#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5j h PHE 14 N 0.00 0.39 0.38 -1.42 3.57 -2.07 -3.26 116.94 114.53 1i5j h PHE 14 Ca 0.00 -0.29 -0.02 0.00 3.53 0.00 0.00 57.97 61.20 1i5j h PHE 14 Cb 0.00 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1i5j h PHE 14 CO 0.00 1.24 -0.18 -0.07 -2.23 0.00 0.00 178.31 177.07 1i5j h LEU 15 N 0.06 -0.43 -2.02 0.59 3.38 -2.05 -3.11 115.31 111.73 1i5j h LEU 15 Ca -0.14 -0.14 0.12 0.00 0.09 0.00 0.00 57.88 57.82 1i5j h LEU 15 Cb 1.95 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.79 1i5j h LEU 15 CO 0.18 -0.02 0.41 0.00 0.09 0.00 0.00 178.44 179.10 1i5j h THR 16 N -0.93 0.45 0.00 0.22 1.03 -1.98 0.42 112.91 112.12 1i5j h THR 16 Ca -0.05 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.34 1i5j h THR 16 Cb 0.54 0.68 -0.00 0.00 -1.07 0.00 0.00 68.15 68.30 1i5j h THR 16 CO 0.09 0.00 -0.02 -0.61 -0.01 0.00 0.00 175.52 174.97 1i5j h GLN 17 N 0.00 0.00 0.00 0.00 4.15 -1.58 -2.01 115.11 115.67 1i5j h GLN 17 Ca 0.20 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.36 1i5j h GLN 17 Cb 1.01 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.65 1i5j h GLN 17 CO -0.00 0.02 -1.98 0.28 -1.93 0.00 0.00 178.83 175.22 1i5j n VAL 18 N -3.12 0.98 0.24 2.39 0.31 0.12 -4.08 118.33 115.16 1i5j n VAL 18 Ca 0.00 -0.49 -0.10 0.00 -0.01 0.00 0.00 64.34 63.75 1i5j n VAL 18 Cb 0.30 -0.88 -0.05 0.00 -0.91 0.00 0.00 33.84 32.31 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 -0.61 -0.01 5.55 1.79 -0.83 0.57 116.57 123.04 1i5j h LYS 19 Ca -0.38 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 1i5j h LYS 19 Cb 1.73 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 32.52 1i5j h LYS 19 CO -0.02 -0.41 0.08 0.93 -1.08 0.00 0.00 179.45 178.95 1i5j h GLU 20 N -0.86 0.00 0.14 3.15 4.39 -1.60 0.19 114.58 119.98 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 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1i5j h GLU 20 CO 0.11 0.00 -0.07 1.03 -1.16 0.00 0.00 179.01 178.92 1i5j h SER 21 N 0.00 -0.16 -0.28 1.42 0.87 -1.66 -0.82 113.55 112.92 1i5j h SER 21 Ca 0.00 -0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.38 1i5j h SER 21 Cb 0.16 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1i5j h SER 21 CO -0.00 0.38 0.05 -0.07 -0.53 0.00 0.00 176.83 176.66 1i5j h LEU 22 N -1.02 0.51 -0.39 2.23 3.38 -0.41 -2.06 115.31 117.54 1i5j h LEU 22 Ca -0.02 -0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.70 1i5j h LEU 22 Cb 0.29 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1i5j h LEU 22 CO 0.03 0.54 -0.43 -1.28 0.09 0.00 0.00 178.44 177.39 1i5j h SER 23 N 0.53 0.96 -0.53 -0.43 0.87 -0.76 -2.97 113.55 111.22 1i5j h SER 23 Ca 0.12 -0.46 -0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1i5j h SER 23 Cb 0.27 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1i5j h SER 23 CO 0.00 1.25 0.33 0.28 -0.53 0.00 0.00 176.83 178.16 1i5j h SER 24 N 0.71 0.64 -0.85 6.23 0.02 -0.55 1.18 113.55 120.93 1i5j h SER 24 Ca 0.05 -0.03 0.16 0.00 -0.84 0.00 0.00 61.79 61.12 1i5j h SER 24 Cb 1.03 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 63.34 1i5j h SER 24 CO 0.10 0.49 0.56 0.22 -1.14 0.00 0.00 176.83 177.06 1i5j h TYR 25 N 0.74 0.68 0.00 3.45 3.20 -1.22 -1.19 116.97 122.63 1i5j h TYR 25 Ca 0.20 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1i5j h TYR 25 Cb -0.04 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.02 1i5j h TYR 25 CO 0.00 0.24 -1.46 0.91 -1.64 0.00 0.00 178.16 176.21 1i5j n TRP 26 N -4.53 0.00 -0.21 -3.82 8.01 -0.57 -4.43 117.44 111.88 1i5j n TRP 26 Ca 0.17 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.28 1i5j n TRP 26 Cb 0.53 -0.27 0.02 0.00 -2.01 0.00 0.00 31.31 29.59 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 0.95 -0.49 -0.99 4.81 0.26 -2.22 114.58 116.90 1i5j h GLU 27 Ca 0.00 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 58.95 1i5j h GLU 27 Cb 0.67 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1i5j h GLU 27 CO 0.00 0.89 0.12 1.03 -0.73 0.00 0.00 179.01 180.32 1i5j h SER 28 N 0.86 0.69 -0.48 1.04 0.87 -1.60 0.79 113.55 115.71 1i5j h SER 28 Ca 0.18 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 1i5j h SER 28 Cb 0.38 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 1i5j h SER 28 CO 0.01 0.68 0.23 0.00 -0.53 0.00 0.00 176.83 177.21 1i5j h ALA 29 N 1.42 1.43 0.00 6.23 0.00 -1.67 0.27 119.26 126.94 1i5j h ALA 29 Ca 0.16 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 1i5j h ALA 29 Cb 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1i5j h ALA 29 CO -0.00 0.44 -0.95 0.87 0.00 0.00 0.00 179.25 179.61 1i5j h LYS 30 N 0.73 0.00 -0.09 0.00 6.56 -0.63 -3.28 116.57 119.86 1i5j h LYS 30 Ca 0.18 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.73 1i5j h LYS 30 Cb 0.11 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.77 1i5j h LYS 30 CO -0.02 0.81 -0.09 1.15 -2.06 0.00 0.00 179.45 179.24 1i5j h THR 31 N 0.00 1.36 -0.09 -0.16 2.02 0.17 -2.50 112.91 113.71 1i5j h THR 31 Ca -0.04 -1.24 0.03 0.00 0.77 0.00 0.00 66.41 65.93 1i5j h THR 31 Cb 1.69 1.98 -0.00 0.00 -1.74 0.00 0.00 68.15 70.07 1i5j h THR 31 CO 0.11 0.35 0.19 0.00 0.37 0.00 0.00 175.52 176.54 1i5j h ALA 32 N 0.58 1.49 0.00 6.16 0.00 -0.61 0.39 119.26 127.26 1i5j h ALA 32 Ca 0.02 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1i5j h ALA 32 Cb 0.61 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1i5j h ALA 32 CO 0.02 -0.24 -1.03 0.00 0.00 0.00 0.00 179.25 178.01 1i5j h ALA 33 N 1.71 0.52 0.00 0.00 0.00 -1.55 -3.03 119.26 116.92 1i5j h ALA 33 Ca 0.04 -0.88 -0.09 0.00 0.00 0.00 0.00 54.91 53.99 1i5j h ALA 33 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1i5j h ALA 33 CO -0.00 1.12 -0.41 0.37 0.00 0.00 0.00 179.25 180.33 1i5j h GLN 34 N 0.00 0.00 0.05 0.00 -0.00 0.20 0.57 115.11 115.93 1i5j h GLN 34 Ca -0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.52 1i5j h GLN 34 Cb 1.69 0.00 0.01 0.00 0.00 0.00 0.00 27.48 29.18 1i5j h GLN 34 CO 0.10 0.41 -0.30 -0.97 0.00 0.00 0.00 178.83 178.06 1i5j h ASN 35 N 0.00 0.18 1.18 -0.69 -0.00 -1.53 0.58 115.58 115.29 1i5j h ASN 35 Ca -0.00 -0.97 -0.13 0.00 -0.00 0.00 0.00 56.30 55.20 1i5j h ASN 35 Cb 0.74 -0.06 -0.02 0.00 -0.00 0.00 0.00 38.32 38.98 1i5j h ASN 35 CO 0.05 1.13 -0.63 0.25 -0.00 0.00 0.00 177.43 178.24 1i5j h LEU 36 N -0.74 0.00 -0.25 0.34 5.85 -1.50 -3.40 115.31 115.61 1i5j h LEU 36 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1i5j h LEU 36 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1i5j h LEU 36 CO 0.06 0.63 0.00 -1.22 -0.34 0.00 0.00 178.44 177.56 1i5j n TYR 37 N -3.35 0.00 -2.40 1.25 4.02 0.17 -5.01 117.16 111.84 1i5j n TYR 37 Ca 0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 1i5j n TYR 37 Cb 0.74 0.04 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 -1.70 -1.42 -0.72 2.13 0.50 -2.00 120.64 117.42 1i5j n GLU 38 Ca 0.00 0.67 -0.15 0.00 0.66 0.00 0.00 57.16 58.34 1i5j n GLU 38 Cb 0.37 -4.95 -0.06 0.00 0.27 0.00 0.00 31.44 27.06 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 -2.52 -1.56 0.09 5.31 5.02 -0.30 -4.73 118.16 119.47 1i5j n LYS 39 Ca -0.15 1.00 0.13 0.00 -2.02 0.00 0.00 58.31 57.27 1i5j n LYS 39 Cb 0.62 -5.36 0.33 0.00 -0.02 0.00 0.00 35.03 30.59 1i5j n LYS 39 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1i5j n THR 40 N -2.20 0.53 -0.19 -0.18 -1.04 -0.85 -1.58 114.28 108.77 1i5j n THR 40 Ca -0.15 -0.29 -0.02 0.00 -2.04 0.00 0.00 64.05 61.56 1i5j n THR 40 Cb 0.60 -0.44 0.20 0.00 -1.82 0.00 0.00 70.33 68.88 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 0.95 0.00 -1.42 5.03 -1.87 -3.42 116.97 116.23 1i5j h TYR 41 Ca 0.00 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.28 1i5j h TYR 41 Cb 0.74 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.72 1i5j h TYR 41 CO 0.00 0.68 0.00 1.28 -1.32 0.00 0.00 178.16 178.80 1i5j n LEU 42 N -4.34 -3.02 -2.02 2.82 4.77 -1.25 -4.96 117.00 109.00 1i5j n LEU 42 Ca 0.06 0.74 -0.01 0.00 -0.03 0.00 0.00 56.01 56.77 1i5j n LEU 42 Cb 0.13 2.89 -0.02 0.00 -2.33 0.00 0.00 43.42 44.08 1i5j n LEU 42 CO 0.38 0.00 0.52 -0.81 -1.33 0.00 0.00 177.39 176.15 1i5j n PRO 43 N -3.37 0.44 0.00 3.23 -0.04 -1.18 -2.39 135.00 131.69 1i5j n PRO 43 Ca 0.00 -0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1i5j n PRO 43 Cb 0.00 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 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 2.20 0.00 0.01 0.55 0.00 -0.62 -4.77 120.51 117.89 1i5j n ALA 44 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.49 1i5j n ALA 44 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 0.26 0.12 0.00 0.31 -1.00 -4.50 118.33 113.51 1i5j n VAL 45 Ca 0.00 0.09 -0.21 0.00 -0.01 0.00 0.00 64.34 64.22 1i5j n VAL 45 Cb 0.00 -1.14 -0.14 0.00 -0.91 0.00 0.00 33.84 31.66 1i5j n VAL 45 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1i5j h ASP 46 N -0.00 0.71 0.01 4.52 2.03 -1.92 -2.95 116.42 118.81 1i5j h ASP 46 Ca 0.00 -0.72 -0.05 0.00 -0.73 0.00 0.00 57.03 55.53 1i5j h ASP 46 Cb 0.00 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 38.28 1i5j h ASP 46 CO 0.00 1.55 -0.20 -0.33 -1.03 0.00 0.00 179.24 179.23 1i5j h GLU 47 N 0.16 0.12 -0.36 4.15 5.08 -1.89 0.33 114.58 122.19 1i5j h GLU 47 Ca -0.19 -0.14 0.10 0.00 -1.00 0.00 0.00 59.36 58.13 1i5j h GLU 47 Cb 2.01 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.29 1i5j h GLU 47 CO 0.24 0.93 0.26 -0.22 -1.00 0.00 0.00 179.01 179.21 1i5j h LYS 48 N -0.62 0.00 0.00 2.33 3.64 -1.79 0.98 116.57 121.11 1i5j h LYS 48 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1i5j h LYS 48 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1i5j h LYS 48 CO 0.04 0.00 -1.17 1.47 -2.27 0.00 0.00 179.45 177.52 1i5j n LEU 49 N -4.41 0.61 -3.15 5.20 -0.00 -1.11 -4.88 117.00 109.26 1i5j n LEU 49 Ca 0.06 0.16 0.06 0.00 -0.00 0.00 0.00 56.01 56.28 1i5j n LEU 49 Cb 0.44 -0.07 -0.01 0.00 -0.00 0.00 0.00 43.42 43.78 1i5j n LEU 49 CO 0.36 -0.08 0.64 0.00 -0.00 0.00 0.00 177.39 178.30 1i5j s ARG 50 N -3.33 0.10 0.08 1.47 1.70 0.31 -5.06 118.95 114.22 1i5j s ARG 50 Ca -0.00 0.15 0.00 0.00 -0.47 0.00 0.00 55.73 55.40 1i5j s ARG 50 Cb 0.12 0.08 0.00 0.00 -0.57 0.00 0.00 34.95 34.58 1i5j s ARG 50 CO 0.81 -0.14 0.00 -0.25 -1.08 0.00 0.00 175.30 174.64 1i5j n ASP 51 N 5.32 -0.71 -0.36 -2.89 9.92 -1.02 -3.99 116.55 122.81 1i5j n ASP 51 Ca -0.01 0.45 0.37 0.00 -0.53 0.00 0.00 54.79 55.07 1i5j n ASP 51 Cb 0.56 0.98 0.74 0.00 -0.64 0.00 0.00 41.12 42.76 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 0.00 0.00 0.64 8.10 -1.95 0.73 115.31 122.83 1i5j h LEU 52 Ca 0.00 0.00 -0.21 0.00 0.11 0.00 0.00 57.88 57.78 1i5j h LEU 52 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.19 1i5j h LEU 52 CO 0.00 0.00 -1.42 0.00 -4.11 0.00 0.00 178.44 172.91 1i5j n TYR 53 N -4.00 0.53 0.72 0.17 9.36 -1.26 -2.83 117.16 119.85 1i5j n TYR 53 Ca 0.28 0.23 -0.01 0.00 3.32 0.00 0.00 57.90 61.72 1i5j n TYR 53 Cb 1.39 -0.89 0.04 0.00 -0.63 0.00 0.00 39.34 39.25 1i5j n TYR 53 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1i5j n SER 54 N -4.43 2.33 0.00 2.98 3.41 -0.62 -1.57 113.62 115.73 1i5j n SER 54 Ca -0.30 -2.17 0.00 0.00 -0.26 0.00 0.00 58.87 56.14 1i5j n SER 54 Cb 0.62 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 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 0.18 0.00 0.03 4.33 4.76 0.25 -4.44 118.16 123.26 1i5j n LYS 55 Ca 0.06 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.61 1i5j n LYS 55 Cb 0.51 -0.15 -0.03 0.00 -1.84 0.00 0.00 35.03 33.52 1i5j n LYS 55 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1i5j n SER 56 N -1.90 0.54 -0.00 4.39 7.64 -1.13 -2.46 113.62 120.69 1i5j n SER 56 Ca 0.00 -0.10 0.04 0.00 1.01 0.00 0.00 58.87 59.82 1i5j n SER 56 Cb 0.00 1.02 -0.05 0.00 -1.01 0.00 0.00 64.21 64.16 1i5j n SER 56 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1i5j n THR 57 N -2.14 0.00 -0.04 0.44 -1.04 -0.79 -4.32 114.28 106.39 1i5j n THR 57 Ca 0.00 -0.23 -0.06 0.00 -2.04 0.00 0.00 64.05 61.72 1i5j n THR 57 Cb 0.48 0.58 -0.03 0.00 -1.82 0.00 0.00 70.33 69.54 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 -1.55 1.98 1.52 2.41 0.00 -0.61 -3.86 120.51 120.40 1i5j n ALA 58 Ca -0.00 -0.31 0.08 0.00 0.00 0.00 0.00 53.44 53.21 1i5j n ALA 58 Cb 0.17 0.35 0.36 0.00 0.00 0.00 0.00 19.45 20.33 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 -2.84 2.54 0.00 0.00 0.00 -1.03 -2.53 120.51 116.65 1i5j n ALA 59 Ca -0.13 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1i5j n ALA 59 Cb 0.63 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1i5j n ALA 59 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1i5j n MET 60 N -0.11 2.07 0.03 0.00 2.81 -1.20 -4.56 117.12 116.16 1i5j n MET 60 Ca 0.13 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.92 1i5j n MET 60 Cb 0.20 -0.86 -0.13 0.00 -0.71 0.00 0.00 33.22 31.71 1i5j n MET 60 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1i5j h SER 61 N 0.00 0.11 -0.24 7.83 0.87 -1.67 -3.30 113.55 117.15 1i5j h SER 61 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1i5j h SER 61 Cb 0.73 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1i5j h SER 61 CO 0.00 1.14 0.00 0.41 -0.53 0.00 0.00 176.83 177.85 1i5j n THR 62 N -3.26 0.31 0.11 2.23 -1.04 -1.05 -4.01 114.28 107.56 1i5j n THR 62 Ca -0.11 -0.44 -0.03 0.00 -2.04 0.00 0.00 64.05 61.42 1i5j n THR 62 Cb 1.01 0.46 0.15 0.00 -1.82 0.00 0.00 70.33 70.13 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 2.62 0.16 -0.26 -1.42 3.20 -1.77 -2.71 116.97 116.79 1i5j h TYR 63 Ca 0.00 -0.06 0.08 0.00 3.14 0.00 0.00 58.73 61.88 1i5j h TYR 63 Cb 0.58 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1i5j h TYR 63 CO 0.15 0.70 0.34 0.00 -1.64 0.00 0.00 178.16 177.71 1i5j h THR 64 N 0.09 0.33 0.00 1.81 1.03 -1.80 0.72 112.91 115.09 1i5j h THR 64 Ca -0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 66.41 66.33 1i5j h THR 64 Cb 1.09 0.72 -0.01 0.00 -1.07 0.00 0.00 68.15 68.88 1i5j h THR 64 CO 0.09 0.00 -1.38 0.61 -0.01 0.00 0.00 175.52 174.83 1i5j n GLY 65 N -1.41 -1.28 0.00 2.99 0.00 -1.03 -3.97 105.19 100.49 1i5j n GLY 65 Ca 0.04 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.65 0.02 0.04 -0.61 2.08 0.19 -3.26 119.36 115.16 1i5j n ILE 66 Ca -0.05 -0.02 -0.13 0.00 0.56 0.00 0.00 62.75 63.11 1i5j n ILE 66 Cb 0.66 0.42 -0.09 0.00 -0.75 0.00 0.00 39.64 39.88 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 3.57 -0.07 -3.17 116.94 118.57 1i5j h PHE 67 Ca 0.00 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 1i5j h PHE 67 Cb 0.52 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1i5j h PHE 67 CO 0.00 0.26 -0.81 1.15 -2.23 0.00 0.00 178.31 176.67 1i5j h THR 68 N -0.45 0.93 -0.03 4.41 2.02 -1.76 -3.27 112.91 114.76 1i5j h THR 68 Ca -0.01 -2.39 0.01 0.00 0.77 0.00 0.00 66.41 64.79 1i5j h THR 68 Cb 0.39 2.41 -0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1i5j h THR 68 CO 0.02 0.53 0.12 -0.78 0.37 0.00 0.00 175.52 175.77 1i5j h ASP 69 N 0.00 0.00 -0.67 4.18 3.58 -1.56 0.27 116.42 122.22 1i5j h ASP 69 Ca -0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1i5j h ASP 69 Cb 1.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.56 1i5j h ASP 69 CO 0.07 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.43 1i5j n GLN 70 N -3.24 3.43 -0.03 0.28 6.02 -1.20 -3.76 117.38 118.88 1i5j n GLN 70 Ca -0.02 -2.81 -0.03 0.00 -0.01 0.00 0.00 57.00 54.13 1i5j n GLN 70 Cb 0.19 -1.79 -0.01 0.00 1.02 0.00 0.00 30.24 29.66 1i5j n GLN 70 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1i5j n VAL 71 N 1.25 0.47 0.23 5.09 0.31 0.95 -3.93 118.33 122.70 1i5j n VAL 71 Ca 0.25 0.38 0.10 0.00 -0.01 0.00 0.00 64.34 65.07 1i5j n VAL 71 Cb 0.81 -1.76 0.55 0.00 -0.91 0.00 0.00 33.84 32.52 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 -0.31 0.00 -0.38 7.52 8.10 -1.80 0.83 115.31 129.27 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 0.31 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.53 1i5j h LEU 72 CO 0.00 0.21 0.00 0.77 -4.11 0.00 0.00 178.44 175.31 1i5j h SER 73 N 0.00 0.00 0.00 0.17 4.64 -1.80 0.65 113.55 117.21 1i5j h SER 73 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1i5j h SER 73 Cb 0.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1i5j h SER 73 CO 0.03 0.00 -1.09 0.52 -0.87 0.00 0.00 176.83 175.42 1i5j n VAL 74 N -2.46 0.02 0.03 0.95 0.31 -0.60 -2.04 118.33 114.53 1i5j n VAL 74 Ca 0.04 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1i5j n VAL 74 Cb 0.37 0.26 -0.00 0.00 -0.91 0.00 0.00 33.84 33.55 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 -1.64 0.04 -0.20 7.52 -0.00 0.28 -4.66 117.00 118.34 1i5j n LEU 75 Ca -0.01 -0.50 0.06 0.00 -0.00 0.00 0.00 56.01 55.56 1i5j n LEU 75 Cb 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.52 1i5j n LEU 75 CO 0.04 0.01 0.16 0.29 -0.00 0.00 0.00 177.39 177.89 1i5j n LYS 76 N -1.01 2.24 0.00 1.47 4.76 0.01 -4.97 118.16 120.66 1i5j n LYS 76 Ca 0.00 -0.49 0.00 0.00 -2.87 0.00 0.00 58.31 54.95 1i5j n LYS 76 Cb 0.01 -1.13 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 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 1.08 0.69 2.93 0.72 0.00 -1.05 -4.65 105.19 104.92 1i5j n GLY 77 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.60 -0.52 1.61 2.13 -0.87 -4.96 120.64 115.44 1i5j n GLU 78 Ca 0.00 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.52 1i5j n GLU 78 Cb 0.00 -5.07 0.00 0.00 0.27 0.00 0.00 31.44 26.64 1i5j n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81