#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 0.96 0.08 1.61 0.01 -1.26 -5.06 113.70 110.04 1x47 s SER 2 Ca 0.00 -0.27 -0.34 0.00 1.31 0.00 0.00 55.95 56.65 1x47 s SER 2 Cb 0.00 -0.07 -0.17 0.00 0.21 0.00 0.00 66.02 66.00 1x47 s SER 2 CO 0.00 0.01 1.59 -1.28 0.41 0.00 0.00 173.24 173.97 1x47 h SER 3 N 5.49 -1.12 0.00 2.44 0.87 -2.06 -3.46 113.55 115.71 1x47 h SER 3 Ca -0.32 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1x47 h SER 3 Cb 1.19 0.35 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 1x47 h SER 3 CO 0.47 -0.62 0.00 0.61 -0.53 0.00 0.00 176.83 176.76 1x47 n GLY 4 N -1.54 2.18 2.71 5.77 0.00 -1.26 -4.91 105.19 108.14 1x47 n GLY 4 Ca -0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 1x47 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x47 n SER 5 N 5.34 -3.03 -3.50 1.61 2.88 -1.26 -5.07 113.62 110.59 1x47 n SER 5 Ca 0.00 1.30 -0.09 0.00 -1.33 0.00 0.00 58.87 58.74 1x47 n SER 5 Cb 0.00 -4.75 -0.02 0.00 -0.75 0.00 0.00 64.21 58.69 1x47 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x47 s SER 6 N -0.82 -0.41 0.02 -3.46 1.04 -1.26 -5.14 113.70 103.67 1x47 s SER 6 Ca -0.19 -0.04 -0.27 0.00 0.48 0.00 0.00 55.95 55.93 1x47 s SER 6 Cb 0.01 0.46 0.09 0.00 0.10 0.00 0.00 66.02 66.68 1x47 s SER 6 CO 0.68 -0.76 0.76 -0.83 0.98 0.00 0.00 173.24 174.07 1x47 s GLY 7 N -2.60 -0.52 -0.30 7.32 0.00 -1.26 -4.40 107.32 105.56 1x47 s GLY 7 Ca 0.04 1.04 -0.11 0.00 0.00 0.00 0.00 44.72 45.69 1x47 s GLY 7 CO -0.09 0.51 0.75 1.85 0.00 0.00 0.00 173.10 176.12 1x47 s GLU 8 N -2.64 0.49 0.32 2.90 2.12 -1.26 -5.07 118.70 115.56 1x47 s GLU 8 Ca -0.01 1.23 0.00 0.00 0.36 0.00 0.00 54.97 56.55 1x47 s GLU 8 Cb -0.01 0.74 0.00 0.00 0.26 0.00 0.00 34.13 35.12 1x47 s GLU 8 CO -0.05 -0.18 0.00 1.19 -0.54 0.00 0.00 175.26 175.68 1x47 n PHE 9 N 5.31 -2.52 -3.64 5.30 3.01 -1.26 -5.00 117.46 118.66 1x47 n PHE 9 Ca -0.11 1.32 -0.08 0.00 1.01 0.00 0.00 57.45 59.59 1x47 n PHE 9 Cb 0.50 -2.29 -0.07 0.00 -0.01 0.00 0.00 39.48 37.61 1x47 n PHE 9 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1x47 s VAL 10 N -3.07 0.00 0.17 -4.37 0.11 -1.26 -5.16 120.40 106.81 1x47 s VAL 10 Ca 0.00 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.89 1x47 s VAL 10 Cb 0.00 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.78 1x47 s VAL 10 CO 0.00 0.00 0.60 -0.63 -3.33 0.00 0.00 175.10 171.74 1x47 s ILE 11 N 0.83 4.76 -0.34 7.04 1.09 -1.26 -5.06 121.20 128.26 1x47 s ILE 11 Ca -0.03 0.98 0.03 0.00 -1.10 0.00 0.00 60.65 60.53 1x47 s ILE 11 Cb -0.05 -3.78 0.10 0.00 -1.06 0.00 0.00 42.46 37.68 1x47 s ILE 11 CO -0.10 0.24 0.07 0.21 -0.10 0.00 0.00 174.94 175.26 1x47 s ASN 12 N -1.68 4.55 0.54 3.58 3.84 -1.26 -5.11 114.94 119.40 1x47 s ASN 12 Ca 0.39 -2.07 -0.18 0.00 0.21 0.00 0.00 52.86 51.22 1x47 s ASN 12 Cb -0.16 -1.42 -0.06 0.00 -0.55 0.00 0.00 41.25 39.06 1x47 s ASN 12 CO 0.20 -0.38 1.04 -2.16 -2.79 0.00 0.00 177.10 173.01 1x47 s PRO 13 N 1.03 3.57 0.04 0.43 0.04 -1.26 -4.98 135.00 133.86 1x47 s PRO 13 Ca 0.11 1.25 -0.27 0.00 0.04 0.00 0.00 61.00 62.13 1x47 s PRO 13 Cb -0.19 -2.07 -0.17 0.00 0.04 0.00 0.00 34.50 32.11 1x47 s PRO 13 CO -0.12 -0.61 1.44 -0.97 0.04 0.00 0.00 177.00 176.77 1x47 h ASN 14 N 0.93 -0.39 -0.27 6.66 -0.73 -2.07 -3.45 115.58 116.28 1x47 h ASN 14 Ca -0.48 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 57.59 1x47 h ASN 14 Cb 1.22 0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.91 1x47 h ASN 14 CO 0.58 -0.12 0.00 0.61 -0.37 0.00 0.00 177.43 178.13 1x47 n GLY 15 N -0.75 1.19 3.42 1.57 0.00 -1.26 -5.09 105.19 104.28 1x47 n GLY 15 Ca -0.10 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 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 1.87 3.19 0.52 1.61 0.00 -1.26 -5.05 119.74 120.62 1x47 s LYS 16 Ca 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 55.97 55.33 1x47 s LYS 16 Cb 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 37.83 35.22 1x47 s LYS 16 CO 0.00 0.34 0.10 -1.12 0.00 0.00 0.00 175.35 174.66 1x47 s SER 17 N 0.04 4.26 0.32 0.03 0.01 -1.26 -4.91 113.70 112.18 1x47 s SER 17 Ca -0.04 -1.56 0.05 0.00 1.31 0.00 0.00 55.95 55.71 1x47 s SER 17 Cb -0.14 0.52 0.69 0.00 0.21 0.00 0.00 66.02 67.29 1x47 s SER 17 CO 0.04 -0.92 1.84 -0.08 0.41 0.00 0.00 173.24 174.53 1x47 h GLU 18 N 1.20 0.82 -0.57 12.44 4.57 -1.98 1.25 114.58 132.31 1x47 h GLU 18 Ca -0.42 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 57.66 1x47 h GLU 18 Cb 1.31 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.69 1x47 h GLU 18 CO 0.70 0.54 0.14 -0.39 -1.18 0.00 0.00 179.01 178.82 1x47 h VAL 19 N 0.84 1.23 -0.00 0.32 -1.51 -1.87 0.16 116.25 115.42 1x47 h VAL 19 Ca 0.48 -0.82 -0.11 0.00 -1.23 0.00 0.00 66.70 65.02 1x47 h VAL 19 Cb 0.63 0.64 0.01 0.00 -2.13 0.00 0.00 31.29 30.44 1x47 h VAL 19 CO -0.25 0.31 -0.43 0.00 -1.23 0.00 0.00 177.57 175.97 1x47 h ILE 21 N -0.30 0.00 -0.99 0.00 2.04 0.17 0.28 117.51 118.70 1x47 h ILE 21 Ca -0.05 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.18 1x47 h ILE 21 Cb 1.16 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.07 1x47 h ILE 21 CO 0.08 0.00 0.44 0.25 0.00 0.00 0.00 178.15 178.92 1x47 h LEU 22 N -0.32 0.19 0.88 1.44 7.12 -0.82 0.48 115.31 124.28 1x47 h LEU 22 Ca -0.01 0.25 -0.04 0.00 0.13 0.00 0.00 57.88 58.21 1x47 h LEU 22 Cb 0.30 0.29 0.01 0.00 -0.53 0.00 0.00 40.66 40.73 1x47 h LEU 22 CO -0.06 -0.37 -0.42 -0.74 -0.13 0.00 0.00 178.44 176.71 1x47 h HIS 23 N 0.05 -1.10 0.00 1.25 2.76 -1.05 -0.88 115.15 116.19 1x47 h HIS 23 Ca 0.78 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.92 1x47 h HIS 23 Cb 1.95 0.36 0.00 0.00 1.55 0.00 0.00 27.41 31.27 1x47 h HIS 23 CO -0.11 -0.68 0.00 -1.91 -1.30 0.00 0.00 177.93 173.93 1x47 n GLU 24 N -5.57 0.00 -0.34 5.26 2.13 0.15 0.11 120.64 122.39 1x47 n GLU 24 Ca -0.15 0.76 0.11 0.00 0.66 0.00 0.00 57.16 58.54 1x47 n GLU 24 Cb 0.47 -1.42 0.22 0.00 0.27 0.00 0.00 31.44 30.99 1x47 n GLU 24 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 1x47 h TYR 25 N 0.00 -0.23 0.55 4.31 5.03 -1.23 1.04 116.97 126.43 1x47 h TYR 25 Ca 0.00 0.08 -0.02 0.00 2.58 0.00 0.00 58.73 61.37 1x47 h TYR 25 Cb 0.00 0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.53 1x47 h TYR 25 CO -0.48 -0.42 -0.44 0.52 -1.32 0.00 0.00 178.16 176.02 1x47 h MET 26 N 0.01 -0.93 0.00 1.82 2.86 -0.01 1.02 114.93 119.71 1x47 h MET 26 Ca 0.54 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 58.24 1x47 h MET 26 Cb 1.01 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1x47 h MET 26 CO -0.95 -0.62 0.00 0.94 1.06 0.00 0.00 176.91 177.35 1x47 n GLN 27 N -5.16 0.09 -0.09 1.72 -0.06 0.12 0.22 117.38 114.22 1x47 n GLN 27 Ca -0.12 0.24 -0.23 0.00 -2.00 0.00 0.00 57.00 54.90 1x47 n GLN 27 Cb 0.42 -1.50 -0.12 0.00 -4.06 0.00 0.00 30.24 24.99 1x47 n GLN 27 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 1x47 n ARG 28 N -1.36 0.60 -0.11 3.69 0.63 0.34 -3.40 116.66 117.06 1x47 n ARG 28 Ca 0.04 0.48 -0.20 0.00 -0.92 0.00 0.00 57.85 57.26 1x47 n ARG 28 Cb 0.09 -1.71 -0.08 0.00 0.45 0.00 0.00 32.46 31.21 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 -4.24 1.51 -0.03 5.15 0.24 0.34 -4.55 118.33 116.74 1x47 n VAL 29 Ca -0.35 -0.08 -0.14 0.00 -2.04 0.00 0.00 64.34 61.73 1x47 n VAL 29 Cb 0.77 -2.10 -0.09 0.00 -1.47 0.00 0.00 33.84 30.95 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 0.27 -1.19 1.34 3.38 0.26 -3.48 115.31 114.90 1x47 h LEU 30 Ca -0.35 -0.61 -0.03 0.00 0.09 0.00 0.00 57.88 56.98 1x47 h LEU 30 Cb 1.22 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.91 1x47 h LEU 30 CO -0.21 0.84 -0.05 1.17 0.09 0.00 0.00 178.44 180.27 1x47 n LYS 31 N -4.56 -0.58 -3.85 1.13 4.81 0.51 -4.91 118.16 110.71 1x47 n LYS 31 Ca -0.08 0.06 -0.12 0.00 -0.87 0.00 0.00 58.31 57.30 1x47 n LYS 31 Cb 0.42 -2.75 -0.11 0.00 0.02 0.00 0.00 35.03 32.61 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 -3.02 0.05 -0.32 3.15 -7.23 -1.25 -4.89 120.40 106.88 1x47 s VAL 32 Ca 0.04 -0.39 -0.25 0.00 -1.81 0.00 0.00 61.98 59.56 1x47 s VAL 32 Cb -0.02 -0.35 0.01 0.00 0.56 0.00 0.00 36.38 36.59 1x47 s VAL 32 CO 0.05 -0.22 0.88 -0.13 -0.31 0.00 0.00 175.10 175.38 1x47 s ARG 33 N -0.75 3.96 0.19 4.82 0.52 -1.26 -3.67 118.95 122.77 1x47 s ARG 33 Ca -0.08 0.70 -0.30 0.00 -0.52 0.00 0.00 55.73 55.53 1x47 s ARG 33 Cb -0.05 -3.74 -0.08 0.00 0.52 0.00 0.00 34.95 31.60 1x47 s ARG 33 CO 0.01 -0.78 1.11 -1.25 0.02 0.00 0.00 175.30 174.41 1x47 s PRO 34 N 3.21 4.58 -0.11 3.54 0.04 -1.26 -4.60 135.00 140.40 1x47 s PRO 34 Ca 0.37 1.75 -0.14 0.00 0.04 0.00 0.00 61.00 63.01 1x47 s PRO 34 Cb -0.13 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.10 1x47 s PRO 34 CO 0.14 0.07 0.34 0.08 0.04 0.00 0.00 177.00 177.67 1x47 s VAL 35 N -0.33 5.24 -0.40 -0.36 1.01 0.13 -4.93 120.40 120.77 1x47 s VAL 35 Ca 0.49 0.66 -0.16 0.00 0.00 0.00 0.00 61.98 62.97 1x47 s VAL 35 Cb -0.30 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.43 1x47 s VAL 35 CO 0.36 0.44 0.36 -0.31 0.00 0.00 0.00 175.10 175.95 1x47 s TYR 36 N 0.01 3.21 0.10 5.22 1.51 -1.26 0.15 117.35 126.29 1x47 s TYR 36 Ca 0.20 -0.39 -0.14 0.00 -1.01 0.00 0.00 57.07 55.73 1x47 s TYR 36 Cb -0.14 -2.72 -0.06 0.00 -0.11 0.00 0.00 41.96 38.92 1x47 s TYR 36 CO 0.07 -0.60 0.50 -0.80 -1.11 0.00 0.00 175.55 173.61 1x47 s ASN 37 N 1.75 6.82 -0.01 2.29 0.01 0.65 -4.68 114.94 121.76 1x47 s ASN 37 Ca 0.09 1.02 0.04 0.00 -0.71 0.00 0.00 52.86 53.30 1x47 s ASN 37 Cb -0.18 -2.27 -0.01 0.00 0.41 0.00 0.00 41.25 39.21 1x47 s ASN 37 CO 0.12 0.18 -0.12 -0.36 -1.51 0.00 0.00 177.10 175.40 1x47 s PHE 38 N -1.34 1.11 0.25 2.20 0.08 -1.26 0.17 117.98 119.18 1x47 s PHE 38 Ca 0.33 -0.23 -0.17 0.00 0.12 0.00 0.00 56.93 56.98 1x47 s PHE 38 Cb -0.16 -0.73 0.01 0.00 -0.57 0.00 0.00 43.02 41.57 1x47 s PHE 38 CO 0.18 -0.04 0.58 -0.59 -0.10 0.00 0.00 175.22 175.24 1x47 s PHE 39 N -0.17 0.03 0.66 0.36 -0.12 -0.77 -4.92 117.98 113.04 1x47 s PHE 39 Ca 0.03 -0.42 -0.10 0.00 -0.05 0.00 0.00 56.93 56.38 1x47 s PHE 39 Cb -0.06 0.43 0.00 0.00 -0.63 0.00 0.00 43.02 42.77 1x47 s PHE 39 CO -0.00 -1.06 1.03 -1.83 -0.05 0.00 0.00 175.22 173.30 1x47 s GLU 40 N -3.94 3.03 0.17 1.99 -1.05 -1.26 -2.58 118.70 115.05 1x47 s GLU 40 Ca 0.15 0.40 0.07 0.00 -0.15 0.00 0.00 54.97 55.43 1x47 s GLU 40 Cb -0.03 -2.10 -0.04 0.00 -0.44 0.00 0.00 34.13 31.52 1x47 s GLU 40 CO 0.05 -0.85 0.02 0.00 0.95 0.00 0.00 175.26 175.44 1x47 h GLU 42 N 2.64 0.43 -6.88 0.00 5.08 -1.94 -3.44 114.58 110.46 1x47 h GLU 42 Ca -0.47 -0.25 -0.48 0.00 -1.00 0.00 0.00 59.36 57.16 1x47 h GLU 42 Cb 1.20 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1x47 h GLU 42 CO 0.59 0.84 0.37 -0.80 -1.00 0.00 0.00 179.01 179.01 1x47 s ASN 43 N -6.29 7.24 0.31 1.42 -0.87 -1.26 -4.94 114.94 110.55 1x47 s ASN 43 Ca -0.14 1.93 0.26 0.00 -1.57 0.00 0.00 52.86 53.34 1x47 s ASN 43 Cb 0.06 -2.59 0.89 0.00 -0.02 0.00 0.00 41.25 39.59 1x47 s ASN 43 CO 0.78 -0.14 1.76 1.55 -2.57 0.00 0.00 177.10 178.48 1x47 h PRO 44 N 3.18 0.00 0.06 -0.60 0.13 -2.01 -3.31 132.00 129.44 1x47 h PRO 44 Ca -0.47 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1x47 h PRO 44 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1x47 h PRO 44 CO 0.65 0.00 -0.34 0.77 -0.23 0.00 0.00 178.00 178.84 1x47 h SER 45 N 0.00 -1.04 -3.94 1.44 0.02 -1.96 -3.35 113.55 104.71 1x47 h SER 45 Ca 0.00 0.11 -0.63 0.00 -0.84 0.00 0.00 61.79 60.43 1x47 h SER 45 Cb 0.61 0.39 -0.41 0.00 0.14 0.00 0.00 62.40 63.13 1x47 h SER 45 CO 0.00 -0.35 -0.68 -1.61 -1.14 0.00 0.00 176.83 173.04 1x47 s GLU 46 N -4.77 1.62 0.46 3.45 2.02 -1.25 -4.76 118.70 115.47 1x47 s GLU 46 Ca -0.10 -2.23 0.26 0.00 0.02 0.00 0.00 54.97 52.91 1x47 s GLU 46 Cb 0.04 -2.93 0.77 0.00 0.10 0.00 0.00 34.13 32.11 1x47 s GLU 46 CO 0.39 -1.09 1.76 -1.00 0.02 0.00 0.00 175.26 175.34 1x47 h PRO 47 N 6.83 0.00 -6.12 0.39 0.13 -1.71 -3.40 132.00 128.13 1x47 h PRO 47 Ca -0.06 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.49 1x47 h PRO 47 Cb 0.93 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.96 1x47 h PRO 47 CO 0.59 0.09 0.74 -0.06 -0.23 0.00 0.00 178.00 179.14 1x47 s PHE 48 N -3.42 2.68 0.05 1.56 0.40 -1.22 -2.99 117.98 115.04 1x47 s PHE 48 Ca 0.03 0.10 0.07 0.00 -0.60 0.00 0.00 56.93 56.53 1x47 s PHE 48 Cb 0.08 -4.28 -0.03 0.00 0.51 0.00 0.00 43.02 39.30 1x47 s PHE 48 CO 0.63 -1.50 -0.20 0.20 0.70 0.00 0.00 175.22 175.05 1x47 s GLY 49 N 3.00 1.09 0.04 4.36 0.00 -1.07 -0.48 107.32 114.27 1x47 s GLY 49 Ca 0.35 -1.05 -0.12 0.00 0.00 0.00 0.00 44.72 43.90 1x47 s GLY 49 CO 0.20 -0.98 0.26 0.00 0.00 0.00 0.00 173.10 172.59 1x47 s ALA 50 N -0.83 -0.57 0.18 3.20 0.00 -0.02 -1.85 121.76 121.87 1x47 s ALA 50 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1x47 s ALA 50 Cb -0.09 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1x47 s ALA 50 CO 0.02 -0.39 0.06 -1.54 0.00 0.00 0.00 175.76 173.91 1x47 s SER 51 N -2.05 0.70 -0.31 0.00 1.04 0.45 -1.40 113.70 112.13 1x47 s SER 51 Ca -0.05 -1.26 0.02 0.00 0.48 0.00 0.00 55.95 55.14 1x47 s SER 51 Cb -0.01 0.23 0.08 0.00 0.10 0.00 0.00 66.02 66.42 1x47 s SER 51 CO -0.03 -0.70 -0.00 -0.69 0.98 0.00 0.00 173.24 172.80 1x47 s VAL 52 N -3.90 2.47 -0.25 5.02 1.01 0.12 -0.25 120.40 124.62 1x47 s VAL 52 Ca 0.29 -1.90 -0.15 0.00 0.00 0.00 0.00 61.98 60.22 1x47 s VAL 52 Cb 0.07 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1x47 s VAL 52 CO 0.06 -0.32 0.38 0.42 0.00 0.00 0.00 175.10 175.64 1x47 s THR 53 N 1.06 5.18 -0.50 3.92 -4.23 0.39 -1.98 115.64 119.49 1x47 s THR 53 Ca 0.01 0.61 -0.16 0.00 -1.18 0.00 0.00 61.69 60.96 1x47 s THR 53 Cb -0.20 -3.70 0.08 0.00 1.34 0.00 0.00 72.50 70.02 1x47 s THR 53 CO -0.05 0.19 0.47 -0.63 -0.54 0.00 0.00 174.62 174.05 1x47 s ILE 54 N 1.83 5.16 -0.49 2.99 1.01 0.51 0.22 121.20 132.42 1x47 s ILE 54 Ca 0.16 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.75 1x47 s ILE 54 Cb -0.15 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.10 1x47 s ILE 54 CO 0.09 -0.70 0.00 -0.67 0.00 0.00 0.00 174.94 173.66 1x47 n ASP 55 N 5.42 -5.27 0.00 3.58 2.03 -1.26 -1.22 116.55 119.82 1x47 n ASP 55 Ca -0.12 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1x47 n ASP 55 Cb 0.43 -3.18 0.00 0.00 -0.72 0.00 0.00 41.12 37.65 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 -0.14 1.35 3.72 0.27 0.00 -1.26 -5.08 105.19 104.05 1x47 n GLY 56 Ca -0.05 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.79 3.48 0.28 1.61 1.01 -0.36 -4.88 120.40 120.74 1x47 s VAL 57 Ca 0.00 1.11 -0.23 0.00 0.00 0.00 0.00 61.98 62.86 1x47 s VAL 57 Cb 0.00 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 1x47 s VAL 57 CO 0.00 0.11 0.84 -0.89 0.00 0.00 0.00 175.10 175.17 1x47 s THR 58 N 0.76 4.38 0.00 3.92 2.01 -1.26 0.19 115.64 125.64 1x47 s THR 58 Ca 0.60 1.57 0.00 0.00 0.31 0.00 0.00 61.69 64.18 1x47 s THR 58 Cb -0.35 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.23 1x47 s THR 58 CO 0.32 0.17 0.00 -1.22 -0.69 0.00 0.00 174.62 173.20 1x47 n TYR 59 N 0.62 0.00 -3.11 4.92 4.02 -0.84 -4.90 117.16 117.88 1x47 n TYR 59 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 1x47 n TYR 59 Cb 0.51 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.76 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 -1.44 1.78 -0.04 2.72 0.00 -1.25 -4.79 107.32 104.29 1x47 s GLY 60 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.11 1x47 s GLY 60 CO 0.00 1.47 -0.01 -1.35 0.00 0.00 0.00 173.10 173.21 1x47 s SER 61 N 1.62 0.88 0.34 1.64 1.04 -1.26 0.14 113.70 118.09 1x47 s SER 61 Ca 0.26 -0.06 -0.17 0.00 0.48 0.00 0.00 55.95 56.45 1x47 s SER 61 Cb -0.15 -0.33 0.04 0.00 0.10 0.00 0.00 66.02 65.68 1x47 s SER 61 CO 0.11 -0.12 0.74 -0.83 0.98 0.00 0.00 173.24 174.12 1x47 s GLY 62 N 1.28 0.23 0.33 7.32 0.00 -0.49 -4.88 107.32 111.11 1x47 s GLY 62 Ca -0.06 -0.61 0.04 0.00 0.00 0.00 0.00 44.72 44.09 1x47 s GLY 62 CO -0.02 -0.26 0.16 -0.51 0.00 0.00 0.00 173.10 172.46 1x47 s THR 63 N -3.06 0.42 0.15 0.90 -4.23 -1.26 -0.84 115.64 107.72 1x47 s THR 63 Ca 0.15 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.51 1x47 s THR 63 Cb -0.05 -2.49 0.05 0.00 1.34 0.00 0.00 72.50 71.35 1x47 s THR 63 CO 0.10 0.00 0.72 0.00 -0.54 0.00 0.00 174.62 174.90 1x47 n ALA 64 N -0.66 -1.85 0.18 3.99 0.00 0.37 -4.59 120.51 117.95 1x47 n ALA 64 Ca -0.00 -0.75 0.03 0.00 0.00 0.00 0.00 53.44 52.71 1x47 n ALA 64 Cb 0.65 0.44 0.32 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 1.41 0.00 -5.10 0.00 0.87 -1.86 -3.23 113.55 105.65 1x47 h SER 65 Ca -0.20 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.74 1x47 h SER 65 Cb 0.86 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.71 1x47 h SER 65 CO 0.27 0.44 -0.43 -0.24 -0.53 0.00 0.00 176.83 176.33 1x47 n SER 66 N -3.84 3.24 -0.07 6.23 2.88 -1.26 -4.74 113.62 116.05 1x47 n SER 66 Ca -0.01 -3.09 -0.12 0.00 -1.33 0.00 0.00 58.87 54.32 1x47 n SER 66 Cb 0.49 0.27 -0.10 0.00 -0.75 0.00 0.00 64.21 64.12 1x47 n SER 66 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1x47 h LYS 67 N 0.00 0.00 -0.57 -1.46 3.64 -1.88 -3.26 116.57 113.04 1x47 h LYS 67 Ca -0.39 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.05 1x47 h LYS 67 Cb 1.23 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.95 1x47 h LYS 67 CO 0.65 0.76 -0.53 -0.22 -2.27 0.00 0.00 179.45 177.84 1x47 h LYS 68 N -1.00 -0.27 -0.80 1.90 3.64 -1.97 0.99 116.57 119.06 1x47 h LYS 68 Ca -0.06 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.44 1x47 h LYS 68 Cb 0.84 0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.60 1x47 h LYS 68 CO -0.04 -0.18 -0.48 -0.07 -2.27 0.00 0.00 179.45 176.42 1x47 h LEU 69 N -0.28 -1.71 -0.33 5.20 -0.00 -1.98 1.39 115.31 117.61 1x47 h LEU 69 Ca 0.12 0.29 0.07 0.00 -0.00 0.00 0.00 57.88 58.36 1x47 h LEU 69 Cb 0.56 0.79 -0.08 0.00 -0.00 0.00 0.00 40.66 41.92 1x47 h LEU 69 CO -0.69 -0.30 -0.40 0.00 -0.00 0.00 0.00 178.44 177.06 1x47 h ALA 70 N 0.74 -0.40 -0.40 1.53 0.00 -0.95 1.20 119.26 120.98 1x47 h ALA 70 Ca 0.21 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.23 1x47 h ALA 70 Cb 0.53 0.81 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 1x47 h ALA 70 CO -0.84 -0.84 0.09 -0.22 0.00 0.00 0.00 179.25 177.44 1x47 h LYS 71 N -0.35 0.22 -0.35 0.00 3.64 0.15 1.21 116.57 121.09 1x47 h LYS 71 Ca 0.13 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 1x47 h LYS 71 Cb 0.58 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 1x47 h LYS 71 CO -0.52 0.15 0.07 -0.91 -2.27 0.00 0.00 179.45 175.97 1x47 h ASN 72 N 0.23 0.01 -0.18 4.20 2.35 0.38 0.19 115.58 122.76 1x47 h ASN 72 Ca 0.19 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 1x47 h ASN 72 Cb 0.22 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1x47 h ASN 72 CO -0.24 0.04 0.06 0.11 -1.65 0.00 0.00 177.43 175.75 1x47 h LYS 73 N 0.19 0.28 -0.68 0.81 1.57 0.24 1.46 116.57 120.44 1x47 h LYS 73 Ca 0.17 -0.06 0.14 0.00 -1.87 0.00 0.00 60.65 59.03 1x47 h LYS 73 Cb 0.19 -0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.36 1x47 h LYS 73 CO -0.22 0.39 0.15 0.00 -0.57 0.00 0.00 179.45 179.19 1x47 h ALA 74 N 0.88 0.83 0.18 3.86 0.00 0.22 0.48 119.26 125.71 1x47 h ALA 74 Ca 0.06 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1x47 h ALA 74 Cb 0.22 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1x47 h ALA 74 CO -0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 179.25 178.84 1x47 h ALA 75 N 1.55 -0.24 -0.99 0.00 0.00 -0.32 -2.59 119.26 116.66 1x47 h ALA 75 Ca 0.37 -0.17 0.27 0.00 0.00 0.00 0.00 54.91 55.37 1x47 h ALA 75 Cb 0.59 0.09 -0.19 0.00 0.00 0.00 0.00 17.79 18.29 1x47 h ALA 75 CO -0.46 -0.27 0.00 -0.09 0.00 0.00 0.00 179.25 178.43 1x47 h ARG 76 N -0.98 0.00 0.83 0.00 2.43 0.25 0.24 114.38 117.16 1x47 h ARG 76 Ca -0.02 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1x47 h ARG 76 Cb 0.43 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1x47 h ARG 76 CO 0.04 0.00 -0.40 0.00 -1.51 0.00 0.00 179.97 178.10 1x47 h ALA 77 N 1.99 -1.19 -1.29 2.80 0.00 -0.12 -1.87 119.26 119.59 1x47 h ALA 77 Ca 0.59 -0.25 0.43 0.00 0.00 0.00 0.00 54.91 55.69 1x47 h ALA 77 Cb 1.20 0.43 -0.13 0.00 0.00 0.00 0.00 17.79 19.29 1x47 h ALA 77 CO -0.94 -1.11 0.82 1.15 0.00 0.00 0.00 179.25 179.17 1x47 h THR 78 N -1.23 0.11 0.25 0.00 2.02 -0.25 0.13 112.91 113.94 1x47 h THR 78 Ca -0.11 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1x47 h THR 78 Cb 0.86 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1x47 h THR 78 CO 0.19 0.02 -0.12 -0.07 0.37 0.00 0.00 175.52 175.90 1x47 h LEU 79 N 0.08 -0.28 -1.72 2.58 3.38 -0.35 -2.40 115.31 116.59 1x47 h LEU 79 Ca 0.82 0.01 0.43 0.00 0.09 0.00 0.00 57.88 59.24 1x47 h LEU 79 Cb 2.53 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 43.26 1x47 h LEU 79 CO -0.46 -0.16 0.99 -0.33 0.09 0.00 0.00 178.44 178.58 1x47 h GLU 80 N -0.43 0.07 0.03 1.13 4.39 -0.09 1.75 114.58 121.43 1x47 h GLU 80 Ca -0.03 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1x47 h GLU 80 Cb 0.26 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1x47 h GLU 80 CO 0.06 0.05 -0.01 0.82 -1.16 0.00 0.00 179.01 178.76 1x47 h ILE 81 N 0.07 1.06 0.03 3.13 2.04 -0.69 -3.08 117.51 120.08 1x47 h ILE 81 Ca 0.76 -0.27 -0.28 0.00 1.00 0.00 0.00 64.86 66.08 1x47 h ILE 81 Cb 2.72 1.24 0.02 0.00 -0.74 0.00 0.00 36.82 40.06 1x47 h ILE 81 CO -0.18 0.07 -1.10 -0.07 0.00 0.00 0.00 178.15 176.87 1x47 h LEU 82 N -0.15 0.90 -8.36 1.44 3.38 0.14 -3.41 115.31 109.26 1x47 h LEU 82 Ca -0.00 -0.75 -0.72 0.00 0.09 0.00 0.00 57.88 56.49 1x47 h LEU 82 Cb 0.14 -0.28 -0.23 0.00 0.09 0.00 0.00 40.66 40.38 1x47 h LEU 82 CO 0.01 1.55 -0.43 -0.63 0.09 0.00 0.00 178.44 179.03 1x47 s ILE 83 N -3.23 4.95 -1.04 1.22 1.01 0.51 -4.91 121.20 119.71 1x47 s ILE 83 Ca -0.10 -0.92 0.22 0.00 0.00 0.00 0.00 60.65 59.85 1x47 s ILE 83 Cb 0.07 -3.85 0.20 0.00 0.01 0.00 0.00 42.46 38.89 1x47 s ILE 83 CO 0.93 -0.39 1.70 -0.81 0.00 0.00 0.00 174.94 176.36 1x47 n PRO 84 N 5.10 0.03 0.00 2.79 -0.04 -1.23 -4.00 135.00 137.65 1x47 n PRO 84 Ca -0.11 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1x47 n PRO 84 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1x47 n PRO 84 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x47 n ASP 85 N -1.48 0.00 0.00 3.54 9.92 -1.26 -4.97 116.55 122.30 1x47 n ASP 85 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 1x47 n ASP 85 Cb 0.25 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 1x47 n ASP 85 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1x47 n PHE 86 N -1.55 0.00 -4.26 1.24 -0.00 -1.26 -4.69 117.46 106.93 1x47 n PHE 86 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.14 1x47 n PHE 86 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 39.48 39.39 1x47 n PHE 86 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1x47 s VAL 87 N 0.00 3.79 -0.01 -2.13 1.01 -1.26 -5.06 120.40 116.75 1x47 s VAL 87 Ca 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 1x47 s VAL 87 Cb 0.00 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 1x47 s VAL 87 CO 0.00 0.23 0.46 0.50 0.00 0.00 0.00 175.10 176.29 1x47 h LYS 88 N 3.89 -0.13 -6.24 2.72 3.11 -2.02 -3.49 116.57 114.41 1x47 h LYS 88 Ca -0.48 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.35 1x47 h LYS 88 Cb 1.17 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 1x47 h LYS 88 CO 0.56 -0.09 -1.01 1.04 -2.81 0.00 0.00 179.45 177.15 1x47 n GLN 89 N -2.78 -0.70 -2.18 1.90 1.13 -1.26 -4.70 117.38 108.79 1x47 n GLN 89 Ca -0.02 1.03 -0.35 0.00 -1.94 0.00 0.00 57.00 55.72 1x47 n GLN 89 Cb 0.05 -1.54 -0.04 0.00 0.11 0.00 0.00 30.24 28.83 1x47 n GLN 89 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1x47 s THR 90 N -1.10 3.52 0.00 5.09 2.01 -1.26 -4.81 115.64 119.08 1x47 s THR 90 Ca 0.02 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.88 1x47 s THR 90 Cb -0.00 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.26 1x47 s THR 90 CO 0.13 -1.19 0.00 -1.20 -0.69 0.00 0.00 174.62 171.67 1x47 n SER 91 N 12.26 0.00 -2.52 3.53 7.64 -1.26 -5.03 113.62 128.24 1x47 n SER 91 Ca 0.28 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.85 1x47 n SER 91 Cb 0.50 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.72 1x47 n SER 91 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1x47 n GLU 92 N -0.34 3.18 -2.90 1.43 0.00 -1.26 -4.94 120.64 115.81 1x47 n GLU 92 Ca 0.00 -4.04 -0.09 0.00 0.00 0.00 0.00 57.16 53.03 1x47 n GLU 92 Cb 0.00 -2.26 0.01 0.00 0.00 0.00 0.00 31.44 29.19 1x47 n GLU 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1x47 n SER 93 N -0.58 -7.68 -0.33 -1.84 2.88 -1.26 -4.35 113.62 100.46 1x47 n SER 93 Ca 0.47 0.67 0.01 0.00 -1.33 0.00 0.00 58.87 58.68 1x47 n SER 93 Cb 0.58 -4.85 -0.00 0.00 -0.75 0.00 0.00 64.21 59.19 1x47 n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x47 n GLY 94 N 0.01 -0.32 2.71 0.46 0.00 -1.26 -3.15 105.19 103.63 1x47 n GLY 94 Ca 0.07 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.74 2.45 -0.09 1.61 -0.04 -1.26 -4.38 135.00 132.55 1x47 n PRO 95 Ca 0.00 -1.99 -0.09 0.00 -0.04 0.00 0.00 63.50 61.38 1x47 n PRO 95 Cb 0.02 -2.85 -0.03 0.00 -0.04 0.00 0.00 33.50 30.60 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 5.41 1.88 -0.08 3.54 2.88 -1.19 -4.81 113.62 121.26 1x47 n SER 96 Ca 0.55 0.48 -0.07 0.00 -1.33 0.00 0.00 58.87 58.49 1x47 n SER 96 Cb 0.29 -0.82 -0.03 0.00 -0.75 0.00 0.00 64.21 62.90 1x47 n SER 96 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x47 n SER 97 N -4.51 1.82 -0.66 -3.46 7.64 -1.26 -5.17 113.62 108.01 1x47 n SER 97 Ca -0.15 0.60 0.13 0.00 1.01 0.00 0.00 58.87 60.46 1x47 n SER 97 Cb 0.44 -0.88 0.37 0.00 -1.01 0.00 0.00 64.21 63.12 1x47 n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64