#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 0.25 -1.42 7.35 -1.26 -4.64 117.46 117.74 1i5j n PHE 14 Ca 0.00 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.81 1i5j n PHE 14 Cb 0.00 -0.46 0.07 0.00 0.35 0.00 0.00 39.48 39.45 1i5j n PHE 14 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1i5j h LEU 15 N 0.00 0.00 -2.19 -2.13 3.38 -2.08 -3.33 115.31 108.97 1i5j h LEU 15 Ca 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1i5j h LEU 15 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1i5j h LEU 15 CO 0.00 0.03 -0.05 0.00 0.09 0.00 0.00 178.44 178.51 1i5j h THR 16 N 0.00 0.64 -0.28 0.22 1.03 -2.02 -2.76 112.91 109.75 1i5j h THR 16 Ca 0.00 -0.21 0.04 0.00 -0.01 0.00 0.00 66.41 66.23 1i5j h THR 16 Cb 0.93 1.13 -0.04 0.00 -1.07 0.00 0.00 68.15 69.10 1i5j h THR 16 CO 0.00 0.05 0.02 1.56 -0.01 0.00 0.00 175.52 177.14 1i5j h GLN 17 N 0.00 0.10 -0.78 0.00 4.20 -1.97 -1.68 115.11 114.98 1i5j h GLN 17 Ca -0.00 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.78 1i5j h GLN 17 Cb 0.12 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.83 1i5j h GLN 17 CO 0.01 0.07 0.51 0.28 -0.67 0.00 0.00 178.83 179.03 1i5j h VAL 18 N 0.10 1.00 0.80 -0.54 2.07 -1.75 0.32 116.25 118.26 1i5j h VAL 18 Ca 0.13 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 1i5j h VAL 18 Cb 0.16 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1i5j h VAL 18 CO -0.21 0.14 -0.38 0.11 0.02 0.00 0.00 177.57 177.25 1i5j h LYS 19 N 0.79 -1.04 0.00 1.57 1.79 -1.41 0.57 116.57 118.84 1i5j h LYS 19 Ca 0.35 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.89 1i5j h LYS 19 Cb 0.33 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1i5j h LYS 19 CO -0.13 -0.68 0.00 0.93 -1.08 0.00 0.00 179.45 178.49 1i5j h GLU 20 N -1.15 0.00 0.00 3.15 4.39 -1.07 1.00 114.58 120.90 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 0.84 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 -0.07 1.03 -1.16 0.00 0.00 179.01 178.99 1i5j h SER 21 N 0.00 0.00 -0.14 1.42 0.87 -0.22 -3.15 113.55 112.33 1i5j h SER 21 Ca 0.00 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 1i5j h SER 21 Cb 0.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1i5j h SER 21 CO 0.00 0.62 0.07 -0.07 -0.53 0.00 0.00 176.83 176.93 1i5j h LEU 22 N -1.00 0.19 -1.30 2.23 3.38 0.39 -0.81 115.31 118.39 1i5j h LEU 22 Ca -0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1i5j h LEU 22 Cb 0.23 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1i5j h LEU 22 CO -0.00 0.17 -0.09 0.28 0.09 0.00 0.00 178.44 178.88 1i5j h SER 23 N 0.22 0.34 -0.03 -0.43 0.02 -0.93 -2.14 113.55 110.59 1i5j h SER 23 Ca 0.06 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 1i5j h SER 23 Cb 0.03 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1i5j h SER 23 CO -0.01 0.47 -0.22 0.28 -1.14 0.00 0.00 176.83 176.22 1i5j h SER 24 N 0.34 0.42 -0.67 3.07 0.02 -1.10 1.09 113.55 116.72 1i5j h SER 24 Ca 0.07 -0.13 0.12 0.00 -0.84 0.00 0.00 61.79 61.02 1i5j h SER 24 Cb 0.38 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 1i5j h SER 24 CO 0.02 0.64 0.45 0.22 -1.14 0.00 0.00 176.83 177.02 1i5j h TYR 25 N 0.38 0.44 0.00 3.45 5.03 -1.27 -1.68 116.97 123.33 1i5j h TYR 25 Ca 0.06 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.38 1i5j h TYR 25 Cb 0.60 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.73 1i5j h TYR 25 CO 0.02 0.19 -1.22 0.91 -1.32 0.00 0.00 178.16 176.74 1i5j n TRP 26 N -4.47 0.00 -0.31 -3.82 7.02 -0.91 -4.52 117.44 110.43 1i5j n TRP 26 Ca 0.12 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.63 1i5j n TRP 26 Cb 0.45 -0.18 0.17 0.00 -2.42 0.00 0.00 31.31 29.33 1i5j n TRP 26 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1i5j h GLU 27 N 0.00 0.87 -0.63 -0.99 4.57 0.22 -0.17 114.58 118.45 1i5j h GLU 27 Ca 0.00 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 1i5j h GLU 27 Cb 0.52 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.89 1i5j h GLU 27 CO 0.00 0.58 0.18 1.03 -1.18 0.00 0.00 179.01 179.62 1i5j h SER 28 N 0.90 0.90 -0.42 1.04 0.87 -1.77 0.58 113.55 115.65 1i5j h SER 28 Ca 0.41 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 1i5j h SER 28 Cb 0.32 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1i5j h SER 28 CO -0.23 0.85 0.18 0.00 -0.53 0.00 0.00 176.83 177.11 1i5j h ALA 29 N 1.27 1.44 0.00 6.23 0.00 -1.35 -0.26 119.26 126.59 1i5j h ALA 29 Ca 0.21 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1i5j h ALA 29 Cb 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1i5j h ALA 29 CO -0.01 0.43 -0.77 0.87 0.00 0.00 0.00 179.25 179.78 1i5j h LYS 30 N 0.67 0.00 -0.12 0.00 1.79 -0.01 -3.28 116.57 115.61 1i5j h LYS 30 Ca 0.16 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.60 1i5j h LYS 30 Cb 0.15 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1i5j h LYS 30 CO -0.01 0.77 -0.03 1.15 -1.08 0.00 0.00 179.45 180.24 1i5j h THR 31 N 0.00 1.29 -0.08 -0.16 2.02 0.14 -2.41 112.91 113.70 1i5j h THR 31 Ca -0.01 -0.99 0.02 0.00 0.77 0.00 0.00 66.41 66.21 1i5j h THR 31 Cb 1.51 1.70 -0.00 0.00 -1.74 0.00 0.00 68.15 69.62 1i5j h THR 31 CO 0.10 0.28 0.23 0.00 0.37 0.00 0.00 175.52 176.51 1i5j h ALA 32 N 0.69 1.45 0.06 6.16 0.00 -1.17 0.39 119.26 126.84 1i5j h ALA 32 Ca 0.03 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 1i5j h ALA 32 Cb 0.46 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1i5j h ALA 32 CO 0.01 -0.27 -1.16 0.00 0.00 0.00 0.00 179.25 177.83 1i5j h ALA 33 N 1.62 0.24 -0.10 0.00 0.00 -1.50 -3.27 119.26 116.25 1i5j h ALA 33 Ca 0.04 -0.92 -0.13 0.00 0.00 0.00 0.00 54.91 53.89 1i5j h ALA 33 Cb 0.50 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1i5j h ALA 33 CO -0.00 1.13 -0.52 1.96 0.00 0.00 0.00 179.25 181.82 1i5j h GLN 34 N 0.04 0.27 -0.96 0.00 4.20 0.09 -3.02 115.11 115.73 1i5j h GLN 34 Ca -0.09 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.49 1i5j h GLN 34 Cb 1.88 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 29.62 1i5j h GLN 34 CO 0.16 0.72 0.63 -0.97 -0.67 0.00 0.00 178.83 178.71 1i5j h ASN 35 N 0.21 1.07 -1.05 1.46 -0.73 -1.44 2.19 115.58 117.29 1i5j h ASN 35 Ca 0.01 -0.02 0.28 0.00 1.87 0.00 0.00 56.30 58.44 1i5j h ASN 35 Cb 0.99 -0.26 -0.07 0.00 0.27 0.00 0.00 38.32 39.25 1i5j h ASN 35 CO 0.08 0.75 0.71 0.25 -0.37 0.00 0.00 177.43 178.86 1i5j h LEU 36 N 1.25 0.25 0.00 0.34 6.46 -1.60 -3.41 115.31 118.60 1i5j h LEU 36 Ca 0.36 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 58.17 1i5j h LEU 36 Cb -0.07 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.86 1i5j h LEU 36 CO -0.10 0.05 0.00 -1.22 -0.62 0.00 0.00 178.44 176.56 1i5j n TYR 37 N -4.44 0.00 0.17 1.25 4.01 -0.87 -4.96 117.16 112.32 1i5j n TYR 37 Ca 0.24 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 58.04 1i5j n TYR 37 Cb 0.98 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 40.14 1i5j n TYR 37 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1i5j h GLU 38 N 0.00 0.00 0.00 -0.72 4.22 0.27 -1.50 114.58 116.86 1i5j h GLU 38 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1i5j h GLU 38 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1i5j h GLU 38 CO 0.00 0.35 0.05 1.57 -2.18 0.00 0.00 179.01 178.80 1i5j h LYS 39 N 0.00 0.00 0.00 1.92 2.10 0.13 -2.84 116.57 117.87 1i5j h LYS 39 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1i5j h LYS 39 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1i5j h LYS 39 CO 0.05 0.00 -0.59 2.41 -2.00 0.00 0.00 179.45 179.32 1i5j n THR 40 N -2.91 0.00 0.00 0.07 -1.04 -1.19 -4.70 114.28 104.51 1i5j n THR 40 Ca -0.03 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1i5j n THR 40 Cb 0.11 0.48 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 1i5j n THR 40 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i5j n TYR 41 N -1.02 0.00 -2.85 -1.42 4.19 -0.57 -4.70 117.16 110.79 1i5j n TYR 41 Ca 0.00 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 61.10 1i5j n TYR 41 Cb 0.00 -0.19 0.05 0.00 0.49 0.00 0.00 39.34 39.68 1i5j n TYR 41 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 1i5j n LEU 42 N -1.15 -0.53 0.00 2.98 4.77 -1.24 -5.01 117.00 116.81 1i5j n LEU 42 Ca 0.00 -4.07 0.00 0.00 -0.03 0.00 0.00 56.01 51.91 1i5j n LEU 42 Cb 0.00 0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1i5j n LEU 42 CO 0.00 2.01 0.00 -0.81 -1.33 0.00 0.00 177.39 177.26 1i5j n PRO 43 N 0.07 0.00 -2.67 3.23 -0.04 -1.24 -4.99 135.00 129.36 1i5j n PRO 43 Ca 0.11 0.25 -0.04 0.00 -0.04 0.00 0.00 63.50 63.78 1i5j n PRO 43 Cb 0.74 -0.74 0.09 0.00 -0.04 0.00 0.00 33.50 33.54 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 -2.18 -2.31 -0.12 0.55 0.00 -1.26 -5.02 120.51 110.18 1i5j n ALA 44 Ca 0.00 -0.65 -0.24 0.00 0.00 0.00 0.00 53.44 52.55 1i5j n ALA 44 Cb 0.00 -2.23 -0.09 0.00 0.00 0.00 0.00 19.45 17.13 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 0.20 1.33 0.49 0.00 0.31 -1.26 -4.10 118.33 115.30 1i5j n VAL 45 Ca -0.08 -0.37 0.13 0.00 -0.01 0.00 0.00 64.34 64.00 1i5j n VAL 45 Cb 0.73 -1.72 0.44 0.00 -0.91 0.00 0.00 33.84 32.38 1i5j n VAL 45 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1i5j h ASP 46 N -0.68 0.00 0.00 4.52 3.58 -1.97 -3.20 116.42 118.66 1i5j h ASP 46 Ca -0.60 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.84 1i5j h ASP 46 Cb 1.59 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.64 1i5j h ASP 46 CO -0.31 0.00 -0.11 -0.33 -2.88 0.00 0.00 179.24 175.61 1i5j h GLU 47 N 0.00 0.00 -0.87 0.28 3.07 -1.82 -1.77 114.58 113.48 1i5j h GLU 47 Ca 0.00 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 59.01 1i5j h GLU 47 Cb 0.60 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.42 1i5j h GLU 47 CO 0.00 0.69 0.47 -0.22 -1.40 0.00 0.00 179.01 178.54 1i5j h LYS 48 N -1.00 0.65 0.00 2.33 1.63 -1.71 1.17 116.57 119.64 1i5j h LYS 48 Ca -0.03 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1i5j h LYS 48 Cb 0.73 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 1i5j h LYS 48 CO -0.02 0.43 -0.10 1.37 -3.45 0.00 0.00 179.45 177.68 1i5j h LEU 49 N 0.67 0.00 -5.70 5.20 8.10 -1.68 -3.36 115.31 118.53 1i5j h LEU 49 Ca 0.47 -0.02 -0.46 0.00 0.11 0.00 0.00 57.88 57.98 1i5j h LEU 49 Cb 0.65 0.00 -0.40 0.00 -0.44 0.00 0.00 40.66 40.47 1i5j h LEU 49 CO -0.35 0.01 -1.17 -1.14 -4.11 0.00 0.00 178.44 171.68 1i5j n ARG 50 N -2.52 1.16 -0.03 0.17 0.63 0.11 -4.90 116.66 111.27 1i5j n ARG 50 Ca 0.05 -3.44 -0.07 0.00 -0.92 0.00 0.00 57.85 53.47 1i5j n ARG 50 Cb 0.47 -1.63 -0.02 0.00 0.45 0.00 0.00 32.46 31.72 1i5j n ARG 50 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1i5j n ASP 51 N 0.16 1.00 -0.35 6.15 9.92 0.36 -4.11 116.55 129.68 1i5j n ASP 51 Ca 0.22 0.16 0.28 0.00 -0.53 0.00 0.00 54.79 54.92 1i5j n ASP 51 Cb 0.69 -0.37 0.59 0.00 -0.64 0.00 0.00 41.12 41.39 1i5j n ASP 51 CO 0.00 0.00 0.00 0.17 0.13 0.00 0.00 177.20 177.50 1i5j h LEU 52 N -0.35 0.31 0.00 0.64 8.10 -1.85 0.94 115.31 123.10 1i5j h LEU 52 Ca -0.14 0.07 -0.00 0.00 0.11 0.00 0.00 57.88 57.92 1i5j h LEU 52 Cb 0.84 0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 41.09 1i5j h LEU 52 CO -0.08 0.02 -0.00 0.22 -4.11 0.00 0.00 178.44 174.48 1i5j h TYR 53 N 0.25 0.00 -0.04 0.17 3.20 -1.94 -3.09 116.97 115.51 1i5j h TYR 53 Ca 0.63 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.50 1i5j h TYR 53 Cb 1.88 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.15 1i5j h TYR 53 CO -0.00 0.38 0.00 0.43 -1.64 0.00 0.00 178.16 177.32 1i5j n SER 54 N -4.72 1.12 -0.00 -2.11 7.64 -0.71 -2.56 113.62 112.28 1i5j n SER 54 Ca -0.04 -2.05 -0.00 0.00 1.01 0.00 0.00 58.87 57.79 1i5j n SER 54 Cb 0.18 -0.42 -0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1i5j n SER 54 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1i5j n LYS 55 N -0.04 2.45 -0.05 1.43 4.81 0.32 -3.57 118.16 123.51 1i5j n LYS 55 Ca 0.02 -0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.53 1i5j n LYS 55 Cb 0.26 -1.01 0.09 0.00 0.02 0.00 0.00 35.03 34.40 1i5j n LYS 55 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1i5j n SER 56 N -1.82 2.46 0.00 3.14 7.64 -1.17 -3.64 113.62 120.24 1i5j n SER 56 Ca -0.00 -1.70 0.00 0.00 1.01 0.00 0.00 58.87 58.17 1i5j n SER 56 Cb 0.32 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 0.86 0.00 -0.05 0.44 -1.04 -1.06 -4.70 114.28 108.73 1i5j n THR 57 Ca 0.10 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.04 1i5j n THR 57 Cb 0.40 -0.80 -0.04 0.00 -1.82 0.00 0.00 70.33 68.08 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 -1.77 1.99 0.49 2.41 0.00 -1.26 -4.27 120.51 118.10 1i5j n ALA 58 Ca 0.00 -0.39 0.06 0.00 0.00 0.00 0.00 53.44 53.12 1i5j n ALA 58 Cb 0.41 0.32 0.29 0.00 0.00 0.00 0.00 19.45 20.47 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 -2.98 1.64 -0.08 0.00 0.00 -1.23 0.12 120.51 117.97 1i5j n ALA 59 Ca -0.17 -0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.07 1i5j n ALA 59 Cb 0.66 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.47 0.68 -0.04 0.00 0.00 -1.24 -3.58 117.12 111.47 1i5j n MET 60 Ca 0.04 0.15 -0.16 0.00 0.00 0.00 0.00 57.70 57.72 1i5j n MET 60 Cb 0.15 -1.59 -0.14 0.00 0.00 0.00 0.00 33.22 31.64 1i5j n MET 60 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1i5j n SER 61 N -3.15 1.56 -0.00 3.17 7.64 -1.08 -4.09 113.62 117.67 1i5j n SER 61 Ca -0.36 0.17 0.14 0.00 1.01 0.00 0.00 58.87 59.83 1i5j n SER 61 Cb 1.05 -0.37 0.65 0.00 -1.01 0.00 0.00 64.21 64.53 1i5j n SER 61 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1i5j n THR 62 N -3.25 0.00 0.14 0.44 -1.04 0.33 -3.38 114.28 107.51 1i5j n THR 62 Ca -0.31 -0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.72 1i5j n THR 62 Cb 1.05 -0.47 0.38 0.00 -1.82 0.00 0.00 70.33 69.48 1i5j n THR 62 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1i5j h TYR 63 N 0.02 0.19 -0.21 -1.42 3.20 -1.65 -1.11 116.97 115.97 1i5j h TYR 63 Ca 0.00 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.91 1i5j h TYR 63 Cb 0.43 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1i5j h TYR 63 CO 0.00 0.37 0.28 1.79 -1.64 0.00 0.00 178.16 178.96 1i5j h THR 64 N 0.17 0.36 0.00 1.81 1.35 -1.79 0.59 112.91 115.39 1i5j h THR 64 Ca 0.03 0.00 -0.15 0.00 -0.55 0.00 0.00 66.41 65.74 1i5j h THR 64 Cb 0.45 0.77 -0.03 0.00 -1.73 0.00 0.00 68.15 67.62 1i5j h THR 64 CO 0.03 0.00 -1.49 0.61 -0.25 0.00 0.00 175.52 174.42 1i5j n GLY 65 N -1.39 -1.20 0.13 5.82 0.00 -0.45 -3.88 105.19 104.23 1i5j n GLY 65 Ca 0.02 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.79 0.00 -0.07 -0.61 2.08 0.17 -3.91 119.36 114.22 1i5j n ILE 66 Ca -0.10 -0.07 -0.12 0.00 0.56 0.00 0.00 62.75 63.02 1i5j n ILE 66 Cb 0.80 0.10 -0.06 0.00 -0.75 0.00 0.00 39.64 39.74 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 0.64 0.48 0.00 1.39 3.04 -0.51 -2.88 116.94 119.09 1i5j h PHE 67 Ca 0.00 -0.12 -0.01 0.00 3.98 0.00 0.00 57.97 61.83 1i5j h PHE 67 Cb 0.45 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 38.84 1i5j h PHE 67 CO 0.00 0.70 -0.03 1.15 -2.02 0.00 0.00 178.31 178.11 1i5j h THR 68 N 0.11 0.31 -0.46 4.41 2.02 -1.78 -2.46 112.91 115.07 1i5j h THR 68 Ca 0.04 -0.17 0.13 0.00 0.77 0.00 0.00 66.41 67.18 1i5j h THR 68 Cb 0.58 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1i5j h THR 68 CO 0.03 0.03 0.43 0.44 0.37 0.00 0.00 175.52 176.81 1i5j h ASP 69 N 0.00 0.00 -0.29 4.18 3.32 -1.69 0.86 116.42 122.79 1i5j h ASP 69 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1i5j h ASP 69 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1i5j h ASP 69 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1i5j n GLN 70 N -3.93 1.83 -0.13 3.56 1.13 -0.92 -3.13 117.38 115.79 1i5j n GLN 70 Ca 0.08 -1.27 -0.26 0.00 -1.94 0.00 0.00 57.00 53.62 1i5j n GLN 70 Cb 0.62 -1.34 -0.11 0.00 0.11 0.00 0.00 30.24 29.52 1i5j n GLN 70 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1i5j n VAL 71 N 0.51 1.53 0.16 5.09 0.31 0.30 -4.13 118.33 122.10 1i5j n VAL 71 Ca 0.14 -0.42 0.08 0.00 -0.01 0.00 0.00 64.34 64.13 1i5j n VAL 71 Cb 0.33 -1.75 0.07 0.00 -0.91 0.00 0.00 33.84 31.58 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 -0.67 0.00 -1.42 7.52 -0.00 -1.69 0.43 115.31 119.48 1i5j h LEU 72 Ca -0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.23 1i5j h LEU 72 Cb 1.69 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.35 1i5j h LEU 72 CO -0.29 0.20 -0.07 -1.28 -0.00 0.00 0.00 178.44 177.00 1i5j h SER 73 N 0.00 0.00 0.00 0.17 0.87 -1.76 -0.17 113.55 112.66 1i5j h SER 73 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1i5j h SER 73 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1i5j h SER 73 CO 0.02 0.07 -0.69 0.52 -0.53 0.00 0.00 176.83 176.22 1i5j n VAL 74 N -3.20 0.00 0.10 2.23 0.31 -1.20 -2.04 118.33 114.52 1i5j n VAL 74 Ca 0.00 -0.08 0.03 0.00 -0.01 0.00 0.00 64.34 64.28 1i5j n VAL 74 Cb 0.33 0.53 -0.04 0.00 -0.91 0.00 0.00 33.84 33.75 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 -1.19 0.10 -0.00 7.52 4.77 0.15 -4.68 117.00 123.67 1i5j n LEU 75 Ca 0.00 -0.19 0.06 0.00 -0.03 0.00 0.00 56.01 55.86 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 0.03 -0.35 0.29 -1.33 0.00 0.00 177.39 176.02 1i5j n LYS 76 N -1.49 1.52 0.00 3.23 4.01 -0.26 -4.94 118.16 120.23 1i5j n LYS 76 Ca -0.00 -0.06 0.00 0.00 -0.51 0.00 0.00 58.31 57.73 1i5j n LYS 76 Cb 0.13 -1.22 0.00 0.00 -0.51 0.00 0.00 35.03 33.43 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 1.53 1.00 2.82 0.72 0.00 -0.80 -4.82 105.19 105.64 1i5j n GLY 77 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.57 -0.79 1.61 2.13 -0.82 -4.96 120.64 115.24 1i5j n GLU 78 Ca 0.00 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.47 1i5j n GLU 78 Cb 0.00 -4.83 0.00 0.00 0.27 0.00 0.00 31.44 26.88 1i5j n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81