#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x66 n SER 2 N 0.00 3.00 -4.29 1.61 2.88 -1.26 -5.16 113.62 110.40 1x66 n SER 2 Ca 0.00 -2.62 -0.21 0.00 -1.33 0.00 0.00 58.87 54.71 1x66 n SER 2 Cb 0.00 0.26 -0.11 0.00 -0.75 0.00 0.00 64.21 63.61 1x66 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x66 s SER 3 N -3.03 2.39 1.08 -3.46 0.15 -1.26 -5.04 113.70 104.52 1x66 s SER 3 Ca 0.00 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 55.86 1x66 s SER 3 Cb 0.00 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1x66 s SER 3 CO 0.00 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1x66 n GLY 4 N 0.60 0.54 0.66 9.45 0.00 -1.26 -4.52 105.19 110.66 1x66 n GLY 4 Ca -0.16 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1x66 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x66 n SER 5 N 6.86 0.00 -0.06 1.61 3.41 -1.26 -4.98 113.62 119.19 1x66 n SER 5 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1x66 n SER 5 Cb 0.00 0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 63.93 1x66 n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x66 n SER 6 N -1.83 1.32 0.00 4.04 2.88 -1.26 -5.14 113.62 113.63 1x66 n SER 6 Ca 0.00 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1x66 n SER 6 Cb 0.00 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 1x66 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x66 n GLY 7 N 2.32 2.80 3.69 0.46 0.00 -1.26 -5.01 105.19 108.19 1x66 n GLY 7 Ca -0.25 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 1x66 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x66 s PRO 8 N -2.04 0.74 -0.24 1.61 0.04 -1.26 -4.95 135.00 128.91 1x66 s PRO 8 Ca 0.00 0.64 -0.29 0.00 0.04 0.00 0.00 61.00 61.39 1x66 s PRO 8 Cb 0.00 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 1x66 s PRO 8 CO 0.00 -2.55 1.63 -1.25 0.04 0.00 0.00 177.00 174.87 1x66 s PRO 9 N -4.95 3.73 -0.20 0.56 0.04 -1.26 -4.89 135.00 128.03 1x66 s PRO 9 Ca 0.65 1.60 -0.16 0.00 0.04 0.00 0.00 61.00 63.13 1x66 s PRO 9 Cb -0.18 -4.05 -0.10 0.00 0.04 0.00 0.00 34.50 30.20 1x66 s PRO 9 CO 0.57 -1.37 -0.16 0.09 0.04 0.00 0.00 177.00 176.18 1x66 n ASN 10 N 8.67 1.89 -4.77 6.66 4.13 -1.26 -4.95 115.26 125.63 1x66 n ASN 10 Ca 0.19 0.44 -0.39 0.00 1.68 0.00 0.00 54.58 56.50 1x66 n ASN 10 Cb 0.45 -0.85 -0.01 0.00 -1.54 0.00 0.00 39.78 37.83 1x66 n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x66 s MET 11 N -2.49 4.03 -0.28 3.52 0.23 -1.26 -5.00 119.30 118.05 1x66 s MET 11 Ca -0.27 2.08 -0.10 0.00 -1.03 0.00 0.00 55.69 56.37 1x66 s MET 11 Cb 0.06 -2.78 -0.04 0.00 -1.53 0.00 0.00 34.83 30.55 1x66 s MET 11 CO 0.43 -0.41 0.17 0.95 -2.03 0.00 0.00 175.02 174.12 1x66 s THR 12 N -1.28 5.03 -0.17 3.16 -4.23 -1.26 -5.05 115.64 111.84 1x66 s THR 12 Ca 0.56 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 61.02 1x66 s THR 12 Cb -0.36 -3.43 0.08 0.00 1.34 0.00 0.00 72.50 70.13 1x66 s THR 12 CO 0.47 0.22 0.33 -0.89 -0.54 0.00 0.00 174.62 174.21 1x66 s THR 13 N 1.71 -0.51 0.04 3.99 2.01 -1.26 -5.06 115.64 116.56 1x66 s THR 13 Ca 0.07 0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 1x66 s THR 13 Cb -0.16 -0.57 -0.18 0.00 0.01 0.00 0.00 72.50 71.60 1x66 s THR 13 CO 0.09 0.06 1.39 0.78 -0.69 0.00 0.00 174.62 176.25 1x66 h ASN 14 N 8.24 -0.76 -3.98 3.53 4.21 -2.03 -3.44 115.58 121.35 1x66 h ASN 14 Ca -0.15 -0.01 -0.69 0.00 1.21 0.00 0.00 56.30 56.66 1x66 h ASN 14 Cb 1.12 0.20 -0.23 0.00 -1.12 0.00 0.00 38.32 38.29 1x66 h ASN 14 CO 0.15 -0.45 -0.86 -1.61 -1.29 0.00 0.00 177.43 173.37 1x66 s GLU 15 N -5.38 1.57 -0.39 0.81 2.02 -1.26 -4.87 118.70 111.19 1x66 s GLU 15 Ca -0.16 -1.26 -0.20 0.00 0.02 0.00 0.00 54.97 53.37 1x66 s GLU 15 Cb 0.02 -1.96 0.03 0.00 0.10 0.00 0.00 34.13 32.32 1x66 s GLU 15 CO 0.54 0.47 0.51 0.54 0.02 0.00 0.00 175.26 177.35 1x66 n ARG 16 N 1.12 -2.24 -3.85 1.61 3.00 -1.26 -4.97 116.66 110.06 1x66 n ARG 16 Ca -0.17 1.91 -0.36 0.00 -0.01 0.00 0.00 57.85 59.21 1x66 n ARG 16 Cb 0.53 -4.25 -0.13 0.00 0.00 0.00 0.00 32.46 28.60 1x66 n ARG 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1x66 s ARG 17 N -2.35 2.88 0.39 5.56 3.52 -1.26 -4.99 118.95 122.71 1x66 s ARG 17 Ca 0.25 -0.97 -0.25 0.00 -0.13 0.00 0.00 55.73 54.62 1x66 s ARG 17 Cb -0.05 -3.21 -0.09 0.00 -1.56 0.00 0.00 34.95 30.04 1x66 s ARG 17 CO 0.76 -0.46 1.14 0.08 -0.81 0.00 0.00 175.30 176.00 1x66 s VAL 18 N 1.40 3.30 -0.65 7.11 1.01 -1.26 -5.01 120.40 126.30 1x66 s VAL 18 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1x66 s VAL 18 Cb -0.17 -3.60 0.16 0.00 0.00 0.00 0.00 36.38 32.77 1x66 s VAL 18 CO -0.00 0.09 0.45 -0.63 0.00 0.00 0.00 175.10 175.01 1x66 s ILE 19 N -1.45 3.37 0.17 2.22 1.01 -1.26 -5.03 121.20 120.23 1x66 s ILE 19 Ca 0.56 -3.42 0.11 0.00 0.00 0.00 0.00 60.65 57.90 1x66 s ILE 19 Cb -0.29 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 1x66 s ILE 19 CO 0.36 -0.91 -0.24 0.68 0.00 0.00 0.00 174.94 174.83 1x66 s VAL 20 N -0.56 2.40 0.73 2.92 -7.23 -1.26 -5.12 120.40 112.27 1x66 s VAL 20 Ca 0.20 -1.90 -0.12 0.00 -1.81 0.00 0.00 61.98 58.35 1x66 s VAL 20 Cb -0.17 -2.12 0.03 0.00 0.56 0.00 0.00 36.38 34.68 1x66 s VAL 20 CO -0.06 -0.04 1.10 -2.16 -0.31 0.00 0.00 175.10 173.63 1x66 s PRO 21 N -2.46 2.48 0.02 4.82 0.04 -1.26 -4.99 135.00 133.65 1x66 s PRO 21 Ca 0.19 1.26 -0.09 0.00 0.04 0.00 0.00 61.00 62.40 1x66 s PRO 21 Cb -0.09 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1x66 s PRO 21 CO 0.09 -1.48 1.14 0.00 0.04 0.00 0.00 177.00 176.79 1x66 h ALA 22 N -0.64 -0.84 -1.15 8.56 0.00 -1.94 -3.40 119.26 119.85 1x66 h ALA 22 Ca -0.45 -0.05 -0.66 0.00 0.00 0.00 0.00 54.91 53.76 1x66 h ALA 22 Cb 1.24 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1x66 h ALA 22 CO 0.52 -0.85 1.44 -0.25 0.00 0.00 0.00 179.25 180.11 1x66 n ASP 23 N -3.12 2.18 0.00 0.00 8.00 -1.26 -4.75 116.55 117.60 1x66 n ASP 23 Ca -0.03 0.36 0.07 0.00 0.71 0.00 0.00 54.79 55.90 1x66 n ASP 23 Cb 0.12 -1.29 0.33 0.00 -0.02 0.00 0.00 41.12 40.26 1x66 n ASP 23 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1x66 n PRO 24 N 8.28 0.07 0.13 -0.24 -0.04 -1.26 -2.32 135.00 139.62 1x66 n PRO 24 Ca 0.41 0.22 0.04 0.00 -0.04 0.00 0.00 63.50 64.13 1x66 n PRO 24 Cb 0.25 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.24 1x66 n PRO 24 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1x66 h THR 25 N 0.00 0.63 -0.01 0.52 1.35 -1.87 -3.20 112.91 110.34 1x66 h THR 25 Ca 0.00 -1.94 0.00 0.00 -0.55 0.00 0.00 66.41 63.92 1x66 h THR 25 Cb 0.21 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1x66 h THR 25 CO 0.00 0.36 -0.04 0.18 -0.25 0.00 0.00 175.52 175.77 1x66 n LEU 26 N -3.12 1.06 -4.71 3.87 4.77 -0.98 -3.73 117.00 114.17 1x66 n LEU 26 Ca 0.00 -0.33 -0.42 0.00 -0.03 0.00 0.00 56.01 55.23 1x66 n LEU 26 Cb 0.71 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.74 1x66 n LEU 26 CO 0.40 0.18 1.20 0.26 -1.33 0.00 0.00 177.39 178.10 1x66 s TRP 27 N -2.11 3.00 1.01 -1.77 0.51 -1.21 -4.92 118.94 113.46 1x66 s TRP 27 Ca 0.37 0.66 -0.17 0.00 -2.12 0.00 0.00 56.10 54.84 1x66 s TRP 27 Cb 0.21 -3.87 0.22 0.00 -0.81 0.00 0.00 33.47 29.21 1x66 s TRP 27 CO 0.38 -3.23 1.28 0.95 -0.51 0.00 0.00 176.95 175.81 1x66 s THR 28 N 1.39 1.91 0.29 2.01 -4.23 -1.26 -0.06 115.64 115.69 1x66 s THR 28 Ca 0.69 0.00 0.35 0.00 -1.18 0.00 0.00 61.69 61.56 1x66 s THR 28 Cb -0.41 -2.89 0.36 0.00 1.34 0.00 0.00 72.50 70.89 1x66 s THR 28 CO 0.31 0.00 2.08 -0.61 -0.54 0.00 0.00 174.62 175.86 1x66 h GLN 29 N -1.83 0.00 0.07 3.99 4.15 -1.94 -2.14 115.11 117.41 1x66 h GLN 29 Ca -0.45 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 58.60 1x66 h GLN 29 Cb 1.25 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.90 1x66 h GLN 29 CO 0.38 0.00 -2.19 -1.91 -1.93 0.00 0.00 178.83 173.18 1x66 n GLU 30 N -2.77 0.71 0.10 1.69 4.07 -1.26 -4.19 120.64 118.99 1x66 n GLU 30 Ca -0.02 0.21 -0.12 0.00 -0.06 0.00 0.00 57.16 57.17 1x66 n GLU 30 Cb 0.08 -1.63 -0.06 0.00 -0.06 0.00 0.00 31.44 29.77 1x66 n GLU 30 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1x66 h HIS 31 N 0.04 -0.44 -0.96 4.31 3.86 -1.73 -1.35 115.15 118.87 1x66 h HIS 31 Ca -0.48 0.01 0.25 0.00 -1.16 0.00 0.00 60.37 58.98 1x66 h HIS 31 Cb 1.99 0.18 -0.06 0.00 1.06 0.00 0.00 27.41 30.58 1x66 h HIS 31 CO 0.05 -0.25 0.65 0.28 0.86 0.00 0.00 177.93 179.52 1x66 h VAL 32 N -0.33 0.58 0.33 2.45 2.07 -1.67 -0.10 116.25 119.59 1x66 h VAL 32 Ca 0.03 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1x66 h VAL 32 Cb 0.35 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1x66 h VAL 32 CO -0.10 0.05 -0.16 0.03 0.02 0.00 0.00 177.57 177.41 1x66 h ARG 33 N 0.26 -0.43 -0.60 1.57 3.08 -1.48 -2.92 114.38 113.86 1x66 h ARG 33 Ca 0.50 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.69 1x66 h ARG 33 Cb 1.49 0.10 -0.09 0.00 0.08 0.00 0.00 29.97 31.54 1x66 h ARG 33 CO -0.14 -0.19 0.07 1.96 -1.07 0.00 0.00 179.97 180.60 1x66 h GLN 34 N -1.06 0.18 -0.99 0.04 4.20 -0.59 0.36 115.11 117.26 1x66 h GLN 34 Ca -0.05 -0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.77 1x66 h GLN 34 Cb 0.44 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.10 1x66 h GLN 34 CO 0.08 0.12 0.63 2.35 -0.67 0.00 0.00 178.83 181.33 1x66 h TRP 35 N 0.19 1.11 0.72 2.96 7.01 -1.13 -0.70 115.95 126.10 1x66 h TRP 35 Ca 0.32 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.31 1x66 h TRP 35 Cb 0.49 -0.36 0.01 0.00 -2.10 0.00 0.00 29.16 27.20 1x66 h TRP 35 CO -0.30 0.46 -0.34 1.25 -2.79 0.00 0.00 178.44 176.72 1x66 h LEU 36 N 0.99 -0.81 -2.00 0.65 5.85 -0.74 -0.98 115.31 118.27 1x66 h LEU 36 Ca 0.48 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.40 1x66 h LEU 36 Cb 0.46 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1x66 h LEU 36 CO -0.24 -0.56 0.47 -0.33 -0.34 0.00 0.00 178.44 177.44 1x66 h GLU 37 N -1.01 0.00 0.42 1.25 5.08 -1.20 -1.78 114.58 117.34 1x66 h GLU 37 Ca -0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1x66 h GLU 37 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1x66 h GLU 37 CO 0.16 0.00 -0.20 2.35 -1.00 0.00 0.00 179.01 180.32 1x66 h TRP 38 N 0.00 -0.53 -0.85 4.33 7.01 -0.81 -2.32 115.95 122.78 1x66 h TRP 38 Ca 0.28 -0.01 0.25 0.00 2.11 0.00 0.00 58.89 61.51 1x66 h TRP 38 Cb 1.21 0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 28.41 1x66 h TRP 38 CO 0.00 -0.33 0.61 0.00 -2.79 0.00 0.00 178.44 175.94 1x66 h ALA 39 N -1.36 2.80 -0.07 2.65 0.00 -0.69 0.30 119.26 122.89 1x66 h ALA 39 Ca -0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1x66 h ALA 39 Cb 0.43 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1x66 h ALA 39 CO 0.10 -1.05 -0.08 0.82 0.00 0.00 0.00 179.25 179.03 1x66 h ILE 40 N 0.00 1.38 0.00 0.00 2.04 -1.32 0.25 117.51 119.86 1x66 h ILE 40 Ca 0.40 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1x66 h ILE 40 Cb 1.63 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 1x66 h ILE 40 CO -0.00 0.35 0.00 0.07 0.00 0.00 0.00 178.15 178.57 1x66 h LYS 41 N -0.27 0.00 0.00 2.37 2.10 -0.49 0.36 116.57 120.63 1x66 h LYS 41 Ca 0.01 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.50 1x66 h LYS 41 Cb 0.60 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.91 1x66 h LYS 41 CO 0.02 0.00 -0.93 1.49 -2.00 0.00 0.00 179.45 178.03 1x66 h GLU 42 N 0.00 0.00 -0.42 0.07 4.57 -0.42 -3.37 114.58 115.02 1x66 h GLU 42 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1x66 h GLU 42 Cb 0.67 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1x66 h GLU 42 CO 0.00 0.82 0.00 0.66 -1.18 0.00 0.00 179.01 179.31 1x66 n TYR 43 N -4.50 0.55 -3.33 0.92 4.01 0.86 -4.97 117.16 110.70 1x66 n TYR 43 Ca -0.24 -0.28 -0.12 0.00 -0.16 0.00 0.00 57.90 57.10 1x66 n TYR 43 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 1x66 n TYR 43 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1x66 n SER 44 N 0.86 -6.60 -4.82 7.72 7.64 0.83 -4.99 113.62 114.26 1x66 n SER 44 Ca 0.16 -0.34 -0.28 0.00 1.01 0.00 0.00 58.87 59.42 1x66 n SER 44 Cb 0.41 -3.76 -0.05 0.00 -1.01 0.00 0.00 64.21 59.80 1x66 n SER 44 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x66 s LEU 45 N -4.10 3.94 0.19 -3.43 1.43 0.88 -5.01 118.68 112.58 1x66 s LEU 45 Ca 0.05 0.00 -0.05 0.00 -1.03 0.00 0.00 54.13 53.10 1x66 s LEU 45 Cb -0.01 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 1x66 s LEU 45 CO 0.81 0.12 0.23 -0.04 0.23 0.00 0.00 176.35 177.70 1x66 s MET 46 N -2.80 1.21 -1.51 1.70 -1.94 -1.26 -4.83 119.30 109.87 1x66 s MET 46 Ca 0.31 -1.40 0.00 0.00 -1.71 0.00 0.00 55.69 52.89 1x66 s MET 46 Cb -0.11 0.33 0.00 0.00 2.01 0.00 0.00 34.83 37.06 1x66 s MET 46 CO 0.24 -0.43 0.00 0.39 -0.01 0.00 0.00 175.02 175.21 1x66 n GLU 47 N -0.25 -1.37 -4.00 2.03 1.02 -1.26 -4.68 120.64 112.13 1x66 n GLU 47 Ca -0.03 0.86 -0.36 0.00 -0.02 0.00 0.00 57.16 57.61 1x66 n GLU 47 Cb 0.64 -5.31 -0.07 0.00 -0.02 0.00 0.00 31.44 26.68 1x66 n GLU 47 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1x66 s ILE 48 N -2.85 5.20 -0.86 -3.67 2.07 -1.26 -3.79 121.20 116.04 1x66 s ILE 48 Ca 0.00 0.05 -0.14 0.00 -1.41 0.00 0.00 60.65 59.16 1x66 s ILE 48 Cb 0.00 -3.26 0.22 0.00 0.13 0.00 0.00 42.46 39.55 1x66 s ILE 48 CO 0.00 0.59 0.81 -0.62 -1.91 0.00 0.00 174.94 173.80 1x66 s ASP 49 N -1.09 6.82 0.44 4.50 -1.08 0.86 -4.88 116.67 122.24 1x66 s ASP 49 Ca 0.16 -2.77 0.14 0.00 -0.52 0.00 0.00 52.55 49.55 1x66 s ASP 49 Cb -0.12 -2.21 0.96 0.00 -1.46 0.00 0.00 42.92 40.09 1x66 s ASP 49 CO 0.05 -0.55 1.97 0.71 0.52 0.00 0.00 175.17 177.87 1x66 h THR 50 N 4.69 1.14 -0.32 1.71 1.35 -1.97 -2.20 112.91 117.31 1x66 h THR 50 Ca 0.12 -0.68 0.09 0.00 -0.55 0.00 0.00 66.41 65.39 1x66 h THR 50 Cb 1.02 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.78 1x66 h THR 50 CO 0.78 0.20 0.27 -1.28 -0.25 0.00 0.00 175.52 175.24 1x66 h SER 51 N 0.03 0.00 0.57 5.36 0.87 -1.97 0.23 113.55 118.63 1x66 h SER 51 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 1x66 h SER 51 Cb 0.35 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1x66 h SER 51 CO 0.02 0.00 -0.17 0.15 -0.53 0.00 0.00 176.83 176.30 1x66 h PHE 52 N 0.00 0.00 -0.24 2.24 3.04 -1.79 -2.56 116.94 117.64 1x66 h PHE 52 Ca 0.15 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.04 1x66 h PHE 52 Cb 0.70 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.17 1x66 h PHE 52 CO 0.00 0.17 -0.04 1.19 -2.02 0.00 0.00 178.31 177.61 1x66 n PHE 53 N -3.56 0.80 0.08 0.41 3.01 0.76 -4.63 117.46 114.32 1x66 n PHE 53 Ca -0.01 -1.16 -0.01 0.00 1.01 0.00 0.00 57.45 57.28 1x66 n PHE 53 Cb 0.32 -0.34 0.28 0.00 -0.01 0.00 0.00 39.48 39.72 1x66 n PHE 53 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1x66 h GLN 54 N 1.20 0.30 -0.28 -1.08 3.07 -1.01 -3.25 115.11 114.07 1x66 h GLN 54 Ca 0.07 -0.11 -0.24 0.00 0.09 0.00 0.00 58.65 58.47 1x66 h GLN 54 Cb 1.43 -0.02 -0.33 0.00 0.08 0.00 0.00 27.48 28.63 1x66 h GLN 54 CO 0.23 0.55 -0.93 0.27 0.09 0.00 0.00 178.83 179.05 1x66 n ASN 55 N -4.14 2.05 -4.34 0.06 0.23 -1.26 -4.85 115.26 103.01 1x66 n ASN 55 Ca -0.01 -2.68 -0.45 0.00 -0.53 0.00 0.00 54.58 50.91 1x66 n ASN 55 Cb 0.39 -0.41 -0.05 0.00 -2.08 0.00 0.00 39.78 37.63 1x66 n ASN 55 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1x66 s MET 56 N -2.48 3.01 0.67 -3.83 1.75 -1.23 -5.00 119.30 112.19 1x66 s MET 56 Ca 0.36 -1.55 -0.17 0.00 -1.25 0.00 0.00 55.69 53.07 1x66 s MET 56 Cb 0.37 -4.28 -0.00 0.00 2.84 0.00 0.00 34.83 33.76 1x66 s MET 56 CO -0.07 -1.40 1.27 -0.40 -0.65 0.00 0.00 175.02 173.77 1x66 n ASP 57 N 5.66 1.91 -0.39 1.11 5.68 -1.26 -4.61 116.55 124.64 1x66 n ASP 57 Ca -0.12 0.80 0.32 0.00 -0.50 0.00 0.00 54.79 55.29 1x66 n ASP 57 Cb 0.41 -1.55 0.63 0.00 -1.14 0.00 0.00 41.12 39.47 1x66 n ASP 57 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1x66 h GLY 58 N 0.36 0.94 0.93 6.12 0.00 -0.62 0.42 103.07 111.21 1x66 h GLY 58 Ca -0.50 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 46.65 1x66 h GLY 58 CO 0.52 -0.20 0.03 0.50 0.00 0.00 0.00 176.54 177.39 1x66 h LYS 59 N 0.18 0.66 0.00 4.80 1.79 -1.76 -0.83 116.57 121.41 1x66 h LYS 59 Ca 0.70 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.97 1x66 h LYS 59 Cb 2.20 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.78 1x66 h LYS 59 CO -0.27 0.74 0.00 0.39 -1.08 0.00 0.00 179.45 179.23 1x66 n GLU 60 N -4.50 0.07 -0.00 3.15 -0.58 0.12 -2.84 120.64 116.07 1x66 n GLU 60 Ca -0.01 0.10 -0.13 0.00 -0.42 0.00 0.00 57.16 56.70 1x66 n GLU 60 Cb 0.26 -1.59 -0.14 0.00 -0.57 0.00 0.00 31.44 29.40 1x66 n GLU 60 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1x66 h LEU 61 N 0.00 0.17 0.00 -4.62 5.85 -0.48 -3.18 115.31 113.05 1x66 h LEU 61 Ca 0.00 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1x66 h LEU 61 Cb 0.51 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1x66 h LEU 61 CO 0.00 1.31 -0.10 0.00 -0.34 0.00 0.00 178.44 179.31 1x66 h LYS 63 N 0.00 0.00 -6.68 0.00 2.10 -1.64 -3.47 116.57 106.88 1x66 h LYS 63 Ca 0.00 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.08 1x66 h LYS 63 Cb 0.78 0.00 0.17 0.00 -0.90 0.00 0.00 32.23 32.29 1x66 h LYS 63 CO 0.00 0.51 -0.19 -1.33 -2.00 0.00 0.00 179.45 176.44 1x66 n MET 64 N -3.05 0.58 -4.75 0.07 2.81 -1.20 -5.02 117.12 106.55 1x66 n MET 64 Ca -0.14 0.23 -0.33 0.00 -1.81 0.00 0.00 57.70 55.66 1x66 n MET 64 Cb 1.01 -1.91 -0.08 0.00 -0.71 0.00 0.00 33.22 31.53 1x66 n MET 64 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1x66 s ASN 65 N -1.30 4.08 0.30 7.83 0.01 -1.26 -4.96 114.94 119.64 1x66 s ASN 65 Ca 0.71 -1.65 0.05 0.00 -0.71 0.00 0.00 52.86 51.25 1x66 s ASN 65 Cb -0.41 0.51 0.70 0.00 0.41 0.00 0.00 41.25 42.46 1x66 s ASN 65 CO 0.52 -0.85 1.79 0.50 -1.51 0.00 0.00 177.10 177.55 1x66 h LYS 66 N 1.37 0.78 0.61 -0.60 1.63 -1.95 0.24 116.57 118.65 1x66 h LYS 66 Ca -0.44 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.29 1x66 h LYS 66 Cb 1.31 -0.17 0.01 0.00 -0.60 0.00 0.00 32.23 32.77 1x66 h LYS 66 CO 0.74 0.51 -0.29 0.93 -3.45 0.00 0.00 179.45 177.89 1x66 h GLU 67 N 0.80 -0.79 -0.32 1.90 4.39 -1.98 0.24 114.58 118.83 1x66 h GLU 67 Ca 0.56 0.05 0.09 0.00 0.34 0.00 0.00 59.36 60.40 1x66 h GLU 67 Cb 0.82 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 1x66 h GLU 67 CO -0.36 -0.48 0.23 -0.44 -1.16 0.00 0.00 179.01 176.80 1x66 h ASP 68 N -1.08 0.02 0.66 1.42 5.19 -1.82 -0.67 116.42 120.14 1x66 h ASP 68 Ca -0.08 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.07 1x66 h ASP 68 Cb 0.68 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.18 1x66 h ASP 68 CO 0.14 0.01 -1.17 -0.26 -3.12 0.00 0.00 179.24 174.83 1x66 h PHE 69 N 0.02 0.43 0.00 4.55 0.04 -0.39 -3.20 116.94 118.39 1x66 h PHE 69 Ca 0.15 -0.30 0.00 0.00 2.80 0.00 0.00 57.97 60.62 1x66 h PHE 69 Cb 0.58 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.71 1x66 h PHE 69 CO -0.00 1.22 0.00 -0.07 -0.60 0.00 0.00 178.31 178.86 1x66 h LEU 70 N 0.08 0.00 -0.31 1.54 3.38 0.10 0.24 115.31 120.34 1x66 h LEU 70 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1x66 h LEU 70 Cb 1.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.65 1x66 h LEU 70 CO 0.19 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.26 1x66 n ARG 71 N -2.77 1.21 0.00 1.13 1.74 -0.87 -4.06 116.66 113.03 1x66 n ARG 71 Ca 0.01 -0.30 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 1x66 n ARG 71 Cb 0.25 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1x66 n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x66 n ALA 72 N -0.57 1.96 -2.44 7.54 0.00 -0.74 -5.04 120.51 121.24 1x66 n ALA 72 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.40 1x66 n ALA 72 Cb 0.17 0.16 -0.11 0.00 0.00 0.00 0.00 19.45 19.67 1x66 n ALA 72 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1x66 s THR 73 N -1.33 2.04 1.02 0.00 -1.32 0.77 -0.10 115.64 116.72 1x66 s THR 73 Ca 0.00 -2.05 -0.12 0.00 -1.21 0.00 0.00 61.69 58.32 1x66 s THR 73 Cb 0.00 -2.00 0.20 0.00 -1.51 0.00 0.00 72.50 69.19 1x66 s THR 73 CO 0.00 -0.31 1.08 0.28 -2.21 0.00 0.00 174.62 173.47 1x66 s THR 74 N -2.11 2.19 0.10 5.08 -1.32 -1.25 -4.02 115.64 114.31 1x66 s THR 74 Ca 0.20 0.06 -0.24 0.00 -1.21 0.00 0.00 61.69 60.50 1x66 s THR 74 Cb -0.06 -2.20 -0.10 0.00 -1.51 0.00 0.00 72.50 68.63 1x66 s THR 74 CO 0.09 -0.08 1.69 0.25 -2.21 0.00 0.00 174.62 174.36 1x66 h LEU 75 N -2.13 -0.31 -0.43 9.08 5.85 -1.94 0.13 115.31 125.56 1x66 h LEU 75 Ca -0.53 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.32 1x66 h LEU 75 Cb 1.30 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 42.36 1x66 h LEU 75 CO 0.48 -0.16 -0.21 0.22 -0.34 0.00 0.00 178.44 178.43 1x66 h TYR 76 N -0.21 -0.53 -0.44 1.25 5.03 -1.99 0.09 116.97 120.16 1x66 h TYR 76 Ca 0.03 0.05 -0.07 0.00 2.58 0.00 0.00 58.73 61.31 1x66 h TYR 76 Cb 0.24 0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.80 1x66 h TYR 76 CO -0.15 -0.29 -0.01 -0.91 -1.32 0.00 0.00 178.16 175.48 1x66 h ASN 77 N -0.12 0.70 -0.95 -2.11 2.35 -1.86 -2.77 115.58 110.81 1x66 h ASN 77 Ca 0.21 -0.16 0.06 0.00 -0.55 0.00 0.00 56.30 55.86 1x66 h ASN 77 Cb 0.45 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.57 1x66 h ASN 77 CO -0.51 0.77 0.61 0.74 -1.65 0.00 0.00 177.43 177.39 1x66 h THR 78 N 0.68 1.07 -0.50 2.81 2.02 0.12 -0.92 112.91 118.19 1x66 h THR 78 Ca 0.13 -0.38 -0.10 0.00 0.77 0.00 0.00 66.41 66.84 1x66 h THR 78 Cb 0.44 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 1x66 h THR 78 CO 0.02 0.20 -0.07 -0.33 0.37 0.00 0.00 175.52 175.71 1x66 h GLU 79 N 1.11 0.89 0.42 6.66 5.08 -0.96 -1.50 114.58 126.28 1x66 h GLU 79 Ca 0.41 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1x66 h GLU 79 Cb 0.16 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1x66 h GLU 79 CO -0.17 0.93 -0.20 0.28 -1.00 0.00 0.00 179.01 178.84 1x66 h VAL 80 N 0.80 0.53 0.28 3.13 2.07 -1.18 -0.26 116.25 121.63 1x66 h VAL 80 Ca 0.14 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1x66 h VAL 80 Cb 0.58 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1x66 h VAL 80 CO 0.04 0.07 -0.31 -0.07 0.02 0.00 0.00 177.57 177.32 1x66 h LEU 81 N -0.83 -0.83 -0.48 2.57 3.38 -1.22 0.25 115.31 118.16 1x66 h LEU 81 Ca -0.06 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1x66 h LEU 81 Cb 0.55 0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 1x66 h LEU 81 CO 0.10 -0.43 0.11 -0.07 0.09 0.00 0.00 178.44 178.23 1x66 h LEU 82 N -0.63 0.03 -0.40 1.67 -0.00 -1.34 0.18 115.31 114.83 1x66 h LEU 82 Ca -0.01 0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.95 1x66 h LEU 82 Cb 0.58 0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 41.33 1x66 h LEU 82 CO -0.08 0.05 0.23 -1.28 -0.00 0.00 0.00 178.44 177.36 1x66 h SER 83 N 0.25 0.49 0.73 -0.43 0.87 -0.71 0.13 113.55 114.88 1x66 h SER 83 Ca 0.24 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 1x66 h SER 83 Cb 0.30 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1x66 h SER 83 CO -0.30 0.42 -0.35 -0.74 -0.53 0.00 0.00 176.83 175.33 1x66 h HIS 84 N 0.52 -0.91 -0.42 2.24 -0.00 0.22 -2.83 115.15 113.96 1x66 h HIS 84 Ca 0.14 -0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.56 1x66 h HIS 84 Cb 0.03 0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 27.72 1x66 h HIS 84 CO -0.03 -0.55 0.29 1.25 -0.00 0.00 0.00 177.93 178.89 1x66 h LEU 85 N -1.07 0.25 -1.95 0.26 5.85 -0.63 -1.02 115.31 117.00 1x66 h LEU 85 Ca -0.10 0.00 0.24 0.00 0.84 0.00 0.00 57.88 58.86 1x66 h LEU 85 Cb 0.77 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 1x66 h LEU 85 CO 0.17 0.16 0.61 0.28 -0.34 0.00 0.00 178.44 179.32 1x66 h SER 86 N 0.29 0.04 0.00 1.25 0.02 -0.47 0.23 113.55 114.90 1x66 h SER 86 Ca 0.19 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.93 1x66 h SER 86 Cb 0.38 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1x66 h SER 86 CO -0.04 0.01 -1.17 0.22 -1.14 0.00 0.00 176.83 174.71 1x66 h TYR 87 N 0.04 0.00 -1.00 3.45 3.20 -1.21 -3.32 116.97 118.13 1x66 h TYR 87 Ca 0.41 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.42 1x66 h TYR 87 Cb 1.58 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 39.76 1x66 h TYR 87 CO -0.00 1.45 0.63 -0.07 -1.64 0.00 0.00 178.16 178.53 1x66 h LEU 88 N -1.00 0.88 -1.42 2.82 4.07 -1.16 0.14 115.31 119.64 1x66 h LEU 88 Ca -0.32 0.06 -0.04 0.00 0.08 0.00 0.00 57.88 57.65 1x66 h LEU 88 Cb 1.28 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.89 1x66 h LEU 88 CO -0.20 0.43 -0.08 0.03 -1.08 0.00 0.00 178.44 177.55 1x66 h ARG 89 N 0.93 0.28 -0.62 1.13 3.08 -0.74 -2.23 114.38 116.21 1x66 h ARG 89 Ca 0.52 -0.06 -0.25 0.00 0.07 0.00 0.00 59.98 60.26 1x66 h ARG 89 Cb 0.60 -0.04 -0.15 0.00 0.08 0.00 0.00 29.97 30.46 1x66 h ARG 89 CO -0.29 0.38 0.22 0.39 -1.07 0.00 0.00 179.97 179.60 1x66 n GLU 90 N -4.30 2.66 -0.04 0.04 -0.58 0.32 -4.20 120.64 114.53 1x66 n GLU 90 Ca -0.00 -3.07 -0.22 0.00 -0.42 0.00 0.00 57.16 53.45 1x66 n GLU 90 Cb 0.24 -2.03 -0.13 0.00 -0.57 0.00 0.00 31.44 28.95 1x66 n GLU 90 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x66 n SER 91 N -0.76 2.04 -0.08 1.62 2.88 -0.17 -4.75 113.62 114.40 1x66 n SER 91 Ca 0.41 0.24 -0.12 0.00 -1.33 0.00 0.00 58.87 58.06 1x66 n SER 91 Cb 1.29 -0.85 -0.04 0.00 -0.75 0.00 0.00 64.21 63.85 1x66 n SER 91 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x66 n SER 92 N -3.74 1.80 -4.85 -3.46 7.64 -1.26 -5.01 113.62 104.74 1x66 n SER 92 Ca -0.34 0.30 -0.32 0.00 1.01 0.00 0.00 58.87 59.52 1x66 n SER 92 Cb 0.94 -0.69 -0.01 0.00 -1.01 0.00 0.00 64.21 63.44 1x66 n SER 92 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x66 s SER 93 N -6.23 6.37 -0.46 6.43 0.01 -1.26 -5.04 113.70 113.52 1x66 s SER 93 Ca -0.27 1.52 0.04 0.00 1.31 0.00 0.00 55.95 58.54 1x66 s SER 93 Cb 0.06 -2.49 0.24 0.00 0.21 0.00 0.00 66.02 64.04 1x66 s SER 93 CO 0.39 -0.77 0.96 0.61 0.41 0.00 0.00 173.24 174.84 1x66 n GLY 94 N -2.08 -0.43 3.68 3.44 0.00 -1.26 -4.50 105.19 104.04 1x66 n GLY 94 Ca 0.06 0.38 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 1x66 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x66 s PRO 95 N 0.59 4.25 0.39 1.61 0.04 -1.26 -5.01 135.00 135.62 1x66 s PRO 95 Ca 0.30 2.02 -0.21 0.00 0.04 0.00 0.00 61.00 63.16 1x66 s PRO 95 Cb 0.21 -3.68 -0.10 0.00 0.04 0.00 0.00 34.50 30.96 1x66 s PRO 95 CO -0.20 -0.66 0.91 0.45 0.04 0.00 0.00 177.00 177.54 1x66 s SER 96 N 2.26 6.97 0.80 6.66 0.15 -1.26 -5.07 113.70 124.21 1x66 s SER 96 Ca 0.66 1.64 -0.09 0.00 0.70 0.00 0.00 55.95 58.86 1x66 s SER 96 Cb -0.32 -2.52 0.12 0.00 -1.71 0.00 0.00 66.02 61.60 1x66 s SER 96 CO 0.26 -0.28 1.12 -0.44 1.20 0.00 0.00 173.24 175.10 1x66 s SER 97 N -2.10 4.15 0.00 5.45 0.01 -1.26 -5.36 113.70 114.59 1x66 s SER 97 Ca 0.59 0.24 0.00 0.00 1.31 0.00 0.00 55.95 58.09 1x66 s SER 97 Cb -0.11 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.49 1x66 s SER 97 CO 0.15 -2.04 0.00 0.61 0.41 0.00 0.00 173.24 172.38