#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 0.69 -0.20 4.78 7.35 -1.26 -4.24 117.46 124.58 1i5j n PHE 14 Ca 0.00 0.17 0.17 0.00 -0.76 0.00 0.00 57.45 57.03 1i5j n PHE 14 Cb 0.00 -1.10 0.52 0.00 0.35 0.00 0.00 39.48 39.25 1i5j n PHE 14 CO 0.00 0.00 0.00 1.37 -0.76 0.00 0.00 176.76 177.37 1i5j h LEU 15 N 0.03 0.38 -1.34 -2.13 8.10 -2.07 0.51 115.31 118.79 1i5j h LEU 15 Ca -0.47 0.03 0.00 0.00 0.11 0.00 0.00 57.88 57.55 1i5j h LEU 15 Cb 2.01 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 42.19 1i5j h LEU 15 CO 0.02 0.18 0.00 0.74 -4.11 0.00 0.00 178.44 175.27 1i5j h THR 16 N 0.39 0.00 0.00 0.15 2.02 -2.02 -2.01 112.91 111.44 1i5j h THR 16 Ca 0.41 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.31 1i5j h THR 16 Cb 1.02 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1i5j h THR 16 CO -0.14 0.00 0.00 1.67 0.37 0.00 0.00 175.52 177.42 1i5j n GLN 17 N -2.66 0.06 -0.12 6.66 0.00 0.18 -2.96 117.38 118.54 1i5j n GLN 17 Ca 0.01 0.11 -0.15 0.00 -0.00 0.00 0.00 57.00 56.97 1i5j n GLN 17 Cb 0.22 -1.58 -0.13 0.00 0.00 0.00 0.00 30.24 28.75 1i5j n GLN 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1i5j n VAL 18 N -1.68 1.39 0.31 1.69 0.31 -0.77 -3.96 118.33 115.63 1i5j n VAL 18 Ca 0.06 -0.63 -0.12 0.00 -0.01 0.00 0.00 64.34 63.63 1i5j n VAL 18 Cb 0.32 -1.11 -0.06 0.00 -0.91 0.00 0.00 33.84 32.08 1i5j n VAL 18 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1i5j h LYS 19 N 0.00 -0.78 -0.01 5.55 1.63 -1.58 0.22 116.57 121.59 1i5j h LYS 19 Ca -0.55 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1i5j h LYS 19 Cb 1.96 0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 33.77 1i5j h LYS 19 CO -0.05 -0.52 0.14 0.93 -3.45 0.00 0.00 179.45 176.50 1i5j h GLU 20 N -1.02 0.00 0.11 1.90 5.08 -1.80 0.13 114.58 118.99 1i5j h GLU 20 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1i5j h GLU 20 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1i5j h GLU 20 CO 0.14 0.00 -0.05 1.03 -1.00 0.00 0.00 179.01 179.12 1i5j h SER 21 N 0.00 -0.12 -0.30 1.42 0.87 -1.62 -1.58 113.55 112.22 1i5j h SER 21 Ca 0.01 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 1i5j h SER 21 Cb 0.29 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1i5j h SER 21 CO -0.00 0.43 0.10 -0.07 -0.53 0.00 0.00 176.83 176.76 1i5j h LEU 22 N -1.01 0.49 -0.41 2.23 3.38 -0.41 -2.16 115.31 117.42 1i5j h LEU 22 Ca -0.01 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 1i5j h LEU 22 Cb 0.28 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1i5j h LEU 22 CO 0.02 0.49 -0.59 -1.28 0.09 0.00 0.00 178.44 177.17 1i5j h SER 23 N 0.53 0.75 -0.12 -0.43 0.87 -0.87 -3.05 113.55 111.23 1i5j h SER 23 Ca 0.12 -0.42 -0.06 0.00 -1.23 0.00 0.00 61.79 60.21 1i5j h SER 23 Cb 0.19 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1i5j h SER 23 CO -0.01 1.17 -0.08 0.28 -0.53 0.00 0.00 176.83 177.66 1i5j h SER 24 N 0.50 0.40 -0.75 6.23 0.02 -0.73 0.84 113.55 120.06 1i5j h SER 24 Ca 0.00 -0.09 0.11 0.00 -0.84 0.00 0.00 61.79 60.97 1i5j h SER 24 Cb 1.16 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.55 1i5j h SER 24 CO 0.12 0.53 0.49 0.22 -1.14 0.00 0.00 176.83 177.05 1i5j h TYR 25 N 0.40 0.65 0.00 3.45 5.03 -1.29 -1.08 116.97 124.12 1i5j h TYR 25 Ca 0.08 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.41 1i5j h TYR 25 Cb 0.40 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.47 1i5j h TYR 25 CO 0.01 0.29 -1.82 0.91 -1.32 0.00 0.00 178.16 176.24 1i5j n TRP 26 N -4.50 0.03 0.07 -3.82 8.01 -0.78 -4.31 117.44 112.14 1i5j n TRP 26 Ca 0.13 0.01 0.05 0.00 -1.31 0.00 0.00 57.50 56.38 1i5j n TRP 26 Cb 0.38 -0.44 0.48 0.00 -2.01 0.00 0.00 31.31 29.72 1i5j n TRP 26 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.69 178.17 1i5j h GLU 27 N 0.00 0.40 -0.42 -0.99 4.81 0.20 -1.48 114.58 117.10 1i5j h GLU 27 Ca 0.00 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1i5j h GLU 27 Cb 0.93 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1i5j h GLU 27 CO 0.00 0.26 0.00 1.03 -0.73 0.00 0.00 179.01 179.57 1i5j h SER 28 N 0.41 0.73 -0.24 1.04 0.87 -1.68 0.45 113.55 115.12 1i5j h SER 28 Ca 0.11 -0.31 -0.04 0.00 -1.23 0.00 0.00 61.79 60.32 1i5j h SER 28 Cb -0.05 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 1i5j h SER 28 CO -0.02 0.85 0.02 0.00 -0.53 0.00 0.00 176.83 177.16 1i5j h ALA 29 N 0.90 1.41 0.00 6.23 0.00 -1.60 -0.74 119.26 125.45 1i5j h ALA 29 Ca 0.12 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1i5j h ALA 29 Cb 0.48 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1i5j h ALA 29 CO 0.02 0.42 -0.27 -0.22 0.00 0.00 0.00 179.25 179.20 1i5j h LYS 30 N 0.50 0.00 0.31 0.00 3.64 -0.82 -3.12 116.57 117.08 1i5j h LYS 30 Ca 0.11 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1i5j h LYS 30 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1i5j h LYS 30 CO 0.01 0.27 -0.15 1.15 -2.27 0.00 0.00 179.45 178.46 1i5j h THR 31 N 0.00 0.58 -0.10 1.00 2.02 0.13 0.34 112.91 116.88 1i5j h THR 31 Ca -0.00 -0.76 0.03 0.00 0.77 0.00 0.00 66.41 66.45 1i5j h THR 31 Cb 1.09 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1i5j h THR 31 CO 0.04 0.12 0.14 0.00 0.37 0.00 0.00 175.52 176.19 1i5j h ALA 32 N -0.48 1.58 0.14 6.16 0.00 -1.46 0.88 119.26 126.07 1i5j h ALA 32 Ca -0.04 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 1i5j h ALA 32 Cb 0.52 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1i5j h ALA 32 CO 0.07 -0.20 -1.57 0.00 0.00 0.00 0.00 179.25 177.55 1i5j h ALA 33 N 1.81 0.23 -0.15 0.00 0.00 -1.46 -3.32 119.26 116.37 1i5j h ALA 33 Ca 0.05 -1.11 -0.04 0.00 0.00 0.00 0.00 54.91 53.81 1i5j h ALA 33 Cb 0.34 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1i5j h ALA 33 CO -0.00 1.10 -0.11 1.96 0.00 0.00 0.00 179.25 182.20 1i5j h GLN 34 N 0.08 0.23 0.50 0.00 4.20 0.21 -0.95 115.11 119.38 1i5j h GLN 34 Ca -0.26 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 1i5j h GLN 34 Cb 2.04 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.77 1i5j h GLN 34 CO 0.17 0.35 -0.39 -0.97 -0.67 0.00 0.00 178.83 177.32 1i5j h ASN 35 N 0.22 -1.02 1.13 1.46 -1.24 -1.32 1.04 115.58 115.86 1i5j h ASN 35 Ca 0.05 0.07 -0.11 0.00 0.71 0.00 0.00 56.30 57.02 1i5j h ASN 35 Cb 0.33 0.32 -0.02 0.00 0.73 0.00 0.00 38.32 39.69 1i5j h ASN 35 CO 0.02 -0.57 -0.54 0.25 -1.29 0.00 0.00 177.43 175.30 1i5j h LEU 36 N -0.87 0.00 -1.49 0.34 6.46 -1.68 1.07 115.31 119.14 1i5j h LEU 36 Ca -0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1i5j h LEU 36 Cb 0.74 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 1i5j h LEU 36 CO 0.00 0.54 -0.13 -1.22 -0.62 0.00 0.00 178.44 177.01 1i5j n TYR 37 N -3.39 0.00 0.13 1.25 4.02 -0.37 -4.11 117.16 114.70 1i5j n TYR 37 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1i5j n TYR 37 Cb 0.68 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.99 1i5j n TYR 37 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1i5j n GLU 38 N 0.74 0.00 -0.23 -0.72 1.02 0.35 -4.68 120.64 117.12 1i5j n GLU 38 Ca 0.14 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.26 1i5j n GLU 38 Cb 0.52 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 32.04 1i5j n GLU 38 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1i5j h LYS 39 N 0.00 0.62 0.00 3.49 1.57 0.01 -0.97 116.57 121.29 1i5j h LYS 39 Ca 0.00 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.56 1i5j h LYS 39 Cb 0.00 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1i5j h LYS 39 CO 0.00 0.41 -0.87 1.15 -0.57 0.00 0.00 179.45 179.57 1i5j h THR 40 N 0.64 1.52 0.00 -0.16 2.02 0.92 -3.21 112.91 114.64 1i5j h THR 40 Ca 0.30 -3.08 -0.05 0.00 0.77 0.00 0.00 66.41 64.35 1i5j h THR 40 Cb 0.22 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 1i5j h THR 40 CO -0.20 0.85 -0.22 0.22 0.37 0.00 0.00 175.52 176.54 1i5j h TYR 41 N 0.00 0.00 -4.12 3.16 3.20 -1.50 -3.45 116.97 114.26 1i5j h TYR 41 Ca -0.01 0.00 -0.50 0.00 3.14 0.00 0.00 58.73 61.36 1i5j h TYR 41 Cb 1.64 0.00 0.17 0.00 1.54 0.00 0.00 36.73 40.08 1i5j h TYR 41 CO 0.00 0.22 0.23 -0.51 -1.64 0.00 0.00 178.16 176.46 1i5j s LEU 42 N -7.87 2.52 0.00 2.82 1.43 -0.44 -4.86 118.68 112.28 1i5j s LEU 42 Ca -0.03 1.87 -0.03 0.00 -1.03 0.00 0.00 54.13 54.90 1i5j s LEU 42 Cb 0.14 -4.28 -0.15 0.00 0.03 0.00 0.00 46.19 41.93 1i5j s LEU 42 CO 0.66 -2.86 2.66 -0.81 0.23 0.00 0.00 176.35 176.22 1i5j n PRO 43 N -4.06 1.41 -3.72 1.29 -0.04 -1.26 -4.70 135.00 123.92 1i5j n PRO 43 Ca 0.09 -0.57 -0.29 0.00 -0.04 0.00 0.00 63.50 62.69 1i5j n PRO 43 Cb 0.53 -1.66 0.03 0.00 -0.04 0.00 0.00 33.50 32.37 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 2.27 -2.39 -0.08 0.55 0.00 -1.26 -4.94 120.51 114.66 1i5j n ALA 44 Ca 0.25 -0.22 -0.08 0.00 0.00 0.00 0.00 53.44 53.38 1i5j n ALA 44 Cb 0.66 -3.45 -0.03 0.00 0.00 0.00 0.00 19.45 16.63 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 -4.20 1.45 1.73 0.00 0.31 -1.26 -3.82 118.33 112.54 1i5j n VAL 45 Ca -0.16 0.16 0.11 0.00 -0.01 0.00 0.00 64.34 64.44 1i5j n VAL 45 Cb 0.62 -2.34 0.56 0.00 -0.91 0.00 0.00 33.84 31.78 1i5j n VAL 45 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1i5j n ASP 46 N -4.55 0.62 -1.88 4.52 8.00 -1.26 0.75 116.55 122.75 1i5j n ASP 46 Ca -0.12 -1.44 -0.07 0.00 0.71 0.00 0.00 54.79 53.87 1i5j n ASP 46 Cb 0.38 -0.03 -0.09 0.00 -0.02 0.00 0.00 41.12 41.36 1i5j n ASP 46 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1i5j n GLU 47 N -0.42 1.42 -1.75 -1.24 1.02 -1.26 -4.63 120.64 113.77 1i5j n GLU 47 Ca 0.17 -0.54 -0.09 0.00 -0.02 0.00 0.00 57.16 56.67 1i5j n GLU 47 Cb 0.17 -1.61 -0.02 0.00 -0.02 0.00 0.00 31.44 29.96 1i5j n GLU 47 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1i5j n LYS 48 N 2.19 -1.71 -0.02 3.49 3.00 -1.26 -4.66 118.16 119.19 1i5j n LYS 48 Ca 0.23 0.49 -0.02 0.00 -0.00 0.00 0.00 58.31 59.01 1i5j n LYS 48 Cb 0.66 -4.83 -0.02 0.00 0.00 0.00 0.00 35.03 30.84 1i5j n LYS 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1i5j n LEU 49 N -2.06 1.76 -0.02 3.14 4.77 -1.25 -4.77 117.00 118.56 1i5j n LEU 49 Ca -0.10 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1i5j n LEU 49 Cb 0.41 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1i5j n LEU 49 CO 0.13 0.37 0.35 -1.14 -1.33 0.00 0.00 177.39 175.78 1i5j n ARG 50 N -2.42 1.19 -0.00 3.23 0.63 0.79 -4.83 116.66 115.25 1i5j n ARG 50 Ca -0.07 -0.96 -0.11 0.00 -0.92 0.00 0.00 57.85 55.79 1i5j n ARG 50 Cb 0.60 -0.72 -0.05 0.00 0.45 0.00 0.00 32.46 32.73 1i5j n ARG 50 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1i5j h ASP 51 N 0.00 0.12 -1.10 6.15 3.32 0.04 -2.07 116.42 122.88 1i5j h ASP 51 Ca 0.00 -0.04 0.30 0.00 0.02 0.00 0.00 57.03 57.31 1i5j h ASP 51 Cb 0.82 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 40.27 1i5j h ASP 51 CO 0.00 0.12 0.74 0.17 -1.72 0.00 0.00 179.24 178.56 1i5j h LEU 52 N 0.10 0.25 0.30 1.55 8.10 -1.88 0.43 115.31 124.16 1i5j h LEU 52 Ca 0.03 0.05 -0.01 0.00 0.11 0.00 0.00 57.88 58.06 1i5j h LEU 52 Cb 0.03 0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.26 1i5j h LEU 52 CO -0.01 0.04 -0.14 0.22 -4.11 0.00 0.00 178.44 174.44 1i5j h TYR 53 N 0.21 -0.37 -0.08 0.17 3.20 -1.75 -2.73 116.97 115.62 1i5j h TYR 53 Ca 0.59 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.45 1i5j h TYR 53 Cb 1.85 0.12 0.00 0.00 1.54 0.00 0.00 36.73 40.24 1i5j h TYR 53 CO -0.00 -0.02 0.00 0.45 -1.64 0.00 0.00 178.16 176.94 1i5j n SER 54 N -5.09 1.21 -0.02 -2.11 2.88 -0.17 -2.09 113.62 108.23 1i5j n SER 54 Ca -0.09 -2.08 0.00 0.00 -1.33 0.00 0.00 58.87 55.38 1i5j n SER 54 Cb 0.27 -0.35 -0.06 0.00 -0.75 0.00 0.00 64.21 63.32 1i5j n SER 54 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1i5j n LYS 55 N -0.03 1.50 -0.07 -1.46 3.00 0.13 -3.35 118.16 117.88 1i5j n LYS 55 Ca 0.03 -0.04 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 1i5j n LYS 55 Cb 0.26 -1.18 -0.13 0.00 0.00 0.00 0.00 35.03 33.98 1i5j n LYS 55 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1i5j n SER 56 N -2.00 0.89 -0.08 3.14 7.64 -1.04 -3.54 113.62 118.64 1i5j n SER 56 Ca -0.06 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.75 1i5j n SER 56 Cb 0.45 1.07 -0.15 0.00 -1.01 0.00 0.00 64.21 64.58 1i5j n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1i5j n THR 57 N -2.53 1.10 -0.04 0.44 -2.24 -0.89 -4.09 114.28 106.04 1i5j n THR 57 Ca -0.23 -0.74 -0.21 0.00 -2.27 0.00 0.00 64.05 60.60 1i5j n THR 57 Cb 0.94 -0.44 -0.13 0.00 -2.10 0.00 0.00 70.33 68.60 1i5j n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i5j n ALA 58 N -2.62 0.94 0.31 6.98 0.00 -1.24 -2.34 120.51 122.55 1i5j n ALA 58 Ca -0.27 -0.65 0.11 0.00 0.00 0.00 0.00 53.44 52.63 1i5j n ALA 58 Cb 1.03 -0.55 0.51 0.00 0.00 0.00 0.00 19.45 20.43 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 -3.17 1.43 -0.11 0.00 0.00 -1.21 -0.40 120.51 117.06 1i5j n ALA 59 Ca -0.35 0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 1i5j n ALA 59 Cb 0.96 -1.35 -0.15 0.00 0.00 0.00 0.00 19.45 18.91 1i5j n ALA 59 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1i5j n MET 60 N -2.21 0.69 0.20 0.00 2.81 -1.25 -4.31 117.12 113.05 1i5j n MET 60 Ca 0.01 0.03 0.10 0.00 -1.81 0.00 0.00 57.70 56.03 1i5j n MET 60 Cb 0.16 -1.52 0.18 0.00 -0.71 0.00 0.00 33.22 31.33 1i5j n MET 60 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1i5j h SER 61 N 0.00 0.00 -0.00 7.83 0.02 -1.03 -3.09 113.55 117.27 1i5j h SER 61 Ca -0.56 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 1i5j h SER 61 Cb 2.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.69 1i5j h SER 61 CO -0.00 0.15 0.00 0.41 -1.14 0.00 0.00 176.83 176.25 1i5j n THR 62 N -3.15 0.01 0.17 -2.27 -1.04 0.46 -3.47 114.28 105.00 1i5j n THR 62 Ca 0.03 -0.01 0.02 0.00 -2.04 0.00 0.00 64.05 62.05 1i5j n THR 62 Cb 0.57 -0.35 0.32 0.00 -1.82 0.00 0.00 70.33 69.04 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 0.11 0.00 -0.47 -1.42 5.03 -1.74 -2.54 116.97 115.93 1i5j h TYR 63 Ca 0.00 0.00 0.14 0.00 2.58 0.00 0.00 58.73 61.45 1i5j h TYR 63 Cb 0.02 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.28 1i5j h TYR 63 CO 0.00 0.43 0.50 1.79 -1.32 0.00 0.00 178.16 179.57 1i5j h THR 64 N 0.00 0.36 0.00 1.81 1.35 -1.81 1.00 112.91 115.62 1i5j h THR 64 Ca -0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.73 1i5j h THR 64 Cb 0.79 0.61 -0.02 0.00 -1.73 0.00 0.00 68.15 67.80 1i5j h THR 64 CO 0.06 0.00 -1.30 1.23 -0.25 0.00 0.00 175.52 175.26 1i5j h GLY 65 N 0.00 0.00 0.85 5.82 0.00 -1.73 -3.33 103.07 104.68 1i5j h GLY 65 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1i5j h GLY 65 CO -0.00 0.00 -0.55 1.39 0.00 0.00 0.00 176.54 177.37 1i5j n ILE 66 N -2.85 0.00 -0.07 2.60 2.08 0.28 -4.12 119.36 117.28 1i5j n ILE 66 Ca -0.07 -0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.12 1i5j n ILE 66 Cb 0.77 0.35 -0.05 0.00 -0.75 0.00 0.00 39.64 39.96 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 0.05 0.43 -0.55 1.39 3.04 0.28 -2.91 116.94 118.67 1i5j h PHE 67 Ca 0.00 -0.09 0.16 0.00 3.98 0.00 0.00 57.97 62.02 1i5j h PHE 67 Cb 0.50 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.88 1i5j h PHE 67 CO 0.00 0.61 0.61 1.15 -2.02 0.00 0.00 178.31 178.66 1i5j h THR 68 N 0.12 0.29 -0.50 4.41 2.02 -1.75 0.82 112.91 118.33 1i5j h THR 68 Ca 0.06 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.35 1i5j h THR 68 Cb 0.46 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1i5j h THR 68 CO 0.02 0.00 0.34 0.44 0.37 0.00 0.00 175.52 176.69 1i5j h ASP 69 N 0.00 0.16 0.12 4.18 3.32 -1.75 0.43 116.42 122.87 1i5j h ASP 69 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1i5j h ASP 69 Cb 1.48 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.00 1i5j h ASP 69 CO -0.00 0.10 -0.11 1.67 -1.72 0.00 0.00 179.24 179.18 1i5j n GLN 70 N -4.44 1.22 -0.03 3.56 -0.06 0.28 -3.45 117.38 114.46 1i5j n GLN 70 Ca 0.08 -0.67 -0.03 0.00 -2.00 0.00 0.00 57.00 54.38 1i5j n GLN 70 Cb 0.44 -1.49 -0.01 0.00 -4.06 0.00 0.00 30.24 25.13 1i5j n GLN 70 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1i5j n VAL 71 N -0.31 0.54 -0.18 1.69 0.31 0.13 -3.98 118.33 116.54 1i5j n VAL 71 Ca 0.16 0.37 0.28 0.00 -0.01 0.00 0.00 64.34 65.15 1i5j n VAL 71 Cb 0.33 -1.80 0.72 0.00 -0.91 0.00 0.00 33.84 32.18 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 -0.36 0.00 -1.04 7.52 8.10 -1.30 1.46 115.31 129.69 1i5j h LEU 72 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.90 1i5j h LEU 72 Cb 0.35 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.56 1i5j h LEU 72 CO 0.00 0.00 -0.41 0.28 -4.11 0.00 0.00 178.44 174.20 1i5j h SER 73 N 0.00 0.00 0.00 0.17 0.02 -1.75 -1.26 113.55 110.72 1i5j h SER 73 Ca 0.42 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.36 1i5j h SER 73 Cb 1.70 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.24 1i5j h SER 73 CO -0.00 0.41 -1.92 0.52 -1.14 0.00 0.00 176.83 174.70 1i5j n VAL 74 N -3.71 0.05 -0.05 2.27 0.31 0.32 -3.56 118.33 113.95 1i5j n VAL 74 Ca -0.01 -0.46 -0.12 0.00 -0.01 0.00 0.00 64.34 63.73 1i5j n VAL 74 Cb 0.49 0.03 -0.07 0.00 -0.91 0.00 0.00 33.84 33.38 1i5j n VAL 74 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1i5j h LEU 75 N 0.00 0.33 0.00 7.52 3.38 0.16 -3.45 115.31 123.24 1i5j h LEU 75 Ca -0.02 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1i5j h LEU 75 Cb 0.95 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1i5j h LEU 75 CO 0.00 0.67 0.00 0.29 0.09 0.00 0.00 178.44 179.49 1i5j n LYS 76 N -4.64 0.00 -2.65 1.13 5.02 -1.12 -5.06 118.16 110.85 1i5j n LYS 76 Ca -0.06 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.20 1i5j n LYS 76 Cb 0.30 -0.03 -0.01 0.00 -0.02 0.00 0.00 35.03 35.27 1i5j n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i5j n GLY 77 N 2.03 -1.19 1.53 0.72 0.00 -1.20 -5.01 105.19 102.08 1i5j n GLY 77 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.33 -0.04 0.00 1.61 2.13 -0.56 -4.91 120.64 118.54 1i5j n GLU 78 Ca -0.28 0.17 0.15 0.00 0.66 0.00 0.00 57.16 57.87 1i5j n GLU 78 Cb 0.64 -1.58 0.67 0.00 0.27 0.00 0.00 31.44 31.44 1i5j n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81