#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqv s ARG 2 N 0.00 0.15 0.06 1.61 0.52 -1.26 -5.17 118.95 114.86 1sqv s ARG 2 Ca 0.00 -0.10 0.07 0.00 -0.52 0.00 0.00 55.73 55.18 1sqv s ARG 2 Cb 0.00 0.06 -0.03 0.00 0.52 0.00 0.00 34.95 35.50 1sqv s ARG 2 CO 0.00 -0.03 -0.20 -0.65 0.02 0.00 0.00 175.30 174.44 1sqv s GLN 3 N -0.39 1.28 0.36 3.54 1.11 -1.26 -5.06 119.66 119.25 1sqv s GLN 3 Ca -0.04 -0.98 -0.28 0.00 0.01 0.00 0.00 55.36 54.06 1sqv s GLN 3 Cb -0.03 -1.42 -0.11 0.00 -1.01 0.00 0.00 33.01 30.44 1sqv s GLN 3 CO -0.00 0.35 1.49 -0.06 0.01 0.00 0.00 175.29 177.08 1sqv s PHE 4 N -0.90 2.64 0.00 0.91 0.08 -1.26 -1.54 117.98 117.91 1sqv s PHE 4 Ca 0.07 1.13 0.00 0.00 0.12 0.00 0.00 56.93 58.25 1sqv s PHE 4 Cb -0.09 -4.00 0.00 0.00 -0.57 0.00 0.00 43.02 38.36 1sqv s PHE 4 CO 0.02 -2.99 0.00 0.41 -0.10 0.00 0.00 175.22 172.57 1sqv n GLY 5 N 0.72 2.97 0.91 4.36 0.00 -1.26 -4.87 105.19 108.02 1sqv n GLY 5 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 1sqv n GLY 5 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sqv n HIS 6 N -1.08 0.00 0.00 1.61 8.25 -0.59 -4.90 115.22 118.52 1sqv n HIS 6 Ca 0.00 -0.90 0.00 0.00 -0.26 0.00 0.00 57.72 56.56 1sqv n HIS 6 Cb 0.00 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 30.93 1sqv n HIS 6 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1sqv n LEU 7 N -0.38 0.12 -3.94 2.41 4.77 -1.22 -4.70 117.00 114.06 1sqv n LEU 7 Ca 0.12 0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 56.19 1sqv n LEU 7 Cb 0.87 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 1sqv n LEU 7 CO -0.03 -0.46 0.35 0.28 -1.33 0.00 0.00 177.39 176.20 1sqv s THR 8 N -0.91 0.00 -0.18 -5.08 -1.32 -1.26 -5.09 115.64 101.79 1sqv s THR 8 Ca 0.00 -1.28 -0.06 0.00 -1.21 0.00 0.00 61.69 59.14 1sqv s THR 8 Cb 0.00 -2.73 -0.04 0.00 -1.51 0.00 0.00 72.50 68.23 1sqv s THR 8 CO 0.00 0.00 0.03 -0.60 -2.21 0.00 0.00 174.62 171.84 1sqv s ARG 9 N -2.73 3.85 -0.10 7.08 3.52 -1.26 -5.04 118.95 124.27 1sqv s ARG 9 Ca 0.22 -0.41 -0.05 0.00 -0.13 0.00 0.00 55.73 55.36 1sqv s ARG 9 Cb -0.03 -3.14 0.04 0.00 -1.56 0.00 0.00 34.95 30.27 1sqv s ARG 9 CO 0.15 0.21 0.23 0.08 -0.81 0.00 0.00 175.30 175.16 1sqv s VAL 10 N 0.51 -0.04 -0.01 7.11 1.01 -1.26 -5.14 120.40 122.58 1sqv s VAL 10 Ca 0.01 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.16 1sqv s VAL 10 Cb -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.90 1sqv s VAL 10 CO 0.01 0.06 -0.05 -0.13 0.00 0.00 0.00 175.10 174.99 1sqv s ARG 11 N 1.24 0.51 -0.10 2.72 0.52 -1.26 -4.91 118.95 117.68 1sqv s ARG 11 Ca -0.09 -0.18 0.00 0.00 -0.52 0.00 0.00 55.73 54.94 1sqv s ARG 11 Cb -0.11 -0.51 0.00 0.00 0.52 0.00 0.00 34.95 34.85 1sqv s ARG 11 CO -0.08 0.08 0.00 0.72 0.02 0.00 0.00 175.30 176.04 1sqv n HIS 12 N 3.15 -0.03 -4.03 -0.53 8.25 -1.26 -5.04 115.22 115.74 1sqv n HIS 12 Ca -0.16 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 56.99 1sqv n HIS 12 Cb 0.57 -0.91 -0.16 0.00 1.12 0.00 0.00 29.99 30.61 1sqv n HIS 12 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sqv s VAL 13 N -2.04 1.81 -0.28 1.59 1.01 -1.26 -5.09 120.40 116.14 1sqv s VAL 13 Ca 0.00 -1.09 -0.14 0.00 0.00 0.00 0.00 61.98 60.74 1sqv s VAL 13 Cb 0.00 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1sqv s VAL 13 CO 0.00 0.22 0.35 -0.63 0.00 0.00 0.00 175.10 175.04 1sqv s ILE 14 N 1.33 5.19 -0.25 2.22 1.01 -1.26 -5.06 121.20 124.37 1sqv s ILE 14 Ca -0.01 0.49 -0.12 0.00 0.00 0.00 0.00 60.65 61.00 1sqv s ILE 14 Cb -0.16 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 1sqv s ILE 14 CO -0.09 0.15 0.25 -0.89 0.00 0.00 0.00 174.94 174.36 1sqv s THR 15 N 2.03 5.28 -0.15 2.92 2.01 -1.26 -5.09 115.64 121.39 1sqv s THR 15 Ca 0.14 0.33 -0.14 0.00 0.31 0.00 0.00 61.69 62.33 1sqv s THR 15 Cb -0.16 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 1sqv s THR 15 CO 0.10 0.26 0.29 -0.31 -0.69 0.00 0.00 174.62 174.28 1sqv s TYR 16 N 1.51 3.48 0.31 4.92 1.51 -1.26 -5.10 117.35 122.72 1sqv s TYR 16 Ca 0.10 0.61 0.05 0.00 -1.01 0.00 0.00 57.07 56.83 1sqv s TYR 16 Cb -0.15 -2.32 -0.06 0.00 -0.11 0.00 0.00 41.96 39.31 1sqv s TYR 16 CO 0.08 0.27 -0.00 -1.12 -1.11 0.00 0.00 175.55 173.67 1sqv s SER 17 N 0.35 2.74 0.00 2.29 0.01 -1.26 -5.17 113.70 112.66 1sqv s SER 17 Ca 0.17 -1.29 0.02 0.00 1.31 0.00 0.00 55.95 56.15 1sqv s SER 17 Cb -0.13 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 1sqv s SER 17 CO 0.04 -0.46 -0.05 -0.22 0.41 0.00 0.00 173.24 172.96 1sqv s LEU 18 N -3.49 2.05 0.35 2.44 2.96 -1.26 -5.15 118.68 116.58 1sqv s LEU 18 Ca 0.33 -0.16 -0.27 0.00 -0.22 0.00 0.00 54.13 53.81 1sqv s LEU 18 Cb 0.07 -0.23 -0.09 0.00 0.50 0.00 0.00 46.19 46.44 1sqv s LEU 18 CO 0.14 0.01 1.15 -0.55 -1.32 0.00 0.00 176.35 175.78 1sqv s SER 19 N -0.35 6.86 0.10 3.68 0.15 -1.26 -4.91 113.70 117.96 1sqv s SER 19 Ca -0.00 2.32 0.20 0.00 0.70 0.00 0.00 55.95 59.17 1sqv s SER 19 Cb -0.03 -2.62 0.82 0.00 -1.71 0.00 0.00 66.02 62.48 1sqv s SER 19 CO -0.00 -0.44 1.62 -2.65 1.20 0.00 0.00 173.24 172.98 1sqv n PRO 20 N 0.56 0.08 -0.00 5.44 -0.02 -1.26 -0.40 135.00 139.40 1sqv n PRO 20 Ca 0.02 0.27 0.14 0.00 -2.02 0.00 0.00 63.50 61.91 1sqv n PRO 20 Cb 0.46 -1.64 0.55 0.00 -0.02 0.00 0.00 33.50 32.84 1sqv n PRO 20 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1sqv n PHE 21 N -1.80 0.01 0.74 6.00 3.01 -1.26 -3.73 117.46 120.43 1sqv n PHE 21 Ca 0.04 -0.01 0.08 0.00 1.01 0.00 0.00 57.45 58.57 1sqv n PHE 21 Cb 0.23 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.70 1sqv n PHE 21 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1sqv n GLU 22 N 0.09 1.63 -3.89 -1.08 -0.58 0.46 -5.06 120.64 112.22 1sqv n GLU 22 Ca 0.19 -0.84 -0.09 0.00 -0.42 0.00 0.00 57.16 56.01 1sqv n GLU 22 Cb 0.33 -1.29 -0.07 0.00 -0.57 0.00 0.00 31.44 29.84 1sqv n GLU 22 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 1sqv s GLN 23 N -1.94 0.93 0.16 3.49 -2.07 -1.22 -5.01 119.66 114.00 1sqv s GLN 23 Ca 0.14 -1.02 -0.30 0.00 -1.82 0.00 0.00 55.36 52.36 1sqv s GLN 23 Cb 0.13 0.35 -0.07 0.00 -1.09 0.00 0.00 33.01 32.33 1sqv s GLN 23 CO 0.42 -0.31 1.12 1.03 -1.32 0.00 0.00 175.29 176.23 1sqv s ARG 24 N -3.89 4.56 0.03 9.60 0.52 -1.26 -4.90 118.95 123.60 1sqv s ARG 24 Ca 0.08 1.74 -0.21 0.00 -0.52 0.00 0.00 55.73 56.83 1sqv s ARG 24 Cb 0.04 -3.28 -0.16 0.00 0.52 0.00 0.00 34.95 32.08 1sqv s ARG 24 CO -0.08 0.01 1.30 0.00 0.02 0.00 0.00 175.30 176.56 1sqv h ALA 25 N 5.33 0.18 -2.92 2.13 0.00 -2.01 -3.39 119.26 118.58 1sqv h ALA 25 Ca -0.44 -0.34 -0.71 0.00 0.00 0.00 0.00 54.91 53.41 1sqv h ALA 25 Cb 1.21 -0.04 -0.32 0.00 0.00 0.00 0.00 17.79 18.65 1sqv h ALA 25 CO 0.74 0.09 -0.40 -0.06 0.00 0.00 0.00 179.25 179.62 1sqv s PHE 26 N -4.15 3.49 -0.21 0.00 0.08 -1.26 -5.07 117.98 110.86 1sqv s PHE 26 Ca -0.14 -2.24 -0.04 0.00 0.12 0.00 0.00 56.93 54.62 1sqv s PHE 26 Cb 0.05 -3.37 -0.02 0.00 -0.57 0.00 0.00 43.02 39.11 1sqv s PHE 26 CO 0.75 -0.95 -0.02 -1.25 -0.10 0.00 0.00 175.22 173.65 1sqv s PRO 27 N 0.87 3.48 -1.39 0.24 0.04 -1.26 -4.72 135.00 132.26 1sqv s PRO 27 Ca 0.10 -0.58 -0.00 0.00 0.04 0.00 0.00 61.00 60.56 1sqv s PRO 27 Cb -0.23 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1sqv s PRO 27 CO -0.03 -0.12 0.47 0.72 0.04 0.00 0.00 177.00 178.09 1sqv n HIS 28 N 4.59 -1.70 -0.18 0.56 8.25 -1.26 -4.86 115.22 120.62 1sqv n HIS 28 Ca -0.18 0.77 -0.09 0.00 -0.26 0.00 0.00 57.72 57.96 1sqv n HIS 28 Cb 0.51 -3.86 0.05 0.00 1.12 0.00 0.00 29.99 27.81 1sqv n HIS 28 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1sqv h TYR 29 N -1.84 1.10 0.00 4.41 3.20 -1.97 -0.68 116.97 121.18 1sqv h TYR 29 Ca -0.63 -0.21 -0.36 0.00 3.14 0.00 0.00 58.73 60.68 1sqv h TYR 29 Cb 1.37 -0.28 -0.07 0.00 1.54 0.00 0.00 36.73 39.30 1sqv h TYR 29 CO 0.48 1.00 -2.35 1.19 -1.64 0.00 0.00 178.16 176.84 1sqv n PHE 30 N -4.16 0.00 -0.27 -3.82 3.72 -1.26 -2.28 117.46 109.39 1sqv n PHE 30 Ca 0.02 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.49 1sqv n PHE 30 Cb 0.37 -0.94 0.20 0.00 -0.94 0.00 0.00 39.48 38.18 1sqv n PHE 30 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1sqv h SER 31 N 0.00 -0.15 0.00 4.37 0.02 -1.95 -3.12 113.55 112.72 1sqv h SER 31 Ca -0.53 0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 60.50 1sqv h SER 31 Cb 1.97 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 64.77 1sqv h SER 31 CO -0.04 -0.13 -1.59 0.29 -1.14 0.00 0.00 176.83 174.22 1sqv n LYS 32 N -5.26 1.48 0.20 3.45 5.02 -0.27 -4.65 118.16 118.13 1sqv n LYS 32 Ca 0.16 -0.05 -0.12 0.00 -2.02 0.00 0.00 58.31 56.28 1sqv n LYS 32 Cb 0.53 -1.25 -0.07 0.00 -0.02 0.00 0.00 35.03 34.22 1sqv n LYS 32 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1sqv h GLY 33 N 1.93 -0.59 0.32 0.72 0.00 -1.43 -3.13 103.07 100.89 1sqv h GLY 33 Ca -0.15 0.22 0.11 0.00 0.00 0.00 0.00 47.33 47.51 1sqv h GLY 33 CO 0.01 -0.21 0.26 0.16 0.00 0.00 0.00 176.54 176.75 1sqv h ILE 34 N -0.99 0.74 -0.78 2.60 -0.00 -1.69 -0.67 117.51 116.73 1sqv h ILE 34 Ca -0.06 -0.15 0.17 0.00 -0.00 0.00 0.00 64.86 64.82 1sqv h ILE 34 Cb 0.55 0.27 -0.05 0.00 -0.00 0.00 0.00 36.82 37.59 1sqv h ILE 34 CO 0.09 0.08 0.52 -0.65 -0.00 0.00 0.00 178.15 178.20 1sqv h PRO 35 N 0.43 0.36 -0.02 0.16 0.11 -1.79 -2.74 132.00 128.51 1sqv h PRO 35 Ca 0.34 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.40 1sqv h PRO 35 Cb 0.45 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1sqv h PRO 35 CO -0.33 0.24 -0.11 -0.91 -0.21 0.00 0.00 178.00 176.67 1sqv h ASN 36 N 0.37 0.13 -0.68 -2.05 2.35 -1.07 -2.75 115.58 111.87 1sqv h ASN 36 Ca 0.39 -0.68 -0.02 0.00 -0.55 0.00 0.00 56.30 55.44 1sqv h ASN 36 Cb 0.97 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.27 1sqv h ASN 36 CO -0.12 0.79 0.35 1.62 -1.65 0.00 0.00 177.43 178.43 1sqv h VAL 37 N -0.52 1.22 -0.10 2.81 3.04 -1.28 0.11 116.25 121.53 1sqv h VAL 37 Ca -0.01 -0.57 0.03 0.00 -1.01 0.00 0.00 66.70 65.14 1sqv h VAL 37 Cb 0.79 0.36 -0.06 0.00 -2.01 0.00 0.00 31.29 30.36 1sqv h VAL 37 CO 0.02 0.24 -0.48 -0.07 -1.01 0.00 0.00 177.57 176.28 1sqv h LEU 38 N 0.93 -1.50 -1.39 3.16 3.38 -1.60 -0.71 115.31 117.58 1sqv h LEU 38 Ca 0.24 0.18 0.16 0.00 0.09 0.00 0.00 57.88 58.55 1sqv h LEU 38 Cb 0.07 0.59 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 1sqv h LEU 38 CO -0.03 -0.47 0.56 -0.09 0.09 0.00 0.00 178.44 178.50 1sqv h ARG 39 N -0.56 0.56 0.00 1.13 2.43 -1.09 0.50 114.38 117.35 1sqv h ARG 39 Ca 0.05 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.01 1sqv h ARG 39 Cb 0.67 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1sqv h ARG 39 CO -0.40 0.37 -0.83 0.00 -1.51 0.00 0.00 179.97 177.60 1sqv h ARG 40 N 0.58 0.06 0.05 0.20 3.08 -0.34 -0.78 114.38 117.21 1sqv h ARG 40 Ca 0.44 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.42 1sqv h ARG 40 Cb 0.84 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1sqv h ARG 40 CO -0.19 0.86 -0.02 1.15 -1.07 0.00 0.00 179.97 180.70 1sqv h THR 41 N 0.03 0.79 -0.82 2.04 2.02 0.47 -3.05 112.91 114.40 1sqv h THR 41 Ca -0.02 -1.48 0.18 0.00 0.77 0.00 0.00 66.41 65.85 1sqv h THR 41 Cb 1.46 1.47 -0.16 0.00 -1.74 0.00 0.00 68.15 69.18 1sqv h THR 41 CO 0.11 0.26 -0.17 -1.14 0.37 0.00 0.00 175.52 174.95 1sqv n ARG 42 N -4.76 -0.07 -0.11 6.66 0.63 -0.02 -0.05 116.66 118.94 1sqv n ARG 42 Ca -0.05 1.28 0.12 0.00 -0.92 0.00 0.00 57.85 58.28 1sqv n ARG 42 Cb 0.23 -1.93 0.49 0.00 0.45 0.00 0.00 32.46 31.70 1sqv n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1sqv h ALA 43 N 1.65 2.01 0.00 5.13 0.00 -1.16 -3.32 119.26 123.58 1sqv h ALA 43 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1sqv h ALA 43 Cb 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1sqv h ALA 43 CO -0.84 -0.16 -0.77 0.00 0.00 0.00 0.00 179.25 177.48 1sqv h ILE 45 N 0.00 0.25 0.00 0.00 3.07 -0.57 -1.68 117.51 118.58 1sqv h ILE 45 Ca 0.00 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 66.40 1sqv h ILE 45 Cb 0.07 0.22 0.00 0.00 -0.27 0.00 0.00 36.82 36.84 1sqv h ILE 45 CO 0.00 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.28 1sqv n LEU 46 N -5.47 0.00 -0.10 0.16 4.77 -1.26 -0.02 117.00 115.08 1sqv n LEU 46 Ca 0.12 0.41 -0.12 0.00 -0.03 0.00 0.00 56.01 56.39 1sqv n LEU 46 Cb 0.43 -0.41 -0.13 0.00 -2.33 0.00 0.00 43.42 40.97 1sqv n LEU 46 CO -0.00 -0.19 -1.17 0.54 -1.33 0.00 0.00 177.39 175.24 1sqv n ARG 47 N -1.41 0.84 -0.12 3.23 1.74 -0.67 -4.60 116.66 115.66 1sqv n ARG 47 Ca 0.05 0.05 -0.26 0.00 -0.77 0.00 0.00 57.85 56.93 1sqv n ARG 47 Cb 0.16 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.03 1sqv n ARG 47 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1sqv n VAL 48 N -2.89 1.54 -0.01 1.55 0.31 -0.76 -4.70 118.33 113.37 1sqv n VAL 48 Ca -0.35 -0.32 -0.13 0.00 -0.01 0.00 0.00 64.34 63.54 1sqv n VAL 48 Cb 1.03 -1.87 -0.09 0.00 -0.91 0.00 0.00 33.84 32.00 1sqv n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sqv h ALA 49 N -0.68 0.05 -0.91 3.52 0.00 -0.68 -3.36 119.26 117.21 1sqv h ALA 49 Ca -0.57 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 54.32 1sqv h ALA 49 Cb 1.59 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.29 1sqv h ALA 49 CO -0.30 -0.25 0.59 -1.35 0.00 0.00 0.00 179.25 177.95 1sqv h PRO 50 N -0.29 0.53 0.00 0.00 0.11 -1.82 -0.59 132.00 129.95 1sqv h PRO 50 Ca 0.01 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 1sqv h PRO 50 Cb 0.40 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1sqv h PRO 50 CO 0.00 0.35 -0.25 -1.35 -0.21 0.00 0.00 178.00 176.55 1sqv h PRO 51 N 0.55 0.00 0.09 1.05 0.11 -1.85 -0.35 132.00 131.59 1sqv h PRO 51 Ca 0.48 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 66.28 1sqv h PRO 51 Cb 0.98 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1sqv h PRO 51 CO -0.21 0.25 -1.63 0.74 -0.21 0.00 0.00 178.00 176.94 1sqv h PHE 52 N 0.00 0.33 -0.62 0.65 0.04 -1.30 -0.64 116.94 115.39 1sqv h PHE 52 Ca -0.00 -0.24 -0.09 0.00 2.80 0.00 0.00 57.97 60.44 1sqv h PHE 52 Cb 0.61 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.73 1sqv h PHE 52 CO 0.00 1.34 0.04 -0.24 -0.60 0.00 0.00 178.31 178.85 1sqv h VAL 53 N 0.05 1.26 -0.62 -0.55 3.04 -1.45 0.10 116.25 118.09 1sqv h VAL 53 Ca -0.27 -1.11 0.11 0.00 -1.01 0.00 0.00 66.70 64.42 1sqv h VAL 53 Cb 2.00 0.76 -0.08 0.00 -2.01 0.00 0.00 31.29 31.96 1sqv h VAL 53 CO 0.13 0.41 0.18 0.00 -1.01 0.00 0.00 177.57 177.27 1sqv h ALA 54 N 1.01 0.77 -0.26 3.17 0.00 -1.05 -0.10 119.26 122.79 1sqv h ALA 54 Ca 0.18 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1sqv h ALA 54 Cb 0.52 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1sqv h ALA 54 CO 0.02 -0.26 0.13 0.35 0.00 0.00 0.00 179.25 179.49 1sqv h PHE 55 N 0.32 0.37 -0.29 0.00 3.57 -1.08 -2.86 116.94 116.98 1sqv h PHE 55 Ca 0.32 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.87 1sqv h PHE 55 Cb 0.45 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 39.00 1sqv h PHE 55 CO -0.21 0.35 -0.27 -0.92 -2.23 0.00 0.00 178.31 175.02 1sqv h TYR 56 N 0.29 -0.73 -0.32 0.41 5.03 0.45 0.11 116.97 122.22 1sqv h TYR 56 Ca 0.09 0.04 -0.10 0.00 2.58 0.00 0.00 58.73 61.35 1sqv h TYR 56 Cb 0.11 0.36 -0.01 0.00 1.55 0.00 0.00 36.73 38.74 1sqv h TYR 56 CO -0.02 -0.34 -0.21 -0.07 -1.32 0.00 0.00 178.16 176.19 1sqv h LEU 57 N -0.25 0.61 -1.12 2.82 3.38 -1.11 -1.26 115.31 118.39 1sqv h LEU 57 Ca 0.15 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1sqv h LEU 57 Cb 0.49 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1sqv h LEU 57 CO -0.44 0.83 -0.44 0.58 0.09 0.00 0.00 178.44 179.06 1sqv h VAL 58 N 0.54 1.28 -0.03 1.22 2.07 -1.23 -1.54 116.25 118.57 1sqv h VAL 58 Ca 0.08 -1.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.07 1sqv h VAL 58 Cb 0.67 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1sqv h VAL 58 CO 0.05 0.43 -0.08 0.22 0.02 0.00 0.00 177.57 178.21 1sqv h TYR 59 N 0.00 0.14 0.00 1.57 3.20 -0.30 -2.45 116.97 119.14 1sqv h TYR 59 Ca -0.00 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.72 1sqv h TYR 59 Cb 0.79 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1sqv h TYR 59 CO 0.00 0.68 -0.42 1.79 -1.64 0.00 0.00 178.16 178.58 1sqv h THR 60 N -0.44 0.93 -0.02 1.81 1.35 -1.27 -1.93 112.91 113.34 1sqv h THR 60 Ca -0.00 -1.67 -0.01 0.00 -0.55 0.00 0.00 66.41 64.18 1sqv h THR 60 Cb 0.68 2.02 -0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1sqv h THR 60 CO 0.02 0.41 -0.03 -0.25 -0.25 0.00 0.00 175.52 175.42 1sqv h TRP 61 N 0.00 0.06 -0.20 4.73 7.01 -1.40 -2.86 115.95 123.30 1sqv h TRP 61 Ca -0.00 -0.02 -0.06 0.00 2.11 0.00 0.00 58.89 60.91 1sqv h TRP 61 Cb 0.98 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 28.02 1sqv h TRP 61 CO 0.00 0.58 -0.15 0.78 -2.79 0.00 0.00 178.44 176.87 1sqv h GLY 62 N -0.47 0.35 0.84 2.65 0.00 -1.36 0.18 103.07 105.25 1sqv h GLY 62 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1sqv h GLY 62 CO 0.01 0.21 -0.39 -0.84 0.00 0.00 0.00 176.54 175.53 1sqv h THR 63 N 0.30 0.04 -0.44 4.70 2.02 -1.49 -2.01 112.91 116.03 1sqv h THR 63 Ca 0.06 -0.18 0.09 0.00 0.77 0.00 0.00 66.41 67.14 1sqv h THR 63 Cb 0.44 0.04 -0.09 0.00 -1.74 0.00 0.00 68.15 66.80 1sqv h THR 63 CO 0.03 0.00 -0.20 1.56 0.37 0.00 0.00 175.52 177.28 1sqv h GLN 64 N -1.27 -0.10 -0.56 6.66 4.20 -1.23 -2.51 115.11 120.29 1sqv h GLN 64 Ca -0.11 0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.51 1sqv h GLN 64 Cb 0.84 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 1sqv h GLN 64 CO 0.18 -0.07 -0.02 1.49 -0.67 0.00 0.00 178.83 179.75 1sqv h GLU 65 N -0.11 0.97 -0.56 1.46 4.57 -0.76 -3.00 114.58 117.14 1sqv h GLU 65 Ca 0.21 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1sqv h GLU 65 Cb 0.43 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 1sqv h GLU 65 CO -0.51 0.96 0.32 0.35 -1.18 0.00 0.00 179.01 178.96 1sqv h PHE 66 N 0.89 0.76 0.00 0.92 3.57 -0.90 -1.10 116.94 121.08 1sqv h PHE 66 Ca 0.16 -0.01 -0.26 0.00 3.53 0.00 0.00 57.97 61.39 1sqv h PHE 66 Cb 0.54 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 1sqv h PHE 66 CO 0.03 0.54 -1.46 1.05 -2.23 0.00 0.00 178.31 176.24 1sqv h GLU 67 N 0.76 0.00 0.00 1.11 4.11 -1.59 -3.01 114.58 115.96 1sqv h GLU 67 Ca 0.20 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.59 1sqv h GLU 67 Cb 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1sqv h GLU 67 CO -0.03 0.68 -0.16 0.87 0.07 0.00 0.00 179.01 180.44 1sqv h LYS 68 N 0.00 0.00 0.00 1.06 1.57 -1.55 -3.10 116.57 114.55 1sqv h LYS 68 Ca -0.19 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 1sqv h LYS 68 Cb 1.93 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.23 1sqv h LYS 68 CO 0.10 0.16 -0.17 1.03 -0.57 0.00 0.00 179.45 179.99 1sqv h SER 69 N 0.00 0.00 -0.95 0.86 0.87 -1.06 -3.25 113.55 110.02 1sqv h SER 69 Ca -0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 1sqv h SER 69 Cb 0.31 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 62.06 1sqv h SER 69 CO 0.02 0.17 0.64 0.29 -0.53 0.00 0.00 176.83 177.42 1sqv n LYS 70 N -3.37 2.32 -4.00 2.24 5.02 -1.17 -4.88 118.16 114.31 1sqv n LYS 70 Ca -0.00 -2.50 -0.09 0.00 -2.02 0.00 0.00 58.31 53.70 1sqv n LYS 70 Cb 0.38 -2.01 -0.11 0.00 -0.02 0.00 0.00 35.03 33.28 1sqv n LYS 70 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1sqv s ARG 71 N -2.71 0.43 0.50 1.97 0.52 -1.23 -5.08 118.95 113.34 1sqv s ARG 71 Ca 0.50 -0.80 0.04 0.00 -0.52 0.00 0.00 55.73 54.95 1sqv s ARG 71 Cb 0.38 0.15 -0.01 0.00 0.52 0.00 0.00 34.95 35.99 1sqv s ARG 71 CO -0.10 -0.08 0.15 0.21 0.02 0.00 0.00 175.30 175.50 1sqv s LYS 72 N -2.29 2.20 0.18 3.54 2.47 -1.26 -5.11 119.74 119.48 1sqv s LYS 72 Ca -0.08 -2.17 0.00 0.00 -1.56 0.00 0.00 55.97 52.16 1sqv s LYS 72 Cb -0.04 -1.79 0.00 0.00 -1.46 0.00 0.00 37.83 34.54 1sqv s LYS 72 CO -0.04 -0.37 0.00 -1.71 0.16 0.00 0.00 175.35 173.39 1sqv n ASN 73 N -1.39 0.05 -4.91 1.43 2.85 -1.26 -5.12 115.26 106.92 1sqv n ASN 73 Ca -0.10 0.31 -0.32 0.00 -0.11 0.00 0.00 54.58 54.36 1sqv n ASN 73 Cb 0.66 0.19 -0.05 0.00 1.24 0.00 0.00 39.78 41.83 1sqv n ASN 73 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1sqv s PRO 74 N -2.00 3.50 0.00 1.20 0.05 -1.26 -5.38 135.00 131.12 1sqv s PRO 74 Ca 0.00 -0.28 0.00 0.00 0.05 0.00 0.00 61.00 60.77 1sqv s PRO 74 Cb 0.00 -3.02 0.00 0.00 0.05 0.00 0.00 34.50 31.53 1sqv s PRO 74 CO 0.00 0.60 0.00 0.00 0.05 0.00 0.00 177.00 177.65