#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1soh n PHE 14 N 0.00 0.00 0.06 4.78 -0.00 -1.26 -4.23 117.46 116.81 1soh n PHE 14 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.43 1soh n PHE 14 Cb 0.00 -0.50 -0.07 0.00 -0.00 0.00 0.00 39.48 38.91 1soh n PHE 14 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 176.76 178.13 1soh h LEU 15 N 0.00 0.00 -0.54 -2.13 8.10 -2.06 -3.30 115.31 115.39 1soh h LEU 15 Ca -0.29 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.56 1soh h LEU 15 Cb 1.52 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.72 1soh h LEU 15 CO -0.02 0.72 -0.67 0.74 -4.11 0.00 0.00 178.44 175.09 1soh h THR 16 N 0.00 1.39 0.17 0.15 2.02 -1.99 -2.70 112.91 111.95 1soh h THR 16 Ca -0.10 -2.38 -0.01 0.00 0.77 0.00 0.00 66.41 64.69 1soh h THR 16 Cb 1.64 2.32 0.00 0.00 -1.74 0.00 0.00 68.15 70.37 1soh h THR 16 CO 0.08 0.66 -0.08 0.06 0.37 0.00 0.00 175.52 176.60 1soh h GLN 17 N 0.00 -0.23 -0.46 6.66 3.07 -1.73 -2.53 115.11 119.90 1soh h GLN 17 Ca -0.01 0.02 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 1soh h GLN 17 Cb 1.26 0.05 -0.02 0.00 0.08 0.00 0.00 27.48 28.85 1soh h GLN 17 CO 0.09 -0.06 0.18 0.28 0.09 0.00 0.00 178.83 179.41 1soh h VAL 18 N -0.35 1.17 -0.27 1.86 2.07 -1.66 -0.03 116.25 119.04 1soh h VAL 18 Ca -0.02 -0.54 0.08 0.00 0.82 0.00 0.00 66.70 67.04 1soh h VAL 18 Cb 0.27 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1soh h VAL 18 CO 0.04 0.21 0.29 0.11 0.02 0.00 0.00 177.57 178.24 1soh h LYS 19 N 0.65 0.00 0.00 1.57 1.79 -1.11 1.25 116.57 120.71 1soh h LYS 19 Ca 0.16 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.56 1soh h LYS 19 Cb 0.13 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1soh h LYS 19 CO -0.02 0.00 -0.30 0.93 -1.08 0.00 0.00 179.45 178.98 1soh h GLU 20 N 0.00 0.00 0.00 3.15 5.08 -0.66 -2.52 114.58 119.64 1soh h GLU 20 Ca 0.13 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.26 1soh h GLU 20 Cb 0.71 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1soh h GLU 20 CO -0.00 0.30 -1.57 0.43 -1.00 0.00 0.00 179.01 177.17 1soh n SER 21 N -3.23 1.91 0.29 1.42 7.64 0.30 -2.01 113.62 119.94 1soh n SER 21 Ca 0.02 0.40 0.19 0.00 1.01 0.00 0.00 58.87 60.49 1soh n SER 21 Cb 0.61 -0.84 1.01 0.00 -1.01 0.00 0.00 64.21 63.98 1soh n SER 21 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 1soh h LEU 22 N -1.00 0.00 -1.28 -3.43 8.10 0.94 -0.43 115.31 118.21 1soh h LEU 22 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.64 1soh h LEU 22 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.45 1soh h LEU 22 CO -0.21 0.00 0.00 -1.54 -4.11 0.00 0.00 178.44 172.58 1soh n SER 23 N -2.85 1.49 0.33 0.17 3.41 -0.95 -4.60 113.62 110.62 1soh n SER 23 Ca -0.02 -1.26 0.21 0.00 -0.26 0.00 0.00 58.87 57.54 1soh n SER 23 Cb 0.08 -0.00 1.14 0.00 -0.26 0.00 0.00 64.21 65.17 1soh n SER 23 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1soh h SER 24 N 1.07 0.00 0.32 4.04 0.02 -0.44 0.73 113.55 119.29 1soh h SER 24 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1soh h SER 24 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1soh h SER 24 CO 0.00 0.00 -1.23 -1.22 -1.14 0.00 0.00 176.83 173.24 1soh n TYR 25 N -3.18 0.22 -0.00 3.45 4.02 -1.26 -2.92 117.16 117.49 1soh n TYR 25 Ca -0.03 0.06 -0.02 0.00 -0.01 0.00 0.00 57.90 57.90 1soh n TYR 25 Cb 0.11 -0.42 -0.11 0.00 -0.02 0.00 0.00 39.34 38.89 1soh n TYR 25 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 1soh n TRP 26 N -2.01 0.77 0.12 -0.72 -0.00 0.86 -3.11 117.44 113.35 1soh n TRP 26 Ca 0.01 0.26 0.06 0.00 -0.00 0.00 0.00 57.50 57.83 1soh n TRP 26 Cb 0.46 -1.05 0.02 0.00 -0.00 0.00 0.00 31.31 30.74 1soh n TRP 26 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 1soh h GLU 27 N 0.00 0.00 0.09 5.87 4.22 0.14 -3.33 114.58 121.58 1soh h GLU 27 Ca -0.23 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.05 1soh h GLU 27 Cb 1.72 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.99 1soh h GLU 27 CO 0.05 0.20 -0.65 1.03 -2.18 0.00 0.00 179.01 177.45 1soh h SER 28 N 0.00 0.41 -0.84 1.04 0.87 -1.65 -2.64 113.55 110.74 1soh h SER 28 Ca -0.04 -0.91 0.24 0.00 -1.23 0.00 0.00 61.79 59.85 1soh h SER 28 Cb 1.24 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 63.04 1soh h SER 28 CO 0.03 1.29 0.67 0.00 -0.53 0.00 0.00 176.83 178.28 1soh h ALA 29 N 0.13 2.73 0.00 6.23 0.00 -1.66 0.79 119.26 127.48 1soh h ALA 29 Ca -0.11 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.53 1soh h ALA 29 Cb 1.47 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 1soh h ALA 29 CO 0.12 -1.10 -1.43 -0.22 0.00 0.00 0.00 179.25 176.62 1soh h LYS 30 N 0.00 0.00 -0.02 0.00 1.63 -1.66 -2.92 116.57 113.61 1soh h LYS 30 Ca 0.40 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 60.08 1soh h LYS 30 Cb 1.73 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.34 1soh h LYS 30 CO -0.00 0.61 -0.57 1.79 -3.45 0.00 0.00 179.45 177.83 1soh h THR 31 N 0.00 1.40 -0.39 1.00 1.35 0.85 -2.99 112.91 114.13 1soh h THR 31 Ca -0.19 -1.93 0.00 0.00 -0.55 0.00 0.00 66.41 63.75 1soh h THR 31 Cb 1.87 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 70.31 1soh h THR 31 CO 0.09 0.56 0.00 0.00 -0.25 0.00 0.00 175.52 175.91 1soh n ALA 32 N -2.44 3.19 -0.13 6.62 0.00 0.15 -4.52 120.51 123.38 1soh n ALA 32 Ca -0.02 -2.06 -0.27 0.00 0.00 0.00 0.00 53.44 51.10 1soh n ALA 32 Cb 0.58 -0.83 -0.10 0.00 0.00 0.00 0.00 19.45 19.09 1soh n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1soh n ALA 33 N 0.02 1.05 0.31 0.00 0.00 -1.10 -3.74 120.51 117.05 1soh n ALA 33 Ca 0.23 -0.90 0.19 0.00 0.00 0.00 0.00 53.44 52.96 1soh n ALA 33 Cb 0.94 -0.09 1.05 0.00 0.00 0.00 0.00 19.45 21.36 1soh n ALA 33 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1soh h GLN 34 N -1.00 0.00 0.10 0.00 4.20 -1.79 0.18 115.11 116.80 1soh h GLN 34 Ca -0.58 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.13 1soh h GLN 34 Cb 1.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.28 1soh h GLN 34 CO -0.35 0.00 -0.05 -0.97 -0.67 0.00 0.00 178.83 176.79 1soh h ASN 35 N 0.00 -0.11 -0.30 1.46 -0.73 -1.80 -3.15 115.58 110.94 1soh h ASN 35 Ca 0.01 0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.21 1soh h ASN 35 Cb 0.05 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 1soh h ASN 35 CO -0.00 0.16 0.20 0.17 -0.37 0.00 0.00 177.43 177.59 1soh h LEU 36 N -0.62 0.23 -0.31 0.34 8.10 -1.61 0.67 115.31 122.11 1soh h LEU 36 Ca -0.01 -0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.97 1soh h LEU 36 Cb 0.10 -0.05 0.00 0.00 -0.44 0.00 0.00 40.66 40.27 1soh h LEU 36 CO 0.02 0.16 0.00 -1.22 -4.11 0.00 0.00 178.44 173.29 1soh n TYR 37 N -4.49 0.35 -0.00 0.17 4.01 0.61 -2.38 117.16 115.43 1soh n TYR 37 Ca 0.03 0.14 -0.07 0.00 -0.16 0.00 0.00 57.90 57.83 1soh n TYR 37 Cb 0.18 -0.72 -0.13 0.00 -0.31 0.00 0.00 39.34 38.35 1soh n TYR 37 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1soh h GLU 38 N 0.00 0.00 -0.65 -0.72 4.57 -0.81 -2.71 114.58 114.25 1soh h GLU 38 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1soh h GLU 38 Cb 0.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1soh h GLU 38 CO 0.00 0.54 0.00 1.63 -1.18 0.00 0.00 179.01 180.00 1soh n LYS 39 N -3.07 3.78 0.00 1.92 5.02 -1.00 -4.19 118.16 120.61 1soh n LYS 39 Ca -0.13 -2.80 0.00 0.00 -2.02 0.00 0.00 58.31 53.35 1soh n LYS 39 Cb 1.00 -1.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 1soh n LYS 39 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1soh n THR 40 N 1.05 0.00 -0.88 -0.18 5.66 -1.11 -4.79 114.28 114.02 1soh n THR 40 Ca 0.25 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 61.04 1soh n THR 40 Cb 0.90 -0.30 0.13 0.00 -1.55 0.00 0.00 70.33 69.52 1soh n THR 40 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1soh n TYR 41 N -1.60 2.54 -0.47 1.09 9.36 -1.02 -4.71 117.16 122.36 1soh n TYR 41 Ca 0.00 -1.77 -0.28 0.00 3.32 0.00 0.00 57.90 59.16 1soh n TYR 41 Cb 0.21 -0.90 0.27 0.00 -0.63 0.00 0.00 39.34 38.29 1soh n TYR 41 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1soh s LEU 42 N -2.77 0.35 0.01 2.98 1.43 -1.26 -4.79 118.68 114.63 1soh s LEU 42 Ca 0.48 1.41 0.04 0.00 -1.03 0.00 0.00 54.13 55.02 1soh s LEU 42 Cb 0.40 -3.19 0.17 0.00 0.03 0.00 0.00 46.19 43.60 1soh s LEU 42 CO 0.07 -4.54 1.13 -2.65 0.23 0.00 0.00 176.35 170.59 1soh n PRO 43 N -5.13 0.00 0.00 1.29 -0.02 -1.26 -1.17 135.00 128.71 1soh n PRO 43 Ca 0.04 0.44 0.12 0.00 -2.02 0.00 0.00 63.50 62.08 1soh n PRO 43 Cb 0.55 -1.51 0.26 0.00 -0.02 0.00 0.00 33.50 32.78 1soh n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1soh n ALA 44 N -1.51 3.40 0.28 3.55 0.00 -1.26 -3.90 120.51 121.07 1soh n ALA 44 Ca 0.01 -0.43 0.14 0.00 0.00 0.00 0.00 53.44 53.16 1soh n ALA 44 Cb 0.04 -1.07 0.80 0.00 0.00 0.00 0.00 19.45 19.22 1soh n ALA 44 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1soh h VAL 45 N 0.86 0.52 0.00 0.00 3.04 -1.43 0.10 116.25 119.34 1soh h VAL 45 Ca 0.00 -0.37 -0.05 0.00 -1.01 0.00 0.00 66.70 65.27 1soh h VAL 45 Cb 0.53 1.24 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 1soh h VAL 45 CO 0.00 0.08 -0.24 -0.78 -1.01 0.00 0.00 177.57 175.62 1soh h ASP 46 N 0.00 0.00 -0.01 3.17 1.82 -1.77 -0.37 116.42 119.26 1soh h ASP 46 Ca -0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 1soh h ASP 46 Cb 0.23 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.20 1soh h ASP 46 CO 0.01 0.24 -0.56 1.21 -1.61 0.00 0.00 179.24 178.53 1soh n GLU 47 N -3.21 1.44 0.15 0.28 2.13 -0.16 -4.83 120.64 116.44 1soh n GLU 47 Ca 0.02 -3.18 0.00 0.00 0.66 0.00 0.00 57.16 54.66 1soh n GLU 47 Cb 0.57 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.82 1soh n GLU 47 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1soh n LYS 48 N -0.95 0.00 -4.24 5.31 4.81 0.18 -4.91 118.16 118.37 1soh n LYS 48 Ca 0.18 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.25 1soh n LYS 48 Cb 0.74 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.76 1soh n LYS 48 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1soh n LEU 49 N -3.21 -1.68 -2.41 3.14 0.00 -0.15 0.11 117.00 112.80 1soh n LEU 49 Ca 0.00 -1.02 -0.19 0.00 0.00 0.00 0.00 56.01 54.80 1soh n LEU 49 Cb 0.00 -2.07 0.01 0.00 0.00 0.00 0.00 43.42 41.36 1soh n LEU 49 CO 0.00 0.28 -0.12 0.54 0.00 0.00 0.00 177.39 178.10 1soh n ARG 50 N -4.38 -2.96 -0.03 1.96 5.12 -1.26 -4.87 116.66 110.24 1soh n ARG 50 Ca 0.08 0.85 0.01 0.00 -1.93 0.00 0.00 57.85 56.86 1soh n ARG 50 Cb 0.49 -5.44 -0.09 0.00 -1.16 0.00 0.00 32.46 26.25 1soh n ARG 50 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1soh n ASP 51 N -1.79 2.25 -0.87 0.55 2.03 0.30 -4.43 116.55 114.59 1soh n ASP 51 Ca -0.16 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.19 1soh n ASP 51 Cb 0.64 1.20 0.17 0.00 -0.72 0.00 0.00 41.12 42.40 1soh n ASP 51 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1soh n LEU 52 N -2.14 2.47 -0.09 -2.67 7.94 -1.25 -3.89 117.00 117.37 1soh n LEU 52 Ca -0.09 -1.24 -0.15 0.00 -1.11 0.00 0.00 56.01 53.41 1soh n LEU 52 Cb 0.56 -0.40 -0.08 0.00 0.53 0.00 0.00 43.42 44.03 1soh n LEU 52 CO 0.25 0.44 -1.11 -1.22 -1.11 0.00 0.00 177.39 174.63 1soh n TYR 53 N 0.39 0.00 -3.17 1.96 4.01 -1.26 -4.99 117.16 114.09 1soh n TYR 53 Ca 0.12 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.66 1soh n TYR 53 Cb 0.48 -0.68 -0.01 0.00 -0.31 0.00 0.00 39.34 38.82 1soh n TYR 53 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1soh n SER 54 N -3.34 -3.40 -1.36 7.72 2.88 -1.25 0.69 113.62 115.55 1soh n SER 54 Ca -0.34 -0.24 -0.14 0.00 -1.33 0.00 0.00 58.87 56.82 1soh n SER 54 Cb 0.81 -2.85 -0.06 0.00 -0.75 0.00 0.00 64.21 61.36 1soh n SER 54 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1soh n LYS 55 N -3.46 -1.36 0.25 -1.46 5.02 -1.26 -4.84 118.16 111.06 1soh n LYS 55 Ca -0.03 0.85 -0.10 0.00 -2.02 0.00 0.00 58.31 57.01 1soh n LYS 55 Cb 0.55 -5.11 -0.05 0.00 -0.02 0.00 0.00 35.03 30.40 1soh n LYS 55 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1soh h SER 56 N 0.00 -0.56 0.00 4.39 0.87 -0.13 -3.40 113.55 114.72 1soh h SER 56 Ca -0.29 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1soh h SER 56 Cb 0.96 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1soh h SER 56 CO 0.42 -0.34 -0.26 1.07 -0.53 0.00 0.00 176.83 177.19 1soh n THR 57 N -4.09 0.74 0.02 2.23 5.66 -1.26 -4.75 114.28 112.84 1soh n THR 57 Ca -0.08 -0.88 -0.19 0.00 -3.05 0.00 0.00 64.05 59.84 1soh n THR 57 Cb 0.26 0.26 -0.10 0.00 -1.55 0.00 0.00 70.33 69.21 1soh n THR 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1soh h ALA 58 N 0.00 0.15 0.00 1.79 0.00 -1.83 -1.04 119.26 118.34 1soh h ALA 58 Ca 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 54.91 54.21 1soh h ALA 58 Cb 1.18 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1soh h ALA 58 CO 0.00 0.62 -0.21 0.00 0.00 0.00 0.00 179.25 179.66 1soh h ALA 59 N 0.42 0.89 0.00 0.00 0.00 -1.86 -3.03 119.26 115.67 1soh h ALA 59 Ca -0.11 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 1soh h ALA 59 Cb 1.57 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 1soh h ALA 59 CO 0.18 0.26 -1.00 1.98 0.00 0.00 0.00 179.25 180.67 1soh h MET 60 N 0.00 0.00 -0.73 0.00 4.05 -1.84 -3.32 114.93 113.09 1soh h MET 60 Ca -0.00 0.00 -0.47 0.00 -0.28 0.00 0.00 59.70 58.95 1soh h MET 60 Cb 1.07 0.00 -0.27 0.00 -0.80 0.00 0.00 31.60 31.60 1soh h MET 60 CO 0.03 0.52 0.12 0.43 0.23 0.00 0.00 176.91 178.24 1soh n SER 61 N -3.12 4.80 -0.00 1.39 7.64 -0.40 -4.43 113.62 119.49 1soh n SER 61 Ca -0.04 -3.76 0.08 0.00 1.01 0.00 0.00 58.87 56.16 1soh n SER 61 Cb 0.83 -0.70 -0.12 0.00 -1.01 0.00 0.00 64.21 63.22 1soh n SER 61 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1soh n THR 62 N -0.97 0.00 -0.22 0.44 -1.04 -1.15 -4.44 114.28 106.90 1soh n THR 62 Ca 0.49 -0.27 0.31 0.00 -2.04 0.00 0.00 64.05 62.54 1soh n THR 62 Cb 1.00 0.50 0.67 0.00 -1.82 0.00 0.00 70.33 70.68 1soh n THR 62 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1soh h TYR 63 N 0.00 0.00 -0.72 -1.42 -1.99 -1.82 0.48 116.97 111.50 1soh h TYR 63 Ca 0.00 0.00 0.21 0.00 2.00 0.00 0.00 58.73 60.94 1soh h TYR 63 Cb 0.62 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.32 1soh h TYR 63 CO 0.00 0.00 0.67 1.15 -0.00 0.00 0.00 178.16 179.98 1soh h THR 64 N 0.00 0.35 -0.01 -2.88 2.02 -1.94 0.79 112.91 111.24 1soh h THR 64 Ca 0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.66 1soh h THR 64 Cb 2.28 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1soh h THR 64 CO -0.01 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.49 1soh n GLY 65 N -1.61 -0.88 0.00 2.16 0.00 0.17 -4.58 105.19 100.45 1soh n GLY 65 Ca 0.15 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.08 1soh n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1soh n ILE 66 N 0.23 0.00 -0.49 -0.61 2.08 0.83 -4.39 119.36 117.02 1soh n ILE 66 Ca 0.03 -0.32 0.43 0.00 0.56 0.00 0.00 62.75 63.45 1soh n ILE 66 Cb 0.12 0.95 0.79 0.00 -0.75 0.00 0.00 39.64 40.74 1soh n ILE 66 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1soh h PHE 67 N 0.00 0.00 0.00 1.39 3.57 0.15 0.93 116.94 122.99 1soh h PHE 67 Ca 0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1soh h PHE 67 Cb 0.18 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1soh h PHE 67 CO 0.00 0.00 -1.67 2.41 -2.23 0.00 0.00 178.31 176.82 1soh n THR 68 N -4.07 0.32 0.04 4.41 -1.04 -1.26 -4.33 114.28 108.35 1soh n THR 68 Ca 0.34 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.05 61.85 1soh n THR 68 Cb 1.59 -0.15 -0.01 0.00 -1.82 0.00 0.00 70.33 69.94 1soh n THR 68 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1soh h ASP 69 N 0.00 0.58 0.23 8.00 3.32 -0.58 0.13 116.42 128.10 1soh h ASP 69 Ca -0.13 -0.40 -0.08 0.00 0.02 0.00 0.00 57.03 56.43 1soh h ASP 69 Cb 1.03 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 1soh h ASP 69 CO 0.01 1.17 -0.33 -0.61 -1.72 0.00 0.00 179.24 177.76 1soh h GLN 70 N 0.31 0.16 0.15 3.56 4.15 0.43 -2.22 115.11 121.66 1soh h GLN 70 Ca -0.05 -0.06 -0.31 0.00 0.77 0.00 0.00 58.65 59.00 1soh h GLN 70 Cb 1.40 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.09 1soh h GLN 70 CO 0.14 0.48 -1.55 0.28 -1.93 0.00 0.00 178.83 176.26 1soh h VAL 71 N 0.14 1.01 -0.03 2.39 2.07 -1.72 -3.25 116.25 116.86 1soh h VAL 71 Ca 0.02 -2.46 0.01 0.00 0.82 0.00 0.00 66.70 65.08 1soh h VAL 71 Cb 0.66 2.77 -0.00 0.00 -1.52 0.00 0.00 31.29 33.20 1soh h VAL 71 CO 0.05 0.78 0.03 -0.07 0.02 0.00 0.00 177.57 178.38 1soh h LEU 72 N -0.10 0.00 -0.11 2.57 4.07 -0.68 -0.72 115.31 120.33 1soh h LEU 72 Ca -0.32 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.45 1soh h LEU 72 Cb 1.93 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.64 1soh h LEU 72 CO 0.12 0.00 -0.91 0.28 -1.08 0.00 0.00 178.44 176.86 1soh h SER 73 N 0.00 0.00 -0.32 -0.43 0.02 -1.51 -3.22 113.55 108.09 1soh h SER 73 Ca 0.02 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1soh h SER 73 Cb 0.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1soh h SER 73 CO -0.00 0.91 0.22 0.58 -1.14 0.00 0.00 176.83 177.40 1soh h VAL 74 N 0.00 0.93 -0.04 2.27 2.07 -1.15 0.12 116.25 120.45 1soh h VAL 74 Ca -0.01 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1soh h VAL 74 Cb 1.64 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1soh h VAL 74 CO 0.12 0.03 0.05 -0.07 0.02 0.00 0.00 177.57 177.72 1soh h LEU 75 N 0.18 0.00 -6.04 2.57 -0.00 -1.56 -3.40 115.31 107.05 1soh h LEU 75 Ca 0.14 0.00 0.27 0.00 -0.00 0.00 0.00 57.88 58.30 1soh h LEU 75 Cb 0.35 0.00 -0.24 0.00 -0.00 0.00 0.00 40.66 40.77 1soh h LEU 75 CO -0.02 0.00 0.40 -0.54 -0.00 0.00 0.00 178.44 178.28 1soh s LYS 76 N -4.53 0.05 0.00 1.13 -0.14 0.38 -4.97 119.74 111.65 1soh s LYS 76 Ca -0.05 0.11 0.00 0.00 -1.36 0.00 0.00 55.97 54.67 1soh s LYS 76 Cb 0.15 0.06 0.00 0.00 -1.68 0.00 0.00 37.83 36.36 1soh s LYS 76 CO 0.51 -0.04 0.00 0.41 -0.76 0.00 0.00 175.35 175.48 1soh n GLY 77 N 5.04 1.04 2.64 -3.33 0.00 -1.15 -4.68 105.19 104.74 1soh n GLY 77 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 1soh n GLY 77 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1soh n GLU 78 N -0.58 -2.68 0.00 1.61 2.13 -0.97 -4.95 120.64 115.20 1soh n GLU 78 Ca 0.00 0.23 0.14 0.00 0.66 0.00 0.00 57.16 58.18 1soh n GLU 78 Cb 0.00 -4.78 0.43 0.00 0.27 0.00 0.00 31.44 27.36 1soh n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81