#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x47 s SER 2 N 0.00 -0.50 -0.06 1.61 1.04 -1.26 -5.08 113.70 109.45 1x47 s SER 2 Ca 0.00 0.73 -0.09 0.00 0.48 0.00 0.00 55.95 57.07 1x47 s SER 2 Cb 0.00 1.46 -0.04 0.00 0.10 0.00 0.00 66.02 67.55 1x47 s SER 2 CO 0.00 -0.11 -0.18 -1.20 0.98 0.00 0.00 173.24 172.73 1x47 n SER 3 N 4.49 1.49 -3.96 7.02 7.64 -1.26 -5.04 113.62 124.01 1x47 n SER 3 Ca -0.12 0.23 -0.37 0.00 1.01 0.00 0.00 58.87 59.62 1x47 n SER 3 Cb 0.54 -0.54 0.01 0.00 -1.01 0.00 0.00 64.21 63.22 1x47 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x47 n GLY 4 N 2.39 -1.06 2.78 0.23 0.00 -1.26 -3.55 105.19 104.72 1x47 n GLY 4 Ca -0.10 0.46 -0.01 0.00 0.00 0.00 0.00 46.02 46.37 1x47 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x47 n SER 5 N -2.37 -5.95 -4.85 1.61 7.64 -1.26 -4.96 113.62 103.49 1x47 n SER 5 Ca -0.22 1.24 -0.32 0.00 1.01 0.00 0.00 58.87 60.59 1x47 n SER 5 Cb 0.63 -4.56 -0.01 0.00 -1.01 0.00 0.00 64.21 59.25 1x47 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x47 s SER 6 N -1.21 6.37 0.00 6.43 0.15 -1.23 -4.84 113.70 119.37 1x47 s SER 6 Ca -0.07 1.54 0.00 0.00 0.70 0.00 0.00 55.95 58.11 1x47 s SER 6 Cb 0.00 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1x47 s SER 6 CO 0.63 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1x47 n GLY 7 N -1.97 -0.01 3.15 9.45 0.00 -1.26 -5.14 105.19 109.41 1x47 n GLY 7 Ca 0.07 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.42 1x47 n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x47 s GLU 8 N -0.08 0.15 -0.43 1.61 2.56 -1.26 -5.07 118.70 116.18 1x47 s GLU 8 Ca 0.00 0.15 0.10 0.00 0.00 0.00 0.00 54.97 55.22 1x47 s GLU 8 Cb 0.00 0.07 0.37 0.00 2.00 0.00 0.00 34.13 36.56 1x47 s GLU 8 CO 0.00 -0.27 0.84 1.19 -0.56 0.00 0.00 175.26 176.46 1x47 n PHE 9 N 5.12 1.61 -3.44 5.30 3.01 -1.26 -5.00 117.46 122.80 1x47 n PHE 9 Ca 0.09 -3.69 -0.34 0.00 1.01 0.00 0.00 57.45 54.52 1x47 n PHE 9 Cb 0.58 -0.41 0.03 0.00 -0.01 0.00 0.00 39.48 39.67 1x47 n PHE 9 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1x47 n VAL 10 N 0.04 -4.26 -2.25 -4.37 0.31 -1.26 -4.83 118.33 101.71 1x47 n VAL 10 Ca 0.26 0.18 -0.40 0.00 -0.01 0.00 0.00 64.34 64.36 1x47 n VAL 10 Cb 0.60 -3.76 -0.03 0.00 -0.91 0.00 0.00 33.84 29.75 1x47 n VAL 10 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1x47 s ILE 11 N -1.50 3.01 -0.32 2.52 -4.36 -1.26 -4.99 121.20 114.30 1x47 s ILE 11 Ca 0.34 0.98 -0.08 0.00 -0.26 0.00 0.00 60.65 61.63 1x47 s ILE 11 Cb -0.04 -3.61 0.19 0.00 1.25 0.00 0.00 42.46 40.25 1x47 s ILE 11 CO 0.80 0.21 1.01 0.21 0.24 0.00 0.00 174.94 177.40 1x47 s ASN 12 N -0.72 -0.48 -0.95 4.36 2.47 -1.26 -5.09 114.94 113.27 1x47 s ASN 12 Ca 0.49 -0.12 -0.24 0.00 0.42 0.00 0.00 52.86 53.41 1x47 s ASN 12 Cb -0.36 0.87 0.00 0.00 -1.45 0.00 0.00 41.25 40.31 1x47 s ASN 12 CO 0.47 -0.07 1.68 -2.16 -3.72 0.00 0.00 177.10 173.31 1x47 s PRO 13 N 2.33 3.08 0.21 0.43 0.04 -1.26 -4.35 135.00 135.49 1x47 s PRO 13 Ca 0.19 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 60.56 1x47 s PRO 13 Cb 0.01 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.38 1x47 s PRO 13 CO -0.17 -2.76 0.00 -1.71 0.04 0.00 0.00 177.00 172.40 1x47 n ASN 14 N 11.33 -0.06 0.00 6.66 2.85 -1.26 -5.17 115.26 129.62 1x47 n ASN 14 Ca 0.35 0.36 0.00 0.00 -0.11 0.00 0.00 54.58 55.18 1x47 n ASN 14 Cb 0.49 0.27 0.00 0.00 1.24 0.00 0.00 39.78 41.78 1x47 n ASN 14 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x47 n GLY 15 N 1.66 3.24 2.96 8.20 0.00 -1.26 -5.16 105.19 114.83 1x47 n GLY 15 Ca 0.00 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 1x47 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x47 s LYS 16 N 1.47 1.63 0.50 1.61 -2.85 -1.26 -5.07 119.74 115.77 1x47 s LYS 16 Ca 0.00 -0.34 0.06 0.00 -1.00 0.00 0.00 55.97 54.70 1x47 s LYS 16 Cb 0.00 -1.53 0.02 0.00 -2.06 0.00 0.00 37.83 34.26 1x47 s LYS 16 CO 0.00 -0.14 0.39 -1.12 0.10 0.00 0.00 175.35 174.58 1x47 s SER 17 N 1.23 4.72 0.17 0.03 0.01 -1.26 -4.87 113.70 113.73 1x47 s SER 17 Ca -0.04 -1.10 -0.23 0.00 1.31 0.00 0.00 55.95 55.89 1x47 s SER 17 Cb -0.14 0.10 0.08 0.00 0.21 0.00 0.00 66.02 66.27 1x47 s SER 17 CO -0.03 -0.96 1.59 -0.08 0.41 0.00 0.00 173.24 174.17 1x47 h GLU 18 N 0.86 -0.21 -1.01 12.44 4.57 -1.98 0.66 114.58 129.91 1x47 h GLU 18 Ca -0.38 0.01 0.31 0.00 -1.18 0.00 0.00 59.36 58.12 1x47 h GLU 18 Cb 1.29 0.05 -0.14 0.00 -0.16 0.00 0.00 28.75 29.79 1x47 h GLU 18 CO 0.58 -0.14 0.59 -0.39 -1.18 0.00 0.00 179.01 178.47 1x47 h VAL 19 N -0.22 0.36 0.36 0.32 -1.51 -1.85 0.82 116.25 114.52 1x47 h VAL 19 Ca 0.19 -0.13 -0.02 0.00 -1.23 0.00 0.00 66.70 65.51 1x47 h VAL 19 Cb 0.55 -0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.66 1x47 h VAL 19 CO -0.61 0.07 -0.17 0.00 -1.23 0.00 0.00 177.57 175.63 1x47 h ILE 21 N -1.07 0.00 -0.79 0.00 2.04 0.18 0.59 117.51 118.45 1x47 h ILE 21 Ca -0.05 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.97 1x47 h ILE 21 Cb 0.37 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.30 1x47 h ILE 21 CO 0.08 0.00 -0.21 0.25 0.00 0.00 0.00 178.15 178.27 1x47 h LEU 22 N -0.15 -0.76 -0.08 1.44 7.12 0.46 0.40 115.31 123.73 1x47 h LEU 22 Ca 0.12 0.24 0.03 0.00 0.13 0.00 0.00 57.88 58.39 1x47 h LEU 22 Cb 0.45 0.50 -0.03 0.00 -0.53 0.00 0.00 40.66 41.06 1x47 h LEU 22 CO -0.75 -0.26 -0.08 -0.74 -0.13 0.00 0.00 178.44 176.48 1x47 h HIS 23 N -0.01 -0.19 0.00 1.25 2.76 0.29 0.11 115.15 119.36 1x47 h HIS 23 Ca 0.38 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.56 1x47 h HIS 23 Cb 0.58 0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.64 1x47 h HIS 23 CO -0.63 -0.12 0.00 0.39 -1.30 0.00 0.00 177.93 176.26 1x47 n GLU 24 N -5.21 0.00 -0.33 5.26 -0.58 0.15 0.18 120.64 120.11 1x47 n GLU 24 Ca -0.04 0.81 0.20 0.00 -0.42 0.00 0.00 57.16 57.70 1x47 n GLU 24 Cb 0.14 -1.49 0.44 0.00 -0.57 0.00 0.00 31.44 29.96 1x47 n GLU 24 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1x47 h TYR 25 N 0.00 0.83 0.54 -0.32 5.03 -1.09 1.47 116.97 123.43 1x47 h TYR 25 Ca 0.00 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 1x47 h TYR 25 Cb 0.00 -0.24 0.01 0.00 1.55 0.00 0.00 36.73 38.04 1x47 h TYR 25 CO -0.51 0.09 -0.26 0.52 -1.32 0.00 0.00 178.16 176.68 1x47 h MET 26 N 0.51 -0.70 0.00 1.82 2.86 0.79 1.46 114.93 121.68 1x47 h MET 26 Ca 0.60 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.29 1x47 h MET 26 Cb 1.32 0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.13 1x47 h MET 26 CO -0.36 -0.39 0.00 0.94 1.06 0.00 0.00 176.91 178.16 1x47 n GLN 27 N -5.32 0.22 -0.09 1.72 7.27 0.47 0.18 117.38 121.83 1x47 n GLN 27 Ca -0.11 0.11 -0.19 0.00 0.07 0.00 0.00 57.00 56.87 1x47 n GLN 27 Cb 0.33 -1.50 -0.13 0.00 2.41 0.00 0.00 30.24 31.35 1x47 n GLN 27 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1x47 n ARG 28 N -1.34 0.68 -0.05 3.69 0.63 0.49 -3.76 116.66 117.00 1x47 n ARG 28 Ca 0.09 0.18 -0.05 0.00 -0.92 0.00 0.00 57.85 57.15 1x47 n ARG 28 Cb 0.18 -1.57 -0.02 0.00 0.45 0.00 0.00 32.46 31.51 1x47 n ARG 28 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1x47 n VAL 29 N -3.32 0.86 -0.16 5.15 0.31 0.50 -4.55 118.33 117.12 1x47 n VAL 29 Ca -0.42 0.30 -0.03 0.00 -0.01 0.00 0.00 64.34 64.18 1x47 n VAL 29 Cb 1.01 -2.00 0.17 0.00 -0.91 0.00 0.00 33.84 32.11 1x47 n VAL 29 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1x47 h LEU 30 N -0.58 0.83 -1.77 7.52 3.38 0.10 -3.47 115.31 121.31 1x47 h LEU 30 Ca 0.00 -0.14 -0.20 0.00 0.09 0.00 0.00 57.88 57.63 1x47 h LEU 30 Cb 0.52 -0.22 0.10 0.00 0.09 0.00 0.00 40.66 41.16 1x47 h LEU 30 CO 0.00 0.79 -0.46 0.29 0.09 0.00 0.00 178.44 179.15 1x47 n LYS 31 N -4.28 -3.99 -3.70 1.13 5.02 0.47 -4.94 118.16 107.87 1x47 n LYS 31 Ca 0.04 0.51 -0.14 0.00 -2.02 0.00 0.00 58.31 56.70 1x47 n LYS 31 Cb 0.22 -4.52 -0.08 0.00 -0.02 0.00 0.00 35.03 30.62 1x47 n LYS 31 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1x47 s VAL 32 N -3.22 0.03 -0.36 -0.18 -7.23 -1.23 -4.94 120.40 103.27 1x47 s VAL 32 Ca 0.01 -0.25 -0.25 0.00 -1.81 0.00 0.00 61.98 59.68 1x47 s VAL 32 Cb -0.00 -0.69 0.01 0.00 0.56 0.00 0.00 36.38 36.26 1x47 s VAL 32 CO 0.44 -0.14 0.89 -0.13 -0.31 0.00 0.00 175.10 175.86 1x47 s ARG 33 N -0.84 3.83 0.29 4.82 0.52 -1.26 -3.81 118.95 122.50 1x47 s ARG 33 Ca -0.09 0.54 -0.29 0.00 -0.52 0.00 0.00 55.73 55.37 1x47 s ARG 33 Cb -0.04 -3.80 -0.09 0.00 0.52 0.00 0.00 34.95 31.54 1x47 s ARG 33 CO 0.04 -0.91 1.08 -1.25 0.02 0.00 0.00 175.30 174.27 1x47 s PRO 34 N 3.38 4.60 -0.23 3.54 0.04 -1.26 -4.58 135.00 140.49 1x47 s PRO 34 Ca 0.37 1.73 -0.10 0.00 0.04 0.00 0.00 61.00 63.04 1x47 s PRO 34 Cb -0.12 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.25 1x47 s PRO 34 CO 0.18 0.20 0.14 0.08 0.04 0.00 0.00 177.00 177.64 1x47 s VAL 35 N -1.23 5.23 -0.45 -0.36 1.01 0.27 -4.97 120.40 119.90 1x47 s VAL 35 Ca 0.46 0.13 -0.21 0.00 0.00 0.00 0.00 61.98 62.36 1x47 s VAL 35 Cb -0.30 -3.42 0.03 0.00 0.00 0.00 0.00 36.38 32.68 1x47 s VAL 35 CO 0.38 0.37 0.66 -0.31 0.00 0.00 0.00 175.10 176.20 1x47 s TYR 36 N 0.93 3.05 0.08 5.22 1.51 -1.26 -0.28 117.35 126.60 1x47 s TYR 36 Ca 0.07 -0.13 -0.15 0.00 -1.01 0.00 0.00 57.07 55.85 1x47 s TYR 36 Cb -0.13 -3.42 -0.06 0.00 -0.11 0.00 0.00 41.96 38.24 1x47 s TYR 36 CO 0.03 -0.92 0.49 -0.80 -1.11 0.00 0.00 175.55 173.24 1x47 s ASN 37 N 2.15 6.84 -0.01 2.29 0.01 0.61 -4.90 114.94 121.93 1x47 s ASN 37 Ca 0.22 1.04 0.07 0.00 -0.71 0.00 0.00 52.86 53.49 1x47 s ASN 37 Cb -0.15 -2.28 -0.02 0.00 0.41 0.00 0.00 41.25 39.22 1x47 s ASN 37 CO 0.18 0.21 -0.24 -0.36 -1.51 0.00 0.00 177.10 175.38 1x47 s PHE 38 N -1.28 2.12 0.34 2.20 0.08 -1.26 0.16 117.98 120.33 1x47 s PHE 38 Ca 0.32 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.95 1x47 s PHE 38 Cb -0.16 -1.36 0.01 0.00 -0.57 0.00 0.00 43.02 40.94 1x47 s PHE 38 CO 0.17 -0.02 0.46 1.97 -0.10 0.00 0.00 175.22 177.71 1x47 n PHE 39 N 2.42 -1.38 -4.05 0.36 -1.74 -0.78 -4.99 117.46 107.29 1x47 n PHE 39 Ca -0.16 -2.29 -0.22 0.00 -0.56 0.00 0.00 57.45 54.23 1x47 n PHE 39 Cb 0.52 0.52 -0.03 0.00 1.52 0.00 0.00 39.48 42.00 1x47 n PHE 39 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1x47 s GLU 40 N -2.80 3.12 0.17 3.97 2.02 -1.26 -2.63 118.70 121.30 1x47 s GLU 40 Ca 0.29 -0.94 0.06 0.00 0.02 0.00 0.00 54.97 54.39 1x47 s GLU 40 Cb -0.01 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.49 1x47 s GLU 40 CO 0.20 0.41 0.09 0.00 0.02 0.00 0.00 175.26 175.98 1x47 h GLU 42 N 2.50 0.42 -6.92 0.00 4.11 -1.94 -3.46 114.58 109.30 1x47 h GLU 42 Ca -0.47 -0.57 -0.48 0.00 0.07 0.00 0.00 59.36 57.91 1x47 h GLU 42 Cb 1.20 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1x47 h GLU 42 CO 0.61 1.23 0.39 1.21 0.07 0.00 0.00 179.01 182.52 1x47 s ASN 43 N -7.01 7.03 0.00 3.06 2.47 -1.26 -4.93 114.94 114.31 1x47 s ASN 43 Ca -0.12 1.97 0.22 0.00 0.42 0.00 0.00 52.86 55.35 1x47 s ASN 43 Cb 0.03 -2.59 0.97 0.00 -1.45 0.00 0.00 41.25 38.21 1x47 s ASN 43 CO 0.85 -0.29 1.70 -0.81 -3.72 0.00 0.00 177.10 174.84 1x47 n PRO 44 N 0.27 0.05 0.32 0.43 -0.04 -1.26 -3.66 135.00 131.12 1x47 n PRO 44 Ca 0.03 0.12 -0.16 0.00 -0.04 0.00 0.00 63.50 63.45 1x47 n PRO 44 Cb 0.49 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 1x47 n PRO 44 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1x47 h SER 45 N 0.00 -1.08 -3.55 3.54 0.02 -1.97 -3.38 113.55 107.13 1x47 h SER 45 Ca 0.00 0.07 -0.61 0.00 -0.84 0.00 0.00 61.79 60.41 1x47 h SER 45 Cb 0.35 0.33 -0.40 0.00 0.14 0.00 0.00 62.40 62.82 1x47 h SER 45 CO 0.00 -0.61 -0.73 -1.61 -1.14 0.00 0.00 176.83 172.75 1x47 s GLU 46 N -5.40 1.27 0.43 3.45 8.01 -1.24 -4.74 118.70 120.48 1x47 s GLU 46 Ca -0.15 -1.90 0.28 0.00 0.01 0.00 0.00 54.97 53.20 1x47 s GLU 46 Cb 0.03 -2.44 0.88 0.00 -4.31 0.00 0.00 34.13 28.28 1x47 s GLU 46 CO 0.50 -1.11 1.79 -1.00 0.01 0.00 0.00 175.26 175.45 1x47 h PRO 47 N 7.01 0.00 -5.59 0.39 0.13 -1.73 -3.39 132.00 128.82 1x47 h PRO 47 Ca -0.04 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.45 1x47 h PRO 47 Cb 0.95 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.94 1x47 h PRO 47 CO 0.50 0.00 0.32 -0.06 -0.23 0.00 0.00 178.00 178.53 1x47 s PHE 48 N -3.38 2.96 0.07 1.56 0.40 -1.22 -3.01 117.98 115.35 1x47 s PHE 48 Ca 0.05 -0.06 0.08 0.00 -0.60 0.00 0.00 56.93 56.40 1x47 s PHE 48 Cb 0.08 -3.70 -0.03 0.00 0.51 0.00 0.00 43.02 39.88 1x47 s PHE 48 CO 0.58 -1.08 -0.22 0.20 0.70 0.00 0.00 175.22 175.40 1x47 s GLY 49 N 2.42 1.21 -0.02 4.36 0.00 -1.08 -0.52 107.32 113.70 1x47 s GLY 49 Ca 0.26 -1.16 -0.08 0.00 0.00 0.00 0.00 44.72 43.74 1x47 s GLY 49 CO 0.19 -1.11 0.18 0.00 0.00 0.00 0.00 173.10 172.36 1x47 s ALA 50 N -0.92 -0.43 0.15 3.20 0.00 0.32 -1.87 121.76 122.21 1x47 s ALA 50 Ca 0.08 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.18 1x47 s ALA 50 Cb -0.09 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1x47 s ALA 50 CO 0.03 -0.19 -0.12 -1.54 0.00 0.00 0.00 175.76 173.93 1x47 s SER 51 N -1.06 2.06 -0.38 0.00 1.04 0.42 -1.44 113.70 114.33 1x47 s SER 51 Ca -0.11 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.36 1x47 s SER 51 Cb -0.06 -0.06 0.11 0.00 0.10 0.00 0.00 66.02 66.11 1x47 s SER 51 CO 0.02 -0.23 0.14 -0.69 0.98 0.00 0.00 173.24 173.46 1x47 s VAL 52 N -2.87 2.86 -0.22 5.02 1.01 -0.04 -0.29 120.40 125.87 1x47 s VAL 52 Ca 0.16 -2.20 -0.16 0.00 0.00 0.00 0.00 61.98 59.77 1x47 s VAL 52 Cb -0.01 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1x47 s VAL 52 CO 0.03 -0.66 0.42 0.42 0.00 0.00 0.00 175.10 175.31 1x47 s THR 53 N 1.01 5.17 -0.55 3.92 -4.23 0.61 -1.89 115.64 119.69 1x47 s THR 53 Ca 0.10 0.73 -0.18 0.00 -1.18 0.00 0.00 61.69 61.16 1x47 s THR 53 Cb -0.21 -3.75 0.10 0.00 1.34 0.00 0.00 72.50 69.98 1x47 s THR 53 CO -0.06 0.22 0.59 -0.63 -0.54 0.00 0.00 174.62 174.20 1x47 s ILE 54 N 1.53 5.00 -0.58 2.99 1.01 0.49 -0.57 121.20 131.07 1x47 s ILE 54 Ca 0.19 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1x47 s ILE 54 Cb -0.15 -4.37 0.00 0.00 0.01 0.00 0.00 42.46 37.95 1x47 s ILE 54 CO 0.08 -0.93 0.00 -0.67 0.00 0.00 0.00 174.94 173.43 1x47 n ASP 55 N 5.83 -5.07 0.00 3.58 2.03 -1.26 -1.44 116.55 120.23 1x47 n ASP 55 Ca -0.11 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1x47 n ASP 55 Cb 0.42 -3.05 0.00 0.00 -0.72 0.00 0.00 41.12 37.77 1x47 n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x47 n GLY 56 N -0.44 1.12 3.67 0.27 0.00 -1.26 -5.07 105.19 103.48 1x47 n GLY 56 Ca -0.05 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1x47 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x47 s VAL 57 N -0.84 4.07 0.13 1.61 1.01 -0.52 -4.88 120.40 120.98 1x47 s VAL 57 Ca 0.00 1.36 -0.30 0.00 0.00 0.00 0.00 61.98 63.04 1x47 s VAL 57 Cb 0.00 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 1x47 s VAL 57 CO 0.00 -0.06 1.03 -0.89 0.00 0.00 0.00 175.10 175.18 1x47 s THR 58 N 2.98 4.24 0.00 3.92 2.01 -1.26 0.18 115.64 127.71 1x47 s THR 58 Ca 0.59 1.85 0.00 0.00 0.31 0.00 0.00 61.69 64.44 1x47 s THR 58 Cb -0.26 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.07 1x47 s THR 58 CO 0.21 0.28 0.00 -1.22 -0.69 0.00 0.00 174.62 173.20 1x47 n TYR 59 N 2.78 0.00 -3.75 4.92 4.02 -0.79 -4.91 117.16 119.42 1x47 n TYR 59 Ca 0.03 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.57 1x47 n TYR 59 Cb 0.48 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.71 1x47 n TYR 59 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1x47 s GLY 60 N -1.40 1.98 -0.00 2.72 0.00 -1.25 -4.80 107.32 104.57 1x47 s GLY 60 Ca 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 44.72 43.89 1x47 s GLY 60 CO 0.00 0.25 0.05 -1.35 0.00 0.00 0.00 173.10 172.05 1x47 s SER 61 N 0.72 0.06 0.14 1.64 1.04 -1.26 -0.86 113.70 115.18 1x47 s SER 61 Ca 0.07 -0.17 -0.17 0.00 0.48 0.00 0.00 55.95 56.15 1x47 s SER 61 Cb -0.13 0.14 0.06 0.00 0.10 0.00 0.00 66.02 66.20 1x47 s SER 61 CO 0.01 -0.20 0.83 0.61 0.98 0.00 0.00 173.24 175.47 1x47 n GLY 62 N 2.15 0.72 3.33 7.32 0.00 -0.52 -4.80 105.19 113.39 1x47 n GLY 62 Ca -0.19 -1.10 -0.19 0.00 0.00 0.00 0.00 46.02 44.54 1x47 n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x47 s THR 63 N -2.16 0.24 0.14 2.61 -4.23 -1.26 -0.53 115.64 110.46 1x47 s THR 63 Ca 0.19 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.55 1x47 s THR 63 Cb -0.02 -2.49 0.05 0.00 1.34 0.00 0.00 72.50 71.38 1x47 s THR 63 CO 0.04 0.00 0.71 0.00 -0.54 0.00 0.00 174.62 174.83 1x47 n ALA 64 N -0.60 -1.84 -0.10 3.99 0.00 0.32 -4.55 120.51 117.74 1x47 n ALA 64 Ca 0.02 -0.73 -0.10 0.00 0.00 0.00 0.00 53.44 52.63 1x47 n ALA 64 Cb 0.64 0.42 0.04 0.00 0.00 0.00 0.00 19.45 20.55 1x47 n ALA 64 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x47 h SER 65 N 1.38 0.87 -1.07 0.00 0.02 -1.85 -3.24 113.55 109.66 1x47 h SER 65 Ca -0.19 -0.37 -0.58 0.00 -0.84 0.00 0.00 61.79 59.81 1x47 h SER 65 Cb 0.84 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 63.07 1x47 h SER 65 CO 0.26 1.12 -0.42 -0.55 -1.14 0.00 0.00 176.83 176.09 1x47 s SER 66 N -6.80 4.51 -0.03 3.07 0.15 -1.26 -4.70 113.70 108.64 1x47 s SER 66 Ca -0.10 -1.19 -0.25 0.00 0.70 0.00 0.00 55.95 55.12 1x47 s SER 66 Cb 0.12 -0.05 -0.20 0.00 -1.71 0.00 0.00 66.02 64.18 1x47 s SER 66 CO 0.86 -0.79 1.20 0.50 1.20 0.00 0.00 173.24 176.21 1x47 h LYS 67 N 1.15 0.10 -0.05 5.44 3.64 -1.90 -2.90 116.57 122.06 1x47 h LYS 67 Ca -0.41 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 58.92 1x47 h LYS 67 Cb 1.28 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 1x47 h LYS 67 CO 0.65 0.66 -0.27 0.87 -2.27 0.00 0.00 179.45 179.09 1x47 h LYS 68 N -0.45 -0.29 -1.00 1.90 1.57 -1.98 0.37 116.57 116.70 1x47 h LYS 68 Ca 0.00 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 58.97 1x47 h LYS 68 Cb 0.66 0.07 -0.17 0.00 0.08 0.00 0.00 32.23 32.86 1x47 h LYS 68 CO 0.01 -0.19 -0.35 -0.07 -0.57 0.00 0.00 179.45 178.28 1x47 h LEU 69 N -0.30 -1.28 0.01 2.94 -0.00 -1.97 1.63 115.31 116.33 1x47 h LEU 69 Ca 0.01 0.31 0.03 0.00 -0.00 0.00 0.00 57.88 58.23 1x47 h LEU 69 Cb 0.34 0.72 -0.05 0.00 -0.00 0.00 0.00 40.66 41.67 1x47 h LEU 69 CO -0.20 -0.30 -0.31 0.00 -0.00 0.00 0.00 178.44 177.62 1x47 h ALA 70 N 1.56 -0.46 -0.61 1.53 0.00 -1.01 0.58 119.26 120.85 1x47 h ALA 70 Ca 0.39 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.34 1x47 h ALA 70 Cb 0.64 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1x47 h ALA 70 CO -1.00 -0.83 0.32 -0.22 0.00 0.00 0.00 179.25 177.52 1x47 h LYS 71 N -0.47 0.58 -0.55 0.00 3.64 0.43 0.58 116.57 120.77 1x47 h LYS 71 Ca 0.06 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1x47 h LYS 71 Cb 0.55 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 1x47 h LYS 71 CO -0.26 0.38 0.27 -0.97 -2.27 0.00 0.00 179.45 176.60 1x47 h ASN 72 N 0.59 0.37 -0.17 4.20 -1.24 0.32 0.88 115.58 120.54 1x47 h ASN 72 Ca 0.28 0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.31 1x47 h ASN 72 Cb 0.20 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 1x47 h ASN 72 CO -0.19 0.25 0.02 0.11 -1.29 0.00 0.00 177.43 176.33 1x47 h LYS 73 N 0.51 0.28 -0.58 6.67 1.57 0.14 1.02 116.57 126.18 1x47 h LYS 73 Ca 0.25 -0.08 0.12 0.00 -1.87 0.00 0.00 60.65 59.07 1x47 h LYS 73 Cb 0.19 -0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.37 1x47 h LYS 73 CO -0.19 0.45 -0.03 0.00 -0.57 0.00 0.00 179.45 179.12 1x47 h ALA 74 N 0.81 0.53 0.10 3.86 0.00 0.85 1.04 119.26 126.45 1x47 h ALA 74 Ca 0.05 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1x47 h ALA 74 Cb 0.31 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1x47 h ALA 74 CO 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 179.25 178.80 1x47 h ALA 75 N 1.53 -0.14 -1.07 0.00 0.00 -0.65 -2.20 119.26 116.74 1x47 h ALA 75 Ca 0.30 -0.25 0.29 0.00 0.00 0.00 0.00 54.91 55.24 1x47 h ALA 75 Cb 0.47 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 1x47 h ALA 75 CO -0.51 -0.28 0.69 -0.09 0.00 0.00 0.00 179.25 179.06 1x47 h ARG 76 N -0.72 0.33 0.18 0.00 2.43 0.18 0.16 114.38 116.94 1x47 h ARG 76 Ca -0.01 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1x47 h ARG 76 Cb 0.55 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1x47 h ARG 76 CO 0.02 0.22 -0.09 0.00 -1.51 0.00 0.00 179.97 178.62 1x47 h ALA 77 N 1.61 -0.24 -1.00 2.80 0.00 0.12 -2.54 119.26 120.01 1x47 h ALA 77 Ca 0.61 -0.21 0.22 0.00 0.00 0.00 0.00 54.91 55.53 1x47 h ALA 77 Cb 1.64 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 19.43 1x47 h ALA 77 CO -0.29 -0.40 0.62 1.15 0.00 0.00 0.00 179.25 180.33 1x47 h THR 78 N -0.71 0.64 0.67 0.00 2.02 -0.16 -1.61 112.91 113.76 1x47 h THR 78 Ca -0.02 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1x47 h THR 78 Cb 0.50 -0.01 0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1x47 h THR 78 CO 0.04 0.11 -0.32 -0.07 0.37 0.00 0.00 175.52 175.65 1x47 h LEU 79 N 0.60 -0.77 -1.00 2.58 3.38 -0.77 -2.55 115.31 116.78 1x47 h LEU 79 Ca 0.57 0.03 0.26 0.00 0.09 0.00 0.00 57.88 58.83 1x47 h LEU 79 Cb 1.11 0.20 -0.19 0.00 0.09 0.00 0.00 40.66 41.88 1x47 h LEU 79 CO -0.34 -0.54 -0.03 -0.33 0.09 0.00 0.00 178.44 177.29 1x47 h GLU 80 N -0.92 0.00 -0.31 1.13 5.08 -0.88 1.49 114.58 120.16 1x47 h GLU 80 Ca -0.09 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1x47 h GLU 80 Cb 0.69 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.87 1x47 h GLU 80 CO 0.15 0.00 -0.24 0.82 -1.00 0.00 0.00 179.01 178.74 1x47 h ILE 81 N 0.00 0.38 0.05 3.13 2.04 -1.12 -3.21 117.51 118.77 1x47 h ILE 81 Ca 0.58 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.44 1x47 h ILE 81 Cb 1.15 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1x47 h ILE 81 CO -0.96 0.00 -0.02 -0.07 0.00 0.00 0.00 178.15 177.10 1x47 h LEU 82 N -0.21 -0.05 -8.91 1.44 3.38 0.12 -3.42 115.31 107.65 1x47 h LEU 82 Ca 0.16 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.56 1x47 h LEU 82 Cb 0.46 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 1x47 h LEU 82 CO -0.43 0.02 0.93 -0.63 0.09 0.00 0.00 178.44 178.42 1x47 s ILE 83 N -1.75 4.25 0.19 1.22 1.01 0.43 -4.89 121.20 121.67 1x47 s ILE 83 Ca -0.01 1.40 0.05 0.00 0.00 0.00 0.00 60.65 62.09 1x47 s ILE 83 Cb 0.00 -4.31 -0.11 0.00 0.01 0.00 0.00 42.46 38.05 1x47 s ILE 83 CO 0.03 -0.58 1.44 1.55 0.00 0.00 0.00 174.94 177.39 1x47 h PRO 84 N 8.98 0.14 -2.57 2.79 0.13 -1.82 -3.32 132.00 136.33 1x47 h PRO 84 Ca -0.24 -0.14 -0.60 0.00 -0.87 0.00 0.00 66.00 64.15 1x47 h PRO 84 Cb 1.08 0.04 -0.41 0.00 0.13 0.00 0.00 31.00 31.84 1x47 h PRO 84 CO 1.05 0.86 -0.71 -3.47 -0.23 0.00 0.00 178.00 175.50 1x47 n ASP 85 N -3.69 2.31 -0.11 1.44 -0.08 -1.26 -4.89 116.55 110.28 1x47 n ASP 85 Ca -0.02 -3.08 -0.22 0.00 -1.51 0.00 0.00 54.79 49.96 1x47 n ASP 85 Cb 0.75 -0.68 -0.10 0.00 2.34 0.00 0.00 41.12 43.42 1x47 n ASP 85 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1x47 n PHE 86 N 1.72 0.82 -4.38 -0.67 7.35 -1.26 -4.96 117.46 116.07 1x47 n PHE 86 Ca 0.25 0.35 -0.29 0.00 -0.76 0.00 0.00 57.45 57.00 1x47 n PHE 86 Cb 0.41 -1.05 -0.12 0.00 0.35 0.00 0.00 39.48 39.07 1x47 n PHE 86 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1x47 s VAL 87 N -2.39 2.54 -0.96 -2.13 1.01 -1.26 -5.07 120.40 112.15 1x47 s VAL 87 Ca -0.30 -1.60 -0.13 0.00 0.00 0.00 0.00 61.98 59.95 1x47 s VAL 87 Cb 0.07 -2.14 0.22 0.00 0.00 0.00 0.00 36.38 34.54 1x47 s VAL 87 CO 0.54 0.12 0.96 -0.54 0.00 0.00 0.00 175.10 176.18 1x47 s LYS 88 N -2.04 3.83 -0.32 2.72 1.02 -1.26 -4.88 119.74 118.81 1x47 s LYS 88 Ca 0.16 -2.63 0.02 0.00 0.02 0.00 0.00 55.97 53.54 1x47 s LYS 88 Cb -0.10 -4.57 0.19 0.00 -0.52 0.00 0.00 37.83 32.83 1x47 s LYS 88 CO 0.08 -1.36 0.72 -1.14 -0.92 0.00 0.00 175.35 172.73 1x47 s GLN 89 N 0.11 0.50 0.17 1.68 2.00 -1.26 -5.16 119.66 117.69 1x47 s GLN 89 Ca 0.25 0.27 0.01 0.00 -2.00 0.00 0.00 55.36 53.89 1x47 s GLN 89 Cb -0.09 0.17 -0.04 0.00 0.80 0.00 0.00 33.01 33.85 1x47 s GLN 89 CO -0.08 -0.86 0.33 0.95 -0.50 0.00 0.00 175.29 175.13 1x47 s THR 90 N 2.61 5.27 0.25 -0.34 -4.23 -1.26 -4.94 115.64 113.00 1x47 s THR 90 Ca 0.15 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 1x47 s THR 90 Cb -0.06 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.03 1x47 s THR 90 CO -0.21 -0.14 0.00 -0.24 -0.54 0.00 0.00 174.62 173.49 1x47 n SER 91 N -0.63 -2.23 -3.75 3.99 2.88 -1.26 -5.13 113.62 107.49 1x47 n SER 91 Ca -0.06 0.63 -0.13 0.00 -1.33 0.00 0.00 58.87 57.98 1x47 n SER 91 Cb 0.54 2.27 -0.13 0.00 -0.75 0.00 0.00 64.21 66.13 1x47 n SER 91 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1x47 s GLU 92 N -1.80 0.17 -0.20 -1.46 2.12 -1.26 -5.02 118.70 111.25 1x47 s GLU 92 Ca 0.00 0.41 -0.10 0.00 0.36 0.00 0.00 54.97 55.64 1x47 s GLU 92 Cb 0.00 -0.08 0.04 0.00 0.26 0.00 0.00 34.13 34.34 1x47 s GLU 92 CO 0.00 -0.13 0.20 0.43 -0.54 0.00 0.00 175.26 175.22 1x47 n SER 93 N 3.91 -1.74 0.00 -1.70 7.64 -1.26 -5.08 113.62 115.39 1x47 n SER 93 Ca -0.23 1.30 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1x47 n SER 93 Cb 0.54 -5.08 0.00 0.00 -1.01 0.00 0.00 64.21 58.66 1x47 n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x47 n GLY 94 N 1.44 4.49 2.82 0.23 0.00 -1.26 -5.03 105.19 107.88 1x47 n GLY 94 Ca -0.33 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 1x47 n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x47 n PRO 95 N 0.00 2.28 -2.87 1.61 -0.04 -1.26 -4.50 135.00 130.22 1x47 n PRO 95 Ca 0.00 -2.10 -0.05 0.00 -0.04 0.00 0.00 63.50 61.31 1x47 n PRO 95 Cb 0.00 -2.98 0.01 0.00 -0.04 0.00 0.00 33.50 30.49 1x47 n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x47 n SER 96 N 6.18 -7.68 0.40 3.54 2.88 -1.26 -4.92 113.62 112.76 1x47 n SER 96 Ca 0.53 0.95 -0.19 0.00 -1.33 0.00 0.00 58.87 58.82 1x47 n SER 96 Cb 0.35 -4.67 -0.10 0.00 -0.75 0.00 0.00 64.21 59.04 1x47 n SER 96 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1x47 h SER 97 N 2.75 -1.23 0.00 -3.46 0.87 -1.99 -3.54 113.55 106.95 1x47 h SER 97 Ca -0.04 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1x47 h SER 97 Cb 0.51 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1x47 h SER 97 CO 0.13 -0.72 0.00 0.61 -0.53 0.00 0.00 176.83 176.32