#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 4.41 -0.05 1.61 0.15 -1.26 -5.09 113.70 113.47 1x47 s SER 2 Ca 0.00 -0.29 -0.03 0.00 0.70 0.00 0.00 55.95 56.34 1x47 s SER 2 Cb 0.00 -1.73 0.02 0.00 -1.71 0.00 0.00 66.02 62.61 1x47 s SER 2 CO 0.00 0.09 0.11 -0.44 1.20 0.00 0.00 173.24 174.19 1x47 s SER 3 N 0.85 -0.08 -0.49 5.45 0.01 -1.26 -5.09 113.70 113.09 1x47 s SER 3 Ca -0.02 0.22 -0.29 0.00 1.31 0.00 0.00 55.95 57.17 1x47 s SER 3 Cb -0.15 0.16 -0.10 0.00 0.21 0.00 0.00 66.02 66.14 1x47 s SER 3 CO 0.01 -0.09 2.38 0.61 0.41 0.00 0.00 173.24 176.56 1x47 n GLY 4 N 3.62 0.29 3.46 3.44 0.00 -1.26 -4.86 105.19 109.89 1x47 n GLY 4 Ca -0.20 0.82 -0.11 0.00 0.00 0.00 0.00 46.02 46.53 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 9.96 -0.54 0.48 1.61 0.01 -1.26 -5.14 113.70 118.82 1x47 s SER 5 Ca 1.07 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 58.28 1x47 s SER 5 Cb -0.53 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1x47 s SER 5 CO 0.36 -1.00 0.00 -0.24 0.41 0.00 0.00 173.24 172.78 1x47 n SER 6 N -0.38 -7.45 0.00 2.44 2.88 -1.26 -5.08 113.62 104.76 1x47 n SER 6 Ca -0.16 1.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1x47 n SER 6 Cb 0.64 -4.13 0.00 0.00 -0.75 0.00 0.00 64.21 59.98 1x47 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x47 n GLY 7 N -1.60 2.48 3.61 0.46 0.00 -1.26 -5.19 105.19 103.69 1x47 n GLY 7 Ca 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.89 0.25 0.01 1.61 2.12 -1.26 -5.13 118.70 115.41 1x47 s GLU 8 Ca 0.00 -0.12 -0.30 0.00 0.36 0.00 0.00 54.97 54.91 1x47 s GLU 8 Cb 0.00 0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.44 1x47 s GLU 8 CO 0.00 -0.11 1.27 -0.59 -0.54 0.00 0.00 175.26 175.29 1x47 s PHE 9 N -2.31 3.17 -0.18 5.30 -0.12 -1.26 -5.01 117.98 117.57 1x47 s PHE 9 Ca 0.12 1.11 -0.05 0.00 -0.05 0.00 0.00 56.93 58.06 1x47 s PHE 9 Cb 0.02 -3.51 -0.03 0.00 -0.63 0.00 0.00 43.02 38.87 1x47 s PHE 9 CO -0.04 -1.71 -0.01 0.14 -0.05 0.00 0.00 175.22 173.55 1x47 s VAL 10 N 1.85 4.01 -0.05 -2.49 -7.23 -1.26 -5.02 120.40 110.22 1x47 s VAL 10 Ca 0.60 -0.30 -0.02 0.00 -1.81 0.00 0.00 61.98 60.45 1x47 s VAL 10 Cb -0.29 -2.79 -0.01 0.00 0.56 0.00 0.00 36.38 33.85 1x47 s VAL 10 CO 0.26 0.46 -0.03 0.40 -0.31 0.00 0.00 175.10 175.88 1x47 h ILE 11 N 5.23 0.00 -4.13 -0.62 5.03 -2.08 -3.51 117.51 117.43 1x47 h ILE 11 Ca -0.34 -0.41 0.00 0.00 -0.12 0.00 0.00 64.86 63.99 1x47 h ILE 11 Cb 1.18 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.97 1x47 h ILE 11 CO 0.63 0.00 -0.83 -3.20 -0.68 0.00 0.00 178.15 174.07 1x47 n ASN 12 N -3.17 -8.26 -4.82 1.72 2.85 -1.26 -4.97 115.26 97.36 1x47 n ASN 12 Ca -0.01 1.43 -0.31 0.00 -0.11 0.00 0.00 54.58 55.57 1x47 n ASN 12 Cb 0.05 -4.54 0.04 0.00 1.24 0.00 0.00 39.78 36.56 1x47 n ASN 12 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1x47 s PRO 13 N -0.89 3.06 -0.13 1.20 0.04 -1.26 -4.92 135.00 132.09 1x47 s PRO 13 Ca 0.00 1.02 -0.38 0.00 0.04 0.00 0.00 61.00 61.68 1x47 s PRO 13 Cb 0.00 -2.00 -0.15 0.00 0.04 0.00 0.00 34.50 32.39 1x47 s PRO 13 CO 0.00 -1.01 1.69 0.09 0.04 0.00 0.00 177.00 177.81 1x47 n ASN 14 N -2.82 2.55 0.00 6.66 3.02 -1.26 -4.65 115.26 118.76 1x47 n ASN 14 Ca 0.08 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.69 1x47 n ASN 14 Cb 0.53 -1.22 0.00 0.00 -0.61 0.00 0.00 39.78 38.48 1x47 n ASN 14 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x47 n GLY 15 N 3.87 3.11 3.74 7.41 0.00 -1.26 -5.05 105.19 117.02 1x47 n GLY 15 Ca 0.23 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 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 -5.29 4.48 0.53 1.61 -2.85 -1.26 -5.03 119.74 111.93 1x47 s LYS 16 Ca 0.00 1.90 0.06 0.00 -1.00 0.00 0.00 55.97 56.94 1x47 s LYS 16 Cb 0.00 -3.23 0.04 0.00 -2.06 0.00 0.00 37.83 32.58 1x47 s LYS 16 CO 0.00 -0.10 0.43 -1.12 0.10 0.00 0.00 175.35 174.66 1x47 s SER 17 N 0.11 4.71 0.24 0.03 0.01 -1.26 -4.84 113.70 112.70 1x47 s SER 17 Ca 0.53 -1.15 -0.05 0.00 1.31 0.00 0.00 55.95 56.59 1x47 s SER 17 Cb -0.33 0.29 0.41 0.00 0.21 0.00 0.00 66.02 66.59 1x47 s SER 17 CO 0.37 -1.07 1.76 -0.08 0.41 0.00 0.00 173.24 174.63 1x47 h GLU 18 N 0.74 0.52 -0.75 12.44 4.57 -1.96 1.35 114.58 131.50 1x47 h GLU 18 Ca -0.37 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 57.81 1x47 h GLU 18 Cb 1.30 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.72 1x47 h GLU 18 CO 0.56 0.35 0.48 -0.39 -1.18 0.00 0.00 179.01 178.82 1x47 h VAL 19 N 0.54 1.12 0.47 0.32 -1.51 -1.86 0.21 116.25 115.54 1x47 h VAL 19 Ca 0.39 -0.32 -0.02 0.00 -1.23 0.00 0.00 66.70 65.52 1x47 h VAL 19 Cb 0.51 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 29.77 1x47 h VAL 19 CO -0.34 0.17 -0.23 0.00 -1.23 0.00 0.00 177.57 175.95 1x47 h ILE 21 N -1.16 0.00 -0.86 0.00 2.04 0.18 0.57 117.51 118.29 1x47 h ILE 21 Ca -0.06 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.94 1x47 h ILE 21 Cb 0.49 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.43 1x47 h ILE 21 CO 0.11 0.00 -0.34 0.25 0.00 0.00 0.00 178.15 178.16 1x47 h LEU 22 N -0.03 -1.25 -0.39 1.44 7.12 -0.66 0.67 115.31 122.21 1x47 h LEU 22 Ca 0.14 0.28 0.07 0.00 0.13 0.00 0.00 57.88 58.50 1x47 h LEU 22 Cb 0.38 0.67 -0.07 0.00 -0.53 0.00 0.00 40.66 41.11 1x47 h LEU 22 CO -0.81 -0.29 -0.03 -0.74 -0.13 0.00 0.00 178.44 176.44 1x47 h HIS 23 N -0.05 -0.08 0.00 1.25 2.76 0.25 0.24 115.15 119.53 1x47 h HIS 23 Ca 0.33 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.53 1x47 h HIS 23 Cb 0.59 0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.65 1x47 h HIS 23 CO -0.77 -0.11 0.00 -1.91 -1.30 0.00 0.00 177.93 173.84 1x47 n GLU 24 N -5.23 0.00 -0.33 5.26 0.00 0.22 0.19 120.64 120.75 1x47 n GLU 24 Ca 0.02 0.74 0.19 0.00 0.00 0.00 0.00 57.16 58.11 1x47 n GLU 24 Cb 0.21 -1.43 0.43 0.00 0.00 0.00 0.00 31.44 30.64 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 0.85 0.68 4.31 5.03 -1.06 1.47 116.97 128.24 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 -0.25 0.01 0.00 1.55 0.00 0.00 36.73 38.04 1x47 h TYR 25 CO -0.41 0.11 -0.33 0.52 -1.32 0.00 0.00 178.16 176.73 1x47 h MET 26 N 0.54 -0.88 0.00 1.82 2.86 0.69 1.47 114.93 121.43 1x47 h MET 26 Ca 0.59 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 58.29 1x47 h MET 26 Cb 1.25 0.20 0.00 0.00 0.06 0.00 0.00 31.60 33.11 1x47 h MET 26 CO -0.36 -0.55 0.00 0.94 1.06 0.00 0.00 176.91 178.00 1x47 n GLN 27 N -5.42 0.18 -0.08 1.72 7.27 0.50 0.19 117.38 121.75 1x47 n GLN 27 Ca -0.13 0.12 -0.20 0.00 0.07 0.00 0.00 57.00 56.87 1x47 n GLN 27 Cb 0.38 -1.50 -0.13 0.00 2.41 0.00 0.00 30.24 31.40 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 -1.36 0.69 -0.05 3.69 0.63 0.49 -3.71 116.66 117.04 1x47 n ARG 28 Ca 0.08 0.20 -0.05 0.00 -0.92 0.00 0.00 57.85 57.16 1x47 n ARG 28 Cb 0.18 -1.60 -0.02 0.00 0.45 0.00 0.00 32.46 31.48 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 -3.39 0.91 -0.27 5.15 0.31 0.50 -4.57 118.33 116.97 1x47 n VAL 29 Ca -0.41 0.29 -0.07 0.00 -0.01 0.00 0.00 64.34 64.15 1x47 n VAL 29 Cb 1.00 -2.03 0.06 0.00 -0.91 0.00 0.00 33.84 31.96 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 -0.61 1.09 -1.90 7.52 3.38 0.25 -3.47 115.31 121.56 1x47 h LEU 30 Ca 0.00 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.59 1x47 h LEU 30 Cb 0.55 -0.29 0.09 0.00 0.09 0.00 0.00 40.66 41.10 1x47 h LEU 30 CO 0.00 1.02 -0.39 1.17 0.09 0.00 0.00 178.44 180.33 1x47 n LYS 31 N -4.24 -3.13 -3.71 1.13 4.81 0.50 -4.94 118.16 108.57 1x47 n LYS 31 Ca 0.06 0.42 -0.14 0.00 -0.87 0.00 0.00 58.31 57.78 1x47 n LYS 31 Cb 0.24 -4.14 -0.08 0.00 0.02 0.00 0.00 35.03 31.07 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 -3.18 0.04 -0.38 3.15 -7.23 -1.24 -4.93 120.40 106.62 1x47 s VAL 32 Ca 0.02 -0.30 -0.25 0.00 -1.81 0.00 0.00 61.98 59.63 1x47 s VAL 32 Cb -0.00 -0.68 0.02 0.00 0.56 0.00 0.00 36.38 36.28 1x47 s VAL 32 CO 0.36 -0.17 0.89 -0.13 -0.31 0.00 0.00 175.10 175.75 1x47 s ARG 33 N -1.01 3.78 0.56 4.82 0.52 -1.26 -3.86 118.95 122.50 1x47 s ARG 33 Ca -0.11 0.47 -0.17 0.00 -0.52 0.00 0.00 55.73 55.40 1x47 s ARG 33 Cb -0.04 -3.82 -0.05 0.00 0.52 0.00 0.00 34.95 31.56 1x47 s ARG 33 CO 0.05 -0.96 1.05 -1.25 0.02 0.00 0.00 175.30 174.20 1x47 s PRO 34 N 3.42 3.50 -0.12 3.54 0.04 -1.26 -4.59 135.00 139.53 1x47 s PRO 34 Ca 0.36 1.22 0.01 0.00 0.04 0.00 0.00 61.00 62.63 1x47 s PRO 34 Cb -0.12 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1x47 s PRO 34 CO 0.19 -0.66 -0.13 0.08 0.04 0.00 0.00 177.00 176.52 1x47 s VAL 35 N -2.34 3.04 -0.44 -0.36 1.01 0.53 -4.98 120.40 116.85 1x47 s VAL 35 Ca 0.64 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.76 1x47 s VAL 35 Cb -0.16 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 34.00 1x47 s VAL 35 CO 0.32 0.54 0.51 -0.31 0.00 0.00 0.00 175.10 176.16 1x47 s TYR 36 N 0.17 3.13 0.07 5.22 1.51 -1.26 0.74 117.35 126.93 1x47 s TYR 36 Ca -0.08 -0.38 -0.13 0.00 -1.01 0.00 0.00 57.07 55.48 1x47 s TYR 36 Cb -0.15 -3.13 -0.06 0.00 -0.11 0.00 0.00 41.96 38.51 1x47 s TYR 36 CO 0.05 -0.81 0.45 -0.80 -1.11 0.00 0.00 175.55 173.33 1x47 s ASN 37 N 2.07 6.75 0.01 2.29 0.02 0.59 -4.69 114.94 121.98 1x47 s ASN 37 Ca 0.14 0.93 0.04 0.00 -1.02 0.00 0.00 52.86 52.96 1x47 s ASN 37 Cb -0.17 -2.23 -0.02 0.00 0.02 0.00 0.00 41.25 38.85 1x47 s ASN 37 CO 0.14 0.20 -0.14 -0.36 0.02 0.00 0.00 177.10 176.97 1x47 s PHE 38 N -1.31 1.21 0.28 2.20 0.40 -1.26 0.16 117.98 119.65 1x47 s PHE 38 Ca 0.31 -0.29 -0.14 0.00 -0.60 0.00 0.00 56.93 56.22 1x47 s PHE 38 Cb -0.15 -0.75 0.01 0.00 0.51 0.00 0.00 43.02 42.64 1x47 s PHE 38 CO 0.17 0.01 0.56 -0.59 0.70 0.00 0.00 175.22 176.07 1x47 s PHE 39 N -0.58 0.28 0.64 0.36 -0.12 -0.76 -4.99 117.98 112.81 1x47 s PHE 39 Ca 0.03 -0.68 -0.10 0.00 -0.05 0.00 0.00 56.93 56.13 1x47 s PHE 39 Cb -0.06 0.34 -0.01 0.00 -0.63 0.00 0.00 43.02 42.66 1x47 s PHE 39 CO 0.00 -1.12 1.02 -1.83 -0.05 0.00 0.00 175.22 173.24 1x47 s GLU 40 N -3.75 3.14 -0.10 1.99 -1.05 -1.26 -2.79 118.70 114.88 1x47 s GLU 40 Ca 0.20 0.44 0.01 0.00 -0.15 0.00 0.00 54.97 55.47 1x47 s GLU 40 Cb -0.02 -2.11 -0.02 0.00 -0.44 0.00 0.00 34.13 31.53 1x47 s GLU 40 CO 0.10 -0.77 -0.13 0.00 0.95 0.00 0.00 175.26 175.41 1x47 h GLU 42 N 6.19 0.06 -6.26 0.00 5.08 -1.94 -3.41 114.58 114.29 1x47 h GLU 42 Ca -0.34 -0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.45 1x47 h GLU 42 Cb 1.19 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1x47 h GLU 42 CO 0.54 0.04 -0.04 -0.80 -1.00 0.00 0.00 179.01 177.75 1x47 s ASN 43 N -6.72 7.01 0.31 1.42 0.01 -1.26 -4.97 114.94 110.74 1x47 s ASN 43 Ca -0.05 1.23 0.15 0.00 -0.71 0.00 0.00 52.86 53.48 1x47 s ASN 43 Cb 0.18 -2.35 0.39 0.00 0.41 0.00 0.00 41.25 39.89 1x47 s ASN 43 CO 0.70 0.23 1.60 1.55 -1.51 0.00 0.00 177.10 179.67 1x47 h PRO 44 N 4.28 0.00 -0.60 -0.60 0.13 -2.01 -3.31 132.00 129.90 1x47 h PRO 44 Ca -0.49 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.70 1x47 h PRO 44 Cb 1.21 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 1x47 h PRO 44 CO 0.64 0.51 -0.55 0.77 -0.23 0.00 0.00 178.00 179.13 1x47 h SER 45 N 0.00 -1.92 -3.55 1.44 0.02 -1.94 -3.31 113.55 104.30 1x47 h SER 45 Ca -0.01 0.27 -0.61 0.00 -0.84 0.00 0.00 61.79 60.60 1x47 h SER 45 Cb 1.14 0.81 -0.40 0.00 0.14 0.00 0.00 62.40 64.09 1x47 h SER 45 CO 0.07 -0.35 -0.73 -1.61 -1.14 0.00 0.00 176.83 173.07 1x47 s GLU 46 N -5.63 1.27 0.49 3.45 8.01 -1.24 -4.77 118.70 120.28 1x47 s GLU 46 Ca -0.14 -1.91 0.28 0.00 0.01 0.00 0.00 54.97 53.21 1x47 s GLU 46 Cb 0.10 -2.43 0.85 0.00 -4.31 0.00 0.00 34.13 28.34 1x47 s GLU 46 CO 0.62 -1.11 1.79 -1.00 0.01 0.00 0.00 175.26 175.57 1x47 h PRO 47 N 6.98 0.00 -6.23 0.39 0.13 -1.67 -3.40 132.00 128.20 1x47 h PRO 47 Ca -0.04 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.50 1x47 h PRO 47 Cb 0.94 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.98 1x47 h PRO 47 CO 0.50 0.03 0.72 -0.06 -0.23 0.00 0.00 178.00 178.96 1x47 s PHE 48 N -3.44 2.78 0.01 1.56 0.40 -1.23 -2.96 117.98 115.10 1x47 s PHE 48 Ca 0.04 0.28 0.06 0.00 -0.60 0.00 0.00 56.93 56.71 1x47 s PHE 48 Cb 0.07 -4.21 -0.02 0.00 0.51 0.00 0.00 43.02 39.38 1x47 s PHE 48 CO 0.61 -1.34 -0.17 0.20 0.70 0.00 0.00 175.22 175.22 1x47 s GLY 49 N 2.68 0.88 0.04 4.36 0.00 -1.12 -0.50 107.32 113.66 1x47 s GLY 49 Ca 0.37 -0.82 -0.08 0.00 0.00 0.00 0.00 44.72 44.20 1x47 s GLY 49 CO 0.24 -0.73 0.15 0.00 0.00 0.00 0.00 173.10 172.76 1x47 s ALA 50 N -0.58 -0.23 0.09 3.20 0.00 -0.11 -1.82 121.76 122.31 1x47 s ALA 50 Ca 0.06 -0.41 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 1x47 s ALA 50 Cb -0.07 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 1x47 s ALA 50 CO 0.00 -0.35 0.01 0.45 0.00 0.00 0.00 175.76 175.88 1x47 s SER 51 N -2.13 0.41 -0.36 0.00 0.15 0.42 -1.28 113.70 110.91 1x47 s SER 51 Ca -0.05 -1.11 -0.01 0.00 0.70 0.00 0.00 55.95 55.48 1x47 s SER 51 Cb -0.01 0.25 0.09 0.00 -1.71 0.00 0.00 66.02 64.64 1x47 s SER 51 CO -0.04 -0.67 0.11 -0.69 1.20 0.00 0.00 173.24 173.15 1x47 s VAL 52 N -3.98 3.01 -0.23 4.45 1.01 0.23 -0.30 120.40 124.58 1x47 s VAL 52 Ca 0.16 -1.88 -0.17 0.00 0.00 0.00 0.00 61.98 60.09 1x47 s VAL 52 Cb 0.08 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1x47 s VAL 52 CO -0.04 -0.47 0.47 0.42 0.00 0.00 0.00 175.10 175.48 1x47 s THR 53 N 1.14 5.12 -0.49 3.92 -4.23 0.23 -1.81 115.64 119.51 1x47 s THR 53 Ca 0.04 0.81 -0.17 0.00 -1.18 0.00 0.00 61.69 61.19 1x47 s THR 53 Cb -0.21 -3.79 0.07 0.00 1.34 0.00 0.00 72.50 69.91 1x47 s THR 53 CO -0.04 0.16 0.51 -0.63 -0.54 0.00 0.00 174.62 174.08 1x47 s ILE 54 N 1.87 5.06 -1.26 2.99 1.01 0.49 -0.34 121.20 131.03 1x47 s ILE 54 Ca 0.20 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1x47 s ILE 54 Cb -0.15 -4.22 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 5.66 -5.52 0.00 3.58 2.03 -1.26 -0.77 116.55 120.28 1x47 n ASP 55 Ca -0.10 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1x47 n ASP 55 Cb 0.44 -4.06 0.00 0.00 -0.72 0.00 0.00 41.12 36.79 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 -0.08 1.52 3.68 0.27 0.00 -1.26 -5.07 105.19 104.26 1x47 n GLY 56 Ca -0.12 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.09 3.77 0.28 1.61 1.01 0.05 -4.89 120.40 121.14 1x47 s VAL 57 Ca 0.00 1.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.81 1x47 s VAL 57 Cb 0.00 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 1x47 s VAL 57 CO 0.00 -0.02 1.05 -0.89 0.00 0.00 0.00 175.10 175.25 1x47 s THR 58 N 2.57 3.66 0.00 3.92 2.01 -1.26 0.18 115.64 126.72 1x47 s THR 58 Ca 0.63 1.65 0.00 0.00 0.31 0.00 0.00 61.69 64.28 1x47 s THR 58 Cb -0.30 -4.04 0.00 0.00 0.01 0.00 0.00 72.50 68.17 1x47 s THR 58 CO 0.26 0.38 0.00 -1.22 -0.69 0.00 0.00 174.62 173.34 1x47 n TYR 59 N 1.20 0.00 -3.54 4.92 4.02 -0.75 -4.89 117.16 118.12 1x47 n TYR 59 Ca -0.01 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.51 1x47 n TYR 59 Cb 0.46 0.00 -0.07 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 -1.62 2.27 -0.14 2.72 0.00 -1.25 -4.79 107.32 104.51 1x47 s GLY 60 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 44.72 44.24 1x47 s GLY 60 CO 0.00 0.33 0.34 -1.35 0.00 0.00 0.00 173.10 172.42 1x47 s SER 61 N 0.04 -0.41 0.31 1.64 1.04 -1.26 0.76 113.70 115.82 1x47 s SER 61 Ca 0.19 0.74 -0.18 0.00 0.48 0.00 0.00 55.95 57.17 1x47 s SER 61 Cb -0.14 0.62 0.03 0.00 0.10 0.00 0.00 66.02 66.63 1x47 s SER 61 CO 0.06 -0.18 0.72 -0.83 0.98 0.00 0.00 173.24 173.99 1x47 s GLY 62 N 1.35 0.17 0.38 7.32 0.00 -0.40 -4.88 107.32 111.25 1x47 s GLY 62 Ca -0.09 -0.54 0.04 0.00 0.00 0.00 0.00 44.72 44.12 1x47 s GLY 62 CO -0.11 -0.24 0.07 -0.51 0.00 0.00 0.00 173.10 172.32 1x47 s THR 63 N -3.36 1.03 0.16 0.90 -4.23 -1.26 -0.93 115.64 107.94 1x47 s THR 63 Ca 0.14 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.49 1x47 s THR 63 Cb -0.05 -2.57 0.06 0.00 1.34 0.00 0.00 72.50 71.27 1x47 s THR 63 CO 0.09 0.00 0.78 0.00 -0.54 0.00 0.00 174.62 174.95 1x47 n ALA 64 N -0.85 -2.00 0.20 3.99 0.00 0.34 -4.61 120.51 117.57 1x47 n ALA 64 Ca -0.06 -0.81 0.08 0.00 0.00 0.00 0.00 53.44 52.65 1x47 n ALA 64 Cb 0.66 0.47 0.30 0.00 0.00 0.00 0.00 19.45 20.88 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 1.52 0.00 -1.76 0.00 0.02 -1.86 -3.25 113.55 108.22 1x47 h SER 65 Ca -0.21 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.13 1x47 h SER 65 Cb 0.92 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.33 1x47 h SER 65 CO 0.29 0.29 -0.55 -0.55 -1.14 0.00 0.00 176.83 175.16 1x47 s SER 66 N -6.28 3.49 -0.02 3.07 0.15 -1.26 -4.82 113.70 108.02 1x47 s SER 66 Ca 0.02 -1.54 -0.21 0.00 0.70 0.00 0.00 55.95 54.92 1x47 s SER 66 Cb 0.09 0.18 -0.27 0.00 -1.71 0.00 0.00 66.02 64.32 1x47 s SER 66 CO 0.67 -0.73 1.01 0.50 1.20 0.00 0.00 173.24 175.90 1x47 h LYS 67 N 1.68 0.34 0.12 5.44 3.64 -1.90 -3.19 116.57 122.69 1x47 h LYS 67 Ca -0.42 -0.44 0.01 0.00 -1.27 0.00 0.00 60.65 58.53 1x47 h LYS 67 Cb 1.28 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 33.20 1x47 h LYS 67 CO 0.72 1.14 -0.46 -0.22 -2.27 0.00 0.00 179.45 178.36 1x47 h LYS 68 N -0.25 -0.64 -0.98 1.90 3.64 -1.98 0.41 116.57 118.67 1x47 h LYS 68 Ca -0.10 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.47 1x47 h LYS 68 Cb 1.42 0.14 -0.15 0.00 -0.41 0.00 0.00 32.23 33.23 1x47 h LYS 68 CO 0.13 -0.42 -0.43 -0.07 -2.27 0.00 0.00 179.45 176.38 1x47 h LEU 69 N -0.66 -1.57 -0.22 5.20 -0.00 -1.98 1.60 115.31 117.69 1x47 h LEU 69 Ca -0.01 0.31 0.06 0.00 -0.00 0.00 0.00 57.88 58.24 1x47 h LEU 69 Cb 0.66 0.79 -0.07 0.00 -0.00 0.00 0.00 40.66 42.04 1x47 h LEU 69 CO -0.24 -0.28 -0.34 0.00 -0.00 0.00 0.00 178.44 177.58 1x47 h ALA 70 N 1.19 -0.35 -0.89 1.53 0.00 -1.33 1.54 119.26 120.95 1x47 h ALA 70 Ca 0.31 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.31 1x47 h ALA 70 Cb 0.56 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1x47 h ALA 70 CO -0.97 -0.80 0.58 -0.22 0.00 0.00 0.00 179.25 177.85 1x47 h LYS 71 N -0.37 1.01 -0.48 0.00 3.64 0.22 1.02 116.57 121.61 1x47 h LYS 71 Ca 0.12 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 1x47 h LYS 71 Cb 0.56 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1x47 h LYS 71 CO -0.42 0.67 -0.08 -0.97 -2.27 0.00 0.00 179.45 176.38 1x47 h ASN 72 N 1.04 0.85 -0.04 4.20 -0.73 0.49 -1.21 115.58 120.19 1x47 h ASN 72 Ca 0.37 -0.25 -0.03 0.00 1.87 0.00 0.00 56.30 58.26 1x47 h ASN 72 Cb 0.14 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.50 1x47 h ASN 72 CO -0.13 0.96 -0.10 0.11 -0.37 0.00 0.00 177.43 177.90 1x47 h LYS 73 N 0.78 0.13 -0.56 6.67 1.57 0.39 0.53 116.57 126.08 1x47 h LYS 73 Ca 0.13 -0.09 0.11 0.00 -1.87 0.00 0.00 60.65 58.94 1x47 h LYS 73 Cb 0.58 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.81 1x47 h LYS 73 CO 0.04 0.70 -0.02 0.00 -0.57 0.00 0.00 179.45 179.59 1x47 h ALA 74 N 0.43 0.51 -0.00 3.86 0.00 0.11 0.99 119.26 125.17 1x47 h ALA 74 Ca -0.00 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1x47 h ALA 74 Cb 0.70 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1x47 h ALA 74 CO 0.02 -0.40 -0.00 0.00 0.00 0.00 0.00 179.25 178.87 1x47 h ALA 75 N 1.51 0.00 -0.77 0.00 0.00 -1.22 -2.39 119.26 116.39 1x47 h ALA 75 Ca 0.29 -0.28 0.17 0.00 0.00 0.00 0.00 54.91 55.08 1x47 h ALA 75 Cb 0.45 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.12 1x47 h ALA 75 CO -0.49 -0.21 0.21 -0.09 0.00 0.00 0.00 179.25 178.67 1x47 h ARG 76 N -0.55 0.28 0.34 0.00 2.43 0.98 0.57 114.38 118.44 1x47 h ARG 76 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1x47 h ARG 76 Cb 0.57 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1x47 h ARG 76 CO 0.00 0.19 -0.16 0.00 -1.51 0.00 0.00 179.97 178.48 1x47 h ALA 77 N 1.64 -1.08 -0.93 2.80 0.00 1.00 -2.06 119.26 120.63 1x47 h ALA 77 Ca 0.45 -0.10 0.32 0.00 0.00 0.00 0.00 54.91 55.58 1x47 h ALA 77 Cb 0.79 0.18 -0.17 0.00 0.00 0.00 0.00 17.79 18.58 1x47 h ALA 77 CO -0.52 -1.05 0.24 2.41 0.00 0.00 0.00 179.25 180.33 1x47 n THR 78 N -3.27 -0.39 0.12 0.00 -1.04 -0.88 0.14 114.28 108.96 1x47 n THR 78 Ca -0.06 1.97 -0.13 0.00 -2.04 0.00 0.00 64.05 63.80 1x47 n THR 78 Cb 0.18 -3.02 -0.06 0.00 -1.82 0.00 0.00 70.33 65.61 1x47 n THR 78 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1x47 h LEU 79 N 0.00 -0.63 -1.30 -4.42 3.38 -0.66 0.32 115.31 112.00 1x47 h LEU 79 Ca 0.67 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.82 1x47 h LEU 79 Cb 1.59 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 42.51 1x47 h LEU 79 CO -0.80 -0.32 0.55 -0.33 0.09 0.00 0.00 178.44 177.63 1x47 h GLU 80 N -0.43 0.73 0.57 1.13 4.39 0.20 1.45 114.58 122.63 1x47 h GLU 80 Ca 0.02 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1x47 h GLU 80 Cb 0.44 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1x47 h GLU 80 CO -0.11 0.49 -0.27 0.82 -1.16 0.00 0.00 179.01 178.77 1x47 h ILE 81 N 0.76 0.43 0.27 3.13 2.04 0.18 -3.20 117.51 121.12 1x47 h ILE 81 Ca 0.40 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 66.18 1x47 h ILE 81 Cb 0.51 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1x47 h ILE 81 CO -0.16 0.01 -0.13 -0.07 0.00 0.00 0.00 178.15 177.80 1x47 h LEU 82 N -0.81 -0.31 -8.60 1.44 3.38 -0.17 -3.39 115.31 106.84 1x47 h LEU 82 Ca -0.08 -0.16 -0.67 0.00 0.09 0.00 0.00 57.88 57.06 1x47 h LEU 82 Cb 0.61 0.08 -0.17 0.00 0.09 0.00 0.00 40.66 41.26 1x47 h LEU 82 CO 0.13 0.00 -0.12 -0.63 0.09 0.00 0.00 178.44 177.91 1x47 s ILE 83 N -4.99 5.02 -0.77 1.22 1.01 0.49 -4.91 121.20 118.28 1x47 s ILE 83 Ca -0.15 -0.10 0.24 0.00 0.00 0.00 0.00 60.65 60.64 1x47 s ILE 83 Cb 0.03 -4.05 0.23 0.00 0.01 0.00 0.00 42.46 38.68 1x47 s ILE 83 CO 0.58 -0.40 1.73 -0.81 0.00 0.00 0.00 174.94 176.04 1x47 n PRO 84 N 5.75 0.13 0.00 2.79 -0.04 -1.22 -3.99 135.00 138.43 1x47 n PRO 84 Ca -0.06 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1x47 n PRO 84 Cb 0.48 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 1x47 n PRO 84 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1x47 n ASP 85 N -1.94 0.00 -1.06 3.54 2.03 -1.26 -5.08 116.55 112.78 1x47 n ASP 85 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1x47 n ASP 85 Cb 0.30 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 1x47 n ASP 85 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1x47 n PHE 86 N -0.73 -2.76 -1.47 -0.67 7.35 -1.26 -4.81 117.46 113.10 1x47 n PHE 86 Ca 0.00 1.44 -0.55 0.00 -0.76 0.00 0.00 57.45 57.58 1x47 n PHE 86 Cb 0.00 -2.73 -0.06 0.00 0.35 0.00 0.00 39.48 37.04 1x47 n PHE 86 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 1x47 n VAL 87 N -0.04 0.67 -2.95 -2.13 0.24 -1.26 -4.80 118.33 108.05 1x47 n VAL 87 Ca 0.00 -0.17 -0.44 0.00 -2.04 0.00 0.00 64.34 61.69 1x47 n VAL 87 Cb 0.00 -0.04 -0.01 0.00 -1.47 0.00 0.00 33.84 32.32 1x47 n VAL 87 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1x47 s LYS 88 N -0.32 3.88 -1.04 7.34 -0.14 -1.26 -4.92 119.74 123.28 1x47 s LYS 88 Ca 0.82 -2.25 -0.08 0.00 -1.36 0.00 0.00 55.97 53.09 1x47 s LYS 88 Cb -1.14 -4.98 0.26 0.00 -1.68 0.00 0.00 37.83 30.28 1x47 s LYS 88 CO 0.56 -1.75 1.01 -1.14 -0.76 0.00 0.00 175.35 173.27 1x47 s GLN 89 N 1.96 3.95 0.20 1.68 0.74 -1.26 -5.02 119.66 121.91 1x47 s GLN 89 Ca 0.38 -3.15 0.09 0.00 0.05 0.00 0.00 55.36 52.72 1x47 s GLN 89 Cb -0.04 -4.42 -0.04 0.00 1.10 0.00 0.00 33.01 29.61 1x47 s GLN 89 CO -0.04 -1.25 -0.07 0.99 -0.55 0.00 0.00 175.29 174.37 1x47 s THR 90 N -1.14 3.27 -0.09 -0.34 2.01 -1.26 -5.13 115.64 112.97 1x47 s THR 90 Ca 0.29 -1.70 -0.03 0.00 0.31 0.00 0.00 61.69 60.55 1x47 s THR 90 Cb -0.10 -2.65 0.05 0.00 0.01 0.00 0.00 72.50 69.81 1x47 s THR 90 CO -0.09 -0.17 0.12 -0.94 -0.69 0.00 0.00 174.62 172.85 1x47 s SER 91 N -3.01 1.21 0.96 3.53 1.04 -1.26 -5.15 113.70 111.02 1x47 s SER 91 Ca 0.26 0.04 -0.13 0.00 0.48 0.00 0.00 55.95 56.60 1x47 s SER 91 Cb -0.08 0.04 0.17 0.00 0.10 0.00 0.00 66.02 66.25 1x47 s SER 91 CO 0.16 -0.27 1.15 -1.61 0.98 0.00 0.00 173.24 173.65 1x47 s GLU 92 N 2.22 0.74 -0.19 4.02 2.02 -1.26 -4.72 118.70 121.53 1x47 s GLU 92 Ca 0.04 0.20 -0.10 0.00 0.02 0.00 0.00 54.97 55.13 1x47 s GLU 92 Cb -0.13 -1.80 0.04 0.00 0.10 0.00 0.00 34.13 32.34 1x47 s GLU 92 CO -0.06 -2.45 0.20 0.43 0.02 0.00 0.00 175.26 173.40 1x47 n SER 93 N -3.93 -1.81 0.00 -0.19 7.64 -1.26 -5.05 113.62 109.03 1x47 n SER 93 Ca 0.08 1.34 0.00 0.00 1.01 0.00 0.00 58.87 61.30 1x47 n SER 93 Cb 0.59 -5.06 0.00 0.00 -1.01 0.00 0.00 64.21 58.73 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 1.63 4.05 2.40 0.23 0.00 -1.26 -4.95 105.19 107.30 1x47 n GLY 94 Ca -0.35 -1.41 -0.25 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.81 2.50 -3.77 1.61 -0.04 -1.26 -4.76 135.00 127.46 1x47 n PRO 95 Ca 0.00 -1.55 -0.11 0.00 -0.04 0.00 0.00 63.50 61.80 1x47 n PRO 95 Cb 0.00 -2.44 -0.07 0.00 -0.04 0.00 0.00 33.50 30.95 1x47 n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x47 s SER 96 N 2.74 -0.08 0.19 3.54 0.15 -1.26 -5.09 113.70 113.89 1x47 s SER 96 Ca 0.52 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1x47 s SER 96 Cb 0.16 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1x47 s SER 96 CO -0.04 -0.64 0.00 -0.24 1.20 0.00 0.00 173.24 173.53 1x47 n SER 97 N 0.45 -8.37 -0.07 5.45 2.88 -1.26 -4.91 113.62 107.79 1x47 n SER 97 Ca -0.18 1.27 0.01 0.00 -1.33 0.00 0.00 58.87 58.64 1x47 n SER 97 Cb 0.60 -4.72 0.01 0.00 -0.75 0.00 0.00 64.21 59.34 1x47 n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42