#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 -1.42 -0.00 -1.26 -4.69 117.46 109.91 1i5j n PHE 14 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.43 1i5j n PHE 14 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 39.48 39.56 1i5j n PHE 14 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1i5j h LEU 15 N 0.00 0.27 -0.99 -2.13 3.38 -2.05 -1.08 115.31 112.71 1i5j h LEU 15 Ca 0.00 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1i5j h LEU 15 Cb 0.24 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1i5j h LEU 15 CO 0.00 0.18 -0.50 0.74 0.09 0.00 0.00 178.44 178.94 1i5j h THR 16 N 0.43 1.36 0.00 0.22 2.02 -1.99 -1.48 112.91 113.46 1i5j h THR 16 Ca 0.27 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.72 1i5j h THR 16 Cb 0.27 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1i5j h THR 16 CO -0.24 0.49 0.00 0.00 0.37 0.00 0.00 175.52 176.14 1i5j n GLN 17 N -3.94 0.31 -0.05 6.66 1.13 -0.46 -2.64 117.38 118.39 1i5j n GLN 17 Ca -0.01 0.08 -0.06 0.00 -1.94 0.00 0.00 57.00 55.06 1i5j n GLN 17 Cb 0.52 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.31 1i5j n GLN 17 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1i5j n VAL 18 N -1.29 0.61 0.24 5.09 0.31 -0.88 -4.22 118.33 118.18 1i5j n VAL 18 Ca 0.10 -0.28 -0.10 0.00 -0.01 0.00 0.00 64.34 64.06 1i5j n VAL 18 Cb 0.18 -0.85 -0.05 0.00 -0.91 0.00 0.00 33.84 32.22 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 -0.60 -0.03 5.55 1.79 -1.30 0.37 116.57 122.35 1i5j h LYS 19 Ca -0.24 0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.28 1i5j h LYS 19 Cb 1.42 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 32.21 1i5j h LYS 19 CO -0.02 -0.40 0.08 0.93 -1.08 0.00 0.00 179.45 178.96 1i5j h GLU 20 N -0.83 0.00 0.07 3.15 4.39 -1.77 0.29 114.58 119.89 1i5j h GLU 20 Ca -0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1i5j h GLU 20 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1i5j h GLU 20 CO 0.11 0.00 -0.04 1.03 -1.16 0.00 0.00 179.01 178.95 1i5j h SER 21 N 0.00 -0.08 0.12 1.42 0.87 -1.69 -2.67 113.55 111.51 1i5j h SER 21 Ca 0.02 -0.27 -0.04 0.00 -1.23 0.00 0.00 61.79 60.27 1i5j h SER 21 Cb 0.18 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1i5j h SER 21 CO -0.00 0.52 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.61 1i5j h LEU 22 N -0.99 0.05 -0.76 2.23 4.07 0.21 -1.90 115.31 118.22 1i5j h LEU 22 Ca -0.01 -0.01 -0.13 0.00 0.08 0.00 0.00 57.88 57.82 1i5j h LEU 22 Cb 0.35 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 1i5j h LEU 22 CO 0.02 0.20 -0.43 -1.28 -1.08 0.00 0.00 178.44 175.86 1i5j h SER 23 N 0.06 0.44 -0.21 -0.43 0.87 -0.53 -2.86 113.55 110.88 1i5j h SER 23 Ca 0.01 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.31 1i5j h SER 23 Cb 0.29 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1i5j h SER 23 CO 0.02 0.82 -0.06 0.28 -0.53 0.00 0.00 176.83 177.36 1i5j h SER 24 N 0.34 0.52 -0.77 6.23 0.02 -0.98 1.11 113.55 120.02 1i5j h SER 24 Ca 0.03 -0.12 0.13 0.00 -0.84 0.00 0.00 61.79 60.98 1i5j h SER 24 Cb 0.90 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.25 1i5j h SER 24 CO 0.08 0.64 0.51 0.22 -1.14 0.00 0.00 176.83 177.13 1i5j h TYR 25 N 0.51 0.61 0.00 3.45 5.03 -1.31 -1.26 116.97 124.00 1i5j h TYR 25 Ca 0.10 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.43 1i5j h TYR 25 Cb 0.43 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.52 1i5j h TYR 25 CO 0.02 0.25 -1.48 0.91 -1.32 0.00 0.00 178.16 176.54 1i5j n TRP 26 N -4.50 0.00 -0.25 -3.82 7.02 -0.81 -4.44 117.44 110.64 1i5j n TRP 26 Ca 0.14 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.56 1i5j n TRP 26 Cb 0.45 -0.27 0.05 0.00 -2.42 0.00 0.00 31.31 29.13 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 0.98 -0.58 -0.99 4.81 0.24 -1.79 114.58 117.25 1i5j h GLU 27 Ca 0.00 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1i5j h GLU 27 Cb 0.69 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1i5j h GLU 27 CO 0.00 0.73 0.25 1.03 -0.73 0.00 0.00 179.01 180.29 1i5j h SER 28 N 0.97 0.75 -0.53 1.04 0.87 -1.69 0.65 113.55 115.60 1i5j h SER 28 Ca 0.25 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 1i5j h SER 28 Cb 0.03 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 1i5j h SER 28 CO -0.04 0.66 0.25 0.00 -0.53 0.00 0.00 176.83 177.17 1i5j h ALA 29 N 1.45 1.37 0.00 6.23 0.00 -1.59 0.18 119.26 126.90 1i5j h ALA 29 Ca 0.20 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 1i5j h ALA 29 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1i5j h ALA 29 CO -0.02 0.49 -0.83 -0.22 0.00 0.00 0.00 179.25 178.67 1i5j h LYS 30 N 0.81 0.00 0.20 0.00 3.64 -0.37 -3.12 116.57 117.72 1i5j h LYS 30 Ca 0.20 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1i5j h LYS 30 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1i5j h LYS 30 CO -0.02 0.83 -0.09 1.15 -2.27 0.00 0.00 179.45 179.04 1i5j h THR 31 N 0.00 0.90 -0.10 1.00 2.02 0.15 -1.43 112.91 115.45 1i5j h THR 31 Ca -0.01 -0.72 0.03 0.00 0.77 0.00 0.00 66.41 66.48 1i5j h THR 31 Cb 1.56 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1i5j h THR 31 CO 0.11 0.16 0.20 0.00 0.37 0.00 0.00 175.52 176.36 1i5j h ALA 32 N 0.06 1.52 0.01 6.16 0.00 -0.79 0.43 119.26 126.64 1i5j h ALA 32 Ca -0.03 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 1i5j h ALA 32 Cb 0.46 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1i5j h ALA 32 CO 0.04 -0.26 -1.09 0.00 0.00 0.00 0.00 179.25 177.95 1i5j h ALA 33 N 1.69 0.38 -0.01 0.00 0.00 -1.40 -3.14 119.26 116.77 1i5j h ALA 33 Ca 0.05 -0.97 -0.15 0.00 0.00 0.00 0.00 54.91 53.84 1i5j h ALA 33 Cb 0.45 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1i5j h ALA 33 CO -0.00 1.27 -0.57 0.37 0.00 0.00 0.00 179.25 180.31 1i5j h GLN 34 N 0.01 0.41 0.28 0.00 4.15 0.87 -2.84 115.11 117.98 1i5j h GLN 34 Ca -0.05 -0.42 0.01 0.00 0.77 0.00 0.00 58.65 58.95 1i5j h GLN 34 Cb 1.81 0.12 -0.03 0.00 0.21 0.00 0.00 27.48 29.58 1i5j h GLN 34 CO 0.13 1.09 -0.41 -0.97 -1.93 0.00 0.00 178.83 176.74 1i5j h ASN 35 N -0.09 -1.15 -0.23 -0.69 -0.73 -1.21 0.25 115.58 111.73 1i5j h ASN 35 Ca -0.07 0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.22 1i5j h ASN 35 Cb 1.27 0.41 -0.01 0.00 0.27 0.00 0.00 38.32 40.26 1i5j h ASN 35 CO 0.11 -0.52 0.15 0.25 -0.37 0.00 0.00 177.43 177.05 1i5j h LEU 36 N -0.74 0.27 -0.57 0.34 5.85 -1.67 1.64 115.31 120.43 1i5j h LEU 36 Ca -0.01 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1i5j h LEU 36 Cb 0.71 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1i5j h LEU 36 CO -0.14 0.20 -0.11 -1.22 -0.34 0.00 0.00 178.44 176.83 1i5j n TYR 37 N -4.49 0.00 0.18 1.25 4.02 -0.83 -3.98 117.16 113.30 1i5j n TYR 37 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1i5j n TYR 37 Cb 0.08 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 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 -0.44 0.00 -0.22 -0.72 4.71 0.82 -4.77 120.64 120.03 1i5j n GLU 38 Ca 0.16 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.29 1i5j n GLU 38 Cb 0.32 0.00 0.09 0.00 -1.01 0.00 0.00 31.44 30.83 1i5j n GLU 38 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1i5j h LYS 39 N 0.00 0.62 0.00 3.49 1.79 0.17 -1.38 116.57 121.26 1i5j h LYS 39 Ca 0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1i5j h LYS 39 Cb 0.00 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.51 1i5j h LYS 39 CO 0.00 0.41 -0.24 2.41 -1.08 0.00 0.00 179.45 180.95 1i5j n THR 40 N -4.81 0.20 -0.10 -0.16 -1.04 0.42 -2.59 114.28 106.19 1i5j n THR 40 Ca 0.08 -0.12 0.04 0.00 -2.04 0.00 0.00 64.05 62.01 1i5j n THR 40 Cb 0.17 -0.27 0.36 0.00 -1.82 0.00 0.00 70.33 68.78 1i5j n THR 40 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1i5j h TYR 41 N 0.00 0.68 0.00 -1.42 3.20 -1.37 -3.43 116.97 114.63 1i5j h TYR 41 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1i5j h TYR 41 Cb 0.60 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1i5j h TYR 41 CO 0.00 0.41 0.00 1.28 -1.64 0.00 0.00 178.16 178.21 1i5j n LEU 42 N -4.46 -1.13 -3.52 2.82 4.32 -1.23 -4.98 117.00 108.82 1i5j n LEU 42 Ca 0.06 0.60 -0.43 0.00 -0.02 0.00 0.00 56.01 56.22 1i5j n LEU 42 Cb 0.09 1.24 -0.10 0.00 -1.62 0.00 0.00 43.42 43.03 1i5j n LEU 42 CO 0.35 -0.54 1.67 -2.65 -1.22 0.00 0.00 177.39 175.00 1i5j n PRO 43 N -3.48 0.46 -0.67 3.23 -0.02 -1.07 -3.46 135.00 130.00 1i5j n PRO 43 Ca 0.00 -1.24 -0.03 0.00 -2.02 0.00 0.00 63.50 60.21 1i5j n PRO 43 Cb 0.00 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 30.84 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 8.42 0.67 -0.13 3.55 0.00 -1.26 -4.57 120.51 127.20 1i5j n ALA 44 Ca 0.47 -0.26 -0.27 0.00 0.00 0.00 0.00 53.44 53.37 1i5j n ALA 44 Cb 0.40 -0.26 -0.10 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 n VAL 45 N 0.00 1.53 -2.41 0.00 0.31 -1.22 -4.99 118.33 111.55 1i5j n VAL 45 Ca -0.11 -0.28 -0.20 0.00 -0.01 0.00 0.00 64.34 63.74 1i5j n VAL 45 Cb 0.42 -1.92 -0.01 0.00 -0.91 0.00 0.00 33.84 31.41 1i5j n VAL 45 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1i5j n ASP 46 N -4.30 -5.75 0.02 4.52 -0.08 -1.26 -4.69 116.55 105.02 1i5j n ASP 46 Ca -0.48 -0.03 0.00 0.00 -1.51 0.00 0.00 54.79 52.77 1i5j n ASP 46 Cb 0.83 -4.76 0.00 0.00 2.34 0.00 0.00 41.12 39.53 1i5j n ASP 46 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1i5j n GLU 47 N -2.98 0.00 0.00 -0.67 4.07 -1.26 -4.45 120.64 115.35 1i5j n GLU 47 Ca -0.23 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.87 1i5j n GLU 47 Cb 0.68 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.06 1i5j n GLU 47 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1i5j n LYS 48 N -2.62 1.44 -0.00 5.31 5.02 -1.26 -4.30 118.16 121.74 1i5j n LYS 48 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1i5j n LYS 48 Cb 0.00 -0.97 -0.08 0.00 -0.02 0.00 0.00 35.03 33.96 1i5j n LYS 48 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1i5j n LEU 49 N -1.58 0.06 -2.41 -0.35 4.77 -1.26 -4.68 117.00 111.55 1i5j n LEU 49 Ca 0.00 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1i5j n LEU 49 Cb 0.15 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.29 1i5j n LEU 49 CO 0.00 0.02 0.02 0.54 -1.33 0.00 0.00 177.39 176.64 1i5j n ARG 50 N -1.79 1.35 -0.08 3.23 5.12 -1.26 -4.77 116.66 118.45 1i5j n ARG 50 Ca -0.01 -3.13 -0.11 0.00 -1.93 0.00 0.00 57.85 52.66 1i5j n ARG 50 Cb 0.26 -1.21 -0.15 0.00 -1.16 0.00 0.00 32.46 30.20 1i5j n ARG 50 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1i5j n ASP 51 N -0.32 0.54 -0.34 0.55 2.03 -1.26 -4.24 116.55 113.50 1i5j n ASP 51 Ca 0.09 0.07 0.15 0.00 0.52 0.00 0.00 54.79 55.62 1i5j n ASP 51 Cb 0.90 0.52 0.35 0.00 -0.72 0.00 0.00 41.12 42.16 1i5j n ASP 51 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1i5j h LEU 52 N 0.00 0.68 0.50 -2.67 8.10 -1.88 0.14 115.31 120.18 1i5j h LEU 52 Ca -0.50 0.12 -0.02 0.00 0.11 0.00 0.00 57.88 57.59 1i5j h LEU 52 Cb 2.15 0.01 0.00 0.00 -0.44 0.00 0.00 40.66 42.38 1i5j h LEU 52 CO 0.03 0.16 -0.24 0.22 -4.11 0.00 0.00 178.44 174.50 1i5j h TYR 53 N 0.63 -0.62 0.00 0.17 3.20 -1.95 -2.78 116.97 115.62 1i5j h TYR 53 Ca 0.61 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.46 1i5j h TYR 53 Cb 1.06 0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.54 1i5j h TYR 53 CO -0.02 -0.32 0.00 -1.13 -1.64 0.00 0.00 178.16 175.05 1i5j n SER 54 N -5.32 0.00 -0.40 -2.11 3.41 -0.59 -1.80 113.62 106.82 1i5j n SER 54 Ca -0.11 -1.07 0.09 0.00 -0.26 0.00 0.00 58.87 57.52 1i5j n SER 54 Cb 0.31 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.76 1.43 -0.51 4.33 4.76 0.39 -1.89 118.16 125.91 1i5j n LYS 55 Ca 0.09 -0.84 0.43 0.00 -2.87 0.00 0.00 58.31 55.12 1i5j n LYS 55 Cb 0.04 -1.37 0.75 0.00 -1.84 0.00 0.00 35.03 32.61 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 1.96 0.07 0.00 4.39 0.02 -1.24 -3.38 113.55 115.37 1i5j h SER 56 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1i5j h SER 56 Cb 0.63 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1i5j h SER 56 CO 0.00 -0.03 0.00 1.07 -1.14 0.00 0.00 176.83 176.73 1i5j n THR 57 N -4.19 0.00 0.00 -2.27 5.66 -1.26 -5.00 114.28 107.21 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 1.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.37 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 -0.01 0.00 0.08 1.79 0.00 -1.21 -4.98 120.51 116.18 1i5j n ALA 58 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1i5j n ALA 58 Cb 0.00 0.00 0.38 0.00 0.00 0.00 0.00 19.45 19.83 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 1.51 0.06 0.00 0.00 -1.64 0.39 119.26 119.59 1i5j h ALA 59 Ca 0.00 -0.18 -0.35 0.00 0.00 0.00 0.00 54.91 54.38 1i5j h ALA 59 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1i5j h ALA 59 CO 0.00 0.35 -2.04 0.00 0.00 0.00 0.00 179.25 177.56 1i5j n MET 60 N -4.31 0.70 -0.07 0.00 0.00 -1.23 -4.24 117.12 107.97 1i5j n MET 60 Ca 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 57.70 57.86 1i5j n MET 60 Cb 0.23 -1.68 0.11 0.00 0.00 0.00 0.00 33.22 31.88 1i5j n MET 60 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 1i5j h SER 61 N 0.03 0.73 -0.07 3.17 0.02 -1.77 -2.59 113.55 113.07 1i5j h SER 61 Ca -0.43 -0.26 0.02 0.00 -0.84 0.00 0.00 61.79 60.29 1i5j h SER 61 Cb 2.03 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 64.37 1i5j h SER 61 CO 0.05 0.94 0.09 0.74 -1.14 0.00 0.00 176.83 177.51 1i5j h THR 62 N 0.63 0.43 -0.04 -2.27 2.02 -0.39 0.42 112.91 113.71 1i5j h THR 62 Ca 0.09 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.17 1i5j h THR 62 Cb 0.72 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1i5j h THR 62 CO 0.06 0.00 -0.41 0.22 0.37 0.00 0.00 175.52 175.75 1i5j h TYR 63 N 0.00 0.10 -0.21 3.16 3.20 -1.64 -2.33 116.97 119.25 1i5j h TYR 63 Ca 0.03 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.94 1i5j h TYR 63 Cb 0.22 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1i5j h TYR 63 CO 0.00 0.48 0.31 1.15 -1.64 0.00 0.00 178.16 178.46 1i5j h THR 64 N 0.07 0.30 0.00 1.81 2.02 -1.01 0.71 112.91 116.81 1i5j h THR 64 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1i5j h THR 64 Cb 0.76 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1i5j h THR 64 CO 0.06 0.00 -1.49 0.61 0.37 0.00 0.00 175.52 175.07 1i5j n GLY 65 N -1.37 -1.24 0.00 2.16 0.00 -0.89 -4.07 105.19 99.79 1i5j n GLY 65 Ca 0.02 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.51 0.02 0.05 -0.61 2.08 0.17 -3.98 119.36 114.58 1i5j n ILE 66 Ca -0.03 -0.04 -0.13 0.00 0.56 0.00 0.00 62.75 63.11 1i5j n ILE 66 Cb 0.59 0.53 -0.08 0.00 -0.75 0.00 0.00 39.64 39.93 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 -0.09 0.00 1.39 3.04 -0.02 -2.95 116.94 118.31 1i5j h PHE 67 Ca 0.00 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 1i5j h PHE 67 Cb 0.53 0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.07 1i5j h PHE 67 CO 0.00 0.17 -0.15 1.15 -2.02 0.00 0.00 178.31 177.47 1i5j h THR 68 N -0.36 0.34 -0.64 4.41 2.02 -1.78 -3.15 112.91 113.76 1i5j h THR 68 Ca -0.01 -0.97 0.19 0.00 0.77 0.00 0.00 66.41 66.38 1i5j h THR 68 Cb 0.31 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 1i5j h THR 68 CO 0.02 0.14 0.48 -0.78 0.37 0.00 0.00 175.52 175.75 1i5j h ASP 69 N 0.00 0.00 -0.06 4.18 3.58 -1.65 0.55 116.42 123.03 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 0.73 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.78 1i5j h ASP 69 CO 0.02 0.00 0.00 1.67 -2.88 0.00 0.00 179.24 178.05 1i5j n GLN 70 N -4.27 1.65 -0.03 0.28 7.27 -1.19 -3.40 117.38 117.69 1i5j n GLN 70 Ca 0.12 -0.96 -0.04 0.00 0.07 0.00 0.00 57.00 56.20 1i5j n GLN 70 Cb 0.73 -1.45 -0.01 0.00 2.41 0.00 0.00 30.24 31.91 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 0.17 0.78 0.16 1.69 0.31 0.19 -4.03 118.33 117.59 1i5j n VAL 71 Ca 0.18 0.29 0.18 0.00 -0.01 0.00 0.00 64.34 64.98 1i5j n VAL 71 Cb 0.34 -1.82 0.79 0.00 -0.91 0.00 0.00 33.84 32.24 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 -0.42 0.00 0.00 7.52 8.10 -1.54 1.38 115.31 130.35 1i5j h LEU 72 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1i5j h LEU 72 Cb 0.42 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.64 1i5j h LEU 72 CO 0.00 0.00 -0.11 0.28 -4.11 0.00 0.00 178.44 174.50 1i5j h SER 73 N 0.00 0.00 0.00 0.17 0.02 -1.77 0.24 113.55 112.22 1i5j h SER 73 Ca 0.13 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1i5j h SER 73 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1i5j h SER 73 CO -0.00 0.02 -1.25 0.52 -1.14 0.00 0.00 176.83 174.97 1i5j n VAL 74 N -2.32 0.00 0.08 2.27 0.31 0.25 -4.02 118.33 114.89 1i5j n VAL 74 Ca 0.05 -0.21 -0.18 0.00 -0.01 0.00 0.00 64.34 63.99 1i5j n VAL 74 Cb 0.44 0.40 -0.14 0.00 -0.91 0.00 0.00 33.84 33.63 1i5j n VAL 74 CO 0.00 0.00 0.00 0.17 -1.32 0.00 0.00 176.83 175.68 1i5j h LEU 75 N 0.00 0.45 0.00 7.52 8.10 0.14 -3.47 115.31 128.05 1i5j h LEU 75 Ca 0.00 -0.57 0.00 0.00 0.11 0.00 0.00 57.88 57.42 1i5j h LEU 75 Cb 0.37 -0.15 0.00 0.00 -0.44 0.00 0.00 40.66 40.44 1i5j h LEU 75 CO 0.00 1.46 0.00 0.29 -4.11 0.00 0.00 178.44 176.08 1i5j n LYS 76 N -3.50 0.00 -2.56 0.17 5.02 -1.20 -5.06 118.16 111.03 1i5j n LYS 76 Ca -0.15 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.10 1i5j n LYS 76 Cb 1.05 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 36.09 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 1.91 0.01 1.55 0.72 0.00 -1.19 -5.00 105.19 103.19 1i5j n GLY 77 Ca 0.00 -0.06 -0.00 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 -0.57 -0.06 0.00 1.61 2.13 0.64 -4.90 120.64 119.49 1i5j n GLU 78 Ca -0.17 0.06 0.12 0.00 0.66 0.00 0.00 57.16 57.83 1i5j n GLU 78 Cb 0.71 -1.62 0.73 0.00 0.27 0.00 0.00 31.44 31.52 1i5j n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81