#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 0.00 -0.44 1.61 1.02 -1.26 0.15 120.64 121.72 1of9 n GLU 2 Ca 0.00 0.71 0.36 0.00 -0.02 0.00 0.00 57.16 58.21 1of9 n GLU 2 Cb 0.00 -1.20 0.59 0.00 -0.02 0.00 0.00 31.44 30.82 1of9 n GLU 2 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1of9 n ILE 3 N -1.91 -0.16 0.31 -3.67 2.08 -1.26 0.11 119.36 114.86 1of9 n ILE 3 Ca 0.00 1.45 -0.12 0.00 0.56 0.00 0.00 62.75 64.64 1of9 n ILE 3 Cb 0.00 -2.38 -0.06 0.00 -0.75 0.00 0.00 39.64 36.45 1of9 n ILE 3 CO 0.00 0.00 0.00 0.25 0.56 0.00 0.00 176.55 177.36 1of9 h LEU 4 N 0.00 -0.66 0.00 1.39 5.85 0.87 -3.46 115.31 119.30 1of9 h LEU 4 Ca 0.75 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.49 1of9 h LEU 4 Cb 2.55 0.17 0.00 0.00 0.37 0.00 0.00 40.66 43.75 1of9 h LEU 4 CO -0.30 -0.46 0.00 0.00 -0.34 0.00 0.00 178.44 177.33 1of9 n ASN 6 N -1.45 0.10 0.00 0.00 2.85 -1.09 -0.31 115.26 115.36 1of9 n ASN 6 Ca 0.00 1.02 0.00 0.00 -0.11 0.00 0.00 54.58 55.49 1of9 n ASN 6 Cb 0.00 -0.50 0.00 0.00 1.24 0.00 0.00 39.78 40.52 1of9 n ASN 6 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1of9 n LEU 7 N -4.03 0.00 0.00 1.20 -0.00 -0.43 -1.59 117.00 112.15 1of9 n LEU 7 Ca 0.35 0.82 0.00 0.00 -0.00 0.00 0.00 56.01 57.18 1of9 n LEU 7 Cb 1.49 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 44.59 1of9 n LEU 7 CO 0.25 -0.32 0.00 0.00 -0.00 0.00 0.00 177.39 177.32 1of9 n THR 9 N -2.08 0.00 0.01 0.00 -1.04 0.46 0.27 114.28 111.90 1of9 n THR 9 Ca 0.00 1.36 -0.18 0.00 -2.04 0.00 0.00 64.05 63.19 1of9 n THR 9 Cb 0.00 -2.29 -0.12 0.00 -1.82 0.00 0.00 70.33 66.11 1of9 n THR 9 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1of9 h GLY 10 N 0.00 0.43 1.79 3.41 0.00 -0.52 -3.01 103.07 105.16 1of9 h GLY 10 Ca 0.82 -0.80 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 1of9 h GLY 10 CO -0.01 0.71 -0.56 0.17 0.00 0.00 0.00 176.54 176.84 1of9 h LEU 11 N -0.16 0.25 0.39 3.11 8.10 0.39 -3.01 115.31 124.38 1of9 h LEU 11 Ca -0.08 -0.13 -0.01 0.00 0.11 0.00 0.00 57.88 57.77 1of9 h LEU 11 Cb 1.36 -0.07 -0.02 0.00 -0.44 0.00 0.00 40.66 41.48 1of9 h LEU 11 CO 0.12 0.76 -0.39 0.40 -4.11 0.00 0.00 178.44 175.23 1of9 h ILE 12 N 0.17 0.22 -0.79 0.15 1.08 0.15 0.36 117.51 118.85 1of9 h ILE 12 Ca -0.00 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.67 1of9 h ILE 12 Cb 1.04 0.22 -0.04 0.00 -3.07 0.00 0.00 36.82 34.96 1of9 h ILE 12 CO 0.09 0.00 0.55 0.78 -0.69 0.00 0.00 178.15 178.87 1of9 h ASN 13 N -0.80 0.18 0.34 1.72 4.21 -1.51 0.75 115.58 120.47 1of9 h ASN 13 Ca -0.03 0.02 -0.11 0.00 1.21 0.00 0.00 56.30 57.39 1of9 h ASN 13 Cb 0.71 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.88 1of9 h ASN 13 CO -0.06 0.08 -0.45 0.74 -1.29 0.00 0.00 177.43 176.45 1of9 h THR 14 N 0.18 1.33 0.00 2.81 2.02 -0.93 -2.22 112.91 116.09 1of9 h THR 14 Ca 0.39 -1.59 -0.03 0.00 0.77 0.00 0.00 66.41 65.94 1of9 h THR 14 Cb 1.26 1.79 -0.00 0.00 -1.74 0.00 0.00 68.15 69.46 1of9 h THR 14 CO -0.07 0.47 -0.14 -0.07 0.37 0.00 0.00 175.52 176.07 1of9 h LEU 15 N 0.11 0.00 -1.60 2.58 3.38 0.25 2.19 115.31 122.23 1of9 h LEU 15 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1of9 h LEU 15 Cb 0.84 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1of9 h LEU 15 CO 0.06 0.14 -0.17 -0.33 0.09 0.00 0.00 178.44 178.24 1of9 h GLU 16 N 0.00 0.05 0.00 1.13 5.08 -1.07 -3.05 114.58 116.71 1of9 h GLU 16 Ca -0.00 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1of9 h GLU 16 Cb 0.44 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1of9 h GLU 16 CO 0.02 0.22 -1.47 -1.71 -1.00 0.00 0.00 179.01 175.07 1of9 n ASN 17 N -4.32 2.95 0.00 1.42 2.85 -0.68 -4.16 115.26 113.31 1of9 n ASN 17 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 1of9 n ASN 17 Cb 0.25 1.16 0.00 0.00 1.24 0.00 0.00 39.78 42.42 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 -1.99 0.00 -0.10 1.20 7.94 0.73 -4.13 117.00 120.65 1of9 n LEU 18 Ca -0.06 0.37 -0.13 0.00 -1.11 0.00 0.00 56.01 55.09 1of9 n LEU 18 Cb 0.43 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.26 1of9 n LEU 18 CO 0.18 0.00 -1.17 0.18 -1.11 0.00 0.00 177.39 175.48 1of9 n LEU 19 N -0.77 1.74 -4.14 -1.96 4.32 -1.25 -5.00 117.00 109.95 1of9 n LEU 19 Ca 0.00 -0.07 -0.29 0.00 -0.02 0.00 0.00 56.01 55.63 1of9 n LEU 19 Cb 0.00 -0.28 -0.05 0.00 -1.62 0.00 0.00 43.42 41.47 1of9 n LEU 19 CO 0.00 0.69 -0.30 1.07 -1.22 0.00 0.00 177.39 177.63 1of9 n THR 20 N -2.95 -2.00 -0.64 -5.08 5.66 -1.24 -4.27 114.28 103.76 1of9 n THR 20 Ca -0.35 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.21 1of9 n THR 20 Cb 0.99 -1.88 0.00 0.00 -1.55 0.00 0.00 70.33 67.89 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 -4.45 -1.59 0.00 1.09 -1.04 -1.26 -5.06 114.28 101.97 1of9 n THR 21 Ca -0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1of9 n THR 21 Cb 0.66 -2.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.10 1of9 n THR 21 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1of9 n LYS 22 N 0.62 0.00 0.00 -2.82 5.02 -1.26 -5.00 118.16 114.72 1of9 n LYS 22 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1of9 n LYS 22 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 0.00 0.00 3.10 0.72 0.00 -1.26 -5.01 105.19 102.74 1of9 n GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.18 0.00 0.10 4.61 0.00 -1.26 -4.83 120.51 116.95 1of9 n ALA 24 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1of9 n ALA 24 Cb 0.13 -0.09 -0.14 0.00 0.00 0.00 0.00 19.45 19.35 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 0.42 0.60 0.00 3.32 -2.01 -3.12 116.42 115.63 1of9 h ASP 25 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.58 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 1.37 0.00 1.17 -1.72 0.00 0.00 179.24 180.06 1of9 n LYS 26 N -3.51 0.18 0.09 3.56 3.00 -1.26 -1.88 118.16 118.32 1of9 n LYS 26 Ca -0.10 0.45 -0.12 0.00 -0.00 0.00 0.00 58.31 58.54 1of9 n LYS 26 Cb 1.03 -1.87 -0.08 0.00 0.00 0.00 0.00 35.03 34.11 1of9 n LYS 26 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 1of9 h VAL 27 N 0.00 0.85 0.00 3.15 3.04 -1.94 0.18 116.25 121.53 1of9 h VAL 27 Ca 0.00 -0.92 0.00 0.00 -1.01 0.00 0.00 66.70 64.77 1of9 h VAL 27 Cb 0.30 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1of9 h VAL 27 CO 0.00 0.19 0.00 0.07 -1.01 0.00 0.00 177.57 176.82 1of9 h LYS 28 N -0.77 0.00 0.08 4.17 5.09 -1.60 0.53 116.57 124.06 1of9 h LYS 28 Ca -0.03 0.00 -0.25 0.00 0.09 0.00 0.00 60.65 60.47 1of9 h LYS 28 Cb 0.51 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.84 1of9 h LYS 28 CO 0.04 0.00 -1.12 0.22 -2.09 0.00 0.00 179.45 176.50 1of9 h ASP 29 N 0.00 0.31 0.49 7.07 1.82 -1.23 -2.79 116.42 122.10 1of9 h ASP 29 Ca 0.00 -0.32 -0.28 0.00 -0.39 0.00 0.00 57.03 56.04 1of9 h ASP 29 Cb 0.48 -0.10 -0.05 0.00 0.68 0.00 0.00 39.33 40.34 1of9 h ASP 29 CO 0.00 1.22 -1.71 0.00 -1.61 0.00 0.00 179.24 177.15 1of9 n TYR 30 N -3.52 0.95 0.12 0.28 4.19 0.04 -3.33 117.16 115.88 1of9 n TYR 30 Ca -0.06 0.34 -0.00 0.00 3.31 0.00 0.00 57.90 61.49 1of9 n TYR 30 Cb 0.96 -1.16 0.28 0.00 0.49 0.00 0.00 39.34 39.91 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 1.28 0.06 2.97 2.04 -0.03 -0.02 117.51 123.80 1of9 h ILE 31 Ca -0.28 -1.34 -0.00 0.00 1.00 0.00 0.00 64.86 64.24 1of9 h ILE 31 Cb 1.97 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.65 1of9 h ILE 31 CO 0.07 0.40 -0.03 0.28 0.00 0.00 0.00 178.15 178.87 1of9 h SER 32 N 0.16 -0.06 -0.17 1.72 0.02 -1.61 0.45 113.55 114.06 1of9 h SER 32 Ca 0.02 -0.55 0.01 0.00 -0.84 0.00 0.00 61.79 60.43 1of9 h SER 32 Cb 0.70 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1of9 h SER 32 CO 0.05 0.55 0.11 -1.28 -1.14 0.00 0.00 176.83 175.13 1of9 h SER 33 N -0.73 0.17 0.04 3.07 0.87 -1.53 1.49 113.55 116.92 1of9 h SER 33 Ca -0.01 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 1of9 h SER 33 Cb 0.61 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1of9 h SER 33 CO 0.01 0.12 -0.28 -0.07 -0.53 0.00 0.00 176.83 176.08 1of9 h LEU 34 N 0.19 0.18 0.00 2.23 -0.00 -0.97 -3.14 115.31 113.81 1of9 h LEU 34 Ca 0.07 -0.94 0.00 0.00 -0.00 0.00 0.00 57.88 57.00 1of9 h LEU 34 Cb 0.03 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.63 1of9 h LEU 34 CO -0.01 1.10 0.00 0.00 -0.00 0.00 0.00 178.44 179.53 1of9 n ASN 36 N -1.21 4.17 -1.52 0.00 5.15 0.51 -2.48 115.26 119.87 1of9 n ASN 36 Ca 0.12 -2.21 -0.00 0.00 -0.60 0.00 0.00 54.58 51.89 1of9 n ASN 36 Cb 0.15 -0.99 0.00 0.00 -0.53 0.00 0.00 39.78 38.41 1of9 n ASN 36 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1of9 n LYS 37 N 3.32 0.01 0.00 1.20 0.00 -1.26 -5.00 118.16 116.44 1of9 n LYS 37 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 58.31 58.66 1of9 n LYS 37 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.42 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 -0.02 0.10 -4.16 3.14 0.00 -1.04 -4.91 120.51 113.63 1of9 n ALA 38 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.08 1of9 n ALA 38 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.10 0.00 0.00 2.88 -1.26 -4.69 113.62 109.45 1of9 n SER 39 Ca 0.00 -1.10 0.00 0.00 -1.33 0.00 0.00 58.87 56.44 1of9 n SER 39 Cb 0.00 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.06 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 -1.28 3.60 0.20 0.46 0.00 -1.26 -4.87 105.19 102.04 1of9 n GLY 40 Ca 0.02 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.34 116.94 118.26 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 0.29 -0.51 -0.89 -2.02 0.00 0.00 178.31 175.18 1of9 n ILE 42 N -4.19 0.10 -0.26 1.41 -0.00 -1.26 -4.31 119.36 110.84 1of9 n ILE 42 Ca -0.02 -0.08 -0.07 0.00 -0.00 0.00 0.00 62.75 62.58 1of9 n ILE 42 Cb 0.34 0.10 -0.06 0.00 -0.00 0.00 0.00 39.64 40.01 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 -0.40 0.25 -1.39 0.00 -0.50 0.35 120.51 117.22 1of9 n ALA 43 Ca 0.05 0.53 0.11 0.00 0.00 0.00 0.00 53.44 54.13 1of9 n ALA 43 Cb 0.37 -0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.48 1of9 n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1of9 h THR 44 N 0.00 0.70 -0.48 0.00 1.03 -1.75 -1.79 112.91 110.62 1of9 h THR 44 Ca 0.10 -0.61 -0.13 0.00 -0.01 0.00 0.00 66.41 65.76 1of9 h THR 44 Cb 0.26 1.38 -0.01 0.00 -1.07 0.00 0.00 68.15 68.70 1of9 h THR 44 CO -0.59 0.15 -0.21 -0.07 -0.01 0.00 0.00 175.52 174.79 1of9 h LEU 45 N 0.00 1.00 0.60 0.00 3.38 0.57 -0.17 115.31 120.70 1of9 h LEU 45 Ca -0.00 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1of9 h LEU 45 Cb 0.36 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.84 1of9 h LEU 45 CO 0.02 1.17 -0.29 0.00 0.09 0.00 0.00 178.44 179.43 1of9 h THR 47 N -1.18 0.00 0.28 0.00 2.02 -1.37 -0.36 112.91 112.29 1of9 h THR 47 Ca -0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1of9 h THR 47 Cb 0.64 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1of9 h THR 47 CO 0.14 0.00 -0.13 0.11 0.37 0.00 0.00 175.52 176.00 1of9 h LYS 48 N 0.00 -0.36 -0.67 6.66 1.79 -0.68 0.25 116.57 123.57 1of9 h LYS 48 Ca 0.00 0.02 0.09 0.00 -2.18 0.00 0.00 60.65 58.59 1of9 h LYS 48 Cb 0.52 0.08 -0.07 0.00 -1.58 0.00 0.00 32.23 31.18 1of9 h LYS 48 CO 0.00 -0.03 0.31 0.28 -1.08 0.00 0.00 179.45 178.93 1of9 h VAL 49 N -0.72 0.82 -0.08 0.50 2.07 -0.89 0.33 116.25 118.28 1of9 h VAL 49 Ca -0.04 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1of9 h VAL 49 Cb 0.49 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1of9 h VAL 49 CO 0.06 0.10 0.04 -0.07 0.02 0.00 0.00 177.57 177.72 1of9 h LEU 50 N 0.53 0.10 -1.44 2.57 3.38 -1.41 1.72 115.31 120.76 1of9 h LEU 50 Ca 0.33 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.30 1of9 h LEU 50 Cb 0.37 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1of9 h LEU 50 CO -0.28 0.16 0.48 -0.78 0.09 0.00 0.00 178.44 178.11 1of9 h ASP 51 N 0.03 0.58 0.04 -0.43 3.58 0.69 -2.87 116.42 118.03 1of9 h ASP 51 Ca 0.03 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 1of9 h ASP 51 Cb 0.08 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.03 1of9 h ASP 51 CO -0.00 0.35 -0.02 0.15 -2.88 0.00 0.00 179.24 176.84 1of9 h PHE 52 N 0.64 -0.05 0.00 0.28 3.57 0.40 -3.50 116.94 118.28 1of9 h PHE 52 Ca 0.33 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.83 1of9 h PHE 52 Cb 0.45 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1of9 h PHE 52 CO -0.00 0.26 0.00 0.41 -2.23 0.00 0.00 178.31 176.75 1of9 n GLY 53 N 1.56 2.69 0.36 2.40 0.00 0.58 -4.75 105.19 108.03 1of9 n GLY 53 Ca -0.04 -0.57 0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 0.42 -0.41 -0.61 5.03 -1.82 1.65 117.51 121.76 1of9 h ILE 54 Ca 0.00 -0.14 -0.08 0.00 -0.12 0.00 0.00 64.86 64.52 1of9 h ILE 54 Cb 0.00 -0.04 -0.02 0.00 -3.03 0.00 0.00 36.82 33.74 1of9 h ILE 54 CO 0.00 0.08 -0.07 0.44 -0.68 0.00 0.00 178.15 177.91 1of9 h ASP 55 N 0.42 0.68 0.46 1.72 5.19 -1.93 -2.73 116.42 120.22 1of9 h ASP 55 Ca 0.68 -0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 56.89 1of9 h ASP 55 Cb 1.55 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.88 1of9 h ASP 55 CO -0.48 0.80 -0.22 0.11 -3.12 0.00 0.00 179.24 176.32 1of9 h LYS 56 N 0.65 -0.59 -0.95 3.56 1.79 0.21 0.19 116.57 121.42 1of9 h LYS 56 Ca 0.12 0.04 0.27 0.00 -2.18 0.00 0.00 60.65 58.90 1of9 h LYS 56 Cb 0.51 0.13 -0.14 0.00 -1.58 0.00 0.00 32.23 31.15 1of9 h LYS 56 CO 0.03 -0.35 0.43 -0.07 -1.08 0.00 0.00 179.45 178.41 1of9 h LEU 57 N -0.70 0.32 -0.62 2.94 4.07 -1.00 1.62 115.31 121.94 1of9 h LEU 57 Ca -0.06 0.19 -0.15 0.00 0.08 0.00 0.00 57.88 57.94 1of9 h LEU 57 Cb 0.51 0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 1of9 h LEU 57 CO 0.10 -0.11 -0.53 0.40 -1.08 0.00 0.00 178.44 177.22 1of9 h ILE 58 N 0.31 1.33 -0.51 1.22 1.08 -1.13 -2.69 117.51 117.12 1of9 h ILE 58 Ca 0.64 -1.79 -0.04 0.00 -0.39 0.00 0.00 64.86 63.28 1of9 h ILE 58 Cb 1.37 1.80 -0.02 0.00 -3.07 0.00 0.00 36.82 36.89 1of9 h ILE 58 CO -0.61 0.55 0.16 1.56 -0.69 0.00 0.00 178.15 179.12 1of9 h GLN 59 N 0.34 0.76 0.70 2.37 4.20 0.53 -1.26 115.11 122.75 1of9 h GLN 59 Ca 0.01 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 1of9 h GLN 59 Cb 1.04 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.70 1of9 h GLN 59 CO 0.09 0.66 -0.34 -0.07 -0.67 0.00 0.00 178.83 178.51 1of9 h LEU 60 N 0.74 -0.80 -0.90 1.46 3.38 -0.30 -2.82 115.31 116.07 1of9 h LEU 60 Ca 0.17 0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.39 1of9 h LEU 60 Cb 0.22 0.21 -0.13 0.00 0.09 0.00 0.00 40.66 41.05 1of9 h LEU 60 CO -0.01 -0.43 0.37 -0.29 0.09 0.00 0.00 178.44 178.17 1of9 h ILE 61 N -1.21 0.42 -1.00 1.22 2.10 -1.37 0.85 117.51 118.52 1of9 h ILE 61 Ca -0.10 -0.12 0.18 0.00 1.08 0.00 0.00 64.86 65.90 1of9 h ILE 61 Cb 0.74 0.04 -0.10 0.00 -1.09 0.00 0.00 36.82 36.41 1of9 h ILE 61 CO 0.16 0.06 0.61 -0.33 -1.08 0.00 0.00 178.15 177.58 1of9 h GLU 62 N 0.35 0.78 0.10 2.19 4.39 -1.08 -2.87 114.58 118.44 1of9 h GLU 62 Ca 0.57 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 60.22 1of9 h GLU 62 Cb 1.13 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1of9 h GLU 62 CO -0.56 0.51 -0.05 0.22 -1.16 0.00 0.00 179.01 177.97 1of9 h ASP 63 N 0.80 -0.12 0.00 1.42 3.58 0.84 -3.48 116.42 119.47 1of9 h ASP 63 Ca 0.57 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.02 1of9 h ASP 63 Cb 0.83 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.91 1of9 h ASP 63 CO -0.37 0.14 0.00 1.17 -2.88 0.00 0.00 179.24 177.30 1of9 n LYS 64 N -3.60 0.00 -3.93 0.28 4.81 0.13 -5.12 118.16 110.72 1of9 n LYS 64 Ca -0.02 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.12 1of9 n LYS 64 Cb 0.05 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 34.95 1of9 n LYS 64 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1of9 s VAL 65 N 0.00 1.54 0.83 3.15 1.01 -1.19 -4.95 120.40 120.80 1of9 s VAL 65 Ca 0.00 -1.31 -0.10 0.00 0.00 0.00 0.00 61.98 60.57 1of9 s VAL 65 Cb 0.00 -1.85 0.16 0.00 0.00 0.00 0.00 36.38 34.69 1of9 s VAL 65 CO 0.00 -0.17 0.37 0.47 0.00 0.00 0.00 175.10 175.77 1of9 n ASP 66 N 4.65 -2.77 0.08 3.32 9.92 -1.26 -4.27 116.55 126.22 1of9 n ASP 66 Ca -0.10 -0.37 -0.19 0.00 -0.53 0.00 0.00 54.79 53.59 1of9 n ASP 66 Cb 0.44 -0.63 -0.11 0.00 -0.64 0.00 0.00 41.12 40.18 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 -2.62 0.11 0.03 2.24 0.00 -1.96 -2.34 119.26 114.71 1of9 h ALA 67 Ca -0.17 -0.75 -0.27 0.00 0.00 0.00 0.00 54.91 53.72 1of9 h ALA 67 Cb 0.57 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.44 1of9 h ALA 67 CO 0.10 0.74 -1.07 -0.91 0.00 0.00 0.00 179.25 178.11 1of9 h ASN 68 N 0.28 0.82 -0.37 0.00 2.35 -1.90 0.20 115.58 116.96 1of9 h ASN 68 Ca -0.15 -0.68 -0.01 0.00 -0.55 0.00 0.00 56.30 54.91 1of9 h ASN 68 Cb 1.80 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.90 1of9 h ASN 68 CO 0.21 1.48 0.20 0.00 -1.65 0.00 0.00 177.43 177.67 1of9 h ALA 69 N 0.46 1.61 0.00 -0.83 0.00 -1.89 0.90 119.26 119.50 1of9 h ALA 69 Ca -0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1of9 h ALA 69 Cb 1.72 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1of9 h ALA 69 CO 0.20 0.32 -0.20 0.82 0.00 0.00 0.00 179.25 180.39 1of9 h ILE 70 N 0.55 1.64 -0.05 0.00 1.08 -1.36 -2.86 117.51 116.51 1of9 h ILE 70 Ca 0.14 -2.31 0.02 0.00 -0.39 0.00 0.00 64.86 62.32 1of9 h ILE 70 Cb 0.04 3.18 -0.00 0.00 -3.07 0.00 0.00 36.82 36.97 1of9 h ILE 70 CO -0.02 0.56 0.06 0.00 -0.69 0.00 0.00 178.15 178.06 1of9 h ALA 72 N 1.92 0.30 -0.86 0.00 0.00 0.79 1.05 119.26 122.46 1of9 h ALA 72 Ca 0.02 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1of9 h ALA 72 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1of9 h ALA 72 CO -0.00 0.68 0.00 1.17 0.00 0.00 0.00 179.25 181.10 1of9 n LYS 73 N -3.93 0.00 0.01 0.00 4.81 0.38 -0.30 118.16 119.13 1of9 n LYS 73 Ca -0.08 0.58 0.01 0.00 -0.87 0.00 0.00 58.31 57.95 1of9 n LYS 73 Cb 0.76 -1.36 0.03 0.00 0.02 0.00 0.00 35.03 34.48 1of9 n LYS 73 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 1of9 n ILE 74 N -1.95 1.63 -2.51 3.15 -0.00 -1.14 -4.81 119.36 113.74 1of9 n ILE 74 Ca 0.00 0.52 -0.00 0.00 -0.00 0.00 0.00 62.75 63.26 1of9 n ILE 74 Cb 0.00 -1.52 0.00 0.00 -0.00 0.00 0.00 39.64 38.12 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 -1.47 -1.97 0.00 4.28 -0.00 0.59 -4.92 115.22 111.73 1of9 n HIS 75 Ca -0.00 0.75 0.00 0.00 -0.00 0.00 0.00 57.72 58.47 1of9 n HIS 75 Cb 0.08 -3.21 0.00 0.00 -0.00 0.00 0.00 29.99 26.87 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 -1.43 0.10 0.00 1.57 0.00 0.36 -4.89 120.51 116.22 1of9 n ALA 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1of9 n ALA 76 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1of9 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50