#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hbk h MET 1 N 0.00 1.00 -0.50 -0.41 0.00 -1.99 -2.98 114.93 110.05 1hbk h MET 1 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 59.70 59.73 1hbk h MET 1 Cb 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 31.60 31.30 1hbk h MET 1 CO 0.00 0.66 0.09 0.00 0.00 0.00 0.00 176.91 177.67 1hbk h ALA 2 N 1.51 0.56 -0.03 6.32 0.00 -1.96 0.49 119.26 126.15 1hbk h ALA 2 Ca 0.44 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 55.28 1hbk h ALA 2 Cb 0.32 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1hbk h ALA 2 CO -0.19 -0.31 -0.75 1.96 0.00 0.00 0.00 179.25 179.96 1hbk h GLN 3 N 0.23 0.20 -0.19 0.00 7.50 -1.97 -1.36 115.11 119.52 1hbk h GLN 3 Ca 0.25 -0.18 -0.03 0.00 0.50 0.00 0.00 58.65 59.19 1hbk h GLN 3 Cb 0.34 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.90 1hbk h GLN 3 CO -0.33 0.86 0.02 0.28 -1.50 0.00 0.00 178.83 178.16 1hbk h VAL 4 N 0.13 1.24 -0.43 -0.54 2.07 -1.28 -2.49 116.25 114.94 1hbk h VAL 4 Ca -0.03 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.73 1hbk h VAL 4 Cb 1.32 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 1hbk h VAL 4 CO 0.11 0.24 0.25 0.15 0.02 0.00 0.00 177.57 178.35 1hbk h PHE 5 N 0.11 0.47 -0.78 1.57 3.57 0.07 -1.59 116.94 120.35 1hbk h PHE 5 Ca 0.06 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.64 1hbk h PHE 5 Cb 0.35 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.88 1hbk h PHE 5 CO 0.03 0.26 0.46 1.49 -2.23 0.00 0.00 178.31 178.33 1hbk h GLU 6 N 0.50 0.82 -0.43 1.11 4.81 -1.13 -0.59 114.58 119.67 1hbk h GLU 6 Ca 0.18 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 1hbk h GLU 6 Cb 0.03 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1hbk h GLU 6 CO -0.09 0.54 -0.08 0.93 -0.73 0.00 0.00 179.01 179.58 1hbk h GLU 7 N 0.84 0.76 -0.47 1.92 5.08 -0.97 -1.86 114.58 119.88 1hbk h GLU 7 Ca 0.35 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1hbk h GLU 7 Cb 0.20 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1hbk h GLU 7 CO -0.18 0.82 0.04 0.00 -1.00 0.00 0.00 179.01 178.69 1hbk h VAL 9 N 0.67 1.05 -0.62 0.00 2.07 -1.04 -0.25 116.25 118.11 1hbk h VAL 9 Ca 0.14 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1hbk h VAL 9 Cb 0.44 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1hbk h VAL 9 CO 0.02 0.04 0.38 0.28 0.02 0.00 0.00 177.57 178.31 1hbk h SER 10 N 0.22 0.61 -0.88 0.57 0.02 -1.10 0.43 113.55 113.41 1hbk h SER 10 Ca 0.06 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1hbk h SER 10 Cb -0.02 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 1hbk h SER 10 CO -0.01 0.42 0.56 0.15 -1.14 0.00 0.00 176.83 176.80 1hbk h PHE 11 N 0.74 1.13 0.07 3.45 3.57 -0.61 -0.43 116.94 124.86 1hbk h PHE 11 Ca 0.25 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 1hbk h PHE 11 Cb 0.04 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.41 1hbk h PHE 11 CO -0.06 0.73 -0.03 0.82 -2.23 0.00 0.00 178.31 177.54 1hbk h ILE 12 N 1.20 1.19 -0.89 1.41 1.08 -0.19 -2.90 117.51 118.40 1hbk h ILE 12 Ca 0.32 -0.98 0.24 0.00 -0.39 0.00 0.00 64.86 64.05 1hbk h ILE 12 Cb -0.10 1.82 -0.04 0.00 -3.07 0.00 0.00 36.82 35.43 1hbk h ILE 12 CO -0.06 0.24 0.63 0.78 -0.69 0.00 0.00 178.15 179.04 1hbk h ASN 13 N -0.55 0.10 0.48 1.72 2.35 0.11 -1.34 115.58 118.44 1hbk h ASN 13 Ca -0.01 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1hbk h ASN 13 Cb 0.47 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1hbk h ASN 13 CO 0.02 0.04 -0.38 0.61 -1.65 0.00 0.00 177.43 176.06 1hbk n GLY 14 N -1.66 -1.11 3.50 2.83 0.00 -0.20 -4.97 105.19 103.58 1hbk n GLY 14 Ca 0.19 -0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 1hbk n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hbk n LEU 15 N -1.28 0.46 -4.66 0.99 4.77 -0.51 -4.79 117.00 111.98 1hbk n LEU 15 Ca 0.08 1.07 -0.43 0.00 -0.03 0.00 0.00 56.01 56.69 1hbk n LEU 15 Cb 0.33 -1.15 -0.01 0.00 -2.33 0.00 0.00 43.42 40.26 1hbk n LEU 15 CO 0.32 -2.30 0.79 -2.65 -1.33 0.00 0.00 177.39 172.22 1hbk n PRO 16 N 0.73 1.85 0.00 3.23 -0.02 -1.26 -4.70 135.00 134.83 1hbk n PRO 16 Ca 0.12 0.65 0.01 0.00 -2.02 0.00 0.00 63.50 62.26 1hbk n PRO 16 Cb 0.33 -2.16 0.06 0.00 -0.02 0.00 0.00 33.50 31.71 1hbk n PRO 16 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1hbk n ARG 17 N 0.70 0.06 -0.03 -0.52 5.12 -1.26 -2.35 116.66 118.37 1hbk n ARG 17 Ca 0.07 0.02 -0.18 0.00 -1.93 0.00 0.00 57.85 55.82 1hbk n ARG 17 Cb 0.34 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 30.01 1hbk n ARG 17 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1hbk h THR 18 N 0.00 1.42 -2.58 0.55 1.03 -2.00 -3.46 112.91 107.87 1hbk h THR 18 Ca 0.00 -2.38 -0.54 0.00 -0.01 0.00 0.00 66.41 63.48 1hbk h THR 18 Cb 0.00 3.01 0.06 0.00 -1.07 0.00 0.00 68.15 70.15 1hbk h THR 18 CO 0.00 0.60 0.94 -0.38 -0.01 0.00 0.00 175.52 176.67 1hbk n ILE 19 N -4.33 0.07 -4.60 0.00 -0.00 -0.99 -4.99 119.36 104.52 1hbk n ILE 19 Ca -0.18 -0.02 -0.27 0.00 -0.00 0.00 0.00 62.75 62.29 1hbk n ILE 19 Cb 0.68 -1.86 -0.17 0.00 -0.00 0.00 0.00 39.64 38.30 1hbk n ILE 19 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1hbk s ASN 20 N 1.05 2.14 0.08 4.38 6.03 -1.26 -4.95 114.94 122.41 1hbk s ASN 20 Ca 0.75 -0.37 0.01 0.00 -1.03 0.00 0.00 52.86 52.23 1hbk s ASN 20 Cb -0.55 -0.97 -0.04 0.00 -3.03 0.00 0.00 41.25 36.66 1hbk s ASN 20 CO 0.35 0.04 0.18 -0.76 -2.03 0.00 0.00 177.10 174.87 1hbk s LEU 21 N 0.76 4.17 0.62 3.54 1.02 -1.26 -5.08 118.68 122.44 1hbk s LEU 21 Ca -0.12 0.15 -0.18 0.00 0.02 0.00 0.00 54.13 54.00 1hbk s LEU 21 Cb -0.16 -2.79 -0.02 0.00 0.02 0.00 0.00 46.19 43.24 1hbk s LEU 21 CO 0.03 0.15 1.26 -2.16 0.02 0.00 0.00 176.35 175.65 1hbk s PRO 22 N -2.60 2.75 0.28 1.29 0.04 -1.26 -4.75 135.00 130.74 1hbk s PRO 22 Ca 0.33 1.97 0.01 0.00 0.04 0.00 0.00 61.00 63.35 1hbk s PRO 22 Cb -0.12 -1.89 0.55 0.00 0.04 0.00 0.00 34.50 33.07 1hbk s PRO 22 CO 0.26 -1.42 1.81 -0.91 0.04 0.00 0.00 177.00 176.78 1hbk h ASN 23 N 0.72 0.81 -0.02 6.66 4.21 -1.98 -0.56 115.58 125.42 1hbk h ASN 23 Ca -0.51 0.06 -0.05 0.00 1.21 0.00 0.00 56.30 57.01 1hbk h ASN 23 Cb 1.32 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 38.41 1hbk h ASN 23 CO 0.54 0.40 -0.12 -0.33 -1.29 0.00 0.00 177.43 176.63 1hbk h GLU 24 N 0.87 0.30 -0.08 0.81 4.39 -1.99 0.17 114.58 119.06 1hbk h GLU 24 Ca 0.49 -0.07 -0.19 0.00 0.34 0.00 0.00 59.36 59.92 1hbk h GLU 24 Cb 0.55 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1hbk h GLU 24 CO -0.29 0.43 -0.70 1.25 -1.16 0.00 0.00 179.01 178.54 1hbk h LEU 25 N 0.29 0.75 -0.85 1.33 6.46 -1.68 -2.11 115.31 119.50 1hbk h LEU 25 Ca 0.06 -0.68 -0.03 0.00 -0.12 0.00 0.00 57.88 57.12 1hbk h LEU 25 Cb 0.40 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.06 1hbk h LEU 25 CO 0.02 1.32 0.44 0.11 -0.62 0.00 0.00 178.44 179.71 1hbk h LYS 26 N 0.25 1.21 -0.73 1.25 1.57 -0.61 -1.33 116.57 118.19 1hbk h LYS 26 Ca -0.06 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.50 1hbk h LYS 26 Cb 1.35 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 1hbk h LYS 26 CO 0.14 0.91 0.26 -0.07 -0.57 0.00 0.00 179.45 180.12 1hbk h LEU 27 N 1.21 1.03 -0.30 2.94 3.38 -0.59 0.14 115.31 123.11 1hbk h LEU 27 Ca 0.30 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1hbk h LEU 27 Cb 0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1hbk h LEU 27 CO -0.04 0.94 0.09 0.44 0.09 0.00 0.00 178.44 179.96 1hbk h ASP 28 N 1.07 0.43 -0.58 -0.43 3.32 -0.89 -0.04 116.42 119.30 1hbk h ASP 28 Ca 0.24 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1hbk h ASP 28 Cb 0.25 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1hbk h ASP 28 CO -0.01 0.52 0.37 -0.07 -1.72 0.00 0.00 179.24 178.32 1hbk h LEU 29 N 0.32 0.69 0.12 1.55 3.38 -0.95 -2.59 115.31 117.83 1hbk h LEU 29 Ca 0.10 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1hbk h LEU 29 Cb 0.24 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1hbk h LEU 29 CO -0.00 0.52 -0.19 0.22 0.09 0.00 0.00 178.44 179.08 1hbk h TYR 30 N 0.79 -0.49 -0.88 1.13 3.20 -0.48 0.55 116.97 120.77 1hbk h TYR 30 Ca 0.21 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1hbk h TYR 30 Cb -0.05 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 1hbk h TYR 30 CO -0.03 -0.28 0.46 1.57 -1.64 0.00 0.00 178.16 178.25 1hbk h LYS 31 N -0.37 1.25 -0.06 1.82 2.10 -0.90 0.59 116.57 120.99 1hbk h LYS 31 Ca 0.02 -0.16 -0.15 0.00 -2.00 0.00 0.00 60.65 58.36 1hbk h LYS 31 Cb 0.38 -0.24 -0.01 0.00 -0.90 0.00 0.00 32.23 31.46 1hbk h LYS 31 CO -0.09 0.93 -0.64 1.88 -2.00 0.00 0.00 179.45 179.53 1hbk h TYR 32 N 1.25 0.32 0.08 0.07 0.05 -1.39 -1.26 116.97 116.09 1hbk h TYR 32 Ca 0.31 -0.13 -0.00 0.00 0.05 0.00 0.00 58.73 58.96 1hbk h TYR 32 Cb 0.06 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.75 1hbk h TYR 32 CO 0.01 0.81 -0.04 -0.92 -1.05 0.00 0.00 178.16 176.98 1hbk h TYR 33 N 0.18 -0.09 -0.25 4.88 3.20 -0.36 -0.04 116.97 124.49 1hbk h TYR 33 Ca -0.01 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1hbk h TYR 33 Cb 1.16 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 1hbk h TYR 33 CO 0.02 0.04 0.15 0.87 -1.64 0.00 0.00 178.16 177.60 1hbk h LYS 34 N -0.21 0.33 0.00 1.82 1.79 -0.78 -1.58 116.57 117.94 1hbk h LYS 34 Ca -0.01 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 1hbk h LYS 34 Cb 0.17 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1hbk h LYS 34 CO 0.02 0.26 -0.17 0.37 -1.08 0.00 0.00 179.45 178.85 1hbk h GLN 35 N 0.31 0.00 -0.01 3.15 5.75 -1.17 0.94 115.11 124.08 1hbk h GLN 35 Ca 0.09 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.53 1hbk h GLN 35 Cb 0.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.57 1hbk h GLN 35 CO -0.02 0.17 -0.22 0.77 -2.65 0.00 0.00 178.83 176.88 1hbk h SER 36 N 0.00 0.21 0.06 -0.69 0.02 -0.73 -3.08 113.55 109.34 1hbk h SER 36 Ca -0.00 -0.76 -0.11 0.00 -0.84 0.00 0.00 61.79 60.08 1hbk h SER 36 Cb 0.32 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.80 1hbk h SER 36 CO 0.02 0.94 -0.52 0.71 -1.14 0.00 0.00 176.83 176.84 1hbk h THR 37 N -0.50 1.56 0.00 -2.27 1.35 -1.14 -3.41 112.91 108.50 1hbk h THR 37 Ca -0.03 -2.41 -0.38 0.00 -0.55 0.00 0.00 66.41 63.04 1hbk h THR 37 Cb 0.97 3.18 -0.07 0.00 -1.73 0.00 0.00 68.15 70.50 1hbk h THR 37 CO 0.04 0.64 -2.40 -0.38 -0.25 0.00 0.00 175.52 173.18 1hbk n ILE 38 N -4.36 1.46 0.00 6.82 5.41 0.28 -5.10 119.36 123.88 1hbk n ILE 38 Ca -0.14 -0.71 0.00 0.00 1.00 0.00 0.00 62.75 62.90 1hbk n ILE 38 Cb 0.66 -1.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.59 1hbk n ILE 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1hbk n GLY 39 N 2.00 -0.71 3.45 7.39 0.00 -0.93 -5.00 105.19 111.39 1hbk n GLY 39 Ca -0.39 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.29 1hbk n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hbk n ASN 40 N 0.00 -0.97 -4.65 1.61 4.13 -1.26 -4.26 115.26 109.87 1hbk n ASN 40 Ca 0.00 0.88 -0.52 0.00 1.68 0.00 0.00 54.58 56.62 1hbk n ASN 40 Cb 0.00 -1.11 -0.06 0.00 -1.54 0.00 0.00 39.78 37.07 1hbk n ASN 40 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1hbk n ASN 42 N 3.88 1.97 -4.78 0.00 6.94 -1.26 -5.05 115.26 116.96 1hbk n ASN 42 Ca 0.21 -2.67 -0.24 0.00 -0.02 0.00 0.00 54.58 51.86 1hbk n ASN 42 Cb 0.20 -0.30 -0.06 0.00 -2.36 0.00 0.00 39.78 37.27 1hbk n ASN 42 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1hbk s ILE 43 N -2.08 2.35 0.40 1.53 -4.36 -1.26 -5.11 121.20 112.67 1hbk s ILE 43 Ca 0.21 -1.61 -0.24 0.00 -0.26 0.00 0.00 60.65 58.75 1hbk s ILE 43 Cb 0.18 -2.96 -0.09 0.00 1.25 0.00 0.00 42.46 40.84 1hbk s ILE 43 CO 0.02 0.00 1.01 -0.54 0.24 0.00 0.00 174.94 175.67 1hbk s LYS 44 N -3.97 4.23 0.06 0.37 1.02 -1.26 -4.96 119.74 115.22 1hbk s LYS 44 Ca 0.42 1.40 -0.30 0.00 0.02 0.00 0.00 55.97 57.50 1hbk s LYS 44 Cb 0.02 -2.49 -0.09 0.00 -0.52 0.00 0.00 37.83 34.75 1hbk s LYS 44 CO 0.24 -0.07 1.96 -2.00 -0.92 0.00 0.00 175.35 174.56 1hbk s GLU 45 N -2.59 4.14 0.75 1.68 2.12 -1.26 -4.97 118.70 118.57 1hbk s GLU 45 Ca 0.58 2.63 -0.11 0.00 0.36 0.00 0.00 54.97 58.42 1hbk s GLU 45 Cb -0.19 -4.07 0.04 0.00 0.26 0.00 0.00 34.13 30.17 1hbk s GLU 45 CO 0.24 -0.94 1.09 -1.25 -0.54 0.00 0.00 175.26 173.86 1hbk s PRO 46 N 4.18 2.50 0.43 4.30 0.04 -1.26 -4.98 135.00 140.20 1hbk s PRO 46 Ca 0.88 0.57 -0.25 0.00 0.04 0.00 0.00 61.00 62.24 1hbk s PRO 46 Cb -0.44 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.05 1hbk s PRO 46 CO 0.41 -1.32 1.27 0.45 0.04 0.00 0.00 177.00 177.85 1hbk s SER 47 N -4.11 6.22 0.00 6.66 0.15 -1.26 -4.85 113.70 116.51 1hbk s SER 47 Ca 0.59 2.57 0.17 0.00 0.70 0.00 0.00 55.95 59.98 1hbk s SER 47 Cb -0.13 -2.63 0.91 0.00 -1.71 0.00 0.00 66.02 62.46 1hbk s SER 47 CO 0.53 -0.90 1.48 0.00 1.20 0.00 0.00 173.24 175.55 1hbk n ALA 48 N -0.07 1.99 0.17 5.45 0.00 -1.26 -1.58 120.51 125.21 1hbk n ALA 48 Ca 0.05 -0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.45 1hbk n ALA 48 Cb 0.45 -1.28 0.19 0.00 0.00 0.00 0.00 19.45 18.81 1hbk n ALA 48 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hbk h HIS 49 N 0.00 0.00 -2.49 0.00 -0.00 -2.03 -3.33 115.15 107.30 1hbk h HIS 49 Ca 0.00 0.00 -0.76 0.00 -0.00 0.00 0.00 60.37 59.61 1hbk h HIS 49 Cb 0.11 0.00 -0.20 0.00 -0.00 0.00 0.00 27.41 27.32 1hbk h HIS 49 CO 0.00 0.40 1.16 1.63 -0.00 0.00 0.00 177.93 181.11 1hbk n LYS 50 N -3.32 3.44 -0.32 5.26 5.02 -0.61 -4.91 118.16 122.72 1hbk n LYS 50 Ca 0.01 -4.00 -0.10 0.00 -2.02 0.00 0.00 58.31 52.21 1hbk n LYS 50 Cb 0.61 -2.91 -0.08 0.00 -0.02 0.00 0.00 35.03 32.63 1hbk n LYS 50 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1hbk h TYR 51 N 6.92 -1.58 -0.20 2.13 3.20 -1.81 0.13 116.97 125.77 1hbk h TYR 51 Ca 0.29 0.10 -0.02 0.00 3.14 0.00 0.00 58.73 62.24 1hbk h TYR 51 Cb 0.86 0.79 -0.01 0.00 1.54 0.00 0.00 36.73 39.91 1hbk h TYR 51 CO 1.02 -0.33 0.05 0.82 -1.64 0.00 0.00 178.16 178.08 1hbk h ILE 52 N -0.05 1.21 -0.92 1.81 1.08 -1.93 0.19 117.51 118.90 1hbk h ILE 52 Ca 0.12 -0.66 0.08 0.00 -0.39 0.00 0.00 64.86 64.01 1hbk h ILE 52 Cb 0.37 1.26 -0.06 0.00 -3.07 0.00 0.00 36.82 35.32 1hbk h ILE 52 CO -0.75 0.21 0.59 0.44 -0.69 0.00 0.00 178.15 177.95 1hbk h ASP 53 N 0.14 0.89 -0.49 1.72 3.32 -1.86 -0.18 116.42 119.96 1hbk h ASP 53 Ca 0.06 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 1hbk h ASP 53 Cb 0.27 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1hbk h ASP 53 CO 0.00 0.55 -0.19 -0.09 -1.72 0.00 0.00 179.24 177.79 1hbk h ARG 54 N 1.00 1.00 -0.72 3.56 9.65 -0.23 -1.06 114.38 127.58 1hbk h ARG 54 Ca 0.41 -0.42 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 1hbk h ARG 54 Cb 0.27 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.78 1hbk h ARG 54 CO -0.16 1.09 0.37 0.87 2.80 0.00 0.00 179.97 184.94 1hbk h LYS 55 N 0.86 1.01 -0.32 0.20 1.57 0.17 -0.40 116.57 119.66 1hbk h LYS 55 Ca 0.12 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1hbk h LYS 55 Cb 0.77 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1hbk h LYS 55 CO 0.06 0.76 -0.10 0.87 -0.57 0.00 0.00 179.45 180.47 1hbk h LYS 56 N 1.01 0.63 0.00 3.15 1.57 -0.84 -1.96 116.57 120.13 1hbk h LYS 56 Ca 0.25 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1hbk h LYS 56 Cb 0.06 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1hbk h LYS 56 CO -0.04 0.82 -0.10 -0.92 -0.57 0.00 0.00 179.45 178.65 1hbk h TYR 57 N 0.40 -0.25 -0.25 -1.35 3.20 -0.71 -2.04 116.97 115.98 1hbk h TYR 57 Ca 0.08 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 1hbk h TYR 57 Cb 0.61 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1hbk h TYR 57 CO 0.05 -0.15 -0.13 0.93 -1.64 0.00 0.00 178.16 177.22 1hbk h GLU 58 N -0.17 0.42 0.04 1.82 4.39 -1.05 0.02 114.58 120.05 1hbk h GLU 58 Ca 0.04 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1hbk h GLU 58 Cb 0.22 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1hbk h GLU 58 CO -0.10 0.55 -0.02 0.00 -1.16 0.00 0.00 179.01 178.28 1hbk h ALA 59 N 1.48 -0.06 -0.01 3.43 0.00 -1.07 0.23 119.26 123.26 1hbk h ALA 59 Ca 0.07 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1hbk h ALA 59 Cb 0.47 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1hbk h ALA 59 CO 0.03 -0.49 -0.02 2.35 0.00 0.00 0.00 179.25 181.12 1hbk h TRP 60 N -0.15 -0.05 -0.84 0.00 7.01 -1.15 -2.30 115.95 118.47 1hbk h TRP 60 Ca -0.01 0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.11 1hbk h TRP 60 Cb 0.13 0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.16 1hbk h TRP 60 CO -0.04 -0.04 0.54 0.87 -2.79 0.00 0.00 178.44 176.98 1hbk h LYS 61 N -0.04 0.69 0.00 2.65 1.79 -0.84 -1.33 116.57 119.49 1hbk h LYS 61 Ca 0.01 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1hbk h LYS 61 Cb 0.05 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 1hbk h LYS 61 CO -0.03 0.46 0.00 0.66 -1.08 0.00 0.00 179.45 179.45 1hbk h SER 62 N 0.71 0.00 -0.51 0.86 4.64 -0.35 -1.82 113.55 117.07 1hbk h SER 62 Ca 0.40 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.69 1hbk h SER 62 Cb 0.58 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 1hbk h SER 62 CO -0.17 0.00 0.04 1.33 -0.87 0.00 0.00 176.83 177.16 1hbk n VAL 63 N -2.86 2.67 -1.65 0.95 0.24 -0.50 -5.00 118.33 112.18 1hbk n VAL 63 Ca -0.01 -1.60 -0.44 0.00 -2.04 0.00 0.00 64.34 60.26 1hbk n VAL 63 Cb 0.19 -0.29 -0.01 0.00 -1.47 0.00 0.00 33.84 32.26 1hbk n VAL 63 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1hbk n GLU 64 N 0.18 1.79 -1.06 7.34 2.13 -0.69 -2.44 120.64 127.88 1hbk n GLU 64 Ca 0.28 0.63 -0.02 0.00 0.66 0.00 0.00 57.16 58.71 1hbk n GLU 64 Cb 1.15 -2.14 -0.01 0.00 0.27 0.00 0.00 31.44 30.71 1hbk n GLU 64 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1hbk n ASN 65 N 1.19 -3.91 -4.73 4.31 3.02 -1.26 -5.02 115.26 108.86 1hbk n ASN 65 Ca 0.08 0.05 -0.39 0.00 -0.03 0.00 0.00 54.58 54.29 1hbk n ASN 65 Cb 0.33 -1.59 -0.05 0.00 -0.61 0.00 0.00 39.78 37.86 1hbk n ASN 65 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1hbk s LEU 66 N -0.47 4.34 0.81 3.41 2.96 -1.02 -5.05 118.68 123.66 1hbk s LEU 66 Ca 0.00 1.05 -0.11 0.00 -0.22 0.00 0.00 54.13 54.85 1hbk s LEU 66 Cb 0.00 -2.90 0.08 0.00 0.50 0.00 0.00 46.19 43.87 1hbk s LEU 66 CO 0.00 -0.00 1.09 0.54 -1.32 0.00 0.00 176.35 176.66 1hbk s ASN 67 N 0.40 4.32 0.25 3.68 2.20 -1.26 -4.83 114.94 119.71 1hbk s ASN 67 Ca 0.31 1.43 -0.03 0.00 -0.94 0.00 0.00 52.86 53.63 1hbk s ASN 67 Cb -0.17 -2.16 0.49 0.00 -2.00 0.00 0.00 41.25 37.41 1hbk s ASN 67 CO 0.15 -2.09 1.74 -0.09 -2.94 0.00 0.00 177.10 173.87 1hbk h ARG 68 N -1.17 0.49 -0.60 3.55 2.43 -1.88 -2.04 114.38 115.17 1hbk h ARG 68 Ca -0.47 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 58.58 1hbk h ARG 68 Cb 1.26 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1hbk h ARG 68 CO 0.57 0.33 0.02 1.49 -1.51 0.00 0.00 179.97 180.87 1hbk h GLU 69 N 0.51 1.04 -0.11 0.20 4.81 -1.93 -1.23 114.58 117.87 1hbk h GLU 69 Ca 0.43 -0.32 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 1hbk h GLU 69 Cb 0.65 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1hbk h GLU 69 CO -0.39 1.01 -0.44 -0.44 -0.73 0.00 0.00 179.01 178.02 1hbk h ASP 70 N 0.94 0.26 -0.21 1.04 3.32 -1.83 -1.59 116.42 118.36 1hbk h ASP 70 Ca 0.17 -0.12 -0.18 0.00 0.02 0.00 0.00 57.03 56.93 1hbk h ASP 70 Cb 0.53 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1hbk h ASP 70 CO 0.03 0.67 -0.54 0.00 -1.72 0.00 0.00 179.24 177.68 1hbk h ALA 71 N 1.34 0.54 -0.45 3.45 0.00 -1.21 -1.52 119.26 121.41 1hbk h ALA 71 Ca 0.02 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 1hbk h ALA 71 Cb 0.86 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1hbk h ALA 71 CO 0.07 0.68 -0.12 1.96 0.00 0.00 0.00 179.25 181.84 1hbk h GLN 72 N 0.61 0.87 -0.71 0.00 4.20 -1.11 -1.72 115.11 117.26 1hbk h GLN 72 Ca 0.02 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.37 1hbk h GLN 72 Cb 1.13 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.83 1hbk h GLN 72 CO 0.12 0.98 0.37 -0.22 -0.67 0.00 0.00 178.83 179.41 1hbk h LYS 73 N 0.71 1.01 -0.58 1.46 3.64 -1.20 0.12 116.57 121.73 1hbk h LYS 73 Ca 0.11 -0.13 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1hbk h LYS 73 Cb 0.67 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1hbk h LYS 73 CO 0.05 0.77 -0.01 0.00 -2.27 0.00 0.00 179.45 177.98 1hbk h ARG 74 N 0.98 1.01 0.38 1.90 3.08 -1.17 0.51 114.38 121.07 1hbk h ARG 74 Ca 0.25 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1hbk h ARG 74 Cb 0.07 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1hbk h ARG 74 CO -0.04 1.00 -0.19 -0.92 -1.07 0.00 0.00 179.97 178.75 1hbk h TYR 75 N 0.92 -0.49 -0.85 3.04 5.03 -0.89 -1.58 116.97 122.17 1hbk h TYR 75 Ca 0.16 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.47 1hbk h TYR 75 Cb 0.55 0.17 -0.04 0.00 1.55 0.00 0.00 36.73 38.95 1hbk h TYR 75 CO 0.04 -0.30 0.56 0.28 -1.32 0.00 0.00 178.16 177.41 1hbk h VAL 76 N -0.52 1.22 -0.49 1.81 2.07 -0.85 -1.72 116.25 117.77 1hbk h VAL 76 Ca -0.05 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1hbk h VAL 76 Cb 0.40 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1hbk h VAL 76 CO 0.08 0.21 0.09 0.44 0.02 0.00 0.00 177.57 178.40 1hbk h ASP 77 N 1.15 0.77 -0.03 0.57 3.32 -0.72 0.39 116.42 121.87 1hbk h ASP 77 Ca 0.31 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1hbk h ASP 77 Cb -0.13 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.21 1hbk h ASP 77 CO -0.07 0.83 0.02 0.40 -1.72 0.00 0.00 179.24 178.70 1hbk h ILE 78 N 0.68 1.05 -0.42 0.35 2.04 -0.86 -1.42 117.51 118.93 1hbk h ILE 78 Ca 0.15 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1hbk h ILE 78 Cb 0.38 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1hbk h ILE 78 CO 0.01 0.04 0.21 0.58 0.00 0.00 0.00 178.15 178.99 1hbk h VAL 79 N -0.02 0.97 -0.21 1.67 2.07 -1.17 -1.79 116.25 117.78 1hbk h VAL 79 Ca 0.01 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.43 1hbk h VAL 79 Cb 0.06 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1hbk h VAL 79 CO -0.00 0.08 0.15 0.28 0.02 0.00 0.00 177.57 178.09 1hbk h SER 80 N 0.42 0.06 -0.71 0.57 0.02 -0.73 0.81 113.55 113.98 1hbk h SER 80 Ca 0.18 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 1hbk h SER 80 Cb 0.09 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1hbk h SER 80 CO -0.13 0.04 0.21 -0.08 -1.14 0.00 0.00 176.83 175.73 1hbk h GLU 81 N 0.07 1.11 0.06 3.45 4.57 -0.36 -2.74 114.58 120.73 1hbk h GLU 81 Ca 0.10 -0.25 -0.35 0.00 -1.18 0.00 0.00 59.36 57.68 1hbk h GLU 81 Cb 0.30 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1hbk h GLU 81 CO -0.01 0.96 -2.06 -0.89 -1.18 0.00 0.00 179.01 175.83 1hbk n ILE 82 N -4.28 1.64 -3.55 2.32 5.41 -0.36 -4.69 119.36 115.86 1hbk n ILE 82 Ca 0.05 -0.70 -0.27 0.00 1.00 0.00 0.00 62.75 62.83 1hbk n ILE 82 Cb 0.23 -1.35 -0.10 0.00 -0.71 0.00 0.00 39.64 37.72 1hbk n ILE 82 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1hbk n PHE 83 N -3.24 1.75 -0.21 1.39 3.72 0.27 -4.97 117.46 116.16 1hbk n PHE 83 Ca -0.31 -3.91 0.20 0.00 -0.05 0.00 0.00 57.45 53.38 1hbk n PHE 83 Cb 1.05 -0.35 0.55 0.00 -0.94 0.00 0.00 39.48 39.79 1hbk n PHE 83 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1hbk h PRO 84 N 4.92 0.32 -0.04 -1.08 0.11 -1.68 -1.11 132.00 133.44 1hbk h PRO 84 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1hbk h PRO 84 Cb 0.79 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1hbk h PRO 84 CO 0.62 0.21 0.00 2.48 -0.21 0.00 0.00 178.00 181.10 1hbk n TYR 85 N -4.46 0.04 -0.39 0.65 0.18 -1.26 -4.52 117.16 107.39 1hbk n TYR 85 Ca 0.18 -0.02 0.31 0.00 1.88 0.00 0.00 57.90 60.25 1hbk n TYR 85 Cb 0.71 0.00 0.60 0.00 -0.38 0.00 0.00 39.34 40.26 1hbk n TYR 85 CO 0.00 0.00 0.00 0.11 -2.08 0.00 0.00 176.86 174.89 1hbk h TRP 86 N 1.35 0.55 -0.44 -3.48 5.08 -1.57 0.19 115.95 117.62 1hbk h TRP 86 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 1hbk h TRP 86 Cb 0.29 -0.15 0.00 0.00 -3.00 0.00 0.00 29.16 26.30 1hbk h TRP 86 CO 0.02 -0.09 0.00 0.94 -1.28 0.00 0.00 178.44 178.04 1hbk n GLN 87 N -4.64 2.19 0.00 0.12 7.27 -1.26 -4.96 117.38 116.10 1hbk n GLN 87 Ca 0.32 -1.83 0.13 0.00 0.07 0.00 0.00 57.00 55.69 1hbk n GLN 87 Cb 1.20 -1.43 0.79 0.00 2.41 0.00 0.00 30.24 33.21 1hbk n GLN 87 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88