#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 -4.17 117.46 116.87 1soh n PHE 14 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.42 1soh n PHE 14 Cb 0.00 -0.59 -0.08 0.00 -0.00 0.00 0.00 39.48 38.81 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 -0.60 -2.13 -0.00 -2.06 -3.29 115.31 107.24 1soh h LEU 15 Ca -0.34 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.42 1soh h LEU 15 Cb 1.58 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.22 1soh h LEU 15 CO -0.04 0.78 -0.59 0.74 -0.00 0.00 0.00 178.44 179.34 1soh h THR 16 N 0.00 1.23 0.13 0.15 2.02 -1.99 -2.70 112.91 111.75 1soh h THR 16 Ca -0.09 -2.16 -0.01 0.00 0.77 0.00 0.00 66.41 64.92 1soh h THR 16 Cb 1.68 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 70.32 1soh h THR 16 CO 0.09 0.58 -0.06 0.06 0.37 0.00 0.00 175.52 176.55 1soh h GLN 17 N 0.00 -0.17 -0.43 6.66 3.07 -1.72 -2.62 115.11 119.90 1soh h GLN 17 Ca -0.01 0.01 -0.04 0.00 0.09 0.00 0.00 58.65 58.71 1soh h GLN 17 Cb 1.18 0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.76 1soh h GLN 17 CO 0.08 0.01 0.11 0.28 0.09 0.00 0.00 178.83 179.40 1soh h VAL 18 N -0.33 1.19 -0.24 1.86 2.07 -1.66 -0.58 116.25 118.56 1soh h VAL 18 Ca -0.02 -0.65 0.07 0.00 0.82 0.00 0.00 66.70 66.92 1soh h VAL 18 Cb 0.26 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1soh h VAL 18 CO 0.03 0.24 0.28 0.50 0.02 0.00 0.00 177.57 178.64 1soh h LYS 19 N 0.62 0.00 0.00 1.57 1.63 -1.13 1.31 116.57 120.56 1soh h LYS 19 Ca 0.14 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.89 1soh h LYS 19 Cb 0.22 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1soh h LYS 19 CO -0.01 0.00 -0.31 0.93 -3.45 0.00 0.00 179.45 176.61 1soh h GLU 20 N 0.00 0.00 0.00 1.90 3.07 -0.79 -2.84 114.58 115.92 1soh h GLU 20 Ca 0.12 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.74 1soh h GLU 20 Cb 0.67 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.54 1soh h GLU 20 CO -0.00 0.27 -1.53 0.43 -1.40 0.00 0.00 179.01 176.77 1soh n SER 21 N -3.15 1.90 0.33 1.42 7.64 0.29 -2.65 113.62 119.40 1soh n SER 21 Ca 0.03 0.42 0.21 0.00 1.01 0.00 0.00 58.87 60.53 1soh n SER 21 Cb 0.64 -0.87 1.13 0.00 -1.01 0.00 0.00 64.21 64.11 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 0.21 115.31 119.30 1soh h LEU 22 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.63 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 -0.22 0.00 -1.65 -0.24 -4.11 0.00 0.00 178.44 172.22 1soh n SER 23 N -3.01 0.31 0.29 0.17 2.88 -1.07 -4.21 113.62 108.98 1soh n SER 23 Ca -0.03 -0.20 0.20 0.00 -1.33 0.00 0.00 58.87 57.50 1soh n SER 23 Cb 0.12 1.59 1.01 0.00 -0.75 0.00 0.00 64.21 66.18 1soh n SER 23 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1soh h SER 24 N 0.00 0.00 0.17 -3.46 4.64 -0.34 0.29 113.55 114.85 1soh h SER 24 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1soh h SER 24 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1soh h SER 24 CO 0.00 0.00 -1.33 -1.22 -0.87 0.00 0.00 176.83 173.41 1soh n TYR 25 N -2.89 0.11 0.02 4.77 4.01 -1.23 -3.32 117.16 118.63 1soh n TYR 25 Ca -0.02 0.03 -0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1soh n TYR 25 Cb 0.10 -0.33 -0.09 0.00 -0.31 0.00 0.00 39.34 38.71 1soh n TYR 25 CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 1soh n TRP 26 N -1.92 0.91 0.15 -0.72 -0.00 0.35 -3.18 117.44 113.03 1soh n TRP 26 Ca 0.01 0.30 0.11 0.00 -0.00 0.00 0.00 57.50 57.92 1soh n TRP 26 Cb 0.45 -1.07 0.07 0.00 -0.00 0.00 0.00 31.31 30.76 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 4.81 -0.72 -3.33 114.58 121.33 1soh h GLU 27 Ca -0.17 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.90 1soh h GLU 27 Cb 1.59 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.99 1soh h GLU 27 CO 0.04 0.03 -0.67 1.03 -0.73 0.00 0.00 179.01 178.71 1soh h SER 28 N 0.00 0.38 -0.85 1.04 0.87 -1.66 -2.35 113.55 110.98 1soh h SER 28 Ca -0.01 -0.96 0.25 0.00 -1.23 0.00 0.00 61.79 59.84 1soh h SER 28 Cb 1.04 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.84 1soh h SER 28 CO 0.00 1.32 0.62 0.00 -0.53 0.00 0.00 176.83 178.25 1soh h ALA 29 N 0.06 2.79 0.00 6.23 0.00 -1.67 0.69 119.26 127.38 1soh h ALA 29 Ca -0.12 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.54 1soh h ALA 29 Cb 1.53 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 1soh h ALA 29 CO 0.12 -1.06 -1.40 0.87 0.00 0.00 0.00 179.25 177.79 1soh h LYS 30 N 0.00 0.00 -0.00 0.00 1.79 -1.66 -3.21 116.57 113.49 1soh h LYS 30 Ca 0.40 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.77 1soh h LYS 30 Cb 1.64 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.28 1soh h LYS 30 CO -0.00 0.51 -0.47 1.15 -1.08 0.00 0.00 179.45 179.55 1soh h THR 31 N 0.00 1.34 -0.43 -0.16 2.02 0.86 -2.60 112.91 113.93 1soh h THR 31 Ca -0.18 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.38 1soh h THR 31 Cb 1.79 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 70.07 1soh h THR 31 CO 0.08 0.46 0.00 0.00 0.37 0.00 0.00 175.52 176.43 1soh n ALA 32 N -2.45 2.43 -0.11 6.16 0.00 0.07 -4.16 120.51 122.45 1soh n ALA 32 Ca -0.02 -0.93 -0.22 0.00 0.00 0.00 0.00 53.44 52.28 1soh n ALA 32 Cb 0.49 -0.95 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 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 1.17 0.91 0.33 0.00 0.00 -0.99 -3.74 120.51 118.19 1soh n ALA 33 Ca 0.19 -0.73 0.22 0.00 0.00 0.00 0.00 53.44 53.12 1soh n ALA 33 Cb 0.51 -0.21 1.17 0.00 0.00 0.00 0.00 19.45 20.92 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 0.20 0.00 5.75 -1.73 0.40 115.11 118.73 1soh h GLN 34 Ca -0.42 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.07 1soh h GLN 34 Cb 1.32 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.87 1soh h GLN 34 CO -0.26 0.00 -0.10 -0.97 -2.65 0.00 0.00 178.83 174.86 1soh h ASN 35 N 0.00 -0.23 -0.86 -0.69 -1.24 -1.73 -2.63 115.58 108.20 1soh h ASN 35 Ca -0.00 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 1soh h ASN 35 Cb 0.04 0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.11 1soh h ASN 35 CO 0.00 0.13 0.48 0.17 -1.29 0.00 0.00 177.43 176.92 1soh h LEU 36 N -0.86 1.08 -0.30 0.34 8.10 -1.60 -0.96 115.31 121.11 1soh h LEU 36 Ca -0.03 -0.09 0.00 0.00 0.11 0.00 0.00 57.88 57.87 1soh h LEU 36 Cb 0.20 -0.27 0.00 0.00 -0.44 0.00 0.00 40.66 40.15 1soh h LEU 36 CO 0.04 0.86 0.00 -1.22 -4.11 0.00 0.00 178.44 174.02 1soh n TYR 37 N -4.34 0.36 0.05 0.17 4.02 0.11 -2.26 117.16 115.28 1soh n TYR 37 Ca 0.09 0.14 -0.04 0.00 -0.01 0.00 0.00 57.90 58.08 1soh n TYR 37 Cb 0.10 -0.73 -0.08 0.00 -0.02 0.00 0.00 39.34 38.61 1soh n TYR 37 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1soh h GLU 38 N 0.00 0.00 -0.55 -0.72 5.08 -0.78 -0.03 114.58 117.58 1soh h GLU 38 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1soh h GLU 38 Cb 0.31 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.44 1soh h GLU 38 CO 0.00 0.63 0.16 0.36 -1.00 0.00 0.00 179.01 179.16 1soh n LYS 39 N -3.16 2.75 0.00 2.33 2.85 -0.96 -4.31 118.16 117.66 1soh n LYS 39 Ca -0.05 -3.06 0.00 0.00 -1.05 0.00 0.00 58.31 54.15 1soh n LYS 39 Cb 0.90 -2.01 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 1soh n LYS 39 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1soh n THR 40 N -0.68 0.00 -1.04 0.58 -2.24 -1.14 -4.91 114.28 104.85 1soh n THR 40 Ca 0.37 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.92 1soh n THR 40 Cb 1.21 -0.04 0.14 0.00 -2.10 0.00 0.00 70.33 69.54 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 -1.79 2.77 -0.07 4.78 9.36 -0.02 -4.48 117.16 127.70 1soh n TYR 41 Ca 0.00 -1.94 -0.06 0.00 3.32 0.00 0.00 57.90 59.22 1soh n TYR 41 Cb 0.00 -0.97 -0.03 0.00 -0.63 0.00 0.00 39.34 37.70 1soh n TYR 41 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 1soh h LEU 42 N 1.23 0.00 -4.96 2.98 7.12 -1.75 -3.37 115.31 116.56 1soh h LEU 42 Ca 0.56 -0.15 -0.58 0.00 0.13 0.00 0.00 57.88 57.84 1soh h LEU 42 Cb 2.29 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 42.34 1soh h LEU 42 CO 1.08 0.79 1.98 -0.81 -0.13 0.00 0.00 178.44 181.35 1soh n PRO 43 N -4.64 3.47 0.00 5.25 -0.04 -1.26 -3.71 135.00 134.06 1soh n PRO 43 Ca -0.08 -2.45 0.00 0.00 -0.04 0.00 0.00 63.50 60.93 1soh n PRO 43 Cb 0.25 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 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 2.25 0.00 -0.51 0.55 0.00 -1.26 -5.01 120.51 116.53 1soh n ALA 44 Ca 0.61 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.94 1soh n ALA 44 Cb 0.42 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.90 1soh n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1soh n VAL 45 N 0.00 2.35 -2.34 0.00 0.31 -1.24 -4.60 118.33 112.81 1soh n VAL 45 Ca 0.00 -1.16 -0.10 0.00 -0.01 0.00 0.00 64.34 63.08 1soh n VAL 45 Cb 0.00 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 1soh n VAL 45 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1soh n ASP 46 N 0.46 -3.40 0.00 4.52 -0.08 -1.26 0.14 116.55 116.94 1soh n ASP 46 Ca 0.22 -0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 1soh n ASP 46 Cb 0.65 -2.53 0.00 0.00 2.34 0.00 0.00 41.12 41.58 1soh n ASP 46 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1soh n GLU 47 N -2.04 0.00 -2.39 -0.67 2.13 -1.26 -4.24 120.64 112.16 1soh n GLU 47 Ca -0.09 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1soh n GLU 47 Cb 0.57 -1.35 0.00 0.00 0.27 0.00 0.00 31.44 30.93 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 -1.51 0.00 -0.07 5.31 4.81 -1.07 -4.91 118.16 120.72 1soh n LYS 48 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1soh n LYS 48 Cb 0.11 -2.46 -0.04 0.00 0.02 0.00 0.00 35.03 32.66 1soh n LYS 48 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1soh h LEU 49 N 0.00 0.32 0.04 3.14 5.85 0.11 -0.29 115.31 124.48 1soh h LEU 49 Ca 0.00 -0.22 -0.35 0.00 0.84 0.00 0.00 57.88 58.14 1soh h LEU 49 Cb 0.98 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 1soh h LEU 49 CO 0.00 0.46 -2.12 0.54 -0.34 0.00 0.00 178.44 176.98 1soh n ARG 50 N -4.76 0.69 -0.26 1.25 3.00 -1.25 -3.90 116.66 111.42 1soh n ARG 50 Ca -0.04 0.19 -0.07 0.00 -0.01 0.00 0.00 57.85 57.92 1soh n ARG 50 Cb 0.17 -1.65 0.05 0.00 0.00 0.00 0.00 32.46 31.03 1soh n ARG 50 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1soh h ASP 51 N 0.02 1.06 -0.14 0.55 3.32 -1.87 -1.64 116.42 117.72 1soh h ASP 51 Ca -0.45 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.38 1soh h ASP 51 Cb 2.04 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 41.31 1soh h ASP 51 CO 0.03 1.00 0.00 -0.11 -1.72 0.00 0.00 179.24 178.44 1soh n LEU 52 N -4.26 0.94 -0.10 1.55 0.00 -0.12 -3.42 117.00 111.60 1soh n LEU 52 Ca 0.05 -0.47 -0.12 0.00 0.00 0.00 0.00 56.01 55.48 1soh n LEU 52 Cb 0.24 -0.16 -0.12 0.00 0.00 0.00 0.00 43.42 43.38 1soh n LEU 52 CO 0.42 0.21 -1.13 -1.22 0.00 0.00 0.00 177.39 175.67 1soh n TYR 53 N -0.04 0.00 -3.51 1.96 4.01 -0.63 -5.02 117.16 113.92 1soh n TYR 53 Ca 0.05 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.60 1soh n TYR 53 Cb 0.17 -0.85 0.08 0.00 -0.31 0.00 0.00 39.34 38.42 1soh n TYR 53 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1soh n SER 54 N -2.86 -2.70 -1.58 7.72 7.64 -1.10 -1.16 113.62 119.58 1soh n SER 54 Ca -0.33 -0.64 -0.18 0.00 1.01 0.00 0.00 58.87 58.73 1soh n SER 54 Cb 1.00 -4.93 -0.07 0.00 -1.01 0.00 0.00 64.21 59.20 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 -4.31 -1.42 0.26 1.43 4.01 -1.26 -4.85 118.16 112.02 1soh n LYS 55 Ca -0.23 1.05 -0.16 0.00 -0.51 0.00 0.00 58.31 58.45 1soh n LYS 55 Cb 0.65 -5.40 -0.08 0.00 -0.51 0.00 0.00 35.03 29.69 1soh n LYS 55 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1soh h SER 56 N 0.00 -0.97 0.00 4.39 0.87 -1.49 -3.37 113.55 112.98 1soh h SER 56 Ca -0.37 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1soh h SER 56 Cb 1.18 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 63.45 1soh h SER 56 CO 0.54 -0.53 -0.30 1.07 -0.53 0.00 0.00 176.83 177.07 1soh n THR 57 N -5.48 0.29 -0.06 2.23 5.66 -1.26 -4.81 114.28 110.85 1soh n THR 57 Ca -0.11 -0.34 -0.14 0.00 -3.05 0.00 0.00 64.05 60.41 1soh n THR 57 Cb 0.38 0.51 -0.07 0.00 -1.55 0.00 0.00 70.33 69.60 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 0.28 0.00 1.79 0.00 -1.87 -2.19 119.26 117.27 1soh h ALA 58 Ca 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1soh h ALA 58 Cb 1.22 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1soh h ALA 58 CO 0.00 0.35 -0.15 0.00 0.00 0.00 0.00 179.25 179.45 1soh h ALA 59 N 0.58 0.99 0.00 0.00 0.00 -1.88 0.16 119.26 119.11 1soh h ALA 59 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1soh h ALA 59 Cb 0.95 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1soh h ALA 59 CO 0.08 0.19 -0.13 0.52 0.00 0.00 0.00 179.25 179.91 1soh h MET 60 N 0.00 0.00 0.00 0.00 2.86 -1.83 -3.40 114.93 112.56 1soh h MET 60 Ca -0.00 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.43 1soh h MET 60 Cb 0.75 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.27 1soh h MET 60 CO 0.02 0.00 -0.38 0.43 1.06 0.00 0.00 176.91 178.04 1soh n SER 61 N -2.55 -2.37 0.07 1.22 7.64 -0.84 -4.97 113.62 111.81 1soh n SER 61 Ca 0.04 -3.20 0.11 0.00 1.01 0.00 0.00 58.87 56.84 1soh n SER 61 Cb 0.47 1.72 -0.03 0.00 -1.01 0.00 0.00 64.21 65.36 1soh n SER 61 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1soh n THR 62 N 0.99 0.44 -0.20 0.44 -2.24 0.52 -4.10 114.28 110.12 1soh n THR 62 Ca 0.06 -0.51 0.31 0.00 -2.27 0.00 0.00 64.05 61.64 1soh n THR 62 Cb 0.68 -0.21 0.69 0.00 -2.10 0.00 0.00 70.33 69.39 1soh n THR 62 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1soh h TYR 63 N 0.00 0.00 -0.68 4.78 -1.99 -1.93 0.50 116.97 117.64 1soh h TYR 63 Ca 0.00 0.00 0.20 0.00 2.00 0.00 0.00 58.73 60.93 1soh h TYR 63 Cb 0.97 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.67 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 0.32 0.00 -2.88 2.02 -1.96 1.42 112.91 111.82 1soh h THR 64 Ca 0.46 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.64 1soh h THR 64 Cb 2.14 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 69.03 1soh h THR 64 CO -0.00 0.00 -0.04 1.23 0.37 0.00 0.00 175.52 177.08 1soh h GLY 65 N 0.00 0.00 0.00 2.16 0.00 -0.31 -3.31 103.07 101.61 1soh h GLY 65 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1soh h GLY 65 CO -0.00 0.00 -0.79 1.39 0.00 0.00 0.00 176.54 177.14 1soh n ILE 66 N -3.11 0.00 -0.54 2.60 2.08 0.39 -4.31 119.36 116.48 1soh n ILE 66 Ca 0.04 -0.26 0.44 0.00 0.56 0.00 0.00 62.75 63.53 1soh n ILE 66 Cb 0.54 0.72 0.76 0.00 -0.75 0.00 0.00 39.64 40.91 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 0.14 0.00 1.39 3.57 0.12 0.89 116.94 123.05 1soh h PHE 67 Ca 0.00 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1soh h PHE 67 Cb 0.27 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1soh h PHE 67 CO 0.00 -0.05 -1.60 2.41 -2.23 0.00 0.00 178.31 176.84 1soh n THR 68 N -4.19 0.18 0.02 4.41 -1.04 -1.26 -4.34 114.28 108.06 1soh n THR 68 Ca 0.37 -0.32 -0.14 0.00 -2.04 0.00 0.00 64.05 61.92 1soh n THR 68 Cb 1.66 0.01 -0.02 0.00 -1.82 0.00 0.00 70.33 70.15 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 0.70 0.18 8.00 3.58 -0.32 0.71 116.42 129.27 1soh h ASP 69 Ca -0.07 -0.47 -0.09 0.00 0.42 0.00 0.00 57.03 56.81 1soh h ASP 69 Cb 0.82 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 1soh h ASP 69 CO 0.00 1.24 -0.35 -0.61 -2.88 0.00 0.00 179.24 176.64 1soh h GLN 70 N 0.40 0.25 0.10 0.28 4.15 0.30 -2.55 115.11 118.03 1soh h GLN 70 Ca -0.05 -0.10 -0.34 0.00 0.77 0.00 0.00 58.65 58.93 1soh h GLN 70 Cb 1.38 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.03 1soh h GLN 70 CO 0.15 0.57 -1.90 0.28 -1.93 0.00 0.00 178.83 176.00 1soh h VAL 71 N 0.21 0.71 -0.02 2.39 2.07 -1.72 -3.33 116.25 116.56 1soh h VAL 71 Ca 0.03 -2.45 0.01 0.00 0.82 0.00 0.00 66.70 65.10 1soh h VAL 71 Cb 0.72 2.51 -0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1soh h VAL 71 CO 0.05 0.80 0.02 0.25 0.02 0.00 0.00 177.57 178.71 1soh h LEU 72 N 0.06 0.00 -0.16 2.57 6.46 0.46 -0.37 115.31 124.33 1soh h LEU 72 Ca -0.38 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.27 1soh h LEU 72 Cb 2.03 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.95 1soh h LEU 72 CO 0.09 0.00 -0.50 0.28 -0.62 0.00 0.00 178.44 177.69 1soh h SER 73 N 0.00 0.00 -0.32 1.25 0.02 -1.59 -3.21 113.55 109.69 1soh h SER 73 Ca 0.01 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1soh h SER 73 Cb 0.04 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1soh h SER 73 CO -0.00 0.50 0.22 0.58 -1.14 0.00 0.00 176.83 176.99 1soh h VAL 74 N 0.00 0.93 -0.09 2.27 2.07 -1.16 0.69 116.25 120.96 1soh h VAL 74 Ca -0.01 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1soh h VAL 74 Cb 1.32 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1soh h VAL 74 CO 0.07 0.03 0.15 -0.07 0.02 0.00 0.00 177.57 177.77 1soh h LEU 75 N 0.17 0.00 -6.12 2.57 4.07 -1.61 -3.38 115.31 111.01 1soh h LEU 75 Ca 0.14 0.00 0.23 0.00 0.08 0.00 0.00 57.88 58.33 1soh h LEU 75 Cb 0.35 0.00 -0.23 0.00 1.08 0.00 0.00 40.66 41.87 1soh h LEU 75 CO -0.02 0.00 0.22 -0.75 -1.08 0.00 0.00 178.44 176.81 1soh s LYS 76 N -4.42 0.18 0.00 1.13 2.20 0.22 -4.96 119.74 114.10 1soh s LYS 76 Ca -0.05 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 1soh s LYS 76 Cb 0.14 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.67 1soh s LYS 76 CO 0.47 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.72 1soh n GLY 77 N 5.23 0.92 2.70 5.54 0.00 -1.19 -4.66 105.19 113.72 1soh n GLY 77 Ca -0.07 0.00 -0.09 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 -0.71 -2.66 0.00 1.61 2.13 -1.15 -4.95 120.64 114.91 1soh n GLU 78 Ca 0.00 0.23 0.09 0.00 0.66 0.00 0.00 57.16 58.14 1soh n GLU 78 Cb 0.00 -4.79 0.07 0.00 0.27 0.00 0.00 31.44 27.00 1soh n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81