#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 -6.68 -4.52 1.61 7.64 -1.26 -5.02 113.62 105.39 1x66 n SER 2 Ca 0.00 -0.60 -0.25 0.00 1.01 0.00 0.00 58.87 59.03 1x66 n SER 2 Cb 0.00 -4.80 -0.10 0.00 -1.01 0.00 0.00 64.21 58.30 1x66 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x66 s SER 3 N -3.28 3.89 0.00 6.43 0.15 -1.26 -5.05 113.70 114.58 1x66 s SER 3 Ca 0.32 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1x66 s SER 3 Cb -0.06 -0.49 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 1x66 s SER 3 CO 0.77 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.89 1x66 n GLY 4 N -0.27 3.63 0.09 9.45 0.00 -1.26 -5.06 105.19 111.78 1x66 n GLY 4 Ca -0.09 -1.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.02 1x66 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x66 n SER 5 N 0.00 0.05 -0.00 1.61 7.64 -1.26 -4.77 113.62 116.88 1x66 n SER 5 Ca 0.00 0.02 -0.00 0.00 1.01 0.00 0.00 58.87 59.90 1x66 n SER 5 Cb 0.00 1.03 -0.00 0.00 -1.01 0.00 0.00 64.21 64.23 1x66 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x66 n SER 6 N -2.72 0.07 0.00 6.43 7.64 -1.26 -5.16 113.62 118.62 1x66 n SER 6 Ca -0.30 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.59 1x66 n SER 6 Cb 1.10 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 1x66 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x66 n GLY 7 N 2.99 0.29 3.69 0.23 0.00 -1.26 -5.15 105.19 105.98 1x66 n GLY 7 Ca -0.00 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.91 0.73 1.01 1.61 0.04 -1.26 -4.86 135.00 130.36 1x66 s PRO 8 Ca 0.00 0.64 -0.17 0.00 0.04 0.00 0.00 61.00 61.51 1x66 s PRO 8 Cb 0.00 -1.76 0.25 0.00 0.04 0.00 0.00 34.50 33.03 1x66 s PRO 8 CO 0.00 -2.56 0.90 -0.35 0.04 0.00 0.00 177.00 175.03 1x66 n PRO 9 N -4.07 -2.77 -1.49 0.56 -0.04 -1.26 -5.03 135.00 120.89 1x66 n PRO 9 Ca 0.06 -1.44 -0.03 0.00 -0.04 0.00 0.00 63.50 62.06 1x66 n PRO 9 Cb 0.56 -1.35 -0.01 0.00 -0.04 0.00 0.00 33.50 32.67 1x66 n PRO 9 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1x66 n ASN 10 N -4.54 -0.28 -4.64 3.54 5.15 -1.26 -5.10 115.26 108.13 1x66 n ASN 10 Ca 0.12 -2.03 -0.43 0.00 -0.60 0.00 0.00 54.58 51.65 1x66 n ASN 10 Cb 0.48 0.12 -0.02 0.00 -0.53 0.00 0.00 39.78 39.83 1x66 n ASN 10 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 1x66 s MET 11 N -0.26 4.10 -0.31 1.20 1.75 -1.26 -4.98 119.30 119.53 1x66 s MET 11 Ca 0.13 1.09 -0.29 0.00 -1.25 0.00 0.00 55.69 55.38 1x66 s MET 11 Cb 0.19 -3.71 -0.01 0.00 2.84 0.00 0.00 34.83 34.14 1x66 s MET 11 CO -0.07 -0.82 1.55 0.95 -0.65 0.00 0.00 175.02 175.97 1x66 s THR 12 N 3.49 3.78 -0.06 10.11 -4.23 -1.26 -4.96 115.64 122.51 1x66 s THR 12 Ca 0.44 0.84 -0.29 0.00 -1.18 0.00 0.00 61.69 61.50 1x66 s THR 12 Cb -0.13 -3.91 0.07 0.00 1.34 0.00 0.00 72.50 69.87 1x66 s THR 12 CO 0.13 -0.48 0.65 -0.89 -0.54 0.00 0.00 174.62 173.49 1x66 s THR 13 N 5.50 0.01 0.31 3.99 2.01 -1.26 -5.04 115.64 121.16 1x66 s THR 13 Ca 0.68 -0.04 0.10 0.00 0.31 0.00 0.00 61.69 62.74 1x66 s THR 13 Cb -0.20 -0.96 0.03 0.00 0.01 0.00 0.00 72.50 71.38 1x66 s THR 13 CO 0.30 -0.02 1.70 -1.13 -0.69 0.00 0.00 174.62 174.78 1x66 h ASN 14 N 3.24 0.05 -2.70 3.53 -1.24 -1.93 -3.46 115.58 113.08 1x66 h ASN 14 Ca -0.27 -0.02 -0.55 0.00 0.71 0.00 0.00 56.30 56.16 1x66 h ASN 14 Cb 1.15 -0.01 -0.13 0.00 0.73 0.00 0.00 38.32 40.05 1x66 h ASN 14 CO 0.37 0.54 -0.54 -1.61 -1.29 0.00 0.00 177.43 174.89 1x66 s GLU 15 N -3.92 1.89 -1.53 6.67 8.01 -1.26 -5.04 118.70 123.53 1x66 s GLU 15 Ca -0.02 -2.13 -0.11 0.00 0.01 0.00 0.00 54.97 52.72 1x66 s GLU 15 Cb 0.13 -0.86 -0.01 0.00 -4.31 0.00 0.00 34.13 29.08 1x66 s GLU 15 CO 0.75 -0.36 2.63 -2.13 0.01 0.00 0.00 175.26 176.15 1x66 n ARG 16 N -0.90 3.54 -2.19 1.61 3.00 -1.26 -4.81 116.66 115.65 1x66 n ARG 16 Ca -0.07 -2.53 -0.01 0.00 -0.00 0.00 0.00 57.85 55.25 1x66 n ARG 16 Cb 0.66 -2.93 0.01 0.00 0.00 0.00 0.00 32.46 30.19 1x66 n ARG 16 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1x66 n ARG 17 N 4.15 0.17 -4.50 -0.14 1.85 -1.26 -5.18 116.66 111.75 1x66 n ARG 17 Ca 0.67 -0.41 -0.29 0.00 -1.00 0.00 0.00 57.85 56.82 1x66 n ARG 17 Cb 0.29 0.56 -0.13 0.00 -1.05 0.00 0.00 32.46 32.13 1x66 n ARG 17 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1x66 s VAL 18 N -2.38 2.37 -0.56 8.89 1.01 -1.26 -4.88 120.40 123.59 1x66 s VAL 18 Ca 0.07 -1.60 0.04 0.00 0.00 0.00 0.00 61.98 60.49 1x66 s VAL 18 Cb -0.01 -2.03 0.14 0.00 0.00 0.00 0.00 36.38 34.49 1x66 s VAL 18 CO 0.01 0.17 0.33 -0.63 0.00 0.00 0.00 175.10 174.98 1x66 s ILE 19 N -1.01 2.47 0.08 2.22 1.01 -1.26 -5.08 121.20 119.63 1x66 s ILE 19 Ca 0.14 -3.50 0.03 0.00 0.00 0.00 0.00 60.65 57.32 1x66 s ILE 19 Cb -0.10 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1x66 s ILE 19 CO 0.06 -0.88 -0.08 0.68 0.00 0.00 0.00 174.94 174.71 1x66 s VAL 20 N -0.55 0.73 1.08 2.92 -7.23 -1.26 -5.07 120.40 111.02 1x66 s VAL 20 Ca 0.20 -1.55 -0.15 0.00 -1.81 0.00 0.00 61.98 58.67 1x66 s VAL 20 Cb -0.19 -1.22 0.23 0.00 0.56 0.00 0.00 36.38 35.76 1x66 s VAL 20 CO -0.05 -0.60 1.10 -2.16 -0.31 0.00 0.00 175.10 173.07 1x66 s PRO 21 N -2.74 -0.25 0.00 4.82 0.04 -1.26 -5.02 135.00 130.59 1x66 s PRO 21 Ca 0.02 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.35 1x66 s PRO 21 Cb -0.03 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1x66 s PRO 21 CO -0.01 -3.14 0.63 0.00 0.04 0.00 0.00 177.00 174.52 1x66 n ALA 22 N -4.42 -0.15 -1.78 8.56 0.00 -1.26 -4.72 120.51 116.74 1x66 n ALA 22 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 1x66 n ALA 22 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.03 1x66 n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x66 s ASP 23 N -1.98 6.36 0.29 0.00 1.01 -1.26 -4.84 116.67 116.24 1x66 s ASP 23 Ca 0.00 2.98 0.08 0.00 0.71 0.00 0.00 52.55 56.32 1x66 s ASP 23 Cb 0.00 -2.66 0.45 0.00 1.01 0.00 0.00 42.92 41.71 1x66 s ASP 23 CO 0.00 -0.86 1.68 1.55 0.21 0.00 0.00 175.17 177.76 1x66 h PRO 24 N 2.98 0.16 -0.00 8.23 0.13 -1.85 -2.88 132.00 138.77 1x66 h PRO 24 Ca -0.51 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1x66 h PRO 24 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1x66 h PRO 24 CO 0.64 0.60 0.05 1.79 -0.23 0.00 0.00 178.00 180.85 1x66 h THR 25 N 0.13 0.03 -0.14 1.56 1.35 -1.92 0.24 112.91 114.17 1x66 h THR 25 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 1x66 h THR 25 Cb 0.88 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1x66 h THR 25 CO 0.07 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.52 1x66 n LEU 26 N -3.10 1.12 -4.67 3.87 4.77 -1.09 -4.19 117.00 113.71 1x66 n LEU 26 Ca -0.03 -0.49 -0.41 0.00 -0.03 0.00 0.00 56.01 55.05 1x66 n LEU 26 Cb 0.12 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1x66 n LEU 26 CO 0.19 0.25 0.57 0.26 -1.33 0.00 0.00 177.39 177.33 1x66 s TRP 27 N -1.82 3.41 0.80 -1.77 0.51 0.85 -4.84 118.94 116.08 1x66 s TRP 27 Ca 0.27 1.19 -0.14 0.00 -2.12 0.00 0.00 56.10 55.30 1x66 s TRP 27 Cb 0.14 -2.98 0.19 0.00 -0.81 0.00 0.00 33.47 30.01 1x66 s TRP 27 CO 0.21 -0.24 0.88 0.25 -0.51 0.00 0.00 176.95 177.54 1x66 n THR 28 N 4.76 0.00 0.27 2.01 -2.24 -1.26 -0.07 114.28 117.74 1x66 n THR 28 Ca 0.03 -0.53 0.16 0.00 -2.27 0.00 0.00 64.05 61.44 1x66 n THR 28 Cb 0.49 -1.41 0.78 0.00 -2.10 0.00 0.00 70.33 68.09 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 0.04 -0.78 4.15 -1.94 -2.56 115.11 114.02 1x66 h GLN 29 Ca -0.31 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 58.74 1x66 h GLN 29 Cb 0.89 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.53 1x66 h GLN 29 CO 0.21 0.00 -2.19 -1.91 -1.93 0.00 0.00 178.83 173.01 1x66 n GLU 30 N -2.60 0.67 -0.05 1.69 4.07 -1.26 -4.28 120.64 118.88 1x66 n GLU 30 Ca -0.01 0.26 -0.08 0.00 -0.06 0.00 0.00 57.16 57.27 1x66 n GLU 30 Cb 0.10 -1.61 -0.02 0.00 -0.06 0.00 0.00 31.44 29.86 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 -0.24 -0.30 -0.91 4.31 3.86 -1.79 0.01 115.15 120.09 1x66 h HIS 31 Ca -0.52 0.03 0.26 0.00 -1.16 0.00 0.00 60.37 58.97 1x66 h HIS 31 Cb 1.83 0.17 -0.04 0.00 1.06 0.00 0.00 27.41 30.43 1x66 h HIS 31 CO 0.04 -0.19 0.65 0.28 0.86 0.00 0.00 177.93 179.57 1x66 h VAL 32 N -0.10 0.56 0.13 2.45 2.07 -1.69 0.18 116.25 119.85 1x66 h VAL 32 Ca 0.12 -0.02 -0.25 0.00 0.82 0.00 0.00 66.70 67.37 1x66 h VAL 32 Cb 0.29 0.50 0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1x66 h VAL 32 CO -0.29 0.01 -1.05 0.03 0.02 0.00 0.00 177.57 176.29 1x66 h ARG 33 N 0.06 0.49 0.32 1.57 3.08 -1.23 -3.07 114.38 115.60 1x66 h ARG 33 Ca 0.44 -0.70 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 1x66 h ARG 33 Cb 1.65 0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.95 1x66 h ARG 33 CO -0.04 1.31 -0.15 1.96 -1.07 0.00 0.00 179.97 181.98 1x66 h GLN 34 N 0.01 -0.41 -0.74 0.04 4.20 0.25 -2.74 115.11 115.73 1x66 h GLN 34 Ca -0.17 0.03 0.19 0.00 0.06 0.00 0.00 58.65 58.76 1x66 h GLN 34 Cb 1.78 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 29.61 1x66 h GLN 34 CO 0.20 -0.10 0.52 2.35 -0.67 0.00 0.00 178.83 181.12 1x66 h TRP 35 N -0.73 0.21 0.55 2.96 7.01 -0.92 -1.66 115.95 123.38 1x66 h TRP 35 Ca -0.04 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.94 1x66 h TRP 35 Cb 0.49 -0.06 0.01 0.00 -2.10 0.00 0.00 29.16 27.49 1x66 h TRP 35 CO 0.02 0.07 -0.26 1.25 -2.79 0.00 0.00 178.44 176.72 1x66 h LEU 36 N 0.17 -0.63 -1.99 0.65 5.85 -1.41 -1.69 115.31 116.26 1x66 h LEU 36 Ca 0.36 0.02 0.19 0.00 0.84 0.00 0.00 57.88 59.30 1x66 h LEU 36 Cb 1.18 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 1x66 h LEU 36 CO -0.06 -0.36 0.52 -0.33 -0.34 0.00 0.00 178.44 177.87 1x66 h GLU 37 N -0.92 0.00 0.54 1.25 5.08 -1.15 -1.60 114.58 117.78 1x66 h GLU 37 Ca -0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1x66 h GLU 37 Cb 0.57 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1x66 h GLU 37 CO 0.12 0.00 -0.26 2.35 -1.00 0.00 0.00 179.01 180.22 1x66 h TRP 38 N 0.00 -0.67 -0.31 4.33 7.01 -1.18 -2.01 115.95 123.12 1x66 h TRP 38 Ca 0.32 -0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.39 1x66 h TRP 38 Cb 1.36 0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 28.63 1x66 h TRP 38 CO 0.00 -0.40 0.32 0.00 -2.79 0.00 0.00 178.44 175.57 1x66 h ALA 39 N -1.13 2.00 0.11 2.65 0.00 -0.62 0.30 119.26 122.56 1x66 h ALA 39 Ca -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1x66 h ALA 39 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1x66 h ALA 39 CO 0.12 -0.47 -0.05 0.82 0.00 0.00 0.00 179.25 179.67 1x66 h ILE 40 N 0.00 1.03 0.00 0.00 2.04 -1.26 -0.17 117.51 119.16 1x66 h ILE 40 Ca 0.15 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.71 1x66 h ILE 40 Cb 0.77 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1x66 h ILE 40 CO -0.00 0.28 0.00 2.29 0.00 0.00 0.00 178.15 180.72 1x66 n LYS 41 N -4.86 0.52 -0.11 2.37 -0.00 -0.76 -0.20 118.16 115.12 1x66 n LYS 41 Ca -0.08 0.02 -0.17 0.00 -0.00 0.00 0.00 58.31 58.08 1x66 n LYS 41 Cb 0.28 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 33.75 1x66 n LYS 41 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1x66 n GLU 42 N -1.20 0.55 -0.39 -1.58 4.07 0.98 -4.47 120.64 118.60 1x66 n GLU 42 Ca 0.15 0.29 0.06 0.00 -0.06 0.00 0.00 57.16 57.60 1x66 n GLU 42 Cb 0.18 -1.50 0.23 0.00 -0.06 0.00 0.00 31.44 30.28 1x66 n GLU 42 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1x66 n TYR 43 N -4.40 0.95 -3.35 4.31 4.01 -0.08 -4.95 117.16 113.65 1x66 n TYR 43 Ca -0.30 -0.38 -0.12 0.00 -0.16 0.00 0.00 57.90 56.95 1x66 n TYR 43 Cb 0.64 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 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 0.64 -6.57 -4.76 7.72 7.64 -0.44 -4.99 113.62 112.87 1x66 n SER 44 Ca 0.16 -0.39 -0.33 0.00 1.01 0.00 0.00 58.87 59.33 1x66 n SER 44 Cb 0.61 -3.75 -0.07 0.00 -1.01 0.00 0.00 64.21 59.99 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 -4.23 3.81 0.15 -3.43 1.43 0.72 -5.03 118.68 112.11 1x66 s LEU 45 Ca 0.03 0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1x66 s LEU 45 Cb -0.01 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 1x66 s LEU 45 CO 0.81 0.28 0.07 -0.04 0.23 0.00 0.00 176.35 177.70 1x66 s MET 46 N -1.69 0.99 -1.58 1.70 -1.94 -1.26 -4.79 119.30 110.72 1x66 s MET 46 Ca 0.22 -1.48 0.00 0.00 -1.71 0.00 0.00 55.69 52.72 1x66 s MET 46 Cb -0.12 0.24 0.00 0.00 2.01 0.00 0.00 34.83 36.96 1x66 s MET 46 CO 0.13 -0.29 0.00 0.39 -0.01 0.00 0.00 175.02 175.24 1x66 n GLU 47 N -0.13 -1.34 -3.79 2.03 1.02 -1.26 -4.60 120.64 112.57 1x66 n GLU 47 Ca -0.04 0.91 -0.36 0.00 -0.02 0.00 0.00 57.16 57.65 1x66 n GLU 47 Cb 0.64 -5.32 -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 -2.81 5.44 -0.73 -3.67 2.07 -1.26 -3.94 121.20 116.29 1x66 s ILE 48 Ca 0.00 0.27 -0.17 0.00 -1.41 0.00 0.00 60.65 59.34 1x66 s ILE 48 Cb 0.00 -3.46 0.14 0.00 0.13 0.00 0.00 42.46 39.28 1x66 s ILE 48 CO 0.00 0.55 0.82 -0.62 -1.91 0.00 0.00 174.94 173.78 1x66 s ASP 49 N -0.56 6.45 0.50 4.50 2.15 0.86 -4.87 116.67 125.70 1x66 s ASP 49 Ca 0.14 -1.93 0.27 0.00 0.43 0.00 0.00 52.55 51.45 1x66 s ASP 49 Cb -0.12 -2.30 1.31 0.00 -0.30 0.00 0.00 42.92 41.51 1x66 s ASP 49 CO 0.03 -0.95 2.00 0.71 -0.17 0.00 0.00 175.17 176.79 1x66 h THR 50 N 5.59 0.54 -0.36 1.71 1.35 -1.97 -2.61 112.91 117.16 1x66 h THR 50 Ca -0.08 -0.70 -0.04 0.00 -0.55 0.00 0.00 66.41 65.05 1x66 h THR 50 Cb 1.06 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 68.93 1x66 h THR 50 CO 1.01 0.14 0.07 -1.28 -0.25 0.00 0.00 175.52 175.21 1x66 h SER 51 N 0.00 0.49 -0.10 5.36 0.87 -1.97 -1.71 113.55 116.48 1x66 h SER 51 Ca -0.00 -0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1x66 h SER 51 Cb 0.46 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1x66 h SER 51 CO 0.02 0.51 0.15 0.15 -0.53 0.00 0.00 176.83 177.13 1x66 h PHE 52 N 0.52 0.00 -0.14 2.24 3.57 -1.86 0.58 116.94 121.85 1x66 h PHE 52 Ca 0.12 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1x66 h PHE 52 Cb 0.23 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1x66 h PHE 52 CO 0.01 0.00 -0.07 1.19 -2.23 0.00 0.00 178.31 177.21 1x66 n PHE 53 N -3.58 0.49 0.26 0.41 3.01 -0.67 -4.60 117.46 112.78 1x66 n PHE 53 Ca -0.00 -1.11 0.12 0.00 1.01 0.00 0.00 57.45 57.46 1x66 n PHE 53 Cb 0.25 -0.27 0.69 0.00 -0.01 0.00 0.00 39.48 40.14 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 0.88 0.00 0.00 -1.08 3.07 -0.59 -3.21 115.11 114.18 1x66 h GLN 54 Ca 0.04 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.61 1x66 h GLN 54 Cb 1.26 0.00 -0.33 0.00 0.08 0.00 0.00 27.48 28.48 1x66 h GLN 54 CO 0.14 0.13 -0.91 0.27 0.09 0.00 0.00 178.83 178.55 1x66 n ASN 55 N -3.70 0.69 -4.37 0.06 6.94 -1.26 -4.93 115.26 108.68 1x66 n ASN 55 Ca -0.02 -1.99 -0.45 0.00 -0.02 0.00 0.00 54.58 52.10 1x66 n ASN 55 Cb 0.25 -0.22 -0.04 0.00 -2.36 0.00 0.00 39.78 37.41 1x66 n ASN 55 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 1x66 s MET 56 N 0.00 3.05 0.64 -3.83 1.75 -1.21 -5.00 119.30 114.70 1x66 s MET 56 Ca 0.28 -1.33 -0.18 0.00 -1.25 0.00 0.00 55.69 53.21 1x66 s MET 56 Cb 0.32 -4.27 -0.01 0.00 2.84 0.00 0.00 34.83 33.70 1x66 s MET 56 CO -0.14 -1.55 1.28 -0.40 -0.65 0.00 0.00 175.02 173.56 1x66 n ASP 57 N 6.33 2.01 -0.41 1.11 5.68 -1.26 -4.61 116.55 125.39 1x66 n ASP 57 Ca -0.09 0.83 0.34 0.00 -0.50 0.00 0.00 54.79 55.36 1x66 n ASP 57 Cb 0.42 -1.55 0.64 0.00 -1.14 0.00 0.00 41.12 39.49 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 0.54 0.96 0.80 6.12 0.00 -0.63 0.34 103.07 111.21 1x66 h GLY 58 Ca -0.51 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 1x66 h GLY 58 CO 0.53 -0.22 -0.00 0.50 0.00 0.00 0.00 176.54 177.34 1x66 h LYS 59 N 0.16 0.31 0.00 4.80 1.79 -1.77 0.14 116.57 122.00 1x66 h LYS 59 Ca 0.72 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 59.09 1x66 h LYS 59 Cb 2.31 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.93 1x66 h LYS 59 CO -0.28 0.53 0.00 0.39 -1.08 0.00 0.00 179.45 179.00 1x66 n GLU 60 N -4.72 0.10 -0.10 3.15 -0.58 0.98 -2.67 120.64 116.80 1x66 n GLU 60 Ca -0.05 0.23 -0.21 0.00 -0.42 0.00 0.00 57.16 56.71 1x66 n GLU 60 Cb 0.22 -1.66 -0.11 0.00 -0.57 0.00 0.00 31.44 29.33 1x66 n GLU 60 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1x66 n LEU 61 N -1.85 1.86 0.31 -4.62 -0.00 0.13 -3.41 117.00 109.42 1x66 n LEU 61 Ca 0.04 0.43 0.20 0.00 -0.00 0.00 0.00 56.01 56.69 1x66 n LEU 61 Cb 0.28 -0.95 1.03 0.00 -0.00 0.00 0.00 43.42 43.77 1x66 n LEU 61 CO 0.22 0.23 1.11 0.00 -0.00 0.00 0.00 177.39 178.94 1x66 h LYS 63 N 0.00 0.00 -6.67 0.00 2.10 -1.66 -3.47 116.57 106.87 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 0.14 0.00 0.16 0.00 -0.90 0.00 0.00 32.23 31.64 1x66 h LYS 63 CO 0.00 0.33 -0.09 -1.33 -2.00 0.00 0.00 179.45 176.36 1x66 n MET 64 N -2.98 0.77 -4.05 0.07 2.81 -0.40 -5.01 117.12 108.33 1x66 n MET 64 Ca -0.05 0.30 -0.27 0.00 -1.81 0.00 0.00 57.70 55.87 1x66 n MET 64 Cb 0.78 -1.95 -0.03 0.00 -0.71 0.00 0.00 33.22 31.31 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 -1.16 4.54 0.20 7.83 0.01 -1.26 -4.95 114.94 120.16 1x66 s ASN 65 Ca 0.71 -1.25 -0.11 0.00 -0.71 0.00 0.00 52.86 51.50 1x66 s ASN 65 Cb -0.45 0.22 0.26 0.00 0.41 0.00 0.00 41.25 41.69 1x66 s ASN 65 CO 0.51 -0.94 1.70 0.50 -1.51 0.00 0.00 177.10 177.36 1x66 h LYS 66 N 0.98 0.22 0.49 -0.60 1.63 -1.98 0.77 116.57 118.08 1x66 h LYS 66 Ca -0.39 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.38 1x66 h LYS 66 Cb 1.29 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.85 1x66 h LYS 66 CO 0.62 0.14 -0.45 0.93 -3.45 0.00 0.00 179.45 177.24 1x66 h GLU 67 N 0.22 -0.91 -0.93 1.90 4.39 -1.98 0.23 114.58 117.50 1x66 h GLU 67 Ca 0.30 0.06 0.12 0.00 0.34 0.00 0.00 59.36 60.18 1x66 h GLU 67 Cb 0.44 0.21 -0.09 0.00 -0.10 0.00 0.00 28.75 29.21 1x66 h GLU 67 CO -0.40 -0.61 0.56 -0.44 -1.16 0.00 0.00 179.01 176.96 1x66 h ASP 68 N -0.94 0.79 -0.46 1.42 3.32 -1.85 -0.51 116.42 118.19 1x66 h ASP 68 Ca -0.05 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1x66 h ASP 68 Cb 0.82 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 1x66 h ASP 68 CO -0.04 0.40 -0.01 -0.26 -1.72 0.00 0.00 179.24 177.61 1x66 h PHE 69 N 0.86 0.95 0.00 4.55 0.04 -0.39 -2.16 116.94 120.80 1x66 h PHE 69 Ca 0.47 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 61.10 1x66 h PHE 69 Cb 0.52 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1x66 h PHE 69 CO -0.03 0.87 0.00 -0.07 -0.60 0.00 0.00 178.31 178.48 1x66 h LEU 70 N 0.82 0.00 -0.43 1.54 3.38 0.10 0.25 115.31 120.97 1x66 h LEU 70 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1x66 h LEU 70 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1x66 h LEU 70 CO 0.02 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.09 1x66 n ARG 71 N -2.76 1.29 0.00 1.13 1.74 -0.71 -4.09 116.66 113.26 1x66 n ARG 71 Ca 0.01 -0.43 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 1x66 n ARG 71 Cb 0.26 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 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 -0.40 1.96 -2.43 7.54 0.00 -0.76 -5.03 120.51 121.40 1x66 n ALA 72 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.39 1x66 n ALA 72 Cb 0.18 0.14 -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 -1.28 1.86 1.04 0.00 -1.32 0.80 -0.09 115.64 116.65 1x66 s THR 73 Ca 0.00 -2.01 -0.12 0.00 -1.21 0.00 0.00 61.69 58.36 1x66 s THR 73 Cb 0.00 -1.92 0.21 0.00 -1.51 0.00 0.00 72.50 69.29 1x66 s THR 73 CO 0.00 -0.37 1.08 0.28 -2.21 0.00 0.00 174.62 173.40 1x66 s THR 74 N -2.24 2.15 0.09 5.08 -1.32 -1.25 -4.00 115.64 114.16 1x66 s THR 74 Ca 0.18 0.05 -0.27 0.00 -1.21 0.00 0.00 61.69 60.44 1x66 s THR 74 Cb -0.05 -2.18 -0.13 0.00 -1.51 0.00 0.00 72.50 68.63 1x66 s THR 74 CO 0.07 -0.06 1.67 0.25 -2.21 0.00 0.00 174.62 174.34 1x66 h LEU 75 N -2.20 -0.48 -0.54 9.08 5.85 -1.94 0.54 115.31 125.62 1x66 h LEU 75 Ca -0.54 0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.33 1x66 h LEU 75 Cb 1.31 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 42.39 1x66 h LEU 75 CO 0.49 -0.28 -0.15 0.22 -0.34 0.00 0.00 178.44 178.37 1x66 h TYR 76 N -0.43 -0.33 -0.56 1.25 5.03 -1.99 0.62 116.97 120.56 1x66 h TYR 76 Ca -0.01 0.05 -0.06 0.00 2.58 0.00 0.00 58.73 61.29 1x66 h TYR 76 Cb 0.38 0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.87 1x66 h TYR 76 CO -0.12 -0.25 0.11 -0.91 -1.32 0.00 0.00 178.16 175.67 1x66 h ASN 77 N -0.02 0.82 -0.70 -2.11 2.35 -1.86 -2.81 115.58 111.25 1x66 h ASN 77 Ca 0.26 -0.16 0.06 0.00 -0.55 0.00 0.00 56.30 55.91 1x66 h ASN 77 Cb 0.41 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.51 1x66 h ASN 77 CO -0.57 0.82 0.40 0.74 -1.65 0.00 0.00 177.43 177.17 1x66 h THR 78 N 0.83 0.97 -0.75 2.81 2.02 0.14 -1.05 112.91 117.88 1x66 h THR 78 Ca 0.18 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1x66 h THR 78 Cb 0.34 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 1x66 h THR 78 CO 0.00 0.13 0.35 -0.33 0.37 0.00 0.00 175.52 176.04 1x66 h GLU 79 N 0.73 1.08 0.34 6.66 4.39 -1.03 -0.27 114.58 126.48 1x66 h GLU 79 Ca 0.32 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1x66 h GLU 79 Cb 0.20 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1x66 h GLU 79 CO -0.19 0.84 -0.17 0.28 -1.16 0.00 0.00 179.01 178.62 1x66 h VAL 80 N 1.07 0.66 0.30 3.13 2.07 -1.18 0.24 116.25 122.54 1x66 h VAL 80 Ca 0.26 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1x66 h VAL 80 Cb 0.13 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1x66 h VAL 80 CO -0.03 0.08 -0.20 -0.07 0.02 0.00 0.00 177.57 177.37 1x66 h LEU 81 N -0.70 -0.52 -0.65 2.57 3.38 -1.14 0.20 115.31 118.44 1x66 h LEU 81 Ca -0.05 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1x66 h LEU 81 Cb 0.49 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 1x66 h LEU 81 CO 0.08 -0.32 0.33 -0.07 0.09 0.00 0.00 178.44 178.54 1x66 h LEU 82 N -0.50 0.44 -0.33 1.67 -0.00 -1.10 0.16 115.31 115.66 1x66 h LEU 82 Ca -0.03 0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 57.88 1x66 h LEU 82 Cb 0.42 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.04 1x66 h LEU 82 CO 0.01 0.27 0.11 -1.28 -0.00 0.00 0.00 178.44 177.56 1x66 h SER 83 N 0.59 0.48 0.57 -0.43 0.87 -0.66 0.17 113.55 115.14 1x66 h SER 83 Ca 0.31 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1x66 h SER 83 Cb 0.27 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1x66 h SER 83 CO -0.23 0.55 -0.28 -0.74 -0.53 0.00 0.00 176.83 175.61 1x66 h HIS 84 N 0.38 -0.71 -0.03 2.24 -0.00 -0.01 -2.82 115.15 114.20 1x66 h HIS 84 Ca 0.11 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.45 1x66 h HIS 84 Cb 0.24 0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 27.88 1x66 h HIS 84 CO 0.01 -0.41 -0.03 1.25 -0.00 0.00 0.00 177.93 178.75 1x66 h LEU 85 N -0.87 0.04 -1.45 0.26 5.85 -0.71 -2.05 115.31 116.38 1x66 h LEU 85 Ca -0.08 -0.00 0.18 0.00 0.84 0.00 0.00 57.88 58.82 1x66 h LEU 85 Cb 0.63 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 1x66 h LEU 85 CO 0.13 0.08 0.58 0.28 -0.34 0.00 0.00 178.44 179.18 1x66 h SER 86 N 0.05 0.47 0.00 1.25 0.02 -0.39 0.25 113.55 115.20 1x66 h SER 86 Ca 0.01 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1x66 h SER 86 Cb 0.09 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 1x66 h SER 86 CO 0.00 0.20 -0.20 0.22 -1.14 0.00 0.00 176.83 175.92 1x66 h TYR 87 N 0.48 0.00 -0.76 3.45 3.20 -1.36 -3.12 116.97 118.85 1x66 h TYR 87 Ca 0.46 0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.55 1x66 h TYR 87 Cb 1.03 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.27 1x66 h TYR 87 CO -0.00 0.51 0.56 -0.07 -1.64 0.00 0.00 178.16 177.51 1x66 h LEU 88 N -1.00 0.00 -0.27 2.82 4.07 -1.32 0.27 115.31 119.89 1x66 h LEU 88 Ca -0.04 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.72 1x66 h LEU 88 Cb 0.55 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.29 1x66 h LEU 88 CO -0.02 0.00 -0.86 0.03 -1.08 0.00 0.00 178.44 176.51 1x66 h ARG 89 N 0.00 0.39 -0.84 1.13 3.08 -0.62 -3.13 114.38 114.40 1x66 h ARG 89 Ca 0.36 -0.38 -0.21 0.00 0.07 0.00 0.00 59.98 59.82 1x66 h ARG 89 Cb 1.47 0.10 -0.12 0.00 0.08 0.00 0.00 29.97 31.50 1x66 h ARG 89 CO -0.00 1.04 0.26 0.39 -1.07 0.00 0.00 179.97 180.59 1x66 n GLU 90 N -3.77 3.04 -3.13 0.04 -0.58 0.86 -4.92 120.64 112.17 1x66 n GLU 90 Ca -0.06 -2.44 -0.18 0.00 -0.42 0.00 0.00 57.16 54.07 1x66 n GLU 90 Cb 0.78 -2.02 -0.01 0.00 -0.57 0.00 0.00 31.44 29.63 1x66 n GLU 90 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1x66 n SER 91 N -0.16 2.27 -2.75 1.62 3.41 -0.68 -4.74 113.62 112.58 1x66 n SER 91 Ca 0.35 -2.26 -0.19 0.00 -0.26 0.00 0.00 58.87 56.51 1x66 n SER 91 Cb 1.22 0.02 0.04 0.00 -0.26 0.00 0.00 64.21 65.23 1x66 n SER 91 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x66 n SER 92 N -1.77 -5.54 -4.20 4.04 2.88 -1.26 -4.91 113.62 102.86 1x66 n SER 92 Ca -0.04 -0.31 -0.44 0.00 -1.33 0.00 0.00 58.87 56.75 1x66 n SER 92 Cb 0.40 -4.30 0.00 0.00 -0.75 0.00 0.00 64.21 59.57 1x66 n SER 92 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x66 n SER 93 N -2.00 5.62 -2.30 -3.46 7.64 -1.26 -5.00 113.62 112.86 1x66 n SER 93 Ca -0.06 -3.14 -0.02 0.00 1.01 0.00 0.00 58.87 56.66 1x66 n SER 93 Cb 0.59 -1.41 0.01 0.00 -1.01 0.00 0.00 64.21 62.38 1x66 n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x66 n GLY 94 N 2.67 1.26 3.73 0.23 0.00 -1.26 -5.10 105.19 106.72 1x66 n GLY 94 Ca 0.30 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.51 1.49 -0.47 1.61 0.04 -1.26 -5.04 135.00 128.86 1x66 s PRO 95 Ca 0.07 0.90 0.06 0.00 0.04 0.00 0.00 61.00 62.07 1x66 s PRO 95 Cb -0.00 -1.83 0.23 0.00 0.04 0.00 0.00 34.50 32.93 1x66 s PRO 95 CO 0.05 -2.10 0.73 0.45 0.04 0.00 0.00 177.00 176.17 1x66 n SER 96 N -3.80 -2.09 -4.88 6.66 2.88 -1.26 -5.14 113.62 106.00 1x66 n SER 96 Ca 0.07 -3.02 -0.29 0.00 -1.33 0.00 0.00 58.87 54.31 1x66 n SER 96 Cb 0.55 1.05 -0.04 0.00 -0.75 0.00 0.00 64.21 65.01 1x66 n SER 96 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x66 s SER 97 N -0.97 6.04 0.00 -3.46 0.01 -1.26 -5.36 113.70 108.70 1x66 s SER 97 Ca 0.32 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.70 1x66 s SER 97 Cb 0.16 -1.76 0.00 0.00 0.21 0.00 0.00 66.02 64.63 1x66 s SER 97 CO -0.18 0.12 0.01 0.61 0.41 0.00 0.00 173.24 174.22