#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 0.06 -3.64 1.61 7.64 -1.26 -5.15 113.62 112.88 1x66 n SER 2 Ca 0.00 0.20 -0.04 0.00 1.01 0.00 0.00 58.87 60.04 1x66 n SER 2 Cb 0.00 0.12 -0.07 0.00 -1.01 0.00 0.00 64.21 63.25 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 -4.71 -0.28 0.00 6.43 0.15 -1.26 -5.18 113.70 108.85 1x66 s SER 3 Ca 0.00 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1x66 s SER 3 Cb 0.00 0.76 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 1x66 s SER 3 CO 0.00 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1x66 n GLY 4 N 2.54 0.33 2.80 9.45 0.00 -1.26 -4.97 105.19 114.08 1x66 n GLY 4 Ca -0.14 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 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 2.22 5.47 -4.32 1.61 3.41 -1.26 -5.02 113.62 115.73 1x66 n SER 5 Ca 0.00 -3.65 -0.28 0.00 -0.26 0.00 0.00 58.87 54.68 1x66 n SER 5 Cb 0.00 -0.81 -0.14 0.00 -0.26 0.00 0.00 64.21 63.00 1x66 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x66 s SER 6 N -2.60 2.95 -0.42 4.04 0.15 -1.26 -5.07 113.70 111.49 1x66 s SER 6 Ca 0.44 -0.60 0.02 0.00 0.70 0.00 0.00 55.95 56.51 1x66 s SER 6 Cb 0.23 -0.24 0.25 0.00 -1.71 0.00 0.00 66.02 64.54 1x66 s SER 6 CO -0.11 0.21 1.03 0.61 1.20 0.00 0.00 173.24 176.17 1x66 n GLY 7 N 1.62 -0.83 3.69 9.45 0.00 -1.26 -5.14 105.19 112.73 1x66 n GLY 7 Ca -0.17 0.58 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 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 0.50 0.74 0.25 1.61 0.04 -1.26 -4.97 135.00 131.91 1x66 s PRO 8 Ca 0.29 0.64 0.02 0.00 0.04 0.00 0.00 61.00 61.99 1x66 s PRO 8 Cb 0.20 -1.76 0.31 0.00 0.04 0.00 0.00 34.50 33.28 1x66 s PRO 8 CO -0.16 -2.55 1.62 -1.00 0.04 0.00 0.00 177.00 174.96 1x66 h PRO 9 N -1.76 0.39 -3.06 0.56 0.13 -2.01 -3.49 132.00 122.75 1x66 h PRO 9 Ca -0.53 -0.21 0.34 0.00 -0.87 0.00 0.00 66.00 64.74 1x66 h PRO 9 Cb 1.31 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.32 1x66 h PRO 9 CO 0.56 0.76 -0.78 -1.71 -0.23 0.00 0.00 178.00 176.60 1x66 n ASN 10 N -4.00 -7.93 -4.90 1.44 2.85 -1.26 -4.87 115.26 96.59 1x66 n ASN 10 Ca -0.02 0.89 -0.34 0.00 -0.11 0.00 0.00 54.58 55.01 1x66 n ASN 10 Cb 0.52 -4.24 -0.05 0.00 1.24 0.00 0.00 39.78 37.26 1x66 n ASN 10 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1x66 s MET 11 N -3.02 3.44 0.06 1.20 0.23 -1.26 -5.07 119.30 114.88 1x66 s MET 11 Ca 0.00 -0.30 -0.31 0.00 -1.03 0.00 0.00 55.69 54.05 1x66 s MET 11 Cb 0.00 -3.10 -0.06 0.00 -1.53 0.00 0.00 34.83 30.14 1x66 s MET 11 CO 0.00 0.68 1.23 0.99 -2.03 0.00 0.00 175.02 175.89 1x66 s THR 12 N -1.31 3.93 0.21 3.16 2.01 -1.26 -4.95 115.64 117.43 1x66 s THR 12 Ca 0.27 1.38 -0.23 0.00 0.31 0.00 0.00 61.69 63.42 1x66 s THR 12 Cb -0.13 -3.88 0.06 0.00 0.01 0.00 0.00 72.50 68.56 1x66 s THR 12 CO 0.18 0.10 0.91 0.28 -0.69 0.00 0.00 174.62 175.40 1x66 s THR 13 N 1.14 0.00 0.02 -0.82 -1.32 -1.26 -5.05 115.64 108.35 1x66 s THR 13 Ca 0.60 -0.75 -0.10 0.00 -1.21 0.00 0.00 61.69 60.22 1x66 s THR 13 Cb -0.30 -2.24 -0.05 0.00 -1.51 0.00 0.00 72.50 68.40 1x66 s THR 13 CO 0.29 0.00 1.15 -1.13 -2.21 0.00 0.00 174.62 172.72 1x66 h ASN 14 N 2.00 -0.39 0.00 8.08 -0.00 -1.94 -3.41 115.58 119.91 1x66 h ASN 14 Ca -0.25 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.09 1x66 h ASN 14 Cb 1.23 0.13 0.00 0.00 -0.00 0.00 0.00 38.32 39.69 1x66 h ASN 14 CO 0.28 -0.18 0.00 1.21 -0.00 0.00 0.00 177.43 178.74 1x66 n GLU 15 N -3.18 0.00 0.00 6.67 2.13 -1.26 -5.06 120.64 119.95 1x66 n GLU 15 Ca -0.03 0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1x66 n GLU 15 Cb 0.13 -0.45 0.00 0.00 0.27 0.00 0.00 31.44 31.39 1x66 n GLU 15 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1x66 n ARG 16 N -1.95 0.00 -0.71 5.31 1.74 -1.26 -5.15 116.66 114.64 1x66 n ARG 16 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 1x66 n ARG 16 Cb 0.00 0.00 0.16 0.00 -1.02 0.00 0.00 32.46 31.60 1x66 n ARG 16 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1x66 n ARG 17 N -0.71 -1.02 -3.17 5.56 -4.01 -1.26 -4.88 116.66 107.17 1x66 n ARG 17 Ca 0.00 -0.26 -0.32 0.00 -1.04 0.00 0.00 57.85 56.22 1x66 n ARG 17 Cb 0.00 -1.87 -0.06 0.00 -3.04 0.00 0.00 32.46 27.50 1x66 n ARG 17 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 1x66 s VAL 18 N -2.35 4.74 -0.50 8.89 1.01 -1.26 -4.88 120.40 126.04 1x66 s VAL 18 Ca 0.58 0.83 0.03 0.00 0.00 0.00 0.00 61.98 63.42 1x66 s VAL 18 Cb -0.18 -3.62 0.15 0.00 0.00 0.00 0.00 36.38 32.72 1x66 s VAL 18 CO 0.66 -0.19 0.30 -0.63 0.00 0.00 0.00 175.10 175.24 1x66 s ILE 19 N -1.98 1.73 0.10 2.22 1.01 -1.26 -5.10 121.20 117.92 1x66 s ILE 19 Ca 0.53 -3.01 0.04 0.00 0.00 0.00 0.00 60.65 58.21 1x66 s ILE 19 Cb -0.10 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1x66 s ILE 19 CO 0.19 -0.95 -0.11 0.68 0.00 0.00 0.00 174.94 174.75 1x66 s VAL 20 N -0.13 1.03 0.59 2.92 -7.23 -1.26 -5.12 120.40 111.19 1x66 s VAL 20 Ca 0.21 -1.62 -0.18 0.00 -1.81 0.00 0.00 61.98 58.58 1x66 s VAL 20 Cb -0.17 -1.36 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 1x66 s VAL 20 CO -0.06 -0.50 1.12 -2.16 -0.31 0.00 0.00 175.10 173.19 1x66 s PRO 21 N -2.67 3.13 0.02 4.82 0.04 -1.26 -4.99 135.00 134.09 1x66 s PRO 21 Ca 0.05 1.53 -0.05 0.00 0.04 0.00 0.00 61.00 62.57 1x66 s PRO 21 Cb -0.04 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1x66 s PRO 21 CO 0.01 -1.01 1.08 0.00 0.04 0.00 0.00 177.00 177.12 1x66 h ALA 22 N 0.74 -0.63 -1.15 8.56 0.00 -2.01 -3.39 119.26 121.38 1x66 h ALA 22 Ca -0.49 -0.02 -0.65 0.00 0.00 0.00 0.00 54.91 53.75 1x66 h ALA 22 Cb 1.26 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 1x66 h ALA 22 CO 0.56 -0.65 1.44 -0.25 0.00 0.00 0.00 179.25 180.35 1x66 n ASP 23 N -2.89 2.17 0.08 0.00 9.92 -1.26 -4.72 116.55 119.85 1x66 n ASP 23 Ca -0.01 0.35 0.10 0.00 -0.53 0.00 0.00 54.79 54.70 1x66 n ASP 23 Cb 0.06 -1.29 0.42 0.00 -0.64 0.00 0.00 41.12 39.67 1x66 n ASP 23 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1x66 n PRO 24 N 8.29 0.12 0.20 -0.24 -0.04 -1.26 -2.29 135.00 139.78 1x66 n PRO 24 Ca 0.41 0.36 0.10 0.00 -0.04 0.00 0.00 63.50 64.33 1x66 n PRO 24 Cb 0.25 -1.73 0.14 0.00 -0.04 0.00 0.00 33.50 32.12 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 0.16 -0.00 0.52 1.35 -1.87 -3.12 112.91 109.96 1x66 h THR 25 Ca 0.00 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 1x66 h THR 25 Cb 0.31 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1x66 h THR 25 CO 0.00 0.09 -0.25 0.18 -0.25 0.00 0.00 175.52 175.29 1x66 n LEU 26 N -3.12 0.67 -4.72 3.87 4.77 -0.97 -3.21 117.00 114.30 1x66 n LEU 26 Ca 0.04 -0.07 -0.43 0.00 -0.03 0.00 0.00 56.01 55.52 1x66 n LEU 26 Cb 0.57 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1x66 n LEU 26 CO 0.35 0.13 1.28 0.79 -1.33 0.00 0.00 177.39 178.61 1x66 n TRP 27 N -0.99 2.67 -1.83 -1.77 8.01 -1.18 -4.89 117.44 117.46 1x66 n TRP 27 Ca 0.11 0.17 -0.30 0.00 -1.31 0.00 0.00 57.50 56.17 1x66 n TRP 27 Cb 0.32 -2.61 0.21 0.00 -2.01 0.00 0.00 31.31 27.22 1x66 n TRP 27 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 1x66 s THR 28 N 0.68 1.94 0.44 -0.99 -4.23 -1.26 -0.06 115.64 112.16 1x66 s THR 28 Ca 0.72 0.00 0.39 0.00 -1.18 0.00 0.00 61.69 61.62 1x66 s THR 28 Cb -0.54 -2.94 0.40 0.00 1.34 0.00 0.00 72.50 70.76 1x66 s THR 28 CO 0.39 0.00 2.21 -0.61 -0.54 0.00 0.00 174.62 176.07 1x66 h GLN 29 N -1.90 0.00 0.05 3.99 4.15 -1.93 -2.50 115.11 116.97 1x66 h GLN 29 Ca -0.44 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 58.63 1x66 h GLN 29 Cb 1.22 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.87 1x66 h GLN 29 CO 0.31 0.00 -2.01 -1.91 -1.93 0.00 0.00 178.83 173.29 1x66 n GLU 30 N -2.92 0.66 -0.10 1.69 2.13 -1.26 -4.21 120.64 116.64 1x66 n GLU 30 Ca -0.02 0.32 -0.06 0.00 0.66 0.00 0.00 57.16 58.05 1x66 n GLU 30 Cb 0.09 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.16 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 -0.38 -0.32 -0.95 4.31 3.86 -1.80 0.37 115.15 120.24 1x66 h HIS 31 Ca -0.49 0.04 0.22 0.00 -1.16 0.00 0.00 60.37 58.98 1x66 h HIS 31 Cb 1.76 0.20 -0.08 0.00 1.06 0.00 0.00 27.41 30.35 1x66 h HIS 31 CO 0.05 -0.21 0.62 0.28 0.86 0.00 0.00 177.93 179.53 1x66 h VAL 32 N -0.07 0.64 0.09 2.45 2.07 -1.67 0.09 116.25 119.86 1x66 h VAL 32 Ca 0.17 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1x66 h VAL 32 Cb 0.33 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1x66 h VAL 32 CO -0.40 0.08 -0.04 0.03 0.02 0.00 0.00 177.57 177.25 1x66 h ARG 33 N 0.43 -0.12 -0.41 1.57 3.08 -1.16 -2.78 114.38 114.98 1x66 h ARG 33 Ca 0.51 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.65 1x66 h ARG 33 Cb 1.25 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.25 1x66 h ARG 33 CO -0.21 0.41 -0.05 1.96 -1.07 0.00 0.00 179.97 181.00 1x66 h GLN 34 N -0.81 0.05 -0.81 0.04 4.20 -0.31 -0.40 115.11 117.08 1x66 h GLN 34 Ca -0.01 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.74 1x66 h GLN 34 Cb 0.58 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.30 1x66 h GLN 34 CO 0.02 0.03 0.53 2.35 -0.67 0.00 0.00 178.83 181.09 1x66 h TRP 35 N 0.05 0.95 0.85 2.96 7.01 -1.11 -1.75 115.95 124.90 1x66 h TRP 35 Ca 0.20 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.19 1x66 h TRP 35 Cb 0.30 -0.31 0.01 0.00 -2.10 0.00 0.00 29.16 27.06 1x66 h TRP 35 CO -0.32 0.54 -0.41 1.25 -2.79 0.00 0.00 178.44 176.71 1x66 h LEU 36 N 0.97 -0.96 -2.13 0.65 5.85 -0.81 -0.89 115.31 117.99 1x66 h LEU 36 Ca 0.33 0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.15 1x66 h LEU 36 Cb 0.08 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1x66 h LEU 36 CO -0.10 -0.64 0.29 -0.33 -0.34 0.00 0.00 178.44 177.32 1x66 h GLU 37 N -1.23 0.00 0.30 1.25 5.08 -1.12 -1.81 114.58 117.05 1x66 h GLU 37 Ca -0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1x66 h GLU 37 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1x66 h GLU 37 CO 0.19 0.00 -0.14 2.35 -1.00 0.00 0.00 179.01 180.41 1x66 h TRP 38 N 0.00 -0.37 -0.40 4.33 7.01 -0.92 -2.48 115.95 123.11 1x66 h TRP 38 Ca 0.13 -0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.24 1x66 h TRP 38 Cb 0.70 0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.87 1x66 h TRP 38 CO 0.00 -0.16 0.37 0.00 -2.79 0.00 0.00 178.44 175.86 1x66 h ALA 39 N -0.96 2.17 0.29 2.65 0.00 -0.69 0.29 119.26 123.00 1x66 h ALA 39 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1x66 h ALA 39 Cb 0.38 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1x66 h ALA 39 CO 0.07 -0.58 -0.14 0.82 0.00 0.00 0.00 179.25 179.42 1x66 h ILE 40 N 0.00 0.23 0.00 0.00 2.04 -1.37 0.19 117.51 118.60 1x66 h ILE 40 Ca 0.19 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1x66 h ILE 40 Cb 0.94 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1x66 h ILE 40 CO -0.00 0.06 0.00 2.29 0.00 0.00 0.00 178.15 180.50 1x66 n LYS 41 N -5.03 0.06 -0.11 2.37 -0.00 -0.91 -0.10 118.16 114.44 1x66 n LYS 41 Ca -0.06 0.32 -0.21 0.00 -0.00 0.00 0.00 58.31 58.36 1x66 n LYS 41 Cb 0.20 -1.63 -0.09 0.00 -0.00 0.00 0.00 35.03 33.51 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 -1.75 0.55 -0.27 -1.58 4.07 0.99 -4.33 120.64 118.32 1x66 n GLU 42 Ca 0.03 0.45 0.06 0.00 -0.06 0.00 0.00 57.16 57.63 1x66 n GLU 42 Cb 0.18 -1.64 0.19 0.00 -0.06 0.00 0.00 31.44 30.11 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 0.69 -3.76 4.31 4.01 0.65 -4.92 117.16 113.74 1x66 n TYR 43 Ca -0.34 -0.31 -0.24 0.00 -0.16 0.00 0.00 57.90 56.85 1x66 n TYR 43 Cb 0.68 -0.07 0.02 0.00 -0.31 0.00 0.00 39.34 39.65 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 -1.83 -4.83 7.72 7.64 0.86 -4.95 113.62 118.87 1x66 n SER 44 Ca 0.14 -0.91 -0.35 0.00 1.01 0.00 0.00 58.87 58.77 1x66 n SER 44 Cb 0.44 -3.66 -0.06 0.00 -1.01 0.00 0.00 64.21 59.92 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 -6.68 4.23 0.16 -3.43 1.43 0.55 -5.02 118.68 109.93 1x66 s LEU 45 Ca 0.10 1.36 -0.02 0.00 -1.03 0.00 0.00 54.13 54.54 1x66 s LEU 45 Cb -0.03 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 1x66 s LEU 45 CO 0.84 -0.06 0.12 -0.04 0.23 0.00 0.00 176.35 177.44 1x66 s MET 46 N -2.38 1.06 -1.55 1.70 -1.94 -1.26 -4.78 119.30 110.15 1x66 s MET 46 Ca 0.47 -1.46 0.00 0.00 -1.71 0.00 0.00 55.69 52.99 1x66 s MET 46 Cb -0.14 0.28 0.00 0.00 2.01 0.00 0.00 34.83 36.98 1x66 s MET 46 CO 0.19 -0.34 0.00 0.39 -0.01 0.00 0.00 175.02 175.26 1x66 n GLU 47 N -0.18 -1.36 -3.97 2.03 1.02 -1.26 -4.69 120.64 112.23 1x66 n GLU 47 Ca -0.03 0.89 -0.36 0.00 -0.02 0.00 0.00 57.16 57.64 1x66 n GLU 47 Cb 0.64 -5.32 -0.08 0.00 -0.02 0.00 0.00 31.44 26.66 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 -2.83 5.14 -0.94 -3.67 2.07 -1.26 -3.92 121.20 115.79 1x66 s ILE 48 Ca 0.00 0.08 -0.14 0.00 -1.41 0.00 0.00 60.65 59.18 1x66 s ILE 48 Cb 0.00 -3.26 0.21 0.00 0.13 0.00 0.00 42.46 39.54 1x66 s ILE 48 CO 0.00 0.56 0.97 -0.62 -1.91 0.00 0.00 174.94 173.94 1x66 s ASP 49 N -0.50 6.87 0.60 4.50 2.15 0.86 -4.86 116.67 126.31 1x66 s ASP 49 Ca 0.11 -2.75 0.36 0.00 0.43 0.00 0.00 52.55 50.69 1x66 s ASP 49 Cb -0.12 -2.27 1.95 0.00 -0.30 0.00 0.00 42.92 42.19 1x66 s ASP 49 CO 0.02 -0.64 2.24 0.71 -0.17 0.00 0.00 175.17 177.33 1x66 h THR 50 N 4.78 0.28 0.00 1.71 1.35 -1.97 -1.53 112.91 117.53 1x66 h THR 50 Ca 0.15 -0.16 -0.01 0.00 -0.55 0.00 0.00 66.41 65.84 1x66 h THR 50 Cb 0.99 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1x66 h THR 50 CO 0.92 0.02 -0.06 0.77 -0.25 0.00 0.00 175.52 176.93 1x66 h SER 51 N 0.00 0.00 0.60 5.36 4.64 -1.96 -0.90 113.55 121.29 1x66 h SER 51 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1x66 h SER 51 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1x66 h SER 51 CO 0.00 0.06 -0.16 0.15 -0.87 0.00 0.00 176.83 176.01 1x66 h PHE 52 N 0.00 0.00 -0.20 4.77 3.04 -1.66 -2.52 116.94 120.37 1x66 h PHE 52 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1x66 h PHE 52 Cb 0.15 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.66 1x66 h PHE 52 CO 0.00 0.16 0.00 1.19 -2.02 0.00 0.00 178.31 177.64 1x66 n PHE 53 N -3.51 0.70 0.24 0.41 3.01 -0.38 -4.56 117.46 113.37 1x66 n PHE 53 Ca -0.01 -0.89 0.07 0.00 1.01 0.00 0.00 57.45 57.62 1x66 n PHE 53 Cb 0.32 -0.27 0.57 0.00 -0.01 0.00 0.00 39.48 40.09 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 1.37 0.01 0.00 -1.08 3.07 -1.03 -3.10 115.11 114.34 1x66 h GLN 54 Ca 0.00 -0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.66 1x66 h GLN 54 Cb 1.31 -0.00 -0.18 0.00 0.08 0.00 0.00 27.48 28.69 1x66 h GLN 54 CO 0.16 0.10 -0.71 0.27 0.09 0.00 0.00 178.83 178.74 1x66 n ASN 55 N -4.43 0.84 -4.45 0.06 6.94 -1.26 -4.88 115.26 108.07 1x66 n ASN 55 Ca -0.03 -2.30 -0.43 0.00 -0.02 0.00 0.00 54.58 51.80 1x66 n ASN 55 Cb 0.17 -0.30 -0.04 0.00 -2.36 0.00 0.00 39.78 37.25 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 -0.60 3.13 0.65 -3.83 1.75 -1.17 -4.96 119.30 114.27 1x66 s MET 56 Ca 0.23 -0.82 -0.18 0.00 -1.25 0.00 0.00 55.69 53.67 1x66 s MET 56 Cb 0.24 -4.20 -0.01 0.00 2.84 0.00 0.00 34.83 33.70 1x66 s MET 56 CO -0.08 -1.72 1.26 -0.40 -0.65 0.00 0.00 175.02 173.43 1x66 n ASP 57 N 7.47 1.92 -0.36 1.11 5.68 -1.26 -4.64 116.55 126.47 1x66 n ASP 57 Ca -0.04 0.82 0.27 0.00 -0.50 0.00 0.00 54.79 55.34 1x66 n ASP 57 Cb 0.45 -1.54 0.54 0.00 -1.14 0.00 0.00 41.12 39.43 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 0.46 1.52 0.98 6.12 0.00 -0.59 0.39 103.07 111.94 1x66 h GLY 58 Ca -0.51 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 46.60 1x66 h GLY 58 CO 0.52 -0.32 0.21 0.50 0.00 0.00 0.00 176.54 177.45 1x66 h LYS 59 N 0.29 0.78 0.00 4.80 1.79 -1.73 -0.58 116.57 121.92 1x66 h LYS 59 Ca 0.71 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 59.03 1x66 h LYS 59 Cb 1.86 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 32.39 1x66 h LYS 59 CO -0.43 0.69 0.00 0.39 -1.08 0.00 0.00 179.45 179.02 1x66 n GLU 60 N -4.53 0.15 -0.01 3.15 -0.58 0.12 -2.69 120.64 116.25 1x66 n GLU 60 Ca 0.02 0.21 -0.10 0.00 -0.42 0.00 0.00 57.16 56.87 1x66 n GLU 60 Cb 0.16 -1.70 -0.14 0.00 -0.57 0.00 0.00 31.44 29.19 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 0.05 0.00 -4.62 5.85 -0.29 -3.15 115.31 113.15 1x66 h LEU 61 Ca 0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1x66 h LEU 61 Cb 0.53 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1x66 h LEU 61 CO 0.00 1.09 -0.29 0.00 -0.34 0.00 0.00 178.44 178.90 1x66 n LYS 63 N -1.94 0.64 -1.33 0.00 2.85 -1.09 -4.95 118.16 112.34 1x66 n LYS 63 Ca 0.05 0.18 -0.36 0.00 -1.05 0.00 0.00 58.31 57.13 1x66 n LYS 63 Cb 0.40 -1.73 0.07 0.00 -0.65 0.00 0.00 35.03 33.12 1x66 n LYS 63 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1x66 n MET 64 N -2.89 0.40 -4.72 -1.58 2.81 -1.19 -5.02 117.12 104.93 1x66 n MET 64 Ca -0.17 0.18 -0.32 0.00 -1.81 0.00 0.00 57.70 55.58 1x66 n MET 64 Cb 0.98 -1.89 -0.08 0.00 -0.71 0.00 0.00 33.22 31.51 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 -1.44 4.08 0.37 7.83 0.01 -1.26 -4.96 114.94 119.56 1x66 s ASN 65 Ca 0.68 -1.59 0.12 0.00 -0.71 0.00 0.00 52.86 51.37 1x66 s ASN 65 Cb -0.37 0.31 0.93 0.00 0.41 0.00 0.00 41.25 42.53 1x66 s ASN 65 CO 0.55 -0.76 1.82 0.50 -1.51 0.00 0.00 177.10 177.71 1x66 h LYS 66 N 1.44 0.55 0.71 -0.60 1.63 -1.95 0.17 116.57 118.53 1x66 h LYS 66 Ca -0.44 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.29 1x66 h LYS 66 Cb 1.30 -0.12 0.01 0.00 -0.60 0.00 0.00 32.23 32.81 1x66 h LYS 66 CO 0.76 0.37 -0.34 0.93 -3.45 0.00 0.00 179.45 177.71 1x66 h GLU 67 N 0.57 -0.91 -0.53 1.90 4.39 -1.99 -0.52 114.58 117.49 1x66 h GLU 67 Ca 0.52 0.06 0.10 0.00 0.34 0.00 0.00 59.36 60.37 1x66 h GLU 67 Cb 1.05 0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.88 1x66 h GLU 67 CO -0.26 -0.60 0.36 -0.44 -1.16 0.00 0.00 179.01 176.91 1x66 h ASP 68 N -1.24 0.27 0.27 1.42 3.32 -1.82 -0.33 116.42 118.32 1x66 h ASP 68 Ca -0.10 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.80 1x66 h ASP 68 Cb 0.73 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1x66 h ASP 68 CO 0.16 0.17 -0.63 -0.26 -1.72 0.00 0.00 179.24 176.95 1x66 h PHE 69 N 0.30 0.45 0.00 4.55 0.04 -0.60 -2.90 116.94 118.79 1x66 h PHE 69 Ca 0.24 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1x66 h PHE 69 Cb 0.56 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.63 1x66 h PHE 69 CO -0.00 0.89 0.00 -0.07 -0.60 0.00 0.00 178.31 178.53 1x66 h LEU 70 N 0.25 0.00 -0.45 1.54 3.38 0.63 0.24 115.31 120.91 1x66 h LEU 70 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1x66 h LEU 70 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1x66 h LEU 70 CO 0.11 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.18 1x66 n ARG 71 N -3.00 1.30 0.00 1.13 1.74 -0.97 -4.06 116.66 112.80 1x66 n ARG 71 Ca 0.01 -0.45 0.00 0.00 -0.77 0.00 0.00 57.85 56.64 1x66 n ARG 71 Cb 0.30 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 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 -0.37 1.94 -2.41 7.54 0.00 -0.83 -5.03 120.51 121.35 1x66 n ALA 72 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.44 1x66 n ALA 72 Cb 0.19 0.18 -0.11 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.38 1.35 0.87 0.00 -1.32 0.79 -0.09 115.64 115.86 1x66 s THR 73 Ca 0.00 -1.88 -0.11 0.00 -1.21 0.00 0.00 61.69 58.49 1x66 s THR 73 Cb 0.00 -1.69 0.12 0.00 -1.51 0.00 0.00 72.50 69.42 1x66 s THR 73 CO 0.00 -0.53 1.14 0.28 -2.21 0.00 0.00 174.62 173.31 1x66 s THR 74 N -2.56 2.29 0.16 5.08 -1.32 -1.25 -3.95 115.64 114.08 1x66 s THR 74 Ca 0.13 0.10 -0.20 0.00 -1.21 0.00 0.00 61.69 60.51 1x66 s THR 74 Cb -0.02 -2.25 0.06 0.00 -1.51 0.00 0.00 72.50 68.77 1x66 s THR 74 CO 0.03 -0.12 1.65 0.25 -2.21 0.00 0.00 174.62 174.22 1x66 h LEU 75 N -1.59 -0.54 -0.28 9.08 5.85 -1.93 0.27 115.31 126.17 1x66 h LEU 75 Ca -0.44 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.47 1x66 h LEU 75 Cb 1.26 0.29 -0.08 0.00 0.37 0.00 0.00 40.66 42.51 1x66 h LEU 75 CO 0.44 -0.20 -0.34 0.22 -0.34 0.00 0.00 178.44 178.23 1x66 h TYR 76 N -0.12 -0.93 -0.23 1.25 5.03 -2.00 0.30 116.97 120.28 1x66 h TYR 76 Ca 0.16 0.05 -0.04 0.00 2.58 0.00 0.00 58.73 61.48 1x66 h TYR 76 Cb 0.36 0.45 -0.01 0.00 1.55 0.00 0.00 36.73 39.08 1x66 h TYR 76 CO -0.36 -0.40 -0.06 -0.91 -1.32 0.00 0.00 178.16 175.11 1x66 h ASN 77 N -0.33 0.32 0.18 -2.11 2.35 -1.77 -2.02 115.58 112.20 1x66 h ASN 77 Ca 0.13 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1x66 h ASN 77 Cb 0.55 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 1x66 h ASN 77 CO -0.46 0.43 -0.15 0.74 -1.65 0.00 0.00 177.43 176.34 1x66 h THR 78 N 0.33 1.01 0.07 2.81 2.02 0.15 -1.20 112.91 118.11 1x66 h THR 78 Ca 0.07 -0.53 -0.25 0.00 0.77 0.00 0.00 66.41 66.48 1x66 h THR 78 Cb 0.32 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1x66 h THR 78 CO 0.01 0.15 -1.11 -0.33 0.37 0.00 0.00 175.52 174.61 1x66 h GLU 79 N 0.00 0.28 0.35 6.66 5.08 -0.44 -2.90 114.58 123.61 1x66 h GLU 79 Ca -0.00 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 1x66 h GLU 79 Cb 0.28 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1x66 h GLU 79 CO 0.02 1.14 -0.17 0.28 -1.00 0.00 0.00 179.01 179.29 1x66 h VAL 80 N 0.11 0.33 0.16 3.13 2.07 -1.20 -1.97 116.25 118.88 1x66 h VAL 80 Ca -0.10 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.71 1x66 h VAL 80 Cb 1.80 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 1x66 h VAL 80 CO 0.18 0.08 -0.42 -0.07 0.02 0.00 0.00 177.57 177.36 1x66 h LEU 81 N -1.03 -1.23 -0.49 2.57 3.38 -1.39 0.25 115.31 117.37 1x66 h LEU 81 Ca -0.05 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.15 1x66 h LEU 81 Cb 0.49 0.46 -0.08 0.00 0.09 0.00 0.00 40.66 41.61 1x66 h LEU 81 CO 0.08 -0.50 0.03 -0.07 0.09 0.00 0.00 178.44 178.07 1x66 h LEU 82 N -0.68 -0.14 -0.39 1.67 3.38 -1.64 0.82 115.31 118.32 1x66 h LEU 82 Ca 0.01 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1x66 h LEU 82 Cb 0.69 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1x66 h LEU 82 CO -0.22 -0.04 0.24 -1.28 0.09 0.00 0.00 178.44 177.23 1x66 h SER 83 N 0.15 0.40 0.51 -0.43 0.87 -0.84 0.01 113.55 114.22 1x66 h SER 83 Ca 0.25 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1x66 h SER 83 Cb 0.36 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1x66 h SER 83 CO -0.38 0.29 -0.26 -0.74 -0.53 0.00 0.00 176.83 175.21 1x66 h HIS 84 N 0.49 -0.66 -0.05 2.24 -0.00 0.42 -2.23 115.15 115.36 1x66 h HIS 84 Ca 0.15 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.52 1x66 h HIS 84 Cb -0.02 0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 27.61 1x66 h HIS 84 CO -0.06 -0.41 0.05 1.25 -0.00 0.00 0.00 177.93 178.76 1x66 h LEU 85 N -0.70 0.00 -0.66 0.26 5.85 -0.75 -2.08 115.31 117.22 1x66 h LEU 85 Ca -0.07 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.73 1x66 h LEU 85 Cb 0.54 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1x66 h LEU 85 CO 0.11 0.00 0.33 -1.28 -0.34 0.00 0.00 178.44 177.26 1x66 h SER 86 N 0.00 0.44 0.15 1.25 0.87 -0.34 0.24 113.55 116.16 1x66 h SER 86 Ca 0.02 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1x66 h SER 86 Cb 0.12 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1x66 h SER 86 CO -0.00 0.27 -0.07 0.22 -0.53 0.00 0.00 176.83 176.72 1x66 h TYR 87 N 0.58 -0.18 -0.91 2.24 3.20 -1.38 -2.90 116.97 117.62 1x66 h TYR 87 Ca 0.32 -0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.39 1x66 h TYR 87 Cb 0.30 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.56 1x66 h TYR 87 CO -0.11 0.25 0.60 -0.07 -1.64 0.00 0.00 178.16 177.20 1x66 h LEU 88 N -0.89 0.37 -0.67 2.82 4.07 -1.39 0.26 115.31 119.88 1x66 h LEU 88 Ca -0.02 0.04 -0.13 0.00 0.08 0.00 0.00 57.88 57.85 1x66 h LEU 88 Cb 0.52 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 1x66 h LEU 88 CO 0.03 0.14 -0.40 0.03 -1.08 0.00 0.00 178.44 177.17 1x66 h ARG 89 N 0.37 0.58 -0.78 1.13 3.08 -0.55 -2.99 114.38 115.22 1x66 h ARG 89 Ca 0.47 -0.29 -0.39 0.00 0.07 0.00 0.00 59.98 59.84 1x66 h ARG 89 Cb 1.23 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 31.06 1x66 h ARG 89 CO -0.17 0.88 0.40 0.39 -1.07 0.00 0.00 179.97 180.40 1x66 n GLU 90 N -4.03 2.25 -0.02 0.04 -0.58 0.70 -4.30 120.64 114.70 1x66 n GLU 90 Ca -0.02 -3.07 -0.02 0.00 -0.42 0.00 0.00 57.16 53.63 1x66 n GLU 90 Cb 0.52 -2.07 -0.01 0.00 -0.57 0.00 0.00 31.44 29.31 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 -1.06 0.54 -0.06 1.62 2.88 0.03 -4.79 113.62 112.77 1x66 n SER 91 Ca 0.50 0.24 -0.09 0.00 -1.33 0.00 0.00 58.87 58.18 1x66 n SER 91 Cb 1.46 -0.59 -0.09 0.00 -0.75 0.00 0.00 64.21 64.24 1x66 n SER 91 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x66 h SER 92 N -0.29 0.00 -2.30 -3.46 0.02 -1.82 -3.45 113.55 102.26 1x66 h SER 92 Ca 0.00 -0.65 -0.56 0.00 -0.84 0.00 0.00 61.79 59.75 1x66 h SER 92 Cb 0.21 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.78 1x66 h SER 92 CO 0.00 0.84 1.15 -0.24 -1.14 0.00 0.00 176.83 177.44 1x66 n SER 93 N -4.66 3.91 0.00 3.07 2.88 -1.26 -4.84 113.62 112.71 1x66 n SER 93 Ca -0.07 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1x66 n SER 93 Cb 0.32 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.30 1x66 n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x66 n GLY 94 N 4.40 1.69 3.77 0.46 0.00 -1.26 -4.73 105.19 109.52 1x66 n GLY 94 Ca 0.20 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.92 2.36 -0.23 1.61 0.04 -1.26 -4.96 135.00 130.63 1x66 s PRO 95 Ca 0.00 1.21 -0.29 0.00 0.04 0.00 0.00 61.00 61.96 1x66 s PRO 95 Cb 0.00 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1x66 s PRO 95 CO 0.00 -1.57 1.31 -1.12 0.04 0.00 0.00 177.00 175.66 1x66 s SER 96 N -3.24 6.77 -1.27 6.66 0.01 -1.26 -4.93 113.70 116.44 1x66 s SER 96 Ca 0.62 1.47 -0.18 0.00 1.31 0.00 0.00 55.95 59.17 1x66 s SER 96 Cb -0.18 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.52 1x66 s SER 96 CO 0.53 -0.95 1.96 -1.54 0.41 0.00 0.00 173.24 173.65 1x66 n SER 97 N 7.24 4.00 0.00 2.44 3.41 -1.26 -5.34 113.62 124.11 1x66 n SER 97 Ca 0.15 -2.83 0.11 0.00 -0.26 0.00 0.00 58.87 56.04 1x66 n SER 97 Cb 0.46 -1.63 0.68 0.00 -0.26 0.00 0.00 64.21 63.45 1x66 n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49