#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x66 s SER 2 N 0.00 3.15 -0.16 1.61 0.01 -1.26 -5.05 113.70 112.00 1x66 s SER 2 Ca 0.00 -0.99 0.12 0.00 1.31 0.00 0.00 55.95 56.38 1x66 s SER 2 Cb 0.00 -0.23 -0.23 0.00 0.21 0.00 0.00 66.02 65.77 1x66 s SER 2 CO 0.00 -0.03 0.22 -1.20 0.41 0.00 0.00 173.24 172.64 1x66 n SER 3 N -0.37 0.74 -3.19 2.44 7.64 -1.26 -4.97 113.62 114.65 1x66 n SER 3 Ca -0.08 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1x66 n SER 3 Cb 0.59 0.32 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 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 1.79 -2.16 3.11 0.23 0.00 -1.26 -5.08 105.19 101.83 1x66 n GLY 4 Ca -0.30 -1.43 -0.01 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.48 -1.09 0.03 1.61 0.01 -1.26 -5.15 113.70 106.37 1x66 s SER 5 Ca 0.00 -0.52 0.08 0.00 1.31 0.00 0.00 55.95 56.81 1x66 s SER 5 Cb 0.00 1.75 -0.02 0.00 0.21 0.00 0.00 66.02 67.96 1x66 s SER 5 CO 0.00 -0.24 -0.22 -0.94 0.41 0.00 0.00 173.24 172.25 1x66 s SER 6 N 2.18 2.67 1.12 2.44 1.04 -1.26 -5.13 113.70 116.76 1x66 s SER 6 Ca 0.14 -0.51 -0.18 0.00 0.48 0.00 0.00 55.95 55.87 1x66 s SER 6 Cb -0.08 -0.25 0.11 0.00 0.10 0.00 0.00 66.02 65.91 1x66 s SER 6 CO -0.15 0.21 0.07 0.61 0.98 0.00 0.00 173.24 174.96 1x66 n GLY 7 N 1.99 -2.46 3.69 7.32 0.00 -1.26 -4.97 105.19 109.51 1x66 n GLY 7 Ca -0.17 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.50 0.74 0.40 1.61 0.04 -1.26 -5.00 135.00 128.04 1x66 s PRO 8 Ca 0.57 0.63 -0.25 0.00 0.04 0.00 0.00 61.00 61.98 1x66 s PRO 8 Cb -0.13 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.56 1x66 s PRO 8 CO 0.66 -2.55 1.19 -1.25 0.04 0.00 0.00 177.00 175.09 1x66 s PRO 9 N -4.95 4.04 -0.08 0.56 0.04 -1.26 -4.96 135.00 128.38 1x66 s PRO 9 Ca 0.65 1.88 0.06 0.00 0.04 0.00 0.00 61.00 63.63 1x66 s PRO 9 Cb -0.18 -2.68 -0.09 0.00 0.04 0.00 0.00 34.50 31.58 1x66 s PRO 9 CO 0.57 -0.35 0.02 0.09 0.04 0.00 0.00 177.00 177.37 1x66 n ASN 10 N 0.07 3.08 -4.74 6.66 3.02 -1.26 -5.00 115.26 117.10 1x66 n ASN 10 Ca 0.04 -0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.18 1x66 n ASN 10 Cb 0.46 0.62 -0.05 0.00 -0.61 0.00 0.00 39.78 40.20 1x66 n ASN 10 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1x66 s MET 11 N -2.19 4.74 -0.46 3.52 1.75 -1.26 -5.00 119.30 120.41 1x66 s MET 11 Ca -0.05 1.44 -0.29 0.00 -1.25 0.00 0.00 55.69 55.54 1x66 s MET 11 Cb 0.02 -3.34 0.02 0.00 2.84 0.00 0.00 34.83 34.38 1x66 s MET 11 CO 0.31 0.34 1.19 0.99 -0.65 0.00 0.00 175.02 177.20 1x66 s THR 12 N -0.46 4.16 -0.64 10.11 2.01 -1.26 -4.98 115.64 124.58 1x66 s THR 12 Ca 0.44 1.19 -0.12 0.00 0.31 0.00 0.00 61.69 63.51 1x66 s THR 12 Cb -0.24 -4.52 0.16 0.00 0.01 0.00 0.00 72.50 67.92 1x66 s THR 12 CO 0.30 -0.93 0.55 -0.89 -0.69 0.00 0.00 174.62 172.96 1x66 s THR 13 N 4.61 4.95 0.46 -0.82 2.01 -1.26 -4.90 115.64 120.69 1x66 s THR 13 Ca 0.51 -2.08 0.25 0.00 0.31 0.00 0.00 61.69 60.68 1x66 s THR 13 Cb -0.09 -4.15 0.28 0.00 0.01 0.00 0.00 72.50 68.55 1x66 s THR 13 CO 0.31 -0.91 2.09 -0.55 -0.69 0.00 0.00 174.62 174.88 1x66 h ASN 14 N 8.19 0.00 0.00 3.53 -1.07 -1.94 -3.41 115.58 120.88 1x66 h ASN 14 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.27 1x66 h ASN 14 Cb 1.06 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.31 1x66 h ASN 14 CO 0.86 0.11 0.00 -0.62 0.07 0.00 0.00 177.43 177.85 1x66 n GLU 15 N -3.84 0.00 -1.08 4.14 -0.58 -1.26 -5.06 120.64 112.96 1x66 n GLU 15 Ca -0.02 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1x66 n GLU 15 Cb 0.20 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.08 1x66 n GLU 15 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1x66 n ARG 16 N -1.85 0.03 -1.82 3.49 3.00 -1.26 -5.16 116.66 113.09 1x66 n ARG 16 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 1x66 n ARG 16 Cb 0.00 0.24 0.00 0.00 0.00 0.00 0.00 32.46 32.70 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 -0.03 0.01 -3.96 -0.14 0.00 -1.26 -5.15 116.66 106.13 1x66 n ARG 17 Ca -0.01 -0.04 -0.29 0.00 -0.00 0.00 0.00 57.85 57.51 1x66 n ARG 17 Cb 0.40 0.06 -0.04 0.00 -0.00 0.00 0.00 32.46 32.88 1x66 n ARG 17 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1x66 s VAL 18 N -2.26 5.15 -0.55 8.89 1.01 -1.26 -4.66 120.40 126.71 1x66 s VAL 18 Ca 0.01 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.45 1x66 s VAL 18 Cb -0.00 -3.55 0.14 0.00 0.00 0.00 0.00 36.38 32.97 1x66 s VAL 18 CO 0.00 0.06 0.32 -0.63 0.00 0.00 0.00 175.10 174.85 1x66 s ILE 19 N -1.56 2.41 0.07 2.22 1.01 -1.26 -5.08 121.20 119.01 1x66 s ILE 19 Ca 0.34 -3.42 0.02 0.00 0.00 0.00 0.00 60.65 57.58 1x66 s ILE 19 Cb -0.12 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 1x66 s ILE 19 CO 0.27 -0.88 -0.08 0.68 0.00 0.00 0.00 174.94 174.93 1x66 s VAL 20 N -0.47 0.68 1.06 2.92 -7.23 -1.26 -5.07 120.40 111.03 1x66 s VAL 20 Ca 0.20 -1.52 -0.14 0.00 -1.81 0.00 0.00 61.98 58.70 1x66 s VAL 20 Cb -0.19 -1.18 0.22 0.00 0.56 0.00 0.00 36.38 35.79 1x66 s VAL 20 CO -0.05 -0.61 1.10 -2.16 -0.31 0.00 0.00 175.10 173.07 1x66 s PRO 21 N -2.69 -0.09 0.00 4.82 0.04 -1.26 -5.02 135.00 130.80 1x66 s PRO 21 Ca 0.02 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1x66 s PRO 21 Cb -0.03 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.82 1x66 s PRO 21 CO -0.02 -3.04 0.66 0.00 0.04 0.00 0.00 177.00 174.64 1x66 n ALA 22 N -4.36 -0.17 -1.77 8.56 0.00 -1.26 -4.71 120.51 116.80 1x66 n ALA 22 Ca 0.07 0.00 -0.40 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 0.34 0.00 0.00 0.00 177.50 177.84 1x66 s ASP 23 N -2.00 6.30 0.32 0.00 2.15 -1.26 -4.86 116.67 117.32 1x66 s ASP 23 Ca 0.00 2.90 0.11 0.00 0.43 0.00 0.00 52.55 55.98 1x66 s ASP 23 Cb 0.00 -2.66 0.52 0.00 -0.30 0.00 0.00 42.92 40.48 1x66 s ASP 23 CO 0.00 -0.89 1.71 1.55 -0.17 0.00 0.00 175.17 177.38 1x66 h PRO 24 N 2.85 0.04 -0.01 4.34 0.13 -1.84 -2.88 132.00 134.64 1x66 h PRO 24 Ca -0.50 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 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 0.63 0.52 0.06 1.79 -0.23 0.00 0.00 178.00 180.77 1x66 h THR 25 N 0.04 0.06 -0.13 1.56 1.35 -1.92 0.26 112.91 114.13 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 -3.15 1.10 -4.69 3.87 4.77 -1.09 -4.26 117.00 113.56 1x66 n LEU 26 Ca -0.03 -0.48 -0.41 0.00 -0.03 0.00 0.00 56.01 55.07 1x66 n LEU 26 Cb 0.13 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1x66 n LEU 26 CO 0.20 0.24 0.51 0.26 -1.33 0.00 0.00 177.39 177.27 1x66 s TRP 27 N -1.84 3.49 0.47 -1.77 0.51 0.90 -4.84 118.94 115.86 1x66 s TRP 27 Ca 0.28 1.25 -0.08 0.00 -2.12 0.00 0.00 56.10 55.42 1x66 s TRP 27 Cb 0.14 -2.92 0.11 0.00 -0.81 0.00 0.00 33.47 29.99 1x66 s TRP 27 CO 0.22 -0.10 0.59 0.25 -0.51 0.00 0.00 176.95 177.40 1x66 n THR 28 N 4.33 0.00 0.28 2.01 -2.24 -1.26 -0.06 114.28 117.34 1x66 n THR 28 Ca 0.02 -0.40 0.16 0.00 -2.27 0.00 0.00 64.05 61.55 1x66 n THR 28 Cb 0.50 -1.64 0.78 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.67 115.11 113.89 1x66 h GLN 29 Ca -0.20 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 58.84 1x66 h GLN 29 Cb 0.55 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.19 1x66 h GLN 29 CO 0.14 0.00 -2.19 -1.91 -1.93 0.00 0.00 178.83 172.94 1x66 n GLU 30 N -2.63 0.64 -0.07 1.69 2.13 -1.26 -4.30 120.64 116.84 1x66 n GLU 30 Ca -0.01 0.28 -0.07 0.00 0.66 0.00 0.00 57.16 58.02 1x66 n GLU 30 Cb 0.13 -1.59 -0.01 0.00 0.27 0.00 0.00 31.44 30.23 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 -0.45 -0.57 -1.00 4.31 3.86 -1.83 0.13 115.15 119.60 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 1.74 0.30 -0.05 0.00 1.06 0.00 0.00 27.41 30.46 1x66 h HIS 31 CO 0.02 -0.30 0.71 0.28 0.86 0.00 0.00 177.93 179.50 1x66 h VAL 32 N -0.20 0.52 0.23 2.45 2.07 -1.71 0.19 116.25 119.80 1x66 h VAL 32 Ca 0.15 -0.03 -0.32 0.00 0.82 0.00 0.00 66.70 67.33 1x66 h VAL 32 Cb 0.44 0.43 0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1x66 h VAL 32 CO -0.40 0.01 -1.40 0.03 0.02 0.00 0.00 177.57 175.83 1x66 h ARG 33 N 0.08 0.49 0.18 1.57 3.08 -1.01 -3.09 114.38 115.68 1x66 h ARG 33 Ca 0.49 -0.84 -0.01 0.00 0.07 0.00 0.00 59.98 59.69 1x66 h ARG 33 Cb 1.81 0.31 0.00 0.00 0.08 0.00 0.00 29.97 32.17 1x66 h ARG 33 CO -0.05 1.40 -0.09 1.96 -1.07 0.00 0.00 179.97 182.12 1x66 h GLN 34 N 0.06 -0.23 -0.86 0.04 4.20 0.98 -2.44 115.11 116.85 1x66 h GLN 34 Ca -0.25 0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.59 1x66 h GLN 34 Cb 2.08 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 29.85 1x66 h GLN 34 CO 0.25 0.03 0.56 2.35 -0.67 0.00 0.00 178.83 181.35 1x66 h TRP 35 N -0.48 0.86 0.89 2.96 7.01 -0.92 -1.52 115.95 124.75 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 0.37 -0.28 0.01 0.00 -2.10 0.00 0.00 29.16 27.16 1x66 h TRP 35 CO 0.01 0.37 -0.43 1.25 -2.79 0.00 0.00 178.44 176.85 1x66 h LEU 36 N 0.78 -1.01 -2.03 0.65 5.85 -1.43 -0.97 115.31 117.16 1x66 h LEU 36 Ca 0.41 0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.30 1x66 h LEU 36 Cb 0.52 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1x66 h LEU 36 CO -0.18 -0.68 0.40 -0.33 -0.34 0.00 0.00 178.44 177.31 1x66 h GLU 37 N -1.27 0.00 0.37 1.25 5.08 -1.14 -1.79 114.58 117.08 1x66 h GLU 37 Ca -0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1x66 h GLU 37 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1x66 h GLU 37 CO 0.20 0.00 -0.18 2.35 -1.00 0.00 0.00 179.01 180.38 1x66 h TRP 38 N 0.00 -0.46 -0.78 4.33 7.01 -0.93 -2.53 115.95 122.59 1x66 h TRP 38 Ca 0.21 -0.01 0.23 0.00 2.11 0.00 0.00 58.89 61.43 1x66 h TRP 38 Cb 1.01 0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 28.19 1x66 h TRP 38 CO 0.00 -0.29 0.59 0.00 -2.79 0.00 0.00 178.44 175.95 1x66 h ALA 39 N -1.27 2.70 -0.05 2.65 0.00 -0.71 0.32 119.26 122.90 1x66 h ALA 39 Ca -0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1x66 h ALA 39 Cb 0.38 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1x66 h ALA 39 CO 0.08 -0.99 -0.09 0.82 0.00 0.00 0.00 179.25 179.07 1x66 h ILE 40 N 0.00 1.41 0.00 0.00 2.04 -1.35 0.25 117.51 119.86 1x66 h ILE 40 Ca 0.37 -1.36 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 1x66 h ILE 40 Cb 1.55 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 39.81 1x66 h ILE 40 CO -0.00 0.37 -0.17 0.07 0.00 0.00 0.00 178.15 178.42 1x66 h LYS 41 N -0.34 0.00 0.00 2.37 2.10 -0.64 0.35 116.57 120.41 1x66 h LYS 41 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.59 1x66 h LYS 41 Cb 0.65 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.97 1x66 h LYS 41 CO 0.02 0.17 -0.45 1.49 -2.00 0.00 0.00 179.45 178.68 1x66 h GLU 42 N 0.00 0.00 -0.28 0.07 4.57 -0.42 -3.35 114.58 115.17 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 0.82 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 1x66 h GLU 42 CO 0.02 0.67 0.00 0.66 -1.18 0.00 0.00 179.01 179.19 1x66 n TYR 43 N -4.59 0.38 -3.91 0.92 4.01 0.88 -4.91 117.16 109.93 1x66 n TYR 43 Ca -0.14 -0.19 -0.28 0.00 -0.16 0.00 0.00 57.90 57.13 1x66 n TYR 43 Cb 0.42 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.46 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 0.41 -2.77 -4.75 7.72 7.64 0.76 -4.90 113.62 117.72 1x66 n SER 44 Ca 0.12 -0.87 -0.41 0.00 1.01 0.00 0.00 58.87 58.73 1x66 n SER 44 Cb 0.29 -3.61 -0.03 0.00 -1.01 0.00 0.00 64.21 59.84 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 -7.06 4.48 0.17 -3.43 1.43 0.87 -5.00 118.68 110.14 1x66 s LEU 45 Ca 0.37 2.38 0.05 0.00 -1.03 0.00 0.00 54.13 55.91 1x66 s LEU 45 Cb -0.19 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.36 1x66 s LEU 45 CO 0.85 -0.34 -0.10 -0.04 0.23 0.00 0.00 176.35 176.95 1x66 s MET 46 N -1.10 1.16 -1.20 1.70 -1.94 -1.26 -4.81 119.30 111.85 1x66 s MET 46 Ca 0.49 -1.51 -0.05 0.00 -1.71 0.00 0.00 55.69 52.90 1x66 s MET 46 Cb -0.35 -0.76 0.01 0.00 2.01 0.00 0.00 34.83 35.74 1x66 s MET 46 CO 0.43 0.09 0.72 0.39 -0.01 0.00 0.00 175.02 176.64 1x66 n GLU 47 N -0.27 -5.22 -4.49 2.03 1.02 -1.26 -4.64 120.64 107.81 1x66 n GLU 47 Ca -0.09 0.72 -0.34 0.00 -0.02 0.00 0.00 57.16 57.43 1x66 n GLU 47 Cb 0.61 -5.28 -0.11 0.00 -0.02 0.00 0.00 31.44 26.64 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 -3.16 3.90 -0.87 -3.67 2.07 -1.26 -3.49 121.20 114.73 1x66 s ILE 48 Ca 0.36 -0.39 -0.16 0.00 -1.41 0.00 0.00 60.65 59.05 1x66 s ILE 48 Cb -0.16 -2.65 0.18 0.00 0.13 0.00 0.00 42.46 39.97 1x66 s ILE 48 CO 0.44 0.56 0.91 -0.62 -1.91 0.00 0.00 174.94 174.33 1x66 s ASP 49 N -0.40 6.71 0.49 4.50 -1.08 0.85 -4.86 116.67 122.88 1x66 s ASP 49 Ca 0.06 -2.42 0.23 0.00 -0.52 0.00 0.00 52.55 49.90 1x66 s ASP 49 Cb -0.12 -2.29 1.26 0.00 -1.46 0.00 0.00 42.92 40.31 1x66 s ASP 49 CO 0.02 -0.78 2.02 0.71 0.52 0.00 0.00 175.17 177.67 1x66 h THR 50 N 5.22 0.77 0.00 1.71 1.35 -1.98 -2.14 112.91 117.84 1x66 h THR 50 Ca 0.12 -0.64 -0.01 0.00 -0.55 0.00 0.00 66.41 65.34 1x66 h THR 50 Cb 1.03 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1x66 h THR 50 CO 0.90 0.16 -0.03 0.77 -0.25 0.00 0.00 175.52 177.07 1x66 h SER 51 N 0.00 0.00 0.44 5.36 4.64 -1.97 -0.64 113.55 121.38 1x66 h SER 51 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1x66 h SER 51 Cb 0.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1x66 h SER 51 CO 0.02 0.03 -0.11 0.15 -0.87 0.00 0.00 176.83 176.05 1x66 h PHE 52 N 0.00 0.00 -0.18 4.77 3.57 -1.78 -2.25 116.94 121.08 1x66 h PHE 52 Ca -0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1x66 h PHE 52 Cb 0.07 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1x66 h PHE 52 CO 0.00 0.11 -0.04 1.19 -2.23 0.00 0.00 178.31 177.34 1x66 n PHE 53 N -3.52 0.61 0.16 0.41 3.01 -0.27 -4.63 117.46 113.24 1x66 n PHE 53 Ca -0.02 -1.07 0.03 0.00 1.01 0.00 0.00 57.45 57.41 1x66 n PHE 53 Cb 0.24 -0.29 0.41 0.00 -0.01 0.00 0.00 39.48 39.84 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 1.05 0.12 -0.15 -1.08 3.07 -1.15 -3.19 115.11 113.78 1x66 h GLN 54 Ca 0.04 -0.03 -0.18 0.00 0.09 0.00 0.00 58.65 58.56 1x66 h GLN 54 Cb 1.31 -0.01 -0.31 0.00 0.08 0.00 0.00 27.48 28.55 1x66 h GLN 54 CO 0.17 0.33 -0.92 -1.71 0.09 0.00 0.00 178.83 176.78 1x66 n ASN 55 N -4.24 1.59 -4.32 0.06 2.85 -1.26 -4.90 115.26 105.04 1x66 n ASN 55 Ca -0.02 -2.55 -0.46 0.00 -0.11 0.00 0.00 54.58 51.45 1x66 n ASN 55 Cb 0.30 -0.39 -0.05 0.00 1.24 0.00 0.00 39.78 40.88 1x66 n ASN 55 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 1x66 s MET 56 N -1.74 2.99 0.67 1.20 1.75 -1.21 -5.03 119.30 117.93 1x66 s MET 56 Ca 0.35 -1.68 -0.17 0.00 -1.25 0.00 0.00 55.69 52.94 1x66 s MET 56 Cb 0.37 -4.29 0.00 0.00 2.84 0.00 0.00 34.83 33.76 1x66 s MET 56 CO -0.11 -1.31 1.26 -0.40 -0.65 0.00 0.00 175.02 173.82 1x66 n ASP 57 N 5.25 1.83 -0.41 1.11 5.68 -1.26 -4.61 116.55 124.14 1x66 n ASP 57 Ca -0.14 0.79 0.33 0.00 -0.50 0.00 0.00 54.79 55.28 1x66 n ASP 57 Cb 0.40 -1.54 0.62 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 0.31 1.13 0.90 6.12 0.00 -0.59 0.40 103.07 111.34 1x66 h GLY 58 Ca -0.50 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 1x66 h GLY 58 CO 0.52 -0.28 0.10 0.50 0.00 0.00 0.00 176.54 177.38 1x66 h LYS 59 N 0.16 0.43 0.00 4.80 1.79 -1.76 0.22 116.57 122.21 1x66 h LYS 59 Ca 0.74 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 59.13 1x66 h LYS 59 Cb 2.30 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.88 1x66 h LYS 59 CO -0.34 0.47 0.00 0.39 -1.08 0.00 0.00 179.45 178.90 1x66 n GLU 60 N -4.73 0.08 0.00 3.15 1.02 0.12 -2.70 120.64 117.58 1x66 n GLU 60 Ca -0.02 0.17 -0.17 0.00 -0.02 0.00 0.00 57.16 57.12 1x66 n GLU 60 Cb 0.15 -1.61 -0.14 0.00 -0.02 0.00 0.00 31.44 29.82 1x66 n GLU 60 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1x66 h LEU 61 N 0.00 0.28 -0.17 -4.62 5.85 -0.44 -3.19 115.31 113.01 1x66 h LEU 61 Ca 0.00 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.12 1x66 h LEU 61 Cb 0.46 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1x66 h LEU 61 CO 0.00 1.54 0.00 0.00 -0.34 0.00 0.00 178.44 179.64 1x66 h LYS 63 N 0.00 0.00 -6.67 0.00 2.10 -1.64 -3.47 116.57 106.89 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 0.73 0.00 0.17 0.00 -0.90 0.00 0.00 32.23 32.23 1x66 h LYS 63 CO 0.00 0.37 -0.20 -1.33 -2.00 0.00 0.00 179.45 176.29 1x66 n MET 64 N -2.96 0.59 -4.73 0.07 2.81 -1.19 -5.02 117.12 106.69 1x66 n MET 64 Ca -0.11 0.24 -0.32 0.00 -1.81 0.00 0.00 57.70 55.70 1x66 n MET 64 Cb 0.89 -1.90 -0.08 0.00 -0.71 0.00 0.00 33.22 31.42 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 -1.29 4.04 0.40 7.83 0.01 -1.26 -4.96 114.94 119.72 1x66 s ASN 65 Ca 0.71 -1.62 0.17 0.00 -0.71 0.00 0.00 52.86 51.41 1x66 s ASN 65 Cb -0.41 0.40 1.05 0.00 0.41 0.00 0.00 41.25 42.70 1x66 s ASN 65 CO 0.52 -0.80 1.83 0.50 -1.51 0.00 0.00 177.10 177.64 1x66 h LYS 66 N 1.42 0.43 0.58 -0.60 1.63 -1.95 0.19 116.57 118.28 1x66 h LYS 66 Ca -0.44 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.31 1x66 h LYS 66 Cb 1.30 -0.10 0.01 0.00 -0.60 0.00 0.00 32.23 32.84 1x66 h LYS 66 CO 0.74 0.28 -0.28 0.93 -3.45 0.00 0.00 179.45 177.68 1x66 h GLU 67 N 0.44 -0.75 -0.28 1.90 4.39 -1.98 0.45 114.58 118.75 1x66 h GLU 67 Ca 0.50 0.05 0.08 0.00 0.34 0.00 0.00 59.36 60.33 1x66 h GLU 67 Cb 1.20 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 30.01 1x66 h GLU 67 CO -0.21 -0.50 0.24 -0.44 -1.16 0.00 0.00 179.01 176.94 1x66 h ASP 68 N -1.21 0.00 0.50 1.42 3.32 -1.81 -0.48 116.42 118.15 1x66 h ASP 68 Ca -0.08 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.68 1x66 h ASP 68 Cb 0.60 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.16 1x66 h ASP 68 CO 0.13 0.00 -1.29 -0.26 -1.72 0.00 0.00 179.24 176.10 1x66 h PHE 69 N 0.00 0.66 0.00 4.55 0.04 -0.60 -3.22 116.94 118.37 1x66 h PHE 69 Ca 0.14 -0.47 0.00 0.00 2.80 0.00 0.00 57.97 60.44 1x66 h PHE 69 Cb 0.62 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.74 1x66 h PHE 69 CO 0.00 1.36 0.00 -0.07 -0.60 0.00 0.00 178.31 179.00 1x66 h LEU 70 N 0.11 0.00 -0.35 1.54 3.38 0.73 0.25 115.31 120.97 1x66 h LEU 70 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1x66 h LEU 70 Cb 2.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1x66 h LEU 70 CO 0.22 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.29 1x66 n ARG 71 N -2.82 1.24 0.00 1.13 1.74 -0.81 -4.06 116.66 113.07 1x66 n ARG 71 Ca 0.01 -0.35 0.00 0.00 -0.77 0.00 0.00 57.85 56.74 1x66 n ARG 71 Cb 0.26 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 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 -0.49 1.95 -2.44 7.54 0.00 -0.75 -5.03 120.51 121.29 1x66 n ALA 72 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.39 1x66 n ALA 72 Cb 0.17 0.15 -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 -1.32 2.00 1.02 0.00 -1.32 0.79 -0.10 115.64 116.71 1x66 s THR 73 Ca 0.00 -2.05 -0.12 0.00 -1.21 0.00 0.00 61.69 58.31 1x66 s THR 73 Cb 0.00 -1.99 0.20 0.00 -1.51 0.00 0.00 72.50 69.21 1x66 s THR 73 CO 0.00 -0.33 1.08 0.28 -2.21 0.00 0.00 174.62 173.44 1x66 s THR 74 N -2.17 2.18 0.10 5.08 -1.32 -1.23 -4.03 115.64 114.25 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 -0.05 -2.19 -0.10 0.00 -1.51 0.00 0.00 72.50 68.64 1x66 s THR 74 CO 0.08 -0.08 1.70 0.25 -2.21 0.00 0.00 174.62 174.37 1x66 h LEU 75 N -2.14 -0.27 -0.43 9.08 5.85 -1.94 0.13 115.31 125.59 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 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 42.35 1x66 h LEU 75 CO 0.48 -0.14 -0.22 0.22 -0.34 0.00 0.00 178.44 178.44 1x66 h TYR 76 N -0.18 -0.56 -0.42 1.25 5.03 -1.98 0.12 116.97 120.23 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 0.21 0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.78 1x66 h TYR 76 CO -0.15 -0.30 -0.05 -0.91 -1.32 0.00 0.00 178.16 175.44 1x66 h ASN 77 N -0.13 0.67 -0.73 -2.11 2.35 -1.86 -2.67 115.58 111.10 1x66 h ASN 77 Ca 0.21 -0.17 0.06 0.00 -0.55 0.00 0.00 56.30 55.85 1x66 h ASN 77 Cb 0.46 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 1x66 h ASN 77 CO -0.52 0.77 0.48 0.74 -1.65 0.00 0.00 177.43 177.25 1x66 h THR 78 N 0.65 1.03 -0.34 2.81 2.02 0.12 -1.04 112.91 118.15 1x66 h THR 78 Ca 0.12 -0.26 -0.16 0.00 0.77 0.00 0.00 66.41 66.88 1x66 h THR 78 Cb 0.47 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1x66 h THR 78 CO 0.02 0.14 -0.42 -0.33 0.37 0.00 0.00 175.52 175.30 1x66 h GLU 79 N 0.77 0.86 0.68 6.66 5.08 -0.91 -2.36 114.58 125.36 1x66 h GLU 79 Ca 0.31 -0.47 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1x66 h GLU 79 Cb 0.24 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.53 1x66 h GLU 79 CO -0.10 1.11 -0.33 0.28 -1.00 0.00 0.00 179.01 178.98 1x66 h VAL 80 N 0.70 0.13 -0.08 3.13 2.07 -1.19 -0.74 116.25 120.26 1x66 h VAL 80 Ca 0.05 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.32 1x66 h VAL 80 Cb 1.01 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 1x66 h VAL 80 CO 0.10 0.02 -0.36 -0.07 0.02 0.00 0.00 177.57 177.28 1x66 h LEU 81 N -1.17 -1.10 -0.48 2.57 3.38 -1.31 0.25 115.31 117.45 1x66 h LEU 81 Ca -0.09 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.11 1x66 h LEU 81 Cb 0.73 0.45 -0.07 0.00 0.09 0.00 0.00 40.66 41.86 1x66 h LEU 81 CO 0.15 -0.40 0.09 -0.07 0.09 0.00 0.00 178.44 178.31 1x66 h LEU 82 N -0.46 -0.01 -0.57 1.67 -0.00 -1.49 0.23 115.31 114.68 1x66 h LEU 82 Ca 0.08 0.09 0.01 0.00 -0.00 0.00 0.00 57.88 58.05 1x66 h LEU 82 Cb 0.59 0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 41.34 1x66 h LEU 82 CO -0.34 0.02 0.38 -1.28 -0.00 0.00 0.00 178.44 177.22 1x66 h SER 83 N 0.22 0.65 0.77 -0.43 0.87 -0.38 0.24 113.55 115.50 1x66 h SER 83 Ca 0.24 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.75 1x66 h SER 83 Cb 0.32 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1x66 h SER 83 CO -0.32 0.47 -0.37 -0.74 -0.53 0.00 0.00 176.83 175.34 1x66 h HIS 84 N 0.77 -0.96 -0.60 2.24 -0.00 0.37 -3.05 115.15 113.92 1x66 h HIS 84 Ca 0.21 -0.02 0.12 0.00 -0.00 0.00 0.00 60.37 60.68 1x66 h HIS 84 Cb -0.08 0.32 -0.04 0.00 -0.00 0.00 0.00 27.41 27.61 1x66 h HIS 84 CO -0.04 -0.60 0.41 1.25 -0.00 0.00 0.00 177.93 178.96 1x66 h LEU 85 N -1.27 0.29 -0.55 0.26 5.85 -0.55 -1.74 115.31 117.60 1x66 h LEU 85 Ca -0.11 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.73 1x66 h LEU 85 Cb 0.79 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.69 1x66 h LEU 85 CO 0.17 0.16 0.08 -1.28 -0.34 0.00 0.00 178.44 177.23 1x66 h SER 86 N 0.31 -0.08 0.23 1.25 0.87 -0.41 0.27 113.55 115.99 1x66 h SER 86 Ca 0.29 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.95 1x66 h SER 86 Cb 0.69 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1x66 h SER 86 CO -0.07 -0.02 -0.11 0.22 -0.53 0.00 0.00 176.83 176.32 1x66 h TYR 87 N 0.20 -0.29 -0.28 2.24 3.20 -1.28 -2.48 116.97 118.29 1x66 h TYR 87 Ca 0.29 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.23 1x66 h TYR 87 Cb 0.42 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1x66 h TYR 87 CO -0.27 0.07 0.30 -0.07 -1.64 0.00 0.00 178.16 176.55 1x66 h LEU 88 N -0.69 0.00 -0.10 2.82 4.07 -1.25 0.25 115.31 120.41 1x66 h LEU 88 Ca -0.03 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.75 1x66 h LEU 88 Cb 0.48 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.19 1x66 h LEU 88 CO 0.05 0.00 -0.86 0.03 -1.08 0.00 0.00 178.44 176.59 1x66 h ARG 89 N 0.00 0.00 -0.81 1.13 3.08 -0.29 -3.22 114.38 114.28 1x66 h ARG 89 Ca 0.13 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.87 1x66 h ARG 89 Cb 0.74 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.60 1x66 h ARG 89 CO -0.00 0.86 0.39 0.39 -1.07 0.00 0.00 179.97 180.53 1x66 n GLU 90 N -3.37 3.10 -3.64 0.04 -0.58 0.83 -4.89 120.64 112.14 1x66 n GLU 90 Ca 0.00 -3.07 -0.07 0.00 -0.42 0.00 0.00 57.16 53.60 1x66 n GLU 90 Cb 0.86 -2.18 -0.07 0.00 -0.57 0.00 0.00 31.44 29.48 1x66 n GLU 90 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x66 s SER 91 N -1.23 -0.74 0.02 1.62 0.15 -0.88 -5.02 113.70 107.62 1x66 s SER 91 Ca 0.55 1.25 0.00 0.00 0.70 0.00 0.00 55.95 58.45 1x66 s SER 91 Cb 0.45 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 66.06 1x66 s SER 91 CO 0.12 -0.20 0.00 -1.54 1.20 0.00 0.00 173.24 172.82 1x66 n SER 92 N 3.62 -0.19 -4.60 5.45 3.41 -1.26 -4.11 113.62 115.94 1x66 n SER 92 Ca -0.18 0.05 -0.40 0.00 -0.26 0.00 0.00 58.87 58.08 1x66 n SER 92 Cb 0.58 0.52 -0.08 0.00 -0.26 0.00 0.00 64.21 64.97 1x66 n SER 92 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x66 s SER 93 N -1.89 6.41 0.62 4.04 0.15 -1.26 -4.86 113.70 116.91 1x66 s SER 93 Ca 0.00 0.41 0.09 0.00 0.70 0.00 0.00 55.95 57.15 1x66 s SER 93 Cb 0.00 -2.28 0.11 0.00 -1.71 0.00 0.00 66.02 62.14 1x66 s SER 93 CO 0.00 -0.34 0.86 -0.83 1.20 0.00 0.00 173.24 174.13 1x66 s GLY 94 N 1.60 1.70 1.08 9.45 0.00 -1.26 -5.11 107.32 114.77 1x66 s GLY 94 Ca 0.21 -2.18 -0.15 0.00 0.00 0.00 0.00 44.72 42.60 1x66 s GLY 94 CO 0.10 -1.65 1.10 2.56 0.00 0.00 0.00 173.10 175.21 1x66 s PRO 95 N -4.79 -0.20 0.27 2.90 0.04 -1.26 -4.95 135.00 127.01 1x66 s PRO 95 Ca 0.64 0.30 -0.02 0.00 0.04 0.00 0.00 61.00 61.95 1x66 s PRO 95 Cb -0.05 -1.68 0.35 0.00 0.04 0.00 0.00 34.50 33.16 1x66 s PRO 95 CO 0.41 -3.11 1.80 0.77 0.04 0.00 0.00 177.00 176.91 1x66 h SER 96 N -2.16 0.81 -5.52 6.66 0.02 -2.07 -3.47 113.55 107.82 1x66 h SER 96 Ca -0.52 -0.16 -0.22 0.00 -0.84 0.00 0.00 61.79 60.05 1x66 h SER 96 Cb 1.32 -0.21 0.15 0.00 0.14 0.00 0.00 62.40 63.80 1x66 h SER 96 CO 0.50 0.80 -0.71 -1.20 -1.14 0.00 0.00 176.83 175.09 1x66 n SER 97 N -4.26 -6.73 0.00 3.07 7.64 -1.26 -5.34 113.62 106.74 1x66 n SER 97 Ca 0.04 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.30 1x66 n SER 97 Cb 0.24 -5.02 0.00 0.00 -1.01 0.00 0.00 64.21 58.42 1x66 n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64