#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 -0.58 0.20 1.61 2.13 -1.26 -5.00 120.64 117.74 1of9 n GLU 2 Ca 0.00 0.06 -0.08 0.00 0.66 0.00 0.00 57.16 57.80 1of9 n GLU 2 Cb 0.00 -2.75 -0.04 0.00 0.27 0.00 0.00 31.44 28.93 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 -0.20 0.00 -0.45 6.31 5.03 -1.93 -3.41 117.51 122.86 1of9 h ILE 3 Ca -0.04 -0.01 -0.27 0.00 -0.12 0.00 0.00 64.86 64.41 1of9 h ILE 3 Cb 1.03 0.00 -0.28 0.00 -3.03 0.00 0.00 36.82 34.54 1of9 h ILE 3 CO 0.04 0.00 -0.76 -0.11 -0.68 0.00 0.00 178.15 176.64 1of9 n LEU 4 N -3.39 -0.17 -0.24 1.44 7.94 -1.26 -4.95 117.00 116.36 1of9 n LEU 4 Ca -0.06 -3.50 0.05 0.00 -1.11 0.00 0.00 56.01 51.39 1of9 n LEU 4 Cb 0.20 0.24 0.17 0.00 0.53 0.00 0.00 43.42 44.55 1of9 n LEU 4 CO 0.15 1.66 0.90 0.00 -1.11 0.00 0.00 177.39 178.99 1of9 h ASN 6 N 0.22 0.00 0.00 0.00 -1.24 -1.94 0.10 115.58 112.71 1of9 h ASN 6 Ca 0.40 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.41 1of9 h ASN 6 Cb 0.69 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.74 1of9 h ASN 6 CO -0.54 0.00 0.00 -0.11 -1.29 0.00 0.00 177.43 175.49 1of9 n LEU 7 N -3.33 0.19 -0.06 0.34 0.00 0.46 -0.84 117.00 113.76 1of9 n LEU 7 Ca 0.15 0.75 -0.11 0.00 0.00 0.00 0.00 56.01 56.80 1of9 n LEU 7 Cb 1.12 -0.35 -0.05 0.00 0.00 0.00 0.00 43.42 44.14 1of9 n LEU 7 CO 0.23 -0.35 0.59 0.00 0.00 0.00 0.00 177.39 177.85 1of9 h THR 9 N -0.39 0.00 0.16 0.00 1.35 -1.13 0.88 112.91 113.77 1of9 h THR 9 Ca 0.11 0.00 -0.30 0.00 -0.55 0.00 0.00 66.41 65.67 1of9 h THR 9 Cb 0.59 0.48 0.01 0.00 -1.73 0.00 0.00 68.15 67.50 1of9 h THR 9 CO -0.47 0.00 -1.41 1.23 -0.25 0.00 0.00 175.52 174.61 1of9 h GLY 10 N 0.00 0.38 1.38 5.82 0.00 0.37 -3.03 103.07 107.98 1of9 h GLY 10 Ca 0.00 -0.97 -0.28 0.00 0.00 0.00 0.00 47.33 46.09 1of9 h GLY 10 CO 0.00 0.85 -1.43 0.17 0.00 0.00 0.00 176.54 176.12 1of9 h LEU 11 N 0.09 0.18 0.59 3.11 8.10 0.13 -3.11 115.31 124.41 1of9 h LEU 11 Ca -0.21 -0.26 -0.02 0.00 0.11 0.00 0.00 57.88 57.50 1of9 h LEU 11 Cb 2.04 -0.06 -0.00 0.00 -0.44 0.00 0.00 40.66 42.19 1of9 h LEU 11 CO 0.21 1.22 -0.36 0.40 -4.11 0.00 0.00 178.44 175.79 1of9 h ILE 12 N 0.03 0.26 -0.55 0.15 1.08 0.03 0.41 117.51 118.91 1of9 h ILE 12 Ca -0.19 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.36 1of9 h ILE 12 Cb 1.95 0.26 -0.07 0.00 -3.07 0.00 0.00 36.82 35.89 1of9 h ILE 12 CO 0.13 0.00 0.19 0.78 -0.69 0.00 0.00 178.15 178.56 1of9 h ASN 13 N -0.91 0.18 0.30 1.72 2.35 -1.67 0.72 115.58 118.27 1of9 h ASN 13 Ca -0.07 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1of9 h ASN 13 Cb 0.74 0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.17 1of9 h ASN 13 CO 0.07 0.12 0.00 1.07 -1.65 0.00 0.00 177.43 177.04 1of9 n THR 14 N -5.01 0.53 0.00 2.81 5.66 -0.99 -1.65 114.28 115.64 1of9 n THR 14 Ca 0.07 0.13 -0.04 0.00 -3.05 0.00 0.00 64.05 61.17 1of9 n THR 14 Cb 0.24 -0.87 -0.11 0.00 -1.55 0.00 0.00 70.33 68.04 1of9 n THR 14 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1of9 n LEU 15 N -1.28 0.81 0.29 1.09 4.32 0.24 -3.26 117.00 119.21 1of9 n LEU 15 Ca 0.08 0.37 0.15 0.00 -0.02 0.00 0.00 56.01 56.58 1of9 n LEU 15 Cb 0.13 0.13 0.90 0.00 -1.62 0.00 0.00 43.42 42.95 1of9 n LEU 15 CO 0.12 0.25 1.11 -0.33 -1.22 0.00 0.00 177.39 177.33 1of9 h GLU 16 N 0.00 0.00 -0.02 3.23 5.08 -0.35 0.19 114.58 122.71 1of9 h GLU 16 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1of9 h GLU 16 Cb 1.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.02 1of9 h GLU 16 CO 0.06 0.01 -0.32 -1.71 -1.00 0.00 0.00 179.01 176.04 1of9 n ASN 17 N -3.85 1.97 0.00 1.42 2.85 -1.25 -4.56 115.26 111.84 1of9 n ASN 17 Ca -0.03 -1.49 0.00 0.00 -0.11 0.00 0.00 54.58 52.95 1of9 n ASN 17 Cb 0.09 0.38 0.00 0.00 1.24 0.00 0.00 39.78 41.50 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 0.15 0.00 -0.04 1.20 7.94 0.66 -4.77 117.00 122.13 1of9 n LEU 18 Ca 0.09 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.89 1of9 n LEU 18 Cb 0.42 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.34 1of9 n LEU 18 CO 0.22 0.00 -0.63 0.18 -1.11 0.00 0.00 177.39 176.05 1of9 n LEU 19 N 0.00 1.33 -3.17 -1.96 4.32 -1.26 -4.96 117.00 111.31 1of9 n LEU 19 Ca 0.00 0.21 -0.22 0.00 -0.02 0.00 0.00 56.01 55.98 1of9 n LEU 19 Cb 0.00 -0.50 -0.04 0.00 -1.62 0.00 0.00 43.42 41.26 1of9 n LEU 19 CO 0.00 -0.17 -0.08 1.07 -1.22 0.00 0.00 177.39 176.99 1of9 n THR 20 N -3.86 0.00 0.00 -5.08 5.66 -1.26 -3.42 114.28 106.32 1of9 n THR 20 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1of9 n THR 20 Cb 0.45 -0.25 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 1of9 n THR 20 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1of9 n THR 21 N -2.66 0.00 0.38 1.09 5.66 -1.26 -5.00 114.28 112.50 1of9 n THR 21 Ca 0.06 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.87 1of9 n THR 21 Cb 0.33 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.01 1of9 n THR 21 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1of9 h LYS 22 N 0.00 -1.02 0.00 1.09 3.64 -1.94 -3.46 116.57 114.87 1of9 h LYS 22 Ca 0.00 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1of9 h LYS 22 Cb 0.00 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1of9 h LYS 22 CO 0.00 -0.68 0.00 0.41 -2.27 0.00 0.00 179.45 176.91 1of9 n GLY 23 N -1.57 0.10 1.07 5.01 0.00 -1.26 -4.98 105.19 103.56 1of9 n GLY 23 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.10 4.61 0.00 -1.26 -4.97 120.51 118.79 1of9 n ALA 24 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1of9 n ALA 24 Cb 0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 19.45 19.05 1of9 n ALA 24 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1of9 n ASP 25 N 1.07 1.34 0.12 0.00 8.00 -1.26 -4.09 116.55 121.72 1of9 n ASP 25 Ca 0.00 -0.01 0.12 0.00 0.71 0.00 0.00 54.79 55.60 1of9 n ASP 25 Cb 0.20 -0.03 0.48 0.00 -0.02 0.00 0.00 41.12 41.76 1of9 n ASP 25 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1of9 n LYS 26 N -3.12 0.18 0.10 -1.24 3.00 -1.26 -2.74 118.16 113.08 1of9 n LYS 26 Ca -0.38 0.41 -0.13 0.00 -0.00 0.00 0.00 58.31 58.21 1of9 n LYS 26 Cb 1.05 -1.85 -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 0.89 0.00 3.15 3.04 -1.99 -0.95 116.25 120.39 1of9 h VAL 27 Ca 0.00 -0.68 0.00 0.00 -1.01 0.00 0.00 66.70 65.01 1of9 h VAL 27 Cb 0.36 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1of9 h VAL 27 CO 0.00 0.15 0.00 2.29 -1.01 0.00 0.00 177.57 179.00 1of9 n LYS 28 N -5.06 0.10 0.09 4.17 2.85 -1.11 0.21 118.16 119.42 1of9 n LYS 28 Ca -0.09 0.46 -0.20 0.00 -1.05 0.00 0.00 58.31 57.43 1of9 n LYS 28 Cb 0.24 -1.75 -0.15 0.00 -0.65 0.00 0.00 35.03 32.72 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 0.54 0.73 -5.58 3.58 -1.34 -2.91 116.42 111.43 1of9 h ASP 29 Ca 0.00 -0.69 -0.25 0.00 0.42 0.00 0.00 57.03 56.51 1of9 h ASP 29 Cb 0.18 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 1of9 h ASP 29 CO 0.00 1.56 -1.39 0.22 -2.88 0.00 0.00 179.24 176.76 1of9 h TYR 30 N 0.09 0.00 -0.19 0.28 5.03 0.10 -2.97 116.97 119.32 1of9 h TYR 30 Ca -0.25 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 60.94 1of9 h TYR 30 Cb 2.06 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 40.33 1of9 h TYR 30 CO 0.08 0.96 -0.39 0.82 -1.32 0.00 0.00 178.16 178.32 1of9 h ILE 31 N 0.00 1.30 -0.00 1.81 2.04 -0.36 -0.73 117.51 121.57 1of9 h ILE 31 Ca -0.17 -1.52 -0.21 0.00 1.00 0.00 0.00 64.86 63.97 1of9 h ILE 31 Cb 1.88 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.53 1of9 h ILE 31 CO 0.10 0.47 -0.90 0.28 0.00 0.00 0.00 178.15 178.10 1of9 h SER 32 N 0.36 0.38 -0.30 1.72 0.02 -1.60 0.41 113.55 114.54 1of9 h SER 32 Ca 0.03 -0.30 -0.13 0.00 -0.84 0.00 0.00 61.79 60.55 1of9 h SER 32 Cb 0.84 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1of9 h SER 32 CO 0.07 1.10 -0.29 -1.28 -1.14 0.00 0.00 176.83 175.29 1of9 h SER 33 N 0.17 0.84 0.13 3.07 0.87 -1.32 1.56 113.55 118.87 1of9 h SER 33 Ca -0.06 -0.34 -0.18 0.00 -1.23 0.00 0.00 61.79 59.98 1of9 h SER 33 Cb 1.53 -0.23 0.02 0.00 -0.44 0.00 0.00 62.40 63.27 1of9 h SER 33 CO 0.15 1.08 -0.79 -0.07 -0.53 0.00 0.00 176.83 176.66 1of9 h LEU 34 N 0.69 0.43 -1.21 2.23 3.38 -1.12 -3.25 115.31 116.46 1of9 h LEU 34 Ca 0.08 -0.95 -0.06 0.00 0.09 0.00 0.00 57.88 57.04 1of9 h LEU 34 Cb 0.84 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1of9 h LEU 34 CO 0.07 1.38 -0.30 0.00 0.09 0.00 0.00 178.44 179.68 1of9 h ASN 36 N 0.00 0.00 -0.58 0.00 -1.24 0.22 0.52 115.58 114.50 1of9 h ASN 36 Ca -0.00 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.66 1of9 h ASN 36 Cb 0.73 0.00 -0.13 0.00 0.73 0.00 0.00 38.32 39.65 1of9 h ASN 36 CO 0.04 0.00 0.09 2.29 -1.29 0.00 0.00 177.43 178.56 1of9 n LYS 37 N -3.82 2.14 0.00 6.67 2.85 -1.08 -4.55 118.16 120.38 1of9 n LYS 37 Ca 0.37 -1.68 0.00 0.00 -1.05 0.00 0.00 58.31 55.95 1of9 n LYS 37 Cb 1.78 -1.99 0.00 0.00 -0.65 0.00 0.00 35.03 34.16 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 1.46 0.00 -4.29 0.58 0.00 0.18 -4.95 120.51 113.49 1of9 n ALA 38 Ca 0.43 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.56 1of9 n ALA 38 Cb 0.69 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.05 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 0.44 0.00 0.00 2.88 -1.26 -4.71 113.62 110.97 1of9 n SER 39 Ca 0.00 -1.23 0.00 0.00 -1.33 0.00 0.00 58.87 56.31 1of9 n SER 39 Cb 0.00 -1.83 0.00 0.00 -0.75 0.00 0.00 64.21 61.63 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 -2.34 1.52 0.12 0.46 0.00 -1.26 -4.88 105.19 98.80 1of9 n GLY 40 Ca -0.28 0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 0.37 0.00 1.61 3.04 -1.98 -3.13 116.94 116.85 1of9 h PHE 41 Ca 0.00 -0.24 0.00 0.00 3.98 0.00 0.00 57.97 61.71 1of9 h PHE 41 Cb 0.00 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.48 1of9 h PHE 41 CO 0.00 1.11 -0.45 -0.89 -2.02 0.00 0.00 178.31 176.06 1of9 n ILE 42 N -3.59 0.09 -0.32 1.41 -0.00 -1.26 -4.27 119.36 111.41 1of9 n ILE 42 Ca -0.05 -0.07 -0.08 0.00 -0.00 0.00 0.00 62.75 62.55 1of9 n ILE 42 Cb 0.90 0.04 -0.08 0.00 -0.00 0.00 0.00 39.64 40.51 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 -1.58 -0.49 0.23 -1.39 0.00 -1.18 0.36 120.51 116.45 1of9 n ALA 43 Ca 0.05 0.66 0.08 0.00 0.00 0.00 0.00 53.44 54.23 1of9 n ALA 43 Cb 0.36 -0.10 0.56 0.00 0.00 0.00 0.00 19.45 20.28 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 0.87 -0.54 0.00 1.35 -1.79 -1.55 112.91 111.25 1of9 h THR 44 Ca 0.12 -0.79 -0.11 0.00 -0.55 0.00 0.00 66.41 65.08 1of9 h THR 44 Cb 0.32 1.46 -0.02 0.00 -1.73 0.00 0.00 68.15 68.18 1of9 h THR 44 CO -0.73 0.20 -0.10 -0.07 -0.25 0.00 0.00 175.52 174.58 1of9 h LEU 45 N 0.00 1.02 -0.01 3.87 3.38 0.60 0.42 115.31 124.59 1of9 h LEU 45 Ca -0.00 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 1of9 h LEU 45 Cb 0.45 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1of9 h LEU 45 CO 0.03 1.13 -0.00 0.00 0.09 0.00 0.00 178.44 179.69 1of9 h THR 47 N -0.38 0.00 -0.18 0.00 2.02 -1.20 -1.35 112.91 111.82 1of9 h THR 47 Ca 0.00 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 1of9 h THR 47 Cb 0.41 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1of9 h THR 47 CO 0.00 0.00 -0.07 0.11 0.37 0.00 0.00 175.52 175.93 1of9 h LYS 48 N 0.00 0.37 -0.77 6.66 1.57 -0.43 0.22 116.57 124.19 1of9 h LYS 48 Ca 0.00 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1of9 h LYS 48 Cb 0.04 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1of9 h LYS 48 CO 0.00 0.66 0.50 0.28 -0.57 0.00 0.00 179.45 180.32 1of9 h VAL 49 N 0.06 1.14 -0.09 0.50 2.07 -1.11 0.47 116.25 119.30 1of9 h VAL 49 Ca 0.04 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1of9 h VAL 49 Cb 0.54 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1of9 h VAL 49 CO 0.02 0.18 0.01 -0.07 0.02 0.00 0.00 177.57 177.73 1of9 h LEU 50 N 0.98 0.15 -1.68 2.57 3.38 -1.37 0.79 115.31 120.13 1of9 h LEU 50 Ca 0.30 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1of9 h LEU 50 Cb -0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1of9 h LEU 50 CO -0.09 0.39 0.27 -0.78 0.09 0.00 0.00 178.44 178.31 1of9 h ASP 51 N -0.10 0.36 0.11 -0.43 1.82 -0.02 -2.90 116.42 115.25 1of9 h ASP 51 Ca 0.03 -0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 1of9 h ASP 51 Cb 0.31 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.24 1of9 h ASP 51 CO 0.00 0.25 -0.05 0.15 -1.61 0.00 0.00 179.24 177.98 1of9 h PHE 52 N 0.42 -0.14 0.00 0.28 3.57 0.35 -3.50 116.94 117.92 1of9 h PHE 52 Ca 0.16 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1of9 h PHE 52 Cb 0.13 0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1of9 h PHE 52 CO -0.00 0.18 0.00 0.41 -2.23 0.00 0.00 178.31 176.67 1of9 n GLY 53 N 1.23 2.56 0.36 2.40 0.00 0.27 -4.75 105.19 107.26 1of9 n GLY 53 Ca -0.05 -0.57 0.26 0.00 0.00 0.00 0.00 46.02 45.66 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 0.28 -0.73 -0.61 5.03 -1.82 1.76 117.51 121.42 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 -0.03 -0.03 0.00 -3.03 0.00 0.00 36.82 33.73 1of9 h ILE 54 CO 0.00 0.05 0.30 0.44 -0.68 0.00 0.00 178.15 178.26 1of9 h ASP 55 N 0.28 1.01 0.22 1.72 5.19 -1.92 -2.83 116.42 120.09 1of9 h ASP 55 Ca 0.74 -0.17 0.01 0.00 -0.62 0.00 0.00 57.03 56.99 1of9 h ASP 55 Cb 1.82 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 41.04 1of9 h ASP 55 CO -0.56 0.90 -0.32 0.11 -3.12 0.00 0.00 179.24 176.25 1of9 h LYS 56 N 1.05 -0.58 -0.89 3.56 1.79 0.23 0.20 116.57 121.93 1of9 h LYS 56 Ca 0.24 0.04 0.23 0.00 -2.18 0.00 0.00 60.65 58.98 1of9 h LYS 56 Cb 0.21 0.13 -0.16 0.00 -1.58 0.00 0.00 32.23 30.83 1of9 h LYS 56 CO -0.02 -0.39 0.05 -0.07 -1.08 0.00 0.00 179.45 177.94 1of9 h LEU 57 N -0.61 -0.36 -0.77 2.94 3.38 -1.12 1.66 115.31 120.43 1of9 h LEU 57 Ca 0.01 0.24 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 1of9 h LEU 57 Cb 0.59 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1of9 h LEU 57 CO -0.13 -0.26 0.03 0.40 0.09 0.00 0.00 178.44 178.57 1of9 h ILE 58 N 0.07 1.26 -0.86 1.22 2.04 -1.05 -2.13 117.51 118.06 1of9 h ILE 58 Ca 0.53 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 65.33 1of9 h ILE 58 Cb 1.03 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 1of9 h ILE 58 CO -0.79 0.39 0.56 -0.61 0.00 0.00 0.00 178.15 177.70 1of9 h GLN 59 N 0.90 1.13 0.69 2.37 -0.00 0.53 0.22 115.11 120.96 1of9 h GLN 59 Ca 0.17 -0.07 -0.03 0.00 -0.00 0.00 0.00 58.65 58.72 1of9 h GLN 59 Cb 0.48 -0.25 0.01 0.00 0.00 0.00 0.00 27.48 27.71 1of9 h GLN 59 CO 0.02 0.76 -0.33 -0.07 0.00 0.00 0.00 178.83 179.20 1of9 h LEU 60 N 1.17 -0.78 -0.76 -2.39 3.38 0.06 -1.59 115.31 114.40 1of9 h LEU 60 Ca 0.31 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.41 1of9 h LEU 60 Cb -0.13 0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 1of9 h LEU 60 CO -0.07 -0.52 0.35 0.40 0.09 0.00 0.00 178.44 178.70 1of9 h ILE 61 N -1.00 0.75 -1.00 1.22 2.04 -1.17 0.25 117.51 118.60 1of9 h ILE 61 Ca -0.09 -0.19 0.15 0.00 1.00 0.00 0.00 64.86 65.72 1of9 h ILE 61 Cb 0.73 0.15 -0.09 0.00 -0.74 0.00 0.00 36.82 36.87 1of9 h ILE 61 CO 0.16 0.10 0.62 -0.33 0.00 0.00 0.00 178.15 178.69 1of9 h GLU 62 N 0.55 0.88 0.18 2.37 4.39 -0.27 -2.91 114.58 119.76 1of9 h GLU 62 Ca 0.40 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 60.04 1of9 h GLU 62 Cb 0.53 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1of9 h GLU 62 CO -0.34 0.58 -0.08 0.22 -1.16 0.00 0.00 179.01 178.23 1of9 h ASP 63 N 0.90 -0.20 0.00 1.42 1.82 0.32 -3.48 116.42 117.20 1of9 h ASP 63 Ca 0.53 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.17 1of9 h ASP 63 Cb 0.64 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.70 1of9 h ASP 63 CO -0.31 0.05 0.00 1.17 -1.61 0.00 0.00 179.24 178.53 1of9 n LYS 64 N -3.69 0.00 -4.00 0.28 4.81 0.56 -5.11 118.16 111.02 1of9 n LYS 64 Ca -0.03 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.08 1of9 n LYS 64 Cb 0.09 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.00 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 2.57 0.94 3.15 1.01 -0.91 -4.96 120.40 122.20 1of9 s VAL 65 Ca 0.00 -1.41 -0.12 0.00 0.00 0.00 0.00 61.98 60.45 1of9 s VAL 65 Cb 0.00 -2.44 0.15 0.00 0.00 0.00 0.00 36.38 34.09 1of9 s VAL 65 CO 0.00 0.01 0.28 0.47 0.00 0.00 0.00 175.10 175.86 1of9 n ASP 66 N 4.55 -2.91 0.09 3.32 8.00 -1.26 -4.16 116.55 124.18 1of9 n ASP 66 Ca -0.15 -0.35 -0.06 0.00 0.71 0.00 0.00 54.79 54.95 1of9 n ASP 66 Cb 0.44 -0.73 -0.02 0.00 -0.02 0.00 0.00 41.12 40.79 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 -2.61 0.56 0.00 2.24 0.00 -1.98 -2.55 119.26 114.91 1of9 h ALA 67 Ca -0.21 -0.78 -0.00 0.00 0.00 0.00 0.00 54.91 53.93 1of9 h ALA 67 Cb 0.66 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1of9 h ALA 67 CO 0.13 1.05 -0.01 -0.97 0.00 0.00 0.00 179.25 179.44 1of9 h ASN 68 N 0.02 0.00 -0.64 0.00 -1.24 -1.91 -0.69 115.58 111.12 1of9 h ASN 68 Ca -0.02 -0.79 0.19 0.00 0.71 0.00 0.00 56.30 56.38 1of9 h ASN 68 Cb 1.53 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.56 1of9 h ASN 68 CO 0.12 0.90 0.49 0.00 -1.29 0.00 0.00 177.43 177.65 1of9 h ALA 69 N -0.21 2.56 0.00 1.57 0.00 -1.90 0.82 119.26 122.10 1of9 h ALA 69 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1of9 h ALA 69 Cb 0.80 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1of9 h ALA 69 CO -0.00 -0.81 -0.18 0.82 0.00 0.00 0.00 179.25 179.07 1of9 h ILE 70 N 0.00 1.50 0.03 0.00 1.08 -1.50 -2.87 117.51 115.75 1of9 h ILE 70 Ca 0.30 -2.19 0.03 0.00 -0.39 0.00 0.00 64.86 62.61 1of9 h ILE 70 Cb 1.27 2.91 -0.04 0.00 -3.07 0.00 0.00 36.82 37.88 1of9 h ILE 70 CO -0.00 0.51 -0.28 0.00 -0.69 0.00 0.00 178.15 177.69 1of9 h ALA 72 N 0.32 1.46 -0.62 0.00 0.00 0.44 0.14 119.26 121.02 1of9 h ALA 72 Ca 0.05 0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.19 1of9 h ALA 72 Cb 0.51 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.20 1of9 h ALA 72 CO -0.22 -0.16 -0.29 1.57 0.00 0.00 0.00 179.25 180.14 1of9 h LYS 73 N 0.59 -0.12 -0.85 0.00 5.09 -0.78 1.54 116.57 122.05 1of9 h LYS 73 Ca 0.53 0.01 -0.10 0.00 0.09 0.00 0.00 60.65 61.19 1of9 h LYS 73 Cb 0.88 0.03 -0.06 0.00 0.10 0.00 0.00 32.23 33.18 1of9 h LYS 73 CO -0.42 -0.08 0.12 0.44 -2.09 0.00 0.00 179.45 177.42 1of9 n ILE 74 N -5.44 1.75 -4.23 0.07 -0.00 0.14 -4.86 119.36 106.79 1of9 n ILE 74 Ca 0.05 -0.86 -0.36 0.00 -0.00 0.00 0.00 62.75 61.58 1of9 n ILE 74 Cb 0.36 -0.49 -0.07 0.00 -0.00 0.00 0.00 39.64 39.44 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 0.09 -1.30 1.92 4.28 -0.00 0.53 -4.70 115.22 116.03 1of9 n HIS 75 Ca 0.21 0.59 0.11 0.00 -0.00 0.00 0.00 57.72 58.63 1of9 n HIS 75 Cb 0.90 -1.76 0.61 0.00 -0.00 0.00 0.00 29.99 29.74 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 -3.83 2.62 1.25 1.57 0.00 0.27 -4.84 120.51 117.55 1of9 n ALA 76 Ca 0.10 -0.18 0.10 0.00 0.00 0.00 0.00 53.44 53.46 1of9 n ALA 76 Cb 0.46 -1.32 0.59 0.00 0.00 0.00 0.00 19.45 19.18 1of9 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50