#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 -1.12 -0.74 1.61 0.01 -1.26 -5.04 113.70 107.16 1x66 s SER 2 Ca 0.00 1.40 -0.02 0.00 1.31 0.00 0.00 55.95 58.64 1x66 s SER 2 Cb 0.00 2.22 0.39 0.00 0.21 0.00 0.00 66.02 68.84 1x66 s SER 2 CO 0.00 -0.21 2.05 -0.24 0.41 0.00 0.00 173.24 175.25 1x66 n SER 3 N 5.40 7.58 0.00 2.44 2.88 -1.26 -4.70 113.62 125.96 1x66 n SER 3 Ca -0.10 -3.78 0.00 0.00 -1.33 0.00 0.00 58.87 53.65 1x66 n SER 3 Cb 0.50 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 1x66 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x66 n GLY 4 N -0.68 0.93 1.26 0.46 0.00 -1.26 -4.94 105.19 100.97 1x66 n GLY 4 Ca 0.58 -0.41 0.17 0.00 0.00 0.00 0.00 46.02 46.35 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 0.79 -7.54 -2.09 1.61 7.64 -1.26 -4.14 113.62 108.63 1x66 n SER 5 Ca 0.00 0.73 -0.16 0.00 1.01 0.00 0.00 58.87 60.45 1x66 n SER 5 Cb 0.06 -3.97 0.22 0.00 -1.01 0.00 0.00 64.21 59.51 1x66 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x66 n SER 6 N -3.98 4.13 0.00 6.43 2.88 -1.26 -4.67 113.62 117.15 1x66 n SER 6 Ca -0.02 -3.38 0.00 0.00 -1.33 0.00 0.00 58.87 54.14 1x66 n SER 6 Cb 0.58 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 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 -0.68 -1.04 3.69 0.46 0.00 -1.26 -5.17 105.19 101.18 1x66 n GLY 7 Ca 0.50 0.38 -0.29 0.00 0.00 0.00 0.00 46.02 46.61 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 0.00 0.74 0.66 1.61 0.04 -1.26 -5.02 135.00 131.77 1x66 s PRO 8 Ca 0.00 0.64 -0.15 0.00 0.04 0.00 0.00 61.00 61.53 1x66 s PRO 8 Cb 0.00 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1x66 s PRO 8 CO 0.00 -2.55 1.11 -1.25 0.04 0.00 0.00 177.00 174.35 1x66 s PRO 9 N -4.95 2.78 -1.57 0.56 0.04 -1.26 -4.91 135.00 125.69 1x66 s PRO 9 Ca 0.65 1.39 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 1x66 s PRO 9 Cb -0.18 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1x66 s PRO 9 CO 0.57 -1.26 2.73 0.09 0.04 0.00 0.00 177.00 179.17 1x66 n ASN 10 N -2.45 7.25 -4.71 6.66 3.02 -1.26 -4.93 115.26 118.84 1x66 n ASN 10 Ca 0.10 -2.66 -0.42 0.00 -0.03 0.00 0.00 54.58 51.57 1x66 n ASN 10 Cb 0.52 -1.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.07 1x66 n ASN 10 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1x66 s MET 11 N 2.43 4.51 -0.29 3.52 -1.94 -1.26 -5.03 119.30 121.25 1x66 s MET 11 Ca 0.63 1.48 -0.02 0.00 -1.71 0.00 0.00 55.69 56.06 1x66 s MET 11 Cb 0.17 -3.46 0.04 0.00 2.01 0.00 0.00 34.83 33.59 1x66 s MET 11 CO -0.07 -0.14 -0.01 0.99 -0.01 0.00 0.00 175.02 175.78 1x66 s THR 12 N 1.25 3.05 0.00 2.05 2.01 -1.26 -4.84 115.64 117.89 1x66 s THR 12 Ca 0.53 -1.24 0.00 0.00 0.31 0.00 0.00 61.69 61.28 1x66 s THR 12 Cb -0.22 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.60 1x66 s THR 12 CO 0.26 -0.02 0.00 0.41 -0.69 0.00 0.00 174.62 174.58 1x66 n THR 13 N 4.66 0.00 -2.17 -0.82 -1.04 -1.26 -5.03 114.28 108.62 1x66 n THR 13 Ca -0.14 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.70 1x66 n THR 13 Cb 0.45 -0.20 -0.03 0.00 -1.82 0.00 0.00 70.33 68.73 1x66 n THR 13 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1x66 n ASN 14 N -2.33 -4.95 -3.40 8.00 3.02 -1.26 -4.90 115.26 109.44 1x66 n ASN 14 Ca 0.00 0.17 0.02 0.00 -0.03 0.00 0.00 54.58 54.74 1x66 n ASN 14 Cb 0.00 -4.23 -0.05 0.00 -0.61 0.00 0.00 39.78 34.89 1x66 n ASN 14 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1x66 s GLU 15 N -4.61 0.16 -1.21 3.52 -1.05 -1.26 -4.95 118.70 109.29 1x66 s GLU 15 Ca 0.00 0.36 -0.02 0.00 -0.15 0.00 0.00 54.97 55.16 1x66 s GLU 15 Cb 0.00 0.17 0.01 0.00 -0.44 0.00 0.00 34.13 33.87 1x66 s GLU 15 CO 0.00 -0.05 0.13 -2.13 0.95 0.00 0.00 175.26 174.16 1x66 n ARG 16 N 4.30 -2.58 -1.72 -4.83 3.00 -1.26 -4.91 116.66 108.66 1x66 n ARG 16 Ca -0.11 0.65 -0.34 0.00 -0.00 0.00 0.00 57.85 58.05 1x66 n ARG 16 Cb 0.55 -5.30 0.06 0.00 0.00 0.00 0.00 32.46 27.77 1x66 n ARG 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1x66 s ARG 17 N -5.25 2.62 -0.02 -0.14 3.52 -1.26 -4.98 118.95 113.44 1x66 s ARG 17 Ca 0.09 1.62 0.00 0.00 -0.13 0.00 0.00 55.73 57.31 1x66 s ARG 17 Cb -0.05 -1.91 -0.04 0.00 -1.56 0.00 0.00 34.95 31.40 1x66 s ARG 17 CO 0.11 -1.44 0.04 0.08 -0.81 0.00 0.00 175.30 173.28 1x66 s VAL 18 N -2.03 4.45 -0.69 7.11 1.01 -1.26 -5.07 120.40 123.91 1x66 s VAL 18 Ca 0.72 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 1x66 s VAL 18 Cb -0.26 -2.99 0.18 0.00 0.00 0.00 0.00 36.38 33.31 1x66 s VAL 18 CO 0.40 0.40 0.52 -0.63 0.00 0.00 0.00 175.10 175.80 1x66 s ILE 19 N -1.10 3.74 0.15 2.22 1.01 -1.26 -5.06 121.20 120.90 1x66 s ILE 19 Ca 0.20 -3.33 0.09 0.00 0.00 0.00 0.00 60.65 57.61 1x66 s ILE 19 Cb -0.12 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 1x66 s ILE 19 CO 0.10 -0.94 -0.21 0.68 0.00 0.00 0.00 174.94 174.58 1x66 s VAL 20 N -0.53 1.94 0.64 2.92 -7.23 -1.26 -5.12 120.40 111.76 1x66 s VAL 20 Ca 0.20 -1.83 -0.16 0.00 -1.81 0.00 0.00 61.98 58.39 1x66 s VAL 20 Cb -0.16 -1.84 -0.01 0.00 0.56 0.00 0.00 36.38 34.93 1x66 s VAL 20 CO -0.06 -0.17 1.11 -2.16 -0.31 0.00 0.00 175.10 173.51 1x66 s PRO 21 N -2.46 2.90 0.02 4.82 0.04 -1.26 -4.94 135.00 134.12 1x66 s PRO 21 Ca 0.14 1.43 -0.08 0.00 0.04 0.00 0.00 61.00 62.53 1x66 s PRO 21 Cb -0.08 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1x66 s PRO 21 CO 0.07 -1.17 1.12 0.00 0.04 0.00 0.00 177.00 177.05 1x66 h ALA 22 N 0.24 -0.68 -1.08 8.56 0.00 -1.94 -3.39 119.26 120.97 1x66 h ALA 22 Ca -0.47 -0.03 -0.65 0.00 0.00 0.00 0.00 54.91 53.76 1x66 h ALA 22 Cb 1.25 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 1x66 h ALA 22 CO 0.55 -0.70 1.45 -0.25 0.00 0.00 0.00 179.25 180.29 1x66 n ASP 23 N -3.08 2.07 0.15 0.00 8.00 -1.26 -4.75 116.55 117.68 1x66 n ASP 23 Ca -0.02 0.34 0.13 0.00 0.71 0.00 0.00 54.79 55.95 1x66 n ASP 23 Cb 0.09 -1.27 0.52 0.00 -0.02 0.00 0.00 41.12 40.45 1x66 n ASP 23 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1x66 h PRO 24 N 12.82 0.00 0.00 -0.24 0.13 -1.77 -2.64 132.00 140.31 1x66 h PRO 24 Ca -0.26 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.82 1x66 h PRO 24 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 1x66 h PRO 24 CO 1.04 0.00 -0.26 1.79 -0.23 0.00 0.00 178.00 180.35 1x66 h THR 25 N 0.00 0.47 -0.00 1.56 1.35 -1.87 -3.03 112.91 111.39 1x66 h THR 25 Ca 0.00 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.35 1x66 h THR 25 Cb 0.37 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1x66 h THR 25 CO 0.00 0.25 -0.24 0.18 -0.25 0.00 0.00 175.52 175.46 1x66 n LEU 26 N -3.21 0.57 -4.70 3.87 4.77 -0.99 -3.23 117.00 114.08 1x66 n LEU 26 Ca 0.02 -0.01 -0.44 0.00 -0.03 0.00 0.00 56.01 55.56 1x66 n LEU 26 Cb 0.58 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1x66 n LEU 26 CO 0.36 0.12 1.20 0.79 -1.33 0.00 0.00 177.39 178.53 1x66 n TRP 27 N -1.09 2.51 -1.95 -1.77 8.01 -1.15 -4.88 117.44 117.13 1x66 n TRP 27 Ca 0.10 0.26 -0.30 0.00 -1.31 0.00 0.00 57.50 56.25 1x66 n TRP 27 Cb 0.32 -2.57 0.20 0.00 -2.01 0.00 0.00 31.31 27.25 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 0.47 2.00 0.15 -0.99 -4.23 -1.26 -0.07 115.64 111.71 1x66 s THR 28 Ca 0.71 -0.02 0.32 0.00 -1.18 0.00 0.00 61.69 61.53 1x66 s THR 28 Cb -0.58 -2.99 0.33 0.00 1.34 0.00 0.00 72.50 70.60 1x66 s THR 28 CO 0.43 0.00 1.99 -0.61 -0.54 0.00 0.00 174.62 175.88 1x66 h GLN 29 N -1.68 0.00 0.05 3.99 4.15 -1.94 -2.27 115.11 117.41 1x66 h GLN 29 Ca -0.44 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 58.61 1x66 h GLN 29 Cb 1.22 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.87 1x66 h GLN 29 CO 0.35 0.00 -2.23 -1.91 -1.93 0.00 0.00 178.83 173.11 1x66 n GLU 30 N -2.67 0.70 0.08 1.69 2.13 -1.26 -4.22 120.64 117.09 1x66 n GLU 30 Ca -0.01 0.20 -0.12 0.00 0.66 0.00 0.00 57.16 57.88 1x66 n GLU 30 Cb 0.10 -1.61 -0.06 0.00 0.27 0.00 0.00 31.44 30.13 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 0.03 -0.30 -0.89 4.31 3.86 -1.76 -1.13 115.15 119.28 1x66 h HIS 31 Ca -0.50 0.01 0.24 0.00 -1.16 0.00 0.00 60.37 58.96 1x66 h HIS 31 Cb 1.98 0.12 -0.05 0.00 1.06 0.00 0.00 27.41 30.53 1x66 h HIS 31 CO 0.05 -0.18 0.62 0.28 0.86 0.00 0.00 177.93 179.56 1x66 h VAL 32 N -0.24 0.59 0.15 2.45 2.07 -1.67 0.08 116.25 119.69 1x66 h VAL 32 Ca 0.02 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1x66 h VAL 32 Cb 0.25 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1x66 h VAL 32 CO -0.07 0.02 -0.07 0.03 0.02 0.00 0.00 177.57 177.51 1x66 h ARG 33 N 0.13 -0.19 -0.73 1.57 3.08 -1.49 -3.00 114.38 113.74 1x66 h ARG 33 Ca 0.44 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.63 1x66 h ARG 33 Cb 1.52 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 31.53 1x66 h ARG 33 CO -0.06 0.14 0.29 1.96 -1.07 0.00 0.00 179.97 181.23 1x66 h GLN 34 N -0.98 0.44 -0.97 0.04 4.20 -0.51 -0.08 115.11 117.25 1x66 h GLN 34 Ca -0.02 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.71 1x66 h GLN 34 Cb 0.42 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.04 1x66 h GLN 34 CO 0.03 0.29 0.63 2.35 -0.67 0.00 0.00 178.83 181.47 1x66 h TRP 35 N 0.45 1.18 0.91 2.96 7.01 -1.11 -1.70 115.95 125.65 1x66 h TRP 35 Ca 0.39 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.38 1x66 h TRP 35 Cb 0.57 -0.39 0.01 0.00 -2.10 0.00 0.00 29.16 27.25 1x66 h TRP 35 CO -0.16 0.66 -0.44 1.25 -2.79 0.00 0.00 178.44 176.96 1x66 h LEU 36 N 1.20 -1.03 -1.99 0.65 5.85 -0.88 -0.53 115.31 118.58 1x66 h LEU 36 Ca 0.40 0.04 0.22 0.00 0.84 0.00 0.00 57.88 59.37 1x66 h LEU 36 Cb 0.05 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1x66 h LEU 36 CO -0.14 -0.72 0.56 -0.33 -0.34 0.00 0.00 178.44 177.47 1x66 h GLU 37 N -1.25 0.00 0.36 1.25 5.08 -1.28 -1.18 114.58 117.56 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 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1x66 h GLU 37 CO 0.20 0.00 -0.17 2.35 -1.00 0.00 0.00 179.01 180.39 1x66 h TRP 38 N 0.00 -0.45 -0.90 4.33 7.01 -0.90 -2.69 115.95 122.35 1x66 h TRP 38 Ca 0.36 -0.01 0.25 0.00 2.11 0.00 0.00 58.89 61.59 1x66 h TRP 38 Cb 1.48 0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 28.64 1x66 h TRP 38 CO 0.00 -0.28 0.63 0.00 -2.79 0.00 0.00 178.44 176.00 1x66 h ALA 39 N -1.29 2.68 -0.21 2.65 0.00 -0.54 0.32 119.26 122.86 1x66 h ALA 39 Ca -0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1x66 h ALA 39 Cb 0.37 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1x66 h ALA 39 CO 0.08 -0.94 -0.08 0.82 0.00 0.00 0.00 179.25 179.12 1x66 h ILE 40 N 0.10 1.30 0.00 0.00 2.04 -1.26 0.25 117.51 119.95 1x66 h ILE 40 Ca 0.44 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1x66 h ILE 40 Cb 1.57 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 1x66 h ILE 40 CO -0.06 0.34 0.00 0.07 0.00 0.00 0.00 178.15 178.51 1x66 h LYS 41 N 0.14 0.00 0.10 2.37 2.10 -0.63 0.35 116.57 121.00 1x66 h LYS 41 Ca 0.05 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.40 1x66 h LYS 41 Cb 0.56 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 1x66 h LYS 41 CO 0.03 0.00 -1.56 1.49 -2.00 0.00 0.00 179.45 177.41 1x66 h GLU 42 N 0.00 0.21 -0.64 0.07 4.57 -0.31 -3.37 114.58 115.11 1x66 h GLU 42 Ca 0.00 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 1x66 h GLU 42 Cb 0.77 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 1x66 h GLU 42 CO 0.00 1.17 0.00 0.66 -1.18 0.00 0.00 179.01 179.66 1x66 n TYR 43 N -3.88 0.87 -3.82 0.92 4.01 0.87 -4.96 117.16 111.17 1x66 n TYR 43 Ca -0.28 -0.51 -0.23 0.00 -0.16 0.00 0.00 57.90 56.72 1x66 n TYR 43 Cb 0.91 -0.02 0.01 0.00 -0.31 0.00 0.00 39.34 39.93 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 1.34 -0.81 -4.74 7.72 7.64 0.83 -4.91 113.62 120.68 1x66 n SER 44 Ca 0.21 -0.90 -0.41 0.00 1.01 0.00 0.00 58.87 58.78 1x66 n SER 44 Cb 0.59 -3.61 -0.04 0.00 -1.01 0.00 0.00 64.21 60.14 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 -6.81 4.52 0.19 -3.43 1.43 0.85 -5.00 118.68 110.43 1x66 s LEU 45 Ca 0.01 2.03 0.05 0.00 -1.03 0.00 0.00 54.13 55.19 1x66 s LEU 45 Cb -0.01 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 1x66 s LEU 45 CO 0.85 -0.13 -0.08 -0.04 0.23 0.00 0.00 176.35 177.17 1x66 s MET 46 N -0.50 1.23 -1.22 1.70 -1.94 -1.26 -4.81 119.30 112.50 1x66 s MET 46 Ca 0.47 -1.57 -0.05 0.00 -1.71 0.00 0.00 55.69 52.83 1x66 s MET 46 Cb -0.28 -0.77 0.01 0.00 2.01 0.00 0.00 34.83 35.79 1x66 s MET 46 CO 0.34 0.05 0.71 0.39 -0.01 0.00 0.00 175.02 176.50 1x66 n GLU 47 N -0.33 -5.14 -4.63 2.03 1.02 -1.26 -4.62 120.64 107.71 1x66 n GLU 47 Ca -0.08 0.73 -0.34 0.00 -0.02 0.00 0.00 57.16 57.45 1x66 n GLU 47 Cb 0.62 -5.30 -0.12 0.00 -0.02 0.00 0.00 31.44 26.62 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 -3.15 3.56 -0.68 -3.67 2.07 -1.26 -3.60 121.20 114.47 1x66 s ILE 48 Ca 0.35 -0.51 -0.20 0.00 -1.41 0.00 0.00 60.65 58.88 1x66 s ILE 48 Cb -0.15 -2.48 0.10 0.00 0.13 0.00 0.00 42.46 40.06 1x66 s ILE 48 CO 0.43 0.56 0.85 -1.81 -1.91 0.00 0.00 174.94 173.07 1x66 s ASP 49 N -0.34 6.28 0.43 4.50 1.11 0.42 -4.87 116.67 124.21 1x66 s ASP 49 Ca 0.05 -1.46 0.23 0.00 0.18 0.00 0.00 52.55 51.54 1x66 s ASP 49 Cb -0.12 -2.35 0.94 0.00 1.07 0.00 0.00 42.92 42.45 1x66 s ASP 49 CO 0.02 -1.18 1.84 0.71 1.18 0.00 0.00 175.17 177.74 1x66 h THR 50 N 5.87 0.67 0.00 -1.27 1.35 -1.98 -2.76 112.91 114.79 1x66 h THR 50 Ca -0.20 -1.14 -0.03 0.00 -0.55 0.00 0.00 66.41 64.49 1x66 h THR 50 Cb 1.07 1.74 -0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1x66 h THR 50 CO 1.11 0.25 -0.16 -1.28 -0.25 0.00 0.00 175.52 175.19 1x66 h SER 51 N 0.00 0.00 0.41 5.36 0.87 -1.98 -1.90 113.55 116.31 1x66 h SER 51 Ca -0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1x66 h SER 51 Cb 0.72 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1x66 h SER 51 CO 0.03 0.16 -0.14 0.15 -0.53 0.00 0.00 176.83 176.50 1x66 h PHE 52 N 0.00 0.00 -0.24 2.24 3.04 -1.89 -2.30 116.94 117.78 1x66 h PHE 52 Ca -0.00 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 1x66 h PHE 52 Cb 0.38 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.86 1x66 h PHE 52 CO 0.00 0.14 -0.04 1.19 -2.02 0.00 0.00 178.31 177.58 1x66 n PHE 53 N -3.65 0.81 0.22 0.41 3.01 -0.73 -4.61 117.46 112.92 1x66 n PHE 53 Ca -0.02 -1.17 0.09 0.00 1.01 0.00 0.00 57.45 57.37 1x66 n PHE 53 Cb 0.26 -0.35 0.49 0.00 -0.01 0.00 0.00 39.48 39.88 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 1.21 0.00 -0.15 -1.08 3.07 -1.21 -3.25 115.11 113.70 1x66 h GLN 54 Ca 0.08 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.62 1x66 h GLN 54 Cb 1.43 0.00 -0.37 0.00 0.08 0.00 0.00 27.48 28.62 1x66 h GLN 54 CO 0.24 0.24 -1.02 -1.71 0.09 0.00 0.00 178.83 176.67 1x66 n ASN 55 N -3.54 1.32 -4.31 0.06 2.85 -1.26 -4.91 115.26 105.46 1x66 n ASN 55 Ca -0.01 -2.17 -0.46 0.00 -0.11 0.00 0.00 54.58 51.83 1x66 n ASN 55 Cb 0.40 -0.37 -0.05 0.00 1.24 0.00 0.00 39.78 41.00 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 -1.41 3.01 0.66 1.20 1.75 -1.23 -5.02 119.30 118.26 1x66 s MET 56 Ca 0.33 -1.72 -0.18 0.00 -1.25 0.00 0.00 55.69 52.87 1x66 s MET 56 Cb 0.37 -4.30 -0.01 0.00 2.84 0.00 0.00 34.83 33.73 1x66 s MET 56 CO -0.12 -1.34 1.26 -0.40 -0.65 0.00 0.00 175.02 173.78 1x66 n ASP 57 N 5.25 1.90 -0.39 1.11 5.68 -1.26 -4.63 116.55 124.20 1x66 n ASP 57 Ca -0.13 0.81 0.31 0.00 -0.50 0.00 0.00 54.79 55.28 1x66 n ASP 57 Cb 0.40 -1.54 0.59 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 0.41 1.44 0.93 6.12 0.00 -0.61 0.37 103.07 111.72 1x66 h GLY 58 Ca -0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 1x66 h GLY 58 CO 0.52 -0.37 0.12 0.50 0.00 0.00 0.00 176.54 177.32 1x66 h LYS 59 N 0.19 0.36 0.00 4.80 1.79 -1.74 -1.21 116.57 120.76 1x66 h LYS 59 Ca 0.75 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 59.17 1x66 h LYS 59 Cb 2.16 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.74 1x66 h LYS 59 CO -0.43 0.35 0.00 0.39 -1.08 0.00 0.00 179.45 178.68 1x66 n GLU 60 N -4.82 0.06 0.01 3.15 1.02 0.11 -2.63 120.64 117.54 1x66 n GLU 60 Ca -0.03 0.19 -0.05 0.00 -0.02 0.00 0.00 57.16 57.25 1x66 n GLU 60 Cb 0.10 -1.59 -0.11 0.00 -0.02 0.00 0.00 31.44 29.81 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 0.00 0.00 -4.62 5.85 -0.31 -3.14 115.31 113.09 1x66 h LEU 61 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1x66 h LEU 61 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1x66 h LEU 61 CO 0.00 0.86 -0.56 0.00 -0.34 0.00 0.00 178.44 178.40 1x66 n LYS 63 N -2.10 0.63 -0.94 0.00 2.85 -1.08 -4.94 118.16 112.58 1x66 n LYS 63 Ca 0.04 0.29 -0.34 0.00 -1.05 0.00 0.00 58.31 57.24 1x66 n LYS 63 Cb 0.43 -1.80 0.11 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 -3.01 -0.10 -4.56 -1.58 2.81 -1.19 -5.03 117.12 104.45 1x66 n MET 64 Ca -0.15 0.02 -0.27 0.00 -1.81 0.00 0.00 57.70 55.48 1x66 n MET 64 Cb 1.00 -1.86 -0.08 0.00 -0.71 0.00 0.00 33.22 31.58 1x66 n MET 64 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1x66 s ASN 65 N -1.85 3.07 0.34 7.83 2.20 -1.26 -4.98 114.94 120.29 1x66 s ASN 65 Ca 0.60 -1.69 0.09 0.00 -0.94 0.00 0.00 52.86 50.92 1x66 s ASN 65 Cb -0.25 0.53 0.83 0.00 -2.00 0.00 0.00 41.25 40.36 1x66 s ASN 65 CO 0.64 -0.93 1.81 0.50 -2.94 0.00 0.00 177.10 176.18 1x66 h LYS 66 N 1.69 0.66 0.64 3.55 3.64 -1.95 0.21 116.57 125.01 1x66 h LYS 66 Ca -0.37 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.94 1x66 h LYS 66 Cb 1.28 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.96 1x66 h LYS 66 CO 0.59 0.44 -0.31 0.93 -2.27 0.00 0.00 179.45 178.84 1x66 h GLU 67 N 0.68 -0.83 -0.60 1.90 4.39 -1.97 0.24 114.58 118.39 1x66 h GLU 67 Ca 0.54 0.06 0.15 0.00 0.34 0.00 0.00 59.36 60.44 1x66 h GLU 67 Cb 0.94 0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.75 1x66 h GLU 67 CO -0.30 -0.55 0.42 -0.44 -1.16 0.00 0.00 179.01 176.98 1x66 h ASP 68 N -1.20 0.12 0.66 1.42 3.32 -1.84 0.22 116.42 119.12 1x66 h ASP 68 Ca -0.09 0.01 -0.26 0.00 0.02 0.00 0.00 57.03 56.71 1x66 h ASP 68 Cb 0.66 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 1x66 h ASP 68 CO 0.14 0.07 -1.19 -0.26 -1.72 0.00 0.00 179.24 176.28 1x66 h PHE 69 N 0.13 0.43 0.00 4.55 0.04 -0.53 -3.20 116.94 118.37 1x66 h PHE 69 Ca 0.29 -0.31 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1x66 h PHE 69 Cb 0.95 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.08 1x66 h PHE 69 CO -0.00 1.23 0.00 -0.07 -0.60 0.00 0.00 178.31 178.87 1x66 h LEU 70 N 0.07 0.00 -0.32 1.54 3.38 0.15 0.24 115.31 120.38 1x66 h LEU 70 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1x66 h LEU 70 Cb 1.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1x66 h LEU 70 CO 0.19 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.26 1x66 n ARG 71 N -2.68 1.22 0.00 1.13 1.74 -0.77 -4.08 116.66 113.22 1x66 n ARG 71 Ca 0.01 -0.32 0.00 0.00 -0.77 0.00 0.00 57.85 56.77 1x66 n ARG 71 Cb 0.24 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1x66 n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x66 n ALA 72 N -0.55 1.94 -2.44 7.54 0.00 -0.73 -5.03 120.51 121.25 1x66 n ALA 72 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.39 1x66 n ALA 72 Cb 0.17 0.14 -0.11 0.00 0.00 0.00 0.00 19.45 19.64 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 2.15 1.03 0.00 -1.32 0.78 -0.43 115.64 116.57 1x66 s THR 73 Ca 0.00 -2.07 -0.12 0.00 -1.21 0.00 0.00 61.69 58.29 1x66 s THR 73 Cb 0.00 -2.05 0.21 0.00 -1.51 0.00 0.00 72.50 69.14 1x66 s THR 73 CO 0.00 -0.27 1.08 0.28 -2.21 0.00 0.00 174.62 173.50 1x66 s THR 74 N -2.03 2.18 0.10 5.08 -1.32 -1.24 -4.03 115.64 114.38 1x66 s THR 74 Ca 0.21 0.06 -0.26 0.00 -1.21 0.00 0.00 61.69 60.49 1x66 s THR 74 Cb -0.06 -2.21 -0.12 0.00 -1.51 0.00 0.00 72.50 68.60 1x66 s THR 74 CO 0.09 -0.08 1.68 0.25 -2.21 0.00 0.00 174.62 174.36 1x66 h LEU 75 N -2.15 -0.42 -0.47 9.08 5.85 -1.95 0.74 115.31 125.98 1x66 h LEU 75 Ca -0.53 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.33 1x66 h LEU 75 Cb 1.30 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 42.39 1x66 h LEU 75 CO 0.49 -0.24 -0.18 0.22 -0.34 0.00 0.00 178.44 178.39 1x66 h TYR 76 N -0.34 -0.43 -0.50 1.25 5.03 -1.99 0.38 116.97 120.36 1x66 h TYR 76 Ca 0.01 0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.31 1x66 h TYR 76 Cb 0.33 0.26 -0.02 0.00 1.55 0.00 0.00 36.73 38.85 1x66 h TYR 76 CO -0.14 -0.27 0.09 -0.91 -1.32 0.00 0.00 178.16 175.62 1x66 h ASN 77 N -0.07 0.73 -0.86 -2.11 2.35 -1.86 -2.71 115.58 111.05 1x66 h ASN 77 Ca 0.23 -0.14 0.05 0.00 -0.55 0.00 0.00 56.30 55.89 1x66 h ASN 77 Cb 0.42 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.54 1x66 h ASN 77 CO -0.53 0.74 0.54 0.74 -1.65 0.00 0.00 177.43 177.28 1x66 h THR 78 N 0.75 1.08 -0.52 2.81 2.02 0.12 -0.41 112.91 118.77 1x66 h THR 78 Ca 0.16 -0.35 -0.07 0.00 0.77 0.00 0.00 66.41 66.93 1x66 h THR 78 Cb 0.32 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 1x66 h THR 78 CO 0.00 0.19 0.05 -0.33 0.37 0.00 0.00 175.52 175.80 1x66 h GLU 79 N 1.01 0.84 0.25 6.66 5.08 -0.95 -1.00 114.58 126.47 1x66 h GLU 79 Ca 0.36 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1x66 h GLU 79 Cb 0.10 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1x66 h GLU 79 CO -0.15 0.81 -0.12 0.28 -1.00 0.00 0.00 179.01 178.83 1x66 h VAL 80 N 0.79 0.78 0.28 3.13 2.07 -1.17 -1.11 116.25 121.02 1x66 h VAL 80 Ca 0.16 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1x66 h VAL 80 Cb 0.41 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1x66 h VAL 80 CO 0.01 0.15 -0.27 -0.07 0.02 0.00 0.00 177.57 177.41 1x66 h LEU 81 N -0.74 -0.72 -0.60 2.57 3.38 -1.08 0.25 115.31 118.38 1x66 h LEU 81 Ca -0.03 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1x66 h LEU 81 Cb 0.50 0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 1x66 h LEU 81 CO 0.06 -0.39 0.25 -0.07 0.09 0.00 0.00 178.44 178.38 1x66 h LEU 82 N -0.58 0.30 -0.31 1.67 -0.00 -1.27 0.79 115.31 115.91 1x66 h LEU 82 Ca -0.01 0.06 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1x66 h LEU 82 Cb 0.53 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 1x66 h LEU 82 CO -0.05 0.19 0.14 -1.28 -0.00 0.00 0.00 178.44 177.43 1x66 h SER 83 N 0.46 0.42 0.70 -0.43 0.87 -0.86 -0.71 113.55 114.00 1x66 h SER 83 Ca 0.29 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 1x66 h SER 83 Cb 0.31 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1x66 h SER 83 CO -0.26 0.45 -0.34 -0.74 -0.53 0.00 0.00 176.83 175.42 1x66 h HIS 84 N 0.36 -0.87 -0.10 2.24 -0.00 0.14 -2.32 115.15 114.59 1x66 h HIS 84 Ca 0.11 -0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.48 1x66 h HIS 84 Cb 0.16 0.29 -0.00 0.00 -0.00 0.00 0.00 27.41 27.85 1x66 h HIS 84 CO -0.01 -0.54 0.12 1.25 -0.00 0.00 0.00 177.93 178.74 1x66 h LEU 85 N -0.94 0.00 -0.66 0.26 5.85 -0.85 -1.84 115.31 117.12 1x66 h LEU 85 Ca -0.10 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.69 1x66 h LEU 85 Cb 0.72 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 1x66 h LEU 85 CO 0.16 0.00 0.35 -1.28 -0.34 0.00 0.00 178.44 177.33 1x66 h SER 86 N 0.00 0.51 0.10 1.25 0.87 -0.54 0.24 113.55 115.98 1x66 h SER 86 Ca 0.05 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1x66 h SER 86 Cb 0.28 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1x66 h SER 86 CO -0.00 0.32 -0.05 0.22 -0.53 0.00 0.00 176.83 176.79 1x66 h TYR 87 N 0.64 -0.13 -0.94 2.24 3.20 -1.32 -2.77 116.97 117.90 1x66 h TYR 87 Ca 0.30 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.37 1x66 h TYR 87 Cb 0.23 0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.46 1x66 h TYR 87 CO -0.09 0.36 0.61 -0.07 -1.64 0.00 0.00 178.16 177.32 1x66 h LEU 88 N -0.89 0.53 -0.62 2.82 4.07 -1.41 0.20 115.31 120.01 1x66 h LEU 88 Ca -0.01 0.06 -0.14 0.00 0.08 0.00 0.00 57.88 57.86 1x66 h LEU 88 Cb 0.55 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 1x66 h LEU 88 CO 0.02 0.21 -0.50 0.03 -1.08 0.00 0.00 178.44 177.13 1x66 h ARG 89 N 0.53 0.49 -0.99 1.13 3.08 -0.58 -3.01 114.38 115.03 1x66 h ARG 89 Ca 0.50 -0.29 -0.54 0.00 0.07 0.00 0.00 59.98 59.73 1x66 h ARG 89 Cb 1.07 0.02 -0.31 0.00 0.08 0.00 0.00 29.97 30.84 1x66 h ARG 89 CO -0.24 0.88 0.68 0.39 -1.07 0.00 0.00 179.97 180.61 1x66 n GLU 90 N -3.98 2.30 -3.40 0.04 -0.58 0.56 -4.72 120.64 110.86 1x66 n GLU 90 Ca -0.02 -3.05 -0.22 0.00 -0.42 0.00 0.00 57.16 53.45 1x66 n GLU 90 Cb 0.57 -2.19 -0.09 0.00 -0.57 0.00 0.00 31.44 29.15 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 -1.38 1.91 0.00 1.62 0.15 -0.36 -4.94 113.70 110.69 1x66 s SER 91 Ca 0.58 -1.79 0.00 0.00 0.70 0.00 0.00 55.95 55.43 1x66 s SER 91 Cb 0.48 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 1x66 s SER 91 CO 0.09 -0.28 0.00 -1.54 1.20 0.00 0.00 173.24 172.71 1x66 n SER 92 N 4.20 0.00 -0.16 5.45 3.41 -1.26 -4.24 113.62 121.02 1x66 n SER 92 Ca 0.11 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.61 1x66 n SER 92 Cb 0.42 0.14 -0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1x66 n SER 92 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1x66 h SER 93 N 0.00 1.00 -4.56 4.04 0.02 -1.97 -3.49 113.55 108.59 1x66 h SER 93 Ca 0.00 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1x66 h SER 93 Cb 0.00 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.27 1x66 h SER 93 CO 0.00 1.15 0.00 0.61 -1.14 0.00 0.00 176.83 177.45 1x66 n GLY 94 N -0.16 -0.09 3.77 -3.77 0.00 -1.26 -4.99 105.19 98.69 1x66 n GLY 94 Ca 0.00 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.10 2.90 0.00 1.61 0.04 -1.26 -4.98 135.00 131.21 1x66 s PRO 95 Ca 0.00 1.43 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 1x66 s PRO 95 Cb 0.00 -1.96 -0.32 0.00 0.04 0.00 0.00 34.50 32.26 1x66 s PRO 95 CO 0.00 -1.18 0.87 0.66 0.04 0.00 0.00 177.00 177.39 1x66 h SER 96 N 0.23 0.64 -1.63 6.66 4.64 -2.06 -3.43 113.55 118.60 1x66 h SER 96 Ca -0.47 -0.81 -0.47 0.00 -0.47 0.00 0.00 61.79 59.57 1x66 h SER 96 Cb 1.25 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1x66 h SER 96 CO 0.55 1.66 1.63 -0.44 -0.87 0.00 0.00 176.83 179.36 1x66 s SER 97 N -7.33 4.46 0.00 4.97 0.01 -1.26 -5.33 113.70 109.22 1x66 s SER 97 Ca -0.11 1.12 0.00 0.00 1.31 0.00 0.00 55.95 58.27 1x66 s SER 97 Cb 0.05 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1x66 s SER 97 CO 0.89 -2.86 0.00 0.61 0.41 0.00 0.00 173.24 172.29