#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pp9 s ARG 2 N nan 3.40 0.02 1.61 0.52 -1.26 -5.74 118.95 nan 1pp9 s ARG 2 Ca nan -0.65 0.05 0.00 -0.52 0.00 0.00 55.73 nan 1pp9 s ARG 2 Cb nan -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 nan 1pp9 s ARG 2 CO nan -0.31 -0.15 -1.14 0.02 0.00 0.00 175.30 nan 1pp9 s GLN 3 N 1.57 1.10 0.26 3.54 0.74 -1.26 -5.09 119.66 120.52 1pp9 s GLN 3 Ca 0.05 -0.71 -0.31 0.00 0.05 0.00 0.00 55.36 54.44 1pp9 s GLN 3 Cb -0.16 -1.11 -0.12 0.00 1.10 0.00 0.00 33.01 32.71 1pp9 s GLN 3 CO 0.03 0.29 1.58 1.19 -0.55 0.00 0.00 175.29 177.83 1pp9 n PHE 4 N 2.17 2.66 0.00 1.67 3.72 -1.26 -1.00 117.46 125.41 1pp9 n PHE 4 Ca -0.17 0.25 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1pp9 n PHE 4 Cb 0.55 -2.58 0.00 0.00 -0.94 0.00 0.00 39.48 36.50 1pp9 n PHE 4 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pp9 n GLY 5 N 2.61 2.12 0.67 1.37 0.00 -1.26 -4.88 105.19 105.82 1pp9 n GLY 5 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 1pp9 n GLY 5 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pp9 n HIS 6 N -0.42 0.00 -0.05 1.61 8.25 -0.17 -4.91 115.22 119.53 1pp9 n HIS 6 Ca 0.00 -0.71 -0.01 0.00 -0.26 0.00 0.00 57.72 56.74 1pp9 n HIS 6 Cb 0.00 -0.14 -0.00 0.00 1.12 0.00 0.00 29.99 30.96 1pp9 n HIS 6 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1pp9 h LEU 7 N 0.48 0.00 0.00 2.41 3.38 -1.90 -3.45 115.31 116.23 1pp9 h LEU 7 Ca -0.06 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 57.97 1pp9 h LEU 7 Cb 1.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 1pp9 h LEU 7 CO 0.03 0.53 0.44 1.07 0.09 0.00 0.00 178.44 180.60 1pp9 n THR 8 N -4.76 0.00 -3.64 0.22 5.66 -1.26 -5.12 114.28 105.37 1pp9 n THR 8 Ca -0.01 -0.75 -0.36 0.00 -3.05 0.00 0.00 64.05 59.88 1pp9 n THR 8 Cb 0.03 0.86 -0.09 0.00 -1.55 0.00 0.00 70.33 69.59 1pp9 n THR 8 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1pp9 s ARG 9 N -2.07 4.12 -0.03 1.09 3.52 -1.26 -5.05 118.95 119.28 1pp9 s ARG 9 Ca 0.19 -0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.62 1pp9 s ARG 9 Cb -0.04 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.86 1pp9 s ARG 9 CO 0.08 0.11 -0.05 0.08 -0.81 0.00 0.00 175.30 174.72 1pp9 s VAL 10 N 0.90 0.50 0.02 7.11 1.01 -1.26 -5.15 120.40 123.53 1pp9 s VAL 10 Ca 0.09 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1pp9 s VAL 10 Cb -0.13 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1pp9 s VAL 10 CO 0.03 0.19 -0.07 -0.13 0.00 0.00 0.00 175.10 175.12 1pp9 s ARG 11 N 0.51 0.54 -1.44 2.72 0.52 -1.26 -4.90 118.95 115.64 1pp9 s ARG 11 Ca -0.06 -0.49 -0.01 0.00 -0.52 0.00 0.00 55.73 54.65 1pp9 s ARG 11 Cb -0.10 -0.43 0.00 0.00 0.52 0.00 0.00 34.95 34.94 1pp9 s ARG 11 CO -0.00 0.10 0.17 0.72 0.02 0.00 0.00 175.30 176.31 1pp9 n HIS 12 N 2.23 -1.10 -4.50 -0.53 8.25 -1.26 -5.02 115.22 113.29 1pp9 n HIS 12 Ca -0.17 0.14 -0.33 0.00 -0.26 0.00 0.00 57.72 57.09 1pp9 n HIS 12 Cb 0.56 -3.65 -0.15 0.00 1.12 0.00 0.00 29.99 27.88 1pp9 n HIS 12 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1pp9 s VAL 13 N -2.94 2.86 -0.08 1.59 1.01 -1.26 -5.11 120.40 116.48 1pp9 s VAL 13 Ca 0.08 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1pp9 s VAL 13 Cb -0.04 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1pp9 s VAL 13 CO 0.10 0.51 -0.05 -0.63 0.00 0.00 0.00 175.10 175.02 1pp9 s ILE 14 N 0.79 3.84 -0.09 2.22 1.01 -1.26 -5.11 121.20 122.60 1pp9 s ILE 14 Ca -0.05 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1pp9 s ILE 14 Cb -0.15 -2.59 0.02 0.00 0.01 0.00 0.00 42.46 39.75 1pp9 s ILE 14 CO 0.01 0.60 -0.12 -0.89 0.00 0.00 0.00 174.94 174.53 1pp9 s THR 15 N -0.77 1.23 -0.12 2.92 2.01 -1.26 -5.13 115.64 114.54 1pp9 s THR 15 Ca 0.12 -0.49 -0.01 0.00 0.31 0.00 0.00 61.69 61.61 1pp9 s THR 15 Cb -0.11 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1pp9 s THR 15 CO 0.02 0.39 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.96 1pp9 s TYR 16 N 1.02 2.95 0.05 4.92 1.51 -1.26 -5.12 117.35 121.42 1pp9 s TYR 16 Ca -0.07 -0.24 -0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1pp9 s TYR 16 Cb -0.15 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.83 1pp9 s TYR 16 CO -0.01 0.07 -0.03 -1.12 -1.11 0.00 0.00 175.55 173.35 1pp9 s SER 17 N -0.10 0.49 0.11 2.29 0.01 -1.26 -5.16 113.70 110.08 1pp9 s SER 17 Ca 0.01 -0.85 0.09 0.00 1.31 0.00 0.00 55.95 56.51 1pp9 s SER 17 Cb -0.13 0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.22 1pp9 s SER 17 CO 0.03 -0.50 -0.19 -0.76 0.41 0.00 0.00 173.24 172.23 1pp9 s LEU 18 N -2.50 2.65 0.44 2.44 1.43 -1.26 -5.11 118.68 116.76 1pp9 s LEU 18 Ca 0.01 -0.56 -0.25 0.00 -1.03 0.00 0.00 54.13 52.30 1pp9 s LEU 18 Cb 0.02 -1.51 -0.08 0.00 0.03 0.00 0.00 46.19 44.66 1pp9 s LEU 18 CO -0.07 0.19 1.26 -0.55 0.23 0.00 0.00 176.35 177.41 1pp9 s SER 19 N -2.04 6.16 0.63 2.29 0.15 -1.26 -4.89 113.70 114.74 1pp9 s SER 19 Ca 0.17 2.56 0.41 0.00 0.70 0.00 0.00 55.95 59.79 1pp9 s SER 19 Cb -0.10 -2.63 2.13 0.00 -1.71 0.00 0.00 66.02 63.70 1pp9 s SER 19 CO 0.09 -0.95 2.27 1.55 1.20 0.00 0.00 173.24 177.40 1pp9 h PRO 20 N 2.36 0.00 0.00 5.44 0.13 -1.99 -1.09 132.00 136.85 1pp9 h PRO 20 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1pp9 h PRO 20 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1pp9 h PRO 20 CO 0.61 0.00 0.00 0.74 -0.23 0.00 0.00 178.00 179.13 1pp9 h PHE 21 N 0.00 0.00 -0.00 1.56 0.04 -2.01 -3.18 116.94 113.34 1pp9 h PHE 21 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1pp9 h PHE 21 Cb 0.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1pp9 h PHE 21 CO 0.00 0.00 -0.71 0.39 -0.60 0.00 0.00 178.31 177.39 1pp9 n GLU 22 N -2.34 0.06 -4.44 1.51 -0.58 -0.41 -4.99 120.64 109.45 1pp9 n GLU 22 Ca 0.05 -0.05 -0.21 0.00 -0.42 0.00 0.00 57.16 56.53 1pp9 n GLU 22 Cb 0.40 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.66 1pp9 n GLU 22 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 1pp9 s GLN 23 N -2.97 1.62 0.29 3.49 -2.07 -1.20 -5.01 119.66 113.81 1pp9 s GLN 23 Ca 0.10 -1.88 -0.21 0.00 -1.82 0.00 0.00 55.36 51.55 1pp9 s GLN 23 Cb 0.17 -0.92 -0.09 0.00 -1.09 0.00 0.00 33.01 31.08 1pp9 s GLN 23 CO 0.76 -0.14 0.82 1.03 -1.32 0.00 0.00 175.29 176.44 1pp9 s ARG 24 N -3.86 4.33 0.23 9.60 0.52 -1.26 -4.96 118.95 123.56 1pp9 s ARG 24 Ca 0.35 1.02 0.20 0.00 -0.52 0.00 0.00 55.73 56.78 1pp9 s ARG 24 Cb 0.08 -2.74 0.05 0.00 0.52 0.00 0.00 34.95 32.86 1pp9 s ARG 24 CO 0.14 0.29 1.18 0.00 0.02 0.00 0.00 175.30 176.94 1pp9 h ALA 25 N 3.07 0.67 -1.84 2.13 0.00 -2.01 -3.38 119.26 117.91 1pp9 h ALA 25 Ca -0.48 -0.26 -0.55 0.00 0.00 0.00 0.00 54.91 53.62 1pp9 h ALA 25 Cb 1.19 0.05 -0.41 0.00 0.00 0.00 0.00 17.79 18.62 1pp9 h ALA 25 CO 0.65 0.30 -0.81 1.19 0.00 0.00 0.00 179.25 180.58 1pp9 n PHE 26 N -2.90 2.97 -2.07 0.00 3.72 -1.26 -5.06 117.46 112.85 1pp9 n PHE 26 Ca -0.01 -3.54 -0.42 0.00 -0.05 0.00 0.00 57.45 53.43 1pp9 n PHE 26 Cb 0.64 -0.33 -0.03 0.00 -0.94 0.00 0.00 39.48 38.82 1pp9 n PHE 26 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1pp9 s PRO 27 N -3.31 4.24 -1.63 -1.08 0.04 -1.26 -3.03 135.00 128.97 1pp9 s PRO 27 Ca 0.45 2.16 -0.13 0.00 0.04 0.00 0.00 61.00 63.52 1pp9 s PRO 27 Cb 0.35 -3.53 0.11 0.00 0.04 0.00 0.00 34.50 31.47 1pp9 s PRO 27 CO -0.13 -0.64 0.65 0.72 0.04 0.00 0.00 177.00 177.64 1pp9 n HIS 28 N 5.28 -1.68 -0.05 0.56 8.25 -1.26 -4.86 115.22 121.46 1pp9 n HIS 28 Ca 0.14 0.77 -0.11 0.00 -0.26 0.00 0.00 57.72 58.27 1pp9 n HIS 28 Cb 0.42 -3.10 -0.05 0.00 1.12 0.00 0.00 29.99 28.38 1pp9 n HIS 28 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1pp9 h TYR 29 N -1.58 -1.17 0.07 4.41 3.20 -1.95 -0.91 116.97 119.04 1pp9 h TYR 29 Ca -0.60 0.06 -0.25 0.00 3.14 0.00 0.00 58.73 61.07 1pp9 h TYR 29 Cb 1.38 0.55 -0.01 0.00 1.54 0.00 0.00 36.73 40.19 1pp9 h TYR 29 CO 0.60 -0.45 -1.32 0.74 -1.64 0.00 0.00 178.16 176.08 1pp9 h PHE 30 N -0.41 0.27 -0.85 -3.82 0.04 -1.90 -1.01 116.94 109.27 1pp9 h PHE 30 Ca 0.11 -0.20 0.14 0.00 2.80 0.00 0.00 57.97 60.82 1pp9 h PHE 30 Cb 0.60 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.67 1pp9 h PHE 30 CO -0.53 1.52 0.55 0.66 -0.60 0.00 0.00 178.31 179.91 1pp9 h SER 31 N -0.54 0.57 0.00 2.17 4.64 -1.95 -2.71 113.55 115.73 1pp9 h SER 31 Ca -0.31 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 60.98 1pp9 h SER 31 Cb 1.59 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.59 1pp9 h SER 31 CO -0.03 0.29 -1.45 0.29 -0.87 0.00 0.00 176.83 175.06 1pp9 n LYS 32 N -4.53 1.39 -0.02 4.77 5.02 -0.36 -4.57 118.16 119.86 1pp9 n LYS 32 Ca 0.16 -0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 56.29 1pp9 n LYS 32 Cb 0.49 -1.20 -0.07 0.00 -0.02 0.00 0.00 35.03 34.24 1pp9 n LYS 32 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1pp9 h GLY 33 N 1.52 0.18 0.75 0.72 0.00 -1.06 -2.70 103.07 102.47 1pp9 h GLY 33 Ca -0.10 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.13 1pp9 h GLY 33 CO 0.01 0.11 -0.15 -2.22 0.00 0.00 0.00 176.54 174.28 1pp9 h ILE 34 N -0.06 0.65 -1.00 2.60 1.08 -1.62 0.62 117.51 119.78 1pp9 h ILE 34 Ca 0.03 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.65 1pp9 h ILE 34 Cb 0.27 0.65 -0.09 0.00 -3.07 0.00 0.00 36.82 34.57 1pp9 h ILE 34 CO 0.00 0.00 0.61 -0.65 -0.69 0.00 0.00 178.15 177.43 1pp9 h PRO 35 N -0.31 0.87 -0.41 2.37 0.11 -1.78 0.10 132.00 132.95 1pp9 h PRO 35 Ca 0.02 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.95 1pp9 h PRO 35 Cb 0.32 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 1pp9 h PRO 35 CO -0.08 0.58 -0.25 -0.97 -0.21 0.00 0.00 178.00 177.07 1pp9 h ASN 36 N 0.90 0.87 -0.23 -2.05 -1.24 -1.03 -0.27 115.58 112.53 1pp9 h ASN 36 Ca 0.52 -0.33 -0.02 0.00 0.71 0.00 0.00 56.30 57.18 1pp9 h ASN 36 Cb 0.63 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 1pp9 h ASN 36 CO -0.31 1.07 0.07 0.58 -1.29 0.00 0.00 177.43 177.55 1pp9 h VAL 37 N 0.73 1.20 -0.58 2.57 2.07 0.57 -0.58 116.25 122.23 1pp9 h VAL 37 Ca 0.09 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.03 1pp9 h VAL 37 Cb 0.79 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 1pp9 h VAL 37 CO 0.07 0.20 0.31 -0.07 0.02 0.00 0.00 177.57 178.10 1pp9 h LEU 38 N 0.20 0.47 0.09 2.57 3.38 -0.70 0.15 115.31 121.46 1pp9 h LEU 38 Ca 0.07 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1pp9 h LEU 38 Cb 0.25 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1pp9 h LEU 38 CO -0.00 0.31 -0.04 -0.09 0.09 0.00 0.00 178.44 178.71 1pp9 h ARG 39 N 0.60 -0.11 -0.84 1.13 2.43 -0.80 -0.31 114.38 116.47 1pp9 h ARG 39 Ca 0.26 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.44 1pp9 h ARG 39 Cb 0.14 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1pp9 h ARG 39 CO -0.16 -0.05 0.55 0.00 -1.51 0.00 0.00 179.97 178.80 1pp9 h ARG 40 N -0.14 1.12 -0.34 0.20 3.08 -0.65 -0.27 114.38 117.37 1pp9 h ARG 40 Ca -0.01 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1pp9 h ARG 40 Cb 0.11 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1pp9 h ARG 40 CO 0.02 0.75 0.18 1.15 -1.07 0.00 0.00 179.97 181.00 1pp9 h THR 41 N 1.15 1.15 -0.48 2.04 2.02 -0.46 -2.78 112.91 115.54 1pp9 h THR 41 Ca 0.31 -0.41 -0.08 0.00 0.77 0.00 0.00 66.41 67.00 1pp9 h THR 41 Cb -0.12 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1pp9 h THR 41 CO -0.06 0.15 -0.01 0.03 0.37 0.00 0.00 175.52 176.00 1pp9 h ARG 42 N 0.42 0.86 -0.06 6.66 3.08 -0.71 -1.66 114.38 122.97 1pp9 h ARG 42 Ca 0.12 -0.28 0.02 0.00 0.07 0.00 0.00 59.98 59.91 1pp9 h ARG 42 Cb 0.09 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1pp9 h ARG 42 CO -0.02 0.90 0.05 0.00 -1.07 0.00 0.00 179.97 179.83 1pp9 h ALA 43 N 0.92 1.84 0.00 0.04 0.00 -0.89 -3.22 119.26 117.94 1pp9 h ALA 43 Ca 0.13 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.75 1pp9 h ALA 43 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1pp9 h ALA 43 CO 0.03 -0.08 -2.10 0.00 0.00 0.00 0.00 179.25 177.10 1pp9 n ILE 45 N -2.59 -0.36 0.27 0.00 2.08 -0.64 0.90 119.36 119.02 1pp9 n ILE 45 Ca -0.26 1.85 0.15 0.00 0.56 0.00 0.00 62.75 65.05 1pp9 n ILE 45 Cb 1.02 -2.75 0.77 0.00 -0.75 0.00 0.00 39.64 37.93 1pp9 n ILE 45 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1pp9 h LEU 46 N 0.00 0.00 0.05 1.39 4.07 -1.84 -1.19 115.31 117.79 1pp9 h LEU 46 Ca 0.55 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 58.18 1pp9 h LEU 46 Cb 1.21 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.91 1pp9 h LEU 46 CO -0.78 0.09 -1.96 0.54 -1.08 0.00 0.00 178.44 175.25 1pp9 n ARG 47 N -3.42 0.69 -0.08 1.13 3.00 0.26 -4.53 116.66 113.70 1pp9 n ARG 47 Ca -0.01 0.24 -0.15 0.00 -0.01 0.00 0.00 57.85 57.91 1pp9 n ARG 47 Cb 0.24 -1.71 -0.10 0.00 0.00 0.00 0.00 32.46 30.90 1pp9 n ARG 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1pp9 h VAL 48 N 0.03 0.97 -0.13 1.55 2.07 -1.12 -3.43 116.25 116.18 1pp9 h VAL 48 Ca -0.39 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.17 1pp9 h VAL 48 Cb 2.04 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 33.87 1pp9 h VAL 48 CO 0.06 0.33 0.08 0.00 0.02 0.00 0.00 177.57 178.07 1pp9 h ALA 49 N -0.46 0.16 -0.79 1.67 0.00 -1.47 -3.35 119.26 115.02 1pp9 h ALA 49 Ca -0.17 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.87 1pp9 h ALA 49 Cb 0.99 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.58 1pp9 h ALA 49 CO -0.10 -0.35 -0.29 -1.35 0.00 0.00 0.00 179.25 177.16 1pp9 h PRO 50 N 0.17 -0.05 -0.63 0.00 0.11 -1.80 -0.06 132.00 129.74 1pp9 h PRO 50 Ca 0.05 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.25 1pp9 h PRO 50 Cb -0.01 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 1pp9 h PRO 50 CO -0.01 -0.04 0.42 -1.35 -0.21 0.00 0.00 178.00 176.81 1pp9 h PRO 51 N -0.06 0.47 0.00 1.05 0.11 -1.87 0.95 132.00 132.66 1pp9 h PRO 51 Ca 0.33 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.28 1pp9 h PRO 51 Cb 0.58 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 1pp9 h PRO 51 CO -0.83 0.31 -0.62 0.74 -0.21 0.00 0.00 178.00 177.40 1pp9 h PHE 52 N 0.49 0.00 -0.30 0.65 0.04 -1.24 -1.16 116.94 115.41 1pp9 h PHE 52 Ca 0.29 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.88 1pp9 h PHE 52 Cb 0.48 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.63 1pp9 h PHE 52 CO -0.00 0.62 -0.50 0.28 -0.60 0.00 0.00 178.31 178.11 1pp9 h VAL 53 N 0.00 1.28 -0.43 -0.55 2.07 0.32 -1.24 116.25 117.69 1pp9 h VAL 53 Ca -0.01 -1.68 -0.00 0.00 0.82 0.00 0.00 66.70 65.83 1pp9 h VAL 53 Cb 1.33 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 1pp9 h VAL 53 CO 0.08 0.55 0.27 0.00 0.02 0.00 0.00 177.57 178.48 1pp9 h ALA 54 N 0.69 0.55 -0.44 1.67 0.00 -0.69 -0.12 119.26 120.92 1pp9 h ALA 54 Ca 0.02 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1pp9 h ALA 54 Cb 1.10 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1pp9 h ALA 54 CO 0.11 0.03 0.15 0.35 0.00 0.00 0.00 179.25 179.90 1pp9 h PHE 55 N 0.57 0.27 -0.42 0.00 3.57 -1.04 0.12 116.94 120.02 1pp9 h PHE 55 Ca 0.16 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1pp9 h PHE 55 Cb -0.02 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 1pp9 h PHE 55 CO -0.04 0.10 0.19 -0.92 -2.23 0.00 0.00 178.31 175.41 1pp9 h TYR 56 N 0.32 0.34 -0.17 0.41 3.20 -0.42 0.60 116.97 121.25 1pp9 h TYR 56 Ca 0.20 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1pp9 h TYR 56 Cb 0.20 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1pp9 h TYR 56 CO -0.15 0.16 0.05 -0.07 -1.64 0.00 0.00 178.16 176.51 1pp9 h LEU 57 N 0.38 0.25 -0.95 2.82 3.38 -0.41 0.11 115.31 120.89 1pp9 h LEU 57 Ca 0.19 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1pp9 h LEU 57 Cb 0.13 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1pp9 h LEU 57 CO -0.15 0.39 0.45 0.58 0.09 0.00 0.00 178.44 179.79 1pp9 h VAL 58 N 0.10 1.25 0.25 1.22 2.07 -0.44 0.83 116.25 121.53 1pp9 h VAL 58 Ca 0.06 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1pp9 h VAL 58 Cb 0.23 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1pp9 h VAL 58 CO -0.00 0.29 -0.12 0.22 0.02 0.00 0.00 177.57 177.97 1pp9 h TYR 59 N 1.19 -0.31 -0.64 1.57 3.20 0.57 -0.39 116.97 122.16 1pp9 h TYR 59 Ca 0.30 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.07 1pp9 h TYR 59 Cb 0.05 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1pp9 h TYR 59 CO 0.01 -0.12 0.06 1.79 -1.64 0.00 0.00 178.16 178.26 1pp9 h THR 60 N -0.44 1.26 -0.14 1.81 1.35 -0.60 -1.91 112.91 114.24 1pp9 h THR 60 Ca -0.03 -1.09 -0.01 0.00 -0.55 0.00 0.00 66.41 64.73 1pp9 h THR 60 Cb 0.34 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 1pp9 h THR 60 CO 0.06 0.40 0.05 -0.25 -0.25 0.00 0.00 175.52 175.53 1pp9 h TRP 61 N 1.00 0.21 -0.71 4.73 7.01 -0.78 -1.82 115.95 125.60 1pp9 h TRP 61 Ca 0.19 -0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.11 1pp9 h TRP 61 Cb 0.49 -0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.46 1pp9 h TRP 61 CO 0.04 0.31 0.20 0.78 -2.79 0.00 0.00 178.44 176.97 1pp9 h GLY 62 N 0.05 1.20 0.96 2.65 0.00 -1.02 -0.67 103.07 106.23 1pp9 h GLY 62 Ca 0.04 -0.73 -0.05 0.00 0.00 0.00 0.00 47.33 46.60 1pp9 h GLY 62 CO -0.00 0.68 0.09 -0.84 0.00 0.00 0.00 176.54 176.46 1pp9 h THR 63 N 1.05 1.24 -0.28 4.70 2.02 -1.29 -1.15 112.91 119.20 1pp9 h THR 63 Ca 0.22 -0.86 -0.04 0.00 0.77 0.00 0.00 66.41 66.50 1pp9 h THR 63 Cb 0.34 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1pp9 h THR 63 CO -0.00 0.30 0.03 1.56 0.37 0.00 0.00 175.52 177.78 1pp9 h GLN 64 N 0.60 0.47 -0.72 6.66 4.20 -1.18 -2.22 115.11 122.92 1pp9 h GLN 64 Ca 0.14 -0.13 0.08 0.00 0.06 0.00 0.00 58.65 58.79 1pp9 h GLN 64 Cb 0.36 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.04 1pp9 h GLN 64 CO 0.01 0.60 0.48 1.49 -0.67 0.00 0.00 178.83 180.73 1pp9 h GLU 65 N 0.28 0.68 -0.09 1.46 4.57 -1.03 -0.57 114.58 119.89 1pp9 h GLU 65 Ca 0.08 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1pp9 h GLU 65 Cb 0.36 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1pp9 h GLU 65 CO 0.01 0.45 -0.00 0.35 -1.18 0.00 0.00 179.01 178.64 1pp9 h PHE 66 N 0.70 0.17 0.16 0.92 3.57 -0.81 -2.37 116.94 119.28 1pp9 h PHE 66 Ca 0.32 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 1pp9 h PHE 66 Cb 0.34 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1pp9 h PHE 66 CO -0.00 0.42 -0.08 0.93 -2.23 0.00 0.00 178.31 177.35 1pp9 h GLU 67 N -0.12 -0.20 -0.91 1.11 4.39 -0.89 -2.76 114.58 115.19 1pp9 h GLU 67 Ca 0.03 0.01 0.18 0.00 0.34 0.00 0.00 59.36 59.92 1pp9 h GLU 67 Cb 0.35 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 28.94 1pp9 h GLU 67 CO 0.00 -0.06 0.48 0.87 -1.16 0.00 0.00 179.01 179.15 1pp9 h LYS 68 N -0.31 0.58 0.00 2.33 1.57 -1.15 0.20 116.57 119.79 1pp9 h LYS 68 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1pp9 h LYS 68 Cb 0.24 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1pp9 h LYS 68 CO 0.04 0.39 0.00 -1.13 -0.57 0.00 0.00 179.45 178.17 1pp9 n SER 69 N -4.89 0.46 -0.80 0.86 3.41 -0.89 -2.53 113.62 109.25 1pp9 n SER 69 Ca 0.21 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.55 1pp9 n SER 69 Cb 0.55 -0.71 0.30 0.00 -0.26 0.00 0.00 64.21 64.08 1pp9 n SER 69 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1pp9 n LYS 70 N -2.02 2.06 -4.54 4.33 5.02 0.70 -4.96 118.16 118.76 1pp9 n LYS 70 Ca 0.02 -1.58 -0.27 0.00 -2.02 0.00 0.00 58.31 54.46 1pp9 n LYS 70 Cb 0.20 -1.45 -0.10 0.00 -0.02 0.00 0.00 35.03 33.66 1pp9 n LYS 70 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1pp9 s ARG 71 N -1.72 1.91 0.11 1.97 1.70 -1.05 -5.07 118.95 116.80 1pp9 s ARG 71 Ca 0.34 -1.98 -0.25 0.00 -0.47 0.00 0.00 55.73 53.37 1pp9 s ARG 71 Cb 0.20 -1.71 -0.08 0.00 -0.57 0.00 0.00 34.95 32.78 1pp9 s ARG 71 CO 0.29 0.06 1.66 0.87 -1.08 0.00 0.00 175.30 177.10 1pp9 h LYS 72 N 1.89 -0.33 -3.62 3.89 1.57 -1.93 -3.37 116.57 114.67 1pp9 h LYS 72 Ca -0.43 0.02 -0.64 0.00 -1.87 0.00 0.00 60.65 57.73 1pp9 h LYS 72 Cb 1.25 0.08 -0.41 0.00 0.08 0.00 0.00 32.23 33.22 1pp9 h LYS 72 CO 0.74 -0.22 -0.65 1.21 -0.57 0.00 0.00 179.45 179.96 1pp9 s ASN 73 N -4.92 4.38 -0.02 0.86 3.04 -1.26 -5.07 114.94 111.95 1pp9 s ASN 73 Ca -0.15 -2.84 -0.30 0.00 0.04 0.00 0.00 52.86 49.61 1pp9 s ASN 73 Cb 0.08 -1.62 -0.07 0.00 -1.54 0.00 0.00 41.25 38.10 1pp9 s ASN 73 CO 0.66 -0.26 1.90 -2.84 -3.04 0.00 0.00 177.10 173.52 1pp9 s PRO 74 N -0.05 4.05 0.00 0.43 0.02 -1.26 -5.12 135.00 133.07 1pp9 s PRO 74 Ca 0.16 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.60 1pp9 s PRO 74 Cb -0.25 -4.14 0.00 0.00 0.02 0.00 0.00 34.50 30.14 1pp9 s PRO 74 CO -0.02 -1.05 0.00 0.00 -0.33 0.00 0.00 177.00 175.61