#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1of9 h GLU 2 N 0.00 0.00 -0.93 1.61 5.08 -1.98 -0.85 114.58 117.51 1of9 h GLU 2 Ca 0.00 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.53 1of9 h GLU 2 Cb 0.00 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.08 1of9 h GLU 2 CO 0.00 0.00 -0.29 -0.89 -1.00 0.00 0.00 179.01 176.83 1of9 n ILE 3 N -3.04 -0.43 0.00 3.13 2.08 -1.26 -4.30 119.36 115.53 1of9 n ILE 3 Ca 0.06 2.16 0.00 0.00 0.56 0.00 0.00 62.75 65.53 1of9 n ILE 3 Cb 0.85 -2.92 0.00 0.00 -0.75 0.00 0.00 39.64 36.82 1of9 n ILE 3 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 1of9 n LEU 4 N -5.46 0.00 -0.05 1.39 -0.00 -0.42 -4.99 117.00 107.48 1of9 n LEU 4 Ca 0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 56.04 1of9 n LEU 4 Cb 0.43 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.82 1of9 n LEU 4 CO -0.12 0.00 -0.60 0.00 -0.00 0.00 0.00 177.39 176.67 1of9 h ASN 6 N -0.62 0.00 0.06 0.00 4.21 -1.88 -2.85 115.58 114.51 1of9 h ASN 6 Ca -0.12 -0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.36 1of9 h ASN 6 Cb 0.83 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.03 1of9 h ASN 6 CO -0.07 0.02 -0.03 -0.07 -1.29 0.00 0.00 177.43 175.99 1of9 h LEU 7 N 0.00 -0.07 0.30 1.61 4.07 -1.87 -0.56 115.31 118.79 1of9 h LEU 7 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1of9 h LEU 7 Cb 0.76 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.49 1of9 h LEU 7 CO 0.00 -0.03 -0.31 0.00 -1.08 0.00 0.00 178.44 177.02 1of9 h THR 9 N -0.64 0.06 0.05 0.00 2.02 -1.62 1.05 112.91 113.83 1of9 h THR 9 Ca -0.01 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.93 1of9 h THR 9 Cb 0.59 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1of9 h THR 9 CO -0.07 0.00 -1.05 1.23 0.37 0.00 0.00 175.52 176.01 1of9 h GLY 10 N 0.00 0.38 1.05 2.16 0.00 0.98 -3.04 103.07 104.60 1of9 h GLY 10 Ca 0.05 -0.76 -0.34 0.00 0.00 0.00 0.00 47.33 46.28 1of9 h GLY 10 CO -0.00 0.67 -1.66 0.17 0.00 0.00 0.00 176.54 175.73 1of9 h LEU 11 N 0.16 0.63 -0.32 3.11 8.10 0.14 -3.24 115.31 123.89 1of9 h LEU 11 Ca -0.10 -0.86 0.07 0.00 0.11 0.00 0.00 57.88 57.11 1of9 h LEU 11 Cb 1.71 -0.20 -0.08 0.00 -0.44 0.00 0.00 40.66 41.65 1of9 h LEU 11 CO 0.18 1.71 -0.28 0.40 -4.11 0.00 0.00 178.44 176.34 1of9 h ILE 12 N 0.11 0.31 -0.49 0.15 1.08 -0.51 0.60 117.51 118.77 1of9 h ILE 12 Ca -0.31 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.25 1of9 h ILE 12 Cb 2.10 0.31 -0.03 0.00 -3.07 0.00 0.00 36.82 36.14 1of9 h ILE 12 CO 0.20 0.00 0.33 0.78 -0.69 0.00 0.00 178.15 178.77 1of9 h ASN 13 N -0.25 0.24 0.66 1.72 2.35 -1.66 0.34 115.58 118.98 1of9 h ASN 13 Ca 0.16 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.83 1of9 h ASN 13 Cb 0.50 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1of9 h ASN 13 CO -0.46 0.15 -0.41 0.74 -1.65 0.00 0.00 177.43 175.80 1of9 h THR 14 N 0.27 1.06 0.00 2.81 2.02 0.02 -2.41 112.91 116.68 1of9 h THR 14 Ca 0.22 -1.52 -0.06 0.00 0.77 0.00 0.00 66.41 65.82 1of9 h THR 14 Cb 0.54 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 1of9 h THR 14 CO -0.05 0.40 -0.28 -0.07 0.37 0.00 0.00 175.52 175.89 1of9 h LEU 15 N 0.00 0.00 -1.19 2.58 3.38 0.28 2.65 115.31 123.00 1of9 h LEU 15 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1of9 h LEU 15 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1of9 h LEU 15 CO 0.05 0.28 -0.33 -0.33 0.09 0.00 0.00 178.44 178.20 1of9 h GLU 16 N 0.00 0.00 0.00 1.13 5.08 -1.18 -3.03 114.58 116.57 1of9 h GLU 16 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1of9 h GLU 16 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1of9 h GLU 16 CO 0.04 0.33 -1.18 -1.71 -1.00 0.00 0.00 179.01 175.49 1of9 n ASN 17 N -3.68 1.81 0.00 1.42 5.15 -0.72 -4.60 115.26 114.63 1of9 n ASN 17 Ca -0.01 -0.25 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 1of9 n ASN 17 Cb 0.44 1.34 0.00 0.00 -0.53 0.00 0.00 39.78 41.03 1of9 n ASN 17 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1of9 n LEU 18 N -1.68 0.00 0.00 1.20 7.94 0.88 -4.72 117.00 120.63 1of9 n LEU 18 Ca -0.01 0.25 -0.03 0.00 -1.11 0.00 0.00 56.01 55.11 1of9 n LEU 18 Cb 0.25 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.19 1of9 n LEU 18 CO 0.23 0.00 -0.36 0.18 -1.11 0.00 0.00 177.39 176.33 1of9 n LEU 19 N -0.44 0.85 -3.18 -1.96 4.32 -1.26 -4.97 117.00 110.37 1of9 n LEU 19 Ca 0.00 0.12 -0.23 0.00 -0.02 0.00 0.00 56.01 55.88 1of9 n LEU 19 Cb 0.00 -0.29 -0.04 0.00 -1.62 0.00 0.00 43.42 41.47 1of9 n LEU 19 CO 0.00 -0.33 -0.09 1.07 -1.22 0.00 0.00 177.39 176.82 1of9 n THR 20 N -3.47 0.00 0.00 -5.08 5.66 -1.26 -3.22 114.28 106.91 1of9 n THR 20 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1of9 n THR 20 Cb 0.30 -0.27 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 1of9 n THR 20 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1of9 n THR 21 N -2.59 0.00 0.05 1.09 -1.04 -1.26 -4.99 114.28 105.54 1of9 n THR 21 Ca 0.06 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.96 1of9 n THR 21 Cb 0.29 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.76 1of9 n THR 21 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1of9 h LYS 22 N 0.00 -0.41 0.00 -2.82 1.63 -1.93 -3.45 116.57 109.59 1of9 h LYS 22 Ca 0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1of9 h LYS 22 Cb 0.00 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1of9 h LYS 22 CO 0.00 -0.27 0.00 0.41 -3.45 0.00 0.00 179.45 176.14 1of9 n GLY 23 N -1.40 0.15 1.02 5.01 0.00 -1.26 -4.95 105.19 103.76 1of9 n GLY 23 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1of9 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1of9 n ALA 24 N 0.00 0.00 0.03 4.61 0.00 -1.26 -4.95 120.51 118.94 1of9 n ALA 24 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1of9 n ALA 24 Cb 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 19.45 19.20 1of9 n ALA 24 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1of9 h ASP 25 N 0.00 0.44 0.34 0.00 3.32 -2.01 -3.27 116.42 115.25 1of9 h ASP 25 Ca 0.00 -0.88 0.00 0.00 0.02 0.00 0.00 57.03 56.17 1of9 h ASP 25 Cb 0.00 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1of9 h ASP 25 CO 0.00 1.62 0.00 0.50 -1.72 0.00 0.00 179.24 179.64 1of9 h LYS 26 N -0.24 0.00 0.24 3.56 1.63 -1.98 -2.41 116.57 117.36 1of9 h LYS 26 Ca -0.29 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.50 1of9 h LYS 26 Cb 1.80 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.44 1of9 h LYS 26 CO 0.09 0.00 -0.11 -0.24 -3.45 0.00 0.00 179.45 175.74 1of9 h VAL 27 N 0.00 0.82 0.00 2.00 3.04 -1.97 0.80 116.25 120.94 1of9 h VAL 27 Ca 0.00 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 1of9 h VAL 27 Cb 0.17 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 1of9 h VAL 27 CO 0.00 0.10 0.00 2.29 -1.01 0.00 0.00 177.57 178.95 1of9 n LYS 28 N -5.13 0.10 0.07 4.17 2.85 -0.92 0.77 118.16 120.07 1of9 n LYS 28 Ca -0.09 0.39 -0.17 0.00 -1.05 0.00 0.00 58.31 57.38 1of9 n LYS 28 Cb 0.22 -1.71 -0.14 0.00 -0.65 0.00 0.00 35.03 32.75 1of9 n LYS 28 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1of9 h ASP 29 N 0.00 0.41 0.65 -5.58 1.82 -1.20 -2.84 116.42 109.68 1of9 h ASP 29 Ca 0.00 -0.56 -0.16 0.00 -0.39 0.00 0.00 57.03 55.92 1of9 h ASP 29 Cb 0.25 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.10 1of9 h ASP 29 CO 0.00 1.46 -1.47 0.00 -1.61 0.00 0.00 179.24 177.63 1of9 n TYR 30 N -3.47 0.88 0.09 0.28 4.19 0.20 -3.30 117.16 116.04 1of9 n TYR 30 Ca -0.16 0.29 -0.06 0.00 3.31 0.00 0.00 57.90 61.28 1of9 n TYR 30 Cb 1.05 -1.05 0.04 0.00 0.49 0.00 0.00 39.34 39.87 1of9 n TYR 30 CO 0.00 0.00 0.00 0.82 0.91 0.00 0.00 176.86 178.59 1of9 h ILE 31 N 0.00 1.48 -0.03 2.97 2.04 0.23 -2.34 117.51 121.87 1of9 h ILE 31 Ca -0.17 -2.46 -0.02 0.00 1.00 0.00 0.00 64.86 63.21 1of9 h ILE 31 Cb 1.55 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 39.97 1of9 h ILE 31 CO 0.04 0.71 -0.07 0.28 0.00 0.00 0.00 178.15 179.12 1of9 h SER 32 N 0.09 0.11 -0.90 1.72 0.02 -1.62 0.51 113.55 113.47 1of9 h SER 32 Ca -0.02 -0.60 0.06 0.00 -0.84 0.00 0.00 61.79 60.39 1of9 h SER 32 Cb 1.36 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.81 1of9 h SER 32 CO 0.11 0.69 0.58 0.28 -1.14 0.00 0.00 176.83 177.35 1of9 h SER 33 N -0.47 0.90 0.03 3.07 0.02 -1.58 1.59 113.55 117.10 1of9 h SER 33 Ca -0.00 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1of9 h SER 33 Cb 0.67 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1of9 h SER 33 CO 0.01 0.58 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.20 1of9 h LEU 34 N 1.02 -0.03 -0.95 5.07 3.38 -1.39 -3.03 115.31 119.37 1of9 h LEU 34 Ca 0.39 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1of9 h LEU 34 Cb 0.20 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1of9 h LEU 34 CO -0.14 0.70 0.00 0.00 0.09 0.00 0.00 178.44 179.09 1of9 n ASN 36 N -2.14 6.42 -2.57 0.00 2.85 0.54 -3.52 115.26 116.84 1of9 n ASN 36 Ca 0.00 -2.47 -0.04 0.00 -0.11 0.00 0.00 54.58 51.96 1of9 n ASN 36 Cb 0.11 -1.41 0.09 0.00 1.24 0.00 0.00 39.78 39.81 1of9 n ASN 36 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1of9 n LYS 37 N 3.04 0.96 0.00 1.20 3.00 -1.20 -4.96 118.16 120.19 1of9 n LYS 37 Ca 0.56 -1.26 0.00 0.00 -0.00 0.00 0.00 58.31 57.60 1of9 n LYS 37 Cb 0.58 0.12 0.00 0.00 0.00 0.00 0.00 35.03 35.72 1of9 n LYS 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1of9 n ALA 38 N -0.83 0.00 -3.71 3.14 0.00 -1.23 -4.99 120.51 112.90 1of9 n ALA 38 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 1of9 n ALA 38 Cb 0.79 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.28 1of9 n ALA 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1of9 n SER 39 N 0.00 -1.96 0.00 0.00 2.88 -1.26 -4.83 113.62 108.45 1of9 n SER 39 Ca 0.00 -0.79 0.00 0.00 -1.33 0.00 0.00 58.87 56.75 1of9 n SER 39 Cb 0.00 -4.16 0.00 0.00 -0.75 0.00 0.00 64.21 59.30 1of9 n SER 39 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1of9 n GLY 40 N -1.57 1.99 0.34 0.46 0.00 -1.26 -4.89 105.19 100.26 1of9 n GLY 40 Ca -0.24 0.02 0.17 0.00 0.00 0.00 0.00 46.02 45.97 1of9 n GLY 40 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1of9 h PHE 41 N 0.00 0.00 0.00 1.61 3.04 -2.01 0.79 116.94 120.37 1of9 h PHE 41 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1of9 h PHE 41 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1of9 h PHE 41 CO 0.00 0.00 -0.43 -0.89 -2.02 0.00 0.00 178.31 174.97 1of9 n ILE 42 N -4.12 0.10 -0.36 1.41 -0.00 -1.26 -4.24 119.36 110.89 1of9 n ILE 42 Ca 0.04 -0.07 -0.10 0.00 -0.00 0.00 0.00 62.75 62.62 1of9 n ILE 42 Cb 0.38 -0.00 -0.09 0.00 -0.00 0.00 0.00 39.64 39.94 1of9 n ILE 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1of9 n ALA 43 N -1.59 -0.55 0.25 -1.39 0.00 0.27 0.34 120.51 117.84 1of9 n ALA 43 Ca 0.05 0.74 0.11 0.00 0.00 0.00 0.00 53.44 54.34 1of9 n ALA 43 Cb 0.36 -0.12 0.66 0.00 0.00 0.00 0.00 19.45 20.35 1of9 n ALA 43 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1of9 h THR 44 N 0.00 0.62 -0.41 0.00 2.02 -1.74 -1.72 112.91 111.68 1of9 h THR 44 Ca 0.14 -0.68 -0.15 0.00 0.77 0.00 0.00 66.41 66.49 1of9 h THR 44 Cb 0.35 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1of9 h THR 44 CO -0.81 0.15 -0.33 -0.07 0.37 0.00 0.00 175.52 174.83 1of9 h LEU 45 N 0.00 0.99 0.53 2.58 3.38 0.55 0.19 115.31 123.53 1of9 h LEU 45 Ca -0.00 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 1of9 h LEU 45 Cb 0.42 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.90 1of9 h LEU 45 CO 0.02 1.22 -0.25 0.00 0.09 0.00 0.00 178.44 179.52 1of9 h THR 47 N -1.09 0.00 0.70 0.00 2.02 -1.39 -2.13 112.91 111.02 1of9 h THR 47 Ca -0.07 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1of9 h THR 47 Cb 0.54 0.49 0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1of9 h THR 47 CO 0.12 0.00 -0.34 0.11 0.37 0.00 0.00 175.52 175.78 1of9 h LYS 48 N 0.00 -0.91 -0.67 6.66 1.79 -0.36 0.21 116.57 123.29 1of9 h LYS 48 Ca 0.00 0.06 0.14 0.00 -2.18 0.00 0.00 60.65 58.67 1of9 h LYS 48 Cb 0.13 0.21 -0.10 0.00 -1.58 0.00 0.00 32.23 30.89 1of9 h LYS 48 CO 0.00 -0.60 0.16 0.28 -1.08 0.00 0.00 179.45 178.20 1of9 h VAL 49 N -1.24 0.58 0.29 0.50 2.07 -1.25 0.39 116.25 117.58 1of9 h VAL 49 Ca -0.10 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1of9 h VAL 49 Cb 0.73 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1of9 h VAL 49 CO 0.16 0.05 -0.21 -0.07 0.02 0.00 0.00 177.57 177.51 1of9 h LEU 50 N 0.27 -0.55 -0.97 2.57 3.38 -1.48 1.66 115.31 120.20 1of9 h LEU 50 Ca 0.37 0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.53 1of9 h LEU 50 Cb 0.58 0.18 -0.10 0.00 0.09 0.00 0.00 40.66 41.41 1of9 h LEU 50 CO -0.46 -0.33 0.58 0.44 0.09 0.00 0.00 178.44 178.76 1of9 h ASP 51 N -0.50 0.77 0.23 -0.43 3.32 0.97 -2.34 116.42 118.43 1of9 h ASP 51 Ca -0.02 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1of9 h ASP 51 Cb 0.44 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1of9 h ASP 51 CO -0.00 0.33 -0.11 0.15 -1.72 0.00 0.00 179.24 177.89 1of9 h PHE 52 N 0.81 -0.28 0.00 4.55 3.57 0.57 -3.50 116.94 122.66 1of9 h PHE 52 Ca 0.52 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.02 1of9 h PHE 52 Cb 0.70 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1of9 h PHE 52 CO -0.02 0.10 0.00 0.41 -2.23 0.00 0.00 178.31 176.56 1of9 n GLY 53 N 0.44 2.57 0.36 2.40 0.00 0.56 -4.73 105.19 106.79 1of9 n GLY 53 Ca -0.08 -0.70 0.24 0.00 0.00 0.00 0.00 46.02 45.48 1of9 n GLY 53 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1of9 h ILE 54 N 0.00 0.36 -0.81 -0.61 5.03 -1.81 1.52 117.51 121.20 1of9 h ILE 54 Ca 0.00 -0.13 -0.04 0.00 -0.12 0.00 0.00 64.86 64.58 1of9 h ILE 54 Cb 0.00 -0.03 -0.04 0.00 -3.03 0.00 0.00 36.82 33.72 1of9 h ILE 54 CO 0.00 0.07 0.36 0.44 -0.68 0.00 0.00 178.15 178.34 1of9 h ASP 55 N 0.37 1.08 0.36 1.72 5.19 -1.92 -2.58 116.42 120.63 1of9 h ASP 55 Ca 0.70 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.95 1of9 h ASP 55 Cb 1.65 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.87 1of9 h ASP 55 CO -0.52 0.93 -0.23 0.11 -3.12 0.00 0.00 179.24 176.42 1of9 h LYS 56 N 1.16 -0.55 -0.94 3.56 1.79 0.18 0.17 116.57 121.94 1of9 h LYS 56 Ca 0.27 0.04 0.27 0.00 -2.18 0.00 0.00 60.65 59.05 1of9 h LYS 56 Cb 0.16 0.12 -0.15 0.00 -1.58 0.00 0.00 32.23 30.79 1of9 h LYS 56 CO -0.03 -0.36 0.38 -0.07 -1.08 0.00 0.00 179.45 178.28 1of9 h LEU 57 N -0.57 0.22 -0.58 2.94 3.38 -0.98 1.56 115.31 121.28 1of9 h LEU 57 Ca -0.04 0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 1of9 h LEU 57 Cb 0.47 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1of9 h LEU 57 CO 0.04 -0.15 -0.40 0.40 0.09 0.00 0.00 178.44 178.41 1of9 h ILE 58 N 0.26 1.29 -0.72 1.22 2.04 -0.97 -2.61 117.51 118.02 1of9 h ILE 58 Ca 0.63 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 1of9 h ILE 58 Cb 1.36 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 1of9 h ILE 58 CO -0.64 0.51 0.40 -0.61 0.00 0.00 0.00 178.15 177.80 1of9 h GLN 59 N 0.56 1.01 0.51 2.37 -0.00 0.49 -0.52 115.11 119.53 1of9 h GLN 59 Ca 0.05 -0.12 -0.02 0.00 -0.00 0.00 0.00 58.65 58.55 1of9 h GLN 59 Cb 0.94 -0.20 0.00 0.00 0.00 0.00 0.00 27.48 28.22 1of9 h GLN 59 CO 0.09 0.75 -0.26 -0.07 0.00 0.00 0.00 178.83 179.33 1of9 h LEU 60 N 1.00 -0.63 -0.50 -2.39 3.38 -0.16 -1.78 115.31 114.22 1of9 h LEU 60 Ca 0.25 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.35 1of9 h LEU 60 Cb 0.04 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 40.87 1of9 h LEU 60 CO -0.04 -0.44 -0.05 -0.29 0.09 0.00 0.00 178.44 177.71 1of9 h ILE 61 N -0.71 0.56 -1.00 1.22 2.10 -1.26 0.33 117.51 118.75 1of9 h ILE 61 Ca -0.07 -0.02 0.22 0.00 1.08 0.00 0.00 64.86 66.07 1of9 h ILE 61 Cb 0.56 0.49 -0.10 0.00 -1.09 0.00 0.00 36.82 36.68 1of9 h ILE 61 CO 0.10 0.01 0.62 -0.33 -1.08 0.00 0.00 178.15 177.48 1of9 h GLU 62 N 0.06 0.57 0.12 2.19 4.39 -0.76 -2.60 114.58 118.56 1of9 h GLU 62 Ca 0.25 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 1of9 h GLU 62 Cb 0.38 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1of9 h GLU 62 CO -0.46 0.37 -0.06 0.22 -1.16 0.00 0.00 179.01 177.93 1of9 h ASP 63 N 0.58 -0.14 0.00 1.42 3.58 0.41 -3.48 116.42 118.80 1of9 h ASP 63 Ca 0.58 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.03 1of9 h ASP 63 Cb 1.15 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1of9 h ASP 63 CO -0.34 -0.02 0.00 0.29 -2.88 0.00 0.00 179.24 176.29 1of9 n LYS 64 N -2.88 0.00 -3.63 0.28 5.02 0.10 -5.11 118.16 111.94 1of9 n LYS 64 Ca -0.02 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.88 1of9 n LYS 64 Cb 0.07 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.96 1of9 n LYS 64 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1of9 s VAL 65 N 0.00 4.61 0.94 -0.18 1.01 -0.80 -4.97 120.40 121.01 1of9 s VAL 65 Ca 0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 1of9 s VAL 65 Cb 0.00 -3.44 0.18 0.00 0.00 0.00 0.00 36.38 33.12 1of9 s VAL 65 CO 0.00 -0.05 0.41 0.47 0.00 0.00 0.00 175.10 175.93 1of9 n ASP 66 N 4.99 -2.99 0.10 3.32 9.92 -1.26 -3.96 116.55 126.68 1of9 n ASP 66 Ca -0.13 -0.42 -0.22 0.00 -0.53 0.00 0.00 54.79 53.50 1of9 n ASP 66 Cb 0.48 -0.71 -0.15 0.00 -0.64 0.00 0.00 41.12 40.10 1of9 n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1of9 h ALA 67 N -2.76 0.05 -0.01 2.24 0.00 -1.98 -2.92 119.26 113.89 1of9 h ALA 67 Ca -0.19 -1.00 -0.05 0.00 0.00 0.00 0.00 54.91 53.67 1of9 h ALA 67 Cb 0.63 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1of9 h ALA 67 CO 0.11 0.92 -0.21 -0.97 0.00 0.00 0.00 179.25 179.10 1of9 h ASN 68 N 0.11 0.20 -1.00 0.00 -0.73 -1.88 -1.45 115.58 110.83 1of9 h ASN 68 Ca -0.27 -0.75 0.16 0.00 1.87 0.00 0.00 56.30 57.30 1of9 h ASN 68 Cb 2.10 -0.06 -0.09 0.00 0.27 0.00 0.00 38.32 40.54 1of9 h ASN 68 CO 0.22 0.92 0.62 0.00 -0.37 0.00 0.00 177.43 178.82 1of9 h ALA 69 N 0.28 1.63 -0.17 1.57 0.00 -1.92 0.51 119.26 121.16 1of9 h ALA 69 Ca -0.02 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1of9 h ALA 69 Cb 0.95 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1of9 h ALA 69 CO 0.04 0.06 -0.18 0.82 0.00 0.00 0.00 179.25 179.99 1of9 h ILE 70 N 0.86 1.34 0.00 0.00 1.08 -1.51 -2.12 117.51 117.15 1of9 h ILE 70 Ca 0.53 -1.35 0.00 0.00 -0.39 0.00 0.00 64.86 63.65 1of9 h ILE 70 Cb 0.71 1.83 0.00 0.00 -3.07 0.00 0.00 36.82 36.30 1of9 h ILE 70 CO -0.31 0.40 0.00 0.00 -0.69 0.00 0.00 178.15 177.55 1of9 h ALA 72 N 2.20 -0.00 0.04 0.00 0.00 0.61 0.86 119.26 122.96 1of9 h ALA 72 Ca 0.00 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.41 1of9 h ALA 72 Cb 0.15 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1of9 h ALA 72 CO 0.00 0.10 -0.51 -0.22 0.00 0.00 0.00 179.25 178.61 1of9 h LYS 73 N -0.65 -0.65 -0.51 0.00 3.64 -1.08 0.60 116.57 117.92 1of9 h LYS 73 Ca -0.04 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1of9 h LYS 73 Cb 1.11 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1of9 h LYS 73 CO 0.05 -0.43 0.00 0.44 -2.27 0.00 0.00 179.45 177.24 1of9 n ILE 74 N -5.34 0.00 -3.57 2.00 -0.00 -1.19 -4.83 119.36 106.44 1of9 n ILE 74 Ca -0.07 0.00 -0.26 0.00 -0.00 0.00 0.00 62.75 62.41 1of9 n ILE 74 Cb 0.39 -0.27 -0.06 0.00 -0.00 0.00 0.00 39.64 39.70 1of9 n ILE 74 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 1of9 n HIS 75 N -0.22 -0.79 2.00 4.28 8.25 0.21 -4.66 115.22 124.29 1of9 n HIS 75 Ca 0.00 0.44 0.13 0.00 -0.26 0.00 0.00 57.72 58.03 1of9 n HIS 75 Cb 0.13 -1.41 0.77 0.00 1.12 0.00 0.00 29.99 30.60 1of9 n HIS 75 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1of9 n ALA 76 N -3.00 2.65 0.00 -1.41 0.00 0.29 -4.84 120.51 114.21 1of9 n ALA 76 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1of9 n ALA 76 Cb 0.34 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1of9 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50