#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 0.07 4.78 7.35 -1.26 -4.52 117.46 123.88 1soh n PHE 14 Ca 0.00 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.59 1soh n PHE 14 Cb 0.00 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 39.70 1soh n PHE 14 CO 0.00 0.00 0.00 1.37 -0.76 0.00 0.00 176.76 177.37 1soh h LEU 15 N 0.00 0.12 -0.90 -2.13 8.10 -2.06 -3.24 115.31 115.20 1soh h LEU 15 Ca 0.00 -0.13 -0.11 0.00 0.11 0.00 0.00 57.88 57.75 1soh h LEU 15 Cb 0.00 -0.04 -0.02 0.00 -0.44 0.00 0.00 40.66 40.16 1soh h LEU 15 CO 0.00 1.11 -0.51 0.74 -4.11 0.00 0.00 178.44 175.66 1soh h THR 16 N 0.02 1.26 0.24 0.15 2.02 -1.99 -2.49 112.91 112.12 1soh h THR 16 Ca -0.06 -1.82 -0.01 0.00 0.77 0.00 0.00 66.41 65.29 1soh h THR 16 Cb 1.84 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 70.26 1soh h THR 16 CO 0.15 0.50 -0.11 0.06 0.37 0.00 0.00 175.52 176.49 1soh h GLN 17 N 0.00 -0.31 -0.44 6.66 3.07 -1.92 -2.54 115.11 119.63 1soh h GLN 17 Ca -0.01 0.02 -0.02 0.00 0.09 0.00 0.00 58.65 58.73 1soh h GLN 17 Cb 0.97 0.07 -0.02 0.00 0.08 0.00 0.00 27.48 28.58 1soh h GLN 17 CO 0.07 -0.12 0.17 0.28 0.09 0.00 0.00 178.83 179.31 1soh h VAL 18 N -0.43 1.17 -0.27 1.86 2.07 -1.63 -0.09 116.25 118.94 1soh h VAL 18 Ca -0.03 -0.54 0.08 0.00 0.82 0.00 0.00 66.70 67.03 1soh h VAL 18 Cb 0.33 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1soh h VAL 18 CO 0.05 0.21 0.30 0.50 0.02 0.00 0.00 177.57 178.65 1soh h LYS 19 N 0.63 0.00 0.00 1.57 3.64 -1.04 1.22 116.57 122.58 1soh h LYS 19 Ca 0.15 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 1soh h LYS 19 Cb 0.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1soh h LYS 19 CO -0.01 0.00 -0.42 0.93 -2.27 0.00 0.00 179.45 177.68 1soh h GLU 20 N 0.00 0.00 0.00 1.90 5.08 -0.67 -2.20 114.58 118.69 1soh h GLU 20 Ca 0.13 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.28 1soh h GLU 20 Cb 0.72 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1soh h GLU 20 CO -0.00 0.42 -1.48 0.43 -1.00 0.00 0.00 179.01 177.38 1soh n SER 21 N -3.33 1.90 0.30 1.42 7.64 0.31 -1.76 113.62 120.10 1soh n SER 21 Ca 0.01 0.41 0.20 0.00 1.01 0.00 0.00 58.87 60.51 1soh n SER 21 Cb 0.63 -0.84 1.06 0.00 -1.01 0.00 0.00 64.21 64.04 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 -1.93 -3.43 8.10 0.87 -0.70 115.31 117.22 1soh h LEU 22 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.67 1soh h LEU 22 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.40 1soh h LEU 22 CO -0.19 0.00 0.00 -0.24 -4.11 0.00 0.00 178.44 173.90 1soh n SER 23 N -2.92 1.64 0.31 0.17 2.88 -0.82 -4.65 113.62 110.23 1soh n SER 23 Ca -0.02 -1.50 0.19 0.00 -1.33 0.00 0.00 58.87 56.21 1soh n SER 23 Cb 0.09 -0.02 1.05 0.00 -0.75 0.00 0.00 64.21 64.57 1soh n SER 23 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1soh h SER 24 N 0.45 0.00 0.11 -3.46 0.87 -0.28 0.73 113.55 111.97 1soh h SER 24 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1soh h SER 24 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1soh h SER 24 CO 0.00 0.00 -1.25 0.00 -0.53 0.00 0.00 176.83 175.05 1soh n TYR 25 N -3.37 0.06 0.02 2.24 4.19 -1.26 -3.46 117.16 115.58 1soh n TYR 25 Ca -0.02 0.02 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1soh n TYR 25 Cb 0.14 -0.23 -0.09 0.00 0.49 0.00 0.00 39.34 39.65 1soh n TYR 25 CO 0.00 0.00 0.00 1.87 0.91 0.00 0.00 176.86 179.64 1soh n TRP 26 N -1.80 0.84 0.14 2.98 -0.00 0.84 -3.32 117.44 117.12 1soh n TRP 26 Ca 0.01 0.28 0.05 0.00 -0.00 0.00 0.00 57.50 57.85 1soh n TRP 26 Cb 0.42 -1.04 0.04 0.00 -0.00 0.00 0.00 31.31 30.73 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 0.02 5.87 4.57 0.14 -3.31 114.58 121.86 1soh h GLU 27 Ca -0.18 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 57.92 1soh h GLU 27 Cb 1.58 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.17 1soh h GLU 27 CO 0.04 0.29 -0.33 1.03 -1.18 0.00 0.00 179.01 178.86 1soh h SER 28 N 0.00 0.25 -0.83 1.04 0.87 -1.67 -2.50 113.55 110.71 1soh h SER 28 Ca -0.03 -0.84 0.24 0.00 -1.23 0.00 0.00 61.79 59.94 1soh h SER 28 Cb 1.28 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 63.13 1soh h SER 28 CO 0.04 1.06 0.69 0.00 -0.53 0.00 0.00 176.83 178.08 1soh h ALA 29 N 0.20 2.71 0.00 6.23 0.00 -1.66 0.86 119.26 127.60 1soh h ALA 29 Ca -0.05 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 1soh h ALA 29 Cb 1.13 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1soh h ALA 29 CO 0.06 -1.11 -1.43 -0.22 0.00 0.00 0.00 179.25 176.55 1soh h LYS 30 N 0.00 0.00 0.00 0.00 1.63 -1.64 -2.82 116.57 113.74 1soh h LYS 30 Ca 0.40 -0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 60.10 1soh h LYS 30 Cb 1.76 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.38 1soh h LYS 30 CO -0.00 0.69 -0.46 1.79 -3.45 0.00 0.00 179.45 178.02 1soh h THR 31 N 0.00 1.30 -0.53 1.00 1.35 0.11 -2.80 112.91 113.35 1soh h THR 31 Ca -0.18 -1.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.08 1soh h THR 31 Cb 1.92 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 70.21 1soh h THR 31 CO 0.10 0.45 0.00 0.00 -0.25 0.00 0.00 175.52 175.82 1soh n ALA 32 N -2.44 2.31 -0.10 6.62 0.00 -0.26 -4.46 120.51 122.19 1soh n ALA 32 Ca -0.01 -1.18 -0.18 0.00 0.00 0.00 0.00 53.44 52.06 1soh n ALA 32 Cb 0.49 -0.72 -0.09 0.00 0.00 0.00 0.00 19.45 19.13 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 1.19 0.74 0.30 0.00 0.00 -1.06 -3.56 120.51 118.12 1soh n ALA 33 Ca 0.19 -0.52 0.19 0.00 0.00 0.00 0.00 53.44 53.29 1soh n ALA 33 Cb 0.54 -0.37 1.00 0.00 0.00 0.00 0.00 19.45 20.62 1soh n ALA 33 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1soh h GLN 34 N -1.00 0.00 0.16 0.00 5.75 -1.78 0.15 115.11 118.39 1soh h GLN 34 Ca -0.29 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.20 1soh h GLN 34 Cb 1.15 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.70 1soh h GLN 34 CO -0.18 0.00 -0.08 -0.97 -2.65 0.00 0.00 178.83 174.96 1soh h ASN 35 N 0.00 -0.18 -0.66 -0.69 -1.24 -1.78 -3.01 115.58 108.02 1soh h ASN 35 Ca 0.02 0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.06 1soh h ASN 35 Cb 0.22 0.05 -0.03 0.00 0.73 0.00 0.00 38.32 39.29 1soh h ASN 35 CO -0.00 0.09 0.43 0.17 -1.29 0.00 0.00 177.43 176.84 1soh h LEU 36 N -0.66 0.71 -1.05 0.34 8.10 -1.55 -0.00 115.31 121.19 1soh h LEU 36 Ca -0.02 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.95 1soh h LEU 36 Cb 0.16 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 40.21 1soh h LEU 36 CO 0.04 0.50 0.00 1.88 -4.11 0.00 0.00 178.44 176.75 1soh h TYR 37 N 0.83 0.00 0.00 0.17 -1.99 -0.83 -2.03 116.97 113.12 1soh h TYR 37 Ca 0.25 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.83 1soh h TYR 37 Cb -0.01 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.70 1soh h TYR 37 CO -0.00 0.00 -0.71 1.49 -0.00 0.00 0.00 178.16 178.94 1soh h GLU 38 N 0.00 0.00 -0.57 4.88 4.81 -0.84 -3.12 114.58 119.74 1soh h GLU 38 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1soh h GLU 38 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1soh h GLU 38 CO 0.00 0.71 0.00 1.17 -0.73 0.00 0.00 179.01 180.16 1soh n LYS 39 N -3.39 2.58 -3.33 1.92 3.00 -0.77 -4.94 118.16 113.23 1soh n LYS 39 Ca 0.00 -1.75 -0.16 0.00 -0.00 0.00 0.00 58.31 56.41 1soh n LYS 39 Cb 0.78 -1.59 0.05 0.00 0.00 0.00 0.00 35.03 34.26 1soh n LYS 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1soh n THR 40 N 0.65 -8.39 -1.52 3.15 -1.04 -1.18 -4.93 114.28 101.02 1soh n THR 40 Ca 0.16 -0.97 -0.08 0.00 -2.04 0.00 0.00 64.05 61.13 1soh n THR 40 Cb 0.56 -5.96 0.18 0.00 -1.82 0.00 0.00 70.33 63.28 1soh n THR 40 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1soh n TYR 41 N -3.11 1.31 -2.86 -1.42 4.19 -1.22 -5.02 117.16 109.02 1soh n TYR 41 Ca -0.07 -1.74 -0.40 0.00 3.31 0.00 0.00 57.90 59.00 1soh n TYR 41 Cb 0.59 -0.52 -0.06 0.00 0.49 0.00 0.00 39.34 39.84 1soh n TYR 41 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1soh s LEU 42 N -3.32 4.60 0.03 2.98 1.02 -1.26 -4.97 118.68 117.75 1soh s LEU 42 Ca 0.46 1.77 -0.14 0.00 0.02 0.00 0.00 54.13 56.24 1soh s LEU 42 Cb 0.41 -3.45 -0.08 0.00 0.02 0.00 0.00 46.19 43.10 1soh s LEU 42 CO -0.00 0.15 1.22 -0.65 0.02 0.00 0.00 176.35 177.08 1soh h PRO 43 N 4.49 -0.47 0.00 1.29 0.11 -2.04 -3.44 132.00 131.95 1soh h PRO 43 Ca -0.46 0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 1soh h PRO 43 Cb 1.20 0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 1soh h PRO 43 CO 0.68 -0.31 -0.04 0.00 -0.21 0.00 0.00 178.00 178.11 1soh n ALA 44 N -2.32 2.20 -0.00 -0.75 0.00 -1.26 -4.93 120.51 113.45 1soh n ALA 44 Ca -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 1soh n ALA 44 Cb 0.20 -0.05 0.27 0.00 0.00 0.00 0.00 19.45 19.87 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 5.03 1.22 0.00 0.00 3.04 -1.90 0.55 116.25 124.19 1soh h VAL 45 Ca -0.07 -0.92 -0.04 0.00 -1.01 0.00 0.00 66.70 64.67 1soh h VAL 45 Cb 1.05 1.04 -0.01 0.00 -2.01 0.00 0.00 31.29 31.37 1soh h VAL 45 CO -0.03 0.31 -0.19 0.44 -1.01 0.00 0.00 177.57 177.08 1soh h ASP 46 N 0.49 0.00 0.00 3.17 5.19 -1.91 -3.26 116.42 120.10 1soh h ASP 46 Ca 0.10 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1soh h ASP 46 Cb 0.42 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1soh h ASP 46 CO 0.02 0.19 -0.31 -0.33 -3.12 0.00 0.00 179.24 175.69 1soh h GLU 47 N 0.00 0.00 0.00 3.56 5.08 -1.56 -3.48 114.58 118.17 1soh h GLU 47 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1soh h GLU 47 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1soh h GLU 47 CO 0.02 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.20 1soh n LYS 48 N -4.14 0.00 -0.11 2.33 4.81 0.17 -4.87 118.16 116.34 1soh n LYS 48 Ca -0.04 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.26 1soh n LYS 48 Cb 0.16 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.08 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 0.00 1.79 -0.86 3.14 0.00 0.31 -4.83 117.00 116.55 1soh n LEU 49 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 56.01 55.88 1soh n LEU 49 Cb 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 43.42 43.05 1soh n LEU 49 CO 0.00 0.73 0.26 0.54 0.00 0.00 0.00 177.39 178.92 1soh n ARG 50 N -3.00 0.00 -0.00 1.96 5.12 -1.26 -4.88 116.66 114.59 1soh n ARG 50 Ca -0.38 -0.73 0.00 0.00 -1.93 0.00 0.00 57.85 54.81 1soh n ARG 50 Cb 1.02 0.48 -0.01 0.00 -1.16 0.00 0.00 32.46 32.79 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 0.00 4.79 -1.14 0.55 -0.08 -1.23 -4.50 116.55 114.93 1soh n ASP 51 Ca -0.20 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.12 1soh n ASP 51 Cb 0.58 0.96 0.21 0.00 2.34 0.00 0.00 41.12 45.22 1soh n ASP 51 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1soh n LEU 52 N -1.61 3.26 0.01 -2.67 7.94 -1.26 -4.18 117.00 118.49 1soh n LEU 52 Ca -0.00 -1.65 0.00 0.00 -1.11 0.00 0.00 56.01 53.25 1soh n LEU 52 Cb 0.10 -0.52 0.00 0.00 0.53 0.00 0.00 43.42 43.52 1soh n LEU 52 CO 0.02 0.48 -0.37 0.00 -1.11 0.00 0.00 177.39 176.41 1soh n TYR 53 N 0.42 -0.05 -3.81 1.96 9.36 -1.26 -5.01 117.16 118.77 1soh n TYR 53 Ca 0.15 0.01 -0.26 0.00 3.32 0.00 0.00 57.90 61.12 1soh n TYR 53 Cb 0.67 0.08 0.03 0.00 -0.63 0.00 0.00 39.34 39.49 1soh n TYR 53 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1soh n SER 54 N -2.99 -3.22 -1.13 2.98 7.64 -1.26 -0.01 113.62 115.63 1soh n SER 54 Ca 0.00 -0.79 -0.15 0.00 1.01 0.00 0.00 58.87 58.94 1soh n SER 54 Cb 0.37 -4.00 -0.06 0.00 -1.01 0.00 0.00 64.21 59.51 1soh n SER 54 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1soh n LYS 55 N -4.52 -1.62 -0.09 1.43 5.02 -1.26 -4.84 118.16 112.28 1soh n LYS 55 Ca -0.11 1.01 -0.06 0.00 -2.02 0.00 0.00 58.31 57.13 1soh n LYS 55 Cb 0.60 -5.43 0.01 0.00 -0.02 0.00 0.00 35.03 30.19 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 -0.08 0.00 4.39 0.87 -0.83 -3.34 113.55 114.55 1soh h SER 56 Ca -0.30 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.31 1soh h SER 56 Cb 1.25 0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 63.27 1soh h SER 56 CO 0.44 -0.01 -0.51 0.41 -0.53 0.00 0.00 176.83 176.63 1soh n THR 57 N -5.15 0.00 0.05 2.23 -1.04 -1.26 -4.84 114.28 104.28 1soh n THR 57 Ca 0.01 -0.11 -0.20 0.00 -2.04 0.00 0.00 64.05 61.70 1soh n THR 57 Cb 0.16 0.51 -0.14 0.00 -1.82 0.00 0.00 70.33 69.04 1soh n THR 57 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1soh h ALA 58 N 0.11 -0.05 0.00 2.41 0.00 -1.91 -2.44 119.26 117.38 1soh h ALA 58 Ca -0.03 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 54.15 1soh h ALA 58 Cb 1.42 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1soh h ALA 58 CO 0.01 0.44 -0.14 0.00 0.00 0.00 0.00 179.25 179.56 1soh h ALA 59 N 0.18 0.96 0.00 0.00 0.00 -1.89 -3.03 119.26 115.48 1soh h ALA 59 Ca -0.14 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.42 1soh h ALA 59 Cb 1.65 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 1soh h ALA 59 CO 0.17 0.18 -1.09 1.98 0.00 0.00 0.00 179.25 180.49 1soh h MET 60 N 0.00 0.00 -0.96 0.00 4.05 -1.88 -3.28 114.93 112.86 1soh h MET 60 Ca -0.00 0.00 -0.52 0.00 -0.28 0.00 0.00 59.70 58.90 1soh h MET 60 Cb 0.82 0.00 -0.30 0.00 -0.80 0.00 0.00 31.60 31.33 1soh h MET 60 CO 0.02 0.90 0.64 0.43 0.23 0.00 0.00 176.91 179.12 1soh n SER 61 N -3.29 4.10 -0.00 1.39 7.64 -0.92 -4.20 113.62 118.34 1soh n SER 61 Ca -0.03 -3.64 0.09 0.00 1.01 0.00 0.00 58.87 56.30 1soh n SER 61 Cb 0.95 -0.84 -0.13 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.12 0.00 -0.22 0.44 -1.04 -1.18 -4.40 114.28 106.76 1soh n THR 62 Ca 0.59 -0.26 0.31 0.00 -2.04 0.00 0.00 64.05 62.65 1soh n THR 62 Cb 1.53 0.51 0.68 0.00 -1.82 0.00 0.00 70.33 71.23 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 -0.75 -1.42 -1.99 -1.80 0.55 116.97 111.56 1soh h TYR 63 Ca 0.00 0.00 0.22 0.00 2.00 0.00 0.00 58.73 60.95 1soh h TYR 63 Cb 0.66 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.36 1soh h TYR 63 CO 0.00 0.00 0.66 1.15 -0.00 0.00 0.00 178.16 179.97 1soh h THR 64 N 0.00 0.38 -0.02 -2.88 2.02 -1.92 0.82 112.91 111.30 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 2.26 0.50 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 -1.62 -0.52 0.03 2.16 0.00 0.19 -4.58 105.19 100.84 1soh n GLY 65 Ca 0.15 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.11 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 0.11 0.00 -0.46 -0.61 5.41 0.76 -4.40 119.36 120.17 1soh n ILE 66 Ca 0.02 -0.36 0.42 0.00 1.00 0.00 0.00 62.75 63.83 1soh n ILE 66 Cb 0.11 1.02 0.78 0.00 -0.71 0.00 0.00 39.64 40.84 1soh n ILE 66 CO 0.00 0.00 0.00 2.19 0.00 0.00 0.00 176.55 178.74 1soh h PHE 67 N 0.14 0.00 0.00 1.39 -0.00 0.21 1.02 116.94 119.70 1soh h PHE 67 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.88 1soh h PHE 67 Cb 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.11 1soh h PHE 67 CO 0.00 0.00 -1.69 2.41 -0.00 0.00 0.00 178.31 179.03 1soh n THR 68 N -4.07 0.34 0.04 0.88 -1.04 -1.26 -4.34 114.28 104.82 1soh n THR 68 Ca 0.32 -0.39 -0.12 0.00 -2.04 0.00 0.00 64.05 61.83 1soh n THR 68 Cb 1.53 -0.16 -0.01 0.00 -1.82 0.00 0.00 70.33 69.88 1soh n THR 68 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1soh h ASP 69 N 0.00 0.58 0.12 8.00 1.82 -0.60 -1.49 116.42 124.85 1soh h ASP 69 Ca -0.13 -0.40 -0.07 0.00 -0.39 0.00 0.00 57.03 56.04 1soh h ASP 69 Cb 1.06 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.89 1soh h ASP 69 CO 0.01 1.16 -0.24 -0.61 -1.61 0.00 0.00 179.24 177.94 1soh h GLN 70 N 0.32 0.22 0.05 0.28 5.75 0.62 -0.87 115.11 121.47 1soh h GLN 70 Ca -0.05 -0.07 -0.12 0.00 -0.15 0.00 0.00 58.65 58.26 1soh h GLN 70 Cb 1.38 -0.02 0.01 0.00 1.07 0.00 0.00 27.48 29.93 1soh h GLN 70 CO 0.14 0.46 -0.51 0.28 -2.65 0.00 0.00 178.83 176.55 1soh h VAL 71 N 0.20 1.53 0.00 2.39 2.07 -1.72 -3.04 116.25 117.69 1soh h VAL 71 Ca 0.03 -2.23 -0.02 0.00 0.82 0.00 0.00 66.70 65.30 1soh h VAL 71 Cb 0.55 2.94 -0.00 0.00 -1.52 0.00 0.00 31.29 33.26 1soh h VAL 71 CO 0.04 0.62 -0.10 -0.07 0.02 0.00 0.00 177.57 178.09 1soh h LEU 72 N -0.41 0.00 -0.24 2.57 3.38 -1.15 -1.21 115.31 118.26 1soh h LEU 72 Ca -0.08 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1soh h LEU 72 Cb 1.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1soh h LEU 72 CO 0.10 0.10 -0.34 0.28 0.09 0.00 0.00 178.44 178.66 1soh h SER 73 N 0.00 0.00 -0.28 -0.43 0.02 -1.18 -3.20 113.55 108.48 1soh h SER 73 Ca -0.00 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1soh h SER 73 Cb 0.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1soh h SER 73 CO 0.01 0.34 0.19 0.58 -1.14 0.00 0.00 176.83 176.81 1soh h VAL 74 N 0.00 0.94 -0.16 2.27 2.07 -1.09 0.52 116.25 120.80 1soh h VAL 74 Ca -0.00 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1soh h VAL 74 Cb 1.17 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1soh h VAL 74 CO 0.04 0.03 0.24 0.25 0.02 0.00 0.00 177.57 178.15 1soh h LEU 75 N 0.14 0.00 -6.07 2.57 5.85 -1.66 -3.39 115.31 112.75 1soh h LEU 75 Ca 0.12 0.00 0.26 0.00 0.84 0.00 0.00 57.88 59.10 1soh h LEU 75 Cb 0.32 0.00 -0.25 0.00 0.37 0.00 0.00 40.66 41.09 1soh h LEU 75 CO -0.02 0.00 0.43 -0.75 -0.34 0.00 0.00 178.44 177.76 1soh s LYS 76 N -4.48 0.06 0.00 1.25 2.20 0.16 -4.97 119.74 113.96 1soh s LYS 76 Ca -0.04 0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 1soh s LYS 76 Cb 0.14 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 1soh s LYS 76 CO 0.48 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.85 1soh n GLY 77 N 4.88 1.13 2.69 5.54 0.00 -1.20 -4.68 105.19 113.55 1soh n GLY 77 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.68 -2.67 0.00 1.61 2.13 -1.12 -4.97 120.64 114.95 1soh n GLU 78 Ca 0.00 0.22 0.13 0.00 0.66 0.00 0.00 57.16 58.17 1soh n GLU 78 Cb 0.00 -4.77 0.80 0.00 0.27 0.00 0.00 31.44 27.74 1soh n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81