#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1soh h PHE 14 N 0.00 0.00 0.00 -1.42 0.04 -2.06 -3.00 116.94 110.50 1soh h PHE 14 Ca 0.00 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.59 1soh h PHE 14 Cb 0.00 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 1soh h PHE 14 CO 0.00 0.41 -1.26 1.37 -0.60 0.00 0.00 178.31 178.23 1soh h LEU 15 N 0.00 0.00 -0.52 1.54 -0.00 -2.05 -3.33 115.31 110.95 1soh h LEU 15 Ca -0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.71 1soh h LEU 15 Cb 1.24 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.89 1soh h LEU 15 CO 0.05 0.67 -0.73 0.74 -0.00 0.00 0.00 178.44 179.18 1soh h THR 16 N 0.00 1.48 0.17 0.15 2.02 -1.98 -2.43 112.91 112.31 1soh h THR 16 Ca -0.14 -2.39 -0.01 0.00 0.77 0.00 0.00 66.41 64.64 1soh h THR 16 Cb 1.64 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 70.34 1soh h THR 16 CO 0.06 0.69 -0.08 0.06 0.37 0.00 0.00 175.52 176.62 1soh h GLN 17 N 0.07 -0.21 -0.45 6.66 3.07 -1.64 -2.66 115.11 119.94 1soh h GLN 17 Ca -0.02 0.01 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 1soh h GLN 17 Cb 1.29 0.05 -0.02 0.00 0.08 0.00 0.00 27.48 28.88 1soh h GLN 17 CO 0.10 -0.01 0.16 0.28 0.09 0.00 0.00 178.83 179.45 1soh h VAL 18 N -0.38 1.18 -0.22 1.86 2.07 -1.67 -0.21 116.25 118.88 1soh h VAL 18 Ca -0.02 -0.58 0.06 0.00 0.82 0.00 0.00 66.70 66.98 1soh h VAL 18 Cb 0.30 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1soh h VAL 18 CO 0.04 0.22 0.25 0.11 0.02 0.00 0.00 177.57 178.21 1soh h LYS 19 N 0.64 0.00 0.00 1.57 1.57 -1.11 1.31 116.57 120.55 1soh h LYS 19 Ca 0.15 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1soh h LYS 19 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1soh h LYS 19 CO -0.01 0.00 -0.12 0.93 -0.57 0.00 0.00 179.45 179.68 1soh h GLU 20 N 0.00 0.00 0.00 3.15 5.08 -0.71 -2.78 114.58 119.32 1soh h GLU 20 Ca 0.10 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.19 1soh h GLU 20 Cb 0.61 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1soh h GLU 20 CO -0.00 0.12 -1.85 0.43 -1.00 0.00 0.00 179.01 176.70 1soh n SER 21 N -3.13 1.94 0.33 1.42 7.64 0.30 -2.71 113.62 119.40 1soh n SER 21 Ca 0.03 0.36 0.21 0.00 1.01 0.00 0.00 58.87 60.48 1soh n SER 21 Cb 0.56 -0.81 1.12 0.00 -1.01 0.00 0.00 64.21 64.07 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 0.00 -3.43 8.10 0.11 0.15 115.31 119.24 1soh h LEU 22 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.57 1soh h LEU 22 Cb 1.34 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.56 1soh h LEU 22 CO -0.25 0.00 -1.84 -0.24 -4.11 0.00 0.00 178.44 171.99 1soh n SER 23 N -3.10 0.24 0.07 0.17 2.88 -1.05 -4.17 113.62 108.67 1soh n SER 23 Ca -0.03 -0.13 0.10 0.00 -1.33 0.00 0.00 58.87 57.48 1soh n SER 23 Cb 0.14 1.84 0.42 0.00 -0.75 0.00 0.00 64.21 65.86 1soh n SER 23 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1soh n SER 24 N -2.14 0.38 -0.00 -3.46 2.88 0.53 -1.26 113.62 110.54 1soh n SER 24 Ca -0.03 0.59 0.09 0.00 -1.33 0.00 0.00 58.87 58.19 1soh n SER 24 Cb 0.52 -0.67 -0.12 0.00 -0.75 0.00 0.00 64.21 63.19 1soh n SER 24 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1soh n TYR 25 N -1.91 0.00 -0.01 0.66 4.19 -1.15 -3.55 117.16 115.39 1soh n TYR 25 Ca 0.03 0.00 -0.05 0.00 3.31 0.00 0.00 57.90 61.18 1soh n TYR 25 Cb 0.21 -0.19 -0.12 0.00 0.49 0.00 0.00 39.34 39.73 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 -1.75 0.95 0.16 2.98 -0.00 -0.79 -3.06 117.44 115.93 1soh n TRP 26 Ca 0.00 0.33 0.11 0.00 -0.00 0.00 0.00 57.50 57.95 1soh n TRP 26 Cb 0.38 -1.14 0.08 0.00 -0.00 0.00 0.00 31.31 30.63 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 0.12 5.87 4.22 -1.36 -3.32 114.58 120.11 1soh h GLU 27 Ca -0.25 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.02 1soh h GLU 27 Cb 1.86 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.13 1soh h GLU 27 CO 0.06 0.03 -0.74 1.03 -2.18 0.00 0.00 179.01 177.22 1soh h SER 28 N 0.00 0.39 -0.68 1.04 0.87 -1.67 -2.42 113.55 111.08 1soh h SER 28 Ca -0.01 -0.95 0.20 0.00 -1.23 0.00 0.00 61.79 59.80 1soh h SER 28 Cb 1.04 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.84 1soh h SER 28 CO 0.00 1.35 0.55 0.00 -0.53 0.00 0.00 176.83 178.21 1soh h ALA 29 N 0.05 2.56 0.00 6.23 0.00 -1.65 0.67 119.26 127.12 1soh h ALA 29 Ca -0.14 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.52 1soh h ALA 29 Cb 1.55 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 1soh h ALA 29 CO 0.12 -0.90 -1.44 -0.22 0.00 0.00 0.00 179.25 176.80 1soh h LYS 30 N 0.00 0.00 -0.06 0.00 3.64 -1.65 -3.09 116.57 115.41 1soh h LYS 30 Ca 0.32 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.60 1soh h LYS 30 Cb 1.43 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 1soh h LYS 30 CO -0.00 0.48 -0.45 1.15 -2.27 0.00 0.00 179.45 178.36 1soh h THR 31 N 0.00 1.33 -0.60 1.00 2.02 0.76 -2.72 112.91 114.70 1soh h THR 31 Ca -0.19 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.40 1soh h THR 31 Cb 1.80 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.99 1soh h THR 31 CO 0.07 0.46 0.00 0.00 0.37 0.00 0.00 175.52 176.43 1soh n ALA 32 N -2.46 2.40 -0.11 6.16 0.00 -0.02 -4.29 120.51 122.19 1soh n ALA 32 Ca -0.02 -1.18 -0.21 0.00 0.00 0.00 0.00 53.44 52.04 1soh n ALA 32 Cb 0.49 -0.92 -0.09 0.00 0.00 0.00 0.00 19.45 18.93 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 1.61 0.85 0.32 0.00 0.00 -1.03 -3.71 120.51 118.55 1soh n ALA 33 Ca 0.23 -0.65 0.20 0.00 0.00 0.00 0.00 53.44 53.21 1soh n ALA 33 Cb 0.62 -0.27 1.11 0.00 0.00 0.00 0.00 19.45 20.90 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 0.26 0.00 4.20 -1.75 0.73 115.11 117.56 1soh h GLN 34 Ca -0.38 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.32 1soh h GLN 34 Cb 1.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1soh h GLN 34 CO -0.23 0.00 -0.13 -0.97 -0.67 0.00 0.00 178.83 176.84 1soh h ASN 35 N 0.00 -0.30 -0.79 1.46 -1.24 -1.75 -2.77 115.58 110.19 1soh h ASN 35 Ca -0.00 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.02 1soh h ASN 35 Cb 0.02 0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.11 1soh h ASN 35 CO 0.00 0.03 0.49 0.17 -1.29 0.00 0.00 177.43 176.83 1soh h LEU 36 N -0.84 0.94 -2.51 0.34 8.10 -1.59 -0.95 115.31 118.79 1soh h LEU 36 Ca -0.04 -0.06 0.00 0.00 0.11 0.00 0.00 57.88 57.90 1soh h LEU 36 Cb 0.27 -0.24 0.00 0.00 -0.44 0.00 0.00 40.66 40.25 1soh h LEU 36 CO 0.06 0.72 0.00 1.88 -4.11 0.00 0.00 178.44 176.99 1soh h TYR 37 N 1.08 0.00 -0.37 0.17 0.05 -0.98 -1.55 116.97 115.37 1soh h TYR 37 Ca 0.29 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.92 1soh h TYR 37 Cb -0.06 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1soh h TYR 37 CO -0.01 0.00 -0.34 1.49 -1.05 0.00 0.00 178.16 178.25 1soh h GLU 38 N 0.00 0.85 -0.71 4.88 4.22 -0.86 -2.82 114.58 120.14 1soh h GLU 38 Ca 0.00 -0.42 -0.31 0.00 0.08 0.00 0.00 59.36 58.71 1soh h GLU 38 Cb 0.08 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.15 1soh h GLU 38 CO 0.00 1.06 0.31 1.17 -2.18 0.00 0.00 179.01 179.37 1soh n LYS 39 N -4.06 2.57 0.00 1.92 4.81 -0.61 -4.21 118.16 118.58 1soh n LYS 39 Ca -0.01 -3.07 0.00 0.00 -0.87 0.00 0.00 58.31 54.36 1soh n LYS 39 Cb 0.51 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.49 1soh n LYS 39 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1soh n THR 40 N -0.84 0.00 -2.33 3.15 -1.04 -1.03 -4.99 114.28 107.20 1soh n THR 40 Ca 0.45 0.04 -0.01 0.00 -2.04 0.00 0.00 64.05 62.49 1soh n THR 40 Cb 1.38 -0.79 -0.01 0.00 -1.82 0.00 0.00 70.33 69.08 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 -1.51 -0.03 -3.25 -1.42 9.36 -1.22 -5.05 117.16 114.05 1soh n TYR 41 Ca 0.00 -0.67 -0.04 0.00 3.32 0.00 0.00 57.90 60.51 1soh n TYR 41 Cb 0.00 0.20 -0.04 0.00 -0.63 0.00 0.00 39.34 38.88 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 -0.46 -1.09 0.00 2.98 1.02 -1.08 -5.01 118.68 115.04 1soh s LEU 42 Ca 0.18 -0.14 0.19 0.00 0.02 0.00 0.00 54.13 54.38 1soh s LEU 42 Cb 0.23 1.45 1.11 0.00 0.02 0.00 0.00 46.19 49.00 1soh s LEU 42 CO -0.09 -0.33 1.71 -0.81 0.02 0.00 0.00 176.35 176.85 1soh n PRO 43 N 5.38 1.01 0.00 1.29 -0.04 -1.26 -3.31 135.00 138.06 1soh n PRO 43 Ca 0.02 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1soh n PRO 43 Cb 0.51 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 1soh n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1soh n ALA 44 N -0.78 1.16 0.28 0.55 0.00 -1.26 -4.79 120.51 115.67 1soh n ALA 44 Ca 0.14 -0.54 0.12 0.00 0.00 0.00 0.00 53.44 53.16 1soh n ALA 44 Cb 0.07 0.00 0.80 0.00 0.00 0.00 0.00 19.45 20.32 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 1.88 0.73 0.00 0.00 3.04 -1.87 0.96 116.25 120.98 1soh h VAL 45 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1soh h VAL 45 Cb 0.76 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 1soh h VAL 45 CO 0.00 0.00 -0.04 -0.78 -1.01 0.00 0.00 177.57 175.74 1soh h ASP 46 N 0.00 0.00 0.00 3.17 1.82 -1.84 -3.13 116.42 116.44 1soh h ASP 46 Ca 0.00 -0.01 -0.10 0.00 -0.39 0.00 0.00 57.03 56.52 1soh h ASP 46 Cb 0.01 0.00 -0.23 0.00 0.68 0.00 0.00 39.33 39.79 1soh h ASP 46 CO -0.00 0.01 -0.80 -1.84 -1.61 0.00 0.00 179.24 175.00 1soh n GLU 47 N -2.31 0.53 0.00 0.28 0.28 0.79 -4.96 120.64 115.25 1soh n GLU 47 Ca 0.05 -2.35 0.00 0.00 -0.16 0.00 0.00 57.16 54.70 1soh n GLU 47 Cb 0.44 -0.59 0.00 0.00 1.43 0.00 0.00 31.44 32.72 1soh n GLU 47 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1soh n LYS 48 N -0.11 0.00 0.00 3.44 4.76 0.30 -4.79 118.16 121.76 1soh n LYS 48 Ca 0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1soh n LYS 48 Cb 0.96 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.15 1soh n LYS 48 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1soh n LEU 49 N -1.51 0.00 0.00 -0.35 0.00 -0.99 -2.20 117.00 111.96 1soh n LEU 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1soh n LEU 49 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1soh n LEU 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.39 176.25 1soh n ARG 50 N 0.00 0.00 -1.65 1.96 0.63 -1.26 -4.90 116.66 111.43 1soh n ARG 50 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 1soh n ARG 50 Cb 0.00 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.91 1soh n ARG 50 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1soh n ASP 51 N 0.00 -1.98 -0.52 6.15 2.03 -1.21 -4.92 116.55 116.09 1soh n ASP 51 Ca 0.00 0.01 0.06 0.00 0.52 0.00 0.00 54.79 55.38 1soh n ASP 51 Cb 0.00 -0.74 0.19 0.00 -0.72 0.00 0.00 41.12 39.85 1soh n ASP 51 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1soh n LEU 52 N -0.15 1.53 -0.04 -2.67 7.99 -0.93 -3.66 117.00 119.06 1soh n LEU 52 Ca -0.01 -0.74 -0.13 0.00 -0.01 0.00 0.00 56.01 55.12 1soh n LEU 52 Cb 0.33 -0.17 -0.14 0.00 -0.11 0.00 0.00 43.42 43.33 1soh n LEU 52 CO 0.02 0.37 -0.82 -1.22 -1.51 0.00 0.00 177.39 174.23 1soh n TYR 53 N 0.31 0.73 0.87 -1.77 4.02 -1.26 -2.46 117.16 117.61 1soh n TYR 53 Ca 0.11 0.22 -0.00 0.00 -0.01 0.00 0.00 57.90 58.22 1soh n TYR 53 Cb 0.26 -1.12 0.02 0.00 -0.02 0.00 0.00 39.34 38.48 1soh n TYR 53 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1soh n SER 54 N -3.10 1.87 0.00 7.72 7.64 -1.24 -2.22 113.62 124.29 1soh n SER 54 Ca -0.27 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.54 1soh n SER 54 Cb 1.07 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1soh n SER 54 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1soh n LYS 55 N 0.16 2.77 -0.10 1.43 4.81 -1.26 -4.58 118.16 121.40 1soh n LYS 55 Ca 0.02 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.26 1soh n LYS 55 Cb 0.40 -0.23 -0.12 0.00 0.02 0.00 0.00 35.03 35.10 1soh n LYS 55 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1soh h SER 56 N 0.00 0.01 -0.23 3.14 0.87 -1.35 -3.38 113.55 112.62 1soh h SER 56 Ca 0.00 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 59.96 1soh h SER 56 Cb 0.00 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1soh h SER 56 CO 0.00 1.42 0.00 0.41 -0.53 0.00 0.00 176.83 178.13 1soh n THR 57 N -4.44 1.32 -0.08 2.23 -1.04 -0.94 -4.34 114.28 106.99 1soh n THR 57 Ca -0.29 -1.27 -0.20 0.00 -2.04 0.00 0.00 64.05 60.26 1soh n THR 57 Cb 0.66 0.30 -0.12 0.00 -1.82 0.00 0.00 70.33 69.34 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 1.38 0.19 0.00 2.41 0.00 -1.75 -3.15 119.26 118.34 1soh h ALA 58 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.89 1soh h ALA 58 Cb 0.84 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1soh h ALA 58 CO 0.04 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1soh n ALA 59 N -3.14 1.88 0.12 0.00 0.00 -1.26 -2.46 120.51 115.65 1soh n ALA 59 Ca -0.25 0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.26 1soh n ALA 59 Cb 0.67 -1.40 0.01 0.00 0.00 0.00 0.00 19.45 18.73 1soh n ALA 59 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1soh h MET 60 N 0.00 0.00 -0.82 0.00 -1.53 -1.76 -3.27 114.93 107.55 1soh h MET 60 Ca 0.00 0.00 -0.16 0.00 -3.44 0.00 0.00 59.70 56.10 1soh h MET 60 Cb 0.47 0.00 -0.10 0.00 -0.55 0.00 0.00 31.60 31.42 1soh h MET 60 CO 0.00 0.32 0.20 0.43 0.14 0.00 0.00 176.91 178.00 1soh n SER 61 N -3.05 4.12 -0.00 1.39 7.64 -1.03 -3.95 113.62 118.73 1soh n SER 61 Ca -0.01 -2.90 0.10 0.00 1.01 0.00 0.00 58.87 57.07 1soh n SER 61 Cb 0.72 -0.69 -0.14 0.00 -1.01 0.00 0.00 64.21 63.09 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 -0.03 0.00 -0.16 0.44 -1.04 -1.24 -4.32 114.28 107.93 1soh n THR 62 Ca 0.31 -0.24 0.29 0.00 -2.04 0.00 0.00 64.05 62.36 1soh n THR 62 Cb 1.13 0.51 0.65 0.00 -1.82 0.00 0.00 70.33 70.80 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 -0.77 -1.42 -1.99 -1.81 0.42 116.97 111.40 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 0.74 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.44 1soh h TYR 63 CO 0.00 0.00 0.73 1.15 -0.00 0.00 0.00 178.16 180.04 1soh h THR 64 N 0.00 0.30 -0.00 -2.88 2.02 -1.90 1.20 112.91 111.63 1soh h THR 64 Ca 0.43 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.61 1soh h THR 64 Cb 2.15 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1soh h THR 64 CO -0.00 0.00 -0.38 0.61 0.37 0.00 0.00 175.52 176.11 1soh n GLY 65 N -1.62 -0.09 0.04 2.16 0.00 0.15 -4.49 105.19 101.35 1soh n GLY 65 Ca 0.16 -0.33 0.06 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.74 0.00 -0.46 -0.61 5.41 0.16 -4.34 119.36 118.77 1soh n ILE 66 Ca 0.03 -0.25 0.42 0.00 1.00 0.00 0.00 62.75 63.95 1soh n ILE 66 Cb 0.21 1.02 0.78 0.00 -0.71 0.00 0.00 39.64 40.94 1soh n ILE 66 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1soh h PHE 67 N 0.21 0.01 0.00 1.39 0.04 0.94 0.92 116.94 120.45 1soh h PHE 67 Ca 0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 1soh h PHE 67 Cb 0.29 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 1soh h PHE 67 CO 0.00 -0.00 -1.71 2.41 -0.60 0.00 0.00 178.31 178.41 1soh n THR 68 N -4.10 0.36 0.04 -1.55 -1.04 -1.26 -4.31 114.28 102.41 1soh n THR 68 Ca 0.32 -0.40 -0.12 0.00 -2.04 0.00 0.00 64.05 61.82 1soh n THR 68 Cb 1.53 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 69.86 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 0.40 8.00 3.58 -0.62 0.12 116.42 128.49 1soh h ASP 69 Ca -0.14 -0.39 -0.09 0.00 0.42 0.00 0.00 57.03 56.83 1soh h ASP 69 Cb 1.10 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 1soh h ASP 69 CO 0.01 1.15 -0.41 -0.61 -2.88 0.00 0.00 179.24 176.50 1soh h GLN 70 N 0.32 0.01 0.15 0.28 -0.00 0.43 -2.30 115.11 114.00 1soh h GLN 70 Ca -0.04 -0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 58.29 1soh h GLN 70 Cb 1.36 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.84 1soh h GLN 70 CO 0.14 0.42 -1.61 0.28 0.00 0.00 0.00 178.83 178.05 1soh h VAL 71 N 0.01 0.96 0.00 2.39 2.07 -1.72 -3.28 116.25 116.67 1soh h VAL 71 Ca -0.00 -2.45 -0.00 0.00 0.82 0.00 0.00 66.70 65.07 1soh h VAL 71 Cb 0.73 2.73 -0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1soh h VAL 71 CO 0.05 0.79 -0.00 0.25 0.02 0.00 0.00 177.57 178.68 1soh h LEU 72 N -0.08 0.00 -0.27 2.57 7.12 -0.72 -0.25 115.31 123.68 1soh h LEU 72 Ca -0.33 0.00 -0.08 0.00 0.13 0.00 0.00 57.88 57.60 1soh h LEU 72 Cb 1.94 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 42.06 1soh h LEU 72 CO 0.12 0.00 -0.38 0.28 -0.13 0.00 0.00 178.44 178.33 1soh h SER 73 N 0.00 0.00 -0.24 1.25 0.02 -1.53 -3.19 113.55 109.86 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 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1soh h SER 73 CO 0.00 0.38 0.17 0.58 -1.14 0.00 0.00 176.83 176.82 1soh h VAL 74 N 0.00 0.94 -0.13 2.27 2.07 -1.10 0.36 116.25 120.67 1soh h VAL 74 Ca -0.00 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1soh h VAL 74 Cb 1.19 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1soh h VAL 74 CO 0.05 0.02 0.21 -0.07 0.02 0.00 0.00 177.57 177.80 1soh h LEU 75 N 0.12 0.00 -6.07 2.57 4.07 -1.63 -3.39 115.31 110.99 1soh h LEU 75 Ca 0.11 0.00 0.26 0.00 0.08 0.00 0.00 57.88 58.33 1soh h LEU 75 Cb 0.27 0.00 -0.24 0.00 1.08 0.00 0.00 40.66 41.77 1soh h LEU 75 CO -0.01 0.00 0.38 -1.59 -1.08 0.00 0.00 178.44 176.14 1soh s LYS 76 N -4.44 0.07 0.00 1.13 -2.85 0.10 -4.97 119.74 108.78 1soh s LYS 76 Ca -0.04 0.16 0.00 0.00 -1.00 0.00 0.00 55.97 55.09 1soh s LYS 76 Cb 0.14 0.09 0.00 0.00 -2.06 0.00 0.00 37.83 36.00 1soh s LYS 76 CO 0.47 -0.05 0.00 0.41 0.10 0.00 0.00 175.35 176.28 1soh n GLY 77 N 5.02 1.03 2.72 0.59 0.00 -1.20 -4.68 105.19 108.67 1soh n GLY 77 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.61 -2.66 0.00 1.61 2.13 -1.12 -4.96 120.64 115.02 1soh n GLU 78 Ca 0.00 0.22 0.16 0.00 0.66 0.00 0.00 57.16 58.20 1soh n GLU 78 Cb 0.00 -4.77 0.90 0.00 0.27 0.00 0.00 31.44 27.84 1soh n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81