#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 -3.58 -0.11 4.78 7.35 -1.26 -4.94 117.46 119.69 1i5j n PHE 14 Ca 0.00 1.02 -0.14 0.00 -0.76 0.00 0.00 57.45 57.57 1i5j n PHE 14 Cb 0.00 2.33 -0.13 0.00 0.35 0.00 0.00 39.48 42.03 1i5j n PHE 14 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 1i5j n LEU 15 N -3.40 1.95 0.32 -2.13 -0.00 -1.26 -4.32 117.00 108.16 1i5j n LEU 15 Ca 0.00 -0.09 0.21 0.00 -0.00 0.00 0.00 56.01 56.13 1i5j n LEU 15 Cb 0.00 -0.40 1.04 0.00 -0.00 0.00 0.00 43.42 44.07 1i5j n LEU 15 CO 0.00 0.76 1.12 0.74 -0.00 0.00 0.00 177.39 180.01 1i5j h THR 16 N 0.00 0.00 0.00 1.47 2.02 -1.99 -1.81 112.91 112.60 1i5j h THR 16 Ca -0.53 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1i5j h THR 16 Cb 1.96 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 1i5j h THR 16 CO -0.05 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.84 1i5j n GLN 17 N -3.08 0.15 -0.07 6.66 10.64 -1.26 -1.42 117.38 128.99 1i5j n GLN 17 Ca -0.02 0.55 -0.09 0.00 -1.83 0.00 0.00 57.00 55.61 1i5j n GLN 17 Cb 0.15 -1.90 -0.08 0.00 -0.86 0.00 0.00 30.24 27.54 1i5j n GLN 17 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1i5j n VAL 18 N -2.21 0.90 0.23 -0.39 0.31 -0.69 -4.09 118.33 112.38 1i5j n VAL 18 Ca -0.00 -0.42 -0.09 0.00 -0.01 0.00 0.00 64.34 63.82 1i5j n VAL 18 Cb 0.11 -0.92 -0.04 0.00 -0.91 0.00 0.00 33.84 32.07 1i5j n VAL 18 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1i5j h LYS 19 N 0.00 -0.59 0.00 5.55 1.79 -1.42 0.31 116.57 122.21 1i5j h LYS 19 Ca -0.35 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 1i5j h LYS 19 Cb 1.64 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 32.42 1i5j h LYS 19 CO -0.03 -0.39 0.04 0.93 -1.08 0.00 0.00 179.45 178.92 1i5j h GLU 20 N -0.85 0.00 0.02 3.15 5.08 -1.53 0.16 114.58 120.62 1i5j h GLU 20 Ca -0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1i5j h GLU 20 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1i5j h GLU 20 CO 0.10 0.00 -0.01 1.03 -1.00 0.00 0.00 179.01 179.13 1i5j h SER 21 N 0.00 -0.03 -0.11 1.42 0.87 -1.66 -2.76 113.55 111.29 1i5j h SER 21 Ca 0.00 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.34 1i5j h SER 21 Cb 0.07 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1i5j h SER 21 CO 0.00 0.57 0.03 -0.07 -0.53 0.00 0.00 176.83 176.83 1i5j h LEU 22 N -1.00 0.23 -0.85 2.23 3.38 0.01 -1.27 115.31 118.04 1i5j h LEU 22 Ca -0.00 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1i5j h LEU 22 Cb 0.22 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1i5j h LEU 22 CO 0.01 0.25 -0.20 -1.28 0.09 0.00 0.00 178.44 177.31 1i5j h SER 23 N 0.25 0.64 -0.44 -0.43 0.87 -0.80 -2.62 113.55 111.02 1i5j h SER 23 Ca 0.06 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 1i5j h SER 23 Cb 0.13 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1i5j h SER 23 CO -0.00 0.84 0.21 0.28 -0.53 0.00 0.00 176.83 177.62 1i5j h SER 24 N 0.57 0.62 -0.81 6.23 0.02 -0.92 1.16 113.55 120.42 1i5j h SER 24 Ca 0.09 -0.06 0.16 0.00 -0.84 0.00 0.00 61.79 61.13 1i5j h SER 24 Cb 0.66 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.98 1i5j h SER 24 CO 0.05 0.55 0.54 0.22 -1.14 0.00 0.00 176.83 177.04 1i5j h TYR 25 N 0.68 0.56 0.00 3.45 3.20 -1.24 0.97 116.97 124.59 1i5j h TYR 25 Ca 0.17 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1i5j h TYR 25 Cb 0.12 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1i5j h TYR 25 CO 0.01 0.20 -1.99 1.87 -1.64 0.00 0.00 178.16 176.61 1i5j n TRP 26 N -4.50 0.00 -0.00 -3.82 -0.00 -0.55 -4.35 117.44 104.21 1i5j n TRP 26 Ca 0.16 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.58 1i5j n TRP 26 Cb 0.55 -0.53 0.09 0.00 -0.00 0.00 0.00 31.31 31.43 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 0.56 -0.46 5.87 4.22 0.28 -2.74 114.58 122.30 1i5j h GLU 27 Ca -0.06 -0.30 -0.08 0.00 0.08 0.00 0.00 59.36 59.00 1i5j h GLU 27 Cb 1.09 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1i5j h GLU 27 CO 0.00 0.89 -0.02 1.03 -2.18 0.00 0.00 179.01 178.73 1i5j h SER 28 N 0.45 0.75 -0.51 1.04 0.87 -1.08 0.75 113.55 115.83 1i5j h SER 28 Ca 0.03 -0.19 -0.05 0.00 -1.23 0.00 0.00 61.79 60.35 1i5j h SER 28 Cb 0.95 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.69 1i5j h SER 28 CO 0.08 0.83 0.14 0.00 -0.53 0.00 0.00 176.83 177.36 1i5j h ALA 29 N 1.25 1.19 0.00 6.23 0.00 -1.72 0.61 119.26 126.82 1i5j h ALA 29 Ca 0.14 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1i5j h ALA 29 Cb 0.47 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1i5j h ALA 29 CO 0.02 0.55 -0.51 0.87 0.00 0.00 0.00 179.25 180.19 1i5j h LYS 30 N 0.83 0.00 0.23 0.00 1.79 -1.09 -3.09 116.57 115.24 1i5j h LYS 30 Ca 0.18 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.64 1i5j h LYS 30 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1i5j h LYS 30 CO -0.00 0.51 -0.11 1.15 -1.08 0.00 0.00 179.45 179.92 1i5j h THR 31 N 0.00 0.80 -0.06 -0.16 2.02 0.16 0.12 112.91 115.80 1i5j h THR 31 Ca -0.01 -0.84 0.02 0.00 0.77 0.00 0.00 66.41 66.35 1i5j h THR 31 Cb 1.34 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 68.99 1i5j h THR 31 CO 0.07 0.17 0.11 0.00 0.37 0.00 0.00 175.52 176.23 1i5j h ALA 32 N -0.19 1.45 0.00 6.16 0.00 -1.02 0.36 119.26 126.02 1i5j h ALA 32 Ca -0.03 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1i5j h ALA 32 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1i5j h ALA 32 CO 0.05 -0.14 -0.98 0.00 0.00 0.00 0.00 179.25 178.18 1i5j h ALA 33 N 1.85 0.61 0.22 0.00 0.00 -1.42 -3.33 119.26 117.19 1i5j h ALA 33 Ca 0.03 -0.29 -0.35 0.00 0.00 0.00 0.00 54.91 54.30 1i5j h ALA 33 Cb 0.24 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.13 1i5j h ALA 33 CO -0.00 0.33 -1.64 1.96 0.00 0.00 0.00 179.25 179.90 1i5j h GLN 34 N 0.00 0.46 0.40 0.00 4.20 0.24 -3.14 115.11 117.27 1i5j h GLN 34 Ca -0.05 -0.78 -0.01 0.00 0.06 0.00 0.00 58.65 57.86 1i5j h GLN 34 Cb 1.21 0.29 -0.01 0.00 0.30 0.00 0.00 27.48 29.27 1i5j h GLN 34 CO 0.02 1.37 -0.27 -0.97 -0.67 0.00 0.00 178.83 178.31 1i5j h ASN 35 N 0.13 -0.70 0.77 1.46 -0.73 -1.06 1.27 115.58 116.72 1i5j h ASN 35 Ca -0.31 0.05 -0.03 0.00 1.87 0.00 0.00 56.30 57.88 1i5j h ASN 35 Cb 2.13 0.21 -0.00 0.00 0.27 0.00 0.00 38.32 40.93 1i5j h ASN 35 CO 0.22 -0.42 -0.16 0.25 -0.37 0.00 0.00 177.43 176.95 1i5j h LEU 36 N -0.66 0.00 -1.30 0.34 6.46 -1.74 0.92 115.31 119.33 1i5j h LEU 36 Ca -0.04 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1i5j h LEU 36 Cb 0.55 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1i5j h LEU 36 CO 0.02 0.16 -0.17 -1.22 -0.62 0.00 0.00 178.44 176.61 1i5j n TYR 37 N -3.39 0.00 0.00 1.25 4.01 -1.04 -3.74 117.16 114.25 1i5j n TYR 37 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1i5j n TYR 37 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 1i5j n TYR 37 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1i5j n GLU 38 N 0.46 0.00 0.03 -0.72 1.02 0.43 -4.65 120.64 117.21 1i5j n GLU 38 Ca 0.09 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.16 1i5j n GLU 38 Cb 0.40 -0.44 -0.05 0.00 -0.02 0.00 0.00 31.44 31.34 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 -0.18 0.00 3.49 1.79 0.79 -3.33 116.57 119.13 1i5j h LYS 39 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1i5j h LYS 39 Cb 0.00 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1i5j h LYS 39 CO 0.00 0.10 -0.11 1.15 -1.08 0.00 0.00 179.45 179.51 1i5j h THR 40 N -1.00 0.00 -1.00 -0.16 2.02 0.01 -2.82 112.91 109.97 1i5j h THR 40 Ca -0.02 -0.75 0.04 0.00 0.77 0.00 0.00 66.41 66.45 1i5j h THR 40 Cb 0.36 1.69 -0.06 0.00 -1.74 0.00 0.00 68.15 68.40 1i5j h THR 40 CO 0.03 0.00 0.66 0.22 0.37 0.00 0.00 175.52 176.80 1i5j h TYR 41 N 0.00 1.23 0.00 3.16 3.20 -1.68 -3.41 116.97 119.46 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 0.87 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1i5j h TYR 41 CO 0.00 0.70 0.00 1.28 -1.64 0.00 0.00 178.16 178.50 1i5j n LEU 42 N -4.44 -0.72 -2.16 2.82 4.77 -1.25 -4.92 117.00 111.10 1i5j n LEU 42 Ca 0.14 0.53 -0.06 0.00 -0.03 0.00 0.00 56.01 56.58 1i5j n LEU 42 Cb 0.10 0.87 -0.09 0.00 -2.33 0.00 0.00 43.42 41.97 1i5j n LEU 42 CO 0.34 -0.63 1.08 -0.81 -1.33 0.00 0.00 177.39 176.04 1i5j n PRO 43 N -3.42 1.08 -0.34 3.23 -0.04 -1.08 -2.50 135.00 131.93 1i5j n PRO 43 Ca 0.00 -0.51 -0.01 0.00 -0.04 0.00 0.00 63.50 62.95 1i5j n PRO 43 Cb 0.00 -1.72 -0.01 0.00 -0.04 0.00 0.00 33.50 31.73 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 2.61 -0.29 0.08 0.55 0.00 -1.12 -4.72 120.51 117.63 1i5j n ALA 44 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1i5j n ALA 44 Cb 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 0.00 -0.30 0.00 0.31 -1.04 -4.80 118.33 112.49 1i5j n VAL 45 Ca -0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.26 1i5j n VAL 45 Cb 0.20 -0.43 0.07 0.00 -0.91 0.00 0.00 33.84 32.77 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 1.04 0.45 4.52 5.19 -1.94 -2.31 116.42 123.37 1i5j h ASP 46 Ca 0.00 -0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.29 1i5j h ASP 46 Cb 0.00 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.24 1i5j h ASP 46 CO 0.00 0.85 -0.28 -0.33 -3.12 0.00 0.00 179.24 176.36 1i5j h GLU 47 N 1.15 -0.67 -0.61 3.56 4.39 -1.90 1.19 114.58 121.69 1i5j h GLU 47 Ca 0.29 0.05 0.17 0.00 0.34 0.00 0.00 59.36 60.21 1i5j h GLU 47 Cb 0.05 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1i5j h GLU 47 CO -0.04 -0.45 0.44 -0.22 -1.16 0.00 0.00 179.01 177.57 1i5j h LYS 48 N -0.70 0.02 0.00 2.33 3.64 -1.84 1.16 116.57 121.18 1i5j h LYS 48 Ca -0.05 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1i5j h LYS 48 Cb 0.57 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1i5j h LYS 48 CO 0.05 0.01 -0.88 -0.07 -2.27 0.00 0.00 179.45 176.29 1i5j h LEU 49 N 0.02 0.00 -3.29 5.20 3.38 -0.75 -3.31 115.31 116.56 1i5j h LEU 49 Ca 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 1i5j h LEU 49 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1i5j h LEU 49 CO -0.01 0.10 0.00 -1.14 0.09 0.00 0.00 178.44 177.49 1i5j n ARG 50 N -2.80 2.92 0.16 1.13 3.00 0.40 -4.65 116.66 116.82 1i5j n ARG 50 Ca -0.01 -2.88 -0.09 0.00 -0.00 0.00 0.00 57.85 54.87 1i5j n ARG 50 Cb 0.60 -1.87 -0.05 0.00 0.00 0.00 0.00 32.46 31.14 1i5j n ARG 50 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.63 178.01 1i5j h ASP 51 N 1.83 -0.41 -1.09 6.15 2.03 0.97 -1.49 116.42 124.41 1i5j h ASP 51 Ca 0.02 -0.05 0.31 0.00 -0.73 0.00 0.00 57.03 56.58 1i5j h ASP 51 Cb 1.50 0.11 -0.11 0.00 -0.83 0.00 0.00 39.33 39.99 1i5j h ASP 51 CO 0.26 0.04 0.69 0.17 -1.03 0.00 0.00 179.24 179.37 1i5j h LEU 52 N -1.09 0.43 0.24 0.15 -0.00 -1.83 0.87 115.31 114.08 1i5j h LEU 52 Ca -0.05 0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 1i5j h LEU 52 Cb 0.43 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1i5j h LEU 52 CO 0.08 -0.00 -0.12 0.22 -0.00 0.00 0.00 178.44 178.62 1i5j h TYR 53 N 0.33 -0.30 -0.09 0.17 5.03 -1.86 -1.96 116.97 118.29 1i5j h TYR 53 Ca 0.67 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.97 1i5j h TYR 53 Cb 1.75 0.10 0.00 0.00 1.55 0.00 0.00 36.73 40.13 1i5j h TYR 53 CO -0.00 0.07 0.00 -1.13 -1.32 0.00 0.00 178.16 175.78 1i5j n SER 54 N -5.02 1.31 0.00 -2.11 3.41 -0.07 -3.11 113.62 108.03 1i5j n SER 54 Ca -0.08 -2.09 0.00 0.00 -0.26 0.00 0.00 58.87 56.44 1i5j n SER 54 Cb 0.26 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1i5j n SER 54 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1i5j n LYS 55 N -0.00 0.99 -0.41 4.33 4.76 0.28 -3.24 118.16 124.88 1i5j n LYS 55 Ca 0.04 0.00 0.34 0.00 -2.87 0.00 0.00 58.31 55.81 1i5j n LYS 55 Cb 0.29 -0.92 0.61 0.00 -1.84 0.00 0.00 35.03 33.17 1i5j n LYS 55 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1i5j h SER 56 N 0.00 0.30 0.00 4.39 0.02 -1.29 -3.31 113.55 113.66 1i5j h SER 56 Ca 0.00 0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1i5j h SER 56 Cb 0.00 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1i5j h SER 56 CO 0.00 -0.19 -0.05 1.07 -1.14 0.00 0.00 176.83 176.52 1i5j n THR 57 N -4.80 0.00 -2.34 -2.27 5.66 -1.26 -4.96 114.28 104.31 1i5j n THR 57 Ca 0.36 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.36 1i5j n THR 57 Cb 1.32 0.08 0.00 0.00 -1.55 0.00 0.00 70.33 70.18 1i5j n THR 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1i5j n ALA 58 N 0.00 0.00 -0.35 1.79 0.00 -1.23 -4.96 120.51 115.76 1i5j n ALA 58 Ca -0.05 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.44 1i5j n ALA 58 Cb 0.28 -0.47 0.22 0.00 0.00 0.00 0.00 19.45 19.48 1i5j n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i5j h ALA 59 N 0.00 1.48 0.00 0.00 0.00 -1.69 -3.31 119.26 115.74 1i5j h ALA 59 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1i5j h ALA 59 Cb 0.94 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1i5j h ALA 59 CO 0.00 0.34 0.00 -1.33 0.00 0.00 0.00 179.25 178.26 1i5j n MET 60 N -4.54 -0.04 0.09 0.00 2.81 -1.26 -4.76 117.12 109.43 1i5j n MET 60 Ca 0.16 -0.02 -0.08 0.00 -1.81 0.00 0.00 57.70 55.96 1i5j n MET 60 Cb 0.26 -0.51 -0.02 0.00 -0.71 0.00 0.00 33.22 32.23 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 0.16 1.14 7.83 0.02 -1.65 -3.14 113.55 117.90 1i5j h SER 61 Ca 0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1i5j h SER 61 Cb 0.47 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1i5j h SER 61 CO 0.00 0.97 -0.49 0.74 -1.14 0.00 0.00 176.83 176.91 1i5j h THR 62 N 0.06 0.00 -0.03 -2.27 2.02 -1.86 -3.29 112.91 107.54 1i5j h THR 62 Ca -0.04 -0.63 -0.10 0.00 0.77 0.00 0.00 66.41 66.41 1i5j h THR 62 Cb 1.55 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 1i5j h THR 62 CO 0.13 0.00 -0.46 0.22 0.37 0.00 0.00 175.52 175.78 1i5j h TYR 63 N 0.00 0.09 -0.29 3.16 5.03 -1.80 -2.46 116.97 120.70 1i5j h TYR 63 Ca 0.00 -0.03 0.08 0.00 2.58 0.00 0.00 58.73 61.37 1i5j h TYR 63 Cb 0.81 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 39.06 1i5j h TYR 63 CO 0.00 0.53 0.38 1.79 -1.32 0.00 0.00 178.16 179.54 1i5j h THR 64 N 0.06 0.32 0.00 1.81 1.35 -1.63 1.09 112.91 115.91 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 0.84 0.68 -0.02 0.00 -1.73 0.00 0.00 68.15 67.92 1i5j h THR 64 CO 0.06 0.00 -0.76 1.23 -0.25 0.00 0.00 175.52 175.81 1i5j h GLY 65 N 0.00 0.00 0.48 5.82 0.00 -1.67 -3.27 103.07 104.43 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 -1.18 1.39 0.00 0.00 0.00 176.54 176.75 1i5j n ILE 66 N -3.17 0.16 -0.02 2.60 -0.00 0.31 -3.34 119.36 115.90 1i5j n ILE 66 Ca -0.01 -0.29 -0.13 0.00 -0.00 0.00 0.00 62.75 62.33 1i5j n ILE 66 Cb 0.78 0.20 -0.09 0.00 -0.00 0.00 0.00 39.64 40.54 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 0.12 0.00 1.39 3.04 0.44 -3.20 116.94 118.72 1i5j h PHE 67 Ca 0.00 -0.03 -0.12 0.00 3.98 0.00 0.00 57.97 61.81 1i5j h PHE 67 Cb 0.77 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.24 1i5j h PHE 67 CO 0.00 0.49 -0.57 1.15 -2.02 0.00 0.00 178.31 177.36 1i5j h THR 68 N -0.29 0.93 -0.10 4.41 2.02 -1.74 -3.26 112.91 114.87 1i5j h THR 68 Ca 0.01 -2.32 0.03 0.00 0.77 0.00 0.00 66.41 64.90 1i5j h THR 68 Cb 0.46 2.45 -0.00 0.00 -1.74 0.00 0.00 68.15 69.31 1i5j h THR 68 CO 0.01 0.53 0.23 0.44 0.37 0.00 0.00 175.52 177.09 1i5j h ASP 69 N 0.00 0.00 -0.49 4.18 3.32 -1.55 0.42 116.42 122.30 1i5j h ASP 69 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1i5j h ASP 69 Cb 1.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1i5j h ASP 69 CO 0.07 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.59 1i5j n GLN 70 N -3.31 2.55 -0.09 3.56 10.64 -1.23 -3.36 117.38 126.14 1i5j n GLN 70 Ca -0.00 -2.38 -0.16 0.00 -1.83 0.00 0.00 57.00 52.63 1i5j n GLN 70 Cb 0.32 -1.51 -0.08 0.00 -0.86 0.00 0.00 30.24 28.11 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 1.47 1.04 0.08 -0.39 0.31 0.14 -4.26 118.33 116.71 1i5j n VAL 71 Ca 0.20 -0.33 0.01 0.00 -0.01 0.00 0.00 64.34 64.21 1i5j n VAL 71 Cb 0.59 -1.43 -0.04 0.00 -0.91 0.00 0.00 33.84 32.06 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 -0.32 0.00 -1.00 7.52 -0.00 -1.62 0.38 115.31 120.27 1i5j h LEU 72 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 1i5j h LEU 72 Cb 1.53 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.19 1i5j h LEU 72 CO -0.17 0.56 0.00 -1.28 -0.00 0.00 0.00 178.44 177.55 1i5j h SER 73 N 0.00 0.00 0.00 0.17 0.87 -1.76 0.66 113.55 113.49 1i5j h SER 73 Ca -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1i5j h SER 73 Cb 1.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 1i5j h SER 73 CO 0.06 0.00 -0.71 0.52 -0.53 0.00 0.00 176.83 176.16 1i5j n VAL 74 N -2.65 0.00 0.05 2.23 0.31 -1.22 -2.26 118.33 114.79 1i5j n VAL 74 Ca 0.02 -0.05 0.01 0.00 -0.01 0.00 0.00 64.34 64.31 1i5j n VAL 74 Cb 0.28 0.47 -0.02 0.00 -0.91 0.00 0.00 33.84 33.66 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 -1.16 0.05 -0.01 7.52 4.77 0.13 -4.68 117.00 123.62 1i5j n LEU 75 Ca 0.00 -0.19 0.08 0.00 -0.03 0.00 0.00 56.01 55.87 1i5j n LEU 75 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1i5j n LEU 75 CO 0.00 0.01 -0.48 0.29 -1.33 0.00 0.00 177.39 175.88 1i5j n LYS 76 N -1.40 0.83 0.00 3.23 5.02 0.12 -4.94 118.16 121.02 1i5j n LYS 76 Ca -0.00 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1i5j n LYS 76 Cb 0.07 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 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 1.47 0.99 2.72 0.72 0.00 -0.79 -4.81 105.19 105.49 1i5j n GLY 77 Ca -0.01 0.00 -0.11 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 -2.18 -0.61 1.61 4.07 -0.91 -4.96 120.64 117.66 1i5j n GLU 78 Ca 0.00 0.61 0.00 0.00 -0.06 0.00 0.00 57.16 57.71 1i5j n GLU 78 Cb 0.00 -4.60 0.00 0.00 -0.06 0.00 0.00 31.44 26.78 1i5j n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16