#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5j n PHE 14 N 0.00 0.00 -0.11 -1.42 -0.00 -1.26 -4.51 117.46 110.16 1i5j n PHE 14 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.32 1i5j n PHE 14 Cb 0.00 -0.58 -0.14 0.00 -0.00 0.00 0.00 39.48 38.76 1i5j n PHE 14 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1i5j n LEU 15 N -2.40 1.03 0.27 -2.13 4.77 -1.26 -4.33 117.00 112.95 1i5j n LEU 15 Ca -0.18 -0.05 0.10 0.00 -0.03 0.00 0.00 56.01 55.85 1i5j n LEU 15 Cb 0.84 0.01 0.72 0.00 -2.33 0.00 0.00 43.42 42.66 1i5j n LEU 15 CO 0.27 0.65 1.08 0.74 -1.33 0.00 0.00 177.39 178.79 1i5j h THR 16 N 0.00 0.86 0.00 -5.08 2.02 -2.01 -0.14 112.91 108.57 1i5j h THR 16 Ca -0.55 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 66.55 1i5j h THR 16 Cb 2.12 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 69.54 1i5j h THR 16 CO -0.01 0.01 -0.24 1.56 0.37 0.00 0.00 175.52 177.20 1i5j h GLN 17 N 0.00 0.00 0.19 6.66 4.20 -1.79 -2.45 115.11 121.92 1i5j h GLN 17 Ca -0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 1i5j h GLN 17 Cb 0.02 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.82 1i5j h GLN 17 CO 0.00 0.24 -1.38 0.28 -0.67 0.00 0.00 178.83 177.31 1i5j h VAL 18 N 0.00 1.37 0.80 -0.54 2.07 -1.25 -2.89 116.25 115.82 1i5j h VAL 18 Ca -0.00 -2.88 -0.04 0.00 0.82 0.00 0.00 66.70 64.60 1i5j h VAL 18 Cb 0.52 2.98 0.01 0.00 -1.52 0.00 0.00 31.29 33.28 1i5j h VAL 18 CO 0.03 0.85 -0.39 0.50 0.02 0.00 0.00 177.57 178.59 1i5j h LYS 19 N 0.11 -1.04 0.00 1.57 3.64 -1.25 0.42 116.57 120.02 1i5j h LYS 19 Ca -0.20 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1i5j h LYS 19 Cb 2.07 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 34.13 1i5j h LYS 19 CO 0.24 -0.69 0.01 0.93 -2.27 0.00 0.00 179.45 177.66 1i5j h GLU 20 N -1.23 0.00 0.00 1.90 4.39 -1.60 0.18 114.58 118.22 1i5j h GLU 20 Ca -0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1i5j h GLU 20 Cb 0.83 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1i5j h GLU 20 CO 0.18 0.00 -0.12 1.03 -1.16 0.00 0.00 179.01 178.94 1i5j h SER 21 N 0.00 0.00 -0.26 1.42 0.87 -1.20 -2.87 113.55 111.50 1i5j h SER 21 Ca 0.00 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1i5j h SER 21 Cb 0.02 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1i5j h SER 21 CO 0.00 0.55 0.18 0.25 -0.53 0.00 0.00 176.83 177.27 1i5j h LEU 22 N -0.97 0.27 -0.23 2.23 5.85 0.09 0.32 115.31 122.86 1i5j h LEU 22 Ca 0.00 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1i5j h LEU 22 Cb 0.12 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1i5j h LEU 22 CO 0.00 0.19 -0.08 -1.28 -0.34 0.00 0.00 178.44 176.93 1i5j h SER 23 N 0.32 0.47 0.59 1.25 0.87 -1.12 -2.83 113.55 113.10 1i5j h SER 23 Ca 0.10 -0.39 -0.08 0.00 -1.23 0.00 0.00 61.79 60.19 1i5j h SER 23 Cb 0.02 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1i5j h SER 23 CO -0.02 0.75 -0.39 0.28 -0.53 0.00 0.00 176.83 176.92 1i5j h SER 24 N 0.19 0.00 -0.64 6.23 0.02 -1.07 0.63 113.55 118.90 1i5j h SER 24 Ca 0.06 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.13 1i5j h SER 24 Cb 0.56 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.06 1i5j h SER 24 CO 0.03 0.39 0.43 0.22 -1.14 0.00 0.00 176.83 176.76 1i5j h TYR 25 N 0.00 0.40 0.00 3.45 5.03 -0.15 0.25 116.97 125.95 1i5j h TYR 25 Ca -0.00 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1i5j h TYR 25 Cb 0.79 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.94 1i5j h TYR 25 CO 0.00 0.17 -1.45 1.87 -1.32 0.00 0.00 178.16 177.44 1i5j n TRP 26 N -4.46 0.00 -0.04 -3.82 -0.00 -1.01 -4.39 117.44 103.72 1i5j n TRP 26 Ca 0.11 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.49 1i5j n TRP 26 Cb 0.45 -0.25 0.00 0.00 -0.00 0.00 0.00 31.31 31.51 1i5j n TRP 26 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 1i5j h GLU 27 N 0.00 0.72 -0.59 5.87 4.22 0.11 -2.43 114.58 122.48 1i5j h GLU 27 Ca 0.00 -0.46 -0.10 0.00 0.08 0.00 0.00 59.36 58.87 1i5j h GLU 27 Cb 0.55 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1i5j h GLU 27 CO 0.00 1.09 -0.03 1.03 -2.18 0.00 0.00 179.01 178.91 1i5j h SER 28 N 0.55 1.05 -0.21 1.04 0.87 -1.21 0.60 113.55 116.23 1i5j h SER 28 Ca 0.01 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.23 1i5j h SER 28 Cb 1.14 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 1i5j h SER 28 CO 0.12 1.11 0.08 0.00 -0.53 0.00 0.00 176.83 177.61 1i5j h ALA 29 N 0.97 1.62 0.00 6.23 0.00 -1.75 0.38 119.26 126.70 1i5j h ALA 29 Ca 0.16 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1i5j h ALA 29 Cb 0.60 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1i5j h ALA 29 CO 0.04 0.30 -0.51 0.87 0.00 0.00 0.00 179.25 179.94 1i5j h LYS 30 N 0.40 0.00 0.23 0.00 1.79 -0.86 -2.28 116.57 115.84 1i5j h LYS 30 Ca 0.10 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1i5j h LYS 30 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1i5j h LYS 30 CO -0.01 0.38 -0.11 1.15 -1.08 0.00 0.00 179.45 179.78 1i5j h THR 31 N 0.00 0.20 0.00 -0.16 2.02 0.23 -0.18 112.91 115.01 1i5j h THR 31 Ca -0.02 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 1i5j h THR 31 Cb 1.32 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1i5j h THR 31 CO 0.05 0.06 -0.06 0.00 0.37 0.00 0.00 175.52 175.94 1i5j h ALA 32 N -0.93 1.29 0.00 6.16 0.00 -0.48 0.89 119.26 126.19 1i5j h ALA 32 Ca -0.03 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1i5j h ALA 32 Cb 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1i5j h ALA 32 CO 0.05 0.08 -0.51 0.00 0.00 0.00 0.00 179.25 178.87 1i5j h ALA 33 N 1.94 0.70 -0.06 0.00 0.00 -1.43 -3.01 119.26 117.40 1i5j h ALA 33 Ca -0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1i5j h ALA 33 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1i5j h ALA 33 CO 0.01 0.57 -0.32 1.96 0.00 0.00 0.00 179.25 181.47 1i5j h GLN 34 N 0.00 0.32 -0.84 0.00 4.20 0.11 -3.22 115.11 115.68 1i5j h GLN 34 Ca -0.01 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.41 1i5j h GLN 34 Cb 1.35 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 29.15 1i5j h GLN 34 CO 0.06 0.91 0.43 -0.97 -0.67 0.00 0.00 178.83 178.59 1i5j h ASN 35 N -0.18 1.08 -0.75 1.46 -0.73 -1.49 0.83 115.58 115.80 1i5j h ASN 35 Ca -0.02 -0.12 0.06 0.00 1.87 0.00 0.00 56.30 58.09 1i5j h ASN 35 Cb 0.98 -0.28 -0.05 0.00 0.27 0.00 0.00 38.32 39.25 1i5j h ASN 35 CO 0.07 0.89 0.49 0.25 -0.37 0.00 0.00 177.43 178.76 1i5j h LEU 36 N 1.19 0.70 0.00 0.34 5.85 -1.57 -3.41 115.31 118.40 1i5j h LEU 36 Ca 0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.02 1i5j h LEU 36 Cb 0.08 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1i5j h LEU 36 CO -0.04 0.45 0.00 -1.22 -0.34 0.00 0.00 178.44 177.29 1i5j n TYR 37 N -4.48 0.00 -0.06 1.25 4.01 -1.11 -4.89 117.16 111.89 1i5j n TYR 37 Ca 0.11 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.71 1i5j n TYR 37 Cb 0.22 0.01 -0.12 0.00 -0.31 0.00 0.00 39.34 39.14 1i5j n TYR 37 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1i5j h GLU 38 N 0.00 0.01 -0.13 -0.72 4.39 0.37 -1.39 114.58 117.12 1i5j h GLU 38 Ca 0.00 -0.02 -0.20 0.00 0.34 0.00 0.00 59.36 59.48 1i5j h GLU 38 Cb 0.09 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1i5j h GLU 38 CO 0.00 0.91 -0.74 1.57 -1.16 0.00 0.00 179.01 179.59 1i5j h LYS 39 N -0.87 0.61 0.00 2.33 2.10 -0.63 -3.02 116.57 117.09 1i5j h LYS 39 Ca -0.00 -0.49 -0.02 0.00 -2.00 0.00 0.00 60.65 58.14 1i5j h LYS 39 Cb 0.92 0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 32.34 1i5j h LYS 39 CO 0.01 1.11 -0.11 1.15 -2.00 0.00 0.00 179.45 179.60 1i5j h THR 40 N 0.42 0.24 -0.94 0.07 2.02 -1.75 -1.87 112.91 111.10 1i5j h THR 40 Ca -0.04 -0.93 0.05 0.00 0.77 0.00 0.00 66.41 66.27 1i5j h THR 40 Cb 1.33 1.75 -0.06 0.00 -1.74 0.00 0.00 68.15 69.44 1i5j h THR 40 CO 0.14 0.11 0.61 0.22 0.37 0.00 0.00 175.52 176.97 1i5j h TYR 41 N 0.00 1.12 0.00 3.16 3.20 -1.11 -3.42 116.97 119.92 1i5j h TYR 41 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1i5j h TYR 41 Cb 0.75 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1i5j h TYR 41 CO 0.00 0.61 0.00 1.28 -1.64 0.00 0.00 178.16 178.41 1i5j n LEU 42 N -4.47 -0.92 -3.28 2.82 4.77 -1.20 -4.96 117.00 109.77 1i5j n LEU 42 Ca 0.14 0.53 -0.27 0.00 -0.03 0.00 0.00 56.01 56.37 1i5j n LEU 42 Cb 0.15 1.04 -0.02 0.00 -2.33 0.00 0.00 43.42 42.26 1i5j n LEU 42 CO 0.34 -0.56 2.37 -0.81 -1.33 0.00 0.00 177.39 177.40 1i5j n PRO 43 N -3.38 2.07 -0.40 3.23 -0.04 -0.73 -3.43 135.00 132.33 1i5j n PRO 43 Ca 0.00 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 61.87 1i5j n PRO 43 Cb 0.00 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 1i5j n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i5j n ALA 44 N 4.83 1.80 -0.13 0.55 0.00 -1.08 -4.54 120.51 121.94 1i5j n ALA 44 Ca 0.47 -0.21 -0.18 0.00 0.00 0.00 0.00 53.44 53.51 1i5j n ALA 44 Cb 0.19 -0.10 -0.12 0.00 0.00 0.00 0.00 19.45 19.43 1i5j n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1i5j n VAL 45 N 0.00 1.49 -0.11 0.00 0.31 -1.22 -3.83 118.33 114.97 1i5j n VAL 45 Ca 0.00 -0.56 -0.13 0.00 -0.01 0.00 0.00 64.34 63.63 1i5j n VAL 45 Cb 0.54 -1.43 -0.03 0.00 -0.91 0.00 0.00 33.84 32.01 1i5j n VAL 45 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1i5j h ASP 46 N -0.03 0.90 0.52 4.52 3.32 -1.91 -2.19 116.42 121.55 1i5j h ASP 46 Ca -0.58 -0.46 -0.03 0.00 0.02 0.00 0.00 57.03 55.98 1i5j h ASP 46 Cb 1.89 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 41.19 1i5j h ASP 46 CO -0.10 1.18 -0.25 -0.33 -1.72 0.00 0.00 179.24 178.02 1i5j h GLU 47 N 0.64 -0.67 -0.98 3.56 5.08 -1.78 0.69 114.58 121.12 1i5j h GLU 47 Ca 0.06 0.05 0.22 0.00 -1.00 0.00 0.00 59.36 58.69 1i5j h GLU 47 Cb 0.91 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 30.23 1i5j h GLU 47 CO 0.08 -0.41 0.63 0.87 -1.00 0.00 0.00 179.01 179.18 1i5j h LYS 48 N -0.79 0.48 0.00 2.33 1.79 -1.66 0.95 116.57 119.68 1i5j h LYS 48 Ca -0.07 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1i5j h LYS 48 Cb 0.57 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1i5j h LYS 48 CO 0.12 0.32 -0.32 1.47 -1.08 0.00 0.00 179.45 179.96 1i5j n LEU 49 N -4.62 0.53 -3.06 2.94 -0.00 -0.83 -4.73 117.00 107.24 1i5j n LEU 49 Ca 0.22 0.32 0.04 0.00 -0.00 0.00 0.00 56.01 56.59 1i5j n LEU 49 Cb 0.73 -0.30 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1i5j n LEU 49 CO 0.26 -0.03 0.45 0.00 -0.00 0.00 0.00 177.39 178.07 1i5j s ARG 50 N -3.08 0.22 0.00 1.47 1.70 0.31 -5.03 118.95 114.54 1i5j s ARG 50 Ca 0.10 0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.47 1i5j s ARG 50 Cb 0.15 0.07 0.00 0.00 -0.57 0.00 0.00 34.95 34.60 1i5j s ARG 50 CO 0.65 -0.38 0.00 -3.47 -1.08 0.00 0.00 175.30 171.01 1i5j n ASP 51 N 4.75 0.00 -0.05 -2.89 2.03 -0.23 -4.02 116.55 116.14 1i5j n ASP 51 Ca 0.08 0.00 0.25 0.00 0.52 0.00 0.00 54.79 55.64 1i5j n ASP 51 Cb 0.59 0.20 0.64 0.00 -0.72 0.00 0.00 41.12 41.82 1i5j n ASP 51 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1i5j h LEU 52 N 0.00 0.00 0.02 -2.67 -0.00 -1.92 0.75 115.31 111.49 1i5j h LEU 52 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1i5j h LEU 52 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1i5j h LEU 52 CO 0.00 0.00 -0.01 0.22 -0.00 0.00 0.00 178.44 178.65 1i5j h TYR 53 N 0.00 -0.03 -0.13 0.17 3.20 -1.91 0.61 116.97 118.89 1i5j h TYR 53 Ca 0.33 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 1i5j h TYR 53 Cb 1.87 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 40.15 1i5j h TYR 53 CO 0.00 0.14 0.00 0.45 -1.64 0.00 0.00 178.16 177.12 1i5j n SER 54 N -4.77 2.04 0.01 -2.11 2.88 -0.30 -1.29 113.62 110.07 1i5j n SER 54 Ca -0.02 -2.20 0.00 0.00 -1.33 0.00 0.00 58.87 55.32 1i5j n SER 54 Cb 0.09 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 1i5j n SER 54 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1i5j n LYS 55 N 0.13 0.00 -0.24 -1.46 5.02 0.25 -4.04 118.16 117.82 1i5j n LYS 55 Ca 0.06 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.45 1i5j n LYS 55 Cb 0.46 0.00 0.27 0.00 -0.02 0.00 0.00 35.03 35.74 1i5j n LYS 55 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1i5j n SER 56 N -2.53 3.04 0.00 4.39 7.64 0.19 -2.56 113.62 123.79 1i5j n SER 56 Ca 0.00 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 57.92 1i5j n SER 56 Cb 0.00 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1i5j n SER 56 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1i5j n THR 57 N 1.18 0.00 -0.05 0.44 -1.04 0.17 -4.78 114.28 110.21 1i5j n THR 57 Ca 0.19 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.09 1i5j n THR 57 Cb 0.51 -0.42 -0.04 0.00 -1.82 0.00 0.00 70.33 68.56 1i5j n THR 57 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i5j n ALA 58 N -1.17 2.32 0.19 2.41 0.00 -0.41 -3.70 120.51 120.16 1i5j n ALA 58 Ca 0.00 -0.41 0.10 0.00 0.00 0.00 0.00 53.44 53.13 1i5j n ALA 58 Cb 0.22 0.35 0.52 0.00 0.00 0.00 0.00 19.45 20.55 1i5j n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i5j n ALA 59 N -3.49 1.15 -0.09 0.00 0.00 -1.13 0.66 120.51 117.61 1i5j n ALA 59 Ca -0.20 0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 1i5j n ALA 59 Cb 0.62 -1.30 -0.09 0.00 0.00 0.00 0.00 19.45 18.68 1i5j n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i5j n MET 60 N -2.19 0.60 0.09 0.00 0.00 -1.06 -3.69 117.12 110.87 1i5j n MET 60 Ca -0.01 0.10 -0.06 0.00 0.00 0.00 0.00 57.70 57.73 1i5j n MET 60 Cb 0.07 -1.38 0.07 0.00 0.00 0.00 0.00 33.22 31.98 1i5j n MET 60 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1i5j h SER 61 N 0.00 0.19 0.79 3.17 0.87 -1.55 -1.20 113.55 115.81 1i5j h SER 61 Ca -0.42 -0.13 -0.24 0.00 -1.23 0.00 0.00 61.79 59.78 1i5j h SER 61 Cb 1.68 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.57 1i5j h SER 61 CO -0.06 0.85 -1.10 0.74 -0.53 0.00 0.00 176.83 176.74 1i5j h THR 62 N 0.10 1.60 -0.00 2.23 2.02 -0.00 -3.26 112.91 115.59 1i5j h THR 62 Ca -0.02 -3.18 -0.18 0.00 0.77 0.00 0.00 66.41 63.80 1i5j h THR 62 Cb 1.29 2.85 -0.02 0.00 -1.74 0.00 0.00 68.15 70.54 1i5j h THR 62 CO 0.11 0.92 -0.83 0.22 0.37 0.00 0.00 175.52 176.31 1i5j h TYR 63 N 0.04 0.13 -0.17 3.16 5.03 -1.62 -3.02 116.97 120.52 1i5j h TYR 63 Ca -0.07 -0.07 0.05 0.00 2.58 0.00 0.00 58.73 61.22 1i5j h TYR 63 Cb 1.83 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 40.09 1i5j h TYR 63 CO 0.03 0.87 0.33 1.79 -1.32 0.00 0.00 178.16 179.86 1i5j h THR 64 N 0.05 0.21 0.00 1.81 1.35 -1.26 0.84 112.91 115.91 1i5j h THR 64 Ca -0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.82 1i5j h THR 64 Cb 1.44 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1i5j h THR 64 CO 0.12 0.00 -1.22 0.61 -0.25 0.00 0.00 175.52 174.77 1i5j n GLY 65 N -1.33 -1.36 0.09 5.82 0.00 -1.14 -3.86 105.19 103.40 1i5j n GLY 65 Ca 0.02 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.88 1i5j n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1i5j n ILE 66 N -2.63 0.00 0.08 -0.61 2.08 0.26 -4.15 119.36 114.40 1i5j n ILE 66 Ca -0.02 -0.05 -0.12 0.00 0.56 0.00 0.00 62.75 63.12 1i5j n ILE 66 Cb 0.59 0.50 -0.08 0.00 -0.75 0.00 0.00 39.64 39.89 1i5j n ILE 66 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1i5j h PHE 67 N 0.46 -0.24 0.00 1.39 3.57 -0.74 -3.14 116.94 118.24 1i5j h PHE 67 Ca 0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1i5j h PHE 67 Cb 0.52 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 1i5j h PHE 67 CO 0.00 0.16 -0.05 1.15 -2.23 0.00 0.00 178.31 177.34 1i5j h THR 68 N -0.73 0.46 -0.01 4.41 2.02 -1.75 -2.62 112.91 114.70 1i5j h THR 68 Ca -0.03 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1i5j h THR 68 Cb 0.50 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1i5j h THR 68 CO 0.04 0.05 0.40 0.44 0.37 0.00 0.00 175.52 176.82 1i5j h ASP 69 N 0.00 0.00 -0.36 4.18 5.19 -1.70 0.88 116.42 124.61 1i5j h ASP 69 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1i5j h ASP 69 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1i5j h ASP 69 CO 0.01 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.13 1i5j n GLN 70 N -2.86 2.45 -0.12 3.56 6.02 -0.99 -3.82 117.38 121.62 1i5j n GLN 70 Ca -0.02 -2.03 -0.24 0.00 -0.01 0.00 0.00 57.00 54.70 1i5j n GLN 70 Cb 0.45 -1.33 -0.09 0.00 1.02 0.00 0.00 30.24 30.28 1i5j n GLN 70 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1i5j n VAL 71 N 0.81 1.34 0.16 5.09 0.31 0.30 -4.12 118.33 122.23 1i5j n VAL 71 Ca 0.14 -0.38 0.07 0.00 -0.01 0.00 0.00 64.34 64.16 1i5j n VAL 71 Cb 0.45 -1.73 0.08 0.00 -0.91 0.00 0.00 33.84 31.73 1i5j n VAL 71 CO 0.00 0.00 0.00 0.17 -1.32 0.00 0.00 176.83 175.68 1i5j h LEU 72 N -0.71 0.00 0.00 7.52 -0.00 -1.69 0.30 115.31 120.73 1i5j h LEU 72 Ca -0.60 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.28 1i5j h LEU 72 Cb 1.60 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.26 1i5j h LEU 72 CO -0.32 0.24 0.00 -0.24 -0.00 0.00 0.00 178.44 178.12 1i5j n SER 73 N -3.09 0.00 0.00 0.17 2.88 -1.25 -0.66 113.62 111.67 1i5j n SER 73 Ca 0.02 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1i5j n SER 73 Cb 0.64 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1i5j n SER 73 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1i5j n VAL 74 N -1.36 0.00 0.00 2.46 0.31 -1.18 -2.94 118.33 115.62 1i5j n VAL 74 Ca 0.11 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1i5j n VAL 74 Cb 0.26 0.53 0.00 0.00 -0.91 0.00 0.00 33.84 33.71 1i5j n VAL 74 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1i5j n LEU 75 N -0.36 0.00 -0.02 7.52 4.77 0.10 -4.72 117.00 124.30 1i5j n LEU 75 Ca 0.00 -0.12 0.08 0.00 -0.03 0.00 0.00 56.01 55.94 1i5j n LEU 75 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1i5j n LEU 75 CO 0.00 0.00 -0.03 0.29 -1.33 0.00 0.00 177.39 176.32 1i5j n LYS 76 N -1.12 1.24 0.00 3.23 4.01 -0.69 -4.96 118.16 119.88 1i5j n LYS 76 Ca 0.00 -0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.76 1i5j n LYS 76 Cb 0.00 -1.33 0.00 0.00 -0.51 0.00 0.00 35.03 33.19 1i5j n LYS 76 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1i5j n GLY 77 N 1.41 0.99 3.12 0.72 0.00 -0.89 -4.77 105.19 105.76 1i5j n GLY 77 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 1i5j n GLY 77 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1i5j n GLU 78 N 0.00 -4.55 0.00 1.61 2.13 -0.85 -4.95 120.64 114.03 1i5j n GLU 78 Ca 0.00 0.76 0.12 0.00 0.66 0.00 0.00 57.16 58.70 1i5j n GLU 78 Cb 0.00 -5.44 0.13 0.00 0.27 0.00 0.00 31.44 26.40 1i5j n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81