#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1of9 s GLU 2 N 0.00 0.63 0.00 1.61 1.03 -1.26 -5.00 118.70 115.72 1of9 s GLU 2 Ca 0.00 -0.42 0.00 0.00 0.03 0.00 0.00 54.97 54.58 1of9 s GLU 2 Cb 0.00 0.02 0.00 0.00 -0.80 0.00 0.00 34.13 33.35 1of9 s GLU 2 CO 0.00 -0.85 0.96 -0.89 -1.33 0.00 0.00 175.26 173.15 1of9 n ILE 3 N 3.55 0.00 -1.66 1.83 5.41 -1.26 -3.86 119.36 123.37 1of9 n ILE 3 Ca 0.12 1.46 0.05 0.00 1.00 0.00 0.00 62.75 65.37 1of9 n ILE 3 Cb 0.60 -2.08 0.07 0.00 -0.71 0.00 0.00 39.64 37.52 1of9 n ILE 3 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1of9 n LEU 4 N -2.61 1.21 0.00 1.39 7.99 -1.26 -4.87 117.00 118.84 1of9 n LEU 4 Ca 0.00 -2.12 0.00 0.00 -0.01 0.00 0.00 56.01 53.88 1of9 n LEU 4 Cb 0.00 -0.21 0.00 0.00 -0.11 0.00 0.00 43.42 43.10 1of9 n LEU 4 CO 0.00 0.54 0.32 0.00 -1.51 0.00 0.00 177.39 176.74 1of9 h ASN 6 N 0.00 0.00 0.20 0.00 -1.24 -1.90 0.45 115.58 113.09 1of9 h ASN 6 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1of9 h ASN 6 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1of9 h ASN 6 CO 0.00 0.00 -0.10 0.25 -1.29 0.00 0.00 177.43 176.29 1of9 h LEU 7 N 0.00 -0.23 0.18 0.34 7.12 -1.84 0.40 115.31 121.28 1of9 h LEU 7 Ca 0.76 0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.79 1of9 h LEU 7 Cb 3.40 0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 43.55 1of9 h LEU 7 CO -0.01 -0.11 -0.40 0.00 -0.13 0.00 0.00 178.44 177.80 1of9 h THR 9 N -0.67 0.23 0.06 0.00 1.35 -0.55 0.99 112.91 114.32 1of9 h THR 9 Ca 0.01 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.64 1of9 h THR 9 Cb 0.67 0.55 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 1of9 h THR 9 CO -0.20 0.00 -1.08 1.23 -0.25 0.00 0.00 175.52 175.22 1of9 h GLY 10 N 0.00 0.19 0.78 5.82 0.00 0.19 -3.10 103.07 106.95 1of9 h GLY 10 Ca 0.18 -0.44 -0.27 0.00 0.00 0.00 0.00 47.33 46.80 1of9 h GLY 10 CO -0.00 0.39 -1.28 0.17 0.00 0.00 0.00 176.54 175.81 1of9 h LEU 11 N 0.06 0.54 -0.42 3.11 8.10 0.23 -3.24 115.31 123.69 1of9 h LEU 11 Ca -0.07 -0.91 0.08 0.00 0.11 0.00 0.00 57.88 57.09 1of9 h LEU 11 Cb 1.81 -0.17 -0.09 0.00 -0.44 0.00 0.00 40.66 41.76 1of9 h LEU 11 CO 0.16 1.59 -0.28 0.40 -4.11 0.00 0.00 178.44 176.20 1of9 h ILE 12 N -0.18 0.29 -0.71 0.15 1.08 0.00 0.76 117.51 118.90 1of9 h ILE 12 Ca -0.25 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.36 1of9 h ILE 12 Cb 1.85 0.29 -0.05 0.00 -3.07 0.00 0.00 36.82 35.84 1of9 h ILE 12 CO 0.15 0.00 0.48 0.78 -0.69 0.00 0.00 178.15 178.86 1of9 h ASN 13 N -0.20 0.37 1.32 1.72 -0.26 -1.67 0.79 115.58 117.65 1of9 h ASN 13 Ca 0.19 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.94 1of9 h ASN 13 Cb 0.51 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.71 1of9 h ASN 13 CO -0.53 0.20 -0.03 0.74 -1.06 0.00 0.00 177.43 176.75 1of9 h THR 14 N 0.40 0.06 0.00 2.81 2.02 0.35 -2.55 112.91 116.00 1of9 h THR 14 Ca 0.34 -0.74 -0.08 0.00 0.77 0.00 0.00 66.41 66.71 1of9 h THR 14 Cb 0.78 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 1of9 h THR 14 CO -0.10 0.03 -0.38 -0.07 0.37 0.00 0.00 175.52 175.37 1of9 h LEU 15 N 0.00 0.00 -0.78 2.58 3.38 0.37 1.60 115.31 122.46 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 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1of9 h LEU 15 CO 0.00 0.38 -0.10 -0.33 0.09 0.00 0.00 178.44 178.48 1of9 h GLU 16 N 0.00 0.00 -0.00 1.13 5.08 -1.06 -3.11 114.58 116.62 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 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1of9 h GLU 16 CO 0.05 0.10 -0.01 -1.71 -1.00 0.00 0.00 179.01 176.44 1of9 n ASN 17 N -3.17 0.71 0.00 1.42 5.15 -1.04 -4.52 115.26 113.80 1of9 n ASN 17 Ca 0.02 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 53.14 1of9 n ASN 17 Cb 0.45 0.34 0.00 0.00 -0.53 0.00 0.00 39.78 40.04 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 -0.32 0.00 -0.10 1.20 7.94 0.54 -4.51 117.00 121.76 1of9 n LEU 18 Ca 0.00 0.11 -0.16 0.00 -1.11 0.00 0.00 56.01 54.85 1of9 n LEU 18 Cb 0.02 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 43.83 1of9 n LEU 18 CO 0.01 0.00 -1.20 0.18 -1.11 0.00 0.00 177.39 175.27 1of9 n LEU 19 N -0.16 2.15 -3.66 -1.96 7.99 -1.26 -4.98 117.00 115.12 1of9 n LEU 19 Ca 0.00 -0.04 -0.24 0.00 -0.01 0.00 0.00 56.01 55.72 1of9 n LEU 19 Cb 0.00 -0.56 0.01 0.00 -0.11 0.00 0.00 43.42 42.76 1of9 n LEU 19 CO 0.00 0.80 -0.08 1.07 -1.51 0.00 0.00 177.39 177.67 1of9 n THR 20 N -3.16 -5.16 0.00 -5.08 5.66 -1.26 -0.56 114.28 104.72 1of9 n THR 20 Ca -0.40 -0.33 0.00 0.00 -3.05 0.00 0.00 64.05 60.27 1of9 n THR 20 Cb 1.04 -3.95 0.00 0.00 -1.55 0.00 0.00 70.33 65.87 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 -3.09 0.00 0.29 1.09 5.66 -1.26 -4.81 114.28 112.16 1of9 n THR 21 Ca -0.18 0.00 0.17 0.00 -3.05 0.00 0.00 64.05 60.98 1of9 n THR 21 Cb 0.62 0.00 0.91 0.00 -1.55 0.00 0.00 70.33 70.31 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 1.55 0.00 0.00 1.09 3.11 -1.21 -3.43 116.57 117.68 1of9 h LYS 22 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1of9 h LYS 22 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1of9 h LYS 22 CO 0.00 0.04 0.00 0.41 -2.81 0.00 0.00 179.45 177.09 1of9 n GLY 23 N -0.88 0.25 0.09 5.01 0.00 -1.26 -4.99 105.19 103.41 1of9 n GLY 23 Ca -0.02 0.41 0.09 0.00 0.00 0.00 0.00 46.02 46.50 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 1.42 0.09 4.61 0.00 -1.26 -1.13 120.51 124.23 1of9 n ALA 24 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.44 1of9 n ALA 24 Cb 0.00 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 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 0.11 1.10 0.00 3.32 -1.98 -2.91 116.42 116.06 1of9 h ASP 25 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1of9 h ASP 25 Cb 0.20 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1of9 h ASP 25 CO 0.00 0.96 0.00 0.50 -1.72 0.00 0.00 179.24 178.98 1of9 h LYS 26 N 0.04 0.00 0.20 3.56 1.63 -1.51 -3.13 116.57 117.36 1of9 h LYS 26 Ca -0.03 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1of9 h LYS 26 Cb 1.58 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.21 1of9 h LYS 26 CO 0.13 0.00 -0.10 -0.24 -3.45 0.00 0.00 179.45 175.79 1of9 h VAL 27 N 0.00 0.89 0.00 2.00 3.04 -1.48 -2.12 116.25 118.58 1of9 h VAL 27 Ca 0.00 -0.58 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 1of9 h VAL 27 Cb 0.55 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 1of9 h VAL 27 CO 0.00 0.13 0.00 0.07 -1.01 0.00 0.00 177.57 176.76 1of9 h LYS 28 N -0.56 0.00 -0.07 4.17 2.10 -1.63 0.28 116.57 120.86 1of9 h LYS 28 Ca -0.03 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.45 1of9 h LYS 28 Cb 0.42 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 1of9 h LYS 28 CO 0.04 0.00 -0.71 0.22 -2.00 0.00 0.00 179.45 177.00 1of9 h ASP 29 N 0.00 0.40 0.47 7.07 3.58 -1.41 -2.56 116.42 123.97 1of9 h ASP 29 Ca 0.00 -0.26 -0.30 0.00 0.42 0.00 0.00 57.03 56.89 1of9 h ASP 29 Cb 0.00 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 40.90 1of9 h ASP 29 CO 0.00 0.99 -1.66 0.22 -2.88 0.00 0.00 179.24 175.91 1of9 h TYR 30 N 0.23 0.16 0.00 0.28 5.03 -0.25 -3.29 116.97 119.14 1of9 h TYR 30 Ca -0.03 -0.12 -0.03 0.00 2.58 0.00 0.00 58.73 61.14 1of9 h TYR 30 Cb 1.28 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 39.55 1of9 h TYR 30 CO 0.04 1.20 -0.12 0.82 -1.32 0.00 0.00 178.16 178.78 1of9 h ILE 31 N 0.02 0.60 0.30 1.81 2.04 -0.69 -0.93 117.51 120.67 1of9 h ILE 31 Ca -0.27 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 1of9 h ILE 31 Cb 1.99 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 1of9 h ILE 31 CO 0.10 0.12 -0.14 0.28 0.00 0.00 0.00 178.15 178.51 1of9 h SER 32 N 0.00 -0.34 -0.23 1.72 0.02 -1.54 0.40 113.55 113.58 1of9 h SER 32 Ca -0.00 -0.13 0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1of9 h SER 32 Cb 0.33 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1of9 h SER 32 CO 0.02 0.14 0.19 -1.28 -1.14 0.00 0.00 176.83 174.75 1of9 h SER 33 N -1.02 0.00 0.03 3.07 0.87 -1.58 1.35 113.55 116.27 1of9 h SER 33 Ca -0.04 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1of9 h SER 33 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1of9 h SER 33 CO 0.07 0.00 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.28 1of9 h LEU 34 N 0.00 -0.03 0.00 2.23 -0.00 -1.15 -3.18 115.31 113.18 1of9 h LEU 34 Ca 0.11 -0.58 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 1of9 h LEU 34 Cb 0.48 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1of9 h LEU 34 CO -0.00 0.73 0.00 0.00 -0.00 0.00 0.00 178.44 179.17 1of9 n ASN 36 N -1.48 6.01 -2.69 0.00 2.85 0.46 -3.93 115.26 116.47 1of9 n ASN 36 Ca 0.03 -2.48 -0.06 0.00 -0.11 0.00 0.00 54.58 51.97 1of9 n ASN 36 Cb 0.14 -1.42 0.08 0.00 1.24 0.00 0.00 39.78 39.82 1of9 n ASN 36 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1of9 n LYS 37 N 2.81 0.43 0.00 1.20 4.76 -1.23 -4.96 118.16 121.17 1of9 n LYS 37 Ca 0.51 -1.14 0.00 0.00 -2.87 0.00 0.00 58.31 54.82 1of9 n LYS 37 Cb 0.71 -0.62 0.00 0.00 -1.84 0.00 0.00 35.03 33.28 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 1.09 0.89 -4.18 7.82 0.00 -1.25 -5.03 120.51 119.84 1of9 n ALA 38 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 1of9 n ALA 38 Cb 0.70 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.13 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 -0.18 -2.15 0.00 0.00 2.88 -1.26 -4.73 113.62 108.17 1of9 n SER 39 Ca 0.00 -1.30 0.00 0.00 -1.33 0.00 0.00 58.87 56.24 1of9 n SER 39 Cb 0.00 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 61.89 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 -2.29 0.88 0.12 0.46 0.00 -1.26 -4.89 105.19 98.22 1of9 n GLY 40 Ca -0.19 0.39 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 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 0.65 -0.00 1.61 3.04 -2.02 -3.20 116.94 117.02 1of9 h PHE 41 Ca 0.00 -0.46 0.00 0.00 3.98 0.00 0.00 57.97 61.49 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 1.35 -0.33 -0.89 -2.02 0.00 0.00 178.31 176.42 1of9 n ILE 42 N -3.61 0.00 -0.32 1.41 -0.00 -1.26 -4.24 119.36 111.34 1of9 n ILE 42 Ca -0.11 -0.01 -0.09 0.00 -0.00 0.00 0.00 62.75 62.55 1of9 n ILE 42 Cb 1.03 0.02 -0.08 0.00 -0.00 0.00 0.00 39.64 40.62 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 -1.45 -0.49 0.24 -1.39 0.00 -1.21 0.31 120.51 116.52 1of9 n ALA 43 Ca 0.07 0.66 0.09 0.00 0.00 0.00 0.00 53.44 54.25 1of9 n ALA 43 Cb 0.33 -0.07 0.60 0.00 0.00 0.00 0.00 19.45 20.32 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 0.80 -0.43 0.00 1.35 -1.80 -1.83 112.91 111.00 1of9 h THR 44 Ca 0.12 -0.71 -0.10 0.00 -0.55 0.00 0.00 66.41 65.18 1of9 h THR 44 Cb 0.32 1.42 -0.02 0.00 -1.73 0.00 0.00 68.15 68.14 1of9 h THR 44 CO -0.73 0.18 -0.12 -0.07 -0.25 0.00 0.00 175.52 174.53 1of9 h LEU 45 N 0.00 0.78 0.44 3.87 3.38 0.46 -2.02 115.31 122.22 1of9 h LEU 45 Ca -0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1of9 h LEU 45 Cb 0.41 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1of9 h LEU 45 CO 0.02 0.92 -0.21 0.00 0.09 0.00 0.00 178.44 179.26 1of9 h THR 47 N -1.02 0.12 0.31 0.00 2.02 -1.36 0.28 112.91 113.26 1of9 h THR 47 Ca -0.06 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1of9 h THR 47 Cb 0.56 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1of9 h THR 47 CO 0.10 0.00 -0.15 0.11 0.37 0.00 0.00 175.52 175.95 1of9 h LYS 48 N 0.00 -0.40 -0.17 6.66 1.79 -1.05 0.32 116.57 123.72 1of9 h LYS 48 Ca 0.17 0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.71 1of9 h LYS 48 Cb 1.49 0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 32.18 1of9 h LYS 48 CO -0.00 -0.06 -0.14 0.28 -1.08 0.00 0.00 179.45 178.44 1of9 h VAL 49 N -0.82 0.60 0.23 0.50 2.07 -0.36 0.43 116.25 118.90 1of9 h VAL 49 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1of9 h VAL 49 Cb 0.52 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1of9 h VAL 49 CO 0.07 0.00 -0.24 -0.07 0.02 0.00 0.00 177.57 177.35 1of9 h LEU 50 N -0.16 -0.63 -1.27 2.57 3.38 -1.41 1.83 115.31 119.62 1of9 h LEU 50 Ca 0.11 0.06 0.21 0.00 0.09 0.00 0.00 57.88 58.34 1of9 h LEU 50 Cb 0.31 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.20 1of9 h LEU 50 CO -0.27 -0.35 0.62 -0.78 0.09 0.00 0.00 178.44 177.76 1of9 h ASP 51 N -0.50 0.58 0.16 -0.43 3.58 0.22 -2.47 116.42 117.56 1of9 h ASP 51 Ca -0.00 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1of9 h ASP 51 Cb 0.47 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1of9 h ASP 51 CO -0.06 0.21 -0.08 0.15 -2.88 0.00 0.00 179.24 176.58 1of9 h PHE 52 N 0.57 -0.20 0.00 0.28 3.57 0.12 -3.50 116.94 117.77 1of9 h PHE 52 Ca 0.53 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.03 1of9 h PHE 52 Cb 1.09 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1of9 h PHE 52 CO -0.00 -0.06 0.00 0.41 -2.23 0.00 0.00 178.31 176.43 1of9 n GLY 53 N 1.20 2.58 0.34 2.40 0.00 0.61 -4.76 105.19 107.56 1of9 n GLY 53 Ca -0.03 -0.54 0.18 0.00 0.00 0.00 0.00 46.02 45.63 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 0.49 -0.06 -0.61 5.03 -1.82 1.65 117.51 122.20 1of9 h ILE 54 Ca 0.00 -0.18 -0.09 0.00 -0.12 0.00 0.00 64.86 64.47 1of9 h ILE 54 Cb 0.00 -0.07 -0.01 0.00 -3.03 0.00 0.00 36.82 33.71 1of9 h ILE 54 CO 0.00 0.09 -0.39 0.44 -0.68 0.00 0.00 178.15 177.61 1of9 h ASP 55 N 0.51 0.13 0.24 1.72 5.19 -1.93 -2.75 116.42 119.53 1of9 h ASP 55 Ca 0.64 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.99 1of9 h ASP 55 Cb 1.26 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1of9 h ASP 55 CO -0.51 0.51 -0.11 0.11 -3.12 0.00 0.00 179.24 176.12 1of9 h LYS 56 N 0.11 -0.31 -0.97 3.56 1.79 0.21 -1.41 116.57 119.55 1of9 h LYS 56 Ca 0.01 0.02 0.16 0.00 -2.18 0.00 0.00 60.65 58.66 1of9 h LYS 56 Cb 0.74 0.07 -0.10 0.00 -1.58 0.00 0.00 32.23 31.36 1of9 h LYS 56 CO 0.06 -0.12 0.58 -0.07 -1.08 0.00 0.00 179.45 178.81 1of9 h LEU 57 N -0.43 0.77 -0.91 2.94 3.38 -1.03 0.33 115.31 120.36 1of9 h LEU 57 Ca -0.03 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1of9 h LEU 57 Cb 0.32 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1of9 h LEU 57 CO 0.05 0.32 0.59 0.40 0.09 0.00 0.00 178.44 179.90 1of9 h ILE 58 N 0.79 1.24 0.00 1.22 1.08 -1.15 0.54 117.51 121.23 1of9 h ILE 58 Ca 0.53 -0.44 -0.00 0.00 -0.39 0.00 0.00 64.86 64.56 1of9 h ILE 58 Cb 0.74 -0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 34.40 1of9 h ILE 58 CO -0.35 0.23 -0.01 -0.61 -0.69 0.00 0.00 178.15 176.72 1of9 h GLN 59 N 1.23 0.00 0.20 2.37 4.15 0.73 -2.59 115.11 121.20 1of9 h GLN 59 Ca 0.33 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.74 1of9 h GLN 59 Cb -0.13 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.56 1of9 h GLN 59 CO -0.07 0.01 -0.09 -0.07 -1.93 0.00 0.00 178.83 176.68 1of9 h LEU 60 N 0.00 -0.22 -1.28 -2.39 3.38 -0.34 -3.23 115.31 111.23 1of9 h LEU 60 Ca -0.00 -0.10 0.45 0.00 0.09 0.00 0.00 57.88 58.32 1of9 h LEU 60 Cb 0.05 0.06 -0.14 0.00 0.09 0.00 0.00 40.66 40.72 1of9 h LEU 60 CO 0.00 0.28 0.82 0.00 0.09 0.00 0.00 178.44 179.63 1of9 n ILE 61 N -4.95 -0.25 -0.01 1.22 3.06 -0.94 0.12 119.36 117.61 1of9 n ILE 61 Ca -0.05 1.73 -0.11 0.00 -2.50 0.00 0.00 62.75 61.83 1of9 n ILE 61 Cb 0.16 -2.83 -0.04 0.00 0.54 0.00 0.00 39.64 37.47 1of9 n ILE 61 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 1of9 h GLU 62 N 0.00 -0.39 0.74 9.51 4.39 -1.53 -2.94 114.58 124.36 1of9 h GLU 62 Ca 0.83 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 60.52 1of9 h GLU 62 Cb 2.66 0.09 0.01 0.00 -0.10 0.00 0.00 28.75 31.40 1of9 h GLU 62 CO -0.46 -0.26 -0.35 0.38 -1.16 0.00 0.00 179.01 177.15 1of9 h ASP 63 N -0.40 -0.84 0.00 1.42 2.03 0.83 -3.47 116.42 115.99 1of9 h ASP 63 Ca 0.10 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 1of9 h ASP 63 Cb 0.56 0.22 0.00 0.00 -0.83 0.00 0.00 39.33 39.28 1of9 h ASP 63 CO -0.39 -0.49 0.00 0.29 -1.03 0.00 0.00 179.24 177.63 1of9 n LYS 64 N -5.28 0.00 -3.53 4.15 4.76 -0.75 -5.13 118.16 112.38 1of9 n LYS 64 Ca -0.12 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.03 1of9 n LYS 64 Cb 0.39 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.44 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 0.15 0.91 -0.18 1.01 -1.25 -4.91 120.40 116.12 1of9 s VAL 65 Ca 0.00 -1.28 -0.11 0.00 0.00 0.00 0.00 61.98 60.58 1of9 s VAL 65 Cb 0.00 -1.13 0.18 0.00 0.00 0.00 0.00 36.38 35.43 1of9 s VAL 65 CO 0.00 -0.84 0.40 0.47 0.00 0.00 0.00 175.10 175.13 1of9 n ASP 66 N 4.64 -2.93 -0.05 3.32 8.00 -1.26 -4.20 116.55 124.06 1of9 n ASP 66 Ca 0.03 -0.41 -0.11 0.00 0.71 0.00 0.00 54.79 55.01 1of9 n ASP 66 Cb 0.40 -0.68 -0.05 0.00 -0.02 0.00 0.00 41.12 40.76 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 -2.72 0.22 0.76 2.24 0.00 -1.93 -1.24 119.26 116.59 1of9 h ALA 67 Ca -0.18 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1of9 h ALA 67 Cb 0.62 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1of9 h ALA 67 CO 0.11 -0.15 -0.36 -0.97 0.00 0.00 0.00 179.25 177.87 1of9 h ASN 68 N 0.09 -0.86 -1.24 0.00 -1.24 -1.89 0.15 115.58 110.60 1of9 h ASN 68 Ca 0.05 0.02 0.36 0.00 0.71 0.00 0.00 56.30 57.44 1of9 h ASN 68 Cb 0.24 0.22 -0.07 0.00 0.73 0.00 0.00 38.32 39.44 1of9 h ASN 68 CO -0.00 -0.60 0.86 0.00 -1.29 0.00 0.00 177.43 176.40 1of9 h ALA 69 N -0.82 2.95 0.02 1.57 0.00 -1.86 2.03 119.26 123.15 1of9 h ALA 69 Ca -0.10 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 1of9 h ALA 69 Cb 0.79 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1of9 h ALA 69 CO 0.17 -1.35 -0.99 0.82 0.00 0.00 0.00 179.25 177.90 1of9 h ILE 70 N 0.10 1.42 -0.18 0.00 1.08 -0.33 -2.78 117.51 116.82 1of9 h ILE 70 Ca 0.63 -2.55 0.00 0.00 -0.39 0.00 0.00 64.86 62.55 1of9 h ILE 70 Cb 2.26 2.50 0.00 0.00 -3.07 0.00 0.00 36.82 38.51 1of9 h ILE 70 CO -0.11 0.76 0.00 0.00 -0.69 0.00 0.00 178.15 178.10 1of9 n ALA 72 N 0.11 0.85 0.01 0.00 0.00 0.28 -0.98 120.51 120.79 1of9 n ALA 72 Ca 0.13 -0.65 -0.02 0.00 0.00 0.00 0.00 53.44 52.90 1of9 n ALA 72 Cb 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 19.45 19.39 1of9 n ALA 72 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1of9 h LYS 73 N -1.00 -0.07 0.00 0.00 3.64 -1.61 0.27 116.57 117.79 1of9 h LYS 73 Ca -0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1of9 h LYS 73 Cb 1.27 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1of9 h LYS 73 CO -0.23 -0.05 0.00 0.44 -2.27 0.00 0.00 179.45 177.34 1of9 n ILE 74 N -2.73 1.27 -3.82 2.00 -0.00 -1.25 -4.81 119.36 110.02 1of9 n ILE 74 Ca -0.01 0.32 -0.25 0.00 -0.00 0.00 0.00 62.75 62.81 1of9 n ILE 74 Cb 0.04 -1.27 0.01 0.00 -0.00 0.00 0.00 39.64 38.42 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 -1.35 -1.78 0.74 4.28 -0.00 0.93 -4.82 115.22 113.23 1of9 n HIS 75 Ca 0.01 0.73 0.03 0.00 -0.00 0.00 0.00 57.72 58.49 1of9 n HIS 75 Cb 0.03 -3.90 0.13 0.00 -0.00 0.00 0.00 29.99 26.24 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 -4.31 2.73 1.92 1.57 0.00 -0.15 -4.90 120.51 117.36 1of9 n ALA 76 Ca -0.27 -0.57 0.16 0.00 0.00 0.00 0.00 53.44 52.75 1of9 n ALA 76 Cb 0.67 -1.01 0.88 0.00 0.00 0.00 0.00 19.45 19.98 1of9 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50