#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 -0.18 4.78 7.35 -1.26 -4.81 117.46 123.34 1i5j n PHE 14 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1i5j n PHE 14 Cb 0.00 0.19 0.01 0.00 0.35 0.00 0.00 39.48 40.04 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 0.75 -2.11 -2.13 3.38 -2.07 -2.25 115.31 110.88 1i5j h LEU 15 Ca 0.00 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.84 1i5j h LEU 15 Cb 0.38 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1i5j h LEU 15 CO 0.00 0.75 0.32 0.74 0.09 0.00 0.00 178.44 180.33 1i5j h THR 16 N 0.72 0.31 -0.08 0.22 2.02 -2.02 -1.21 112.91 112.88 1i5j h THR 16 Ca 0.17 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 1i5j h THR 16 Cb 0.26 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1i5j h THR 16 CO -0.01 0.00 0.03 1.56 0.37 0.00 0.00 175.52 177.47 1i5j h GLN 17 N 0.00 0.12 -0.84 6.66 4.20 -1.71 -2.54 115.11 121.00 1i5j h GLN 17 Ca 0.11 -0.02 0.18 0.00 0.06 0.00 0.00 58.65 58.98 1i5j h GLN 17 Cb 0.74 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.44 1i5j h GLN 17 CO -0.00 0.24 0.56 0.28 -0.67 0.00 0.00 178.83 179.24 1i5j h VAL 18 N -0.03 0.72 0.66 -0.54 2.07 -1.32 0.18 116.25 117.99 1i5j h VAL 18 Ca 0.03 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1i5j h VAL 18 Cb 0.17 0.30 0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1i5j h VAL 18 CO -0.00 0.07 -0.32 0.11 0.02 0.00 0.00 177.57 177.45 1i5j h LYS 19 N 0.39 -0.85 -0.01 1.57 1.57 -1.48 0.34 116.57 118.10 1i5j h LYS 19 Ca 0.42 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 1i5j h LYS 19 Cb 1.06 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 1i5j h LYS 19 CO -0.14 -0.57 0.04 0.93 -0.57 0.00 0.00 179.45 179.14 1i5j h GLU 20 N -1.08 0.00 0.02 3.15 4.39 -1.08 0.14 114.58 120.13 1i5j h GLU 20 Ca -0.09 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1i5j h GLU 20 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1i5j h GLU 20 CO 0.15 0.00 -0.01 1.03 -1.16 0.00 0.00 179.01 179.02 1i5j h SER 21 N 0.00 -0.02 -0.08 1.42 0.87 -0.40 -2.45 113.55 112.89 1i5j h SER 21 Ca 0.01 -0.36 -0.03 0.00 -1.23 0.00 0.00 61.79 60.17 1i5j h SER 21 Cb 0.08 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1i5j h SER 21 CO -0.00 0.65 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.86 1i5j h LEU 22 N -0.99 0.24 -0.31 2.23 -0.00 0.07 -2.17 115.31 114.38 1i5j h LEU 22 Ca -0.00 -0.03 -0.18 0.00 -0.00 0.00 0.00 57.88 57.66 1i5j h LEU 22 Cb 0.39 -0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1i5j h LEU 22 CO 0.00 0.31 -0.53 -1.28 -0.00 0.00 0.00 178.44 176.94 1i5j h SER 23 N 0.26 0.98 -0.07 -0.43 0.87 -0.85 -3.04 113.55 111.27 1i5j h SER 23 Ca 0.06 -0.52 -0.05 0.00 -1.23 0.00 0.00 61.79 60.05 1i5j h SER 23 Cb 0.21 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1i5j h SER 23 CO 0.01 1.32 -0.10 0.28 -0.53 0.00 0.00 176.83 177.81 1i5j h SER 24 N 0.68 0.33 -0.71 6.23 0.02 -0.92 0.88 113.55 120.06 1i5j h SER 24 Ca 0.02 -0.07 0.09 0.00 -0.84 0.00 0.00 61.79 60.99 1i5j h SER 24 Cb 1.14 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.55 1i5j h SER 24 CO 0.12 0.47 0.47 0.22 -1.14 0.00 0.00 176.83 176.97 1i5j h TYR 25 N 0.33 0.66 0.00 3.45 5.03 -1.29 -1.12 116.97 124.03 1i5j h TYR 25 Ca 0.07 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.40 1i5j h TYR 25 Cb 0.38 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.45 1i5j h TYR 25 CO 0.01 0.32 -1.78 0.91 -1.32 0.00 0.00 178.16 176.30 1i5j n TRP 26 N -4.49 0.01 -0.09 -3.82 7.02 -0.73 -4.33 117.44 111.02 1i5j n TRP 26 Ca 0.12 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.48 1i5j n TRP 26 Cb 0.32 -0.40 0.01 0.00 -2.42 0.00 0.00 31.31 28.83 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 0.84 -0.71 -0.99 4.81 0.19 -2.47 114.58 116.25 1i5j h GLU 27 Ca 0.00 -0.44 -0.07 0.00 -0.13 0.00 0.00 59.36 58.72 1i5j h GLU 27 Cb 0.89 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 1i5j h GLU 27 CO 0.00 1.07 0.17 1.03 -0.73 0.00 0.00 179.01 180.55 1i5j h SER 28 N 0.69 1.07 -0.32 1.04 0.87 -1.45 0.51 113.55 115.96 1i5j h SER 28 Ca 0.06 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.35 1i5j h SER 28 Cb 0.96 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 1i5j h SER 28 CO 0.09 1.03 0.09 0.00 -0.53 0.00 0.00 176.83 177.50 1i5j h ALA 29 N 1.10 1.41 0.00 6.23 0.00 -1.73 0.21 119.26 126.49 1i5j h ALA 29 Ca 0.22 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1i5j h ALA 29 Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1i5j h ALA 29 CO 0.00 0.43 -0.38 0.87 0.00 0.00 0.00 179.25 180.17 1i5j h LYS 30 N 0.58 0.00 0.13 0.00 6.56 -0.89 -2.78 116.57 120.18 1i5j h LYS 30 Ca 0.13 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.72 1i5j h LYS 30 Cb 0.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1i5j h LYS 30 CO -0.00 0.38 -0.06 1.15 -2.06 0.00 0.00 179.45 178.85 1i5j h THR 31 N 0.00 0.58 0.00 -0.16 2.02 0.14 -0.84 112.91 114.65 1i5j h THR 31 Ca -0.00 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.00 1i5j h THR 31 Cb 1.28 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1i5j h THR 31 CO 0.05 0.17 -0.01 0.00 0.37 0.00 0.00 175.52 176.10 1i5j h ALA 32 N -0.62 1.31 0.00 6.16 0.00 -0.75 0.81 119.26 126.16 1i5j h ALA 32 Ca -0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1i5j h ALA 32 Cb 0.42 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1i5j h ALA 32 CO 0.03 0.01 -0.99 0.00 0.00 0.00 0.00 179.25 178.30 1i5j h ALA 33 N 1.99 0.64 0.16 0.00 0.00 -1.52 -3.33 119.26 117.20 1i5j h ALA 33 Ca -0.00 -0.43 -0.32 0.00 0.00 0.00 0.00 54.91 54.16 1i5j h ALA 33 Cb 0.03 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1i5j h ALA 33 CO 0.00 0.49 -1.59 1.96 0.00 0.00 0.00 179.25 180.12 1i5j h GLN 34 N 0.00 0.33 0.33 0.00 4.20 0.57 -3.21 115.11 117.33 1i5j h GLN 34 Ca -0.07 -0.56 -0.00 0.00 0.06 0.00 0.00 58.65 58.08 1i5j h GLN 34 Cb 1.31 0.21 -0.02 0.00 0.30 0.00 0.00 27.48 29.28 1i5j h GLN 34 CO 0.03 1.22 -0.32 -0.97 -0.67 0.00 0.00 178.83 178.12 1i5j h ASN 35 N 0.09 -0.87 0.34 1.46 -0.73 -1.09 1.14 115.58 115.92 1i5j h ASN 35 Ca -0.27 0.08 -0.05 0.00 1.87 0.00 0.00 56.30 57.93 1i5j h ASN 35 Cb 2.06 0.29 -0.01 0.00 0.27 0.00 0.00 38.32 40.94 1i5j h ASN 35 CO 0.18 -0.46 -0.22 0.25 -0.37 0.00 0.00 177.43 176.81 1i5j h LEU 36 N -0.68 0.00 -0.97 0.34 7.12 -1.73 1.16 115.31 120.55 1i5j h LEU 36 Ca -0.02 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.99 1i5j h LEU 36 Cb 0.62 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.75 1i5j h LEU 36 CO -0.06 0.22 -0.36 -1.22 -0.13 0.00 0.00 178.44 176.90 1i5j n TYR 37 N -3.98 0.00 0.08 1.25 4.02 -0.98 -3.76 117.16 113.79 1i5j n TYR 37 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1i5j n TYR 37 Cb 0.30 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 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 -0.02 0.00 -0.28 -0.72 -0.58 0.39 -4.60 120.64 114.83 1i5j n GLU 38 Ca 0.11 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.89 1i5j n GLU 38 Cb 0.45 -0.01 0.18 0.00 -0.57 0.00 0.00 31.44 31.50 1i5j n GLU 38 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1i5j h LYS 39 N 0.00 0.66 0.11 3.49 1.79 -0.05 -0.89 116.57 121.68 1i5j h LYS 39 Ca 0.00 -0.04 -0.31 0.00 -2.18 0.00 0.00 60.65 58.12 1i5j h LYS 39 Cb 0.00 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 1i5j h LYS 39 CO 0.00 0.44 -1.59 1.15 -1.08 0.00 0.00 179.45 178.37 1i5j h THR 40 N 0.68 1.07 0.26 -0.16 2.02 0.89 -3.32 112.91 114.36 1i5j h THR 40 Ca 0.41 -2.74 -0.01 0.00 0.77 0.00 0.00 66.41 64.84 1i5j h THR 40 Cb 0.47 2.70 -0.00 0.00 -1.74 0.00 0.00 68.15 69.59 1i5j h THR 40 CO -0.30 0.80 -0.16 0.22 0.37 0.00 0.00 175.52 176.46 1i5j h TYR 41 N 0.06 -0.42 -4.37 3.16 3.20 -1.54 -3.44 116.97 113.63 1i5j h TYR 41 Ca -0.26 -0.00 -0.51 0.00 3.14 0.00 0.00 58.73 61.10 1i5j h TYR 41 Cb 2.02 0.15 0.08 0.00 1.54 0.00 0.00 36.73 40.51 1i5j h TYR 41 CO 0.06 -0.24 0.40 -0.51 -1.64 0.00 0.00 178.16 176.23 1i5j s LEU 42 N -6.01 3.08 -0.35 2.82 1.43 -0.38 -4.88 118.68 114.39 1i5j s LEU 42 Ca -0.06 1.42 -0.13 0.00 -1.03 0.00 0.00 54.13 54.33 1i5j s LEU 42 Cb 0.01 -4.33 -0.13 0.00 0.03 0.00 0.00 46.19 41.77 1i5j s LEU 42 CO 0.19 -1.23 1.56 -2.65 0.23 0.00 0.00 176.35 174.45 1i5j n PRO 43 N -2.97 0.74 -2.21 1.29 -0.02 -1.26 -4.23 135.00 126.33 1i5j n PRO 43 Ca 0.07 -1.07 -0.08 0.00 -2.02 0.00 0.00 63.50 60.39 1i5j n PRO 43 Cb 0.55 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 1i5j n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i5j n ALA 44 N 6.20 -0.71 0.13 3.55 0.00 -1.25 -4.78 120.51 123.65 1i5j n ALA 44 Ca 0.30 0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.81 1i5j n ALA 44 Cb 0.20 -1.10 0.10 0.00 0.00 0.00 0.00 19.45 18.65 1i5j n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1i5j h VAL 45 N 0.00 1.33 -0.72 0.00 2.07 -1.85 -3.18 116.25 113.90 1i5j h VAL 45 Ca -0.18 -2.38 -0.04 0.00 0.82 0.00 0.00 66.70 64.91 1i5j h VAL 45 Cb 1.01 2.34 -0.03 0.00 -1.52 0.00 0.00 31.29 33.09 1i5j h VAL 45 CO 0.23 0.65 0.27 0.44 0.02 0.00 0.00 177.57 179.18 1i5j h ASP 46 N 0.00 0.98 -0.13 0.57 5.19 -1.86 -2.91 116.42 118.27 1i5j h ASP 46 Ca -0.01 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.25 1i5j h ASP 46 Cb 1.28 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.53 1i5j h ASP 46 CO 0.09 0.88 0.06 -0.33 -3.12 0.00 0.00 179.24 176.82 1i5j h GLU 47 N 1.04 0.18 -0.97 3.56 5.08 -1.91 0.81 114.58 122.38 1i5j h GLU 47 Ca 0.24 -0.03 0.25 0.00 -1.00 0.00 0.00 59.36 58.82 1i5j h GLU 47 Cb 0.22 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 1i5j h GLU 47 CO -0.02 0.26 0.65 0.87 -1.00 0.00 0.00 179.01 179.77 1i5j h LYS 48 N 0.07 0.26 0.00 2.33 6.56 -1.55 1.04 116.57 125.28 1i5j h LYS 48 Ca 0.04 -0.02 -0.09 0.00 -1.06 0.00 0.00 60.65 59.53 1i5j h LYS 48 Cb 0.13 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.72 1i5j h LYS 48 CO -0.00 0.17 -1.48 1.28 -2.06 0.00 0.00 179.45 177.36 1i5j n LEU 49 N -4.45 0.59 -1.15 2.94 4.77 -0.90 -4.02 117.00 114.78 1i5j n LEU 49 Ca 0.21 0.25 0.11 0.00 -0.03 0.00 0.00 56.01 56.55 1i5j n LEU 49 Cb 0.86 0.05 0.28 0.00 -2.33 0.00 0.00 43.42 42.27 1i5j n LEU 49 CO 0.32 0.02 0.74 0.54 -1.33 0.00 0.00 177.39 177.68 1i5j n ARG 50 N -2.66 2.45 -0.06 3.23 5.12 0.28 -4.32 116.66 120.71 1i5j n ARG 50 Ca -0.07 -2.24 -0.17 0.00 -1.93 0.00 0.00 57.85 53.44 1i5j n ARG 50 Cb 0.70 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 30.38 1i5j n ARG 50 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1i5j h ASP 51 N 3.86 0.09 -1.21 0.55 5.19 0.75 -3.01 116.42 122.65 1i5j h ASP 51 Ca 0.00 -0.87 0.35 0.00 -0.62 0.00 0.00 57.03 55.89 1i5j h ASP 51 Cb 0.87 -0.03 -0.09 0.00 0.18 0.00 0.00 39.33 40.26 1i5j h ASP 51 CO 0.00 1.22 0.81 0.17 -3.12 0.00 0.00 179.24 178.32 1i5j h LEU 52 N -0.86 0.25 0.06 1.55 -0.00 -1.79 0.30 115.31 114.82 1i5j h LEU 52 Ca -0.12 0.07 -0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1i5j h LEU 52 Cb 1.22 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.92 1i5j h LEU 52 CO -0.02 -0.02 -0.03 0.22 -0.00 0.00 0.00 178.44 178.59 1i5j h TYR 53 N 0.19 -0.07 -0.04 0.17 3.20 -1.82 -1.95 116.97 116.64 1i5j h TYR 53 Ca 0.67 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.54 1i5j h TYR 53 Cb 2.13 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 40.42 1i5j h TYR 53 CO -0.00 0.43 0.01 0.45 -1.64 0.00 0.00 178.16 177.40 1i5j n SER 54 N -4.77 1.55 0.00 -2.11 2.88 -0.32 -1.56 113.62 109.29 1i5j n SER 54 Ca -0.06 -2.07 0.00 0.00 -1.33 0.00 0.00 58.87 55.41 1i5j n SER 54 Cb 0.26 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 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 0.09 0.49 0.01 -1.46 0.00 0.90 -4.04 118.16 114.15 1i5j n LYS 55 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 58.31 58.44 1i5j n LYS 55 Cb 0.35 -0.65 -0.11 0.00 0.00 0.00 0.00 35.03 34.61 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 -1.46 0.37 -0.02 3.14 7.64 -0.73 -3.00 113.62 119.56 1i5j n SER 56 Ca 0.00 -0.20 0.01 0.00 1.01 0.00 0.00 58.87 59.69 1i5j n SER 56 Cb 0.15 1.46 -0.07 0.00 -1.01 0.00 0.00 64.21 64.75 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 -2.10 0.22 -0.09 0.44 -1.04 -0.60 -4.32 114.28 106.79 1i5j n THR 57 Ca -0.01 -0.26 -0.15 0.00 -2.04 0.00 0.00 64.05 61.59 1i5j n THR 57 Cb 0.50 -0.11 -0.08 0.00 -1.82 0.00 0.00 70.33 68.82 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 -2.00 1.67 1.90 2.41 0.00 -1.20 -3.33 120.51 119.96 1i5j n ALA 58 Ca -0.06 -0.76 0.13 0.00 0.00 0.00 0.00 53.44 52.75 1i5j n ALA 58 Cb 0.44 0.14 0.74 0.00 0.00 0.00 0.00 19.45 20.77 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 -3.30 2.64 -0.00 0.00 0.00 -1.16 -2.22 120.51 116.47 1i5j n ALA 59 Ca -0.34 -0.22 -0.00 0.00 0.00 0.00 0.00 53.44 52.89 1i5j n ALA 59 Cb 0.81 -1.39 -0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.74 1.27 0.08 0.00 2.81 -1.23 -4.67 117.12 114.64 1i5j n MET 60 Ca 0.20 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.22 1i5j n MET 60 Cb 0.13 -1.01 0.32 0.00 -0.71 0.00 0.00 33.22 31.95 1i5j n MET 60 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1i5j n SER 61 N -2.36 0.73 -0.15 7.83 2.88 -1.21 -3.56 113.62 117.78 1i5j n SER 61 Ca -0.01 0.39 -0.10 0.00 -1.33 0.00 0.00 58.87 57.82 1i5j n SER 61 Cb 0.51 -0.41 0.03 0.00 -0.75 0.00 0.00 64.21 63.59 1i5j n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i5j h THR 62 N 0.00 1.27 0.02 2.46 1.03 -1.68 -3.07 112.91 112.93 1i5j h THR 62 Ca 0.00 -1.33 -0.20 0.00 -0.01 0.00 0.00 66.41 64.87 1i5j h THR 62 Cb 0.72 1.09 -0.02 0.00 -1.07 0.00 0.00 68.15 68.87 1i5j h THR 62 CO 0.00 0.46 -0.93 0.22 -0.01 0.00 0.00 175.52 175.26 1i5j h TYR 63 N 0.84 0.15 -0.30 0.00 3.20 -1.84 -3.15 116.97 115.87 1i5j h TYR 63 Ca 0.12 -0.09 0.09 0.00 3.14 0.00 0.00 58.73 61.98 1i5j h TYR 63 Cb 0.74 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1i5j h TYR 63 CO 0.05 0.96 0.38 1.79 -1.64 0.00 0.00 178.16 179.70 1i5j h THR 64 N 0.04 0.32 0.00 1.81 1.35 -1.58 1.28 112.91 116.12 1i5j h THR 64 Ca -0.03 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.76 1i5j h THR 64 Cb 1.60 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.70 1i5j h THR 64 CO 0.13 0.00 -0.31 1.23 -0.25 0.00 0.00 175.52 176.32 1i5j h GLY 65 N 0.00 0.00 0.00 5.82 0.00 -1.59 -3.21 103.07 104.09 1i5j h GLY 65 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1i5j h GLY 65 CO -0.00 0.00 -1.24 1.39 0.00 0.00 0.00 176.54 176.69 1i5j n ILE 66 N -3.20 0.00 -0.03 2.60 -0.00 0.36 -3.78 119.36 115.31 1i5j n ILE 66 Ca 0.02 -0.22 -0.13 0.00 -0.00 0.00 0.00 62.75 62.43 1i5j n ILE 66 Cb 0.64 0.63 -0.10 0.00 -0.00 0.00 0.00 39.64 40.81 1i5j n ILE 66 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.55 176.70 1i5j h PHE 67 N 0.00 0.10 0.00 1.39 3.04 0.74 -3.23 116.94 118.98 1i5j h PHE 67 Ca 0.00 -0.04 -0.08 0.00 3.98 0.00 0.00 57.97 61.83 1i5j h PHE 67 Cb 0.59 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.07 1i5j h PHE 67 CO 0.00 0.64 -0.38 1.15 -2.02 0.00 0.00 178.31 177.70 1i5j h THR 68 N -0.46 0.70 -0.14 4.41 2.02 -1.77 -3.21 112.91 114.45 1i5j h THR 68 Ca 0.00 -1.83 0.04 0.00 0.77 0.00 0.00 66.41 65.40 1i5j h THR 68 Cb 0.63 2.22 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 1i5j h THR 68 CO 0.01 0.37 0.12 -0.78 0.37 0.00 0.00 175.52 175.61 1i5j h ASP 69 N 0.00 0.00 -0.08 4.18 3.58 -1.65 0.14 116.42 122.59 1i5j h ASP 69 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1i5j h ASP 69 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1i5j h ASP 69 CO 0.05 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.41 1i5j n GLN 70 N -4.19 1.95 0.00 0.28 10.64 -1.21 -3.74 117.38 121.11 1i5j n GLN 70 Ca 0.00 -1.40 0.00 0.00 -1.83 0.00 0.00 57.00 53.78 1i5j n GLN 70 Cb 0.24 -1.46 0.00 0.00 -0.86 0.00 0.00 30.24 28.15 1i5j n GLN 70 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1i5j n VAL 71 N 0.67 0.00 -0.08 -0.39 0.31 0.45 -3.89 118.33 115.40 1i5j n VAL 71 Ca 0.17 0.47 0.25 0.00 -0.01 0.00 0.00 64.34 65.22 1i5j n VAL 71 Cb 0.45 -1.47 0.72 0.00 -0.91 0.00 0.00 33.84 32.63 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 0.00 0.00 -0.97 7.52 -0.00 -1.68 1.45 115.31 121.63 1i5j h LEU 72 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.78 1i5j h LEU 72 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1i5j h LEU 72 CO 0.00 0.00 -0.49 0.28 -0.00 0.00 0.00 178.44 178.23 1i5j h SER 73 N 0.00 0.00 0.00 0.17 0.02 -1.78 0.04 113.55 112.01 1i5j h SER 73 Ca 0.34 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 1i5j h SER 73 Cb 1.51 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.05 1i5j h SER 73 CO -0.00 0.49 -1.92 0.52 -1.14 0.00 0.00 176.83 174.78 1i5j n VAL 74 N -3.83 0.05 -0.04 2.27 0.31 0.32 -3.64 118.33 113.77 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 0.53 0.03 -0.07 0.00 -0.91 0.00 0.00 33.84 33.41 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 0.24 0.00 7.52 3.38 0.15 -3.45 115.31 123.15 1i5j h LEU 75 Ca -0.02 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1i5j h LEU 75 Cb 0.95 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1i5j h LEU 75 CO 0.00 0.59 0.00 0.29 0.09 0.00 0.00 178.44 179.41 1i5j n LYS 76 N -4.71 0.00 -2.65 1.13 4.76 -1.10 -5.06 118.16 110.53 1i5j n LYS 76 Ca -0.06 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.35 1i5j n LYS 76 Cb 0.27 -0.03 -0.02 0.00 -1.84 0.00 0.00 35.03 33.41 1i5j n LYS 76 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i5j n GLY 77 N 2.03 -1.06 1.37 0.72 0.00 -1.16 -5.00 105.19 102.10 1i5j n GLY 77 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.42 -0.05 0.00 1.61 2.13 -0.09 -4.90 120.64 118.92 1i5j n GLU 78 Ca -0.29 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.54 1i5j n GLU 78 Cb 0.63 -1.86 0.00 0.00 0.27 0.00 0.00 31.44 30.48 1i5j n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81