#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 0.42 0.17 1.61 0.28 -1.26 -5.00 120.64 116.86 1of9 n GLU 2 Ca 0.00 -1.05 -0.13 0.00 -0.16 0.00 0.00 57.16 55.82 1of9 n GLU 2 Cb 0.00 -0.32 -0.07 0.00 1.43 0.00 0.00 31.44 32.48 1of9 n GLU 2 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1of9 h ILE 3 N 1.10 0.00 -0.15 3.84 1.08 -1.96 -3.40 117.51 118.02 1of9 h ILE 3 Ca -0.31 0.00 -0.21 0.00 -0.39 0.00 0.00 64.86 63.95 1of9 h ILE 3 Cb 1.20 0.00 -0.21 0.00 -3.07 0.00 0.00 36.82 34.74 1of9 h ILE 3 CO -0.01 0.00 -0.50 -0.11 -0.69 0.00 0.00 178.15 176.84 1of9 n LEU 4 N -4.67 -0.88 -0.04 1.44 7.94 -1.26 -4.96 117.00 114.57 1of9 n LEU 4 Ca -0.08 -3.30 -0.05 0.00 -1.11 0.00 0.00 56.01 51.47 1of9 n LEU 4 Cb 0.33 0.16 -0.04 0.00 0.53 0.00 0.00 43.42 44.40 1of9 n LEU 4 CO 0.17 1.65 0.13 0.00 -1.11 0.00 0.00 177.39 178.23 1of9 h ASN 6 N -1.00 0.02 0.14 0.00 -1.24 -1.91 0.23 115.58 111.81 1of9 h ASN 6 Ca -0.00 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 1of9 h ASN 6 Cb 0.30 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.36 1of9 h ASN 6 CO 0.01 -0.01 -0.07 0.25 -1.29 0.00 0.00 177.43 176.32 1of9 h LEU 7 N 0.01 -0.16 0.00 0.34 6.46 -1.95 -0.60 115.31 119.41 1of9 h LEU 7 Ca 0.75 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.51 1of9 h LEU 7 Cb 2.97 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 42.94 1of9 h LEU 7 CO -0.03 -0.06 0.00 0.00 -0.62 0.00 0.00 178.44 177.73 1of9 h THR 9 N 0.00 0.03 0.02 0.00 1.35 -0.85 2.77 112.91 116.23 1of9 h THR 9 Ca 0.00 0.00 -0.27 0.00 -0.55 0.00 0.00 66.41 65.59 1of9 h THR 9 Cb 0.00 0.05 0.02 0.00 -1.73 0.00 0.00 68.15 66.49 1of9 h THR 9 CO 0.00 0.00 -1.07 1.23 -0.25 0.00 0.00 175.52 175.43 1of9 h GLY 10 N 0.00 0.72 1.25 5.82 0.00 0.23 -2.95 103.07 108.14 1of9 h GLY 10 Ca 0.45 -1.30 -0.31 0.00 0.00 0.00 0.00 47.33 46.17 1of9 h GLY 10 CO -0.00 1.15 -1.30 0.17 0.00 0.00 0.00 176.54 176.56 1of9 h LEU 11 N 0.35 0.87 -0.25 3.11 8.10 0.84 -3.15 115.31 125.17 1of9 h LEU 11 Ca -0.13 -0.83 0.06 0.00 0.11 0.00 0.00 57.88 57.09 1of9 h LEU 11 Cb 1.72 -0.28 -0.07 0.00 -0.44 0.00 0.00 40.66 41.59 1of9 h LEU 11 CO 0.21 1.63 -0.29 0.40 -4.11 0.00 0.00 178.44 176.28 1of9 h ILE 12 N 0.25 0.32 -0.64 0.15 1.08 -0.54 0.49 117.51 118.61 1of9 h ILE 12 Ca -0.20 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.40 1of9 h ILE 12 Cb 1.97 0.32 -0.04 0.00 -3.07 0.00 0.00 36.82 36.00 1of9 h ILE 12 CO 0.25 0.00 0.44 0.78 -0.69 0.00 0.00 178.15 178.92 1of9 h ASN 13 N -0.29 0.30 0.39 1.72 4.21 -1.60 0.40 115.58 120.71 1of9 h ASN 13 Ca 0.14 0.01 -0.10 0.00 1.21 0.00 0.00 56.30 57.56 1of9 h ASN 13 Cb 0.51 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.64 1of9 h ASN 13 CO -0.42 0.17 -0.45 0.74 -1.29 0.00 0.00 177.43 176.18 1of9 h THR 14 N 0.33 1.33 0.00 2.81 2.02 -0.12 -2.25 112.91 117.02 1of9 h THR 14 Ca 0.31 -1.57 -0.04 0.00 0.77 0.00 0.00 66.41 65.87 1of9 h THR 14 Cb 0.75 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1of9 h THR 14 CO -0.08 0.46 -0.19 -0.07 0.37 0.00 0.00 175.52 176.01 1of9 h LEU 15 N 0.07 0.00 -1.79 2.58 3.38 0.24 2.71 115.31 122.51 1of9 h LEU 15 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1of9 h LEU 15 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1of9 h LEU 15 CO 0.06 0.19 -0.06 -0.08 0.09 0.00 0.00 178.44 178.64 1of9 h GLU 16 N 0.00 0.06 0.00 1.13 4.81 -1.09 -3.02 114.58 116.46 1of9 h GLU 16 Ca -0.00 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1of9 h GLU 16 Cb 0.44 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1of9 h GLU 16 CO 0.02 0.12 -1.46 -1.71 -0.73 0.00 0.00 179.01 175.26 1of9 n ASN 17 N -4.43 3.11 0.00 1.04 5.15 -0.66 -4.18 115.26 115.29 1of9 n ASN 17 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1of9 n ASN 17 Cb 0.16 0.99 0.00 0.00 -0.53 0.00 0.00 39.78 40.40 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 -2.07 0.00 -0.10 1.20 7.94 0.90 -3.94 117.00 120.94 1of9 n LEU 18 Ca -0.08 0.31 -0.13 0.00 -1.11 0.00 0.00 56.01 55.01 1of9 n LEU 18 Cb 0.52 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.35 1of9 n LEU 18 CO 0.17 0.00 -1.16 0.18 -1.11 0.00 0.00 177.39 175.47 1of9 n LEU 19 N -0.73 1.72 -4.18 -1.96 4.32 -1.25 -5.00 117.00 109.92 1of9 n LEU 19 Ca 0.00 -0.07 -0.34 0.00 -0.02 0.00 0.00 56.01 55.58 1of9 n LEU 19 Cb 0.00 -0.27 -0.05 0.00 -1.62 0.00 0.00 43.42 41.48 1of9 n LEU 19 CO 0.00 0.69 -0.35 1.07 -1.22 0.00 0.00 177.39 177.58 1of9 n THR 20 N -2.94 -1.94 -0.62 -5.08 5.66 -1.24 -4.27 114.28 103.85 1of9 n THR 20 Ca -0.35 -0.54 0.00 0.00 -3.05 0.00 0.00 64.05 60.11 1of9 n THR 20 Cb 0.98 -1.71 0.00 0.00 -1.55 0.00 0.00 70.33 68.05 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 -4.65 -1.62 0.00 1.09 -1.04 -1.26 -5.06 114.28 101.74 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 -2.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.12 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 0.57 0.00 0.00 -2.82 5.02 -1.26 -4.99 118.16 114.68 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 3.09 0.72 0.00 -1.26 -5.01 105.19 102.73 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 -2.24 0.00 0.05 4.61 0.00 -1.26 -4.82 120.51 116.84 1of9 n ALA 24 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1of9 n ALA 24 Cb 0.12 -0.08 -0.13 0.00 0.00 0.00 0.00 19.45 19.36 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 0.07 0.77 0.00 5.19 -2.01 -3.14 116.42 117.31 1of9 h ASP 25 Ca 0.00 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1of9 h ASP 25 Cb 0.00 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.49 1of9 h ASP 25 CO 0.00 1.07 0.00 1.17 -3.12 0.00 0.00 179.24 178.36 1of9 n LYS 26 N -3.31 0.15 0.04 3.56 3.00 -1.26 -1.96 118.16 118.39 1of9 n LYS 26 Ca -0.05 0.35 -0.11 0.00 -0.00 0.00 0.00 58.31 58.49 1of9 n LYS 26 Cb 0.98 -1.77 -0.08 0.00 0.00 0.00 0.00 35.03 34.15 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 0.93 0.00 3.15 3.04 -1.94 -1.71 116.25 119.73 1of9 h VAL 27 Ca 0.00 -1.17 0.00 0.00 -1.01 0.00 0.00 66.70 64.52 1of9 h VAL 27 Cb 0.39 1.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 1of9 h VAL 27 CO 0.00 0.24 0.00 0.11 -1.01 0.00 0.00 177.57 176.91 1of9 h LYS 28 N -0.83 0.00 0.01 4.17 1.57 -1.63 0.58 116.57 120.45 1of9 h LYS 28 Ca -0.02 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.56 1of9 h LYS 28 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1of9 h LYS 28 CO 0.03 0.00 -0.91 0.22 -0.57 0.00 0.00 179.45 178.22 1of9 h ASP 29 N 0.00 0.20 0.32 0.86 1.82 -1.33 -2.69 116.42 115.60 1of9 h ASP 29 Ca 0.00 -0.17 -0.32 0.00 -0.39 0.00 0.00 57.03 56.15 1of9 h ASP 29 Cb 0.45 -0.06 -0.06 0.00 0.68 0.00 0.00 39.33 40.35 1of9 h ASP 29 CO 0.00 1.00 -1.95 0.00 -1.61 0.00 0.00 179.24 176.69 1of9 n TYR 30 N -3.60 0.66 0.22 0.28 4.19 -0.65 -3.89 117.16 114.37 1of9 n TYR 30 Ca -0.03 0.24 0.07 0.00 3.31 0.00 0.00 57.90 61.49 1of9 n TYR 30 Cb 0.84 -1.12 0.49 0.00 0.49 0.00 0.00 39.34 40.04 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 0.91 0.16 2.97 2.04 0.08 -2.47 117.51 121.19 1of9 h ILE 31 Ca -0.38 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.45 1of9 h ILE 31 Cb 2.09 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 1of9 h ILE 31 CO 0.06 0.26 -0.08 0.28 0.00 0.00 0.00 178.15 178.68 1of9 h SER 32 N 0.00 -0.18 -0.31 1.72 0.02 -1.61 0.51 113.55 113.70 1of9 h SER 32 Ca -0.00 -0.33 0.07 0.00 -0.84 0.00 0.00 61.79 60.69 1of9 h SER 32 Cb 0.58 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 63.10 1of9 h SER 32 CO 0.03 0.28 -0.17 -1.28 -1.14 0.00 0.00 176.83 174.56 1of9 h SER 33 N -0.70 -0.56 -0.11 3.07 0.87 -1.64 1.48 113.55 115.97 1of9 h SER 33 Ca -0.02 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1of9 h SER 33 Cb 0.50 0.30 -0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1of9 h SER 33 CO 0.04 -0.20 0.02 -0.07 -0.53 0.00 0.00 176.83 176.08 1of9 h LEU 34 N -0.13 0.17 -2.57 2.23 -0.00 -1.48 -1.68 115.31 111.85 1of9 h LEU 34 Ca 0.16 -0.25 0.01 0.00 -0.00 0.00 0.00 57.88 57.79 1of9 h LEU 34 Cb 0.37 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1of9 h LEU 34 CO -0.39 0.38 0.05 0.00 -0.00 0.00 0.00 178.44 178.49 1of9 n ASN 36 N -3.55 5.94 -2.67 0.00 2.85 0.50 -3.70 115.26 114.63 1of9 n ASN 36 Ca -0.02 -2.69 -0.06 0.00 -0.11 0.00 0.00 54.58 51.70 1of9 n ASN 36 Cb 0.13 -1.38 0.08 0.00 1.24 0.00 0.00 39.78 39.85 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 2.17 0.87 0.00 1.20 4.81 -0.95 -4.96 118.16 121.30 1of9 n LYS 37 Ca 0.48 -1.42 0.00 0.00 -0.87 0.00 0.00 58.31 56.50 1of9 n LYS 37 Cb 0.75 -0.01 0.00 0.00 0.02 0.00 0.00 35.03 35.79 1of9 n LYS 37 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1of9 n ALA 38 N -0.60 1.23 -4.18 3.14 0.00 -1.24 -5.01 120.51 113.85 1of9 n ALA 38 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.04 1of9 n ALA 38 Cb 0.78 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.16 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 -0.23 0.42 0.00 0.00 7.64 -1.26 -4.82 113.62 115.37 1of9 n SER 39 Ca 0.00 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.71 1of9 n SER 39 Cb 0.00 -2.16 0.00 0.00 -1.01 0.00 0.00 64.21 61.04 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 -2.33 3.49 0.36 0.23 0.00 -1.26 -4.89 105.19 100.79 1of9 n GLY 40 Ca -0.32 -0.47 0.19 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.03 1.22 116.94 120.78 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 -0.60 -0.89 -2.02 0.00 0.00 178.31 174.80 1of9 n ILE 42 N -3.70 0.15 -0.34 1.41 -0.00 -1.26 -4.30 119.36 111.32 1of9 n ILE 42 Ca 0.04 -0.13 -0.08 0.00 -0.00 0.00 0.00 62.75 62.58 1of9 n ILE 42 Cb 0.47 0.10 -0.07 0.00 -0.00 0.00 0.00 39.64 40.14 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 -1.66 -0.46 0.24 -1.39 0.00 0.42 0.38 120.51 118.03 1of9 n ALA 43 Ca 0.04 0.70 0.10 0.00 0.00 0.00 0.00 53.44 54.28 1of9 n ALA 43 Cb 0.39 -0.14 0.59 0.00 0.00 0.00 0.00 19.45 20.28 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 0.75 -0.24 0.00 2.02 -1.75 -0.88 112.91 112.82 1of9 h THR 44 Ca 0.15 -0.80 -0.09 0.00 0.77 0.00 0.00 66.41 66.44 1of9 h THR 44 Cb 0.35 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1of9 h THR 44 CO -0.77 0.19 -0.21 -0.07 0.37 0.00 0.00 175.52 175.03 1of9 h LEU 45 N 0.00 0.60 -0.14 2.58 3.38 0.67 0.18 115.31 122.58 1of9 h LEU 45 Ca -0.00 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 1of9 h LEU 45 Cb 0.47 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1of9 h LEU 45 CO 0.03 0.94 0.01 0.00 0.09 0.00 0.00 178.44 179.50 1of9 h THR 47 N -0.00 0.00 -0.31 0.00 1.03 -1.14 -2.32 112.91 110.17 1of9 h THR 47 Ca 0.04 -0.22 -0.07 0.00 -0.01 0.00 0.00 66.41 66.16 1of9 h THR 47 Cb 0.35 1.00 -0.01 0.00 -1.07 0.00 0.00 68.15 68.42 1of9 h THR 47 CO 0.01 0.00 -0.07 0.11 -0.01 0.00 0.00 175.52 175.55 1of9 h LYS 48 N 0.00 0.60 -0.17 0.00 1.57 0.12 0.17 116.57 118.85 1of9 h LYS 48 Ca 0.00 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1of9 h LYS 48 Cb 0.27 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1of9 h LYS 48 CO 0.00 0.78 0.07 0.28 -0.57 0.00 0.00 179.45 180.01 1of9 h VAL 49 N 0.37 1.16 -0.18 0.50 2.07 -1.29 0.46 116.25 119.33 1of9 h VAL 49 Ca 0.08 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1of9 h VAL 49 Cb 0.56 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1of9 h VAL 49 CO 0.03 0.15 0.06 -0.07 0.02 0.00 0.00 177.57 177.76 1of9 h LEU 50 N 0.12 0.07 -1.06 2.57 3.38 -1.45 1.14 115.31 120.07 1of9 h LEU 50 Ca 0.06 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1of9 h LEU 50 Cb 0.18 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1of9 h LEU 50 CO -0.00 0.06 0.49 0.44 0.09 0.00 0.00 178.44 179.52 1of9 h ASP 51 N 0.15 1.00 0.07 -0.43 5.19 -0.45 -2.85 116.42 119.09 1of9 h ASP 51 Ca 0.08 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1of9 h ASP 51 Cb 0.05 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.31 1of9 h ASP 51 CO -0.08 0.78 -0.03 0.15 -3.12 0.00 0.00 179.24 176.94 1of9 h PHE 52 N 1.15 -0.08 0.00 4.55 3.57 0.89 -3.49 116.94 123.52 1of9 h PHE 52 Ca 0.30 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.79 1of9 h PHE 52 Cb -0.03 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1of9 h PHE 52 CO 0.01 0.33 0.00 0.41 -2.23 0.00 0.00 178.31 176.83 1of9 n GLY 53 N 0.04 2.52 0.38 2.40 0.00 0.38 -4.75 105.19 106.17 1of9 n GLY 53 Ca -0.08 -0.75 0.24 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.72 -0.61 5.03 -1.80 1.61 117.51 121.44 1of9 h ILE 54 Ca 0.00 -0.13 -0.00 0.00 -0.12 0.00 0.00 64.86 64.61 1of9 h ILE 54 Cb 0.00 -0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 33.75 1of9 h ILE 54 CO 0.00 0.07 0.44 0.44 -0.68 0.00 0.00 178.15 178.42 1of9 h ASP 55 N 0.39 0.84 0.88 1.72 3.32 -1.92 -2.25 116.42 119.40 1of9 h ASP 55 Ca 0.67 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.64 1of9 h ASP 55 Cb 1.62 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 40.96 1of9 h ASP 55 CO -0.44 0.64 -0.42 0.11 -1.72 0.00 0.00 179.24 177.41 1of9 h LYS 56 N 0.98 -1.13 -1.08 3.56 1.79 0.20 -0.61 116.57 120.28 1of9 h LYS 56 Ca 0.26 0.08 0.38 0.00 -2.18 0.00 0.00 60.65 59.19 1of9 h LYS 56 Cb -0.06 0.26 -0.15 0.00 -1.58 0.00 0.00 32.23 30.69 1of9 h LYS 56 CO -0.05 -0.76 0.63 -0.07 -1.08 0.00 0.00 179.45 178.12 1of9 h LEU 57 N -1.26 0.38 -0.03 2.94 4.07 -1.16 1.28 115.31 121.52 1of9 h LEU 57 Ca -0.12 0.20 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 1of9 h LEU 57 Cb 0.90 0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.82 1of9 h LEU 57 CO 0.20 -0.25 0.01 0.40 -1.08 0.00 0.00 178.44 177.71 1of9 h ILE 58 N 0.15 1.21 -0.59 1.22 2.04 -0.95 -2.19 117.51 118.40 1of9 h ILE 58 Ca 0.80 -0.64 0.05 0.00 1.00 0.00 0.00 64.86 66.06 1of9 h ILE 58 Cb 2.09 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 39.71 1of9 h ILE 58 CO -0.62 0.17 0.31 -0.61 0.00 0.00 0.00 178.15 177.41 1of9 h GLN 59 N -0.20 0.58 -0.33 2.37 4.15 0.30 -1.26 115.11 120.71 1of9 h GLN 59 Ca 0.01 -0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.46 1of9 h GLN 59 Cb 0.27 -0.13 -0.07 0.00 0.21 0.00 0.00 27.48 27.77 1of9 h GLN 59 CO 0.00 0.38 -0.10 -0.07 -1.93 0.00 0.00 178.83 177.11 1of9 h LEU 60 N 0.59 -0.37 0.02 -2.39 3.38 -0.27 0.17 115.31 116.44 1of9 h LEU 60 Ca 0.26 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.37 1of9 h LEU 60 Cb 0.16 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1of9 h LEU 60 CO -0.17 -0.14 -0.26 0.40 0.09 0.00 0.00 178.44 178.36 1of9 h ILE 61 N -0.03 0.42 -0.94 1.22 1.08 -0.70 0.27 117.51 118.82 1of9 h ILE 61 Ca 0.16 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.82 1of9 h ILE 61 Cb 0.28 0.42 -0.08 0.00 -3.07 0.00 0.00 36.82 34.37 1of9 h ILE 61 CO -0.36 0.00 0.60 -0.33 -0.69 0.00 0.00 178.15 177.37 1of9 h GLU 62 N -0.41 0.57 0.29 2.37 4.39 -0.36 -2.51 114.58 118.92 1of9 h GLU 62 Ca 0.06 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1of9 h GLU 62 Cb 0.48 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1of9 h GLU 62 CO -0.21 0.38 -0.14 0.22 -1.16 0.00 0.00 179.01 178.10 1of9 h ASP 63 N 0.59 -0.33 0.00 1.42 3.58 0.11 -3.47 116.42 118.32 1of9 h ASP 63 Ca 0.50 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.96 1of9 h ASP 63 Cb 0.98 0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.11 1of9 h ASP 63 CO -0.24 -0.15 0.00 2.29 -2.88 0.00 0.00 179.24 178.25 1of9 n LYS 64 N -3.48 0.00 -3.86 0.28 2.85 0.77 -5.10 118.16 109.63 1of9 n LYS 64 Ca -0.05 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.86 1of9 n LYS 64 Cb 0.15 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.40 1of9 n LYS 64 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1of9 s VAL 65 N 0.00 3.04 0.94 0.58 1.01 -0.25 -4.97 120.40 120.75 1of9 s VAL 65 Ca 0.00 -1.85 -0.12 0.00 0.00 0.00 0.00 61.98 60.01 1of9 s VAL 65 Cb 0.00 -2.98 0.16 0.00 0.00 0.00 0.00 36.38 33.56 1of9 s VAL 65 CO 0.00 -0.47 0.32 0.47 0.00 0.00 0.00 175.10 175.43 1of9 n ASP 66 N 4.56 -2.94 0.11 3.32 8.00 -1.26 -3.83 116.55 124.50 1of9 n ASP 66 Ca -0.05 -0.37 -0.03 0.00 0.71 0.00 0.00 54.79 55.05 1of9 n ASP 66 Cb 0.42 -0.73 0.14 0.00 -0.02 0.00 0.00 41.12 40.94 1of9 n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1of9 h ALA 67 N -2.66 0.91 0.08 2.24 0.00 -1.93 -1.15 119.26 116.75 1of9 h ALA 67 Ca -0.20 -0.55 -0.16 0.00 0.00 0.00 0.00 54.91 54.00 1of9 h ALA 67 Cb 0.64 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1of9 h ALA 67 CO 0.12 0.74 -0.79 -0.97 0.00 0.00 0.00 179.25 178.35 1of9 h ASN 68 N 0.10 0.27 -0.98 0.00 -1.24 -1.88 -2.19 115.58 109.65 1of9 h ASN 68 Ca -0.01 -0.89 0.10 0.00 0.71 0.00 0.00 56.30 56.21 1of9 h ASN 68 Cb 1.10 -0.09 -0.08 0.00 0.73 0.00 0.00 38.32 39.98 1of9 h ASN 68 CO 0.09 1.35 0.62 0.00 -1.29 0.00 0.00 177.43 178.20 1of9 h ALA 69 N -0.04 1.53 -0.23 1.57 0.00 -1.87 0.63 119.26 120.86 1of9 h ALA 69 Ca -0.17 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 1of9 h ALA 69 Cb 1.46 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1of9 h ALA 69 CO 0.05 0.26 -0.51 0.97 0.00 0.00 0.00 179.25 180.02 1of9 h ILE 70 N 1.01 1.30 0.00 0.00 -0.00 -1.30 -2.24 117.51 116.28 1of9 h ILE 70 Ca 0.46 -1.72 0.00 0.00 -0.00 0.00 0.00 64.86 63.60 1of9 h ILE 70 Cb 0.40 1.80 0.00 0.00 -0.00 0.00 0.00 36.82 39.02 1of9 h ILE 70 CO -0.22 0.55 0.00 0.00 -0.00 0.00 0.00 178.15 178.48 1of9 h ALA 72 N 2.86 0.18 0.17 0.00 0.00 0.79 1.55 119.26 124.81 1of9 h ALA 72 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1of9 h ALA 72 Cb 0.18 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1of9 h ALA 72 CO 0.00 1.05 -0.37 -0.22 0.00 0.00 0.00 179.25 179.71 1of9 h LYS 73 N 0.10 -0.57 0.00 0.00 3.11 -1.17 0.34 116.57 118.37 1of9 h LYS 73 Ca -0.33 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.55 1of9 h LYS 73 Cb 2.09 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 33.45 1of9 h LYS 73 CO 0.17 -0.38 0.00 0.44 -2.81 0.00 0.00 179.45 176.87 1of9 n ILE 74 N -4.59 0.47 -2.84 2.00 -0.00 -1.24 -4.87 119.36 108.29 1of9 n ILE 74 Ca -0.07 0.12 -0.03 0.00 -0.00 0.00 0.00 62.75 62.77 1of9 n ILE 74 Cb 0.30 -0.92 0.00 0.00 -0.00 0.00 0.00 39.64 39.03 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 -1.20 -2.95 -3.29 4.28 -0.00 0.12 -4.96 115.22 107.21 1of9 n HIS 75 Ca 0.07 1.16 -0.25 0.00 -0.00 0.00 0.00 57.72 58.69 1of9 n HIS 75 Cb 0.08 -3.89 -0.07 0.00 -0.00 0.00 0.00 29.99 26.11 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 -1.05 3.39 -1.32 1.57 0.00 0.53 -4.94 120.51 118.69 1of9 n ALA 76 Ca 0.05 -4.18 0.00 0.00 0.00 0.00 0.00 53.44 49.31 1of9 n ALA 76 Cb 0.46 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1of9 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50