#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 -0.18 0.03 4.78 -0.00 -1.26 -4.82 117.46 116.00 1i5j n PHE 14 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.35 1i5j n PHE 14 Cb 0.00 0.23 -0.04 0.00 -0.00 0.00 0.00 39.48 39.66 1i5j n PHE 14 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 176.76 178.13 1i5j h LEU 15 N 0.00 -0.28 -2.38 -2.13 8.10 -2.07 -1.45 115.31 115.11 1i5j h LEU 15 Ca 0.00 0.05 -0.01 0.00 0.11 0.00 0.00 57.88 58.03 1i5j h LEU 15 Cb 0.00 0.13 -0.00 0.00 -0.44 0.00 0.00 40.66 40.35 1i5j h LEU 15 CO 0.00 -0.13 -0.03 0.00 -4.11 0.00 0.00 178.44 174.17 1i5j h THR 16 N -0.14 0.46 -0.72 0.15 1.03 -2.00 -2.45 112.91 109.24 1i5j h THR 16 Ca 0.06 -0.15 0.08 0.00 -0.01 0.00 0.00 66.41 66.39 1i5j h THR 16 Cb 0.21 1.10 -0.07 0.00 -1.07 0.00 0.00 68.15 68.33 1i5j h THR 16 CO -0.14 0.03 0.39 -0.61 -0.01 0.00 0.00 175.52 175.18 1i5j h GLN 17 N 0.00 0.66 -0.47 0.00 5.75 -1.58 -0.09 115.11 119.38 1i5j h GLN 17 Ca -0.00 -0.04 -0.14 0.00 -0.15 0.00 0.00 58.65 58.32 1i5j h GLN 17 Cb 0.10 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 1i5j h GLN 17 CO 0.00 0.44 -0.24 0.28 -2.65 0.00 0.00 178.83 176.66 1i5j h VAL 18 N 0.68 1.27 0.87 2.39 2.07 -1.48 -1.63 116.25 120.43 1i5j h VAL 18 Ca 0.34 -1.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 1i5j h VAL 18 Cb 0.29 1.16 0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1i5j h VAL 18 CO -0.23 0.48 -0.42 0.50 0.02 0.00 0.00 177.57 177.92 1i5j h LYS 19 N 0.84 -1.13 0.00 1.57 1.63 -1.40 -0.12 116.57 117.96 1i5j h LYS 19 Ca 0.10 0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1i5j h LYS 19 Cb 0.82 0.26 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 1i5j h LYS 19 CO 0.07 -0.75 0.03 0.93 -3.45 0.00 0.00 179.45 176.28 1i5j h GLU 20 N -1.25 0.00 0.19 1.90 5.08 -1.10 0.87 114.58 120.27 1i5j h GLU 20 Ca -0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1i5j h GLU 20 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1i5j h GLU 20 CO 0.20 0.00 -0.09 1.03 -1.00 0.00 0.00 179.01 179.15 1i5j h SER 21 N 0.00 -0.21 -0.80 1.42 0.87 -0.53 -1.23 113.55 113.06 1i5j h SER 21 Ca 0.00 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.36 1i5j h SER 21 Cb 0.05 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.03 1i5j h SER 21 CO 0.00 0.32 0.37 0.25 -0.53 0.00 0.00 176.83 177.24 1i5j h LEU 22 N -1.01 1.07 -1.18 2.23 6.46 -0.52 -1.20 115.31 121.15 1i5j h LEU 22 Ca -0.03 -0.14 -0.07 0.00 -0.12 0.00 0.00 57.88 57.53 1i5j h LEU 22 Cb 0.37 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1i5j h LEU 22 CO 0.04 0.91 -0.13 0.28 -0.62 0.00 0.00 178.44 178.92 1i5j h SER 23 N 1.16 0.39 0.41 1.25 0.02 -0.95 -2.14 113.55 113.69 1i5j h SER 23 Ca 0.28 -0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 61.01 1i5j h SER 23 Cb 0.14 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1i5j h SER 23 CO -0.03 0.56 -0.53 0.28 -1.14 0.00 0.00 176.83 175.97 1i5j h SER 24 N 0.38 0.14 -0.78 3.07 0.02 -0.35 0.74 113.55 116.78 1i5j h SER 24 Ca 0.07 -0.07 0.14 0.00 -0.84 0.00 0.00 61.79 61.09 1i5j h SER 24 Cb 0.47 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.91 1i5j h SER 24 CO 0.03 0.65 0.52 0.22 -1.14 0.00 0.00 176.83 177.10 1i5j h TYR 25 N 0.10 0.59 0.00 3.45 5.03 -0.55 -1.64 116.97 123.96 1i5j h TYR 25 Ca 0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1i5j h TYR 25 Cb 0.97 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 39.06 1i5j h TYR 25 CO 0.01 0.23 -1.27 0.91 -1.32 0.00 0.00 178.16 176.72 1i5j n TRP 26 N -4.50 0.00 -0.23 -3.82 8.01 -1.06 -4.53 117.44 111.31 1i5j n TRP 26 Ca 0.15 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 56.30 1i5j n TRP 26 Cb 0.49 -0.20 0.07 0.00 -2.01 0.00 0.00 31.31 29.66 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 0.75 -0.74 -0.99 4.57 0.15 -1.44 114.58 116.89 1i5j h GLU 27 Ca 0.00 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1i5j h GLU 27 Cb 0.54 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.93 1i5j h GLU 27 CO 0.00 0.50 0.41 1.03 -1.18 0.00 0.00 179.01 179.77 1i5j h SER 28 N 0.78 0.91 -0.60 1.04 0.87 -1.74 0.93 113.55 115.73 1i5j h SER 28 Ca 0.27 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1i5j h SER 28 Cb 0.04 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.74 1i5j h SER 28 CO -0.11 0.73 0.31 0.00 -0.53 0.00 0.00 176.83 177.23 1i5j h ALA 29 N 1.42 1.37 0.00 6.23 0.00 -1.57 0.66 119.26 127.37 1i5j h ALA 29 Ca 0.26 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1i5j h ALA 29 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1i5j h ALA 29 CO -0.04 0.50 -0.74 0.87 0.00 0.00 0.00 179.25 179.84 1i5j h LYS 30 N 0.88 0.00 0.35 0.00 1.57 -0.13 -2.62 116.57 116.63 1i5j h LYS 30 Ca 0.22 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1i5j h LYS 30 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1i5j h LYS 30 CO -0.03 0.74 -0.17 1.15 -0.57 0.00 0.00 179.45 180.57 1i5j h THR 31 N 0.00 0.21 -0.05 -0.16 2.02 0.24 -2.12 112.91 113.05 1i5j h THR 31 Ca -0.01 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.48 1i5j h THR 31 Cb 1.45 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1i5j h THR 31 CO 0.10 0.05 0.11 0.00 0.37 0.00 0.00 175.52 176.15 1i5j h ALA 32 N -0.93 1.36 0.00 6.16 0.00 0.14 0.28 119.26 126.28 1i5j h ALA 32 Ca -0.05 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1i5j h ALA 32 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1i5j h ALA 32 CO 0.08 -0.14 -0.87 0.00 0.00 0.00 0.00 179.25 178.32 1i5j h ALA 33 N 1.82 0.57 -0.71 0.00 0.00 -1.40 -3.24 119.26 116.30 1i5j h ALA 33 Ca 0.02 -0.79 -0.05 0.00 0.00 0.00 0.00 54.91 54.10 1i5j h ALA 33 Cb 0.25 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1i5j h ALA 33 CO -0.00 1.08 0.26 1.96 0.00 0.00 0.00 179.25 182.54 1i5j h GLN 34 N 0.00 1.08 0.04 0.00 4.20 0.27 -0.76 115.11 119.95 1i5j h GLN 34 Ca -0.01 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 1i5j h GLN 34 Cb 1.53 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.15 1i5j h GLN 34 CO 0.11 0.91 -0.02 -0.97 -0.67 0.00 0.00 178.83 178.19 1i5j h ASN 35 N 1.03 -0.05 0.37 1.46 -0.73 -1.56 0.92 115.58 117.03 1i5j h ASN 35 Ca 0.23 -0.03 -0.07 0.00 1.87 0.00 0.00 56.30 58.31 1i5j h ASN 35 Cb 0.25 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.85 1i5j h ASN 35 CO -0.01 -0.01 -0.33 0.25 -0.37 0.00 0.00 177.43 176.96 1i5j h LEU 36 N -0.09 0.00 -1.12 0.34 6.46 -1.56 1.10 115.31 120.43 1i5j h LEU 36 Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1i5j h LEU 36 Cb 0.07 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 1i5j h LEU 36 CO 0.01 0.33 -0.29 -1.22 -0.62 0.00 0.00 178.44 176.65 1i5j n TYR 37 N -4.06 0.00 0.08 1.25 4.01 -0.30 -4.07 117.16 114.07 1i5j n TYR 37 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1i5j n TYR 37 Cb 0.38 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 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 0.20 0.00 0.00 -0.72 -0.58 0.32 -4.56 120.64 115.30 1i5j n GLU 38 Ca 0.12 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.96 1i5j n GLU 38 Cb 0.47 -0.01 0.56 0.00 -0.57 0.00 0.00 31.44 31.89 1i5j n GLU 38 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1i5j n LYS 39 N -3.05 0.50 0.00 3.49 4.76 0.32 -2.68 118.16 121.50 1i5j n LYS 39 Ca 0.00 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1i5j n LYS 39 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 1i5j n LYS 39 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1i5j n THR 40 N -1.11 0.00 0.00 -0.18 -1.04 0.20 -4.67 114.28 107.49 1i5j n THR 40 Ca 0.13 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1i5j n THR 40 Cb 0.10 0.88 0.00 0.00 -1.82 0.00 0.00 70.33 69.49 1i5j n THR 40 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i5j n TYR 41 N -0.79 -0.61 -0.09 -1.42 9.36 -1.09 -4.66 117.16 117.86 1i5j n TYR 41 Ca 0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 1i5j n TYR 41 Cb 0.00 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1i5j n TYR 41 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1i5j h LEU 42 N 0.00 -0.66 -0.96 2.98 3.38 -1.93 -1.34 115.31 116.77 1i5j h LEU 42 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1i5j h LEU 42 Cb 0.00 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1i5j h LEU 42 CO 0.00 -0.23 0.00 -0.81 0.09 0.00 0.00 178.44 177.49 1i5j n PRO 43 N -5.36 0.41 -0.07 1.13 -0.04 -1.26 -1.95 135.00 127.86 1i5j n PRO 43 Ca 0.01 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 1i5j n PRO 43 Cb 0.28 -1.20 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.27 1.46 0.08 0.55 0.00 -0.51 -4.79 120.51 117.57 1i5j n ALA 44 Ca 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 53.44 52.53 1i5j n ALA 44 Cb 0.10 -0.08 0.02 0.00 0.00 0.00 0.00 19.45 19.49 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 2.51 1.44 0.00 0.00 2.07 -1.45 -2.63 116.25 118.20 1i5j h VAL 45 Ca 0.00 -2.39 -0.09 0.00 0.82 0.00 0.00 66.70 65.04 1i5j h VAL 45 Cb 0.92 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 1i5j h VAL 45 CO 0.00 0.70 -0.44 0.44 0.02 0.00 0.00 177.57 178.29 1i5j h ASP 46 N 0.16 0.00 0.07 0.57 3.32 -1.87 -3.19 116.42 115.48 1i5j h ASP 46 Ca -0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1i5j h ASP 46 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 1i5j h ASP 46 CO 0.13 0.44 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.73 1i5j h GLU 47 N 0.00 -0.09 -0.93 3.56 5.08 -1.73 0.16 114.58 120.63 1i5j h GLU 47 Ca -0.00 0.01 0.24 0.00 -1.00 0.00 0.00 59.36 58.60 1i5j h GLU 47 Cb 1.23 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 1i5j h GLU 47 CO 0.06 0.46 0.64 1.57 -1.00 0.00 0.00 179.01 180.73 1i5j h LYS 48 N -0.91 0.23 0.00 2.33 2.10 -1.58 0.62 116.57 119.37 1i5j h LYS 48 Ca -0.01 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1i5j h LYS 48 Cb 0.59 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1i5j h LYS 48 CO 0.02 0.15 -1.00 1.47 -2.00 0.00 0.00 179.45 178.09 1i5j n LEU 49 N -4.43 0.63 -3.18 7.07 -0.00 -1.20 -4.66 117.00 111.23 1i5j n LEU 49 Ca 0.20 0.08 -0.18 0.00 -0.00 0.00 0.00 56.01 56.11 1i5j n LEU 49 Cb 0.85 -0.10 -0.06 0.00 -0.00 0.00 0.00 43.42 44.10 1i5j n LEU 49 CO 0.33 -0.01 -0.15 -0.60 -0.00 0.00 0.00 177.39 176.96 1i5j s ARG 50 N -3.24 0.92 0.00 1.47 3.52 0.21 -4.94 118.95 116.89 1i5j s ARG 50 Ca 0.03 -1.60 0.00 0.00 -0.13 0.00 0.00 55.73 54.03 1i5j s ARG 50 Cb 0.13 -0.87 0.00 0.00 -1.56 0.00 0.00 34.95 32.66 1i5j s ARG 50 CO 0.79 -1.34 0.00 -0.25 -0.81 0.00 0.00 175.30 173.69 1i5j n ASP 51 N 3.06 0.00 -0.55 -2.12 9.92 -0.41 -4.31 116.55 122.15 1i5j n ASP 51 Ca 0.23 0.00 0.44 0.00 -0.53 0.00 0.00 54.79 54.94 1i5j n ASP 51 Cb 0.50 0.40 0.75 0.00 -0.64 0.00 0.00 41.12 42.13 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 0.08 0.00 0.64 8.10 -1.88 0.93 115.31 123.19 1i5j h LEU 52 Ca 0.00 0.05 -0.02 0.00 0.11 0.00 0.00 57.88 58.01 1i5j h LEU 52 Cb 0.00 0.04 -0.00 0.00 -0.44 0.00 0.00 40.66 40.26 1i5j h LEU 52 CO 0.00 -0.06 -0.20 0.22 -4.11 0.00 0.00 178.44 174.30 1i5j h TYR 53 N 0.03 0.00 0.00 0.17 3.20 -1.95 -3.14 116.97 115.28 1i5j h TYR 53 Ca 0.83 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.70 1i5j h TYR 53 Cb 3.09 0.00 0.00 0.00 1.54 0.00 0.00 36.73 41.36 1i5j h TYR 53 CO -0.00 0.44 0.00 0.43 -1.64 0.00 0.00 178.16 177.39 1i5j n SER 54 N -4.67 0.24 0.00 -2.11 7.64 0.20 -2.57 113.62 112.34 1i5j n SER 54 Ca -0.07 -1.73 0.00 0.00 1.01 0.00 0.00 58.87 58.08 1i5j n SER 54 Cb 0.25 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 -0.35 6.16 -0.01 1.43 4.81 0.30 -3.49 118.16 127.02 1i5j n LYS 55 Ca 0.00 -0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.44 1i5j n LYS 55 Cb 0.06 -0.45 0.01 0.00 0.02 0.00 0.00 35.03 34.67 1i5j n LYS 55 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1i5j n SER 56 N -0.88 1.46 0.00 3.14 7.64 -1.07 -3.25 113.62 120.65 1i5j n SER 56 Ca 0.00 -1.40 0.00 0.00 1.01 0.00 0.00 58.87 58.48 1i5j n SER 56 Cb 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1i5j n SER 56 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1i5j n THR 57 N -0.11 0.00 0.00 0.44 5.66 -1.06 -4.80 114.28 114.41 1i5j n THR 57 Ca 0.01 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1i5j n THR 57 Cb 0.12 0.48 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 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 -1.31 2.64 0.24 1.79 0.00 -1.26 -4.65 120.51 117.96 1i5j n ALA 58 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1i5j n ALA 58 Cb 0.00 0.03 0.38 0.00 0.00 0.00 0.00 19.45 19.86 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 -2.18 1.29 -0.12 0.00 0.00 -1.23 -0.88 120.51 117.38 1i5j n ALA 59 Ca 0.00 0.08 -0.16 0.00 0.00 0.00 0.00 53.44 53.36 1i5j n ALA 59 Cb 0.03 -1.24 -0.13 0.00 0.00 0.00 0.00 19.45 18.11 1i5j n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i5j n MET 60 N -1.95 0.66 0.09 0.00 0.00 -1.20 -3.51 117.12 111.22 1i5j n MET 60 Ca 0.01 0.11 -0.06 0.00 0.00 0.00 0.00 57.70 57.76 1i5j n MET 60 Cb 0.10 -1.52 0.08 0.00 0.00 0.00 0.00 33.22 31.88 1i5j n MET 60 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1i5j h SER 61 N 0.00 0.22 1.56 3.17 4.64 -1.75 -3.02 113.55 118.38 1i5j h SER 61 Ca -0.57 -0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 60.53 1i5j h SER 61 Cb 1.97 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.99 1i5j h SER 61 CO -0.06 0.85 -0.44 0.74 -0.87 0.00 0.00 176.83 177.05 1i5j h THR 62 N 0.13 0.58 -0.12 2.95 2.02 -1.22 -3.23 112.91 114.01 1i5j h THR 62 Ca -0.02 -1.84 -0.10 0.00 0.77 0.00 0.00 66.41 65.23 1i5j h THR 62 Cb 1.25 2.25 -0.01 0.00 -1.74 0.00 0.00 68.15 69.90 1i5j h THR 62 CO 0.11 0.33 -0.38 0.22 0.37 0.00 0.00 175.52 176.17 1i5j h TYR 63 N 0.00 0.28 -0.42 3.16 5.03 -1.57 -2.27 116.97 121.18 1i5j h TYR 63 Ca -0.01 -0.07 0.12 0.00 2.58 0.00 0.00 58.73 61.35 1i5j h TYR 63 Cb 1.28 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 39.48 1i5j h TYR 63 CO 0.00 0.59 0.41 1.79 -1.32 0.00 0.00 178.16 179.63 1i5j h THR 64 N 0.21 0.45 0.00 1.81 1.35 -1.56 0.78 112.91 115.94 1i5j h THR 64 Ca 0.02 0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.71 1i5j h THR 64 Cb 0.76 0.68 -0.03 0.00 -1.73 0.00 0.00 68.15 67.83 1i5j h THR 64 CO 0.06 0.00 -1.49 0.61 -0.25 0.00 0.00 175.52 174.45 1i5j n GLY 65 N -1.51 -1.18 0.05 5.82 0.00 -0.88 -3.88 105.19 103.61 1i5j n GLY 65 Ca 0.07 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1i5j n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1i5j n ILE 66 N -2.86 0.00 -0.03 -0.61 2.08 0.21 -4.00 119.36 114.15 1i5j n ILE 66 Ca -0.11 -0.02 -0.10 0.00 0.56 0.00 0.00 62.75 63.08 1i5j n ILE 66 Cb 0.84 0.03 -0.04 0.00 -0.75 0.00 0.00 39.64 39.72 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 0.23 0.20 0.00 1.39 3.57 0.09 -2.20 116.94 120.22 1i5j h PHE 67 Ca 0.00 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1i5j h PHE 67 Cb 0.48 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1i5j h PHE 67 CO 0.00 0.12 -0.45 1.15 -2.23 0.00 0.00 178.31 176.90 1i5j h THR 68 N 0.22 1.05 0.00 4.41 2.02 -1.80 -2.90 112.91 115.91 1i5j h THR 68 Ca 0.06 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.54 1i5j h THR 68 Cb -0.02 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1i5j h THR 68 CO -0.02 0.44 0.06 0.44 0.37 0.00 0.00 175.52 176.81 1i5j h ASP 69 N 0.00 0.00 -0.59 4.18 5.19 -1.53 0.22 116.42 123.89 1i5j h ASP 69 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1i5j h ASP 69 Cb 0.96 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.47 1i5j h ASP 69 CO 0.06 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.18 1i5j n GLN 70 N -2.89 2.83 -0.12 3.56 3.00 -1.09 -3.66 117.38 119.01 1i5j n GLN 70 Ca -0.03 -2.46 -0.22 0.00 -0.01 0.00 0.00 57.00 54.29 1i5j n GLN 70 Cb 0.12 -1.48 -0.12 0.00 0.00 0.00 0.00 30.24 28.77 1i5j n GLN 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1i5j n VAL 71 N 1.20 1.53 0.08 5.09 0.31 0.78 -3.80 118.33 123.50 1i5j n VAL 71 Ca 0.20 -0.51 0.11 0.00 -0.01 0.00 0.00 64.34 64.13 1i5j n VAL 71 Cb 0.57 -1.60 -0.04 0.00 -0.91 0.00 0.00 33.84 31.86 1i5j n VAL 71 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i5j n LEU 72 N -3.61 0.68 0.02 7.52 -0.00 -1.19 -1.27 117.00 119.15 1i5j n LEU 72 Ca -0.47 0.27 0.13 0.00 -0.00 0.00 0.00 56.01 55.94 1i5j n LEU 72 Cb 0.95 -0.04 0.46 0.00 -0.00 0.00 0.00 43.42 44.80 1i5j n LEU 72 CO 0.20 -0.13 0.77 -0.24 -0.00 0.00 0.00 177.39 178.00 1i5j n SER 73 N -2.61 0.28 0.00 1.45 2.88 -1.01 -0.72 113.62 113.89 1i5j n SER 73 Ca -0.02 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1i5j n SER 73 Cb 0.57 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 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 -1.64 0.00 0.00 2.46 0.31 -1.25 -2.91 118.33 115.31 1i5j n VAL 74 Ca 0.06 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1i5j n VAL 74 Cb 0.36 0.50 0.00 0.00 -0.91 0.00 0.00 33.84 33.79 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 -1.02 0.00 -0.00 7.52 4.77 -0.39 -4.76 117.00 123.11 1i5j n LEU 75 Ca 0.00 -0.28 0.06 0.00 -0.03 0.00 0.00 56.01 55.76 1i5j n LEU 75 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1i5j n LEU 75 CO 0.00 0.00 -0.11 0.29 -1.33 0.00 0.00 177.39 176.24 1i5j n LYS 76 N -0.89 2.54 0.00 3.23 5.02 -0.87 -4.97 118.16 122.23 1i5j n LYS 76 Ca 0.00 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1i5j n LYS 76 Cb 0.00 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 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 1.36 0.96 3.31 0.72 0.00 -1.04 -4.82 105.19 105.67 1i5j n GLY 77 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.28 0.00 1.61 4.07 -1.00 -4.95 120.64 117.09 1i5j n GLU 78 Ca 0.00 0.85 0.12 0.00 -0.06 0.00 0.00 57.16 58.07 1i5j n GLU 78 Cb 0.00 -5.80 0.10 0.00 -0.06 0.00 0.00 31.44 25.68 1i5j n GLU 78 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46