#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 0.00 1.61 2.13 -1.26 -4.87 120.64 118.25 1of9 n GLU 2 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 1of9 n GLU 2 Cb 0.00 -1.40 -0.02 0.00 0.27 0.00 0.00 31.44 30.29 1of9 n GLU 2 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1of9 h ILE 3 N 0.00 1.32 0.00 6.31 5.03 -1.95 -3.42 117.51 124.79 1of9 h ILE 3 Ca 0.00 -2.00 -0.12 0.00 -0.12 0.00 0.00 64.86 62.62 1of9 h ILE 3 Cb 0.00 1.99 -0.12 0.00 -3.03 0.00 0.00 36.82 35.66 1of9 h ILE 3 CO 0.00 0.62 -0.02 -0.11 -0.68 0.00 0.00 178.15 177.96 1of9 n LEU 4 N -3.91 -1.41 -0.26 1.44 -0.00 -1.26 -5.01 117.00 106.58 1of9 n LEU 4 Ca -0.06 -2.12 0.07 0.00 -0.00 0.00 0.00 56.01 53.91 1of9 n LEU 4 Cb 0.71 0.92 0.20 0.00 -0.00 0.00 0.00 43.42 45.25 1of9 n LEU 4 CO 0.51 1.66 0.90 0.00 -0.00 0.00 0.00 177.39 180.46 1of9 h ASN 6 N 0.20 0.00 0.00 0.00 -1.24 -1.95 -0.92 115.58 111.67 1of9 h ASN 6 Ca 0.45 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.46 1of9 h ASN 6 Cb 0.81 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.86 1of9 h ASN 6 CO -0.59 0.00 0.00 -0.11 -1.29 0.00 0.00 177.43 175.44 1of9 n LEU 7 N -3.69 0.18 0.00 0.34 7.94 0.42 -0.94 117.00 121.26 1of9 n LEU 7 Ca 0.32 0.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.32 1of9 n LEU 7 Cb 1.67 0.00 0.00 0.00 0.53 0.00 0.00 43.42 45.62 1of9 n LEU 7 CO 0.35 0.00 0.39 0.00 -1.11 0.00 0.00 177.39 177.03 1of9 n THR 9 N -2.01 0.00 -0.00 0.00 -2.24 -0.40 0.34 114.28 109.96 1of9 n THR 9 Ca 0.00 1.32 -0.18 0.00 -2.27 0.00 0.00 64.05 62.92 1of9 n THR 9 Cb 0.00 -2.24 -0.09 0.00 -2.10 0.00 0.00 70.33 65.90 1of9 n THR 9 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1of9 h GLY 10 N 0.00 0.75 1.24 3.38 0.00 0.27 -2.99 103.07 105.72 1of9 h GLY 10 Ca 0.74 -1.16 -0.24 0.00 0.00 0.00 0.00 47.33 46.68 1of9 h GLY 10 CO -0.01 1.03 -0.89 0.17 0.00 0.00 0.00 176.54 176.83 1of9 h LEU 11 N 0.35 0.89 -0.40 3.11 8.10 0.88 -3.16 115.31 125.07 1of9 h LEU 11 Ca -0.07 -0.64 0.08 0.00 0.11 0.00 0.00 57.88 57.36 1of9 h LEU 11 Cb 1.43 -0.27 -0.09 0.00 -0.44 0.00 0.00 40.66 41.30 1of9 h LEU 11 CO 0.16 1.44 -0.23 0.40 -4.11 0.00 0.00 178.44 176.10 1of9 h ILE 12 N 0.45 0.36 -0.73 0.15 1.08 -0.52 0.65 117.51 118.96 1of9 h ILE 12 Ca -0.08 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.52 1of9 h ILE 12 Cb 1.53 0.36 -0.05 0.00 -3.07 0.00 0.00 36.82 35.59 1of9 h ILE 12 CO 0.18 0.00 0.49 0.78 -0.69 0.00 0.00 178.15 178.90 1of9 h ASN 13 N -0.16 0.39 0.28 1.72 4.21 -1.55 0.38 115.58 120.85 1of9 h ASN 13 Ca 0.19 0.02 -0.11 0.00 1.21 0.00 0.00 56.30 57.62 1of9 h ASN 13 Cb 0.46 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.59 1of9 h ASN 13 CO -0.50 0.21 -0.43 0.74 -1.29 0.00 0.00 177.43 176.16 1of9 h THR 14 N 0.42 1.32 0.00 2.81 2.02 0.22 -2.10 112.91 117.60 1of9 h THR 14 Ca 0.35 -1.56 -0.01 0.00 0.77 0.00 0.00 66.41 65.97 1of9 h THR 14 Cb 0.79 1.73 -0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1of9 h THR 14 CO -0.11 0.46 -0.04 -0.07 0.37 0.00 0.00 175.52 176.13 1of9 h LEU 15 N 0.16 0.00 -1.21 2.58 3.38 0.22 2.32 115.31 122.76 1of9 h LEU 15 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1of9 h LEU 15 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1of9 h LEU 15 CO 0.06 0.04 -0.38 -0.33 0.09 0.00 0.00 178.44 177.92 1of9 h GLU 16 N 0.00 0.00 0.00 1.13 5.08 -1.03 -3.13 114.58 116.63 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 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1of9 h GLU 16 CO 0.01 0.38 -0.69 -1.71 -1.00 0.00 0.00 179.01 176.00 1of9 n ASN 17 N -3.95 1.75 0.00 1.42 5.15 -0.51 -4.33 115.26 114.79 1of9 n ASN 17 Ca -0.02 -0.36 0.00 0.00 -0.60 0.00 0.00 54.58 53.61 1of9 n ASN 17 Cb 0.43 1.11 0.00 0.00 -0.53 0.00 0.00 39.78 40.79 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 -1.37 0.00 -0.09 1.20 7.94 0.77 -4.43 117.00 121.01 1of9 n LEU 18 Ca 0.00 0.39 -0.12 0.00 -1.11 0.00 0.00 56.01 55.17 1of9 n LEU 18 Cb 0.11 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.97 1of9 n LEU 18 CO 0.11 0.00 -1.09 0.18 -1.11 0.00 0.00 177.39 175.48 1of9 n LEU 19 N -0.65 2.25 -4.08 -1.96 4.32 -1.25 -5.01 117.00 110.62 1of9 n LEU 19 Ca 0.00 -0.08 -0.31 0.00 -0.02 0.00 0.00 56.01 55.61 1of9 n LEU 19 Cb 0.00 -0.41 -0.04 0.00 -1.62 0.00 0.00 43.42 41.35 1of9 n LEU 19 CO 0.00 0.71 -0.30 1.07 -1.22 0.00 0.00 177.39 177.65 1of9 n THR 20 N -2.93 -2.50 -0.63 -5.08 5.66 -1.25 -4.32 114.28 103.22 1of9 n THR 20 Ca -0.31 -0.55 0.00 0.00 -3.05 0.00 0.00 64.05 60.13 1of9 n THR 20 Cb 0.89 -2.14 0.00 0.00 -1.55 0.00 0.00 70.33 67.53 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 -4.54 -1.54 0.00 1.09 -1.04 -1.26 -5.07 114.28 101.93 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 0.67 -2.03 0.00 0.00 -1.82 0.00 0.00 70.33 67.15 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 0.69 0.00 0.01 -2.82 5.02 -1.26 -5.00 118.16 114.80 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 -0.01 2.68 0.72 0.00 -1.26 -5.01 105.19 102.30 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 -2.82 0.00 0.04 4.61 0.00 -1.26 -4.85 120.51 116.23 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 0.25 -0.02 -0.14 0.00 0.00 0.00 0.00 19.45 19.54 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 0.31 0.65 0.00 3.32 -2.01 -3.25 116.42 115.45 1of9 h ASP 25 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1of9 h ASP 25 Cb 0.00 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1of9 h ASP 25 CO 0.00 1.41 0.00 1.17 -1.72 0.00 0.00 179.24 180.10 1of9 n LYS 26 N -3.39 0.15 0.05 3.56 3.00 -1.26 -1.75 118.16 118.52 1of9 n LYS 26 Ca -0.18 0.39 -0.11 0.00 -0.00 0.00 0.00 58.31 58.41 1of9 n LYS 26 Cb 1.04 -1.79 -0.08 0.00 0.00 0.00 0.00 35.03 34.20 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 0.94 0.00 3.15 3.04 -1.96 0.31 116.25 121.74 1of9 h VAL 27 Ca 0.00 -1.13 0.00 0.00 -1.01 0.00 0.00 66.70 64.56 1of9 h VAL 27 Cb 0.32 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 1of9 h VAL 27 CO 0.00 0.23 0.00 0.07 -1.01 0.00 0.00 177.57 176.86 1of9 h LYS 28 N -0.80 0.00 0.03 4.17 2.10 -1.62 0.61 116.57 121.05 1of9 h LYS 28 Ca -0.02 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.38 1of9 h LYS 28 Cb 0.54 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.84 1of9 h LYS 28 CO 0.03 0.00 -1.28 0.22 -2.00 0.00 0.00 179.45 176.43 1of9 h ASP 29 N 0.00 0.09 0.41 7.07 1.82 -1.25 -2.75 116.42 121.80 1of9 h ASP 29 Ca 0.00 -0.11 -0.19 0.00 -0.39 0.00 0.00 57.03 56.34 1of9 h ASP 29 Cb 0.49 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.43 1of9 h ASP 29 CO 0.00 1.09 -1.75 0.00 -1.61 0.00 0.00 179.24 176.97 1of9 n TYR 30 N -3.30 0.59 0.10 0.28 4.19 0.09 -3.34 117.16 115.77 1of9 n TYR 30 Ca -0.07 0.20 -0.04 0.00 3.31 0.00 0.00 57.90 61.30 1of9 n TYR 30 Cb 0.99 -0.97 0.05 0.00 0.49 0.00 0.00 39.34 39.89 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 1.56 -0.01 2.97 2.04 0.10 -2.51 117.51 121.66 1of9 h ILE 31 Ca -0.23 -2.66 -0.08 0.00 1.00 0.00 0.00 64.86 62.88 1of9 h ILE 31 Cb 1.66 2.44 0.01 0.00 -0.74 0.00 0.00 36.82 40.18 1of9 h ILE 31 CO 0.04 0.76 -0.31 0.28 0.00 0.00 0.00 178.15 178.91 1of9 h SER 32 N 0.00 0.29 -0.68 1.72 0.02 -1.63 0.50 113.55 113.78 1of9 h SER 32 Ca -0.01 -0.75 0.05 0.00 -0.84 0.00 0.00 61.79 60.24 1of9 h SER 32 Cb 1.38 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.79 1of9 h SER 32 CO 0.10 1.00 0.45 -1.28 -1.14 0.00 0.00 176.83 175.96 1of9 h SER 33 N -0.39 0.65 0.11 3.07 0.87 -1.58 1.99 113.55 118.28 1of9 h SER 33 Ca -0.04 -0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.35 1of9 h SER 33 Cb 1.04 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.87 1of9 h SER 33 CO 0.06 0.44 -0.80 -0.07 -0.53 0.00 0.00 176.83 175.93 1of9 h LEU 34 N 0.75 0.36 0.00 2.23 3.38 -1.45 -3.17 115.31 117.40 1of9 h LEU 34 Ca 0.29 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1of9 h LEU 34 Cb 0.18 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1of9 h LEU 34 CO -0.09 1.37 0.00 0.00 0.09 0.00 0.00 178.44 179.81 1of9 n ASN 36 N -1.34 4.53 -1.65 0.00 5.15 0.67 -2.73 115.26 119.89 1of9 n ASN 36 Ca 0.07 -2.25 -0.02 0.00 -0.60 0.00 0.00 54.58 51.78 1of9 n ASN 36 Cb 0.16 -1.04 0.03 0.00 -0.53 0.00 0.00 39.78 38.40 1of9 n ASN 36 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1of9 n LYS 37 N 3.57 0.45 0.00 1.20 4.76 -1.26 -5.00 118.16 121.88 1of9 n LYS 37 Ca 0.40 -0.54 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 1of9 n LYS 37 Cb 0.31 0.29 0.00 0.00 -1.84 0.00 0.00 35.03 33.79 1of9 n LYS 37 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1of9 n ALA 38 N -0.51 0.60 -4.13 7.82 0.00 -1.10 -4.94 120.51 118.25 1of9 n ALA 38 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.99 1of9 n ALA 38 Cb 0.61 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.08 -1.03 0.00 0.00 7.64 -1.26 -4.56 113.62 114.32 1of9 n SER 39 Ca 0.00 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.79 1of9 n SER 39 Cb 0.00 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 61.82 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 -1.30 1.57 0.28 0.23 0.00 -1.26 -4.86 105.19 99.84 1of9 n GLY 40 Ca 0.01 0.32 0.03 0.00 0.00 0.00 0.00 46.02 46.39 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 0.41 0.00 1.61 3.04 -1.98 -0.25 116.94 119.77 1of9 h PHE 41 Ca 0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1of9 h PHE 41 Cb 0.00 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.38 1of9 h PHE 41 CO 0.00 0.35 -0.45 0.44 -2.02 0.00 0.00 178.31 176.64 1of9 n ILE 42 N -4.39 0.33 -0.27 1.41 -0.00 -1.26 -4.23 119.36 110.95 1of9 n ILE 42 Ca 0.01 -0.22 -0.07 0.00 -0.00 0.00 0.00 62.75 62.47 1of9 n ILE 42 Cb 0.15 -0.19 -0.06 0.00 -0.00 0.00 0.00 39.64 39.54 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 -1.76 -0.41 0.25 -1.28 0.00 -0.11 0.35 120.51 117.56 1of9 n ALA 43 Ca 0.04 0.54 0.10 0.00 0.00 0.00 0.00 53.44 54.13 1of9 n ALA 43 Cb 0.42 -0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.53 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 0.77 -0.31 0.00 1.03 -1.74 -0.26 112.91 112.40 1of9 h THR 44 Ca 0.10 -0.50 -0.10 0.00 -0.01 0.00 0.00 66.41 65.90 1of9 h THR 44 Cb 0.26 1.30 -0.01 0.00 -1.07 0.00 0.00 68.15 68.63 1of9 h THR 44 CO -0.60 0.12 -0.21 -0.07 -0.01 0.00 0.00 175.52 174.75 1of9 h LEU 45 N 0.00 0.73 0.56 0.00 3.38 0.58 0.17 115.31 120.72 1of9 h LEU 45 Ca -0.00 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 1of9 h LEU 45 Cb 0.29 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.84 1of9 h LEU 45 CO 0.02 1.01 -0.27 0.00 0.09 0.00 0.00 178.44 179.28 1of9 h THR 47 N -1.14 0.00 0.67 0.00 2.02 -1.12 -1.90 112.91 111.44 1of9 h THR 47 Ca -0.08 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1of9 h THR 47 Cb 0.62 0.67 0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1of9 h THR 47 CO 0.13 0.00 -0.32 0.11 0.37 0.00 0.00 175.52 175.80 1of9 h LYS 48 N 0.00 -0.87 -1.01 6.66 1.79 -0.33 0.18 116.57 122.99 1of9 h LYS 48 Ca 0.00 0.06 0.24 0.00 -2.18 0.00 0.00 60.65 58.77 1of9 h LYS 48 Cb 0.25 0.20 -0.11 0.00 -1.58 0.00 0.00 32.23 30.99 1of9 h LYS 48 CO 0.00 -0.55 0.62 0.28 -1.08 0.00 0.00 179.45 178.71 1of9 h VAL 49 N -1.18 0.57 0.59 0.50 2.07 -1.20 0.41 116.25 118.01 1of9 h VAL 49 Ca -0.09 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1of9 h VAL 49 Cb 0.72 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1of9 h VAL 49 CO 0.15 0.11 -0.28 -0.07 0.02 0.00 0.00 177.57 177.49 1of9 h LEU 50 N 0.58 -0.67 -1.50 2.57 3.38 -1.40 1.72 115.31 119.99 1of9 h LEU 50 Ca 0.62 0.02 0.32 0.00 0.09 0.00 0.00 57.88 58.93 1of9 h LEU 50 Cb 1.21 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 42.04 1of9 h LEU 50 CO -0.41 -0.39 0.75 -0.78 0.09 0.00 0.00 178.44 177.70 1of9 h ASP 51 N -0.97 0.32 0.06 -0.43 3.58 0.51 -0.82 116.42 118.67 1of9 h ASP 51 Ca -0.08 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1of9 h ASP 51 Cb 0.61 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.69 1of9 h ASP 51 CO 0.13 0.01 -0.03 0.15 -2.88 0.00 0.00 179.24 176.62 1of9 h PHE 52 N 0.25 -0.08 0.00 0.28 3.57 0.02 -3.50 116.94 117.48 1of9 h PHE 52 Ca 0.64 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.14 1of9 h PHE 52 Cb 1.90 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.67 1of9 h PHE 52 CO -0.00 0.33 0.00 0.41 -2.23 0.00 0.00 178.31 176.82 1of9 n GLY 53 N 1.37 2.52 0.38 2.40 0.00 0.58 -4.72 105.19 107.73 1of9 n GLY 53 Ca -0.05 -0.71 0.27 0.00 0.00 0.00 0.00 46.02 45.52 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 0.30 -0.59 -0.61 5.03 -1.77 1.53 117.51 121.40 1of9 h ILE 54 Ca 0.00 -0.10 -0.04 0.00 -0.12 0.00 0.00 64.86 64.60 1of9 h ILE 54 Cb 0.00 -0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 33.76 1of9 h ILE 54 CO 0.00 0.05 0.21 0.44 -0.68 0.00 0.00 178.15 178.17 1of9 h ASP 55 N 0.28 0.83 0.18 1.72 5.19 -1.92 -2.72 116.42 119.98 1of9 h ASP 55 Ca 0.73 -0.19 0.01 0.00 -0.62 0.00 0.00 57.03 56.96 1of9 h ASP 55 Cb 1.86 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 41.14 1of9 h ASP 55 CO -0.49 0.79 -0.20 0.11 -3.12 0.00 0.00 179.24 176.33 1of9 h LYS 56 N 0.82 -0.40 -0.91 3.56 1.79 0.18 0.12 116.57 121.72 1of9 h LYS 56 Ca 0.19 0.03 0.26 0.00 -2.18 0.00 0.00 60.65 58.95 1of9 h LYS 56 Cb 0.24 0.09 -0.15 0.00 -1.58 0.00 0.00 32.23 30.83 1of9 h LYS 56 CO -0.01 -0.27 0.25 -0.07 -1.08 0.00 0.00 179.45 178.27 1of9 h LEU 57 N -0.42 -0.01 -0.48 2.94 4.07 -1.00 1.28 115.31 121.70 1of9 h LEU 57 Ca 0.01 0.21 -0.12 0.00 0.08 0.00 0.00 57.88 58.06 1of9 h LEU 57 Cb 0.40 0.29 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 1of9 h LEU 57 CO -0.06 -0.21 -0.17 0.40 -1.08 0.00 0.00 178.44 177.32 1of9 h ILE 58 N 0.17 1.27 -0.89 1.22 5.03 -1.00 -2.62 117.51 120.69 1of9 h ILE 58 Ca 0.60 -1.32 0.08 0.00 -0.12 0.00 0.00 64.86 64.10 1of9 h ILE 58 Cb 1.26 1.11 -0.07 0.00 -3.03 0.00 0.00 36.82 36.10 1of9 h ILE 58 CO -0.70 0.46 0.54 1.56 -0.68 0.00 0.00 178.15 179.33 1of9 h GLN 59 N 0.81 0.92 0.76 2.37 1.08 0.41 0.69 115.11 122.15 1of9 h GLN 59 Ca 0.11 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.22 1of9 h GLN 59 Cb 0.74 -0.21 0.01 0.00 -0.05 0.00 0.00 27.48 27.96 1of9 h GLN 59 CO 0.06 0.61 -0.37 -0.07 -0.95 0.00 0.00 178.83 178.11 1of9 h LEU 60 N 0.95 -0.87 -0.57 1.46 3.38 -0.40 -2.15 115.31 117.11 1of9 h LEU 60 Ca 0.41 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.52 1of9 h LEU 60 Cb 0.27 0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.14 1of9 h LEU 60 CO -0.21 -0.61 -0.09 -0.29 0.09 0.00 0.00 178.44 177.34 1of9 h ILE 61 N -1.05 0.46 -1.02 1.22 6.09 -1.08 0.54 117.51 122.66 1of9 h ILE 61 Ca -0.10 -0.01 0.25 0.00 -1.37 0.00 0.00 64.86 63.62 1of9 h ILE 61 Cb 0.79 0.42 -0.10 0.00 0.47 0.00 0.00 36.82 38.40 1of9 h ILE 61 CO 0.17 0.01 0.64 -0.33 -3.07 0.00 0.00 178.15 175.57 1of9 h GLU 62 N 0.04 0.47 0.11 2.19 4.39 -0.63 -2.47 114.58 118.67 1of9 h GLU 62 Ca 0.28 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 1of9 h GLU 62 Cb 0.44 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1of9 h GLU 62 CO -0.56 0.31 -0.05 0.22 -1.16 0.00 0.00 179.01 177.77 1of9 h ASP 63 N 0.48 -0.12 0.00 1.42 3.58 0.62 -3.48 116.42 118.92 1of9 h ASP 63 Ca 0.60 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.06 1of9 h ASP 63 Cb 1.36 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.44 1of9 h ASP 63 CO -0.34 0.02 0.00 0.29 -2.88 0.00 0.00 179.24 176.32 1of9 n LYS 64 N -2.98 0.00 -3.72 0.28 4.01 0.10 -5.11 118.16 110.74 1of9 n LYS 64 Ca -0.02 0.00 -0.38 0.00 -0.51 0.00 0.00 58.31 57.40 1of9 n LYS 64 Cb 0.06 0.00 -0.12 0.00 -0.51 0.00 0.00 35.03 34.46 1of9 n LYS 64 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1of9 s VAL 65 N 0.00 3.85 0.81 -0.18 1.01 -0.87 -4.96 120.40 120.06 1of9 s VAL 65 Ca 0.00 -1.27 -0.10 0.00 0.00 0.00 0.00 61.98 60.61 1of9 s VAL 65 Cb 0.00 -3.26 0.16 0.00 0.00 0.00 0.00 36.38 33.28 1of9 s VAL 65 CO 0.00 -0.30 0.36 0.47 0.00 0.00 0.00 175.10 175.63 1of9 n ASP 66 N 4.82 -2.72 0.06 3.32 8.00 -1.26 -3.65 116.55 125.12 1of9 n ASP 66 Ca -0.11 -0.37 -0.10 0.00 0.71 0.00 0.00 54.79 54.93 1of9 n ASP 66 Cb 0.44 -0.61 -0.13 0.00 -0.02 0.00 0.00 41.12 40.81 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 -2.59 0.34 0.08 2.24 0.00 -1.95 -2.90 119.26 114.48 1of9 h ALA 67 Ca -0.16 -0.98 -0.00 0.00 0.00 0.00 0.00 54.91 53.76 1of9 h ALA 67 Cb 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1of9 h ALA 67 CO 0.10 1.22 -0.04 -0.97 0.00 0.00 0.00 179.25 179.56 1of9 h ASN 68 N 0.02 -0.09 -1.01 0.00 -0.73 -1.90 -0.66 115.58 111.20 1of9 h ASN 68 Ca -0.08 -0.39 0.24 0.00 1.87 0.00 0.00 56.30 57.93 1of9 h ASN 68 Cb 1.86 0.02 -0.10 0.00 0.27 0.00 0.00 38.32 40.37 1of9 h ASN 68 CO 0.14 0.56 0.63 0.00 -0.37 0.00 0.00 177.43 178.39 1of9 h ALA 69 N -0.49 1.97 -0.04 1.57 0.00 -1.92 0.72 119.26 121.08 1of9 h ALA 69 Ca -0.01 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1of9 h ALA 69 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1of9 h ALA 69 CO 0.02 -0.39 -0.09 0.82 0.00 0.00 0.00 179.25 179.61 1of9 h ILE 70 N 0.53 1.45 0.00 0.00 1.08 -1.56 -2.65 117.51 116.36 1of9 h ILE 70 Ca 0.60 -1.46 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 1of9 h ILE 70 Cb 1.27 2.33 0.00 0.00 -3.07 0.00 0.00 36.82 37.35 1of9 h ILE 70 CO -0.37 0.40 0.02 0.00 -0.69 0.00 0.00 178.15 177.51 1of9 h ALA 72 N 1.96 0.16 0.01 0.00 0.00 0.65 1.11 119.26 123.15 1of9 h ALA 72 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1of9 h ALA 72 Cb 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1of9 h ALA 72 CO 0.00 0.33 -0.01 -0.22 0.00 0.00 0.00 179.25 179.35 1of9 h LYS 73 N 0.01 -0.02 0.00 0.00 3.11 -0.65 0.92 116.57 119.94 1of9 h LYS 73 Ca -0.04 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 1of9 h LYS 73 Cb 1.14 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.37 1of9 h LYS 73 CO 0.10 -0.01 0.00 0.44 -2.81 0.00 0.00 179.45 177.17 1of9 n ILE 74 N -2.45 0.64 -3.24 2.00 -0.00 -1.15 -4.79 119.36 110.37 1of9 n ILE 74 Ca -0.00 0.16 -0.23 0.00 -0.00 0.00 0.00 62.75 62.67 1of9 n ILE 74 Cb 0.01 -1.03 0.03 0.00 -0.00 0.00 0.00 39.64 38.65 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 -1.22 -2.03 -0.05 4.28 -0.00 0.32 -4.83 115.22 111.69 1of9 n HIS 75 Ca 0.04 0.58 0.05 0.00 -0.00 0.00 0.00 57.72 58.39 1of9 n HIS 75 Cb 0.06 -4.06 0.24 0.00 -0.00 0.00 0.00 29.99 26.23 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 -3.76 3.23 0.00 1.57 0.00 0.37 -3.77 120.51 118.14 1of9 n ALA 76 Ca -0.06 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1of9 n ALA 76 Cb 0.59 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1of9 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50