#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 -0.04 4.78 -0.00 -1.26 -4.21 117.46 116.73 1i5j n PHE 14 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.34 1i5j n PHE 14 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 39.43 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 0.23 -1.86 -2.13 3.38 -2.04 -2.64 115.31 110.24 1i5j h LEU 15 Ca 0.00 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.83 1i5j h LEU 15 Cb 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1i5j h LEU 15 CO 0.00 0.35 0.19 0.74 0.09 0.00 0.00 178.44 179.81 1i5j h THR 16 N 0.09 0.95 0.00 0.22 2.02 -1.97 0.75 112.91 114.97 1i5j h THR 16 Ca 0.05 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1i5j h THR 16 Cb 0.20 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1i5j h THR 16 CO -0.00 0.03 0.00 0.00 0.37 0.00 0.00 175.52 175.92 1i5j n GLN 17 N -4.49 0.17 -0.01 6.66 6.02 -1.00 -2.19 117.38 122.54 1i5j n GLN 17 Ca 0.03 0.11 -0.01 0.00 -0.01 0.00 0.00 57.00 57.11 1i5j n GLN 17 Cb 0.23 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.97 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 -1.38 0.14 0.10 5.09 0.31 0.42 -4.30 118.33 118.71 1i5j n VAL 18 Ca 0.08 -0.06 -0.04 0.00 -0.01 0.00 0.00 64.34 64.30 1i5j n VAL 18 Cb 0.20 -0.74 -0.02 0.00 -0.91 0.00 0.00 33.84 32.37 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 -0.26 -0.01 5.55 6.56 0.33 -0.49 116.57 128.25 1i5j h LYS 19 Ca -0.05 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1i5j h LYS 19 Cb 1.10 0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.82 1i5j h LYS 19 CO -0.00 -0.17 0.03 0.93 -2.06 0.00 0.00 179.45 178.17 1i5j h GLU 20 N -0.50 0.00 0.24 3.15 5.08 -1.65 0.26 114.58 121.16 1i5j h GLU 20 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1i5j h GLU 20 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1i5j h GLU 20 CO 0.05 0.00 -0.11 1.03 -1.00 0.00 0.00 179.01 178.97 1i5j h SER 21 N 0.00 -0.27 -0.45 1.42 0.87 -1.63 0.20 113.55 113.69 1i5j h SER 21 Ca 0.00 -0.23 -0.09 0.00 -1.23 0.00 0.00 61.79 60.24 1i5j h SER 21 Cb 0.06 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1i5j h SER 21 CO -0.00 0.24 -0.04 0.25 -0.53 0.00 0.00 176.83 176.75 1i5j h LEU 22 N -0.94 0.87 -0.81 2.23 5.85 -0.49 -2.51 115.31 119.51 1i5j h LEU 22 Ca -0.03 -0.24 -0.11 0.00 0.84 0.00 0.00 57.88 58.33 1i5j h LEU 22 Cb 0.49 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1i5j h LEU 22 CO 0.05 0.95 -0.34 -1.28 -0.34 0.00 0.00 178.44 177.49 1i5j h SER 23 N 0.81 0.51 -0.59 1.25 0.87 -0.58 -2.80 113.55 113.03 1i5j h SER 23 Ca 0.15 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1i5j h SER 23 Cb 0.54 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 1i5j h SER 23 CO 0.03 0.82 0.34 0.28 -0.53 0.00 0.00 176.83 177.77 1i5j h SER 24 N 0.42 0.74 -0.95 6.23 0.02 -0.16 1.25 113.55 121.10 1i5j h SER 24 Ca 0.05 -0.05 0.16 0.00 -0.84 0.00 0.00 61.79 61.11 1i5j h SER 24 Cb 0.80 -0.19 -0.08 0.00 0.14 0.00 0.00 62.40 63.07 1i5j h SER 24 CO 0.06 0.59 0.60 0.22 -1.14 0.00 0.00 176.83 177.17 1i5j h TYR 25 N 0.84 0.91 0.00 3.45 5.03 -1.20 -0.37 116.97 125.64 1i5j h TYR 25 Ca 0.22 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.55 1i5j h TYR 25 Cb 0.01 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.01 1i5j h TYR 25 CO 0.00 0.30 -1.62 0.91 -1.32 0.00 0.00 178.16 176.43 1i5j n TRP 26 N -4.61 0.03 -0.17 -3.82 8.01 -0.59 -4.34 117.44 111.95 1i5j n TRP 26 Ca 0.19 0.01 -0.11 0.00 -1.31 0.00 0.00 57.50 56.29 1i5j n TRP 26 Cb 0.50 -0.35 0.00 0.00 -2.01 0.00 0.00 31.31 29.45 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 0.99 -0.76 -0.99 4.81 0.32 -2.11 114.58 116.84 1i5j h GLU 27 Ca 0.00 -0.39 -0.06 0.00 -0.13 0.00 0.00 59.36 58.79 1i5j h GLU 27 Cb 0.83 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 1i5j h GLU 27 CO 0.00 1.06 0.26 1.03 -0.73 0.00 0.00 179.01 180.63 1i5j h SER 28 N 0.86 1.09 -0.47 1.04 0.87 -1.46 0.55 113.55 116.03 1i5j h SER 28 Ca 0.13 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 1i5j h SER 28 Cb 0.70 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 1i5j h SER 28 CO 0.05 0.99 0.21 0.00 -0.53 0.00 0.00 176.83 177.55 1i5j h ALA 29 N 1.15 1.40 0.00 6.23 0.00 -1.71 0.42 119.26 126.74 1i5j h ALA 29 Ca 0.25 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1i5j h ALA 29 Cb 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1i5j h ALA 29 CO -0.01 0.46 -0.64 0.87 0.00 0.00 0.00 179.25 179.93 1i5j h LYS 30 N 0.73 0.00 0.33 0.00 1.57 -0.60 -2.28 116.57 116.32 1i5j h LYS 30 Ca 0.18 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1i5j h LYS 30 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1i5j h LYS 30 CO -0.02 0.64 -0.16 1.15 -0.57 0.00 0.00 179.45 180.49 1i5j h THR 31 N 0.00 0.00 -0.25 -0.16 2.02 0.17 0.52 112.91 115.20 1i5j h THR 31 Ca -0.01 -0.65 0.07 0.00 0.77 0.00 0.00 66.41 66.60 1i5j h THR 31 Cb 1.30 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1i5j h THR 31 CO 0.08 0.00 0.27 0.00 0.37 0.00 0.00 175.52 176.25 1i5j h ALA 32 N -1.15 1.92 0.08 6.16 0.00 -0.35 0.10 119.26 126.02 1i5j h ALA 32 Ca -0.05 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 1i5j h ALA 32 Cb 0.34 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.17 1i5j h ALA 32 CO 0.07 -0.40 -0.86 0.00 0.00 0.00 0.00 179.25 178.06 1i5j h ALA 33 N 1.69 -0.01 -0.56 0.00 0.00 -1.39 -3.11 119.26 115.88 1i5j h ALA 33 Ca 0.12 -0.67 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 1i5j h ALA 33 Cb 0.67 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1i5j h ALA 33 CO -0.00 0.46 0.17 0.37 0.00 0.00 0.00 179.25 180.24 1i5j h GLN 34 N -0.08 0.85 0.46 0.00 4.15 0.15 0.33 115.11 120.96 1i5j h GLN 34 Ca -0.13 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.11 1i5j h GLN 34 Cb 1.60 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 29.16 1i5j h GLN 34 CO 0.16 0.74 -0.22 -0.97 -1.93 0.00 0.00 178.83 176.62 1i5j h ASN 35 N 0.82 -0.52 0.98 -0.69 -1.24 -1.09 1.09 115.58 114.95 1i5j h ASN 35 Ca 0.19 0.01 -0.18 0.00 0.71 0.00 0.00 56.30 57.02 1i5j h ASN 35 Cb 0.25 0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.41 1i5j h ASN 35 CO -0.01 -0.36 -0.87 0.25 -1.29 0.00 0.00 177.43 175.16 1i5j h LEU 36 N -0.64 0.00 -1.57 0.34 6.46 -1.46 0.20 115.31 118.64 1i5j h LEU 36 Ca -0.06 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 1i5j h LEU 36 Cb 0.48 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1i5j h LEU 36 CO 0.10 0.87 -0.09 -1.22 -0.62 0.00 0.00 178.44 177.48 1i5j n TYR 37 N -3.42 0.00 0.01 1.25 4.01 0.11 -4.33 117.16 114.80 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 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.88 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 0.83 0.00 0.31 -0.72 -0.58 0.35 -4.60 120.64 116.22 1i5j n GLU 38 Ca 0.10 0.00 0.18 0.00 -0.42 0.00 0.00 57.16 57.03 1i5j n GLU 38 Cb 0.46 -0.01 1.01 0.00 -0.57 0.00 0.00 31.44 32.33 1i5j n GLU 38 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1i5j h LYS 39 N 0.00 0.00 0.00 3.49 5.09 -0.61 -1.34 116.57 123.20 1i5j h LYS 39 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1i5j h LYS 39 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1i5j h LYS 39 CO 0.00 0.02 -1.19 2.41 -2.09 0.00 0.00 179.45 178.60 1i5j n THR 40 N -3.42 0.02 0.00 0.07 -1.04 0.68 -3.30 114.28 107.29 1i5j n THR 40 Ca -0.03 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1i5j n THR 40 Cb 0.12 0.67 0.00 0.00 -1.82 0.00 0.00 70.33 69.30 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 -1.71 0.00 -0.04 -1.42 4.19 -0.51 -4.66 117.16 113.01 1i5j n TYR 41 Ca 0.02 0.00 -0.03 0.00 3.31 0.00 0.00 57.90 61.20 1i5j n TYR 41 Cb 0.39 -0.15 -0.01 0.00 0.49 0.00 0.00 39.34 40.06 1i5j n TYR 41 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66 1i5j n LEU 42 N -0.95 0.89 -3.20 2.98 7.94 -1.21 -4.62 117.00 118.82 1i5j n LEU 42 Ca 0.00 0.26 -0.21 0.00 -1.11 0.00 0.00 56.01 54.95 1i5j n LEU 42 Cb 0.00 -0.64 -0.02 0.00 0.53 0.00 0.00 43.42 43.29 1i5j n LEU 42 CO 0.00 -0.43 2.07 -0.81 -1.11 0.00 0.00 177.39 177.11 1i5j n PRO 43 N -3.40 1.60 -0.17 1.96 -0.04 -1.26 -3.66 135.00 130.04 1i5j n PRO 43 Ca -0.05 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 1i5j n PRO 43 Cb 0.20 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 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 4.82 1.43 0.02 0.55 0.00 -1.21 -4.54 120.51 121.58 1i5j n ALA 44 Ca 0.37 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1i5j n ALA 44 Cb 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.08 0.07 -0.23 0.00 0.31 -1.24 -4.74 118.33 112.42 1i5j n VAL 45 Ca 0.01 0.02 -0.05 0.00 -0.01 0.00 0.00 64.34 64.31 1i5j n VAL 45 Cb 0.56 -0.81 0.10 0.00 -0.91 0.00 0.00 33.84 32.78 1i5j n VAL 45 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1i5j h ASP 46 N 0.00 0.99 0.51 4.52 1.82 -1.90 -2.90 116.42 119.47 1i5j h ASP 46 Ca 0.00 -0.18 -0.02 0.00 -0.39 0.00 0.00 57.03 56.44 1i5j h ASP 46 Cb 0.25 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.00 1i5j h ASP 46 CO 0.00 0.93 -0.26 -0.33 -1.61 0.00 0.00 179.24 177.97 1i5j h GLU 47 N 1.02 -0.68 -0.89 0.28 3.07 -1.88 1.09 114.58 116.59 1i5j h GLU 47 Ca 0.22 0.05 0.26 0.00 -0.50 0.00 0.00 59.36 59.39 1i5j h GLU 47 Cb 0.29 0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 28.32 1i5j h GLU 47 CO -0.01 -0.45 0.65 -0.22 -1.40 0.00 0.00 179.01 177.58 1i5j h LYS 48 N -0.70 0.00 0.00 2.33 3.64 -1.83 0.90 116.57 120.91 1i5j h LYS 48 Ca -0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1i5j h LYS 48 Cb 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1i5j h LYS 48 CO 0.11 0.00 -1.32 1.28 -2.27 0.00 0.00 179.45 177.24 1i5j n LEU 49 N -4.22 0.55 -0.92 5.20 4.77 -0.78 -4.01 117.00 117.60 1i5j n LEU 49 Ca 0.18 0.18 0.12 0.00 -0.03 0.00 0.00 56.01 56.47 1i5j n LEU 49 Cb 0.97 -0.05 0.16 0.00 -2.33 0.00 0.00 43.42 42.17 1i5j n LEU 49 CO 0.38 -0.10 0.67 0.54 -1.33 0.00 0.00 177.39 177.55 1i5j n ARG 50 N -2.45 2.26 0.01 3.23 5.12 0.37 -4.39 116.66 120.81 1i5j n ARG 50 Ca -0.01 -1.84 -0.12 0.00 -1.93 0.00 0.00 57.85 53.95 1i5j n ARG 50 Cb 0.54 -1.47 -0.09 0.00 -1.16 0.00 0.00 32.46 30.28 1i5j n ARG 50 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1i5j h ASP 51 N 4.39 -0.08 -1.20 0.55 5.19 0.33 -3.12 116.42 122.48 1i5j h ASP 51 Ca 0.00 -0.49 0.34 0.00 -0.62 0.00 0.00 57.03 56.27 1i5j h ASP 51 Cb 0.94 0.02 -0.06 0.00 0.18 0.00 0.00 39.33 40.41 1i5j h ASP 51 CO 0.00 0.48 0.85 0.17 -3.12 0.00 0.00 179.24 177.62 1i5j h LEU 52 N -0.68 0.07 0.63 1.55 -0.00 -1.80 0.42 115.31 115.50 1i5j h LEU 52 Ca -0.01 0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 57.86 1i5j h LEU 52 Cb 0.56 0.01 0.01 0.00 -0.00 0.00 0.00 40.66 41.23 1i5j h LEU 52 CO 0.02 0.01 -0.30 0.22 -0.00 0.00 0.00 178.44 178.38 1i5j h TYR 53 N 0.06 -0.78 -0.33 0.17 3.20 -1.80 -1.16 116.97 116.33 1i5j h TYR 53 Ca 0.59 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.44 1i5j h TYR 53 Cb 2.23 0.26 0.00 0.00 1.54 0.00 0.00 36.73 40.75 1i5j h TYR 53 CO -0.00 -0.44 0.00 0.45 -1.64 0.00 0.00 178.16 176.53 1i5j n SER 54 N -5.39 3.16 -0.03 -2.11 2.88 -0.10 -3.12 113.62 108.91 1i5j n SER 54 Ca -0.12 -2.36 -0.03 0.00 -1.33 0.00 0.00 58.87 55.03 1i5j n SER 54 Cb 0.36 -0.51 -0.04 0.00 -0.75 0.00 0.00 64.21 63.27 1i5j n SER 54 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1i5j n LYS 55 N 0.42 2.98 -0.20 -1.46 3.00 0.13 -3.36 118.16 119.67 1i5j n LYS 55 Ca 0.14 -0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.51 1i5j n LYS 55 Cb 0.64 -1.14 0.18 0.00 0.00 0.00 0.00 35.03 34.71 1i5j n LYS 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1i5j n SER 56 N -2.19 3.07 0.00 3.14 3.41 -0.45 -3.63 113.62 116.97 1i5j n SER 56 Ca -0.09 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 1i5j n SER 56 Cb 0.66 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1i5j n SER 56 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1i5j n THR 57 N 0.65 0.00 0.00 6.66 -2.24 -1.18 -4.75 114.28 113.42 1i5j n THR 57 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1i5j n THR 57 Cb 0.46 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 -0.82 2.45 0.36 6.98 0.00 -1.26 -3.95 120.51 124.27 1i5j n ALA 58 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1i5j n ALA 58 Cb 0.05 0.46 0.40 0.00 0.00 0.00 0.00 19.45 20.37 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 -2.67 1.52 -0.05 0.00 0.00 -1.21 -1.76 120.51 116.34 1i5j n ALA 59 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 53.44 53.43 1i5j n ALA 59 Cb 0.46 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.94 1.37 0.25 0.00 0.00 -1.24 -4.35 117.12 111.21 1i5j n MET 60 Ca 0.02 0.03 0.13 0.00 0.00 0.00 0.00 57.70 57.88 1i5j n MET 60 Cb 0.16 -1.21 0.63 0.00 0.00 0.00 0.00 33.22 32.80 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 0.43 3.17 0.87 -1.66 -1.76 113.55 114.60 1i5j h SER 61 Ca -0.23 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.02 1i5j h SER 61 Cb 1.44 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.42 1i5j h SER 61 CO -0.01 0.14 -1.34 0.74 -0.53 0.00 0.00 176.83 175.82 1i5j h THR 62 N 0.00 1.39 -0.02 2.23 2.02 -1.58 -3.30 112.91 113.65 1i5j h THR 62 Ca -0.00 -2.85 -0.16 0.00 0.77 0.00 0.00 66.41 64.17 1i5j h THR 62 Cb 0.53 2.96 -0.02 0.00 -1.74 0.00 0.00 68.15 69.89 1i5j h THR 62 CO 0.02 0.84 -0.71 0.22 0.37 0.00 0.00 175.52 176.26 1i5j h TYR 63 N 0.12 0.15 -0.38 3.16 5.03 -1.70 -2.94 116.97 120.41 1i5j h TYR 63 Ca -0.19 -0.07 0.11 0.00 2.58 0.00 0.00 58.73 61.16 1i5j h TYR 63 Cb 2.05 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 40.29 1i5j h TYR 63 CO 0.10 0.78 0.42 1.79 -1.32 0.00 0.00 178.16 179.93 1i5j h THR 64 N 0.07 0.38 0.00 1.81 1.35 -1.40 1.05 112.91 116.17 1i5j h THR 64 Ca -0.02 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.73 1i5j h THR 64 Cb 1.26 0.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.33 1i5j h THR 64 CO 0.10 0.00 -1.17 1.23 -0.25 0.00 0.00 175.52 175.43 1i5j h GLY 65 N 0.00 0.00 0.72 5.82 0.00 -1.65 -3.33 103.07 104.63 1i5j h GLY 65 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1i5j h GLY 65 CO -0.00 0.00 -0.84 1.39 0.00 0.00 0.00 176.54 177.09 1i5j n ILE 66 N -2.88 0.14 -0.07 2.60 2.08 0.27 -4.19 119.36 117.30 1i5j n ILE 66 Ca -0.06 -0.16 -0.10 0.00 0.56 0.00 0.00 62.75 62.99 1i5j n ILE 66 Cb 0.75 0.25 -0.03 0.00 -0.75 0.00 0.00 39.64 39.85 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 0.36 -0.35 1.39 3.04 0.61 -2.23 116.94 119.77 1i5j h PHE 67 Ca 0.00 -0.02 0.10 0.00 3.98 0.00 0.00 57.97 62.03 1i5j h PHE 67 Cb 0.65 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.04 1i5j h PHE 67 CO 0.00 0.36 0.41 1.15 -2.02 0.00 0.00 178.31 178.21 1i5j h THR 68 N 0.27 0.34 -0.32 4.41 2.02 -1.75 0.30 112.91 118.18 1i5j h THR 68 Ca 0.08 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.36 1i5j h THR 68 Cb 0.13 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1i5j h THR 68 CO -0.01 0.00 0.27 -0.78 0.37 0.00 0.00 175.52 175.37 1i5j h ASP 69 N 0.00 0.00 -0.60 4.18 3.58 -1.63 0.32 116.42 122.26 1i5j h ASP 69 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1i5j h ASP 69 Cb 0.99 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.04 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 -4.11 3.33 -0.01 0.28 1.13 0.09 -3.96 117.38 114.14 1i5j n GLN 70 Ca 0.05 -2.72 -0.01 0.00 -1.94 0.00 0.00 57.00 52.38 1i5j n GLN 70 Cb 0.43 -1.73 -0.00 0.00 0.11 0.00 0.00 30.24 29.05 1i5j n GLN 70 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1i5j n VAL 71 N 1.07 0.15 0.24 5.09 0.31 0.11 -4.10 118.33 121.20 1i5j n VAL 71 Ca 0.23 0.44 0.08 0.00 -0.01 0.00 0.00 64.34 65.08 1i5j n VAL 71 Cb 0.76 -1.56 0.58 0.00 -0.91 0.00 0.00 33.84 32.71 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 -0.10 0.00 -0.37 7.52 -0.00 -1.78 0.89 115.31 121.47 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 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 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 0.36 0.00 0.17 2.88 -1.25 -0.79 113.62 110.82 1i5j n SER 73 Ca -0.02 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1i5j n SER 73 Cb 0.22 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 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 -1.90 0.00 -0.03 2.46 0.31 0.18 -3.27 118.33 116.08 1i5j n VAL 74 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1i5j n VAL 74 Cb 0.20 0.24 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 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 -1.27 0.06 -0.01 7.52 -0.00 0.28 -4.76 117.00 118.82 1i5j n LEU 75 Ca 0.00 -0.34 0.09 0.00 -0.00 0.00 0.00 56.01 55.75 1i5j n LEU 75 Cb 0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.34 1i5j n LEU 75 CO 0.00 0.01 -0.49 0.29 -0.00 0.00 0.00 177.39 177.21 1i5j n LYS 76 N -0.57 0.75 0.00 1.47 5.02 0.03 -4.96 118.16 119.89 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 0.01 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.45 0.91 2.93 0.72 0.00 -0.76 -4.84 105.19 105.59 1i5j n GLY 77 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.91 -0.78 1.61 2.13 -0.78 -4.95 120.64 115.95 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 -5.05 0.00 0.00 0.27 0.00 0.00 31.44 26.66 1i5j n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81