#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1of9 n GLU 2 N 0.00 1.05 0.00 1.61 0.28 -1.26 -4.85 120.64 117.46 1of9 n GLU 2 Ca 0.00 -2.86 0.00 0.00 -0.16 0.00 0.00 57.16 54.14 1of9 n GLU 2 Cb 0.00 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 31.61 1of9 n GLU 2 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1of9 n ILE 3 N 0.12 0.00 -1.96 3.84 5.41 -1.26 -3.69 119.36 121.81 1of9 n ILE 3 Ca 0.14 1.45 0.04 0.00 1.00 0.00 0.00 62.75 65.39 1of9 n ILE 3 Cb 0.73 -1.98 0.07 0.00 -0.71 0.00 0.00 39.64 37.75 1of9 n ILE 3 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1of9 n LEU 4 N -2.77 1.32 0.00 1.39 7.94 -1.26 -4.89 117.00 118.72 1of9 n LEU 4 Ca 0.00 -2.32 0.00 0.00 -1.11 0.00 0.00 56.01 52.58 1of9 n LEU 4 Cb 0.00 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 43.77 1of9 n LEU 4 CO 0.00 0.67 0.35 0.00 -1.11 0.00 0.00 177.39 177.30 1of9 n ASN 6 N -1.49 0.08 0.05 0.00 3.02 -1.26 0.20 115.26 115.86 1of9 n ASN 6 Ca 0.00 1.13 -0.12 0.00 -0.03 0.00 0.00 54.58 55.57 1of9 n ASN 6 Cb 0.00 -0.56 -0.08 0.00 -0.61 0.00 0.00 39.78 38.52 1of9 n ASN 6 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1of9 h LEU 7 N 0.00 -0.17 0.00 3.41 4.07 -1.84 -1.23 115.31 119.56 1of9 h LEU 7 Ca 0.91 -0.37 0.00 0.00 0.08 0.00 0.00 57.88 58.50 1of9 h LEU 7 Cb 3.39 0.04 0.00 0.00 1.08 0.00 0.00 40.66 45.17 1of9 h LEU 7 CO -0.18 0.36 0.00 0.00 -1.08 0.00 0.00 178.44 177.53 1of9 h THR 9 N 0.00 0.01 -0.02 0.00 1.35 -0.67 2.88 112.91 116.47 1of9 h THR 9 Ca 0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.60 1of9 h THR 9 Cb 0.00 0.02 0.02 0.00 -1.73 0.00 0.00 68.15 66.46 1of9 h THR 9 CO 0.00 0.00 -1.02 1.23 -0.25 0.00 0.00 175.52 175.48 1of9 h GLY 10 N 0.00 0.80 1.87 5.82 0.00 -1.11 -2.67 103.07 107.78 1of9 h GLY 10 Ca 0.54 -1.37 -0.22 0.00 0.00 0.00 0.00 47.33 46.28 1of9 h GLY 10 CO -0.01 1.21 -1.09 0.17 0.00 0.00 0.00 176.54 176.83 1of9 h LEU 11 N 0.41 0.05 0.84 3.11 8.10 0.70 -2.98 115.31 125.54 1of9 h LEU 11 Ca -0.12 -0.06 -0.04 0.00 0.11 0.00 0.00 57.88 57.77 1of9 h LEU 11 Cb 1.67 -0.02 0.01 0.00 -0.44 0.00 0.00 40.66 41.88 1of9 h LEU 11 CO 0.20 1.05 -0.41 0.40 -4.11 0.00 0.00 178.44 175.57 1of9 h ILE 12 N 0.01 0.17 -0.57 0.15 1.08 -0.03 0.45 117.51 118.78 1of9 h ILE 12 Ca -0.05 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.51 1of9 h ILE 12 Cb 1.81 0.17 -0.07 0.00 -3.07 0.00 0.00 36.82 35.66 1of9 h ILE 12 CO 0.13 0.00 0.20 0.78 -0.69 0.00 0.00 178.15 178.57 1of9 h ASN 13 N -1.13 0.18 0.49 1.72 4.21 -1.59 0.66 115.58 120.13 1of9 h ASN 13 Ca -0.11 0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.47 1of9 h ASN 13 Cb 0.87 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.13 1of9 h ASN 13 CO 0.19 0.12 0.00 1.07 -1.29 0.00 0.00 177.43 177.51 1of9 n THR 14 N -5.01 1.05 0.07 2.81 5.66 -1.07 -1.42 114.28 116.36 1of9 n THR 14 Ca 0.07 0.30 -0.03 0.00 -3.05 0.00 0.00 64.05 61.35 1of9 n THR 14 Cb 0.25 -1.16 -0.07 0.00 -1.55 0.00 0.00 70.33 67.81 1of9 n THR 14 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1of9 h LEU 15 N 0.00 0.00 -2.39 1.09 4.07 0.51 -2.93 115.31 115.67 1of9 h LEU 15 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1of9 h LEU 15 Cb 0.25 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.99 1of9 h LEU 15 CO 0.00 0.76 -0.02 -0.33 -1.08 0.00 0.00 178.44 177.78 1of9 h GLU 16 N 0.00 0.00 -0.01 1.13 5.08 -0.48 0.14 114.58 120.44 1of9 h GLU 16 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1of9 h GLU 16 Cb 1.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.90 1of9 h GLU 16 CO 0.09 0.02 -0.34 -1.71 -1.00 0.00 0.00 179.01 176.07 1of9 n ASN 17 N -3.86 1.84 0.00 1.42 2.85 -1.22 -4.52 115.26 111.77 1of9 n ASN 17 Ca -0.03 -1.42 0.00 0.00 -0.11 0.00 0.00 54.58 53.02 1of9 n ASN 17 Cb 0.10 0.42 0.00 0.00 1.24 0.00 0.00 39.78 41.54 1of9 n ASN 17 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1of9 n LEU 18 N 0.04 0.00 -0.05 1.20 7.94 0.51 -4.70 117.00 121.93 1of9 n LEU 18 Ca 0.08 0.09 -0.11 0.00 -1.11 0.00 0.00 56.01 54.95 1of9 n LEU 18 Cb 0.39 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.30 1of9 n LEU 18 CO 0.21 0.00 -0.74 0.18 -1.11 0.00 0.00 177.39 175.94 1of9 n LEU 19 N -0.15 1.25 -3.07 -1.96 4.32 -1.26 -4.97 117.00 111.17 1of9 n LEU 19 Ca 0.00 0.21 -0.08 0.00 -0.02 0.00 0.00 56.01 56.12 1of9 n LEU 19 Cb 0.00 -0.48 -0.02 0.00 -1.62 0.00 0.00 43.42 41.30 1of9 n LEU 19 CO 0.00 -0.03 -0.10 0.41 -1.22 0.00 0.00 177.39 176.46 1of9 n THR 20 N -3.81 -0.29 0.00 -5.08 -1.04 -1.26 -3.63 114.28 99.17 1of9 n THR 20 Ca -0.20 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 1of9 n THR 20 Cb 0.53 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 1of9 n THR 20 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1of9 n THR 21 N -1.83 0.00 0.00 12.58 5.66 -1.26 -5.03 114.28 124.40 1of9 n THR 21 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1of9 n THR 21 Cb 0.15 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.93 1of9 n THR 21 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1of9 n LYS 22 N 0.00 0.00 0.00 1.09 5.02 -1.24 -5.04 118.16 117.99 1of9 n LYS 22 Ca 0.00 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1of9 n LYS 22 Cb 0.00 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 1of9 n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1of9 n GLY 23 N 1.07 1.66 0.00 0.72 0.00 -1.26 -5.08 105.19 102.31 1of9 n GLY 23 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.00 0.00 -0.01 4.61 0.00 -1.26 -4.61 120.51 116.24 1of9 n ALA 24 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.67 1of9 n ALA 24 Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.17 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 0.13 0.00 0.98 0.00 5.19 -2.01 2.05 116.42 122.76 1of9 h ASP 25 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1of9 h ASP 25 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1of9 h ASP 25 CO 0.00 0.00 0.00 0.50 -3.12 0.00 0.00 179.24 176.62 1of9 h LYS 26 N 0.00 0.00 0.14 3.56 1.63 -1.99 -3.03 116.57 116.87 1of9 h LYS 26 Ca 0.28 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.07 1of9 h LYS 26 Cb 1.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1of9 h LYS 26 CO -0.00 0.00 -0.07 -0.24 -3.45 0.00 0.00 179.45 175.69 1of9 h VAL 27 N 0.00 0.96 0.00 2.00 3.04 0.29 -1.43 116.25 121.12 1of9 h VAL 27 Ca 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 1of9 h VAL 27 Cb 0.49 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.98 1of9 h VAL 27 CO 0.00 0.09 0.00 0.07 -1.01 0.00 0.00 177.57 176.72 1of9 h LYS 28 N -0.37 0.00 0.01 4.17 2.10 -1.59 0.34 116.57 121.23 1of9 h LYS 28 Ca -0.02 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.44 1of9 h LYS 28 Cb 0.29 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.61 1of9 h LYS 28 CO 0.03 0.00 -0.88 0.22 -2.00 0.00 0.00 179.45 176.82 1of9 h ASP 29 N 0.00 0.13 0.66 7.07 1.82 -1.31 -2.52 116.42 122.27 1of9 h ASP 29 Ca 0.00 -0.11 -0.16 0.00 -0.39 0.00 0.00 57.03 56.38 1of9 h ASP 29 Cb 0.16 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.11 1of9 h ASP 29 CO 0.00 0.94 -1.45 0.00 -1.61 0.00 0.00 179.24 177.12 1of9 n TYR 30 N -3.59 0.90 0.18 0.28 4.19 0.07 -3.66 117.16 115.53 1of9 n TYR 30 Ca -0.02 0.30 0.06 0.00 3.31 0.00 0.00 57.90 61.54 1of9 n TYR 30 Cb 0.82 -1.05 0.28 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 0.82 -0.04 2.97 2.04 -0.46 -2.80 117.51 120.04 1of9 h ILE 31 Ca -0.16 -1.64 -0.05 0.00 1.00 0.00 0.00 64.86 64.02 1of9 h ILE 31 Cb 1.54 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.65 1of9 h ILE 31 CO 0.04 0.38 -0.16 0.28 0.00 0.00 0.00 178.15 178.69 1of9 h SER 32 N 0.00 0.20 -0.50 1.72 0.02 -1.55 0.48 113.55 113.92 1of9 h SER 32 Ca -0.00 -0.65 0.05 0.00 -0.84 0.00 0.00 61.79 60.35 1of9 h SER 32 Cb 1.00 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.45 1of9 h SER 32 CO 0.05 0.81 0.33 0.28 -1.14 0.00 0.00 176.83 177.17 1of9 h SER 33 N -0.40 0.42 0.03 3.07 0.02 -1.62 1.87 113.55 116.94 1of9 h SER 33 Ca -0.01 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1of9 h SER 33 Cb 0.81 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1of9 h SER 33 CO 0.03 0.28 -0.24 -0.07 -1.14 0.00 0.00 176.83 175.70 1of9 h LEU 34 N 0.48 0.10 0.00 5.07 3.38 -1.45 -3.18 115.31 119.71 1of9 h LEU 34 Ca 0.21 -0.97 0.00 0.00 0.09 0.00 0.00 57.88 57.21 1of9 h LEU 34 Cb 0.23 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1of9 h LEU 34 CO -0.06 1.11 0.00 0.00 0.09 0.00 0.00 178.44 179.58 1of9 n ASN 36 N -1.35 4.23 -1.72 0.00 5.15 0.63 -2.63 115.26 119.57 1of9 n ASN 36 Ca 0.06 -2.22 -0.01 0.00 -0.60 0.00 0.00 54.58 51.82 1of9 n ASN 36 Cb 0.14 -0.99 0.03 0.00 -0.53 0.00 0.00 39.78 38.43 1of9 n ASN 36 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1of9 n LYS 37 N 3.56 0.35 0.00 1.20 2.85 -1.25 -5.00 118.16 119.87 1of9 n LYS 37 Ca 0.37 -0.34 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 1of9 n LYS 37 Cb 0.30 0.16 0.00 0.00 -0.65 0.00 0.00 35.03 34.84 1of9 n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1of9 n ALA 38 N -0.40 0.05 -4.48 0.58 0.00 -1.08 -4.91 120.51 110.27 1of9 n ALA 38 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.99 1of9 n ALA 38 Cb 0.59 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.95 1of9 n ALA 38 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1of9 n SER 39 N 0.00 -1.18 0.00 0.00 7.64 -1.26 -4.71 113.62 114.11 1of9 n SER 39 Ca 0.00 -1.25 0.00 0.00 1.01 0.00 0.00 58.87 58.63 1of9 n SER 39 Cb 0.00 -1.64 0.00 0.00 -1.01 0.00 0.00 64.21 61.56 1of9 n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1of9 n GLY 40 N -1.45 3.55 0.35 0.23 0.00 -1.26 -4.87 105.19 101.75 1of9 n GLY 40 Ca 0.01 -0.12 0.18 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.99 0.76 116.94 120.36 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 -0.53 -0.89 -2.02 0.00 0.00 178.31 174.87 1of9 n ILE 42 N -4.32 0.11 -0.34 1.41 -0.00 -1.26 -4.29 119.36 110.67 1of9 n ILE 42 Ca 0.06 -0.09 -0.09 0.00 -0.00 0.00 0.00 62.75 62.64 1of9 n ILE 42 Cb 0.48 0.09 -0.08 0.00 -0.00 0.00 0.00 39.64 40.13 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 -1.61 -0.52 0.24 -1.39 0.00 0.27 0.36 120.51 117.86 1of9 n ALA 43 Ca 0.05 0.69 0.09 0.00 0.00 0.00 0.00 53.44 54.27 1of9 n ALA 43 Cb 0.37 -0.12 0.60 0.00 0.00 0.00 0.00 19.45 20.30 1of9 n ALA 43 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1of9 h THR 44 N 0.00 0.78 -0.27 0.00 1.35 -1.75 -2.16 112.91 110.87 1of9 h THR 44 Ca 0.13 -0.75 -0.07 0.00 -0.55 0.00 0.00 66.41 65.17 1of9 h THR 44 Cb 0.34 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1of9 h THR 44 CO -0.77 0.18 -0.10 -0.07 -0.25 0.00 0.00 175.52 174.52 1of9 h LEU 45 N 0.00 0.55 0.51 3.87 3.38 0.62 0.21 115.31 124.45 1of9 h LEU 45 Ca -0.00 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1of9 h LEU 45 Cb 0.44 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.04 1of9 h LEU 45 CO 0.02 0.81 -0.25 0.00 0.09 0.00 0.00 178.44 179.12 1of9 n THR 47 N -5.38 1.53 -0.03 0.00 -1.04 -0.86 -1.79 114.28 106.71 1of9 n THR 47 Ca -0.12 0.47 -0.13 0.00 -2.04 0.00 0.00 64.05 62.23 1of9 n THR 47 Cb 0.29 -1.41 -0.08 0.00 -1.82 0.00 0.00 70.33 67.31 1of9 n THR 47 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1of9 h LYS 48 N 0.00 0.16 -0.18 -2.82 3.64 0.69 0.26 116.57 118.32 1of9 h LYS 48 Ca 0.00 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1of9 h LYS 48 Cb 0.08 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1of9 h LYS 48 CO 0.00 0.55 0.06 0.28 -2.27 0.00 0.00 179.45 178.07 1of9 h VAL 49 N -0.23 1.18 -0.04 2.00 2.07 -1.20 0.36 116.25 120.39 1of9 h VAL 49 Ca 0.02 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 66.98 1of9 h VAL 49 Cb 0.50 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1of9 h VAL 49 CO 0.01 0.18 -0.05 -0.07 0.02 0.00 0.00 177.57 177.66 1of9 h LEU 50 N 0.13 -0.16 -0.68 2.57 3.38 -1.53 1.58 115.31 120.60 1of9 h LEU 50 Ca 0.06 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1of9 h LEU 50 Cb 0.22 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1of9 h LEU 50 CO -0.00 -0.08 0.42 0.44 0.09 0.00 0.00 178.44 179.31 1of9 h ASP 51 N -0.07 0.69 0.05 -0.43 5.19 -0.31 -2.76 116.42 118.77 1of9 h ASP 51 Ca 0.04 -0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1of9 h ASP 51 Cb 0.12 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1of9 h ASP 51 CO -0.09 0.48 -0.02 0.15 -3.12 0.00 0.00 179.24 176.64 1of9 h PHE 52 N 0.83 -0.06 0.00 4.55 3.57 0.44 -3.49 116.94 122.78 1of9 h PHE 52 Ca 0.27 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1of9 h PHE 52 Cb 0.01 0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1of9 h PHE 52 CO -0.04 0.26 0.00 0.41 -2.23 0.00 0.00 178.31 176.71 1of9 n GLY 53 N -0.25 2.47 0.34 2.40 0.00 0.53 -4.71 105.19 105.98 1of9 n GLY 53 Ca -0.08 -0.80 0.22 0.00 0.00 0.00 0.00 46.02 45.36 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 0.39 -0.77 -0.61 5.03 -1.80 1.55 117.51 121.30 1of9 h ILE 54 Ca 0.00 -0.14 -0.03 0.00 -0.12 0.00 0.00 64.86 64.57 1of9 h ILE 54 Cb 0.00 -0.06 -0.04 0.00 -3.03 0.00 0.00 36.82 33.69 1of9 h ILE 54 CO 0.00 0.08 0.36 0.44 -0.68 0.00 0.00 178.15 178.35 1of9 h ASP 55 N 0.41 1.01 0.55 1.72 3.32 -1.92 -2.50 116.42 119.01 1of9 h ASP 55 Ca 0.70 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.60 1of9 h ASP 55 Cb 1.53 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 40.83 1of9 h ASP 55 CO -0.54 0.86 -0.26 0.11 -1.72 0.00 0.00 179.24 177.68 1of9 h LYS 56 N 1.10 -0.71 -0.93 3.56 1.79 0.19 0.15 116.57 121.72 1of9 h LYS 56 Ca 0.27 0.05 0.27 0.00 -2.18 0.00 0.00 60.65 59.06 1of9 h LYS 56 Cb 0.12 0.16 -0.15 0.00 -1.58 0.00 0.00 32.23 30.79 1of9 h LYS 56 CO -0.03 -0.47 0.35 -0.07 -1.08 0.00 0.00 179.45 178.14 1of9 h LEU 57 N -0.75 0.16 -0.55 2.94 3.38 -0.97 1.51 115.31 121.01 1of9 h LEU 57 Ca -0.08 0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 1of9 h LEU 57 Cb 0.57 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1of9 h LEU 57 CO 0.12 -0.17 -0.29 0.40 0.09 0.00 0.00 178.44 178.59 1of9 h ILE 58 N 0.23 1.27 -0.78 1.22 1.08 -0.98 -2.52 117.51 117.03 1of9 h ILE 58 Ca 0.63 -1.44 0.02 0.00 -0.39 0.00 0.00 64.86 63.67 1of9 h ILE 58 Cb 1.36 1.28 -0.04 0.00 -3.07 0.00 0.00 36.82 36.34 1of9 h ILE 58 CO -0.66 0.48 0.51 1.56 -0.69 0.00 0.00 178.15 179.35 1of9 h GLN 59 N 0.72 1.00 0.64 2.37 4.20 0.48 0.41 115.11 124.93 1of9 h GLN 59 Ca 0.08 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1of9 h GLN 59 Cb 0.84 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 28.40 1of9 h GLN 59 CO 0.07 0.66 -0.31 -0.07 -0.67 0.00 0.00 178.83 178.52 1of9 h LEU 60 N 1.03 -0.73 -0.70 1.46 3.38 -0.29 -0.98 115.31 118.48 1of9 h LEU 60 Ca 0.29 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.43 1of9 h LEU 60 Cb -0.08 0.19 -0.10 0.00 0.09 0.00 0.00 40.66 40.76 1of9 h LEU 60 CO -0.08 -0.52 0.21 -0.29 0.09 0.00 0.00 178.44 177.85 1of9 h ILE 61 N -0.86 0.61 -1.00 1.22 2.10 -1.18 0.36 117.51 118.77 1of9 h ILE 61 Ca -0.09 -0.11 0.11 0.00 1.08 0.00 0.00 64.86 65.85 1of9 h ILE 61 Cb 0.66 0.25 -0.08 0.00 -1.09 0.00 0.00 36.82 36.56 1of9 h ILE 61 CO 0.14 0.06 0.63 -0.33 -1.08 0.00 0.00 178.15 177.58 1of9 h GLU 62 N 0.33 0.99 0.40 2.19 4.39 -0.53 -2.84 114.58 119.52 1of9 h GLU 62 Ca 0.38 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 60.00 1of9 h GLU 62 Cb 0.59 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1of9 h GLU 62 CO -0.43 0.66 -0.19 0.22 -1.16 0.00 0.00 179.01 178.10 1of9 h ASP 63 N 1.02 -0.46 0.00 1.42 1.82 0.92 -3.47 116.42 117.67 1of9 h ASP 63 Ca 0.48 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 57.14 1of9 h ASP 63 Cb 0.43 0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.56 1of9 h ASP 63 CO -0.24 -0.15 0.00 0.29 -1.61 0.00 0.00 179.24 177.53 1of9 n LYS 64 N -4.45 0.00 -3.73 0.28 4.76 0.62 -5.11 118.16 110.53 1of9 n LYS 64 Ca -0.07 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 54.99 1of9 n LYS 64 Cb 0.21 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.28 1of9 n LYS 64 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1of9 s VAL 65 N 0.00 3.85 0.95 -0.18 1.01 -0.64 -4.96 120.40 120.44 1of9 s VAL 65 Ca 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 61.98 60.72 1of9 s VAL 65 Cb 0.00 -3.20 0.19 0.00 0.00 0.00 0.00 36.38 33.37 1of9 s VAL 65 CO 0.00 -0.21 0.42 0.47 0.00 0.00 0.00 175.10 175.78 1of9 n ASP 66 N 4.83 -3.02 0.06 3.32 9.92 -1.26 -3.82 116.55 126.57 1of9 n ASP 66 Ca -0.12 -0.42 -0.08 0.00 -0.53 0.00 0.00 54.79 53.64 1of9 n ASP 66 Cb 0.45 -0.72 -0.12 0.00 -0.64 0.00 0.00 41.12 40.08 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 -2.78 0.35 0.01 2.24 0.00 -1.96 -2.78 119.26 114.34 1of9 h ALA 67 Ca -0.19 -0.93 -0.00 0.00 0.00 0.00 0.00 54.91 53.79 1of9 h ALA 67 Cb 0.64 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1of9 h ALA 67 CO 0.11 1.24 -0.00 -0.97 0.00 0.00 0.00 179.25 179.63 1of9 h ASN 68 N 0.01 -0.01 -0.90 0.00 -1.24 -1.90 -1.17 115.58 110.37 1of9 h ASN 68 Ca -0.03 -0.81 0.18 0.00 0.71 0.00 0.00 56.30 56.35 1of9 h ASN 68 Cb 1.80 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.78 1of9 h ASN 68 CO 0.13 0.87 0.59 0.00 -1.29 0.00 0.00 177.43 177.74 1of9 h ALA 69 N -0.11 2.04 -0.03 1.57 0.00 -1.91 0.59 119.26 121.41 1of9 h ALA 69 Ca -0.00 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1of9 h ALA 69 Cb 0.82 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1of9 h ALA 69 CO 0.00 -0.32 -0.28 0.82 0.00 0.00 0.00 179.25 179.46 1of9 h ILE 70 N 0.52 1.47 0.00 0.00 1.08 -1.55 -2.75 117.51 116.28 1of9 h ILE 70 Ca 0.47 -1.80 0.00 0.00 -0.39 0.00 0.00 64.86 63.14 1of9 h ILE 70 Cb 1.01 2.51 0.00 0.00 -3.07 0.00 0.00 36.82 37.27 1of9 h ILE 70 CO -0.20 0.50 0.00 0.00 -0.69 0.00 0.00 178.15 177.76 1of9 h ALA 72 N 2.09 -0.12 -0.00 0.00 0.00 0.34 1.71 119.26 123.29 1of9 h ALA 72 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1of9 h ALA 72 Cb 0.11 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1of9 h ALA 72 CO 0.00 0.50 -0.00 -0.22 0.00 0.00 0.00 179.25 179.53 1of9 h LYS 73 N -0.16 -0.00 0.00 0.00 3.11 -0.83 0.37 116.57 119.05 1of9 h LYS 73 Ca -0.18 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.66 1of9 h LYS 73 Cb 1.84 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.07 1of9 h LYS 73 CO 0.20 -0.00 0.00 0.44 -2.81 0.00 0.00 179.45 177.28 1of9 n ILE 74 N -2.52 1.35 -2.45 2.00 -0.00 -1.20 -4.86 119.36 111.68 1of9 n ILE 74 Ca -0.00 0.34 -0.04 0.00 -0.00 0.00 0.00 62.75 63.05 1of9 n ILE 74 Cb 0.00 -1.29 0.00 0.00 -0.00 0.00 0.00 39.64 38.35 1of9 n ILE 74 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 1of9 n HIS 75 N -1.37 -2.73 -3.18 4.28 -0.00 0.13 -4.91 115.22 107.43 1of9 n HIS 75 Ca 0.01 1.15 -0.23 0.00 -0.00 0.00 0.00 57.72 58.65 1of9 n HIS 75 Cb 0.03 -3.39 -0.06 0.00 -0.00 0.00 0.00 29.99 26.56 1of9 n HIS 75 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1of9 n ALA 76 N -0.00 2.10 -0.78 1.57 0.00 0.58 -4.87 120.51 119.11 1of9 n ALA 76 Ca 0.05 -3.12 0.00 0.00 0.00 0.00 0.00 53.44 50.37 1of9 n ALA 76 Cb 0.20 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1of9 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50