#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 0.95 -2.28 1.61 2.88 -1.26 -4.73 113.62 110.78 1x66 n SER 2 Ca 0.00 0.15 -0.32 0.00 -1.33 0.00 0.00 58.87 57.37 1x66 n SER 2 Cb 0.00 -0.44 0.11 0.00 -0.75 0.00 0.00 64.21 63.12 1x66 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x66 n SER 3 N -3.42 6.57 0.00 -3.46 7.64 -1.26 -4.61 113.62 115.08 1x66 n SER 3 Ca -0.05 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.09 1x66 n SER 3 Cb 0.17 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1x66 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x66 n GLY 4 N -0.98 -0.20 3.13 0.23 0.00 -1.26 -5.07 105.19 101.05 1x66 n GLY 4 Ca 0.61 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.67 1x66 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x66 s SER 5 N -3.22 -1.19 -0.22 1.61 0.01 -1.26 -4.96 113.70 104.47 1x66 s SER 5 Ca 0.00 0.02 0.12 0.00 1.31 0.00 0.00 55.95 57.40 1x66 s SER 5 Cb 0.00 1.71 -0.22 0.00 0.21 0.00 0.00 66.02 67.72 1x66 s SER 5 CO 0.00 -0.20 -0.02 -0.24 0.41 0.00 0.00 173.24 173.19 1x66 n SER 6 N 5.12 0.71 0.00 2.44 2.88 -1.26 -4.84 113.62 118.66 1x66 n SER 6 Ca 0.07 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1x66 n SER 6 Cb 0.56 0.48 0.00 0.00 -0.75 0.00 0.00 64.21 64.50 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 1.92 0.78 3.69 0.46 0.00 -1.26 -5.12 105.19 105.67 1x66 n GLY 7 Ca -0.37 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.57 0.74 0.13 1.61 0.04 -1.26 -4.98 135.00 129.71 1x66 s PRO 8 Ca 0.00 0.63 -0.31 0.00 0.04 0.00 0.00 61.00 61.36 1x66 s PRO 8 Cb 0.00 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.70 1x66 s PRO 8 CO 0.00 -2.55 1.35 -1.25 0.04 0.00 0.00 177.00 174.60 1x66 s PRO 9 N -4.95 4.35 0.20 0.56 0.04 -1.26 -5.03 135.00 128.91 1x66 s PRO 9 Ca 0.65 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.71 1x66 s PRO 9 Cb -0.18 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 1x66 s PRO 9 CO 0.57 -0.38 0.41 -0.80 0.04 0.00 0.00 177.00 176.85 1x66 s ASN 10 N 0.92 6.41 0.05 6.66 -0.87 -1.26 -4.90 114.94 121.94 1x66 s ASN 10 Ca 0.62 0.46 -0.21 0.00 -1.57 0.00 0.00 52.86 52.16 1x66 s ASN 10 Cb -0.36 -2.04 -0.06 0.00 -0.02 0.00 0.00 41.25 38.77 1x66 s ASN 10 CO 0.32 -0.05 0.62 -0.32 -2.57 0.00 0.00 177.10 175.11 1x66 s MET 11 N -3.25 4.32 -0.22 -0.60 1.75 -1.26 -5.04 119.30 115.00 1x66 s MET 11 Ca 0.39 0.82 -0.00 0.00 -1.25 0.00 0.00 55.69 55.65 1x66 s MET 11 Cb -0.11 -3.30 0.06 0.00 2.84 0.00 0.00 34.83 34.32 1x66 s MET 11 CO 0.28 0.48 -0.03 0.99 -0.65 0.00 0.00 175.02 176.10 1x66 s THR 12 N -0.62 1.18 -2.15 10.11 2.01 -1.26 -4.97 115.64 119.95 1x66 s THR 12 Ca 0.32 -0.97 0.25 0.00 0.31 0.00 0.00 61.69 61.59 1x66 s THR 12 Cb -0.19 -1.52 0.18 0.00 0.01 0.00 0.00 72.50 70.98 1x66 s THR 12 CO 0.19 -0.12 1.36 1.07 -0.69 0.00 0.00 174.62 176.43 1x66 n THR 13 N 4.80 0.00 -3.38 -0.82 5.66 -1.26 -4.96 114.28 114.32 1x66 n THR 13 Ca -0.11 -0.25 -0.20 0.00 -3.05 0.00 0.00 64.05 60.44 1x66 n THR 13 Cb 0.45 0.91 0.06 0.00 -1.55 0.00 0.00 70.33 70.21 1x66 n THR 13 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1x66 n ASN 14 N -0.00 -5.65 0.00 1.09 4.13 -1.26 -4.73 115.26 108.84 1x66 n ASN 14 Ca 0.12 -0.44 0.00 0.00 1.68 0.00 0.00 54.58 55.94 1x66 n ASN 14 Cb 0.43 -4.27 0.00 0.00 -1.54 0.00 0.00 39.78 34.40 1x66 n ASN 14 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1x66 n GLU 15 N -4.21 0.00 0.00 3.52 2.13 -1.26 -5.06 120.64 115.76 1x66 n GLU 15 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1x66 n GLU 15 Cb 0.55 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.26 1x66 n GLU 15 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1x66 n ARG 16 N -1.39 0.00 -4.22 5.31 1.85 -1.26 -5.15 116.66 111.80 1x66 n ARG 16 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.67 1x66 n ARG 16 Cb 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.30 1x66 n ARG 16 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 1x66 s ARG 17 N -0.72 0.97 0.66 2.89 1.70 -1.26 -4.97 118.95 118.22 1x66 s ARG 17 Ca 0.00 -1.17 -0.17 0.00 -0.47 0.00 0.00 55.73 53.92 1x66 s ARG 17 Cb 0.00 -0.87 0.00 0.00 -0.57 0.00 0.00 34.95 33.51 1x66 s ARG 17 CO 0.00 0.17 1.21 0.08 -1.08 0.00 0.00 175.30 175.68 1x66 s VAL 18 N -1.95 2.48 -0.57 4.99 1.01 -1.26 -4.82 120.40 120.27 1x66 s VAL 18 Ca 0.06 0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.35 1x66 s VAL 18 Cb -0.06 -2.96 0.14 0.00 0.00 0.00 0.00 36.38 33.50 1x66 s VAL 18 CO 0.03 -0.10 0.33 -0.63 0.00 0.00 0.00 175.10 174.73 1x66 s ILE 19 N -1.79 2.75 0.07 2.22 1.01 -1.26 -5.07 121.20 119.12 1x66 s ILE 19 Ca 0.76 -3.54 0.02 0.00 0.00 0.00 0.00 60.65 57.88 1x66 s ILE 19 Cb -0.30 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 1x66 s ILE 19 CO 0.39 -0.86 -0.07 0.68 0.00 0.00 0.00 174.94 175.09 1x66 s VAL 20 N -0.58 0.57 1.00 2.92 -7.23 -1.26 -5.07 120.40 110.76 1x66 s VAL 20 Ca 0.19 -1.50 -0.12 0.00 -1.81 0.00 0.00 61.98 58.74 1x66 s VAL 20 Cb -0.20 -1.13 0.19 0.00 0.56 0.00 0.00 36.38 35.80 1x66 s VAL 20 CO -0.04 -0.64 1.09 -2.16 -0.31 0.00 0.00 175.10 173.04 1x66 s PRO 21 N -2.72 0.38 0.00 4.82 0.04 -1.26 -5.01 135.00 131.25 1x66 s PRO 21 Ca 0.00 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1x66 s PRO 21 Cb -0.02 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1x66 s PRO 21 CO -0.03 -2.76 0.66 0.00 0.04 0.00 0.00 177.00 174.91 1x66 n ALA 22 N -4.19 -0.15 -1.78 8.56 0.00 -1.26 -4.69 120.51 117.00 1x66 n ALA 22 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.08 1x66 n ALA 22 Cb 0.57 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 1x66 n ALA 22 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x66 s ASP 23 N -2.07 6.44 0.32 0.00 2.15 -1.25 -4.79 116.67 117.48 1x66 s ASP 23 Ca 0.00 2.96 0.11 0.00 0.43 0.00 0.00 52.55 56.05 1x66 s ASP 23 Cb 0.00 -2.66 0.54 0.00 -0.30 0.00 0.00 42.92 40.50 1x66 s ASP 23 CO 0.00 -0.80 1.72 1.55 -0.17 0.00 0.00 175.17 177.47 1x66 h PRO 24 N 3.24 0.01 0.00 4.34 0.13 -1.84 -2.87 132.00 135.01 1x66 h PRO 24 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1x66 h PRO 24 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1x66 h PRO 24 CO 0.66 0.50 0.05 1.79 -0.23 0.00 0.00 178.00 180.76 1x66 h THR 25 N 0.01 0.00 -0.22 1.56 1.35 -1.91 0.24 112.91 113.93 1x66 h THR 25 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1x66 h THR 25 Cb 0.87 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1x66 h THR 25 CO 0.06 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.51 1x66 n LEU 26 N -3.04 1.49 -4.70 3.87 4.77 -1.08 -4.28 117.00 114.03 1x66 n LEU 26 Ca -0.03 -0.69 -0.40 0.00 -0.03 0.00 0.00 56.01 54.86 1x66 n LEU 26 Cb 0.11 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1x66 n LEU 26 CO 0.19 0.34 0.46 0.26 -1.33 0.00 0.00 177.39 177.31 1x66 s TRP 27 N -1.71 3.51 0.55 -1.77 0.51 0.83 -4.84 118.94 116.01 1x66 s TRP 27 Ca 0.26 1.21 -0.09 0.00 -2.12 0.00 0.00 56.10 55.36 1x66 s TRP 27 Cb 0.13 -2.87 0.13 0.00 -0.81 0.00 0.00 33.47 30.06 1x66 s TRP 27 CO 0.19 -0.04 0.71 0.25 -0.51 0.00 0.00 176.95 177.55 1x66 n THR 28 N 4.17 0.00 0.27 2.01 -2.24 -1.26 -0.06 114.28 117.17 1x66 n THR 28 Ca 0.00 -0.50 0.16 0.00 -2.27 0.00 0.00 64.05 61.45 1x66 n THR 28 Cb 0.50 -1.66 0.81 0.00 -2.10 0.00 0.00 70.33 67.88 1x66 n THR 28 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1x66 h GLN 29 N 0.00 0.00 0.03 -0.78 4.15 -1.94 -2.62 115.11 113.95 1x66 h GLN 29 Ca -0.23 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 58.81 1x66 h GLN 29 Cb 0.65 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.29 1x66 h GLN 29 CO 0.16 0.00 -2.15 -1.91 -1.93 0.00 0.00 178.83 173.00 1x66 n GLU 30 N -2.65 0.64 -0.07 1.69 2.13 -1.26 -4.29 120.64 116.84 1x66 n GLU 30 Ca -0.01 0.29 -0.07 0.00 0.66 0.00 0.00 57.16 58.03 1x66 n GLU 30 Cb 0.11 -1.60 -0.01 0.00 0.27 0.00 0.00 31.44 30.22 1x66 n GLU 30 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1x66 h HIS 31 N -0.46 -0.54 -0.99 4.31 3.86 -1.82 0.11 115.15 119.62 1x66 h HIS 31 Ca -0.54 0.04 0.28 0.00 -1.16 0.00 0.00 60.37 58.99 1x66 h HIS 31 Cb 1.73 0.28 -0.05 0.00 1.06 0.00 0.00 27.41 30.44 1x66 h HIS 31 CO 0.02 -0.28 0.69 0.28 0.86 0.00 0.00 177.93 179.50 1x66 h VAL 32 N -0.19 0.53 0.13 2.45 2.07 -1.70 0.18 116.25 119.72 1x66 h VAL 32 Ca 0.15 -0.03 -0.19 0.00 0.82 0.00 0.00 66.70 67.45 1x66 h VAL 32 Cb 0.42 0.42 0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1x66 h VAL 32 CO -0.40 0.02 -0.83 0.03 0.02 0.00 0.00 177.57 176.41 1x66 h ARG 33 N 0.09 0.34 0.18 1.57 3.08 -1.03 -3.05 114.38 115.57 1x66 h ARG 33 Ca 0.49 -0.54 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1x66 h ARG 33 Cb 1.76 0.19 0.00 0.00 0.08 0.00 0.00 29.97 32.01 1x66 h ARG 33 CO -0.06 1.24 -0.09 1.96 -1.07 0.00 0.00 179.97 181.95 1x66 h GLN 34 N -0.27 -0.23 -0.86 0.04 4.20 0.64 -2.28 115.11 116.34 1x66 h GLN 34 Ca -0.14 0.02 0.12 0.00 0.06 0.00 0.00 58.65 58.70 1x66 h GLN 34 Cb 1.63 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 29.40 1x66 h GLN 34 CO 0.16 -0.05 0.56 2.35 -0.67 0.00 0.00 178.83 181.18 1x66 h TRP 35 N -0.38 0.84 0.76 2.96 7.01 -0.89 -1.30 115.95 124.95 1x66 h TRP 35 Ca -0.02 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.96 1x66 h TRP 35 Cb 0.29 -0.27 0.01 0.00 -2.10 0.00 0.00 29.16 27.09 1x66 h TRP 35 CO -0.02 0.36 -0.37 1.25 -2.79 0.00 0.00 178.44 176.87 1x66 h LEU 36 N 0.75 -0.87 -2.00 0.65 5.85 -1.38 -1.40 115.31 116.92 1x66 h LEU 36 Ca 0.41 0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.33 1x66 h LEU 36 Cb 0.56 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1x66 h LEU 36 CO -0.18 -0.57 0.46 -0.33 -0.34 0.00 0.00 178.44 177.48 1x66 h GLU 37 N -1.12 0.00 0.42 1.25 5.08 -1.13 -1.83 114.58 117.25 1x66 h GLU 37 Ca -0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1x66 h GLU 37 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1x66 h GLU 37 CO 0.17 0.00 -0.20 2.35 -1.00 0.00 0.00 179.01 180.33 1x66 h TRP 38 N 0.00 -0.52 -0.82 4.33 7.01 -0.96 -2.36 115.95 122.63 1x66 h TRP 38 Ca 0.27 -0.01 0.24 0.00 2.11 0.00 0.00 58.89 61.49 1x66 h TRP 38 Cb 1.18 0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 28.38 1x66 h TRP 38 CO 0.00 -0.32 0.61 0.00 -2.79 0.00 0.00 178.44 175.93 1x66 h ALA 39 N -1.38 2.75 -0.11 2.65 0.00 -0.77 0.30 119.26 122.71 1x66 h ALA 39 Ca -0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1x66 h ALA 39 Cb 0.43 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1x66 h ALA 39 CO 0.09 -1.03 -0.14 0.82 0.00 0.00 0.00 179.25 179.00 1x66 h ILE 40 N 0.00 1.37 0.00 0.00 2.04 -1.33 0.25 117.51 119.84 1x66 h ILE 40 Ca 0.39 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 1x66 h ILE 40 Cb 1.60 2.01 -0.00 0.00 -0.74 0.00 0.00 36.82 39.68 1x66 h ILE 40 CO -0.00 0.38 -0.14 0.07 0.00 0.00 0.00 178.15 178.46 1x66 h LYS 41 N -0.14 0.00 0.00 2.37 2.10 -0.47 0.33 116.57 120.76 1x66 h LYS 41 Ca 0.01 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.59 1x66 h LYS 41 Cb 0.68 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.00 1x66 h LYS 41 CO 0.03 0.14 -0.46 1.49 -2.00 0.00 0.00 179.45 178.65 1x66 h GLU 42 N 0.00 0.00 -0.28 0.07 4.57 -0.44 -3.35 114.58 115.15 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 0.87 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.46 1x66 h GLU 42 CO 0.02 0.65 0.00 0.66 -1.18 0.00 0.00 179.01 179.15 1x66 n TYR 43 N -4.59 0.37 -3.88 0.92 4.01 0.87 -4.91 117.16 109.95 1x66 n TYR 43 Ca -0.14 -0.18 -0.27 0.00 -0.16 0.00 0.00 57.90 57.15 1x66 n TYR 43 Cb 0.41 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.45 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 0.39 -2.29 -4.76 7.72 7.64 0.41 -4.91 113.62 117.83 1x66 n SER 44 Ca 0.12 -0.87 -0.40 0.00 1.01 0.00 0.00 58.87 58.73 1x66 n SER 44 Cb 0.28 -3.63 -0.04 0.00 -1.01 0.00 0.00 64.21 59.82 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 -6.99 4.52 0.18 -3.43 1.43 0.88 -5.00 118.68 110.27 1x66 s LEU 45 Ca 0.28 2.31 0.05 0.00 -1.03 0.00 0.00 54.13 55.74 1x66 s LEU 45 Cb -0.14 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.40 1x66 s LEU 45 CO 0.85 -0.23 -0.08 -0.04 0.23 0.00 0.00 176.35 177.08 1x66 s MET 46 N -1.26 1.17 -1.23 1.70 -1.94 -1.26 -4.81 119.30 111.67 1x66 s MET 46 Ca 0.46 -1.53 -0.05 0.00 -1.71 0.00 0.00 55.69 52.86 1x66 s MET 46 Cb -0.33 -0.70 0.01 0.00 2.01 0.00 0.00 34.83 35.82 1x66 s MET 46 CO 0.42 0.05 0.68 0.39 -0.01 0.00 0.00 175.02 176.55 1x66 n GLU 47 N -0.28 -5.02 -4.46 2.03 1.02 -1.26 -4.63 120.64 108.04 1x66 n GLU 47 Ca -0.09 0.73 -0.34 0.00 -0.02 0.00 0.00 57.16 57.44 1x66 n GLU 47 Cb 0.61 -5.30 -0.11 0.00 -0.02 0.00 0.00 31.44 26.63 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 -3.14 4.00 -0.81 -3.67 2.07 -1.26 -3.56 121.20 114.82 1x66 s ILE 48 Ca 0.34 -0.35 -0.16 0.00 -1.41 0.00 0.00 60.65 59.07 1x66 s ILE 48 Cb -0.15 -2.69 0.18 0.00 0.13 0.00 0.00 42.46 39.93 1x66 s ILE 48 CO 0.42 0.57 0.85 -0.62 -1.91 0.00 0.00 174.94 174.24 1x66 s ASP 49 N -0.46 6.62 0.44 4.50 2.15 0.86 -4.87 116.67 125.91 1x66 s ASP 49 Ca 0.08 -2.31 0.16 0.00 0.43 0.00 0.00 52.55 50.91 1x66 s ASP 49 Cb -0.12 -2.27 1.02 0.00 -0.30 0.00 0.00 42.92 41.24 1x66 s ASP 49 CO 0.02 -0.79 1.97 0.71 -0.17 0.00 0.00 175.17 176.91 1x66 h THR 50 N 5.28 1.06 -0.53 1.71 1.35 -1.98 -2.44 112.91 117.36 1x66 h THR 50 Ca 0.05 -0.75 0.08 0.00 -0.55 0.00 0.00 66.41 65.25 1x66 h THR 50 Cb 1.04 1.41 -0.03 0.00 -1.73 0.00 0.00 68.15 68.85 1x66 h THR 50 CO 0.91 0.21 0.36 0.77 -0.25 0.00 0.00 175.52 177.51 1x66 h SER 51 N 0.00 0.32 -0.07 5.36 4.64 -1.98 0.54 113.55 122.36 1x66 h SER 51 Ca -0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1x66 h SER 51 Cb 0.40 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1x66 h SER 51 CO 0.03 0.20 0.12 0.15 -0.87 0.00 0.00 176.83 176.46 1x66 h PHE 52 N 0.37 0.00 -0.10 4.77 3.04 -1.83 0.27 116.94 123.45 1x66 h PHE 52 Ca 0.24 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.18 1x66 h PHE 52 Cb 0.47 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.97 1x66 h PHE 52 CO -0.00 0.00 -0.05 1.19 -2.02 0.00 0.00 178.31 177.43 1x66 n PHE 53 N -3.52 0.36 0.19 0.41 3.01 0.15 -4.64 117.46 113.42 1x66 n PHE 53 Ca -0.01 -1.05 0.06 0.00 1.01 0.00 0.00 57.45 57.46 1x66 n PHE 53 Cb 0.21 -0.23 0.52 0.00 -0.01 0.00 0.00 39.48 39.97 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 0.70 0.12 -0.16 -1.08 3.07 -0.61 -3.15 115.11 114.01 1x66 h GLN 54 Ca 0.02 -0.02 -0.20 0.00 0.09 0.00 0.00 58.65 58.54 1x66 h GLN 54 Cb 1.18 -0.02 -0.36 0.00 0.08 0.00 0.00 27.48 28.36 1x66 h GLN 54 CO 0.09 0.17 -1.01 0.09 0.09 0.00 0.00 178.83 178.27 1x66 n ASN 55 N -4.42 1.40 -4.36 0.06 3.02 -1.26 -4.92 115.26 104.78 1x66 n ASN 55 Ca -0.02 -2.25 -0.45 0.00 -0.03 0.00 0.00 54.58 51.83 1x66 n ASN 55 Cb 0.17 -0.37 -0.05 0.00 -0.61 0.00 0.00 39.78 38.91 1x66 n ASN 55 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1x66 s MET 56 N -1.53 3.02 0.67 3.52 1.75 -1.19 -5.01 119.30 120.53 1x66 s MET 56 Ca 0.33 -1.42 -0.17 0.00 -1.25 0.00 0.00 55.69 53.18 1x66 s MET 56 Cb 0.37 -4.25 0.00 0.00 2.84 0.00 0.00 34.83 33.80 1x66 s MET 56 CO -0.11 -1.37 1.23 -0.40 -0.65 0.00 0.00 175.02 173.72 1x66 n ASP 57 N 5.79 1.72 -0.41 1.11 5.68 -1.26 -4.61 116.55 124.56 1x66 n ASP 57 Ca -0.11 0.78 0.34 0.00 -0.50 0.00 0.00 54.79 55.30 1x66 n ASP 57 Cb 0.42 -1.53 0.64 0.00 -1.14 0.00 0.00 41.12 39.51 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 0.26 0.96 0.90 6.12 0.00 -0.60 0.42 103.07 111.13 1x66 h GLY 58 Ca -0.50 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 46.68 1x66 h GLY 58 CO 0.51 -0.23 0.06 0.50 0.00 0.00 0.00 176.54 177.39 1x66 h LYS 59 N 0.15 0.52 0.00 4.80 1.79 -1.76 -0.31 116.57 121.77 1x66 h LYS 59 Ca 0.73 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 59.06 1x66 h LYS 59 Cb 2.32 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.91 1x66 h LYS 59 CO -0.28 0.60 0.00 0.39 -1.08 0.00 0.00 179.45 179.08 1x66 n GLU 60 N -4.62 0.07 0.00 3.15 -0.58 0.13 -2.71 120.64 116.08 1x66 n GLU 60 Ca -0.02 0.15 -0.16 0.00 -0.42 0.00 0.00 57.16 56.72 1x66 n GLU 60 Cb 0.21 -1.60 -0.14 0.00 -0.57 0.00 0.00 31.44 29.33 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 0.24 -0.06 -4.62 5.85 -0.54 -3.21 115.31 112.97 1x66 h LEU 61 Ca 0.00 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1x66 h LEU 61 Cb 0.47 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1x66 h LEU 61 CO 0.00 1.46 0.00 0.00 -0.34 0.00 0.00 178.44 179.56 1x66 h LYS 63 N 0.00 0.00 -6.65 0.00 2.10 -1.64 -3.47 116.57 106.91 1x66 h LYS 63 Ca 0.00 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 58.07 1x66 h LYS 63 Cb 0.76 0.00 0.16 0.00 -0.90 0.00 0.00 32.23 32.25 1x66 h LYS 63 CO 0.00 0.33 -0.11 -1.33 -2.00 0.00 0.00 179.45 176.34 1x66 n MET 64 N -2.93 0.77 -4.56 0.07 2.81 -1.20 -5.01 117.12 107.08 1x66 n MET 64 Ca -0.09 0.30 -0.31 0.00 -1.81 0.00 0.00 57.70 55.78 1x66 n MET 64 Cb 0.85 -1.93 -0.06 0.00 -0.71 0.00 0.00 33.22 31.37 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 -1.14 4.24 0.32 7.83 0.01 -1.26 -4.95 114.94 119.99 1x66 s ASN 65 Ca 0.71 -1.55 0.08 0.00 -0.71 0.00 0.00 52.86 51.39 1x66 s ASN 65 Cb -0.45 0.45 0.80 0.00 0.41 0.00 0.00 41.25 42.46 1x66 s ASN 65 CO 0.52 -0.89 1.79 0.50 -1.51 0.00 0.00 177.10 177.51 1x66 h LYS 66 N 1.23 0.69 0.61 -0.60 1.63 -1.95 0.17 116.57 118.36 1x66 h LYS 66 Ca -0.42 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.30 1x66 h LYS 66 Cb 1.31 -0.16 0.01 0.00 -0.60 0.00 0.00 32.23 32.79 1x66 h LYS 66 CO 0.71 0.46 -0.29 0.93 -3.45 0.00 0.00 179.45 177.80 1x66 h GLU 67 N 0.71 -0.79 -0.40 1.90 5.08 -1.98 0.15 114.58 119.25 1x66 h GLU 67 Ca 0.56 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 59.09 1x66 h GLU 67 Cb 0.94 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1x66 h GLU 67 CO -0.33 -0.51 0.34 -0.44 -1.00 0.00 0.00 179.01 177.07 1x66 h ASP 68 N -1.19 0.00 0.46 1.42 3.32 -1.83 0.05 116.42 118.65 1x66 h ASP 68 Ca -0.08 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.66 1x66 h ASP 68 Cb 0.65 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.21 1x66 h ASP 68 CO 0.14 0.00 -1.43 -0.26 -1.72 0.00 0.00 179.24 175.97 1x66 h PHE 69 N 0.00 0.61 0.00 4.55 0.04 -0.57 -3.26 116.94 118.31 1x66 h PHE 69 Ca 0.19 -0.45 0.00 0.00 2.80 0.00 0.00 57.97 60.51 1x66 h PHE 69 Cb 0.88 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.00 1x66 h PHE 69 CO 0.00 1.41 0.00 -0.07 -0.60 0.00 0.00 178.31 179.05 1x66 h LEU 70 N 0.09 0.00 -0.31 1.54 3.38 0.12 0.25 115.31 120.38 1x66 h LEU 70 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1x66 h LEU 70 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 1x66 h LEU 70 CO 0.21 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.28 1x66 n ARG 71 N -2.80 1.21 0.00 1.13 1.74 -0.66 -4.06 116.66 113.22 1x66 n ARG 71 Ca 0.01 -0.31 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 1x66 n ARG 71 Cb 0.26 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 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 -0.55 1.95 -2.44 7.54 0.00 -0.75 -5.03 120.51 121.24 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 19.66 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 2.05 1.02 0.00 -1.32 0.80 -0.10 115.64 116.76 1x66 s THR 73 Ca 0.00 -2.05 -0.11 0.00 -1.21 0.00 0.00 61.69 58.31 1x66 s THR 73 Cb 0.00 -2.01 0.20 0.00 -1.51 0.00 0.00 72.50 69.18 1x66 s THR 73 CO 0.00 -0.30 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 -1.23 -4.03 115.64 114.31 1x66 s THR 74 Ca 0.20 0.06 -0.25 0.00 -1.21 0.00 0.00 61.69 60.49 1x66 s THR 74 Cb -0.06 -2.20 -0.11 0.00 -1.51 0.00 0.00 72.50 68.63 1x66 s THR 74 CO 0.09 -0.08 1.68 0.25 -2.21 0.00 0.00 174.62 174.35 1x66 h LEU 75 N -2.12 -0.38 -0.46 9.08 5.85 -1.94 0.13 115.31 125.47 1x66 h LEU 75 Ca -0.52 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.33 1x66 h LEU 75 Cb 1.30 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 42.38 1x66 h LEU 75 CO 0.48 -0.21 -0.20 0.22 -0.34 0.00 0.00 178.44 178.39 1x66 h TYR 76 N -0.29 -0.50 -0.49 1.25 5.03 -1.99 0.17 116.97 120.15 1x66 h TYR 76 Ca 0.02 0.05 -0.07 0.00 2.58 0.00 0.00 58.73 61.31 1x66 h TYR 76 Cb 0.30 0.29 -0.02 0.00 1.55 0.00 0.00 36.73 38.84 1x66 h TYR 76 CO -0.15 -0.28 0.04 -0.91 -1.32 0.00 0.00 178.16 175.53 1x66 h ASN 77 N -0.11 0.76 -0.99 -2.11 2.35 -1.86 -2.73 115.58 110.89 1x66 h ASN 77 Ca 0.22 -0.17 0.07 0.00 -0.55 0.00 0.00 56.30 55.87 1x66 h ASN 77 Cb 0.44 -0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.54 1x66 h ASN 77 CO -0.52 0.80 0.64 0.74 -1.65 0.00 0.00 177.43 177.44 1x66 h THR 78 N 0.75 1.07 -0.56 2.81 2.02 0.12 -0.91 112.91 118.21 1x66 h THR 78 Ca 0.15 -0.39 -0.10 0.00 0.77 0.00 0.00 66.41 66.84 1x66 h THR 78 Cb 0.40 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 1x66 h THR 78 CO 0.01 0.21 -0.06 -0.33 0.37 0.00 0.00 175.52 175.72 1x66 h GLU 79 N 1.14 1.01 0.61 6.66 5.08 -0.95 -1.81 114.58 126.33 1x66 h GLU 79 Ca 0.43 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1x66 h GLU 79 Cb 0.21 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.38 1x66 h GLU 79 CO -0.18 1.03 -0.29 0.28 -1.00 0.00 0.00 179.01 178.85 1x66 h VAL 80 N 0.91 0.25 0.10 3.13 2.07 -1.18 -0.89 116.25 120.65 1x66 h VAL 80 Ca 0.15 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1x66 h VAL 80 Cb 0.61 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1x66 h VAL 80 CO 0.04 0.03 -0.37 -0.07 0.02 0.00 0.00 177.57 177.22 1x66 h LEU 81 N -1.06 -1.07 -0.50 2.57 3.38 -1.24 0.24 115.31 117.63 1x66 h LEU 81 Ca -0.08 0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.10 1x66 h LEU 81 Cb 0.68 0.41 -0.08 0.00 0.09 0.00 0.00 40.66 41.76 1x66 h LEU 81 CO 0.14 -0.44 0.02 -0.07 0.09 0.00 0.00 178.44 178.18 1x66 h LEU 82 N -0.58 -0.17 -0.31 1.67 -0.00 -1.39 0.15 115.31 114.67 1x66 h LEU 82 Ca 0.03 0.11 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1x66 h LEU 82 Cb 0.62 0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 41.46 1x66 h LEU 82 CO -0.23 -0.05 0.20 -1.28 -0.00 0.00 0.00 178.44 177.08 1x66 h SER 83 N 0.14 0.36 0.77 -0.43 0.87 -0.62 0.37 113.55 115.02 1x66 h SER 83 Ca 0.25 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.75 1x66 h SER 83 Cb 0.37 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1x66 h SER 83 CO -0.40 0.28 -0.39 -0.74 -0.53 0.00 0.00 176.83 175.04 1x66 h HIS 84 N 0.41 -1.03 -0.16 2.24 -0.00 0.36 -2.36 115.15 114.62 1x66 h HIS 84 Ca 0.11 -0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.51 1x66 h HIS 84 Cb -0.03 0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 1x66 h HIS 84 CO -0.05 -0.63 0.15 1.25 -0.00 0.00 0.00 177.93 178.66 1x66 h LEU 85 N -1.07 0.00 -0.62 0.26 5.85 -0.69 -1.86 115.31 117.18 1x66 h LEU 85 Ca -0.10 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.70 1x66 h LEU 85 Cb 0.83 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 1x66 h LEU 85 CO 0.16 0.00 0.28 0.77 -0.34 0.00 0.00 178.44 179.31 1x66 h SER 86 N 0.00 0.35 0.14 1.25 4.64 -0.36 0.25 113.55 119.83 1x66 h SER 86 Ca 0.08 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1x66 h SER 86 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1x66 h SER 86 CO -0.00 0.21 -0.07 0.22 -0.87 0.00 0.00 176.83 176.33 1x66 h TYR 87 N 0.51 -0.18 -0.89 4.77 3.20 -1.31 -2.77 116.97 120.31 1x66 h TYR 87 Ca 0.30 -0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.39 1x66 h TYR 87 Cb 0.31 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 1x66 h TYR 87 CO -0.13 0.26 0.60 -0.07 -1.64 0.00 0.00 178.16 177.18 1x66 h LEU 88 N -0.90 0.26 -0.40 2.82 4.07 -1.38 0.26 115.31 120.04 1x66 h LEU 88 Ca -0.02 0.03 -0.18 0.00 0.08 0.00 0.00 57.88 57.79 1x66 h LEU 88 Cb 0.52 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.24 1x66 h LEU 88 CO 0.03 0.10 -0.68 0.03 -1.08 0.00 0.00 178.44 176.84 1x66 h ARG 89 N 0.25 0.51 -0.86 1.13 3.08 -0.53 -3.14 114.38 114.82 1x66 h ARG 89 Ca 0.45 -0.39 -0.45 0.00 0.07 0.00 0.00 59.98 59.66 1x66 h ARG 89 Cb 1.35 0.07 -0.27 0.00 0.08 0.00 0.00 29.97 31.21 1x66 h ARG 89 CO -0.12 1.01 0.50 0.39 -1.07 0.00 0.00 179.97 180.68 1x66 n GLU 90 N -3.89 2.17 -0.10 0.04 -0.58 0.71 -4.25 120.64 114.74 1x66 n GLU 90 Ca -0.04 -3.06 -0.14 0.00 -0.42 0.00 0.00 57.16 53.50 1x66 n GLU 90 Cb 0.68 -2.11 -0.09 0.00 -0.57 0.00 0.00 31.44 29.35 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 -1.14 2.40 -2.01 1.62 2.88 0.05 -4.65 113.62 112.78 1x66 n SER 91 Ca 0.54 -0.11 -0.20 0.00 -1.33 0.00 0.00 58.87 57.78 1x66 n SER 91 Cb 1.52 -0.29 0.03 0.00 -0.75 0.00 0.00 64.21 64.73 1x66 n SER 91 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x66 n SER 92 N -3.07 4.38 -3.64 -3.46 2.88 -1.26 -5.02 113.62 104.43 1x66 n SER 92 Ca -0.35 -3.58 -0.03 0.00 -1.33 0.00 0.00 58.87 53.58 1x66 n SER 92 Cb 0.88 -0.36 -0.01 0.00 -0.75 0.00 0.00 64.21 63.96 1x66 n SER 92 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x66 s SER 93 N -3.59 -0.17 0.00 -3.46 0.01 -1.26 -4.94 113.70 100.29 1x66 s SER 93 Ca 0.48 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.56 1x66 s SER 93 Cb 0.40 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.94 1x66 s SER 93 CO 0.02 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.73 1x66 n GLY 94 N -0.37 -1.20 3.67 3.44 0.00 -1.26 -4.71 105.19 104.77 1x66 n GLY 94 Ca -0.06 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.45 4.23 0.46 1.61 0.04 -1.26 -5.01 135.00 133.63 1x66 s PRO 95 Ca 0.00 2.01 -0.15 0.00 0.04 0.00 0.00 61.00 62.90 1x66 s PRO 95 Cb 0.00 -3.74 -0.08 0.00 0.04 0.00 0.00 34.50 30.72 1x66 s PRO 95 CO 0.00 -0.70 0.90 0.45 0.04 0.00 0.00 177.00 177.69 1x66 s SER 96 N 2.42 6.63 -1.44 6.66 0.15 -1.26 -3.97 113.70 122.89 1x66 s SER 96 Ca 0.66 1.43 -0.09 0.00 0.70 0.00 0.00 55.95 58.65 1x66 s SER 96 Cb -0.31 -2.45 0.05 0.00 -1.71 0.00 0.00 66.02 61.60 1x66 s SER 96 CO 0.26 -0.49 0.98 -1.20 1.20 0.00 0.00 173.24 173.99 1x66 n SER 97 N -1.34 -4.31 0.00 5.45 7.64 -1.26 -5.36 113.62 114.45 1x66 n SER 97 Ca 0.05 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1x66 n SER 97 Cb 0.54 -4.23 0.00 0.00 -1.01 0.00 0.00 64.21 59.50 1x66 n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64