#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 -0.10 0.20 4.78 -0.00 -1.26 -4.76 117.46 116.32 1i5j n PHE 14 Ca 0.00 0.02 0.04 0.00 -0.00 0.00 0.00 57.45 57.50 1i5j n PHE 14 Cb 0.00 0.02 0.40 0.00 -0.00 0.00 0.00 39.48 39.91 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 0.00 -2.58 -2.13 3.38 -2.07 -2.49 115.31 109.42 1i5j h LEU 15 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i5j h LEU 15 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1i5j h LEU 15 CO 0.00 0.32 0.00 0.74 0.09 0.00 0.00 178.44 179.59 1i5j h THR 16 N 0.00 0.00 0.68 0.22 2.02 -2.00 -2.95 112.91 110.87 1i5j h THR 16 Ca -0.00 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1i5j h THR 16 Cb 0.58 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1i5j h THR 16 CO 0.04 0.00 -0.44 1.56 0.37 0.00 0.00 175.52 177.05 1i5j h GLN 17 N 0.00 -1.02 -0.76 6.66 1.08 -1.74 0.22 115.11 119.55 1i5j h GLN 17 Ca 0.00 0.07 0.12 0.00 -1.45 0.00 0.00 58.65 57.39 1i5j h GLN 17 Cb 0.03 0.23 -0.05 0.00 -0.05 0.00 0.00 27.48 27.64 1i5j h GLN 17 CO 0.00 -0.68 0.50 0.28 -0.95 0.00 0.00 178.83 177.98 1i5j h VAL 18 N -1.06 0.87 0.68 -0.54 2.07 -1.73 0.48 116.25 117.03 1i5j h VAL 18 Ca -0.09 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1i5j h VAL 18 Cb 0.86 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1i5j h VAL 18 CO 0.07 0.10 -0.33 0.11 0.02 0.00 0.00 177.57 177.55 1i5j h LYS 19 N 0.56 -0.88 -0.05 1.57 1.57 -1.48 -0.93 116.57 116.92 1i5j h LYS 19 Ca 0.36 0.06 0.01 0.00 -1.87 0.00 0.00 60.65 59.22 1i5j h LYS 19 Cb 0.64 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 1i5j h LYS 19 CO -0.13 -0.59 0.20 0.93 -0.57 0.00 0.00 179.45 179.29 1i5j h GLU 20 N -1.17 0.00 0.17 3.15 5.08 -0.18 0.28 114.58 121.91 1i5j h GLU 20 Ca -0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1i5j h GLU 20 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1i5j h GLU 20 CO 0.15 0.00 -0.08 1.03 -1.00 0.00 0.00 179.01 179.11 1i5j h SER 21 N 0.00 -0.19 0.17 1.42 0.87 -0.62 -0.69 113.55 114.51 1i5j h SER 21 Ca 0.02 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.38 1i5j h SER 21 Cb 0.41 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1i5j h SER 21 CO -0.00 0.34 -0.23 0.25 -0.53 0.00 0.00 176.83 176.66 1i5j h LEU 22 N -1.02 0.11 -0.24 2.23 5.85 -0.55 -2.54 115.31 119.14 1i5j h LEU 22 Ca -0.02 -0.03 -0.21 0.00 0.84 0.00 0.00 57.88 58.46 1i5j h LEU 22 Cb 0.33 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1i5j h LEU 22 CO 0.04 0.35 -0.87 -1.28 -0.34 0.00 0.00 178.44 176.34 1i5j h SER 23 N 0.11 0.55 -0.46 1.25 0.87 -0.56 -3.17 113.55 112.14 1i5j h SER 23 Ca 0.02 -0.41 -0.02 0.00 -1.23 0.00 0.00 61.79 60.15 1i5j h SER 23 Cb 0.47 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1i5j h SER 23 CO 0.03 1.19 0.21 0.28 -0.53 0.00 0.00 176.83 178.02 1i5j h SER 24 N 0.27 0.64 -0.96 6.23 0.02 -0.70 1.01 113.55 120.04 1i5j h SER 24 Ca -0.06 -0.07 0.13 0.00 -0.84 0.00 0.00 61.79 60.95 1i5j h SER 24 Cb 1.48 -0.16 -0.08 0.00 0.14 0.00 0.00 62.40 63.78 1i5j h SER 24 CO 0.15 0.57 0.61 0.22 -1.14 0.00 0.00 176.83 177.24 1i5j h TYR 25 N 0.71 1.03 0.00 3.45 5.03 -1.46 -0.55 116.97 125.17 1i5j h TYR 25 Ca 0.17 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.51 1i5j h TYR 25 Cb 0.12 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.07 1i5j h TYR 25 CO 0.01 0.39 -1.38 0.91 -1.32 0.00 0.00 178.16 176.77 1i5j n TRP 26 N -4.61 0.19 0.21 -3.82 7.02 -0.70 -4.19 117.44 111.54 1i5j n TRP 26 Ca 0.19 0.05 0.06 0.00 -1.02 0.00 0.00 57.50 56.78 1i5j n TRP 26 Cb 0.41 -0.43 0.45 0.00 -2.42 0.00 0.00 31.31 29.31 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 0.00 -0.27 -0.99 4.22 0.26 -2.64 114.58 115.16 1i5j h GLU 27 Ca 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.40 1i5j h GLU 27 Cb 0.81 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1i5j h GLU 27 CO 0.00 0.31 0.02 1.03 -2.18 0.00 0.00 179.01 178.18 1i5j h SER 28 N 0.00 0.46 -0.29 1.04 0.87 -1.56 0.40 113.55 114.48 1i5j h SER 28 Ca -0.00 -0.29 -0.05 0.00 -1.23 0.00 0.00 61.79 60.21 1i5j h SER 28 Cb 0.63 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1i5j h SER 28 CO 0.04 0.64 0.03 0.00 -0.53 0.00 0.00 176.83 177.00 1i5j h ALA 29 N 0.84 1.33 0.00 6.23 0.00 -1.76 -0.65 119.26 125.24 1i5j h ALA 29 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1i5j h ALA 29 Cb 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1i5j h ALA 29 CO 0.01 0.46 0.00 0.87 0.00 0.00 0.00 179.25 180.60 1i5j h LYS 30 N 0.57 0.00 -0.74 0.00 1.79 -1.10 -3.19 116.57 113.90 1i5j h LYS 30 Ca 0.12 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.56 1i5j h LYS 30 Cb 0.33 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.94 1i5j h LYS 30 CO 0.01 0.00 0.33 1.15 -1.08 0.00 0.00 179.45 179.86 1i5j h THR 31 N 0.00 1.25 -0.00 -0.16 2.02 0.14 -1.27 112.91 114.89 1i5j h THR 31 Ca 0.00 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1i5j h THR 31 Cb 0.78 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1i5j h THR 31 CO 0.00 0.30 0.10 0.00 0.37 0.00 0.00 175.52 176.30 1i5j h ALA 32 N 1.16 1.11 0.00 6.16 0.00 -1.53 0.27 119.26 126.44 1i5j h ALA 32 Ca 0.25 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.92 1i5j h ALA 32 Cb 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1i5j h ALA 32 CO -0.03 -0.11 -1.34 0.00 0.00 0.00 0.00 179.25 177.77 1i5j h ALA 33 N 1.79 0.59 0.00 0.00 0.00 -1.41 -3.26 119.26 116.98 1i5j h ALA 33 Ca 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 54.91 53.71 1i5j h ALA 33 Cb 0.21 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1i5j h ALA 33 CO -0.00 1.36 -0.23 0.37 0.00 0.00 0.00 179.25 180.76 1i5j h GLN 34 N 0.00 0.00 0.02 0.00 -0.00 -0.16 0.79 115.11 115.76 1i5j h GLN 34 Ca -0.15 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.42 1i5j h GLN 34 Cb 1.86 0.00 0.01 0.00 0.00 0.00 0.00 27.48 29.34 1i5j h GLN 34 CO 0.10 0.23 -0.31 -0.97 0.00 0.00 0.00 178.83 177.87 1i5j h ASN 35 N 0.00 0.24 0.74 -0.69 -0.73 -1.57 0.19 115.58 113.76 1i5j h ASN 35 Ca -0.00 -0.83 -0.17 0.00 1.87 0.00 0.00 56.30 57.16 1i5j h ASN 35 Cb 0.48 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.97 1i5j h ASN 35 CO 0.03 1.05 -0.81 0.25 -0.37 0.00 0.00 177.43 177.58 1i5j h LEU 36 N -0.53 0.06 -0.06 0.34 6.46 -1.57 -3.40 115.31 116.61 1i5j h LEU 36 Ca -0.04 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1i5j h LEU 36 Cb 1.11 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 1i5j h LEU 36 CO 0.06 0.84 0.00 -1.22 -0.62 0.00 0.00 178.44 177.50 1i5j n TYR 37 N -3.61 0.00 -2.20 1.25 4.02 0.19 -5.01 117.16 111.79 1i5j n TYR 37 Ca -0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.80 1i5j n TYR 37 Cb 0.77 0.02 -0.00 0.00 -0.02 0.00 0.00 39.34 40.11 1i5j n TYR 37 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1i5j n GLU 38 N 0.00 -0.78 -1.54 -0.72 2.13 0.66 -2.97 120.64 117.43 1i5j n GLU 38 Ca 0.00 0.35 -0.13 0.00 0.66 0.00 0.00 57.16 58.04 1i5j n GLU 38 Cb 0.27 -4.22 -0.05 0.00 0.27 0.00 0.00 31.44 27.72 1i5j n GLU 38 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1i5j n LYS 39 N -1.74 -1.42 -0.06 5.31 4.76 -0.93 -4.74 118.16 119.33 1i5j n LYS 39 Ca -0.08 0.75 -0.07 0.00 -2.87 0.00 0.00 58.31 56.04 1i5j n LYS 39 Cb 0.56 -5.05 -0.02 0.00 -1.84 0.00 0.00 35.03 28.68 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 -2.10 1.25 0.30 -0.18 -1.04 -1.16 -4.23 114.28 107.12 1i5j n THR 40 Ca -0.13 0.21 0.18 0.00 -2.04 0.00 0.00 64.05 62.27 1i5j n THR 40 Cb 0.46 -2.15 0.93 0.00 -1.82 0.00 0.00 70.33 67.75 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 -0.76 0.00 0.20 -1.42 3.20 -1.87 -2.87 116.97 113.44 1i5j h TYR 41 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1i5j h TYR 41 Cb 0.76 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.04 1i5j h TYR 41 CO -0.33 0.00 -0.09 1.25 -1.64 0.00 0.00 178.16 177.35 1i5j h LEU 42 N 0.00 -0.22 0.00 2.82 6.46 -1.89 -3.37 115.31 119.11 1i5j h LEU 42 Ca 0.03 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1i5j h LEU 42 Cb 0.48 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1i5j h LEU 42 CO -0.00 0.12 0.00 -2.65 -0.62 0.00 0.00 178.44 175.29 1i5j n PRO 43 N -4.24 0.00 0.00 5.25 -0.02 -1.08 -4.64 135.00 130.26 1i5j n PRO 43 Ca -0.03 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1i5j n PRO 43 Cb 0.10 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 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 -2.44 0.00 -0.01 3.55 0.00 -1.25 -4.99 120.51 115.37 1i5j n ALA 44 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1i5j n ALA 44 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.19 0.19 0.00 0.31 -1.26 -4.10 118.33 113.66 1i5j n VAL 45 Ca 0.00 0.39 0.07 0.00 -0.01 0.00 0.00 64.34 64.79 1i5j n VAL 45 Cb 0.00 -1.53 0.26 0.00 -0.91 0.00 0.00 33.84 31.66 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 -0.11 0.00 0.03 4.52 3.58 -1.94 -2.98 116.42 119.52 1i5j h ASP 46 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1i5j h ASP 46 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1i5j h ASP 46 CO 0.00 0.33 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.34 1i5j h GLU 47 N 0.00 -0.04 -0.68 0.28 5.08 -1.84 -0.46 114.58 116.92 1i5j h GLU 47 Ca -0.00 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 1i5j h GLU 47 Cb 1.03 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1i5j h GLU 47 CO 0.04 0.63 0.46 -0.22 -1.00 0.00 0.00 179.01 178.91 1i5j h LYS 48 N -0.93 0.38 0.00 2.33 3.64 -1.71 0.36 116.57 120.64 1i5j h LYS 48 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1i5j h LYS 48 Cb 0.68 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1i5j h LYS 48 CO 0.01 0.25 -0.55 1.37 -2.27 0.00 0.00 179.45 178.26 1i5j h LEU 49 N 0.40 0.00 -6.17 5.20 8.10 -1.59 -3.43 115.31 117.82 1i5j h LEU 49 Ca 0.32 -0.10 -0.20 0.00 0.11 0.00 0.00 57.88 58.02 1i5j h LEU 49 Cb 0.72 0.00 -0.25 0.00 -0.44 0.00 0.00 40.66 40.69 1i5j h LEU 49 CO -0.09 0.05 -0.55 -0.60 -4.11 0.00 0.00 178.44 173.13 1i5j s ARG 50 N -3.22 0.69 0.29 0.17 3.52 0.11 -5.00 118.95 115.52 1i5j s ARG 50 Ca 0.05 -0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.22 1i5j s ARG 50 Cb 0.11 -0.27 0.00 0.00 -1.56 0.00 0.00 34.95 33.23 1i5j s ARG 50 CO 0.72 -1.17 0.00 -0.25 -0.81 0.00 0.00 175.30 173.78 1i5j n ASP 51 N 4.48 -1.23 -0.28 -2.12 9.92 -0.50 -4.21 116.55 122.61 1i5j n ASP 51 Ca 0.10 0.52 0.33 0.00 -0.53 0.00 0.00 54.79 55.21 1i5j n ASP 51 Cb 0.51 1.31 0.74 0.00 -0.64 0.00 0.00 41.12 43.03 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 0.01 0.00 0.64 8.10 -1.92 0.83 115.31 122.98 1i5j h LEU 52 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.90 1i5j h LEU 52 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 1i5j h LEU 52 CO 0.00 0.00 -0.71 0.22 -4.11 0.00 0.00 178.44 173.84 1i5j h TYR 53 N 0.01 0.00 -0.52 0.17 5.03 -1.95 -2.88 116.97 116.84 1i5j h TYR 53 Ca 0.53 0.00 -0.28 0.00 2.58 0.00 0.00 58.73 61.56 1i5j h TYR 53 Cb 2.09 0.00 -0.16 0.00 1.55 0.00 0.00 36.73 40.21 1i5j h TYR 53 CO -0.00 0.70 0.35 0.45 -1.32 0.00 0.00 178.16 178.34 1i5j n SER 54 N -4.56 3.61 0.00 -2.11 2.88 -0.80 -3.23 113.62 109.41 1i5j n SER 54 Ca -0.17 -2.85 0.00 0.00 -1.33 0.00 0.00 58.87 54.52 1i5j n SER 54 Cb 0.43 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 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 -0.31 0.00 0.00 -1.46 4.81 0.28 -4.23 118.16 117.25 1i5j n LYS 55 Ca 0.31 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.89 1i5j n LYS 55 Cb 1.08 -0.08 0.53 0.00 0.02 0.00 0.00 35.03 36.57 1i5j n LYS 55 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1i5j n SER 56 N -2.11 0.21 -0.02 3.14 2.88 -1.09 -1.28 113.62 115.36 1i5j n SER 56 Ca 0.00 0.09 -0.02 0.00 -1.33 0.00 0.00 58.87 57.61 1i5j n SER 56 Cb 0.00 -0.22 -0.02 0.00 -0.75 0.00 0.00 64.21 63.22 1i5j n SER 56 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1i5j n THR 57 N -1.40 0.20 -0.09 2.46 -1.04 -1.20 -4.58 114.28 108.64 1i5j n THR 57 Ca 0.08 -0.11 -0.17 0.00 -2.04 0.00 0.00 64.05 61.82 1i5j n THR 57 Cb 0.32 -0.81 -0.06 0.00 -1.82 0.00 0.00 70.33 67.97 1i5j n THR 57 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i5j n ALA 58 N -2.30 1.46 0.30 2.41 0.00 -1.25 -4.12 120.51 117.02 1i5j n ALA 58 Ca -0.05 -0.78 0.04 0.00 0.00 0.00 0.00 53.44 52.64 1i5j n ALA 58 Cb 0.58 0.15 0.18 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 -4.11 1.42 -0.09 0.00 0.00 -0.90 0.63 120.51 117.46 1i5j n ALA 59 Ca -0.29 -0.03 -0.18 0.00 0.00 0.00 0.00 53.44 52.94 1i5j n ALA 59 Cb 0.64 -1.13 -0.10 0.00 0.00 0.00 0.00 19.45 18.85 1i5j n ALA 59 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1i5j h MET 60 N 0.00 0.00 0.00 0.00 2.86 -1.41 -3.22 114.93 113.16 1i5j h MET 60 Ca 0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1i5j h MET 60 Cb 0.12 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1i5j h MET 60 CO 0.00 0.86 -0.97 0.66 1.06 0.00 0.00 176.91 178.52 1i5j h SER 61 N -1.00 0.00 0.63 1.22 4.64 -1.67 -3.30 113.55 114.07 1i5j h SER 61 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1i5j h SER 61 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1i5j h SER 61 CO -0.14 0.39 -0.25 0.41 -0.87 0.00 0.00 176.83 176.37 1i5j n THR 62 N -2.95 0.00 0.10 2.95 -1.04 0.21 -3.72 114.28 109.83 1i5j n THR 62 Ca -0.03 -0.02 -0.03 0.00 -2.04 0.00 0.00 64.05 61.93 1i5j n THR 62 Cb 0.73 -0.06 0.17 0.00 -1.82 0.00 0.00 70.33 69.34 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 0.16 0.21 -0.08 -1.42 3.20 -1.63 -2.61 116.97 114.80 1i5j h TYR 63 Ca 0.00 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 61.82 1i5j h TYR 63 Cb 0.47 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 1i5j h TYR 63 CO 0.00 0.69 0.21 1.15 -1.64 0.00 0.00 178.16 178.56 1i5j h THR 64 N 0.13 0.17 0.00 1.81 2.02 -1.77 0.53 112.91 115.81 1i5j h THR 64 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1i5j h THR 64 Cb 1.02 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1i5j h THR 64 CO 0.08 0.00 -1.49 0.61 0.37 0.00 0.00 175.52 175.09 1i5j n GLY 65 N -1.26 -1.20 0.05 2.16 0.00 -0.99 -4.07 105.19 99.88 1i5j n GLY 65 Ca -0.01 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.36 0.26 0.25 -0.61 2.08 0.15 -3.28 119.36 115.85 1i5j n ILE 66 Ca -0.02 -0.25 -0.10 0.00 0.56 0.00 0.00 62.75 62.94 1i5j n ILE 66 Cb 0.54 0.03 -0.05 0.00 -0.75 0.00 0.00 39.64 39.41 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 -0.62 0.00 1.39 3.57 -0.75 -3.26 116.94 117.27 1i5j h PHE 67 Ca 0.00 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1i5j h PHE 67 Cb 0.73 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1i5j h PHE 67 CO 0.00 -0.38 -0.32 1.15 -2.23 0.00 0.00 178.31 176.53 1i5j h THR 68 N -0.87 0.75 -0.27 4.41 2.02 -1.76 -3.07 112.91 114.12 1i5j h THR 68 Ca -0.07 -1.37 0.08 0.00 0.77 0.00 0.00 66.41 65.82 1i5j h THR 68 Cb 0.51 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 1i5j h THR 68 CO 0.11 0.31 0.34 0.44 0.37 0.00 0.00 175.52 177.09 1i5j h ASP 69 N 0.00 0.00 -0.63 4.18 5.19 -1.59 0.60 116.42 124.16 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 0.85 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.36 1i5j h ASP 69 CO 0.04 0.00 0.00 1.67 -3.12 0.00 0.00 179.24 177.83 1i5j n GLN 70 N -3.61 2.71 -0.08 3.56 7.27 -1.16 -3.09 117.38 122.96 1i5j n GLN 70 Ca 0.04 -2.37 -0.12 0.00 0.07 0.00 0.00 57.00 54.61 1i5j n GLN 70 Cb 0.47 -1.58 -0.08 0.00 2.41 0.00 0.00 30.24 31.47 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 1.30 0.96 0.11 1.69 0.31 0.21 -4.24 118.33 118.67 1i5j n VAL 71 Ca 0.22 -0.36 0.11 0.00 -0.01 0.00 0.00 64.34 64.30 1i5j n VAL 71 Cb 0.60 -1.13 -0.05 0.00 -0.91 0.00 0.00 33.84 32.35 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 -3.03 0.54 0.20 7.52 -0.00 -1.08 -1.18 117.00 119.98 1i5j n LEU 72 Ca -0.30 0.19 0.13 0.00 -0.00 0.00 0.00 56.01 56.03 1i5j n LEU 72 Cb 0.81 -0.04 0.33 0.00 -0.00 0.00 0.00 43.42 44.52 1i5j n LEU 72 CO 0.16 -0.10 0.86 -1.28 -0.00 0.00 0.00 177.39 177.03 1i5j h SER 73 N 0.00 0.00 0.00 1.45 0.87 -1.78 0.20 113.55 114.29 1i5j h SER 73 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1i5j h SER 73 Cb 0.97 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1i5j h SER 73 CO 0.00 0.00 -0.73 0.52 -0.53 0.00 0.00 176.83 176.09 1i5j n VAL 74 N -2.88 0.00 0.11 2.23 0.31 -1.25 -1.85 118.33 115.00 1i5j n VAL 74 Ca 0.04 -0.07 0.02 0.00 -0.01 0.00 0.00 64.34 64.32 1i5j n VAL 74 Cb 0.45 0.52 -0.03 0.00 -0.91 0.00 0.00 33.84 33.87 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 -1.23 0.11 -0.00 7.52 4.77 -0.32 -4.64 117.00 123.20 1i5j n LEU 75 Ca 0.00 -0.24 0.07 0.00 -0.03 0.00 0.00 56.01 55.81 1i5j n LEU 75 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1i5j n LEU 75 CO 0.00 0.03 -0.13 0.29 -1.33 0.00 0.00 177.39 176.24 1i5j n LYS 76 N -1.41 2.05 0.00 3.23 4.76 -0.68 -4.96 118.16 121.15 1i5j n LYS 76 Ca -0.00 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1i5j n LYS 76 Cb 0.11 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 1i5j n LYS 76 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i5j n GLY 77 N 1.39 0.92 2.85 0.72 0.00 -1.06 -4.75 105.19 105.26 1i5j n GLY 77 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.71 0.00 1.61 2.13 -0.77 -4.97 120.64 115.94 1i5j n GLU 78 Ca 0.00 0.67 0.11 0.00 0.66 0.00 0.00 57.16 58.59 1i5j n GLU 78 Cb 0.00 -4.91 0.09 0.00 0.27 0.00 0.00 31.44 26.89 1i5j n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81