#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 0.08 4.78 -0.00 -1.26 -4.52 117.46 116.54 1soh n PHE 14 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.34 1soh n PHE 14 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 39.48 39.35 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 0.19 -1.05 -2.13 8.10 -2.06 -3.23 115.31 115.13 1soh h LEU 15 Ca 0.00 -0.21 -0.08 0.00 0.11 0.00 0.00 57.88 57.70 1soh h LEU 15 Cb 0.00 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.15 1soh h LEU 15 CO 0.00 1.16 -0.40 0.74 -4.11 0.00 0.00 178.44 175.83 1soh h THR 16 N 0.03 1.04 0.19 0.15 2.02 -1.99 -2.71 112.91 111.63 1soh h THR 16 Ca -0.07 -1.50 -0.01 0.00 0.77 0.00 0.00 66.41 65.60 1soh h THR 16 Cb 1.86 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 70.14 1soh h THR 16 CO 0.16 0.39 -0.09 0.06 0.37 0.00 0.00 175.52 176.41 1soh h GLN 17 N 0.00 -0.24 -0.44 6.66 3.07 -1.92 -2.36 115.11 119.89 1soh h GLN 17 Ca -0.00 0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.73 1soh h GLN 17 Cb 0.84 0.06 -0.02 0.00 0.08 0.00 0.00 27.48 28.43 1soh h GLN 17 CO 0.05 -0.12 0.16 0.28 0.09 0.00 0.00 178.83 179.29 1soh h VAL 18 N -0.31 1.17 -0.24 1.86 2.07 -1.64 0.02 116.25 119.18 1soh h VAL 18 Ca -0.03 -0.56 0.07 0.00 0.82 0.00 0.00 66.70 67.01 1soh h VAL 18 Cb 0.24 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1soh h VAL 18 CO 0.04 0.21 0.27 0.50 0.02 0.00 0.00 177.57 178.61 1soh h LYS 19 N 0.62 0.00 0.00 1.57 3.11 -1.10 1.27 116.57 122.03 1soh h LYS 19 Ca 0.15 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.92 1soh h LYS 19 Cb 0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.37 1soh h LYS 19 CO -0.01 0.00 -0.31 0.93 -2.81 0.00 0.00 179.45 177.25 1soh h GLU 20 N 0.00 0.00 0.00 1.90 4.39 -0.60 -2.68 114.58 117.60 1soh h GLU 20 Ca 0.11 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.59 1soh h GLU 20 Cb 0.65 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.26 1soh h GLU 20 CO -0.00 0.31 -1.52 0.43 -1.16 0.00 0.00 179.01 177.06 1soh n SER 21 N -3.21 1.90 0.31 1.42 7.64 0.30 -2.38 113.62 119.60 1soh n SER 21 Ca 0.02 0.41 0.21 0.00 1.01 0.00 0.00 58.87 60.52 1soh n SER 21 Cb 0.63 -0.85 1.11 0.00 -1.01 0.00 0.00 64.21 64.08 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 -0.35 -3.43 8.10 0.98 0.54 115.31 120.15 1soh h LEU 22 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.65 1soh h LEU 22 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.43 1soh h LEU 22 CO -0.21 0.00 -0.46 -1.20 -4.11 0.00 0.00 178.44 172.46 1soh n SER 23 N -2.92 0.96 0.28 0.17 7.64 -1.01 -4.45 113.62 114.29 1soh n SER 23 Ca -0.03 -0.98 0.19 0.00 1.01 0.00 0.00 58.87 59.07 1soh n SER 23 Cb 0.06 0.78 0.99 0.00 -1.01 0.00 0.00 64.21 65.03 1soh n SER 23 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1soh h SER 24 N 0.63 0.00 0.03 6.43 0.87 -0.50 0.33 113.55 121.34 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 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1soh h SER 24 CO 0.00 0.00 -1.38 -1.22 -0.53 0.00 0.00 176.83 173.70 1soh n TYR 25 N -2.84 0.02 0.01 2.24 4.02 -1.25 -3.42 117.16 115.93 1soh n TYR 25 Ca -0.02 0.01 -0.02 0.00 -0.01 0.00 0.00 57.90 57.86 1soh n TYR 25 Cb 0.09 -0.22 -0.10 0.00 -0.02 0.00 0.00 39.34 39.09 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 -1.82 0.92 0.14 -0.72 -0.00 0.39 -3.14 117.44 113.21 1soh n TRP 26 Ca 0.01 0.31 0.09 0.00 -0.00 0.00 0.00 57.50 57.91 1soh n TRP 26 Cb 0.43 -1.09 0.06 0.00 -0.00 0.00 0.00 31.31 30.71 1soh n TRP 26 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 177.69 178.74 1soh h GLU 27 N 0.00 0.00 0.10 5.87 4.11 -0.65 -3.33 114.58 120.68 1soh h GLU 27 Ca -0.20 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.08 1soh h GLU 27 Cb 1.68 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.95 1soh h GLU 27 CO 0.05 0.11 -0.64 1.03 0.07 0.00 0.00 179.01 179.63 1soh h SER 28 N 0.00 0.39 -0.97 3.06 0.87 -1.66 -2.61 113.55 112.62 1soh h SER 28 Ca -0.02 -0.94 0.28 0.00 -1.23 0.00 0.00 61.79 59.89 1soh h SER 28 Cb 1.13 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.92 1soh h SER 28 CO 0.02 1.30 0.70 0.00 -0.53 0.00 0.00 176.83 178.31 1soh h ALA 29 N 0.10 2.92 0.00 6.23 0.00 -1.66 0.86 119.26 127.71 1soh h ALA 29 Ca -0.11 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.52 1soh h ALA 29 Cb 1.49 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 1soh h ALA 29 CO 0.12 -1.19 -1.35 -0.22 0.00 0.00 0.00 179.25 176.61 1soh h LYS 30 N 0.01 0.00 -0.10 0.00 3.64 -1.66 -3.07 116.57 115.39 1soh h LYS 30 Ca 0.46 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.77 1soh h LYS 30 Cb 1.85 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.66 1soh h LYS 30 CO -0.01 0.75 -0.25 1.15 -2.27 0.00 0.00 179.45 178.83 1soh h THR 31 N 0.00 1.22 -0.58 1.00 2.02 0.11 -2.17 112.91 114.51 1soh h THR 31 Ca -0.15 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.00 1soh h THR 31 Cb 1.89 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.72 1soh h THR 31 CO 0.11 0.31 0.00 0.00 0.37 0.00 0.00 175.52 176.31 1soh n ALA 32 N -2.48 2.40 -0.11 6.16 0.00 -0.30 -4.35 120.51 121.83 1soh n ALA 32 Ca -0.01 -1.13 -0.22 0.00 0.00 0.00 0.00 53.44 52.08 1soh n ALA 32 Cb 0.34 -0.93 -0.11 0.00 0.00 0.00 0.00 19.45 18.75 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 1.49 0.81 0.30 0.00 0.00 -0.82 -3.51 120.51 118.78 1soh n ALA 33 Ca 0.22 -0.54 0.19 0.00 0.00 0.00 0.00 53.44 53.30 1soh n ALA 33 Cb 0.59 -0.48 1.02 0.00 0.00 0.00 0.00 19.45 20.58 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 0.12 0.00 4.15 -1.74 0.14 115.11 116.78 1soh h GLN 34 Ca -0.37 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.05 1soh h GLN 34 Cb 1.30 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.99 1soh h GLN 34 CO -0.22 0.00 -0.06 -0.97 -1.93 0.00 0.00 178.83 175.65 1soh h ASN 35 N 0.00 -0.14 -0.61 -0.69 -1.24 -1.76 -3.26 115.58 107.88 1soh h ASN 35 Ca 0.01 0.00 0.06 0.00 0.71 0.00 0.00 56.30 57.09 1soh h ASN 35 Cb 0.13 0.04 -0.04 0.00 0.73 0.00 0.00 38.32 39.18 1soh h ASN 35 CO -0.00 0.12 0.40 0.17 -1.29 0.00 0.00 177.43 176.83 1soh h LEU 36 N -0.60 0.52 -2.47 0.34 8.10 -1.56 0.31 115.31 119.96 1soh h LEU 36 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.97 1soh h LEU 36 Cb 0.13 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 40.23 1soh h LEU 36 CO 0.03 0.34 0.06 1.88 -4.11 0.00 0.00 178.44 176.64 1soh h TYR 37 N 0.60 0.00 0.00 0.17 0.05 -0.84 0.05 116.97 117.00 1soh h TYR 37 Ca 0.26 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.94 1soh h TYR 37 Cb 0.27 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 1soh h TYR 37 CO -0.00 0.00 -0.51 0.93 -1.05 0.00 0.00 178.16 177.53 1soh h GLU 38 N 0.00 0.00 -0.20 4.88 4.39 -0.97 -3.10 114.58 119.59 1soh h GLU 38 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1soh h GLU 38 Cb 0.11 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 1soh h GLU 38 CO 0.00 0.51 -0.08 1.63 -1.16 0.00 0.00 179.01 179.91 1soh n LYS 39 N -3.82 2.04 0.00 2.33 5.02 -0.03 -4.46 118.16 119.25 1soh n LYS 39 Ca -0.01 -2.94 0.00 0.00 -2.02 0.00 0.00 58.31 53.34 1soh n LYS 39 Cb 0.54 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1soh n LYS 39 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1soh n THR 40 N -0.99 0.00 -2.21 -0.18 -2.24 -1.01 -4.93 114.28 102.71 1soh n THR 40 Ca 0.23 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 1soh n THR 40 Cb 0.85 -0.94 0.08 0.00 -2.10 0.00 0.00 70.33 68.23 1soh n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1soh n TYR 41 N -1.65 0.58 -2.51 4.78 9.36 -1.25 -5.07 117.16 121.40 1soh n TYR 41 Ca 0.00 -1.31 -0.03 0.00 3.32 0.00 0.00 57.90 59.88 1soh n TYR 41 Cb 0.00 -0.22 -0.02 0.00 -0.63 0.00 0.00 39.34 38.47 1soh n TYR 41 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1soh n LEU 42 N -0.35 -5.88 -0.29 2.98 4.32 -1.24 -4.88 117.00 111.67 1soh n LEU 42 Ca 0.15 2.37 0.14 0.00 -0.02 0.00 0.00 56.01 58.65 1soh n LEU 42 Cb 0.93 -3.06 0.56 0.00 -1.62 0.00 0.00 43.42 40.23 1soh n LEU 42 CO 0.04 -3.42 0.85 -0.81 -1.22 0.00 0.00 177.39 172.82 1soh n PRO 43 N 1.86 1.18 -1.06 3.23 -0.04 -1.22 -4.91 135.00 134.04 1soh n PRO 43 Ca -0.21 -0.58 -0.02 0.00 -0.04 0.00 0.00 63.50 62.65 1soh n PRO 43 Cb 0.33 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.29 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 -0.41 -0.03 0.09 0.55 0.00 -1.26 -4.84 120.51 114.61 1soh n ALA 44 Ca 0.17 0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.58 1soh n ALA 44 Cb 0.31 -0.94 0.05 0.00 0.00 0.00 0.00 19.45 18.87 1soh n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1soh h VAL 45 N 0.00 1.48 0.00 0.00 2.07 -1.95 0.92 116.25 118.77 1soh h VAL 45 Ca -0.04 -2.43 -0.02 0.00 0.82 0.00 0.00 66.70 65.03 1soh h VAL 45 Cb 0.60 2.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1soh h VAL 45 CO 0.06 0.71 -0.09 -0.78 0.02 0.00 0.00 177.57 177.49 1soh h ASP 46 N 0.09 0.00 0.00 0.57 3.58 -1.97 1.70 116.42 120.39 1soh h ASP 46 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1soh h ASP 46 Cb 1.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.39 1soh h ASP 46 CO 0.11 0.09 -1.66 -0.62 -2.88 0.00 0.00 179.24 174.28 1soh n GLU 47 N -3.83 0.59 -0.11 0.28 -0.58 -1.01 -4.24 120.64 111.75 1soh n GLU 47 Ca -0.02 -0.14 -0.25 0.00 -0.42 0.00 0.00 57.16 56.33 1soh n GLU 47 Cb 0.18 -1.37 -0.11 0.00 -0.57 0.00 0.00 31.44 29.57 1soh n GLU 47 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1soh n LYS 48 N -2.01 0.61 0.17 3.49 5.02 0.32 -2.87 118.16 122.88 1soh n LYS 48 Ca -0.02 0.37 0.13 0.00 -2.02 0.00 0.00 58.31 56.76 1soh n LYS 48 Cb 0.41 -1.61 0.60 0.00 -0.02 0.00 0.00 35.03 34.40 1soh n LYS 48 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1soh h LEU 49 N -0.78 0.00 0.00 -0.35 7.12 0.23 1.20 115.31 122.73 1soh h LEU 49 Ca -0.53 0.00 -0.25 0.00 0.13 0.00 0.00 57.88 57.23 1soh h LEU 49 Cb 1.58 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.66 1soh h LEU 49 CO -0.26 0.00 -2.10 -1.14 -0.13 0.00 0.00 178.44 174.82 1soh n ARG 50 N -2.36 1.12 -0.03 1.25 3.00 -1.24 -4.38 116.66 114.01 1soh n ARG 50 Ca 0.00 -0.04 0.04 0.00 -0.00 0.00 0.00 57.85 57.85 1soh n ARG 50 Cb 0.14 -1.43 -0.15 0.00 0.00 0.00 0.00 32.46 31.01 1soh n ARG 50 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1soh n ASP 51 N -2.53 0.09 -0.78 6.15 -0.08 -1.00 -4.18 116.55 114.21 1soh n ASP 51 Ca -0.23 0.04 0.04 0.00 -1.51 0.00 0.00 54.79 53.13 1soh n ASP 51 Cb 0.94 1.51 0.15 0.00 2.34 0.00 0.00 41.12 46.06 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 -2.47 2.21 -0.09 -2.67 7.94 0.41 -3.96 117.00 118.38 1soh n LEU 52 Ca -0.13 -1.11 -0.18 0.00 -1.11 0.00 0.00 56.01 53.48 1soh n LEU 52 Cb 0.77 -0.36 -0.07 0.00 0.53 0.00 0.00 43.42 44.30 1soh n LEU 52 CO 0.45 0.41 -1.09 0.00 -1.11 0.00 0.00 177.39 176.04 1soh n TYR 53 N 0.34 0.00 -3.31 1.96 9.36 -1.26 -4.99 117.16 119.27 1soh n TYR 53 Ca 0.11 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.17 1soh n TYR 53 Cb 0.42 -0.63 0.08 0.00 -0.63 0.00 0.00 39.34 38.58 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 -3.65 -4.11 -1.57 2.98 7.64 -1.25 -1.87 113.62 111.79 1soh n SER 54 Ca -0.34 -0.64 -0.19 0.00 1.01 0.00 0.00 58.87 58.71 1soh n SER 54 Cb 0.76 -5.05 -0.08 0.00 -1.01 0.00 0.00 64.21 58.82 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 -3.65 -1.42 -0.29 1.43 5.02 -1.26 -4.83 118.16 113.16 1soh n LYS 55 Ca -0.18 1.11 0.09 0.00 -2.02 0.00 0.00 58.31 57.31 1soh n LYS 55 Cb 0.64 -5.47 0.25 0.00 -0.02 0.00 0.00 35.03 30.43 1soh n LYS 55 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1soh h SER 56 N 0.00 0.37 0.00 4.39 0.02 -1.77 -3.29 113.55 113.27 1soh h SER 56 Ca -0.39 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.67 1soh h SER 56 Cb 1.24 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.84 1soh h SER 56 CO 0.57 0.09 -0.32 0.41 -1.14 0.00 0.00 176.83 176.44 1soh n THR 57 N -4.98 0.00 0.06 -2.27 -1.04 -1.26 -4.90 114.28 99.89 1soh n THR 57 Ca 0.18 -0.06 -0.21 0.00 -2.04 0.00 0.00 64.05 61.93 1soh n THR 57 Cb 0.52 0.32 -0.13 0.00 -1.82 0.00 0.00 70.33 69.23 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 0.06 -0.01 0.00 2.41 0.00 -1.94 -3.12 119.26 116.65 1soh h ALA 58 Ca -0.04 -0.71 -0.06 0.00 0.00 0.00 0.00 54.91 54.10 1soh h ALA 58 Cb 1.26 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1soh h ALA 58 CO -0.01 0.54 -0.31 0.00 0.00 0.00 0.00 179.25 179.47 1soh h ALA 59 N 0.25 1.18 -0.06 0.00 0.00 -1.91 0.10 119.26 118.83 1soh h ALA 59 Ca -0.15 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1soh h ALA 59 Cb 1.71 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1soh h ALA 59 CO 0.19 0.38 -0.39 0.52 0.00 0.00 0.00 179.25 179.95 1soh h MET 60 N 0.00 0.12 0.00 0.00 2.86 -1.87 -3.37 114.93 112.68 1soh h MET 60 Ca -0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1soh h MET 60 Cb 0.68 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1soh h MET 60 CO 0.04 0.50 0.00 -1.13 1.06 0.00 0.00 176.91 177.38 1soh n SER 61 N -4.06 0.00 0.00 1.22 3.41 -0.96 -4.93 113.62 108.31 1soh n SER 61 Ca -0.02 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1soh n SER 61 Cb 0.44 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1soh n SER 61 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1soh n THR 62 N -2.02 0.00 -0.60 6.66 -1.04 -0.02 -4.77 114.28 112.50 1soh n THR 62 Ca 0.00 0.00 0.48 0.00 -2.04 0.00 0.00 64.05 62.49 1soh n THR 62 Cb 0.00 -0.88 0.80 0.00 -1.82 0.00 0.00 70.33 68.42 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 -0.65 -1.42 0.05 -1.91 1.26 116.97 114.29 1soh h TYR 63 Ca 0.00 0.00 0.19 0.00 0.05 0.00 0.00 58.73 58.97 1soh h TYR 63 Cb 0.76 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.48 1soh h TYR 63 CO 0.48 0.00 0.63 1.15 -1.05 0.00 0.00 178.16 179.37 1soh h THR 64 N 0.00 0.35 0.00 -2.88 2.02 -1.96 1.45 112.91 111.89 1soh h THR 64 Ca 0.83 0.00 0.00 0.00 0.77 0.00 0.00 66.41 68.01 1soh h THR 64 Cb 3.37 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 70.30 1soh h THR 64 CO -0.01 0.00 -0.83 0.61 0.37 0.00 0.00 175.52 175.66 1soh n GLY 65 N -1.58 -1.31 0.00 2.16 0.00 0.43 -4.11 105.19 100.78 1soh n GLY 65 Ca 0.13 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.05 0.00 -0.58 -0.61 5.41 0.32 -4.32 119.36 117.53 1soh n ILE 66 Ca 0.03 -0.25 0.46 0.00 1.00 0.00 0.00 62.75 63.99 1soh n ILE 66 Cb 0.44 0.63 0.77 0.00 -0.71 0.00 0.00 39.64 40.77 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 0.00 0.13 0.00 1.39 0.04 0.13 1.10 116.94 119.74 1soh h PHE 67 Ca 0.00 0.01 -0.17 0.00 2.80 0.00 0.00 57.97 60.60 1soh h PHE 67 Cb 0.41 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 1soh h PHE 67 CO 0.00 -0.05 -1.95 2.41 -0.60 0.00 0.00 178.31 178.12 1soh n THR 68 N -4.17 0.64 -0.04 -1.55 -1.04 -1.26 -4.28 114.28 102.59 1soh n THR 68 Ca 0.40 -0.55 -0.12 0.00 -2.04 0.00 0.00 64.05 61.73 1soh n THR 68 Cb 1.75 -0.30 0.01 0.00 -1.82 0.00 0.00 70.33 69.96 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 0.80 0.11 8.00 3.58 0.25 0.53 116.42 129.69 1soh h ASP 69 Ca -0.25 -0.42 -0.05 0.00 0.42 0.00 0.00 57.03 56.72 1soh h ASP 69 Cb 1.49 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 1soh h ASP 69 CO 0.01 1.18 -0.18 -0.61 -2.88 0.00 0.00 179.24 176.77 1soh h GLN 70 N 0.56 0.14 0.06 0.28 4.15 0.64 -2.41 115.11 118.53 1soh h GLN 70 Ca 0.01 -0.03 -0.32 0.00 0.77 0.00 0.00 58.65 59.08 1soh h GLN 70 Cb 1.11 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.75 1soh h GLN 70 CO 0.11 0.32 -1.79 0.28 -1.93 0.00 0.00 178.83 175.82 1soh h VAL 71 N 0.13 0.81 -0.30 2.39 2.07 -1.70 -3.32 116.25 116.33 1soh h VAL 71 Ca 0.03 -2.59 0.02 0.00 0.82 0.00 0.00 66.70 64.98 1soh h VAL 71 Cb 0.40 2.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.65 1soh h VAL 71 CO 0.03 0.69 0.20 -0.07 0.02 0.00 0.00 177.57 178.43 1soh h LEU 72 N 0.04 0.27 -0.39 2.57 4.07 0.30 -0.56 115.31 121.60 1soh h LEU 72 Ca -0.33 -0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.52 1soh h LEU 72 Cb 2.02 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 43.68 1soh h LEU 72 CO 0.09 0.19 -0.53 0.28 -1.08 0.00 0.00 178.44 177.39 1soh h SER 73 N 0.32 0.00 -0.30 -0.43 0.02 -1.57 -3.15 113.55 108.44 1soh h SER 73 Ca 0.12 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.13 1soh h SER 73 Cb 0.09 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1soh h SER 73 CO -0.03 0.53 0.21 0.58 -1.14 0.00 0.00 176.83 176.98 1soh h VAL 74 N 0.00 0.92 -0.14 2.27 2.07 -1.00 0.64 116.25 121.00 1soh h VAL 74 Ca -0.01 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1soh h VAL 74 Cb 1.24 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1soh h VAL 74 CO 0.07 0.02 0.21 -0.07 0.02 0.00 0.00 177.57 177.82 1soh h LEU 75 N 0.13 0.00 -6.14 2.57 3.38 -1.56 -3.36 115.31 110.33 1soh h LEU 75 Ca 0.13 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.30 1soh h LEU 75 Cb 0.37 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.90 1soh h LEU 75 CO -0.02 0.00 0.10 -0.75 0.09 0.00 0.00 178.44 177.86 1soh s LYS 76 N -4.47 0.27 0.00 1.13 2.20 0.21 -4.95 119.74 114.13 1soh s LYS 76 Ca -0.04 0.54 0.00 0.00 -0.36 0.00 0.00 55.97 56.11 1soh s LYS 76 Cb 0.14 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.77 1soh s LYS 76 CO 0.48 -0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.64 1soh n GLY 77 N 5.32 0.88 2.66 5.54 0.00 -1.21 -4.65 105.19 113.74 1soh n GLY 77 Ca -0.07 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 -0.77 -2.67 0.00 1.61 4.07 -1.19 -4.94 120.64 116.76 1soh n GLU 78 Ca 0.00 0.24 0.13 0.00 -0.06 0.00 0.00 57.16 57.47 1soh n GLU 78 Cb 0.00 -4.79 0.37 0.00 -0.06 0.00 0.00 31.44 26.95 1soh n GLU 78 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46