#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x47 n SER 2 N 0.00 -3.33 -3.68 1.61 2.88 -1.26 -5.05 113.62 104.79 1x47 n SER 2 Ca 0.00 1.26 -0.10 0.00 -1.33 0.00 0.00 58.87 58.70 1x47 n SER 2 Cb 0.00 -3.92 -0.10 0.00 -0.75 0.00 0.00 64.21 59.44 1x47 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x47 s SER 3 N -0.42 -0.63 0.00 -3.46 0.15 -1.26 -5.11 113.70 102.98 1x47 s SER 3 Ca -0.17 1.06 0.00 0.00 0.70 0.00 0.00 55.95 57.54 1x47 s SER 3 Cb 0.01 0.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.27 1x47 s SER 3 CO 0.45 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1x47 n GLY 4 N 4.16 -3.13 3.75 9.45 0.00 -1.26 -4.99 105.19 113.17 1x47 n GLY 4 Ca -0.22 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 1x47 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x47 s SER 5 N -1.06 6.37 -0.32 1.61 0.01 -1.26 -5.03 113.70 114.02 1x47 s SER 5 Ca 0.00 0.43 -0.06 0.00 1.31 0.00 0.00 55.95 57.62 1x47 s SER 5 Cb 0.00 -2.14 0.19 0.00 0.21 0.00 0.00 66.02 64.28 1x47 s SER 5 CO 0.00 0.18 0.94 -0.55 0.41 0.00 0.00 173.24 174.22 1x47 s SER 6 N 0.15 -0.69 0.08 2.44 0.15 -1.26 -5.17 113.70 109.40 1x47 s SER 6 Ca 0.14 -0.09 0.07 0.00 0.70 0.00 0.00 55.95 56.77 1x47 s SER 6 Cb -0.12 1.21 -0.03 0.00 -1.71 0.00 0.00 66.02 65.36 1x47 s SER 6 CO 0.02 -0.11 -0.19 -0.83 1.20 0.00 0.00 173.24 173.34 1x47 s GLY 7 N 2.53 1.10 0.10 9.45 0.00 -1.26 -4.97 107.32 114.27 1x47 s GLY 7 Ca 0.20 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.79 1x47 s GLY 7 CO -0.19 -1.12 0.00 1.18 0.00 0.00 0.00 173.10 172.97 1x47 n GLU 8 N 1.32 0.00 -1.61 2.90 1.02 -1.26 -5.13 120.64 117.88 1x47 n GLU 8 Ca -0.19 0.00 -0.47 0.00 -0.02 0.00 0.00 57.16 56.47 1x47 n GLU 8 Cb 0.54 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.92 1x47 n GLU 8 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1x47 n PHE 9 N -3.09 1.62 -3.82 -0.32 7.35 -1.26 -4.95 117.46 112.99 1x47 n PHE 9 Ca 0.00 0.58 -0.36 0.00 -0.76 0.00 0.00 57.45 56.91 1x47 n PHE 9 Cb 0.00 -2.35 -0.12 0.00 0.35 0.00 0.00 39.48 37.37 1x47 n PHE 9 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1x47 s VAL 10 N -0.10 4.57 -0.10 -2.13 0.11 -1.26 -5.07 120.40 116.42 1x47 s VAL 10 Ca 0.72 -0.09 -0.22 0.00 -2.93 0.00 0.00 61.98 59.46 1x47 s VAL 10 Cb -0.78 -3.12 -0.03 0.00 -1.53 0.00 0.00 36.38 30.91 1x47 s VAL 10 CO 0.51 0.36 0.65 -0.63 -3.33 0.00 0.00 175.10 172.66 1x47 s ILE 11 N 1.26 5.06 -0.05 7.04 1.01 -1.26 -5.06 121.20 129.21 1x47 s ILE 11 Ca 0.05 1.32 0.06 0.00 0.00 0.00 0.00 60.65 62.08 1x47 s ILE 11 Cb -0.15 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.32 1x47 s ILE 11 CO 0.04 0.23 -0.24 0.21 0.00 0.00 0.00 174.94 175.18 1x47 s ASN 12 N 0.85 2.92 -0.57 3.58 2.47 -1.26 -5.08 114.94 117.85 1x47 s ASN 12 Ca 0.34 -0.48 -0.28 0.00 0.42 0.00 0.00 52.86 52.87 1x47 s ASN 12 Cb -0.17 -0.69 0.01 0.00 -1.45 0.00 0.00 41.25 38.95 1x47 s ASN 12 CO 0.15 0.25 1.50 -2.16 -3.72 0.00 0.00 177.10 173.12 1x47 s PRO 13 N -0.24 3.18 -0.30 0.43 0.04 -1.26 -4.88 135.00 131.98 1x47 s PRO 13 Ca -0.00 0.48 -0.07 0.00 0.04 0.00 0.00 61.00 61.44 1x47 s PRO 13 Cb -0.12 -4.18 0.19 0.00 0.04 0.00 0.00 34.50 30.42 1x47 s PRO 13 CO 0.02 -2.08 0.90 0.54 0.04 0.00 0.00 177.00 176.42 1x47 s ASN 14 N 5.07 -0.79 0.50 6.66 4.22 -1.26 -5.14 114.94 124.21 1x47 s ASN 14 Ca 0.55 0.30 0.00 0.00 -2.14 0.00 0.00 52.86 51.57 1x47 s ASN 14 Cb -0.12 1.58 0.00 0.00 1.28 0.00 0.00 41.25 44.00 1x47 s ASN 14 CO 0.24 -0.15 0.00 0.61 -2.04 0.00 0.00 177.10 175.76 1x47 n GLY 15 N 5.35 -4.01 3.54 0.45 0.00 -1.26 -4.85 105.19 104.41 1x47 n GLY 15 Ca 0.01 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 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 -4.99 3.66 0.42 1.61 -2.85 -1.26 -5.05 119.74 111.29 1x47 s LYS 16 Ca 0.00 -0.52 0.08 0.00 -1.00 0.00 0.00 55.97 54.53 1x47 s LYS 16 Cb 0.00 -3.71 -0.01 0.00 -2.06 0.00 0.00 37.83 32.05 1x47 s LYS 16 CO 0.00 -0.33 0.41 -1.12 0.10 0.00 0.00 175.35 174.41 1x47 s SER 17 N 1.72 5.14 0.15 0.03 0.01 -1.26 -4.83 113.70 114.66 1x47 s SER 17 Ca 0.06 -0.70 -0.29 0.00 1.31 0.00 0.00 55.95 56.33 1x47 s SER 17 Cb -0.17 -0.57 -0.03 0.00 0.21 0.00 0.00 66.02 65.46 1x47 s SER 17 CO 0.10 -0.68 1.56 -0.08 0.41 0.00 0.00 173.24 174.55 1x47 h GLU 18 N 0.96 -0.26 -0.87 12.44 4.57 -1.97 1.17 114.58 130.62 1x47 h GLU 18 Ca -0.41 0.02 0.22 0.00 -1.18 0.00 0.00 59.36 58.01 1x47 h GLU 18 Cb 1.27 0.06 -0.15 0.00 -0.16 0.00 0.00 28.75 29.76 1x47 h GLU 18 CO 0.55 -0.17 0.07 -0.39 -1.18 0.00 0.00 179.01 177.89 1x47 h VAL 19 N -0.27 0.21 0.52 0.32 -1.51 -1.88 0.89 116.25 114.54 1x47 h VAL 19 Ca 0.14 -0.03 -0.03 0.00 -1.23 0.00 0.00 66.70 65.55 1x47 h VAL 19 Cb 0.56 0.11 0.01 0.00 -2.13 0.00 0.00 31.29 29.84 1x47 h VAL 19 CO -0.68 0.02 -0.25 0.00 -1.23 0.00 0.00 177.57 175.42 1x47 h ILE 21 N -1.02 0.00 -0.98 0.00 2.04 0.28 0.73 117.51 118.56 1x47 h ILE 21 Ca -0.07 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.00 1x47 h ILE 21 Cb 0.53 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 36.43 1x47 h ILE 21 CO 0.12 0.00 -0.18 0.25 0.00 0.00 0.00 178.15 178.34 1x47 h LEU 22 N -0.01 -0.81 0.39 1.44 7.12 0.65 0.55 115.31 124.63 1x47 h LEU 22 Ca 0.07 0.29 -0.01 0.00 0.13 0.00 0.00 57.88 58.36 1x47 h LEU 22 Cb 0.19 0.58 -0.01 0.00 -0.53 0.00 0.00 40.66 40.89 1x47 h LEU 22 CO -0.42 -0.33 -0.30 -0.74 -0.13 0.00 0.00 178.44 176.52 1x47 h HIS 23 N 0.00 -0.80 0.00 1.25 2.76 0.72 -0.23 115.15 118.85 1x47 h HIS 23 Ca 0.50 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.67 1x47 h HIS 23 Cb 0.84 0.30 0.00 0.00 1.55 0.00 0.00 27.41 30.10 1x47 h HIS 23 CO -0.70 -0.45 0.00 -1.91 -1.30 0.00 0.00 177.93 173.58 1x47 n GLU 24 N -5.43 0.00 -0.30 5.26 0.00 0.18 0.83 120.64 121.18 1x47 n GLU 24 Ca -0.10 0.81 0.13 0.00 0.00 0.00 0.00 57.16 58.00 1x47 n GLU 24 Cb 0.33 -1.41 0.28 0.00 0.00 0.00 0.00 31.44 30.63 1x47 n GLU 24 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.13 176.21 1x47 h TYR 25 N 0.00 0.18 0.67 4.31 5.03 -1.15 1.09 116.97 127.10 1x47 h TYR 25 Ca 0.00 0.06 -0.03 0.00 2.58 0.00 0.00 58.73 61.34 1x47 h TYR 25 Cb 0.00 0.06 -0.00 0.00 1.55 0.00 0.00 36.73 38.34 1x47 h TYR 25 CO -0.58 -0.29 -0.41 0.52 -1.32 0.00 0.00 178.16 176.08 1x47 h MET 26 N 0.12 -0.98 0.00 1.82 2.86 0.68 1.43 114.93 120.87 1x47 h MET 26 Ca 0.55 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.26 1x47 h MET 26 Cb 1.13 0.22 0.00 0.00 0.06 0.00 0.00 31.60 33.01 1x47 h MET 26 CO -0.74 -0.65 0.00 0.94 1.06 0.00 0.00 176.91 177.52 1x47 n GLN 27 N -5.01 0.13 -0.10 1.72 7.27 0.24 0.23 117.38 121.87 1x47 n GLN 27 Ca -0.12 0.20 -0.24 0.00 0.07 0.00 0.00 57.00 56.91 1x47 n GLN 27 Cb 0.42 -1.50 -0.11 0.00 2.41 0.00 0.00 30.24 31.46 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 -1.32 0.61 -0.11 3.69 0.63 0.36 -3.42 116.66 117.11 1x47 n ARG 28 Ca 0.05 0.39 -0.22 0.00 -0.92 0.00 0.00 57.85 57.15 1x47 n ARG 28 Cb 0.09 -1.64 -0.09 0.00 0.45 0.00 0.00 32.46 31.27 1x47 n ARG 28 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1x47 n VAL 29 N -4.11 1.52 -0.03 5.15 0.24 0.48 -4.55 118.33 117.02 1x47 n VAL 29 Ca -0.40 -0.10 -0.15 0.00 -2.04 0.00 0.00 64.34 61.65 1x47 n VAL 29 Cb 0.83 -2.05 -0.11 0.00 -1.47 0.00 0.00 33.84 31.04 1x47 n VAL 29 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1x47 h LEU 30 N -1.00 0.19 -1.34 1.34 3.38 0.27 -3.49 115.31 114.66 1x47 h LEU 30 Ca -0.40 -0.77 -0.01 0.00 0.09 0.00 0.00 57.88 56.79 1x47 h LEU 30 Cb 1.29 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.99 1x47 h LEU 30 CO -0.24 0.93 -0.03 1.17 0.09 0.00 0.00 178.44 180.36 1x47 n LYS 31 N -4.54 -0.30 -3.81 1.13 4.81 0.53 -4.92 118.16 111.05 1x47 n LYS 31 Ca -0.10 0.03 -0.12 0.00 -0.87 0.00 0.00 58.31 57.26 1x47 n LYS 31 Cb 0.48 -2.63 -0.10 0.00 0.02 0.00 0.00 35.03 32.80 1x47 n LYS 31 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1x47 s VAL 32 N -3.01 0.05 -0.30 3.15 -7.23 -1.25 -4.90 120.40 106.91 1x47 s VAL 32 Ca 0.02 -0.41 -0.25 0.00 -1.81 0.00 0.00 61.98 59.52 1x47 s VAL 32 Cb -0.01 -0.45 0.01 0.00 0.56 0.00 0.00 36.38 36.48 1x47 s VAL 32 CO 0.03 -0.23 0.88 -0.13 -0.31 0.00 0.00 175.10 175.34 1x47 s ARG 33 N -0.90 4.01 0.22 4.82 3.00 -1.26 -3.76 118.95 125.09 1x47 s ARG 33 Ca -0.10 0.76 -0.30 0.00 0.00 0.00 0.00 55.73 56.10 1x47 s ARG 33 Cb -0.05 -3.72 -0.08 0.00 0.00 0.00 0.00 34.95 31.09 1x47 s ARG 33 CO 0.02 -0.73 1.10 -1.25 0.00 0.00 0.00 175.30 174.44 1x47 s PRO 34 N 3.14 4.61 -0.18 3.54 0.04 -1.26 -4.62 135.00 140.27 1x47 s PRO 34 Ca 0.36 1.75 -0.15 0.00 0.04 0.00 0.00 61.00 63.01 1x47 s PRO 34 Cb -0.14 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 1x47 s PRO 34 CO 0.13 0.13 0.35 0.08 0.04 0.00 0.00 177.00 177.72 1x47 s VAL 35 N -0.61 5.26 -0.46 -0.36 1.01 0.11 -4.93 120.40 120.41 1x47 s VAL 35 Ca 0.47 0.63 -0.21 0.00 0.00 0.00 0.00 61.98 62.88 1x47 s VAL 35 Cb -0.30 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.43 1x47 s VAL 35 CO 0.37 0.33 0.67 -0.31 0.00 0.00 0.00 175.10 176.16 1x47 s TYR 36 N 0.84 3.03 0.03 5.22 1.51 -1.26 0.73 117.35 127.45 1x47 s TYR 36 Ca 0.18 -0.16 -0.16 0.00 -1.01 0.00 0.00 57.07 55.91 1x47 s TYR 36 Cb -0.14 -3.46 -0.06 0.00 -0.11 0.00 0.00 41.96 38.19 1x47 s TYR 36 CO 0.06 -0.96 0.47 -0.80 -1.11 0.00 0.00 175.55 173.21 1x47 s ASN 37 N 2.24 6.91 0.00 2.29 0.01 0.51 -4.91 114.94 121.99 1x47 s ASN 37 Ca 0.22 1.08 0.05 0.00 -0.71 0.00 0.00 52.86 53.49 1x47 s ASN 37 Cb -0.15 -2.29 -0.02 0.00 0.41 0.00 0.00 41.25 39.20 1x47 s ASN 37 CO 0.17 0.30 -0.16 -0.36 -1.51 0.00 0.00 177.10 175.55 1x47 s PHE 38 N -1.08 1.39 0.27 2.20 0.40 -1.26 0.16 117.98 120.06 1x47 s PHE 38 Ca 0.26 -0.29 -0.15 0.00 -0.60 0.00 0.00 56.93 56.15 1x47 s PHE 38 Cb -0.18 -0.87 0.01 0.00 0.51 0.00 0.00 43.02 42.49 1x47 s PHE 38 CO 0.15 0.00 0.57 -0.59 0.70 0.00 0.00 175.22 176.05 1x47 s PHE 39 N -0.50 0.23 0.61 0.36 -0.12 -0.84 -5.00 117.98 112.72 1x47 s PHE 39 Ca 0.05 -0.63 -0.10 0.00 -0.05 0.00 0.00 56.93 56.20 1x47 s PHE 39 Cb -0.07 0.37 -0.02 0.00 -0.63 0.00 0.00 43.02 42.67 1x47 s PHE 39 CO 0.00 -1.11 0.99 -1.83 -0.05 0.00 0.00 175.22 173.22 1x47 s GLU 40 N -3.82 3.38 -0.19 1.99 -1.05 -1.26 -3.21 118.70 114.54 1x47 s GLU 40 Ca 0.19 0.54 -0.01 0.00 -0.15 0.00 0.00 54.97 55.54 1x47 s GLU 40 Cb -0.02 -2.13 0.00 0.00 -0.44 0.00 0.00 34.13 31.53 1x47 s GLU 40 CO 0.09 -0.62 -0.12 0.00 0.95 0.00 0.00 175.26 175.57 1x47 h GLU 42 N 7.81 0.00 -6.32 0.00 3.07 -1.93 -3.40 114.58 113.81 1x47 h GLU 42 Ca -0.40 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 57.91 1x47 h GLU 42 Cb 1.16 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.03 1x47 h GLU 42 CO 0.60 0.00 0.07 -0.80 -1.40 0.00 0.00 179.01 177.49 1x47 s ASN 43 N -5.30 7.19 0.19 1.42 0.01 -1.26 -4.97 114.94 112.22 1x47 s ASN 43 Ca -0.04 1.41 0.04 0.00 -0.71 0.00 0.00 52.86 53.55 1x47 s ASN 43 Cb 0.17 -2.43 0.07 0.00 0.41 0.00 0.00 41.25 39.47 1x47 s ASN 43 CO 0.59 0.19 1.43 1.55 -1.51 0.00 0.00 177.10 179.35 1x47 h PRO 44 N 4.80 0.19 -0.76 -0.60 0.13 -2.01 -3.30 132.00 130.45 1x47 h PRO 44 Ca -0.47 -0.18 0.07 0.00 -0.87 0.00 0.00 66.00 64.55 1x47 h PRO 44 Cb 1.21 0.05 -0.10 0.00 0.13 0.00 0.00 31.00 32.28 1x47 h PRO 44 CO 0.66 0.89 -0.56 1.03 -0.23 0.00 0.00 178.00 179.80 1x47 h SER 45 N 0.12 -1.98 -3.64 1.44 0.87 -1.93 -3.28 113.55 105.14 1x47 h SER 45 Ca -0.03 0.29 -0.62 0.00 -1.23 0.00 0.00 61.79 60.20 1x47 h SER 45 Cb 1.39 0.85 -0.40 0.00 -0.44 0.00 0.00 62.40 63.80 1x47 h SER 45 CO 0.12 -0.28 -0.72 -1.61 -0.53 0.00 0.00 176.83 173.81 1x47 s GLU 46 N -5.44 1.36 0.43 2.24 2.02 -1.25 -4.68 118.70 113.38 1x47 s GLU 46 Ca -0.12 -1.99 0.28 0.00 0.02 0.00 0.00 54.97 53.15 1x47 s GLU 46 Cb 0.10 -2.55 0.88 0.00 0.10 0.00 0.00 34.13 32.66 1x47 s GLU 46 CO 0.59 -1.11 1.79 -1.00 0.02 0.00 0.00 175.26 175.55 1x47 h PRO 47 N 6.94 0.00 -5.84 0.39 0.13 -1.64 -3.41 132.00 128.56 1x47 h PRO 47 Ca -0.04 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.48 1x47 h PRO 47 Cb 0.94 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.95 1x47 h PRO 47 CO 0.52 0.00 0.58 -0.06 -0.23 0.00 0.00 178.00 178.81 1x47 s PHE 48 N -3.39 2.77 0.02 1.56 0.40 -1.20 -2.97 117.98 115.17 1x47 s PHE 48 Ca 0.05 -0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.37 1x47 s PHE 48 Cb 0.08 -4.11 -0.02 0.00 0.51 0.00 0.00 43.02 39.48 1x47 s PHE 48 CO 0.58 -1.40 -0.14 0.20 0.70 0.00 0.00 175.22 175.16 1x47 s GLY 49 N 2.94 0.77 0.12 4.36 0.00 -1.20 -0.26 107.32 114.04 1x47 s GLY 49 Ca 0.30 -0.76 -0.11 0.00 0.00 0.00 0.00 44.72 44.15 1x47 s GLY 49 CO 0.18 -0.70 0.28 0.00 0.00 0.00 0.00 173.10 172.86 1x47 s ALA 50 N -0.67 -0.42 0.16 3.20 0.00 0.05 -1.99 121.76 122.08 1x47 s ALA 50 Ca 0.03 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 1x47 s ALA 50 Cb -0.07 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 1x47 s ALA 50 CO 0.01 -0.58 0.08 -1.54 0.00 0.00 0.00 175.76 173.73 1x47 s SER 51 N -2.86 0.26 -0.31 0.00 1.04 0.42 -1.40 113.70 110.85 1x47 s SER 51 Ca 0.06 -1.27 0.03 0.00 0.48 0.00 0.00 55.95 55.25 1x47 s SER 51 Cb 0.03 0.32 0.08 0.00 0.10 0.00 0.00 66.02 66.56 1x47 s SER 51 CO -0.09 -0.77 -0.00 -0.69 0.98 0.00 0.00 173.24 172.67 1x47 s VAL 52 N -4.08 2.38 -0.23 5.02 1.01 0.25 -0.36 120.40 124.39 1x47 s VAL 52 Ca 0.29 -1.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.13 1x47 s VAL 52 Cb 0.07 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1x47 s VAL 52 CO 0.05 -0.36 0.41 0.42 0.00 0.00 0.00 175.10 175.63 1x47 s THR 53 N 1.02 5.17 -0.50 3.92 -4.23 0.22 -1.53 115.64 119.72 1x47 s THR 53 Ca 0.02 0.71 -0.15 0.00 -1.18 0.00 0.00 61.69 61.08 1x47 s THR 53 Cb -0.20 -3.74 0.10 0.00 1.34 0.00 0.00 72.50 70.00 1x47 s THR 53 CO -0.06 0.21 0.44 -0.63 -0.54 0.00 0.00 174.62 174.03 1x47 s ILE 54 N 1.63 5.16 -1.43 2.99 1.01 0.50 0.08 121.20 131.13 1x47 s ILE 54 Ca 0.18 -1.29 0.00 0.00 0.00 0.00 0.00 60.65 59.54 1x47 s ILE 54 Cb -0.15 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.13 1x47 s ILE 54 CO 0.09 -0.71 0.00 -0.67 0.00 0.00 0.00 174.94 173.64 1x47 n ASP 55 N 5.21 -5.08 0.00 3.58 2.03 -1.26 -1.35 116.55 119.67 1x47 n ASP 55 Ca -0.13 0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1x47 n ASP 55 Cb 0.42 -3.77 0.00 0.00 -0.72 0.00 0.00 41.12 37.05 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 -0.72 1.87 3.68 0.27 0.00 -1.26 -4.05 105.19 104.98 1x47 n GLY 56 Ca -0.14 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.14 3.76 0.15 1.61 1.01 -0.46 -4.89 120.40 120.45 1x47 s VAL 57 Ca 0.00 1.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.78 1x47 s VAL 57 Cb 0.00 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 1x47 s VAL 57 CO 0.00 -0.02 0.97 -0.89 0.00 0.00 0.00 175.10 175.16 1x47 s THR 58 N 2.68 4.31 0.00 3.92 2.01 -1.26 0.19 115.64 127.48 1x47 s THR 58 Ca 0.64 2.03 0.00 0.00 0.31 0.00 0.00 61.69 64.67 1x47 s THR 58 Cb -0.31 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 67.91 1x47 s THR 58 CO 0.26 0.37 0.00 -1.22 -0.69 0.00 0.00 174.62 173.33 1x47 n TYR 59 N 2.37 0.00 -3.09 4.92 4.02 -0.58 -4.91 117.16 119.88 1x47 n TYR 59 Ca 0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.50 1x47 n TYR 59 Cb 0.48 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.75 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 -1.47 2.32 -0.10 2.72 0.00 -1.25 -4.83 107.32 104.72 1x47 s GLY 60 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 44.72 44.61 1x47 s GLY 60 CO 0.00 1.23 0.22 -1.35 0.00 0.00 0.00 173.10 173.20 1x47 s SER 61 N 0.96 -0.20 0.28 1.64 1.04 -1.26 0.88 113.70 117.04 1x47 s SER 61 Ca 0.33 0.47 -0.19 0.00 0.48 0.00 0.00 55.95 57.04 1x47 s SER 61 Cb -0.17 0.36 0.07 0.00 0.10 0.00 0.00 66.02 66.38 1x47 s SER 61 CO 0.14 -0.16 0.92 -0.83 0.98 0.00 0.00 173.24 174.29 1x47 s GLY 62 N 1.28 0.25 0.27 7.32 0.00 -0.49 -4.88 107.32 111.08 1x47 s GLY 62 Ca -0.09 -0.55 0.04 0.00 0.00 0.00 0.00 44.72 44.12 1x47 s GLY 62 CO -0.08 1.21 0.21 -0.51 0.00 0.00 0.00 173.10 173.93 1x47 s THR 63 N -2.18 0.03 0.14 0.90 -4.23 -1.26 -0.77 115.64 108.26 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 -0.04 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.35 1x47 s THR 63 CO 0.08 0.00 0.71 0.00 -0.54 0.00 0.00 174.62 174.87 1x47 n ALA 64 N -0.47 -1.83 0.21 3.99 0.00 0.64 -4.65 120.51 118.39 1x47 n ALA 64 Ca 0.05 -0.73 0.10 0.00 0.00 0.00 0.00 53.44 52.85 1x47 n ALA 64 Cb 0.64 0.43 0.34 0.00 0.00 0.00 0.00 19.45 20.86 1x47 n ALA 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x47 h SER 65 N 1.38 0.00 -2.13 0.00 0.87 -1.84 -3.18 113.55 108.65 1x47 h SER 65 Ca -0.19 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.76 1x47 h SER 65 Cb 0.84 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.67 1x47 h SER 65 CO 0.26 0.20 -0.72 -0.44 -0.53 0.00 0.00 176.83 175.60 1x47 s SER 66 N -6.17 3.75 0.01 6.23 0.01 -1.26 -4.81 113.70 111.45 1x47 s SER 66 Ca 0.03 -1.03 -0.23 0.00 1.31 0.00 0.00 55.95 56.02 1x47 s SER 66 Cb 0.08 -0.37 -0.18 0.00 0.21 0.00 0.00 66.02 65.76 1x47 s SER 66 CO 0.65 -0.04 1.30 0.50 0.41 0.00 0.00 173.24 176.06 1x47 h LYS 67 N 2.15 0.18 -0.13 12.44 3.64 -1.89 -2.95 116.57 130.01 1x47 h LYS 67 Ca -0.41 -0.10 0.05 0.00 -1.27 0.00 0.00 60.65 58.92 1x47 h LYS 67 Cb 1.26 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.02 1x47 h LYS 67 CO 0.63 0.62 -0.35 0.87 -2.27 0.00 0.00 179.45 178.95 1x47 h LYS 68 N -0.26 -0.41 -0.77 1.90 1.57 -1.97 -0.33 116.57 116.29 1x47 h LYS 68 Ca 0.01 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.95 1x47 h LYS 68 Cb 0.59 0.09 -0.14 0.00 0.08 0.00 0.00 32.23 32.86 1x47 h LYS 68 CO 0.02 -0.28 -0.34 -0.07 -0.57 0.00 0.00 179.45 178.22 1x47 h LEU 69 N -0.43 -1.20 -0.04 2.94 -0.00 -1.96 1.58 115.31 116.20 1x47 h LEU 69 Ca 0.09 0.26 0.04 0.00 -0.00 0.00 0.00 57.88 58.27 1x47 h LEU 69 Cb 0.57 0.63 -0.06 0.00 -0.00 0.00 0.00 40.66 41.81 1x47 h LEU 69 CO -0.36 -0.29 -0.36 0.00 -0.00 0.00 0.00 178.44 177.42 1x47 h ALA 70 N 1.26 -0.53 -0.93 1.53 0.00 -1.04 1.45 119.26 121.01 1x47 h ALA 70 Ca 0.30 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.27 1x47 h ALA 70 Cb 0.58 0.65 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1x47 h ALA 70 CO -0.82 -0.87 0.58 -0.22 0.00 0.00 0.00 179.25 177.92 1x47 h LYS 71 N -0.49 0.99 -0.29 0.00 3.64 1.00 0.78 116.57 122.19 1x47 h LYS 71 Ca 0.07 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1x47 h LYS 71 Cb 0.60 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1x47 h LYS 71 CO -0.31 0.66 0.12 -0.97 -2.27 0.00 0.00 179.45 176.67 1x47 h ASN 72 N 1.02 0.40 -0.16 4.20 -1.24 0.39 -1.14 115.58 119.06 1x47 h ASN 72 Ca 0.42 -0.17 -0.01 0.00 0.71 0.00 0.00 56.30 57.25 1x47 h ASN 72 Cb 0.25 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 1x47 h ASN 72 CO -0.20 0.46 0.07 0.11 -1.29 0.00 0.00 177.43 176.58 1x47 h LYS 73 N 0.32 0.23 -0.63 6.67 1.57 0.32 1.43 116.57 126.49 1x47 h LYS 73 Ca 0.10 -0.04 0.13 0.00 -1.87 0.00 0.00 60.65 58.97 1x47 h LYS 73 Cb 0.18 -0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.35 1x47 h LYS 73 CO -0.01 0.30 0.03 0.00 -0.57 0.00 0.00 179.45 179.20 1x47 h ALA 74 N 0.92 0.65 0.15 3.86 0.00 0.72 0.72 119.26 126.28 1x47 h ALA 74 Ca 0.05 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1x47 h ALA 74 Cb 0.15 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1x47 h ALA 74 CO -0.01 -0.38 -0.07 0.00 0.00 0.00 0.00 179.25 178.79 1x47 h ALA 75 N 1.56 -0.20 -0.93 0.00 0.00 -0.86 -2.15 119.26 116.67 1x47 h ALA 75 Ca 0.33 -0.23 0.27 0.00 0.00 0.00 0.00 54.91 55.28 1x47 h ALA 75 Cb 0.53 0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.25 1x47 h ALA 75 CO -0.51 -0.29 0.25 -0.09 0.00 0.00 0.00 179.25 178.61 1x47 h ARG 76 N -0.86 0.14 0.40 0.00 2.43 0.26 0.43 114.38 117.19 1x47 h ARG 76 Ca -0.02 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1x47 h ARG 76 Cb 0.53 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1x47 h ARG 76 CO 0.03 0.09 -0.19 0.00 -1.51 0.00 0.00 179.97 178.39 1x47 h ALA 77 N 1.86 -0.54 -0.94 2.80 0.00 0.41 -2.01 119.26 120.83 1x47 h ALA 77 Ca 0.61 -0.18 0.24 0.00 0.00 0.00 0.00 54.91 55.58 1x47 h ALA 77 Cb 1.32 0.21 -0.13 0.00 0.00 0.00 0.00 17.79 19.19 1x47 h ALA 77 CO -0.73 -0.66 0.47 1.15 0.00 0.00 0.00 179.25 179.49 1x47 h THR 78 N -0.83 0.46 0.83 0.00 2.02 0.02 0.42 112.91 115.83 1x47 h THR 78 Ca -0.06 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 1x47 h THR 78 Cb 0.54 -0.01 0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1x47 h THR 78 CO 0.09 0.08 -0.40 -0.07 0.37 0.00 0.00 175.52 175.59 1x47 h LEU 79 N 0.44 -0.94 -0.77 2.58 3.38 -0.15 -2.44 115.31 117.41 1x47 h LEU 79 Ca 0.61 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.77 1x47 h LEU 79 Cb 1.20 0.24 -0.15 0.00 0.09 0.00 0.00 40.66 42.05 1x47 h LEU 79 CO -0.53 -0.67 -0.21 -0.33 0.09 0.00 0.00 178.44 176.79 1x47 h GLU 80 N -1.11 -0.01 -0.61 1.13 5.08 -0.42 1.52 114.58 120.16 1x47 h GLU 80 Ca -0.11 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.35 1x47 h GLU 80 Cb 0.85 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.99 1x47 h GLU 80 CO 0.19 -0.01 -0.34 0.82 -1.00 0.00 0.00 179.01 178.67 1x47 h ILE 81 N -0.01 0.16 0.11 3.13 2.04 -0.80 -2.98 117.51 119.16 1x47 h ILE 81 Ca 0.36 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.22 1x47 h ILE 81 Cb 0.57 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1x47 h ILE 81 CO -0.79 0.00 -0.06 -0.07 0.00 0.00 0.00 178.15 177.23 1x47 h LEU 82 N -0.16 -0.13 -8.90 1.44 3.38 -0.08 -3.42 115.31 107.45 1x47 h LEU 82 Ca 0.23 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.64 1x47 h LEU 82 Cb 0.55 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 1x47 h LEU 82 CO -0.70 0.02 0.91 -0.63 0.09 0.00 0.00 178.44 178.13 1x47 s ILE 83 N -2.14 4.32 0.01 1.22 1.01 0.49 -4.88 121.20 121.23 1x47 s ILE 83 Ca -0.02 1.47 0.19 0.00 0.00 0.00 0.00 60.65 62.29 1x47 s ILE 83 Cb 0.00 -4.38 0.15 0.00 0.01 0.00 0.00 42.46 38.25 1x47 s ILE 83 CO 0.07 -0.61 1.66 1.55 0.00 0.00 0.00 174.94 177.61 1x47 h PRO 84 N 8.77 0.00 -2.49 2.79 0.13 -1.82 -3.32 132.00 136.06 1x47 h PRO 84 Ca -0.23 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.31 1x47 h PRO 84 Cb 1.07 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.82 1x47 h PRO 84 CO 1.06 0.35 -0.91 -0.51 -0.23 0.00 0.00 178.00 177.76 1x47 s ASP 85 N -6.35 2.04 -0.18 1.44 1.01 -1.26 -4.91 116.67 108.45 1x47 s ASP 85 Ca 0.02 -3.00 0.13 0.00 0.71 0.00 0.00 52.55 50.41 1x47 s ASP 85 Cb 0.09 -0.57 -0.21 0.00 1.01 0.00 0.00 42.92 43.25 1x47 s ASP 85 CO 0.69 -0.19 0.02 0.33 0.21 0.00 0.00 175.17 176.23 1x47 n PHE 86 N 2.95 0.00 -4.63 4.23 7.35 -1.26 -5.01 117.46 121.09 1x47 n PHE 86 Ca 0.26 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.66 1x47 n PHE 86 Cb 0.45 -0.88 -0.10 0.00 0.35 0.00 0.00 39.48 39.30 1x47 n PHE 86 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1x47 s VAL 87 N -2.44 1.57 0.00 -2.13 -7.23 -1.26 -5.10 120.40 103.82 1x47 s VAL 87 Ca -0.13 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.04 1x47 s VAL 87 Cb 0.06 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.30 1x47 s VAL 87 CO 0.70 0.00 0.00 1.17 -0.31 0.00 0.00 175.10 176.66 1x47 n LYS 88 N -1.01 0.00 -2.14 4.82 4.81 -1.26 -5.08 118.16 118.29 1x47 n LYS 88 Ca -0.09 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1x47 n LYS 88 Cb 0.67 -0.81 0.00 0.00 0.02 0.00 0.00 35.03 34.91 1x47 n LYS 88 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1x47 n GLN 89 N -1.92 -4.93 -3.90 1.64 7.27 -1.26 -4.98 117.38 109.30 1x47 n GLN 89 Ca 0.00 3.58 -0.30 0.00 0.07 0.00 0.00 57.00 60.35 1x47 n GLN 89 Cb 0.00 -4.24 -0.14 0.00 2.41 0.00 0.00 30.24 28.26 1x47 n GLN 89 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1x47 s THR 90 N -0.53 1.96 -0.19 1.69 2.01 -1.26 -4.92 115.64 114.41 1x47 s THR 90 Ca 0.00 -2.46 -0.13 0.00 0.31 0.00 0.00 61.69 59.40 1x47 s THR 90 Cb 0.00 -2.42 0.02 0.00 0.01 0.00 0.00 72.50 70.11 1x47 s THR 90 CO 0.00 -0.71 0.24 -1.54 -0.69 0.00 0.00 174.62 171.92 1x47 n SER 91 N 3.95 -6.40 0.02 3.53 3.41 -1.26 -4.89 113.62 111.97 1x47 n SER 91 Ca 0.04 0.31 -0.11 0.00 -0.26 0.00 0.00 58.87 58.85 1x47 n SER 91 Cb 0.38 -2.07 -0.14 0.00 -0.26 0.00 0.00 64.21 62.13 1x47 n SER 91 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1x47 h GLU 92 N 3.00 0.08 -3.63 4.33 4.11 -2.01 -3.48 114.58 116.98 1x47 h GLU 92 Ca -0.18 -0.13 -0.06 0.00 0.07 0.00 0.00 59.36 59.05 1x47 h GLU 92 Cb 1.05 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.25 1x47 h GLU 92 CO 0.09 0.83 -0.13 0.45 0.07 0.00 0.00 179.01 180.32 1x47 s SER 93 N -6.54 -0.10 0.00 3.06 0.15 -1.26 -5.18 113.70 103.83 1x47 s SER 93 Ca -0.05 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 55.77 1x47 s SER 93 Cb 0.08 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 1x47 s SER 93 CO 0.83 -1.07 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1x47 n GLY 94 N -0.34 5.18 3.56 9.45 0.00 -1.26 -5.03 105.19 116.75 1x47 n GLY 94 Ca -0.05 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 43.98 1x47 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x47 s PRO 95 N 4.00 3.03 -0.13 1.61 0.04 -1.26 -4.94 135.00 137.34 1x47 s PRO 95 Ca 0.00 -0.43 0.02 0.00 0.04 0.00 0.00 61.00 60.63 1x47 s PRO 95 Cb 0.00 -4.92 0.01 0.00 0.04 0.00 0.00 34.50 29.63 1x47 s PRO 95 CO 0.00 -2.68 -0.20 -1.54 0.04 0.00 0.00 177.00 172.63 1x47 s SER 96 N 6.30 2.91 -0.24 6.66 1.04 -1.26 -5.10 113.70 124.01 1x47 s SER 96 Ca 0.56 -0.55 -0.10 0.00 0.48 0.00 0.00 55.95 56.34 1x47 s SER 96 Cb -0.05 -1.34 0.10 0.00 0.10 0.00 0.00 66.02 64.82 1x47 s SER 96 CO 0.02 0.05 0.54 -0.94 0.98 0.00 0.00 173.24 173.89 1x47 s SER 97 N 0.91 -0.70 0.00 7.02 1.04 -1.26 -5.25 113.70 115.46 1x47 s SER 97 Ca -0.06 1.25 0.17 0.00 0.48 0.00 0.00 55.95 57.79 1x47 s SER 97 Cb -0.15 1.58 0.13 0.00 0.10 0.00 0.00 66.02 67.68 1x47 s SER 97 CO -0.03 -0.22 1.03 0.61 0.98 0.00 0.00 173.24 175.61