#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 1.07 -0.09 4.78 7.35 -1.26 -4.28 117.46 125.04 1i5j n PHE 14 Ca 0.00 0.25 -0.15 0.00 -0.76 0.00 0.00 57.45 56.79 1i5j n PHE 14 Cb 0.00 -1.15 -0.08 0.00 0.35 0.00 0.00 39.48 38.60 1i5j n PHE 14 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1i5j n LEU 15 N -3.36 2.42 -0.26 -2.13 4.77 -1.26 -4.52 117.00 112.66 1i5j n LEU 15 Ca -0.30 0.02 0.21 0.00 -0.03 0.00 0.00 56.01 55.90 1i5j n LEU 15 Cb 1.05 -0.60 0.53 0.00 -2.33 0.00 0.00 43.42 42.06 1i5j n LEU 15 CO 0.42 0.66 1.23 0.74 -1.33 0.00 0.00 177.39 179.11 1i5j h THR 16 N -0.24 0.63 0.00 -5.08 2.02 -1.99 0.97 112.91 109.23 1i5j h THR 16 Ca -0.43 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1i5j h THR 16 Cb 1.55 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1i5j h THR 16 CO -0.14 0.07 0.00 0.00 0.37 0.00 0.00 175.52 175.82 1i5j n GLN 17 N -4.52 0.21 -0.05 6.66 6.02 -1.26 -2.50 117.38 121.94 1i5j n GLN 17 Ca 0.21 0.09 -0.06 0.00 -0.01 0.00 0.00 57.00 57.23 1i5j n GLN 17 Cb 0.76 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.47 1i5j n GLN 17 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1i5j n VAL 18 N -1.36 0.57 0.21 5.09 0.31 0.29 -4.23 118.33 119.22 1i5j n VAL 18 Ca 0.09 -0.26 -0.09 0.00 -0.01 0.00 0.00 64.34 64.07 1i5j n VAL 18 Cb 0.21 -0.84 -0.04 0.00 -0.91 0.00 0.00 33.84 32.26 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 -0.55 -0.02 5.55 6.56 -0.25 0.82 116.57 128.68 1i5j h LYS 19 Ca -0.22 0.04 0.01 0.00 -1.06 0.00 0.00 60.65 59.41 1i5j h LYS 19 Cb 1.40 0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 33.19 1i5j h LYS 19 CO -0.02 -0.37 0.09 0.93 -2.06 0.00 0.00 179.45 178.03 1i5j h GLU 20 N -0.83 0.00 0.14 3.15 4.39 -1.72 0.24 114.58 119.95 1i5j h GLU 20 Ca -0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1i5j h GLU 20 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1i5j h GLU 20 CO 0.10 0.00 -0.07 1.03 -1.16 0.00 0.00 179.01 178.91 1i5j h SER 21 N 0.00 -0.16 -0.30 1.42 0.87 -1.70 -0.24 113.55 113.44 1i5j h SER 21 Ca 0.01 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.31 1i5j h SER 21 Cb 0.19 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1i5j h SER 21 CO -0.00 0.40 0.10 0.25 -0.53 0.00 0.00 176.83 177.05 1i5j h LEU 22 N -0.99 0.49 -0.19 2.23 7.12 -0.24 -0.14 115.31 123.57 1i5j h LEU 22 Ca -0.02 -0.06 -0.11 0.00 0.13 0.00 0.00 57.88 57.82 1i5j h LEU 22 Cb 0.38 -0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 40.39 1i5j h LEU 22 CO 0.03 0.48 -0.31 0.28 -0.13 0.00 0.00 178.44 178.80 1i5j h SER 23 N 0.53 0.60 0.04 1.25 0.02 -0.63 -3.04 113.55 112.31 1i5j h SER 23 Ca 0.12 -0.53 -0.06 0.00 -0.84 0.00 0.00 61.79 60.49 1i5j h SER 23 Cb 0.19 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1i5j h SER 23 CO -0.01 1.01 -0.17 0.28 -1.14 0.00 0.00 176.83 176.81 1i5j h SER 24 N 0.21 0.25 -0.66 3.07 0.02 -0.64 0.81 113.55 116.60 1i5j h SER 24 Ca 0.02 -0.06 0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1i5j h SER 24 Cb 0.89 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.33 1i5j h SER 24 CO 0.07 0.44 0.44 0.22 -1.14 0.00 0.00 176.83 176.86 1i5j h TYR 25 N 0.24 0.68 0.00 3.45 5.03 -0.92 -1.04 116.97 124.40 1i5j h TYR 25 Ca 0.05 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1i5j h TYR 25 Cb 0.45 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.50 1i5j h TYR 25 CO 0.01 0.36 -1.63 0.91 -1.32 0.00 0.00 178.16 176.48 1i5j n TRP 26 N -4.48 0.24 -0.11 -3.82 7.02 -0.71 -4.27 117.44 111.32 1i5j n TRP 26 Ca 0.10 0.07 -0.08 0.00 -1.02 0.00 0.00 57.50 56.56 1i5j n TRP 26 Cb 0.23 -0.57 0.07 0.00 -2.42 0.00 0.00 31.31 28.62 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 -0.63 -0.99 4.22 0.18 -2.65 114.58 115.55 1i5j h GLU 27 Ca 0.00 -0.33 -0.05 0.00 0.08 0.00 0.00 59.36 59.05 1i5j h GLU 27 Cb 0.95 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1i5j h GLU 27 CO 0.00 0.97 0.18 1.03 -2.18 0.00 0.00 179.01 179.00 1i5j h SER 28 N 0.74 0.91 -0.56 1.04 0.87 -1.44 0.54 113.55 115.65 1i5j h SER 28 Ca 0.10 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1i5j h SER 28 Cb 0.73 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 1i5j h SER 28 CO 0.06 0.86 0.28 0.00 -0.53 0.00 0.00 176.83 177.50 1i5j h ALA 29 N 1.26 1.39 0.00 6.23 0.00 -1.70 0.84 119.26 127.28 1i5j h ALA 29 Ca 0.20 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1i5j h ALA 29 Cb 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1i5j h ALA 29 CO -0.00 0.48 -0.41 0.87 0.00 0.00 0.00 179.25 180.19 1i5j h LYS 30 N 0.83 0.00 -0.12 0.00 1.57 -0.97 -3.28 116.57 114.60 1i5j h LYS 30 Ca 0.21 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.85 1i5j h LYS 30 Cb 0.08 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.40 1i5j h LYS 30 CO -0.03 0.41 -0.46 1.15 -0.57 0.00 0.00 179.45 179.95 1i5j h THR 31 N 0.00 1.37 -0.08 -0.16 2.02 0.15 -2.72 112.91 113.48 1i5j h THR 31 Ca -0.00 -1.77 0.02 0.00 0.77 0.00 0.00 66.41 65.43 1i5j h THR 31 Cb 1.31 2.15 -0.00 0.00 -1.74 0.00 0.00 68.15 69.87 1i5j h THR 31 CO 0.05 0.53 0.19 0.00 0.37 0.00 0.00 175.52 176.67 1i5j h ALA 32 N 0.49 1.44 0.01 6.16 0.00 -0.96 0.31 119.26 126.72 1i5j h ALA 32 Ca -0.02 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.62 1i5j h ALA 32 Cb 1.09 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1i5j h ALA 32 CO 0.10 -0.23 -1.38 0.00 0.00 0.00 0.00 179.25 177.73 1i5j h ALA 33 N 1.69 0.53 -0.08 0.00 0.00 -1.60 -3.32 119.26 116.48 1i5j h ALA 33 Ca 0.04 -1.19 -0.16 0.00 0.00 0.00 0.00 54.91 53.60 1i5j h ALA 33 Cb 0.42 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1i5j h ALA 33 CO -0.00 1.39 -0.64 1.96 0.00 0.00 0.00 179.25 181.96 1i5j h GLN 34 N 0.01 0.32 -0.68 0.00 7.50 -0.13 -3.21 115.11 118.91 1i5j h GLN 34 Ca -0.16 -0.23 0.13 0.00 0.50 0.00 0.00 58.65 58.88 1i5j h GLN 34 Cb 1.91 0.04 -0.09 0.00 0.05 0.00 0.00 27.48 29.39 1i5j h GLN 34 CO 0.11 0.85 0.20 -0.97 -1.50 0.00 0.00 178.83 177.53 1i5j h ASN 35 N 0.23 0.11 0.00 1.46 -0.73 -1.30 1.19 115.58 116.55 1i5j h ASN 35 Ca -0.01 0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.27 1i5j h ASN 35 Cb 1.18 0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.90 1i5j h ASN 35 CO 0.11 0.04 0.21 0.25 -0.37 0.00 0.00 177.43 177.67 1i5j h LEU 36 N 0.33 0.00 0.00 0.34 5.85 -1.71 -2.82 115.31 117.30 1i5j h LEU 36 Ca 0.36 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.08 1i5j h LEU 36 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1i5j h LEU 36 CO -0.41 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.47 1i5j n TYR 37 N -2.43 0.00 -0.31 1.25 4.02 0.14 -4.14 117.16 115.68 1i5j n TYR 37 Ca -0.02 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.98 1i5j n TYR 37 Cb 0.24 0.07 0.27 0.00 -0.02 0.00 0.00 39.34 39.90 1i5j n TYR 37 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1i5j h GLU 38 N 0.00 0.57 0.00 -0.72 4.57 0.10 0.42 114.58 119.53 1i5j h GLU 38 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1i5j h GLU 38 Cb 0.00 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1i5j h GLU 38 CO 0.00 0.38 0.00 -0.22 -1.18 0.00 0.00 179.01 177.99 1i5j h LYS 39 N 0.59 0.00 0.00 1.92 1.63 -1.39 -3.46 116.57 115.86 1i5j h LYS 39 Ca 0.52 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.32 1i5j h LYS 39 Cb 0.83 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.46 1i5j h LYS 39 CO -0.41 0.00 0.00 -2.37 -3.45 0.00 0.00 179.45 173.22 1i5j n THR 40 N -2.35 0.00 -0.02 1.00 5.66 0.15 -4.84 114.28 113.88 1i5j n THR 40 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1i5j n THR 40 Cb 0.16 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.94 1i5j n THR 40 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1i5j n TYR 41 N 0.00 0.02 -0.48 1.09 4.19 -1.26 -3.37 117.16 117.35 1i5j n TYR 41 Ca 0.00 0.06 -0.29 0.00 3.31 0.00 0.00 57.90 60.98 1i5j n TYR 41 Cb 0.00 -0.53 0.25 0.00 0.49 0.00 0.00 39.34 39.55 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 -4.07 -1.89 0.00 2.98 4.77 -1.26 -4.77 117.00 112.75 1i5j n LEU 42 Ca 0.01 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1i5j n LEU 42 Cb 0.03 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 39.96 1i5j n LEU 42 CO -0.01 -3.45 0.38 -2.65 -1.33 0.00 0.00 177.39 170.34 1i5j n PRO 43 N -4.51 0.00 -0.05 3.23 -0.02 -1.26 -2.06 135.00 130.34 1i5j n PRO 43 Ca 0.03 0.23 0.01 0.00 -2.02 0.00 0.00 63.50 61.74 1i5j n PRO 43 Cb 0.56 -1.58 0.03 0.00 -0.02 0.00 0.00 33.50 32.48 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 -1.18 2.55 -0.32 3.55 0.00 -1.26 -4.11 120.51 119.75 1i5j n ALA 44 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 53.44 53.35 1i5j n ALA 44 Cb 0.08 -1.00 0.15 0.00 0.00 0.00 0.00 19.45 18.68 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 0.28 1.02 -0.01 0.00 2.07 -1.42 0.06 116.25 118.24 1i5j h VAL 45 Ca 0.00 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 1i5j h VAL 45 Cb 0.36 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1i5j h VAL 45 CO 0.02 0.18 -0.24 0.44 0.02 0.00 0.00 177.57 177.98 1i5j h ASP 46 N 0.96 0.02 0.02 0.57 5.19 -1.89 -2.82 116.42 118.48 1i5j h ASP 46 Ca 0.39 -0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.76 1i5j h ASP 46 Cb 0.22 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1i5j h ASP 46 CO -0.19 0.27 -0.16 -0.33 -3.12 0.00 0.00 179.24 175.70 1i5j h GLU 47 N 0.02 0.07 -1.02 3.56 4.39 -1.40 0.27 114.58 120.46 1i5j h GLU 47 Ca 0.00 -0.11 0.25 0.00 0.34 0.00 0.00 59.36 59.85 1i5j h GLU 47 Cb 0.44 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.04 1i5j h GLU 47 CO 0.03 1.01 0.65 -0.22 -1.16 0.00 0.00 179.01 179.33 1i5j h LYS 48 N -0.82 0.43 0.00 2.33 3.11 -0.97 0.38 116.57 121.03 1i5j h LYS 48 Ca -0.03 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1i5j h LYS 48 Cb 1.09 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.22 1i5j h LYS 48 CO 0.03 0.28 -1.17 1.47 -2.81 0.00 0.00 179.45 177.26 1i5j n LEU 49 N -4.65 0.63 -3.46 5.20 -0.00 -1.07 -4.66 117.00 108.99 1i5j n LEU 49 Ca 0.25 0.19 -0.28 0.00 -0.00 0.00 0.00 56.01 56.17 1i5j n LEU 49 Cb 0.83 -0.07 -0.11 0.00 -0.00 0.00 0.00 43.42 44.07 1i5j n LEU 49 CO 0.25 -0.10 -0.30 -0.60 -0.00 0.00 0.00 177.39 176.64 1i5j s ARG 50 N -3.35 0.94 0.00 1.47 3.00 0.13 -4.86 118.95 116.28 1i5j s ARG 50 Ca -0.01 -1.98 0.00 0.00 -1.00 0.00 0.00 55.73 52.75 1i5j s ARG 50 Cb 0.12 -1.58 0.00 0.00 0.00 0.00 0.00 34.95 33.49 1i5j s ARG 50 CO 0.81 -1.32 0.00 -0.25 0.00 0.00 0.00 175.30 174.54 1i5j n ASP 51 N 3.15 0.00 -0.41 -2.12 8.00 -0.82 -4.32 116.55 120.02 1i5j n ASP 51 Ca 0.23 0.00 0.38 0.00 0.71 0.00 0.00 54.79 56.12 1i5j n ASP 51 Cb 0.43 0.03 0.75 0.00 -0.02 0.00 0.00 41.12 42.31 1i5j n ASP 51 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 1i5j h LEU 52 N 0.00 0.04 0.51 0.64 -0.00 -1.83 0.22 115.31 114.89 1i5j h LEU 52 Ca 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.87 1i5j h LEU 52 Cb 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 1i5j h LEU 52 CO 0.00 -0.00 -0.24 0.22 -0.00 0.00 0.00 178.44 178.41 1i5j h TYR 53 N 0.03 -0.63 -0.20 0.17 5.03 -1.93 -1.58 116.97 117.86 1i5j h TYR 53 Ca 0.66 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.96 1i5j h TYR 53 Cb 2.56 0.21 0.00 0.00 1.55 0.00 0.00 36.73 41.05 1i5j h TYR 53 CO -0.00 -0.31 0.00 0.43 -1.32 0.00 0.00 178.16 176.96 1i5j n SER 54 N -5.29 1.83 -0.03 -2.11 7.64 0.35 -3.04 113.62 112.96 1i5j n SER 54 Ca -0.11 -2.14 -0.02 0.00 1.01 0.00 0.00 58.87 57.61 1i5j n SER 54 Cb 0.32 -0.35 -0.05 0.00 -1.01 0.00 0.00 64.21 63.11 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 0.18 2.44 -0.20 1.43 4.81 0.51 -3.14 118.16 124.19 1i5j n LYS 55 Ca 0.08 -0.01 0.08 0.00 -0.87 0.00 0.00 58.31 57.58 1i5j n LYS 55 Cb 0.36 -1.17 0.19 0.00 0.02 0.00 0.00 35.03 34.43 1i5j n LYS 55 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1i5j n SER 56 N -2.17 3.11 0.00 3.14 3.41 -0.61 -3.20 113.62 117.31 1i5j n SER 56 Ca -0.09 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 1i5j n SER 56 Cb 0.63 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1i5j n SER 56 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1i5j n THR 57 N 0.91 0.00 0.00 6.66 5.66 -1.17 -4.74 114.28 121.60 1i5j n THR 57 Ca 0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 1i5j n THR 57 Cb 0.48 0.09 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 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 -1.34 2.60 0.31 1.79 0.00 -1.26 -4.22 120.51 118.38 1i5j n ALA 58 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 1i5j n ALA 58 Cb 0.10 0.12 0.91 0.00 0.00 0.00 0.00 19.45 20.59 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 1.16 0.00 0.00 0.00 -1.62 0.84 119.26 119.64 1i5j h ALA 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i5j h ALA 59 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1i5j h ALA 59 CO 0.00 -0.16 -0.96 0.00 0.00 0.00 0.00 179.25 178.13 1i5j n MET 60 N -2.82 2.16 0.12 0.00 0.00 -1.19 -4.59 117.12 110.79 1i5j n MET 60 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.69 1i5j n MET 60 Cb 0.22 -0.98 -0.00 0.00 0.00 0.00 0.00 33.22 32.46 1i5j n MET 60 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1i5j h SER 61 N 0.00 0.00 -0.35 3.17 0.87 -1.69 -3.20 113.55 112.35 1i5j h SER 61 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1i5j h SER 61 Cb 0.96 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1i5j h SER 61 CO 0.00 0.55 0.00 0.41 -0.53 0.00 0.00 176.83 177.26 1i5j n THR 62 N -3.19 0.46 0.12 2.23 -1.04 0.29 -3.97 114.28 109.18 1i5j n THR 62 Ca 0.00 -0.51 -0.03 0.00 -2.04 0.00 0.00 64.05 61.48 1i5j n THR 62 Cb 0.77 0.33 0.12 0.00 -1.82 0.00 0.00 70.33 69.73 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 2.44 0.04 -0.15 -1.42 3.20 -1.66 -2.88 116.97 116.54 1i5j h TYR 63 Ca 0.00 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.90 1i5j h TYR 63 Cb 0.55 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1i5j h TYR 63 CO 0.23 0.70 0.33 0.00 -1.64 0.00 0.00 178.16 177.78 1i5j h THR 64 N 0.02 0.18 0.00 1.81 1.03 -1.81 1.20 112.91 115.35 1i5j h THR 64 Ca -0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 66.35 1i5j h THR 64 Cb 1.20 0.70 -0.01 0.00 -1.07 0.00 0.00 68.15 68.97 1i5j h THR 64 CO 0.09 0.00 -0.38 1.23 -0.01 0.00 0.00 175.52 176.45 1i5j h GLY 65 N 0.00 0.00 0.00 2.99 0.00 -1.81 -3.22 103.07 101.04 1i5j h GLY 65 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.27 1i5j h GLY 65 CO -0.00 0.00 -2.06 1.39 0.00 0.00 0.00 176.54 175.87 1i5j n ILE 66 N -3.05 0.50 -0.01 2.60 -0.00 0.34 -3.58 119.36 116.15 1i5j n ILE 66 Ca 0.02 -0.59 -0.12 0.00 -0.00 0.00 0.00 62.75 62.06 1i5j n ILE 66 Cb 0.61 -0.17 -0.07 0.00 -0.00 0.00 0.00 39.64 40.01 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 0.11 0.00 1.39 3.57 0.62 -2.83 116.94 119.80 1i5j h PHE 67 Ca -0.20 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.21 1i5j h PHE 67 Cb 1.40 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 1i5j h PHE 67 CO 0.00 0.24 -0.40 1.15 -2.23 0.00 0.00 178.31 177.08 1i5j h THR 68 N -0.06 0.75 0.00 4.41 2.02 -1.77 -3.16 112.91 115.11 1i5j h THR 68 Ca 0.02 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.38 1i5j h THR 68 Cb 0.18 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1i5j h THR 68 CO -0.00 0.39 0.00 -0.67 0.37 0.00 0.00 175.52 175.61 1i5j n ASP 69 N -3.29 0.45 -0.61 4.18 2.03 -1.07 -0.78 116.55 117.46 1i5j n ASP 69 Ca 0.01 0.71 0.05 0.00 0.52 0.00 0.00 54.79 56.08 1i5j n ASP 69 Cb 0.63 -0.77 0.14 0.00 -0.72 0.00 0.00 41.12 40.41 1i5j n ASP 69 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1i5j n GLN 70 N -2.10 2.82 -0.04 -0.67 7.27 -1.19 -4.06 117.38 119.40 1i5j n GLN 70 Ca -0.01 -2.01 -0.04 0.00 0.07 0.00 0.00 57.00 55.01 1i5j n GLN 70 Cb 0.04 -1.26 -0.01 0.00 2.41 0.00 0.00 30.24 31.42 1i5j n GLN 70 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1i5j n VAL 71 N 0.48 0.70 0.15 1.69 0.31 0.04 -4.12 118.33 117.57 1i5j n VAL 71 Ca 0.11 0.33 0.01 0.00 -0.01 0.00 0.00 64.34 64.78 1i5j n VAL 71 Cb 0.42 -1.89 0.18 0.00 -0.91 0.00 0.00 33.84 31.64 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 -0.46 0.00 -1.85 7.52 -0.00 -1.84 0.45 115.31 119.13 1i5j h LEU 72 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1i5j h LEU 72 Cb 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.12 1i5j h LEU 72 CO 0.00 0.57 -0.07 -1.28 -0.00 0.00 0.00 178.44 177.66 1i5j h SER 73 N 0.00 0.00 0.00 0.17 0.87 -1.78 0.47 113.55 113.28 1i5j h SER 73 Ca -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1i5j h SER 73 Cb 1.12 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1i5j h SER 73 CO 0.07 0.07 -1.12 0.52 -0.53 0.00 0.00 176.83 175.84 1i5j n VAL 74 N -3.31 0.04 -0.02 2.23 0.31 -1.08 -0.19 118.33 116.32 1i5j n VAL 74 Ca -0.01 -0.07 0.05 0.00 -0.01 0.00 0.00 64.34 64.30 1i5j n VAL 74 Cb 0.26 0.05 -0.15 0.00 -0.91 0.00 0.00 33.84 33.09 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 -1.72 0.12 -0.08 7.52 -0.00 0.15 -4.39 117.00 118.61 1i5j n LEU 75 Ca -0.01 0.05 0.07 0.00 -0.00 0.00 0.00 56.01 56.12 1i5j n LEU 75 Cb 0.21 0.12 -0.06 0.00 -0.00 0.00 0.00 43.42 43.69 1i5j n LEU 75 CO 0.05 0.12 0.04 0.29 -0.00 0.00 0.00 177.39 177.89 1i5j n LYS 76 N -2.46 2.19 -0.29 1.47 5.02 -0.03 -4.98 118.16 119.09 1i5j n LYS 76 Ca -0.11 -0.19 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 1i5j n LYS 76 Cb 0.73 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 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 1.28 0.77 1.75 0.72 0.00 -1.14 -4.69 105.19 103.88 1i5j n GLY 77 Ca 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.09 -0.31 -0.60 1.61 0.00 0.73 -4.97 120.64 117.02 1i5j n GLU 78 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 57.16 57.34 1i5j n GLU 78 Cb 0.06 -2.12 0.00 0.00 0.00 0.00 0.00 31.44 29.38 1i5j n GLU 78 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22