -0.07 -1.29 0.00 0.00 177.43 175.79 2jow h LEU 56 N 0.00 0.71 -0.64 0.34 4.07 -0.46 0.16 115.31 119.48 2jow h LEU 56 Ca -0.00 -0.41 0.07 0.00 0.08 0.00 0.00 57.88 57.62 2jow h LEU 56 Cb 0.66 -0.21 -0.06 0.00 1.08 0.00 0.00 40.66 42.13 2jow h LEU 56 CO 0.04 1.16 0.32 0.22 -1.08 0.00 0.00 178.44 179.10 2jow h TYR 57 N 0.46 0.58 -0.86 1.13 3.20 -0.17 0.11 116.97 121.41 2jow h TYR 57 Ca -0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 2jow h TYR 57 Cb 1.21 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.27 2jow h TYR 57 CO 0.06 0.24 0.45 -0.09 -1.64 0.00 0.00 178.16 177.18 2jow h ARG 58 N 0.58 1.21 -0.35 1.82 9.65 -1.10 0.37 114.38 126.56 2jow h ARG 58 Ca 0.30 -0.16 -0.08 0.00 -1.10 0.00 0.00 59.98 58.95 2jow h ARG 58 Cb 0.27 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 2jow h ARG 58 CO -0.23 0.90 -0.10 -0.97 2.80 0.00 0.00 179.97 182.38 2jow h ASN 59 N 1.21 0.69 -0.86 -3.80 -1.24 -0.03 -2.49 115.58 109.06 2jow h ASN 59 Ca 0.30 -0.37 -0.02 0.00 0.71 0.00 0.00 56.30 56.92 2jow h ASN 59 Cb 0.06 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 38.88 2jow h ASN 59 CO -0.04 0.90 0.47 0.00 -1.29 0.00 0.00 177.43 177.47 2jow h ALA 60 N 0.81 1.11 0.00 1.57 0.00 -0.66 -1.30 119.26 120.79 2jow h ALA 60 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jow h ALA 60 Cb 0.61 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jow h ALA 60 CO 0.04 0.62 0.00 0.94 0.00 0.00 0.00 179.25 180.84 2jow n GLN 61 N -4.36 0.84 -0.79 0.00 7.27 0.11 -0.93 117.38 119.52 2jow n GLN 61 Ca 0.09 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.16 2jow n GLN 61 Cb 0.10 -1.23 -0.00 0.00 2.41 0.00 0.00 30.24 31.51 2jow n GLN 61 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2jow n SER 62 N 0.35 0.09 0.01 1.69 2.88 -0.52 -4.80 113.62 113.32 2jow n SER 62 Ca 0.00 -1.76 0.00 0.00 -1.33 0.00 0.00 58.87 55.78 2jow n SER 62 Cb 0.33 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 2jow n SER 62 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2jow n ASN 63 N 0.11 0.07 -0.27 -3.46 2.85 -0.10 -4.72 115.26 109.73 2jow n ASN 63 Ca -0.02 0.04 0.08 0.00 -0.11 0.00 0.00 54.58 54.57 2jow n ASN 63 Cb 0.75 -0.00 0.23 0.00 1.24 0.00 0.00 39.78 42.00 2jow n ASN 63 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jow h THR 64 N 0.00 0.52 -0.53 -0.44 1.03 -1.45 0.12 112.91 112.16 2jow h THR 64 Ca 0.00 -0.12 0.15 0.00 -0.01 0.00 0.00 66.41 66.43 2jow h THR 64 Cb 0.50 0.14 -0.02 0.00 -1.07 0.00 0.00 68.15 67.70 2jow h THR 64 CO 0.00 0.06 0.50 0.58 -0.01 0.00 0.00 175.52 176.66 2jow h VAL 65 N 0.35 0.42 -0.05 0.00 2.07 -1.87 0.05 116.25 117.22 2jow h VAL 65 Ca 0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.99 2jow h VAL 65 Cb 0.82 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2jow h VAL 65 CO -0.50 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.38 2jow n LYS 66 N -3.84 2.30 -0.02 1.57 5.02 0.29 -4.34 118.16 119.13 2jow n LYS 66 Ca 0.10 -2.10 -0.03 0.00 -2.02 0.00 0.00 58.31 54.27 2jow n LYS 66 Cb 0.71 -1.30 -0.03 0.00 -0.02 0.00 0.00 35.03 34.40 2jow n LYS 66 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2jow n VAL 67 N -0.79 0.30 0.29 -0.18 0.31 -0.24 -4.15 118.33 113.87 2jow n VAL 67 Ca 0.09 -0.16 0.17 0.00 -0.01 0.00 0.00 64.34 64.42 2jow n VAL 67 Cb 0.48 -0.84 0.85 0.00 -0.91 0.00 0.00 33.84 33.42 2jow n VAL 67 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2jow h PHE 68 N 0.00 0.00 -0.41 3.52 0.04 -1.28 0.10 116.94 118.91 2jow h PHE 68 Ca -0.12 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.59 2jow h PHE 68 Cb 1.24 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.37 2jow h PHE 68 CO 0.00 0.06 -0.01 -0.22 -0.60 0.00 0.00 178.31 177.54 2jow h LYS 69 N 0.00 0.67 -0.01 1.51 3.11 -1.76 0.43 116.57 120.52 2jow h LYS 69 Ca -0.00 -0.17 -0.19 0.00 -2.81 0.00 0.00 60.65 57.48 2jow h LYS 69 Cb 0.29 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.42 2jow h LYS 69 CO 0.01 0.69 -0.84 0.22 -2.81 0.00 0.00 179.45 176.72 2jow h ASP 70 N 0.63 0.32 -0.52 4.20 3.58 -1.06 -0.02 116.42 123.55 2jow h ASP 70 Ca 0.13 -0.24 -0.04 0.00 0.42 0.00 0.00 57.03 57.29 2jow h ASP 70 Cb 0.41 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 2jow h ASP 70 CO 0.02 1.02 0.15 -0.29 -2.88 0.00 0.00 179.24 177.26 2jow h ILE 71 N 0.15 1.23 -0.28 2.25 -0.00 -0.73 -1.71 117.51 118.41 2jow h ILE 71 Ca -0.04 -0.80 -0.07 0.00 -0.00 0.00 0.00 64.86 63.95 2jow h ILE 71 Cb 1.45 0.77 -0.02 0.00 -0.00 0.00 0.00 36.82 39.02 2jow h ILE 71 CO 0.13 0.29 -0.12 -0.78 -0.00 0.00 0.00 178.15 177.68 2jow h ASP 72 N 0.72 0.46 0.01 2.19 3.58 -0.91 -1.90 116.42 120.57 2jow h ASP 72 Ca 0.17 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 2jow h ASP 72 Cb 0.29 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 2jow h ASP 72 CO -0.00 0.62 -0.04 0.00 -2.88 0.00 0.00 179.24 176.93 2jow h ALA 73 N 1.44 1.81 -0.09 -0.78 0.00 -0.66 0.57 119.26 121.55 2jow h ALA 73 Ca 0.08 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2jow h ALA 73 Cb 0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2jow h ALA 73 CO 0.03 0.14 -0.49 0.00 0.00 0.00 0.00 179.25 178.93 2jow h ALA 74 N 1.87 1.01 -0.58 0.00 0.00 -0.55 -0.97 119.26 120.04 2jow h ALA 74 Ca 0.02 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 2jow h ALA 74 Cb 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2jow h ALA 74 CO 0.01 0.65 -0.03 0.82 0.00 0.00 0.00 179.25 180.70 2jow h ILE 75 N 0.18 1.27 -0.81 0.00 2.04 -0.64 -2.63 117.51 116.92 2jow h ILE 75 Ca 0.01 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 64.72 2jow h ILE 75 Cb 0.94 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 2jow h ILE 75 CO 0.08 0.42 0.52 -0.07 0.00 0.00 0.00 178.15 179.10 2jow h LEU 76 N 0.94 0.87 0.00 1.44 4.07 -0.81 -0.26 115.31 121.56 2jow h LEU 76 Ca 0.16 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.11 2jow h LEU 76 Cb 0.59 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.13 2jow h LEU 76 CO 0.04 0.60 0.00 1.21 -1.08 0.00 0.00 178.44 179.21 2jow n GLU 77 N -4.57 0.33 -0.07 1.13 4.07 -0.38 -2.52 120.64 118.62 2jow n GLU 77 Ca 0.09 0.02 0.04 0.00 -0.06 0.00 0.00 57.16 57.25 2jow n GLU 77 Cb 0.07 -1.50 0.06 0.00 -0.06 0.00 0.00 31.44 30.01 2jow n GLU 77 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 2jow n HIS 78 N -1.03 0.00 0.32 4.31 -0.00 -0.14 -4.89 115.22 113.79 2jow n HIS 78 Ca 0.08 -0.62 0.20 0.00 0.46 0.00 0.00 57.72 57.84 2jow n HIS 78 Cb 0.04 -0.09 1.08 0.00 -0.12 0.00 0.00 29.99 30.90 2jow n HIS 78 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2jow h HIS 79 N 0.00 0.00 -2.68 1.57 6.17 -1.18 -3.45 115.15 115.58 2jow h HIS 79 Ca 0.00 0.00 -0.59 0.00 0.71 0.00 0.00 60.37 60.49 2jow h HIS 79 Cb 0.82 0.00 0.09 0.00 2.52 0.00 0.00 27.41 30.84 2jow h HIS 79 CO 0.01 0.00 0.51 0.72 0.71 0.00 0.00 177.93 179.88 2jow n HIS 80 N -2.96 2.00 -0.36 5.26 8.25 -1.26 -4.93 115.22 121.22 2jow n HIS 80 Ca -0.03 0.51 0.00 0.00 -0.26 0.00 0.00 57.72 57.94 2jow n HIS 80 Cb 0.14 -2.41 0.00 0.00 1.12 0.00 0.00 29.99 28.84 2jow n HIS 80 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jow n HIS 81 N 1.41 0.00 -3.77 4.41 -0.00 -1.26 -5.11 115.22 110.90 2jow n HIS 81 Ca 0.11 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.19 2jow n HIS 81 Cb 0.32 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.13 2jow n HIS 81 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jow s HIS 82 N -0.05 0.01 -1.46 1.57 5.65 -1.26 -5.35 115.29 114.40 2jow s HIS 82 Ca 0.00 -0.37 0.00 0.00 0.25 0.00 0.00 55.06 54.94 2jow s HIS 82 Cb 0.00 0.18 0.00 0.00 -1.18 0.00 0.00 32.58 31.58 2jow s HIS 82 CO 0.00 -0.75 0.36 0.72 -0.65 0.00 0.00 174.74 174.43