#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 -2.74 -2.74 1.61 7.64 -1.26 -4.74 113.62 111.39 1x66 n SER 2 Ca 0.00 1.33 -0.01 0.00 1.01 0.00 0.00 58.87 61.20 1x66 n SER 2 Cb 0.00 -5.15 -0.01 0.00 -1.01 0.00 0.00 64.21 58.04 1x66 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x66 n SER 3 N 1.33 -7.08 -3.31 6.43 7.64 -1.26 -5.06 113.62 112.32 1x66 n SER 3 Ca -0.28 1.37 0.03 0.00 1.01 0.00 0.00 58.87 60.99 1x66 n SER 3 Cb 0.44 -5.10 -0.02 0.00 -1.01 0.00 0.00 64.21 58.52 1x66 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x66 s GLY 4 N -1.48 -0.81 0.38 0.23 0.00 -1.26 -5.15 107.32 99.23 1x66 s GLY 4 Ca -0.03 2.15 -0.27 0.00 0.00 0.00 0.00 44.72 46.57 1x66 s GLY 4 CO 0.74 3.32 1.30 -1.35 0.00 0.00 0.00 173.10 177.11 1x66 s SER 5 N 2.85 6.49 -0.30 1.64 1.04 -1.26 -4.90 113.70 119.27 1x66 s SER 5 Ca 0.10 2.65 -0.16 0.00 0.48 0.00 0.00 55.95 59.02 1x66 s SER 5 Cb -0.13 -2.64 0.20 0.00 0.10 0.00 0.00 66.02 63.55 1x66 s SER 5 CO -0.19 -0.72 1.22 -0.94 0.98 0.00 0.00 173.24 173.58 1x66 s SER 6 N -0.66 -0.13 -0.82 7.02 1.04 -1.26 -5.10 113.70 113.79 1x66 s SER 6 Ca 0.54 0.21 0.01 0.00 0.48 0.00 0.00 55.95 57.19 1x66 s SER 6 Cb -0.38 1.04 0.23 0.00 0.10 0.00 0.00 66.02 67.01 1x66 s SER 6 CO 0.50 -0.03 0.83 0.61 0.98 0.00 0.00 173.24 176.13 1x66 n GLY 7 N 3.15 4.46 3.69 7.32 0.00 -1.26 -5.08 105.19 117.48 1x66 n GLY 7 Ca -0.17 -2.66 -0.29 0.00 0.00 0.00 0.00 46.02 42.90 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 -1.93 0.73 -1.15 1.61 0.04 -1.26 -4.88 135.00 128.16 1x66 s PRO 8 Ca 0.31 0.63 -0.23 0.00 0.04 0.00 0.00 61.00 61.76 1x66 s PRO 8 Cb 0.01 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.71 1x66 s PRO 8 CO -0.07 -2.55 1.94 -1.25 0.04 0.00 0.00 177.00 175.11 1x66 s PRO 9 N -4.95 2.50 -0.77 0.56 0.04 -1.26 -4.90 135.00 126.22 1x66 s PRO 9 Ca 0.65 -1.06 -0.26 0.00 0.04 0.00 0.00 61.00 60.37 1x66 s PRO 9 Cb -0.18 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1x66 s PRO 9 CO 0.57 -3.92 1.63 1.21 0.04 0.00 0.00 177.00 176.54 1x66 s ASN 10 N 6.68 5.72 -0.06 6.66 3.84 -1.26 -4.97 114.94 131.54 1x66 s ASN 10 Ca 0.69 -0.37 -0.13 0.00 0.21 0.00 0.00 52.86 53.25 1x66 s ASN 10 Cb -0.01 -2.55 -0.05 0.00 -0.55 0.00 0.00 41.25 38.08 1x66 s ASN 10 CO 0.12 -2.14 0.33 -0.04 -2.79 0.00 0.00 177.10 172.58 1x66 s MET 11 N 6.31 3.90 -0.27 0.43 -1.94 -1.26 -5.07 119.30 121.39 1x66 s MET 11 Ca 0.54 0.24 -0.03 0.00 -1.71 0.00 0.00 55.69 54.73 1x66 s MET 11 Cb -0.08 -3.27 0.02 0.00 2.01 0.00 0.00 34.83 33.52 1x66 s MET 11 CO 0.10 0.59 -0.00 0.99 -0.01 0.00 0.00 175.02 176.69 1x66 s THR 12 N -0.68 3.26 0.04 2.05 2.01 -1.26 -5.06 115.64 116.00 1x66 s THR 12 Ca 0.21 -0.96 -0.28 0.00 0.31 0.00 0.00 61.69 60.96 1x66 s THR 12 Cb -0.15 -2.69 0.10 0.00 0.01 0.00 0.00 72.50 69.77 1x66 s THR 12 CO 0.09 0.12 1.19 0.28 -0.69 0.00 0.00 174.62 175.61 1x66 s THR 13 N 1.38 0.00 0.06 -0.82 -1.32 -1.26 -5.07 115.64 108.60 1x66 s THR 13 Ca 0.00 -0.35 -0.25 0.00 -1.21 0.00 0.00 61.69 59.89 1x66 s THR 13 Cb -0.17 -2.16 -0.12 0.00 -1.51 0.00 0.00 72.50 68.54 1x66 s THR 13 CO -0.02 0.00 1.38 0.78 -2.21 0.00 0.00 174.62 174.55 1x66 h ASN 14 N 2.00 -0.95 -4.85 8.08 -0.26 -2.03 -3.47 115.58 114.10 1x66 h ASN 14 Ca -0.28 0.08 0.02 0.00 -0.56 0.00 0.00 56.30 55.55 1x66 h ASN 14 Cb 1.21 0.31 -0.14 0.00 -1.06 0.00 0.00 38.32 38.64 1x66 h ASN 14 CO 0.29 -0.46 0.31 -1.83 -1.06 0.00 0.00 177.43 174.67 1x66 s GLU 15 N -4.94 1.08 -0.28 0.81 -1.05 -1.26 -5.07 118.70 107.99 1x66 s GLU 15 Ca -0.12 -0.29 -0.00 0.00 -0.15 0.00 0.00 54.97 54.41 1x66 s GLU 15 Cb 0.03 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 1x66 s GLU 15 CO 0.41 -0.45 0.01 0.54 0.95 0.00 0.00 175.26 176.72 1x66 n ARG 16 N -0.10 -3.20 -0.46 -4.83 5.12 -1.26 -4.95 116.66 106.97 1x66 n ARG 16 Ca -0.15 2.61 0.05 0.00 -1.93 0.00 0.00 57.85 58.43 1x66 n ARG 16 Cb 0.63 -4.98 0.21 0.00 -1.16 0.00 0.00 32.46 27.15 1x66 n ARG 16 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1x66 n ARG 17 N 0.76 2.05 -1.22 5.56 1.85 -1.26 -5.07 116.66 119.33 1x66 n ARG 17 Ca 0.00 -2.92 0.01 0.00 -1.00 0.00 0.00 57.85 53.94 1x66 n ARG 17 Cb 0.05 -1.72 -0.01 0.00 -1.05 0.00 0.00 32.46 29.73 1x66 n ARG 17 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1x66 n VAL 18 N -0.99 -2.17 -3.76 8.89 0.31 -1.26 -4.89 118.33 114.46 1x66 n VAL 18 Ca 0.23 1.11 -0.29 0.00 -0.01 0.00 0.00 64.34 65.38 1x66 n VAL 18 Cb 0.85 -1.84 -0.13 0.00 -0.91 0.00 0.00 33.84 31.81 1x66 n VAL 18 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1x66 s ILE 19 N -5.04 1.82 0.17 2.52 1.01 -1.26 -5.08 121.20 115.35 1x66 s ILE 19 Ca 0.00 -3.05 0.11 0.00 0.00 0.00 0.00 60.65 57.70 1x66 s ILE 19 Cb 0.00 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 1x66 s ILE 19 CO 0.00 -0.93 -0.21 0.68 0.00 0.00 0.00 174.94 174.48 1x66 s VAL 20 N -0.15 2.57 0.72 2.92 -7.23 -1.26 -5.12 120.40 112.84 1x66 s VAL 20 Ca 0.20 -1.85 -0.13 0.00 -1.81 0.00 0.00 61.98 58.40 1x66 s VAL 20 Cb -0.18 -2.22 0.03 0.00 0.56 0.00 0.00 36.38 34.57 1x66 s VAL 20 CO -0.05 -0.05 1.10 -2.16 -0.31 0.00 0.00 175.10 173.62 1x66 s PRO 21 N -2.54 2.52 0.02 4.82 0.04 -1.26 -4.97 135.00 133.63 1x66 s PRO 21 Ca 0.20 1.27 -0.08 0.00 0.04 0.00 0.00 61.00 62.44 1x66 s PRO 21 Cb -0.09 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1x66 s PRO 21 CO 0.10 -1.46 1.12 0.00 0.04 0.00 0.00 177.00 176.81 1x66 h ALA 22 N -0.58 -0.73 -2.27 8.56 0.00 -1.95 -3.41 119.26 118.88 1x66 h ALA 22 Ca -0.45 -0.03 -0.57 0.00 0.00 0.00 0.00 54.91 53.86 1x66 h ALA 22 Cb 1.24 0.46 0.03 0.00 0.00 0.00 0.00 17.79 19.52 1x66 h ALA 22 CO 0.53 -0.75 1.07 -0.25 0.00 0.00 0.00 179.25 179.85 1x66 n ASP 23 N -3.03 3.69 0.05 0.00 8.00 -1.26 -4.78 116.55 119.22 1x66 n ASP 23 Ca -0.02 0.99 -0.05 0.00 0.71 0.00 0.00 54.79 56.42 1x66 n ASP 23 Cb 0.09 -1.46 0.16 0.00 -0.02 0.00 0.00 41.12 39.89 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 8.65 0.36 0.00 -0.24 0.13 -1.79 -2.84 132.00 136.27 1x66 h PRO 24 Ca -0.47 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1x66 h PRO 24 Cb 1.25 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x66 h PRO 24 CO 0.94 0.74 0.00 1.79 -0.23 0.00 0.00 178.00 181.24 1x66 h THR 25 N 0.30 0.00 -0.14 1.56 1.35 -1.90 0.10 112.91 114.18 1x66 h THR 25 Ca 0.02 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1x66 h THR 25 Cb 0.90 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1x66 h THR 25 CO 0.08 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.53 1x66 n LEU 26 N -2.67 1.71 -4.72 3.87 4.77 -1.07 -4.14 117.00 114.75 1x66 n LEU 26 Ca -0.02 -0.69 -0.42 0.00 -0.03 0.00 0.00 56.01 54.86 1x66 n LEU 26 Cb 0.09 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1x66 n LEU 26 CO 0.16 0.34 0.75 0.26 -1.33 0.00 0.00 177.39 177.58 1x66 s TRP 27 N -1.82 3.62 0.93 -1.77 0.51 0.36 -4.95 118.94 115.82 1x66 s TRP 27 Ca 0.34 1.60 -0.15 0.00 -2.12 0.00 0.00 56.10 55.76 1x66 s TRP 27 Cb 0.18 -3.22 0.21 0.00 -0.81 0.00 0.00 33.47 29.84 1x66 s TRP 27 CO 0.28 -0.42 1.27 0.25 -0.51 0.00 0.00 176.95 177.82 1x66 n THR 28 N 3.29 0.00 0.27 2.01 -2.24 -1.26 -0.11 114.28 116.25 1x66 n THR 28 Ca 0.05 -0.97 0.17 0.00 -2.27 0.00 0.00 64.05 61.03 1x66 n THR 28 Cb 0.48 -1.50 0.87 0.00 -2.10 0.00 0.00 70.33 68.08 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 -1.93 -2.56 115.11 114.03 1x66 h GLN 29 Ca -0.41 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 58.63 1x66 h GLN 29 Cb 1.15 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.79 1x66 h GLN 29 CO 0.30 0.00 -2.17 -1.91 -1.93 0.00 0.00 178.83 173.12 1x66 n GLU 30 N -2.70 0.66 -0.08 1.69 2.13 -1.26 -4.30 120.64 116.78 1x66 n GLU 30 Ca -0.02 0.27 -0.07 0.00 0.66 0.00 0.00 57.16 58.01 1x66 n GLU 30 Cb 0.10 -1.61 -0.00 0.00 0.27 0.00 0.00 31.44 30.20 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 -0.30 -0.41 -0.88 4.31 3.86 -1.81 0.12 115.15 120.04 1x66 h HIS 31 Ca -0.52 0.04 0.26 0.00 -1.16 0.00 0.00 60.37 58.98 1x66 h HIS 31 Cb 1.81 0.23 -0.04 0.00 1.06 0.00 0.00 27.41 30.47 1x66 h HIS 31 CO 0.03 -0.24 0.64 0.28 0.86 0.00 0.00 177.93 179.50 1x66 h VAL 32 N -0.12 0.55 0.04 2.45 2.07 -1.70 0.41 116.25 119.95 1x66 h VAL 32 Ca 0.16 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 1x66 h VAL 32 Cb 0.37 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1x66 h VAL 32 CO -0.39 0.00 -0.02 0.03 0.02 0.00 0.00 177.57 177.21 1x66 h ARG 33 N 0.00 -0.06 -0.60 1.57 3.08 -1.00 -3.12 114.38 114.25 1x66 h ARG 33 Ca 0.42 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.57 1x66 h ARG 33 Cb 1.69 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 31.68 1x66 h ARG 33 CO -0.00 0.43 0.21 1.96 -1.07 0.00 0.00 179.97 181.49 1x66 h GLN 34 N -0.97 0.36 -0.97 0.04 4.20 -0.35 -0.69 115.11 116.73 1x66 h GLN 34 Ca -0.01 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.76 1x66 h GLN 34 Cb 0.51 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.14 1x66 h GLN 34 CO 0.01 0.24 0.63 2.35 -0.67 0.00 0.00 178.83 181.39 1x66 h TRP 35 N 0.37 1.13 0.86 2.96 7.01 -1.08 -1.53 115.95 125.68 1x66 h TRP 35 Ca 0.31 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.29 1x66 h TRP 35 Cb 0.39 -0.37 0.01 0.00 -2.10 0.00 0.00 29.16 27.09 1x66 h TRP 35 CO -0.18 0.56 -0.42 1.25 -2.79 0.00 0.00 178.44 176.86 1x66 h LEU 36 N 1.08 -0.98 -1.99 0.65 5.85 -1.08 -1.14 115.31 117.70 1x66 h LEU 36 Ca 0.43 0.03 0.22 0.00 0.84 0.00 0.00 57.88 59.41 1x66 h LEU 36 Cb 0.26 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1x66 h LEU 36 CO -0.18 -0.66 0.57 -0.33 -0.34 0.00 0.00 178.44 177.49 1x66 h GLU 37 N -1.24 0.00 0.38 1.25 5.08 -1.22 -1.32 114.58 117.51 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 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1x66 h GLU 37 CO 0.19 0.00 -0.18 2.35 -1.00 0.00 0.00 179.01 180.37 1x66 h TRP 38 N 0.00 -0.47 -0.87 4.33 7.01 -0.95 -2.34 115.95 122.66 1x66 h TRP 38 Ca 0.37 -0.01 0.25 0.00 2.11 0.00 0.00 58.89 61.60 1x66 h TRP 38 Cb 1.50 0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 28.68 1x66 h TRP 38 CO 0.00 -0.29 0.62 0.00 -2.79 0.00 0.00 178.44 175.98 1x66 h ALA 39 N -1.36 2.79 -0.08 2.65 0.00 -0.66 0.31 119.26 122.92 1x66 h ALA 39 Ca -0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1x66 h ALA 39 Cb 0.39 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1x66 h ALA 39 CO 0.09 -1.04 -0.10 0.82 0.00 0.00 0.00 179.25 179.01 1x66 h ILE 40 N 0.02 1.39 0.00 0.00 2.04 -1.26 0.24 117.51 119.94 1x66 h ILE 40 Ca 0.42 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1x66 h ILE 40 Cb 1.64 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.80 1x66 h ILE 40 CO -0.01 0.37 0.00 0.07 0.00 0.00 0.00 178.15 178.57 1x66 h LYS 41 N -0.25 0.00 0.00 2.37 2.10 -0.50 0.34 116.57 120.63 1x66 h LYS 41 Ca 0.01 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.50 1x66 h LYS 41 Cb 0.64 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.95 1x66 h LYS 41 CO 0.02 0.00 -0.91 1.49 -2.00 0.00 0.00 179.45 178.05 1x66 h GLU 42 N 0.00 0.00 -0.41 0.07 4.57 -0.41 -3.36 114.58 115.04 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 0.68 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1x66 h GLU 42 CO 0.00 0.90 0.00 0.66 -1.18 0.00 0.00 179.01 179.39 1x66 n TYR 43 N -4.49 0.55 -3.85 0.92 4.01 0.85 -4.93 117.16 110.22 1x66 n TYR 43 Ca -0.25 -0.27 -0.25 0.00 -0.16 0.00 0.00 57.90 56.97 1x66 n TYR 43 Cb 0.59 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.63 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 0.75 -1.64 -4.82 7.72 7.64 0.51 -4.94 113.62 118.85 1x66 n SER 44 Ca 0.15 -0.88 -0.33 0.00 1.01 0.00 0.00 58.87 58.82 1x66 n SER 44 Cb 0.37 -3.64 -0.05 0.00 -1.01 0.00 0.00 64.21 59.88 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 -6.90 3.83 0.17 -3.43 1.43 0.88 -5.01 118.68 109.65 1x66 s LEU 45 Ca 0.16 1.73 -0.05 0.00 -1.03 0.00 0.00 54.13 54.94 1x66 s LEU 45 Cb -0.08 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.58 1x66 s LEU 45 CO 0.85 -0.56 0.21 -0.04 0.23 0.00 0.00 176.35 177.04 1x66 s MET 46 N -3.42 1.15 -1.46 1.70 -1.94 -1.26 -4.81 119.30 109.27 1x66 s MET 46 Ca 0.63 -1.36 -0.01 0.00 -1.71 0.00 0.00 55.69 53.24 1x66 s MET 46 Cb -0.11 0.33 0.00 0.00 2.01 0.00 0.00 34.83 37.06 1x66 s MET 46 CO 0.20 -0.40 0.08 0.39 -0.01 0.00 0.00 175.02 175.28 1x66 n GLU 47 N -0.22 -1.81 -3.97 2.03 1.02 -1.26 -4.64 120.64 111.79 1x66 n GLU 47 Ca -0.04 0.83 -0.30 0.00 -0.02 0.00 0.00 57.16 57.64 1x66 n GLU 47 Cb 0.64 -5.31 -0.04 0.00 -0.02 0.00 0.00 31.44 26.70 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 -2.90 5.12 -0.69 -3.67 2.07 -1.26 -3.71 121.20 116.16 1x66 s ILE 48 Ca 0.04 -0.58 -0.06 0.00 -1.41 0.00 0.00 60.65 58.64 1x66 s ILE 48 Cb -0.02 -3.52 0.18 0.00 0.13 0.00 0.00 42.46 39.23 1x66 s ILE 48 CO 0.05 0.08 0.54 -0.62 -1.91 0.00 0.00 174.94 173.07 1x66 s ASP 49 N -2.66 5.66 0.44 4.50 -1.08 0.87 -4.90 116.67 119.50 1x66 s ASP 49 Ca 0.33 -2.83 0.20 0.00 -0.52 0.00 0.00 52.55 49.73 1x66 s ASP 49 Cb -0.12 -1.95 1.04 0.00 -1.46 0.00 0.00 42.92 40.42 1x66 s ASP 49 CO 0.26 -0.42 1.92 0.71 0.52 0.00 0.00 175.17 178.17 1x66 h THR 50 N 5.11 0.88 0.00 1.71 1.35 -1.98 -2.39 112.91 117.59 1x66 h THR 50 Ca 0.02 -0.95 -0.02 0.00 -0.55 0.00 0.00 66.41 64.91 1x66 h THR 50 Cb 0.97 1.56 -0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1x66 h THR 50 CO 0.72 0.24 -0.10 -1.28 -0.25 0.00 0.00 175.52 174.86 1x66 h SER 51 N 0.00 0.00 0.48 5.36 0.87 -1.97 -1.51 113.55 116.78 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 0.54 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1x66 h SER 51 CO 0.03 0.10 -0.15 0.15 -0.53 0.00 0.00 176.83 176.43 1x66 h PHE 52 N 0.00 0.00 -0.18 2.24 3.04 -1.82 -2.40 116.94 117.81 1x66 h PHE 52 Ca -0.00 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1x66 h PHE 52 Cb 0.27 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.77 1x66 h PHE 52 CO 0.00 0.15 -0.01 1.19 -2.02 0.00 0.00 178.31 177.63 1x66 n PHE 53 N -3.61 0.66 0.20 0.41 3.01 -0.60 -4.64 117.46 112.89 1x66 n PHE 53 Ca -0.01 -0.95 0.06 0.00 1.01 0.00 0.00 57.45 57.56 1x66 n PHE 53 Cb 0.29 -0.27 0.55 0.00 -0.01 0.00 0.00 39.48 40.03 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 1.23 0.09 -0.73 -1.08 3.07 -1.11 -3.13 115.11 113.44 1x66 h GLN 54 Ca 0.01 -0.01 -0.35 0.00 0.09 0.00 0.00 58.65 58.39 1x66 h GLN 54 Cb 1.32 -0.02 -0.41 0.00 0.08 0.00 0.00 27.48 28.46 1x66 h GLN 54 CO 0.16 0.14 -1.07 0.27 0.09 0.00 0.00 178.83 178.42 1x66 n ASN 55 N -4.44 2.24 -4.21 0.06 6.94 -1.26 -4.85 115.26 109.74 1x66 n ASN 55 Ca -0.02 -2.60 -0.39 0.00 -0.02 0.00 0.00 54.58 51.56 1x66 n ASN 55 Cb 0.15 -0.47 -0.11 0.00 -2.36 0.00 0.00 39.78 36.99 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 -3.56 2.39 0.67 -3.83 1.75 -1.18 -5.03 119.30 110.51 1x66 s MET 56 Ca 0.32 -1.60 -0.17 0.00 -1.25 0.00 0.00 55.69 52.99 1x66 s MET 56 Cb 0.38 -3.69 -0.00 0.00 2.84 0.00 0.00 34.83 34.36 1x66 s MET 56 CO -0.02 -1.00 1.25 -0.40 -0.65 0.00 0.00 175.02 174.21 1x66 n ASP 57 N 4.79 1.83 -0.41 1.11 5.68 -1.26 -4.64 116.55 123.65 1x66 n ASP 57 Ca -0.08 0.79 0.33 0.00 -0.50 0.00 0.00 54.79 55.34 1x66 n ASP 57 Cb 0.42 -1.54 0.63 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 0.34 1.02 0.88 6.12 0.00 -0.63 0.38 103.07 111.18 1x66 h GLY 58 Ca -0.50 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 1x66 h GLY 58 CO 0.52 -0.24 0.05 0.50 0.00 0.00 0.00 176.54 177.37 1x66 h LYS 59 N 0.17 0.46 0.00 4.80 1.79 -1.77 -0.78 116.57 121.24 1x66 h LYS 59 Ca 0.73 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 59.08 1x66 h LYS 59 Cb 2.28 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.87 1x66 h LYS 59 CO -0.30 0.56 0.00 0.39 -1.08 0.00 0.00 179.45 179.02 1x66 n GLU 60 N -4.66 0.06 0.01 3.15 1.02 0.12 -2.57 120.64 117.77 1x66 n GLU 60 Ca -0.03 0.18 -0.17 0.00 -0.02 0.00 0.00 57.16 57.12 1x66 n GLU 60 Cb 0.20 -1.59 -0.14 0.00 -0.02 0.00 0.00 31.44 29.89 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 0.31 -0.17 -4.62 5.85 -0.58 -3.20 115.31 112.89 1x66 h LEU 61 Ca 0.00 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1x66 h LEU 61 Cb 0.41 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1x66 h LEU 61 CO 0.00 1.57 0.00 0.00 -0.34 0.00 0.00 178.44 179.67 1x66 h LYS 63 N 0.00 0.00 -6.65 0.00 2.10 -1.63 -3.47 116.57 106.93 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 0.79 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 32.22 1x66 h LYS 63 CO 0.00 0.52 0.42 -1.33 -2.00 0.00 0.00 179.45 177.05 1x66 n MET 64 N -3.07 1.89 -3.54 0.07 2.81 -1.20 -5.00 117.12 109.08 1x66 n MET 64 Ca -0.10 0.67 -0.22 0.00 -1.81 0.00 0.00 57.70 56.24 1x66 n MET 64 Cb 0.93 -2.20 -0.01 0.00 -0.71 0.00 0.00 33.22 31.23 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 -0.29 4.98 0.50 7.83 0.01 -1.26 -4.92 114.94 121.79 1x66 s ASN 65 Ca 0.58 -0.88 0.26 0.00 -0.71 0.00 0.00 52.86 52.11 1x66 s ASN 65 Cb -0.62 -0.19 1.34 0.00 0.41 0.00 0.00 41.25 42.19 1x66 s ASN 65 CO 0.60 -0.88 1.90 0.50 -1.51 0.00 0.00 177.10 177.71 1x66 h LYS 66 N 0.81 0.13 0.12 -0.60 3.64 -1.95 0.13 116.57 118.84 1x66 h LYS 66 Ca -0.38 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.98 1x66 h LYS 66 Cb 1.28 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1x66 h LYS 66 CO 0.54 0.09 -0.06 0.93 -2.27 0.00 0.00 179.45 178.68 1x66 h GLU 67 N 0.13 -0.15 0.00 1.90 5.08 -1.99 -1.36 114.58 118.20 1x66 h GLU 67 Ca 0.41 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 1x66 h GLU 67 Cb 1.42 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.70 1x66 h GLU 67 CO -0.06 0.33 -0.06 -0.44 -1.00 0.00 0.00 179.01 177.78 1x66 h ASP 68 N -0.77 0.00 0.77 1.42 3.32 -1.66 -1.81 116.42 117.69 1x66 h ASP 68 Ca -0.02 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.78 1x66 h ASP 68 Cb 0.55 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1x66 h ASP 68 CO 0.03 0.06 -1.20 -0.26 -1.72 0.00 0.00 179.24 176.15 1x66 h PHE 69 N 0.00 0.23 0.00 4.55 0.04 -0.78 -3.23 116.94 117.74 1x66 h PHE 69 Ca -0.00 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.60 1x66 h PHE 69 Cb 0.16 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1x66 h PHE 69 CO 0.00 1.14 0.00 -0.07 -0.60 0.00 0.00 178.31 178.78 1x66 h LEU 70 N 0.03 0.00 -0.31 1.54 3.38 -0.36 0.24 115.31 119.83 1x66 h LEU 70 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1x66 h LEU 70 Cb 1.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.64 1x66 h LEU 70 CO 0.16 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.23 1x66 n ARG 71 N -2.80 1.21 0.00 1.13 1.74 -1.08 -4.06 116.66 112.80 1x66 n ARG 71 Ca 0.01 -0.31 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 1x66 n ARG 71 Cb 0.26 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 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 -0.56 1.97 -2.44 7.54 0.00 -0.76 -5.03 120.51 121.23 1x66 n ALA 72 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.40 1x66 n ALA 72 Cb 0.17 0.17 -0.11 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.34 1.99 1.03 0.00 -1.32 0.76 -0.09 115.64 116.68 1x66 s THR 73 Ca 0.00 -2.03 -0.12 0.00 -1.21 0.00 0.00 61.69 58.33 1x66 s THR 73 Cb 0.00 -1.98 0.21 0.00 -1.51 0.00 0.00 72.50 69.22 1x66 s THR 73 CO 0.00 -0.32 1.08 0.28 -2.21 0.00 0.00 174.62 173.45 1x66 s THR 74 N -2.14 2.17 0.10 5.08 -1.32 -1.24 -4.02 115.64 114.27 1x66 s THR 74 Ca 0.19 0.06 -0.26 0.00 -1.21 0.00 0.00 61.69 60.47 1x66 s THR 74 Cb -0.05 -2.20 -0.12 0.00 -1.51 0.00 0.00 72.50 68.61 1x66 s THR 74 CO 0.08 -0.07 1.68 0.25 -2.21 0.00 0.00 174.62 174.35 1x66 h LEU 75 N -2.17 -0.42 -0.50 9.08 5.85 -1.94 0.69 115.31 125.90 1x66 h LEU 75 Ca -0.54 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.32 1x66 h LEU 75 Cb 1.30 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 42.38 1x66 h LEU 75 CO 0.49 -0.24 -0.17 0.22 -0.34 0.00 0.00 178.44 178.39 1x66 h TYR 76 N -0.35 -0.41 -0.52 1.25 5.03 -1.99 0.45 116.97 120.43 1x66 h TYR 76 Ca 0.00 0.05 -0.06 0.00 2.58 0.00 0.00 58.73 61.30 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 -0.13 -0.26 0.09 -0.91 -1.32 0.00 0.00 178.16 175.62 1x66 h ASN 77 N -0.06 0.76 -0.73 -2.11 2.35 -1.86 -2.79 115.58 111.14 1x66 h ASN 77 Ca 0.24 -0.15 0.06 0.00 -0.55 0.00 0.00 56.30 55.89 1x66 h ASN 77 Cb 0.42 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 38.54 1x66 h ASN 77 CO -0.54 0.78 0.43 0.74 -1.65 0.00 0.00 177.43 177.19 1x66 h THR 78 N 0.77 1.01 -0.64 2.81 2.02 0.13 -0.67 112.91 118.33 1x66 h THR 78 Ca 0.16 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 1x66 h THR 78 Cb 0.34 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1x66 h THR 78 CO 0.01 0.15 0.23 -0.33 0.37 0.00 0.00 175.52 175.94 1x66 h GLU 79 N 0.80 0.96 0.31 6.66 5.08 -1.00 -0.59 114.58 126.80 1x66 h GLU 79 Ca 0.32 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1x66 h GLU 79 Cb 0.16 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1x66 h GLU 79 CO -0.17 0.80 -0.15 0.28 -1.00 0.00 0.00 179.01 178.77 1x66 h VAL 80 N 0.94 0.68 0.31 3.13 2.07 -1.18 -0.59 116.25 121.61 1x66 h VAL 80 Ca 0.22 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1x66 h VAL 80 Cb 0.22 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1x66 h VAL 80 CO -0.01 0.11 -0.26 -0.07 0.02 0.00 0.00 177.57 177.35 1x66 h LEU 81 N -0.76 -0.69 -0.57 2.57 3.38 -1.10 0.23 115.31 118.37 1x66 h LEU 81 Ca -0.04 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1x66 h LEU 81 Cb 0.50 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 1x66 h LEU 81 CO 0.07 -0.39 0.23 -0.07 0.09 0.00 0.00 178.44 178.37 1x66 h LEU 82 N -0.59 0.26 -0.34 1.67 -0.00 -1.18 0.22 115.31 115.34 1x66 h LEU 82 Ca -0.02 0.06 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1x66 h LEU 82 Cb 0.52 0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.20 1x66 h LEU 82 CO -0.03 0.16 0.15 -1.28 -0.00 0.00 0.00 178.44 177.45 1x66 h SER 83 N 0.43 0.46 0.62 -0.43 0.87 -0.79 0.15 113.55 114.85 1x66 h SER 83 Ca 0.28 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 1x66 h SER 83 Cb 0.30 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1x66 h SER 83 CO -0.26 0.47 -0.30 -0.74 -0.53 0.00 0.00 176.83 175.48 1x66 h HIS 84 N 0.41 -0.77 -0.36 2.24 -0.00 0.12 -2.88 115.15 113.91 1x66 h HIS 84 Ca 0.12 -0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.50 1x66 h HIS 84 Cb 0.15 0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.79 1x66 h HIS 84 CO -0.01 -0.44 0.24 1.25 -0.00 0.00 0.00 177.93 178.97 1x66 h LEU 85 N -0.94 0.30 -1.91 0.26 5.85 -0.58 -1.42 115.31 116.87 1x66 h LEU 85 Ca -0.08 -0.00 0.25 0.00 0.84 0.00 0.00 57.88 58.88 1x66 h LEU 85 Cb 0.67 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1x66 h LEU 85 CO 0.14 0.21 0.63 0.28 -0.34 0.00 0.00 178.44 179.36 1x66 h SER 86 N 0.35 0.07 0.00 1.25 0.02 -0.46 0.22 113.55 115.00 1x66 h SER 86 Ca 0.15 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 1x66 h SER 86 Cb 0.16 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1x66 h SER 86 CO -0.03 0.03 -0.87 0.22 -1.14 0.00 0.00 176.83 175.03 1x66 h TYR 87 N 0.07 0.00 -0.92 3.45 3.20 -1.28 -3.32 116.97 118.16 1x66 h TYR 87 Ca 0.43 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.46 1x66 h TYR 87 Cb 1.62 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 39.79 1x66 h TYR 87 CO -0.00 1.12 0.53 -0.07 -1.64 0.00 0.00 178.16 178.09 1x66 h LEU 88 N -1.00 0.68 -1.50 2.82 4.07 -1.20 0.12 115.31 119.29 1x66 h LEU 88 Ca -0.22 0.09 0.02 0.00 0.08 0.00 0.00 57.88 57.84 1x66 h LEU 88 Cb 1.07 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.75 1x66 h LEU 88 CO -0.13 0.29 0.35 0.03 -1.08 0.00 0.00 178.44 177.90 1x66 h ARG 89 N 0.73 0.66 -1.09 1.13 3.08 -0.76 -1.87 114.38 116.27 1x66 h ARG 89 Ca 0.50 -0.04 -0.60 0.00 0.07 0.00 0.00 59.98 59.92 1x66 h ARG 89 Cb 0.70 -0.15 -0.26 0.00 0.08 0.00 0.00 29.97 30.34 1x66 h ARG 89 CO -0.35 0.43 0.77 0.39 -1.07 0.00 0.00 179.97 180.14 1x66 n GLU 90 N -4.46 2.48 -4.21 0.04 -0.58 0.39 -4.84 120.64 109.45 1x66 n GLU 90 Ca 0.05 -2.94 -0.17 0.00 -0.42 0.00 0.00 57.16 53.68 1x66 n GLU 90 Cb 0.09 -2.15 -0.12 0.00 -0.57 0.00 0.00 31.44 28.68 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 -1.41 1.36 -1.40 1.62 0.15 -0.70 -4.77 113.70 108.56 1x66 s SER 91 Ca 0.58 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1x66 s SER 91 Cb 0.46 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1x66 s SER 91 CO 0.00 -0.06 0.00 -1.20 1.20 0.00 0.00 173.24 173.18 1x66 n SER 92 N 1.69 -4.48 0.11 5.45 7.64 -1.26 -4.30 113.62 118.47 1x66 n SER 92 Ca -0.20 0.19 -0.01 0.00 1.01 0.00 0.00 58.87 59.86 1x66 n SER 92 Cb 0.55 -3.85 0.24 0.00 -1.01 0.00 0.00 64.21 60.14 1x66 n SER 92 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1x66 h SER 93 N 0.00 0.20 -0.84 6.43 0.87 -1.88 -3.47 113.55 114.85 1x66 h SER 93 Ca -0.35 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1x66 h SER 93 Cb 1.20 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1x66 h SER 93 CO 0.44 0.59 0.00 0.61 -0.53 0.00 0.00 176.83 177.94 1x66 n GLY 94 N -0.21 0.47 3.66 5.77 0.00 -1.26 -5.10 105.19 108.51 1x66 n GLY 94 Ca -0.02 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.02 0.17 0.34 1.61 0.04 -1.26 -4.95 135.00 128.94 1x66 s PRO 95 Ca 0.00 0.43 -0.27 0.00 0.04 0.00 0.00 61.00 61.21 1x66 s PRO 95 Cb 0.00 -1.71 -0.13 0.00 0.04 0.00 0.00 34.50 32.70 1x66 s PRO 95 CO 0.00 -2.89 1.08 0.45 0.04 0.00 0.00 177.00 175.68 1x66 n SER 96 N -4.27 1.66 0.00 6.66 2.88 -1.26 -4.75 113.62 114.54 1x66 n SER 96 Ca 0.06 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1x66 n SER 96 Cb 0.58 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 1x66 n SER 96 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x66 n SER 97 N 0.91 -0.02 0.00 -3.46 2.88 -1.26 -5.29 113.62 107.38 1x66 n SER 97 Ca 0.08 0.01 0.07 0.00 -1.33 0.00 0.00 58.87 57.70 1x66 n SER 97 Cb 0.35 0.26 0.43 0.00 -0.75 0.00 0.00 64.21 64.50 1x66 n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42