#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 -1.72 0.30 4.78 7.35 -1.26 -4.90 117.46 122.00 1i5j n PHE 14 Ca 0.00 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.88 1i5j n PHE 14 Cb 0.00 0.34 0.99 0.00 0.35 0.00 0.00 39.48 41.16 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 -1.78 -2.13 3.38 -2.08 -2.54 115.31 110.16 1i5j h LEU 15 Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 1i5j h LEU 15 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1i5j h LEU 15 CO 0.00 0.00 0.59 0.74 0.09 0.00 0.00 178.44 179.86 1i5j h THR 16 N 0.00 0.26 -0.89 0.22 2.02 -2.01 -1.47 112.91 111.05 1i5j h THR 16 Ca 0.00 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.42 1i5j h THR 16 Cb 0.09 0.52 -0.14 0.00 -1.74 0.00 0.00 68.15 66.88 1i5j h THR 16 CO 0.00 0.00 0.28 -0.61 0.37 0.00 0.00 175.52 175.56 1i5j h GLN 17 N 0.00 0.24 -0.41 6.66 -0.00 -1.87 0.49 115.11 120.22 1i5j h GLN 17 Ca 0.23 -0.01 -0.09 0.00 -0.00 0.00 0.00 58.65 58.78 1i5j h GLN 17 Cb 1.41 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 28.82 1i5j h GLN 17 CO -0.00 0.16 -0.11 0.28 0.00 0.00 0.00 178.83 179.16 1i5j h VAL 18 N 0.25 1.25 0.90 2.39 2.07 -1.55 -1.85 116.25 119.71 1i5j h VAL 18 Ca 0.56 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 1i5j h VAL 18 Cb 1.14 1.06 0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1i5j h VAL 18 CO -0.63 0.39 -0.43 0.50 0.02 0.00 0.00 177.57 177.42 1i5j h LYS 19 N 0.66 -1.16 -0.03 1.57 1.63 -0.22 0.11 116.57 119.13 1i5j h LYS 19 Ca 0.11 0.08 0.01 0.00 -0.85 0.00 0.00 60.65 60.00 1i5j h LYS 19 Cb 0.57 0.26 -0.00 0.00 -0.60 0.00 0.00 32.23 32.46 1i5j h LYS 19 CO 0.04 -0.78 0.14 0.93 -3.45 0.00 0.00 179.45 176.33 1i5j h GLU 20 N -1.32 0.00 0.14 1.90 4.39 -1.20 0.21 114.58 118.70 1i5j h GLU 20 Ca -0.12 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1i5j h GLU 20 Cb 0.93 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1i5j h GLU 20 CO 0.20 0.00 -0.07 1.03 -1.16 0.00 0.00 179.01 179.02 1i5j h SER 21 N 0.00 -0.16 -0.28 1.42 0.87 -0.70 -2.53 113.55 112.18 1i5j h SER 21 Ca 0.01 -0.26 -0.04 0.00 -1.23 0.00 0.00 61.79 60.28 1i5j h SER 21 Cb 0.29 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 1i5j h SER 21 CO -0.00 0.42 0.07 -0.07 -0.53 0.00 0.00 176.83 176.72 1i5j h LEU 22 N -0.98 0.49 -1.19 2.23 3.38 -0.11 -1.69 115.31 117.44 1i5j h LEU 22 Ca -0.02 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1i5j h LEU 22 Cb 0.41 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1i5j h LEU 22 CO 0.03 0.52 -0.14 0.28 0.09 0.00 0.00 178.44 179.22 1i5j h SER 23 N 0.52 0.38 -0.40 -0.43 0.02 -0.70 -2.22 113.55 110.73 1i5j h SER 23 Ca 0.12 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 1i5j h SER 23 Cb 0.24 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1i5j h SER 23 CO -0.00 0.55 0.03 0.28 -1.14 0.00 0.00 176.83 176.55 1i5j h SER 24 N 0.37 0.72 -0.73 3.07 0.02 -0.85 0.92 113.55 117.06 1i5j h SER 24 Ca 0.07 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 60.92 1i5j h SER 24 Cb 0.47 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 1i5j h SER 24 CO 0.03 0.77 0.48 0.22 -1.14 0.00 0.00 176.83 177.19 1i5j h TYR 25 N 0.72 0.81 0.00 3.45 3.20 -1.16 -1.08 116.97 122.90 1i5j h TYR 25 Ca 0.15 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1i5j h TYR 25 Cb 0.39 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.40 1i5j h TYR 25 CO 0.02 0.44 -1.19 0.91 -1.64 0.00 0.00 178.16 176.70 1i5j n TRP 26 N -4.47 0.43 -0.20 -3.82 7.02 -0.78 -4.20 117.44 111.42 1i5j n TRP 26 Ca 0.10 0.13 -0.08 0.00 -1.02 0.00 0.00 57.50 56.63 1i5j n TRP 26 Cb 0.19 -0.61 0.02 0.00 -2.42 0.00 0.00 31.31 28.50 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 0.88 -0.68 -0.99 4.22 0.22 -1.49 114.58 116.74 1i5j h GLU 27 Ca 0.00 -0.19 -0.05 0.00 0.08 0.00 0.00 59.36 59.21 1i5j h GLU 27 Cb 0.86 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1i5j h GLU 27 CO 0.00 0.79 0.23 1.03 -2.18 0.00 0.00 179.01 178.88 1i5j h SER 28 N 0.80 0.95 -0.32 1.04 0.87 -1.64 0.36 113.55 115.61 1i5j h SER 28 Ca 0.19 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1i5j h SER 28 Cb 0.27 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1i5j h SER 28 CO -0.01 0.87 0.14 0.00 -0.53 0.00 0.00 176.83 177.31 1i5j h ALA 29 N 1.26 1.55 0.00 6.23 0.00 -1.63 0.22 119.26 126.88 1i5j h ALA 29 Ca 0.22 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1i5j h ALA 29 Cb 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1i5j h ALA 29 CO -0.01 0.35 -0.71 -0.22 0.00 0.00 0.00 179.25 178.66 1i5j h LYS 30 N 0.53 0.00 0.35 0.00 3.64 -0.17 -3.01 116.57 117.90 1i5j h LYS 30 Ca 0.13 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1i5j h LYS 30 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1i5j h LYS 30 CO -0.01 0.71 -0.17 1.15 -2.27 0.00 0.00 179.45 178.86 1i5j h THR 31 N 0.00 0.55 -0.08 1.00 2.02 0.13 -1.36 112.91 115.17 1i5j h THR 31 Ca -0.01 -0.66 0.02 0.00 0.77 0.00 0.00 66.41 66.54 1i5j h THR 31 Cb 1.43 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.67 1i5j h THR 31 CO 0.09 0.11 0.15 0.00 0.37 0.00 0.00 175.52 176.24 1i5j h ALA 32 N -0.47 1.48 0.00 6.16 0.00 -1.13 0.37 119.26 125.67 1i5j h ALA 32 Ca -0.05 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 1i5j h ALA 32 Cb 0.53 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1i5j h ALA 32 CO 0.08 -0.20 -0.97 0.00 0.00 0.00 0.00 179.25 178.16 1i5j h ALA 33 N 1.77 0.39 -0.02 0.00 0.00 -1.36 -3.14 119.26 116.90 1i5j h ALA 33 Ca 0.04 -0.89 -0.07 0.00 0.00 0.00 0.00 54.91 54.00 1i5j h ALA 33 Cb 0.35 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1i5j h ALA 33 CO -0.00 1.22 -0.24 1.96 0.00 0.00 0.00 179.25 182.18 1i5j h GLN 34 N 0.00 0.20 -0.30 0.00 4.20 0.84 -2.88 115.11 117.17 1i5j h GLN 34 Ca -0.01 -0.19 0.07 0.00 0.06 0.00 0.00 58.65 58.58 1i5j h GLN 34 Cb 1.72 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 29.47 1i5j h GLN 34 CO 0.13 0.89 -0.25 -0.97 -0.67 0.00 0.00 178.83 177.96 1i5j h ASN 35 N -0.42 -0.80 -0.26 1.46 -1.24 -1.29 1.16 115.58 114.18 1i5j h ASN 35 Ca -0.03 0.15 -0.03 0.00 0.71 0.00 0.00 56.30 57.11 1i5j h ASN 35 Cb 0.96 0.39 -0.02 0.00 0.73 0.00 0.00 38.32 40.38 1i5j h ASN 35 CO 0.05 -0.28 0.10 0.25 -1.29 0.00 0.00 177.43 176.26 1i5j h LEU 36 N -0.22 0.43 -1.25 0.34 5.85 -1.64 1.42 115.31 120.23 1i5j h LEU 36 Ca 0.15 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1i5j h LEU 36 Cb 0.47 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1i5j h LEU 36 CO -0.43 0.42 -0.11 0.00 -0.34 0.00 0.00 178.44 177.98 1i5j n TYR 37 N -4.37 0.00 0.11 1.25 9.36 -0.38 -4.01 117.16 119.12 1i5j n TYR 37 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 1i5j n TYR 37 Cb 0.16 -0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.86 1i5j n TYR 37 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1i5j n GLU 38 N 0.45 0.00 0.27 2.98 1.02 0.39 -4.76 120.64 120.99 1i5j n GLU 38 Ca 0.15 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.15 1i5j n GLU 38 Cb 0.46 -0.07 -0.08 0.00 -0.02 0.00 0.00 31.44 31.73 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 -0.67 -0.00 3.49 1.79 0.12 -2.96 116.57 118.35 1i5j h LYS 39 Ca 0.00 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1i5j h LYS 39 Cb 0.03 0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1i5j h LYS 39 CO 0.00 -0.36 0.00 1.15 -1.08 0.00 0.00 179.45 179.16 1i5j h THR 40 N -0.99 0.13 -0.14 -0.16 2.02 0.12 -1.41 112.91 112.48 1i5j h THR 40 Ca -0.07 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.15 1i5j h THR 40 Cb 0.62 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1i5j h THR 40 CO 0.12 0.00 0.16 0.22 0.37 0.00 0.00 175.52 176.38 1i5j h TYR 41 N 0.00 0.00 -1.56 3.16 5.03 -1.65 -3.42 116.97 118.52 1i5j h TYR 41 Ca 0.00 0.00 -0.62 0.00 2.58 0.00 0.00 58.73 60.69 1i5j h TYR 41 Cb 0.01 0.00 -0.12 0.00 1.55 0.00 0.00 36.73 38.17 1i5j h TYR 41 CO 0.00 0.00 -0.57 -0.51 -1.32 0.00 0.00 178.16 175.76 1i5j s LEU 42 N -7.66 2.91 0.00 2.82 1.43 -0.53 -5.02 118.68 112.63 1i5j s LEU 42 Ca -0.05 -1.31 0.00 0.00 -1.03 0.00 0.00 54.13 51.74 1i5j s LEU 42 Cb 0.15 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.34 1i5j s LEU 42 CO 0.55 -0.50 0.56 -2.65 0.23 0.00 0.00 176.35 174.54 1i5j n PRO 43 N -1.06 0.86 -1.90 1.29 -0.02 -1.26 -4.80 135.00 128.11 1i5j n PRO 43 Ca -0.05 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.26 1i5j n PRO 43 Cb 0.66 -1.30 -0.04 0.00 -0.02 0.00 0.00 33.50 32.80 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 -0.10 -0.39 -0.10 3.55 0.00 -1.26 -4.86 120.51 117.35 1i5j n ALA 44 Ca 0.00 0.22 -0.11 0.00 0.00 0.00 0.00 53.44 53.55 1i5j n ALA 44 Cb 0.15 -1.88 -0.15 0.00 0.00 0.00 0.00 19.45 17.57 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 -3.20 1.41 0.28 0.00 0.31 -1.26 -3.28 118.33 112.59 1i5j n VAL 45 Ca -0.19 -0.82 0.16 0.00 -0.01 0.00 0.00 64.34 63.47 1i5j n VAL 45 Cb 0.62 -0.61 0.54 0.00 -0.91 0.00 0.00 33.84 33.48 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 0.00 0.00 0.00 4.52 5.19 -1.96 -2.94 116.42 121.24 1i5j h ASP 46 Ca -0.55 0.00 -0.40 0.00 -0.62 0.00 0.00 57.03 55.46 1i5j h ASP 46 Cb 2.20 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 41.64 1i5j h ASP 46 CO 0.02 0.00 -2.49 -1.84 -3.12 0.00 0.00 179.24 171.81 1i5j n GLU 47 N -3.02 0.64 0.25 3.56 -0.00 -1.26 -2.54 120.64 118.27 1i5j n GLU 47 Ca 0.02 0.17 0.16 0.00 -0.00 0.00 0.00 57.16 57.50 1i5j n GLU 47 Cb 0.36 -1.51 0.86 0.00 -0.00 0.00 0.00 31.44 31.14 1i5j n GLU 47 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1i5j h LYS 48 N -0.17 0.00 0.00 3.44 1.57 -1.61 -0.80 116.57 119.00 1i5j h LYS 48 Ca -0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 1i5j h LYS 48 Cb 1.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.16 1i5j h LYS 48 CO -0.15 0.00 -1.60 1.28 -0.57 0.00 0.00 179.45 178.41 1i5j n LEU 49 N -3.87 0.13 -3.30 2.94 4.77 -1.11 -4.71 117.00 111.85 1i5j n LEU 49 Ca -0.01 -0.09 -0.25 0.00 -0.03 0.00 0.00 56.01 55.64 1i5j n LEU 49 Cb 0.21 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1i5j n LEU 49 CO 0.28 0.03 -0.20 -1.14 -1.33 0.00 0.00 177.39 175.03 1i5j n ARG 50 N -1.97 1.13 0.07 3.23 0.63 -0.40 -4.86 116.66 114.49 1i5j n ARG 50 Ca -0.02 -3.62 0.00 0.00 -0.92 0.00 0.00 57.85 53.29 1i5j n ARG 50 Cb 0.41 -1.56 0.00 0.00 0.45 0.00 0.00 32.46 31.76 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 1.47 -0.08 -0.31 6.15 9.92 -0.63 -4.46 116.55 128.61 1i5j n ASP 51 Ca 0.24 0.24 0.20 0.00 -0.53 0.00 0.00 54.79 54.94 1i5j n ASP 51 Cb 0.49 0.20 0.48 0.00 -0.64 0.00 0.00 41.12 41.64 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 0.00 0.49 0.00 0.64 -0.00 -1.89 0.24 115.31 114.79 1i5j h LEU 52 Ca 0.00 0.07 -0.13 0.00 -0.00 0.00 0.00 57.88 57.83 1i5j h LEU 52 Cb 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.63 1i5j h LEU 52 CO 0.00 0.14 -0.78 0.22 -0.00 0.00 0.00 178.44 178.02 1i5j h TYR 53 N 0.46 0.00 0.00 0.17 3.20 -1.91 -3.35 116.97 115.54 1i5j h TYR 53 Ca 0.56 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.43 1i5j h TYR 53 Cb 1.31 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.58 1i5j h TYR 53 CO -0.00 1.02 0.00 0.45 -1.64 0.00 0.00 178.16 177.99 1i5j n SER 54 N -4.53 0.18 -0.00 -2.11 2.88 -0.97 -1.98 113.62 107.09 1i5j n SER 54 Ca -0.21 -1.29 0.02 0.00 -1.33 0.00 0.00 58.87 56.07 1i5j n SER 54 Cb 0.52 -0.09 -0.03 0.00 -0.75 0.00 0.00 64.21 63.86 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 -0.31 2.02 -0.01 -1.46 5.02 0.80 -1.86 118.16 122.35 1i5j n LYS 55 Ca 0.00 -0.03 0.05 0.00 -2.02 0.00 0.00 58.31 56.31 1i5j n LYS 55 Cb 0.04 -0.96 -0.09 0.00 -0.02 0.00 0.00 35.03 34.00 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 -1.46 2.25 -0.02 4.39 7.64 -0.98 -3.89 113.62 121.55 1i5j n SER 56 Ca -0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1i5j n SER 56 Cb 0.10 1.47 -0.05 0.00 -1.01 0.00 0.00 64.21 64.71 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 -1.97 0.27 -0.10 0.44 -2.24 -0.84 -4.43 114.28 105.41 1i5j n THR 57 Ca -0.04 -0.23 -0.22 0.00 -2.27 0.00 0.00 64.05 61.29 1i5j n THR 57 Cb 0.37 -0.37 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.05 1.61 0.45 6.98 0.00 -1.25 -3.30 120.51 122.95 1i5j n ALA 58 Ca -0.07 -0.83 0.06 0.00 0.00 0.00 0.00 53.44 52.60 1i5j n ALA 58 Cb 0.50 0.21 0.26 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 -3.98 1.58 -0.11 0.00 0.00 -0.78 -0.58 120.51 116.65 1i5j n ALA 59 Ca -0.40 -0.04 -0.22 0.00 0.00 0.00 0.00 53.44 52.78 1i5j n ALA 59 Cb 0.77 -1.19 -0.08 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.44 0.48 0.08 0.00 2.81 -1.25 -4.46 117.12 113.33 1i5j n MET 60 Ca 0.04 0.19 0.11 0.00 -1.81 0.00 0.00 57.70 56.23 1i5j n MET 60 Cb 0.13 -1.31 0.45 0.00 -0.71 0.00 0.00 33.22 31.78 1i5j n MET 60 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1i5j n SER 61 N -3.84 0.49 -0.17 7.83 7.64 -1.18 -3.15 113.62 121.24 1i5j n SER 61 Ca -0.42 0.59 -0.09 0.00 1.01 0.00 0.00 58.87 59.96 1i5j n SER 61 Cb 0.82 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1i5j n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i5j h THR 62 N 0.00 1.25 -0.04 0.44 1.03 -1.06 -3.02 112.91 111.50 1i5j h THR 62 Ca 0.00 -0.91 -0.19 0.00 -0.01 0.00 0.00 66.41 65.30 1i5j h THR 62 Cb 0.43 0.90 -0.01 0.00 -1.07 0.00 0.00 68.15 68.41 1i5j h THR 62 CO 0.00 0.32 -0.80 0.22 -0.01 0.00 0.00 175.52 175.25 1i5j h TYR 63 N 0.67 0.47 -0.14 0.00 3.20 -1.79 -2.91 116.97 116.48 1i5j h TYR 63 Ca 0.15 -0.23 0.04 0.00 3.14 0.00 0.00 58.73 61.83 1i5j h TYR 63 Cb 0.38 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1i5j h TYR 63 CO 0.03 1.00 0.26 1.79 -1.64 0.00 0.00 178.16 179.60 1i5j h THR 64 N 0.21 0.24 0.00 1.81 1.35 -1.57 0.76 112.91 115.72 1i5j h THR 64 Ca -0.04 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.71 1i5j h THR 64 Cb 1.39 0.77 -0.02 0.00 -1.73 0.00 0.00 68.15 68.57 1i5j h THR 64 CO 0.13 0.00 -1.21 1.23 -0.25 0.00 0.00 175.52 175.42 1i5j h GLY 65 N 0.00 0.00 1.34 5.82 0.00 -1.44 -3.31 103.07 105.49 1i5j h GLY 65 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1i5j h GLY 65 CO -0.00 0.00 -0.37 1.39 0.00 0.00 0.00 176.54 177.55 1i5j n ILE 66 N -2.85 0.12 0.43 2.60 2.08 0.24 -3.84 119.36 118.13 1i5j n ILE 66 Ca -0.06 -0.08 -0.17 0.00 0.56 0.00 0.00 62.75 63.01 1i5j n ILE 66 Cb 0.74 -0.07 -0.08 0.00 -0.75 0.00 0.00 39.64 39.48 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 0.00 -1.01 0.00 1.39 3.57 -0.84 -2.79 116.94 117.26 1i5j h PHE 67 Ca 0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1i5j h PHE 67 Cb 0.57 0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 1i5j h PHE 67 CO 0.00 -0.63 -0.03 1.15 -2.23 0.00 0.00 178.31 176.57 1i5j h THR 68 N -1.20 0.45 -0.06 4.41 2.02 -1.76 -1.54 112.91 115.22 1i5j h THR 68 Ca -0.11 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 66.96 1i5j h THR 68 Cb 0.84 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1i5j h THR 68 CO 0.18 0.03 0.06 -0.78 0.37 0.00 0.00 175.52 175.38 1i5j h ASP 69 N 0.00 0.00 -0.50 4.18 3.58 -1.60 0.20 116.42 122.28 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 0.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1i5j h ASP 69 CO 0.00 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.36 1i5j n GLN 70 N -4.10 2.35 -0.00 0.28 6.02 -0.58 -3.57 117.38 117.78 1i5j n GLN 70 Ca -0.01 -2.08 -0.00 0.00 -0.01 0.00 0.00 57.00 54.89 1i5j n GLN 70 Cb 0.16 -1.47 -0.00 0.00 1.02 0.00 0.00 30.24 29.94 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 1.22 0.07 0.24 5.09 0.31 0.67 -4.05 118.33 121.87 1i5j n VAL 71 Ca 0.20 0.48 0.08 0.00 -0.01 0.00 0.00 64.34 65.08 1i5j n VAL 71 Cb 0.52 -1.54 0.58 0.00 -0.91 0.00 0.00 33.84 32.49 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 -0.05 0.00 -0.08 7.52 -0.00 -1.74 0.68 115.31 121.65 1i5j h LEU 72 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1i5j h LEU 72 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 1i5j h LEU 72 CO 0.00 0.15 0.00 -0.24 -0.00 0.00 0.00 178.44 178.35 1i5j n SER 73 N -4.17 0.10 0.00 0.17 2.88 -1.23 -1.07 113.62 110.30 1i5j n SER 73 Ca -0.02 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1i5j n SER 73 Cb 0.22 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 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 -1.61 0.00 -0.10 2.46 0.31 0.09 -3.34 118.33 116.14 1i5j n VAL 74 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1i5j n VAL 74 Cb 0.22 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 1i5j n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i5j n LEU 75 N -1.45 0.18 -0.00 7.52 -0.00 0.22 -4.76 117.00 118.71 1i5j n LEU 75 Ca 0.00 -0.42 0.07 0.00 -0.00 0.00 0.00 56.01 55.66 1i5j n LEU 75 Cb 0.15 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.48 1i5j n LEU 75 CO 0.00 0.05 -0.18 0.29 -0.00 0.00 0.00 177.39 177.54 1i5j n LYS 76 N -0.47 1.82 0.00 1.47 4.01 -0.23 -4.97 118.16 119.79 1i5j n LYS 76 Ca 0.00 -0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.77 1i5j n LYS 76 Cb 0.02 -1.22 0.00 0.00 -0.51 0.00 0.00 35.03 33.32 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 2.97 0.72 0.00 -0.85 -4.79 105.19 105.64 1i5j n GLY 77 Ca 0.01 0.00 -0.13 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 -3.23 -0.51 1.61 2.13 -0.82 -4.95 120.64 114.86 1i5j n GLU 78 Ca 0.00 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.53 1i5j n GLU 78 Cb 0.00 -5.17 0.00 0.00 0.27 0.00 0.00 31.44 26.54 1i5j n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81