#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 -0.05 -0.30 1.61 0.15 -1.26 -5.15 113.70 108.71 1x47 s SER 2 Ca 0.00 -0.08 -0.13 0.00 0.70 0.00 0.00 55.95 56.44 1x47 s SER 2 Cb 0.00 0.10 0.18 0.00 -1.71 0.00 0.00 66.02 64.60 1x47 s SER 2 CO 0.00 -0.19 1.09 -0.94 1.20 0.00 0.00 173.24 174.40 1x47 s SER 3 N -2.86 -0.33 -0.03 5.45 1.04 -1.26 -5.15 113.70 110.56 1x47 s SER 3 Ca 0.14 0.10 -0.22 0.00 0.48 0.00 0.00 55.95 56.45 1x47 s SER 3 Cb 0.05 1.23 -0.05 0.00 0.10 0.00 0.00 66.02 67.36 1x47 s SER 3 CO -0.05 -0.06 0.64 -0.83 0.98 0.00 0.00 173.24 173.92 1x47 s GLY 4 N 2.97 2.61 -0.40 7.32 0.00 -1.26 -5.02 107.32 113.54 1x47 s GLY 4 Ca 0.15 0.07 0.07 0.00 0.00 0.00 0.00 44.72 45.01 1x47 s GLY 4 CO -0.17 0.95 0.57 -0.56 0.00 0.00 0.00 173.10 173.88 1x47 s SER 5 N 0.26 -0.85 0.47 1.64 0.01 -1.26 -5.12 113.70 108.86 1x47 s SER 5 Ca 0.34 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.59 1x47 s SER 5 Cb -0.18 1.61 0.00 0.00 0.21 0.00 0.00 66.02 67.66 1x47 s SER 5 CO 0.17 -0.19 0.00 -1.20 0.41 0.00 0.00 173.24 172.43 1x47 n SER 6 N 4.35 -6.98 0.00 2.44 7.64 -1.26 -4.93 113.62 114.87 1x47 n SER 6 Ca 0.11 1.41 0.00 0.00 1.01 0.00 0.00 58.87 61.41 1x47 n SER 6 Cb 0.54 -3.92 0.00 0.00 -1.01 0.00 0.00 64.21 59.82 1x47 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x47 n GLY 7 N -2.06 1.05 2.85 0.23 0.00 -1.26 -5.03 105.19 100.97 1x47 n GLY 7 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1x47 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x47 n GLU 8 N -0.43 -2.91 -2.42 1.61 1.02 -1.26 -4.85 120.64 111.40 1x47 n GLU 8 Ca 0.00 2.34 -0.42 0.00 -0.02 0.00 0.00 57.16 59.06 1x47 n GLU 8 Cb 0.00 -3.03 -0.03 0.00 -0.02 0.00 0.00 31.44 28.36 1x47 n GLU 8 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1x47 s PHE 9 N -0.44 3.34 -1.04 -0.32 0.08 -1.26 -4.95 117.98 113.39 1x47 s PHE 9 Ca -0.14 1.25 -0.02 0.00 0.12 0.00 0.00 56.93 58.14 1x47 s PHE 9 Cb 0.01 -3.43 0.31 0.00 -0.57 0.00 0.00 43.02 39.34 1x47 s PHE 9 CO 0.41 -1.34 1.61 1.33 -0.10 0.00 0.00 175.22 177.13 1x47 n VAL 10 N 4.16 5.59 -1.67 -0.44 0.24 -1.26 -5.02 118.33 119.93 1x47 n VAL 10 Ca 0.10 -5.95 -0.45 0.00 -2.04 0.00 0.00 64.34 56.00 1x47 n VAL 10 Cb 0.46 -1.83 -0.03 0.00 -1.47 0.00 0.00 33.84 30.98 1x47 n VAL 10 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1x47 n ILE 11 N 0.66 0.90 -3.51 1.34 -5.35 -1.26 -4.97 119.36 107.17 1x47 n ILE 11 Ca 0.35 -0.22 0.01 0.00 -0.27 0.00 0.00 62.75 62.62 1x47 n ILE 11 Cb 0.30 -1.49 -0.05 0.00 -1.74 0.00 0.00 39.64 36.66 1x47 n ILE 11 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1x47 s ASN 12 N 0.33 -0.26 0.98 7.28 2.47 -1.26 -5.18 114.94 119.30 1x47 s ASN 12 Ca 0.69 0.39 -0.15 0.00 0.42 0.00 0.00 52.86 54.21 1x47 s ASN 12 Cb -0.65 1.19 0.18 0.00 -1.45 0.00 0.00 41.25 40.52 1x47 s ASN 12 CO 0.49 -0.06 1.17 -2.16 -3.72 0.00 0.00 177.10 172.82 1x47 s PRO 13 N 1.56 0.55 0.36 0.43 0.04 -1.26 -4.99 135.00 131.68 1x47 s PRO 13 Ca -0.06 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.05 1x47 s PRO 13 Cb -0.03 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1x47 s PRO 13 CO -0.14 -2.55 0.00 0.09 0.04 0.00 0.00 177.00 174.44 1x47 n ASN 14 N -3.97 -3.07 0.00 6.66 3.02 -1.26 -5.15 115.26 111.49 1x47 n ASN 14 Ca 0.10 0.68 0.00 0.00 -0.03 0.00 0.00 54.58 55.33 1x47 n ASN 14 Cb 0.59 2.96 0.00 0.00 -0.61 0.00 0.00 39.78 42.73 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 -1.27 4.69 3.32 7.41 0.00 -1.26 -5.16 105.19 112.93 1x47 n GLY 15 Ca 0.00 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 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 3.91 2.22 0.48 1.61 0.00 -1.26 -5.14 119.74 121.57 1x47 s LYS 16 Ca 0.00 -0.90 0.08 0.00 0.00 0.00 0.00 55.97 55.15 1x47 s LYS 16 Cb 0.00 -2.09 0.03 0.00 0.00 0.00 0.00 37.83 35.76 1x47 s LYS 16 CO 0.00 0.54 0.54 -1.12 0.00 0.00 0.00 175.35 175.31 1x47 s SER 17 N -0.55 5.14 0.11 0.03 0.01 -1.26 -4.85 113.70 112.32 1x47 s SER 17 Ca 0.08 -0.78 -0.33 0.00 1.31 0.00 0.00 55.95 56.24 1x47 s SER 17 Cb -0.11 -0.19 -0.12 0.00 0.21 0.00 0.00 66.02 65.81 1x47 s SER 17 CO -0.00 -0.94 1.58 -0.08 0.41 0.00 0.00 173.24 174.21 1x47 h GLU 18 N 0.66 -0.71 -1.22 12.44 4.57 -1.97 1.38 114.58 129.73 1x47 h GLU 18 Ca -0.37 0.05 0.36 0.00 -1.18 0.00 0.00 59.36 58.22 1x47 h GLU 18 Cb 1.28 0.16 -0.10 0.00 -0.16 0.00 0.00 28.75 29.93 1x47 h GLU 18 CO 0.50 -0.47 0.80 -0.39 -1.18 0.00 0.00 179.01 178.26 1x47 h VAL 19 N -0.74 0.31 0.09 0.32 -1.51 -1.86 1.19 116.25 114.05 1x47 h VAL 19 Ca 0.00 -0.07 -0.00 0.00 -1.23 0.00 0.00 66.70 65.40 1x47 h VAL 19 Cb 0.73 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 29.99 1x47 h VAL 19 CO -0.21 0.04 -0.04 0.00 -1.23 0.00 0.00 177.57 176.12 1x47 h ILE 21 N -1.02 0.00 -0.95 0.00 2.04 0.41 0.38 117.51 118.37 1x47 h ILE 21 Ca -0.01 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.12 1x47 h ILE 21 Cb 0.20 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.11 1x47 h ILE 21 CO 0.02 0.00 0.13 0.25 0.00 0.00 0.00 178.15 178.55 1x47 h LEU 22 N -0.42 -0.27 0.83 1.44 7.12 0.12 0.28 115.31 124.41 1x47 h LEU 22 Ca 0.06 0.25 -0.04 0.00 0.13 0.00 0.00 57.88 58.28 1x47 h LEU 22 Cb 0.59 0.40 0.01 0.00 -0.53 0.00 0.00 40.66 41.13 1x47 h LEU 22 CO -0.54 -0.31 -0.40 -0.74 -0.13 0.00 0.00 178.44 176.32 1x47 h HIS 23 N 0.06 -1.03 -0.06 1.25 2.76 -0.32 -0.39 115.15 117.41 1x47 h HIS 23 Ca 0.61 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.76 1x47 h HIS 23 Cb 1.29 0.34 -0.01 0.00 1.55 0.00 0.00 27.41 30.58 1x47 h HIS 23 CO -0.38 -0.63 -0.05 1.49 -1.30 0.00 0.00 177.93 177.06 1x47 h GLU 24 N -1.21 -0.01 -0.84 5.26 4.81 0.29 0.77 114.58 123.65 1x47 h GLU 24 Ca -0.11 0.00 0.21 0.00 -0.13 0.00 0.00 59.36 59.33 1x47 h GLU 24 Cb 0.86 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.11 1x47 h GLU 24 CO 0.19 -0.01 0.21 -0.92 -0.73 0.00 0.00 179.01 177.75 1x47 h TYR 25 N -0.01 0.32 0.68 0.92 5.03 -1.07 0.94 116.97 123.77 1x47 h TYR 25 Ca 0.01 0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.34 1x47 h TYR 25 Cb 0.04 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.31 1x47 h TYR 25 CO -0.80 -0.17 -0.42 0.52 -1.32 0.00 0.00 178.16 175.96 1x47 h MET 26 N 0.23 -1.00 0.00 1.82 2.86 0.94 1.47 114.93 121.25 1x47 h MET 26 Ca 0.51 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.21 1x47 h MET 26 Cb 0.97 0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1x47 h MET 26 CO -0.61 -0.67 0.00 0.94 1.06 0.00 0.00 176.91 177.63 1x47 n GLN 27 N -5.09 0.14 -0.10 1.72 7.27 0.24 0.23 117.38 121.80 1x47 n GLN 27 Ca -0.13 0.19 -0.24 0.00 0.07 0.00 0.00 57.00 56.90 1x47 n GLN 27 Cb 0.43 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.47 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 -1.31 0.63 -0.11 3.69 0.63 0.32 -3.46 116.66 117.04 1x47 n ARG 28 Ca 0.05 0.35 -0.21 0.00 -0.92 0.00 0.00 57.85 57.12 1x47 n ARG 28 Cb 0.10 -1.63 -0.09 0.00 0.45 0.00 0.00 32.46 31.29 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 -4.00 1.52 -0.04 5.15 0.24 0.49 -4.58 118.33 117.11 1x47 n VAL 29 Ca -0.41 -0.10 -0.13 0.00 -2.04 0.00 0.00 64.34 61.66 1x47 n VAL 29 Cb 0.87 -2.06 -0.11 0.00 -1.47 0.00 0.00 33.84 31.07 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 -0.01 -1.44 1.34 3.38 0.28 -3.49 115.31 114.36 1x47 h LEU 30 Ca -0.40 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 56.84 1x47 h LEU 30 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1x47 h LEU 30 CO -0.24 0.75 0.00 1.17 0.09 0.00 0.00 178.44 180.20 1x47 n LYS 31 N -4.73 0.00 -3.78 1.13 4.81 0.46 -4.92 118.16 111.13 1x47 n LYS 31 Ca -0.09 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.22 1x47 n LYS 31 Cb 0.37 -2.30 -0.09 0.00 0.02 0.00 0.00 35.03 33.02 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 -2.87 0.05 -0.34 3.15 -7.23 -1.25 -4.91 120.40 107.00 1x47 s VAL 32 Ca 0.00 -0.42 -0.25 0.00 -1.81 0.00 0.00 61.98 59.50 1x47 s VAL 32 Cb 0.00 -0.54 0.01 0.00 0.56 0.00 0.00 36.38 36.41 1x47 s VAL 32 CO 0.00 -0.23 0.89 -0.13 -0.31 0.00 0.00 175.10 175.32 1x47 s ARG 33 N -1.03 3.91 0.16 4.82 0.52 -1.26 -3.84 118.95 122.22 1x47 s ARG 33 Ca -0.11 0.63 -0.30 0.00 -0.52 0.00 0.00 55.73 55.43 1x47 s ARG 33 Cb -0.05 -3.77 -0.07 0.00 0.52 0.00 0.00 34.95 31.58 1x47 s ARG 33 CO 0.03 -0.84 1.13 -1.25 0.02 0.00 0.00 175.30 174.39 1x47 s PRO 34 N 3.28 4.55 -0.19 3.54 0.04 -1.26 -4.57 135.00 140.39 1x47 s PRO 34 Ca 0.37 1.75 -0.11 0.00 0.04 0.00 0.00 61.00 63.04 1x47 s PRO 34 Cb -0.13 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.08 1x47 s PRO 34 CO 0.16 -0.01 0.18 0.08 0.04 0.00 0.00 177.00 177.45 1x47 s VAL 35 N 0.01 5.38 -0.32 -0.36 1.01 0.36 -4.95 120.40 121.53 1x47 s VAL 35 Ca 0.51 0.30 -0.18 0.00 0.00 0.00 0.00 61.98 62.62 1x47 s VAL 35 Cb -0.30 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1x47 s VAL 35 CO 0.34 0.42 0.50 -0.31 0.00 0.00 0.00 175.10 176.06 1x47 s TYR 36 N 0.42 3.20 -0.22 5.22 1.51 -1.26 0.36 117.35 126.58 1x47 s TYR 36 Ca 0.11 0.31 -0.17 0.00 -1.01 0.00 0.00 57.07 56.31 1x47 s TYR 36 Cb -0.12 -2.85 -0.04 0.00 -0.11 0.00 0.00 41.96 38.85 1x47 s TYR 36 CO -0.00 -0.45 0.45 -0.80 -1.11 0.00 0.00 175.55 173.63 1x47 s ASN 37 N 1.70 6.45 0.00 2.29 0.01 0.57 -4.89 114.94 121.08 1x47 s ASN 37 Ca 0.19 0.54 0.03 0.00 -0.71 0.00 0.00 52.86 52.91 1x47 s ASN 37 Cb -0.15 -2.25 -0.03 0.00 0.41 0.00 0.00 41.25 39.22 1x47 s ASN 37 CO 0.12 -0.15 -0.08 -0.36 -1.51 0.00 0.00 177.10 175.12 1x47 s PHE 38 N 1.62 2.85 0.32 2.20 0.08 -1.26 0.19 117.98 123.98 1x47 s PHE 38 Ca 0.20 -0.06 -0.15 0.00 0.12 0.00 0.00 56.93 57.04 1x47 s PHE 38 Cb -0.15 -1.60 0.06 0.00 -0.57 0.00 0.00 43.02 40.76 1x47 s PHE 38 CO 0.09 0.35 0.77 1.97 -0.10 0.00 0.00 175.22 178.30 1x47 n PHE 39 N 1.62 -2.05 -3.34 0.36 1.16 -0.89 -5.00 117.46 109.30 1x47 n PHE 39 Ca -0.16 -1.59 -0.26 0.00 -1.87 0.00 0.00 57.45 53.57 1x47 n PHE 39 Cb 0.52 0.79 -0.02 0.00 -1.61 0.00 0.00 39.48 39.17 1x47 n PHE 39 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1x47 s GLU 40 N -2.07 3.55 0.19 3.97 2.02 -1.26 -2.59 118.70 122.50 1x47 s GLU 40 Ca 0.16 -0.16 0.04 0.00 0.02 0.00 0.00 54.97 55.03 1x47 s GLU 40 Cb -0.04 -2.66 -0.03 0.00 0.10 0.00 0.00 34.13 31.50 1x47 s GLU 40 CO 0.10 0.18 0.29 0.00 0.02 0.00 0.00 175.26 175.84 1x47 h GLU 42 N 1.80 0.42 -6.49 0.00 4.81 -1.93 -3.45 114.58 109.74 1x47 h GLU 42 Ca -0.50 -0.46 -0.53 0.00 -0.13 0.00 0.00 59.36 57.75 1x47 h GLU 42 Cb 1.21 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.69 1x47 h GLU 42 CO 0.65 1.12 0.07 -0.80 -0.73 0.00 0.00 179.01 179.32 1x47 s ASN 43 N -7.09 7.06 0.46 1.04 0.01 -1.26 -4.96 114.94 110.19 1x47 s ASN 43 Ca -0.06 1.37 0.28 0.00 -0.71 0.00 0.00 52.86 53.74 1x47 s ASN 43 Cb 0.09 -2.40 0.87 0.00 0.41 0.00 0.00 41.25 40.22 1x47 s ASN 43 CO 0.87 0.09 1.79 1.55 -1.51 0.00 0.00 177.10 179.89 1x47 h PRO 44 N 3.66 0.00 -0.33 -0.60 0.13 -2.01 -3.25 132.00 129.60 1x47 h PRO 44 Ca -0.48 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.72 1x47 h PRO 44 Cb 1.20 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 1x47 h PRO 44 CO 0.65 0.00 -0.19 0.66 -0.23 0.00 0.00 178.00 178.89 1x47 h SER 45 N 0.00 -0.64 -3.03 1.44 4.64 -1.97 -3.34 113.55 110.65 1x47 h SER 45 Ca 0.00 0.14 -0.59 0.00 -0.47 0.00 0.00 61.79 60.87 1x47 h SER 45 Cb 0.72 0.33 -0.40 0.00 -0.31 0.00 0.00 62.40 62.75 1x47 h SER 45 CO 0.00 -0.23 -0.79 -1.61 -0.87 0.00 0.00 176.83 173.34 1x47 s GLU 46 N -6.14 0.82 0.49 4.77 2.02 -1.23 -4.75 118.70 114.69 1x47 s GLU 46 Ca -0.14 -1.49 0.28 0.00 0.02 0.00 0.00 54.97 53.64 1x47 s GLU 46 Cb 0.13 -1.77 0.85 0.00 0.10 0.00 0.00 34.13 33.44 1x47 s GLU 46 CO 0.69 -1.15 1.79 -1.00 0.02 0.00 0.00 175.26 175.62 1x47 h PRO 47 N 7.16 0.00 -6.04 0.39 0.13 -1.70 -3.39 132.00 128.55 1x47 h PRO 47 Ca -0.01 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.52 1x47 h PRO 47 Cb 0.96 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.98 1x47 h PRO 47 CO 0.39 0.02 0.66 -0.06 -0.23 0.00 0.00 178.00 178.78 1x47 s PHE 48 N -3.44 2.76 0.07 1.56 0.40 -1.22 -2.54 117.98 115.57 1x47 s PHE 48 Ca 0.04 0.11 0.08 0.00 -0.60 0.00 0.00 56.93 56.55 1x47 s PHE 48 Cb 0.07 -4.17 -0.03 0.00 0.51 0.00 0.00 43.02 39.41 1x47 s PHE 48 CO 0.61 -1.39 -0.21 0.20 0.70 0.00 0.00 175.22 175.13 1x47 s GLY 49 N 2.83 1.18 0.01 4.36 0.00 -1.07 -0.48 107.32 114.15 1x47 s GLY 49 Ca 0.34 -1.15 -0.13 0.00 0.00 0.00 0.00 44.72 43.78 1x47 s GLY 49 CO 0.21 -1.11 0.27 0.00 0.00 0.00 0.00 173.10 172.47 1x47 s ALA 50 N -0.97 -0.66 0.17 3.20 0.00 -0.43 -2.10 121.76 120.97 1x47 s ALA 50 Ca 0.07 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.18 1x47 s ALA 50 Cb -0.09 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 1x47 s ALA 50 CO 0.03 -0.30 -0.01 -1.54 0.00 0.00 0.00 175.76 173.94 1x47 s SER 51 N -1.58 1.32 -0.34 0.00 1.04 0.49 -1.44 113.70 113.18 1x47 s SER 51 Ca -0.11 -1.16 0.03 0.00 0.48 0.00 0.00 55.95 55.19 1x47 s SER 51 Cb -0.04 0.10 0.10 0.00 0.10 0.00 0.00 66.02 66.27 1x47 s SER 51 CO 0.01 -0.54 0.05 -0.69 0.98 0.00 0.00 173.24 173.06 1x47 s VAL 52 N -3.60 2.44 -0.23 5.02 1.01 0.01 -0.31 120.40 124.73 1x47 s VAL 52 Ca 0.23 -2.20 -0.13 0.00 0.00 0.00 0.00 61.98 59.88 1x47 s VAL 52 Cb 0.06 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1x47 s VAL 52 CO 0.04 -0.54 0.28 0.42 0.00 0.00 0.00 175.10 175.30 1x47 s THR 53 N 0.97 5.27 -0.48 3.92 -4.23 0.16 -2.01 115.64 119.23 1x47 s THR 53 Ca 0.08 0.43 -0.17 0.00 -1.18 0.00 0.00 61.69 60.85 1x47 s THR 53 Cb -0.20 -3.62 0.06 0.00 1.34 0.00 0.00 72.50 70.09 1x47 s THR 53 CO -0.07 0.27 0.47 -0.63 -0.54 0.00 0.00 174.62 174.12 1x47 s ILE 54 N 1.36 5.11 -0.72 2.99 1.01 0.50 -0.49 121.20 130.97 1x47 s ILE 54 Ca 0.13 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1x47 s ILE 54 Cb -0.14 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.16 1x47 s ILE 54 CO 0.07 -0.63 0.00 -0.67 0.00 0.00 0.00 174.94 173.71 1x47 n ASP 55 N 5.53 -5.22 0.00 3.58 2.03 -1.26 -1.23 116.55 119.97 1x47 n ASP 55 Ca -0.10 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1x47 n ASP 55 Cb 0.45 -3.32 0.00 0.00 -0.72 0.00 0.00 41.12 37.53 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 -0.28 1.53 3.70 0.27 0.00 -1.26 -5.07 105.19 104.08 1x47 n GLY 56 Ca -0.07 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.97 3.65 0.08 1.61 1.01 -0.37 -4.87 120.40 120.54 1x47 s VAL 57 Ca 0.00 1.12 -0.28 0.00 0.00 0.00 0.00 61.98 62.82 1x47 s VAL 57 Cb 0.00 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 1x47 s VAL 57 CO 0.00 0.04 0.88 -0.89 0.00 0.00 0.00 175.10 175.13 1x47 s THR 58 N 1.74 4.61 0.00 3.92 2.01 -1.26 0.19 115.64 126.85 1x47 s THR 58 Ca 0.63 1.89 0.00 0.00 0.31 0.00 0.00 61.69 64.52 1x47 s THR 58 Cb -0.33 -4.24 0.00 0.00 0.01 0.00 0.00 72.50 67.94 1x47 s THR 58 CO 0.28 0.33 0.00 -1.22 -0.69 0.00 0.00 174.62 173.32 1x47 n TYR 59 N 2.84 0.00 -4.26 4.92 4.02 -0.85 -4.92 117.16 118.90 1x47 n TYR 59 Ca 0.01 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.55 1x47 n TYR 59 Cb 0.50 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.72 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 -1.42 1.85 0.03 2.72 0.00 -1.25 -4.81 107.32 104.43 1x47 s GLY 60 Ca 0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 44.72 43.83 1x47 s GLY 60 CO 0.00 -0.28 0.22 -1.35 0.00 0.00 0.00 173.10 171.70 1x47 s SER 61 N -0.28 -0.03 0.06 1.64 1.04 -1.26 -0.81 113.70 114.07 1x47 s SER 61 Ca 0.07 -0.25 -0.28 0.00 0.48 0.00 0.00 55.95 55.97 1x47 s SER 61 Cb -0.12 0.29 0.09 0.00 0.10 0.00 0.00 66.02 66.39 1x47 s SER 61 CO 0.02 -0.53 1.15 -0.83 0.98 0.00 0.00 173.24 174.02 1x47 s GLY 62 N -1.89 -0.30 0.42 7.32 0.00 -0.52 -4.78 107.32 107.56 1x47 s GLY 62 Ca -0.07 0.39 0.04 0.00 0.00 0.00 0.00 44.72 45.07 1x47 s GLY 62 CO -0.02 0.39 0.05 -0.51 0.00 0.00 0.00 173.10 173.01 1x47 s THR 63 N -2.74 1.17 0.14 0.90 -4.23 -1.26 -1.31 115.64 108.31 1x47 s THR 63 Ca 0.14 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.51 1x47 s THR 63 Cb 0.02 -2.52 0.05 0.00 1.34 0.00 0.00 72.50 71.39 1x47 s THR 63 CO -0.01 0.00 0.71 0.00 -0.54 0.00 0.00 174.62 174.78 1x47 n ALA 64 N -0.97 -1.84 0.14 3.99 0.00 0.36 -4.55 120.51 117.64 1x47 n ALA 64 Ca -0.09 -0.73 -0.00 0.00 0.00 0.00 0.00 53.44 52.61 1x47 n ALA 64 Cb 0.66 0.43 0.19 0.00 0.00 0.00 0.00 19.45 20.73 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 1.39 0.00 -4.46 0.00 0.87 -1.85 -3.23 113.55 106.26 1x47 h SER 65 Ca -0.19 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 59.91 1x47 h SER 65 Cb 0.85 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.72 1x47 h SER 65 CO 0.26 0.58 -0.32 -0.24 -0.53 0.00 0.00 176.83 176.58 1x47 n SER 66 N -3.75 2.92 0.02 6.23 2.88 -1.26 -4.71 113.62 115.94 1x47 n SER 66 Ca -0.01 -2.53 -0.21 0.00 -1.33 0.00 0.00 58.87 54.80 1x47 n SER 66 Cb 0.60 0.22 -0.14 0.00 -0.75 0.00 0.00 64.21 64.15 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 0.25 0.18 -1.46 3.64 -1.89 -3.25 116.57 114.05 1x47 h LYS 67 Ca -0.29 -0.42 0.01 0.00 -1.27 0.00 0.00 60.65 58.68 1x47 h LYS 67 Cb 0.89 0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 1x47 h LYS 67 CO 0.48 1.20 -0.47 0.87 -2.27 0.00 0.00 179.45 179.25 1x47 h LYS 68 N -0.40 -0.71 -0.84 1.90 1.57 -1.98 0.67 116.57 116.80 1x47 h LYS 68 Ca -0.22 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 58.72 1x47 h LYS 68 Cb 1.66 0.16 -0.13 0.00 0.08 0.00 0.00 32.23 33.99 1x47 h LYS 68 CO 0.08 -0.47 -0.43 -0.07 -0.57 0.00 0.00 179.45 178.00 1x47 h LEU 69 N -0.73 -1.54 -0.27 2.94 -0.00 -1.97 1.57 115.31 115.30 1x47 h LEU 69 Ca -0.02 0.29 0.06 0.00 -0.00 0.00 0.00 57.88 58.21 1x47 h LEU 69 Cb 0.71 0.75 -0.08 0.00 -0.00 0.00 0.00 40.66 42.04 1x47 h LEU 69 CO -0.22 -0.29 -0.38 0.00 -0.00 0.00 0.00 178.44 177.55 1x47 h ALA 70 N 0.99 -0.41 -0.34 1.53 0.00 -1.41 0.82 119.26 120.45 1x47 h ALA 70 Ca 0.26 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.25 1x47 h ALA 70 Cb 0.55 0.76 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1x47 h ALA 70 CO -0.87 -0.84 0.11 -0.22 0.00 0.00 0.00 179.25 177.44 1x47 h LYS 71 N -0.37 0.24 -0.79 0.00 3.64 0.19 1.44 116.57 120.92 1x47 h LYS 71 Ca 0.12 -0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.60 1x47 h LYS 71 Cb 0.58 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.26 1x47 h LYS 71 CO -0.47 0.16 0.41 -0.91 -2.27 0.00 0.00 179.45 176.36 1x47 h ASN 72 N 0.25 0.52 -0.09 4.20 2.35 0.38 0.31 115.58 123.49 1x47 h ASN 72 Ca 0.15 0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.90 1x47 h ASN 72 Cb 0.14 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1x47 h ASN 72 CO -0.17 0.26 -0.26 0.11 -1.65 0.00 0.00 177.43 175.72 1x47 h LYS 73 N 0.64 0.34 -0.61 0.81 1.57 0.19 0.38 116.57 119.90 1x47 h LYS 73 Ca 0.41 -0.24 0.13 0.00 -1.87 0.00 0.00 60.65 59.07 1x47 h LYS 73 Cb 0.49 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.74 1x47 h LYS 73 CO -0.31 0.86 0.02 0.00 -0.57 0.00 0.00 179.45 179.45 1x47 h ALA 74 N 0.48 0.61 0.16 3.86 0.00 0.31 0.84 119.26 125.51 1x47 h ALA 74 Ca -0.01 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1x47 h ALA 74 Cb 0.88 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1x47 h ALA 74 CO 0.06 -0.38 -0.07 0.00 0.00 0.00 0.00 179.25 178.85 1x47 h ALA 75 N 1.55 -0.21 -1.14 0.00 0.00 -0.42 -2.58 119.26 116.46 1x47 h ALA 75 Ca 0.32 -0.23 0.34 0.00 0.00 0.00 0.00 54.91 55.34 1x47 h ALA 75 Cb 0.51 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.26 1x47 h ALA 75 CO -0.51 -0.29 0.71 -0.09 0.00 0.00 0.00 179.25 179.07 1x47 h ARG 76 N -0.85 0.25 0.22 0.00 2.43 0.39 0.37 114.38 117.18 1x47 h ARG 76 Ca -0.02 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1x47 h ARG 76 Cb 0.53 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1x47 h ARG 76 CO 0.03 0.17 -0.10 0.00 -1.51 0.00 0.00 179.97 178.56 1x47 h ALA 77 N 1.67 -0.72 -0.94 2.80 0.00 0.70 -2.44 119.26 120.34 1x47 h ALA 77 Ca 0.71 -0.06 0.30 0.00 0.00 0.00 0.00 54.91 55.86 1x47 h ALA 77 Cb 1.95 0.11 -0.17 0.00 0.00 0.00 0.00 17.79 19.68 1x47 h ALA 77 CO -0.41 -0.69 0.17 2.41 0.00 0.00 0.00 179.25 180.72 1x47 n THR 78 N -3.12 -0.39 0.26 0.00 -1.04 -0.45 0.27 114.28 109.80 1x47 n THR 78 Ca -0.04 2.01 -0.15 0.00 -2.04 0.00 0.00 64.05 63.83 1x47 n THR 78 Cb 0.12 -3.03 -0.08 0.00 -1.82 0.00 0.00 70.33 65.51 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 -1.12 -0.68 -4.42 3.38 -0.97 -1.95 115.31 109.55 1x47 h LEU 79 Ca 0.64 0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.82 1x47 h LEU 79 Cb 1.46 0.36 -0.13 0.00 0.09 0.00 0.00 40.66 42.44 1x47 h LEU 79 CO -0.83 -0.56 -0.23 -0.33 0.09 0.00 0.00 178.44 176.57 1x47 h GLU 80 N -0.86 -0.05 -0.70 1.13 5.08 0.33 1.11 114.58 120.61 1x47 h GLU 80 Ca -0.06 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.43 1x47 h GLU 80 Cb 0.74 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.87 1x47 h GLU 80 CO -0.03 -0.03 -0.31 0.82 -1.00 0.00 0.00 179.01 178.46 1x47 h ILE 81 N -0.05 0.16 0.00 3.13 2.04 -0.71 -2.98 117.51 119.09 1x47 h ILE 81 Ca 0.31 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.17 1x47 h ILE 81 Cb 0.54 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1x47 h ILE 81 CO -0.73 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.60 1x47 n LEU 82 N -5.46 0.07 -4.63 1.44 4.77 0.56 -4.64 117.00 109.12 1x47 n LEU 82 Ca 0.07 0.67 -0.43 0.00 -0.03 0.00 0.00 56.01 56.28 1x47 n LEU 82 Cb 0.37 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1x47 n LEU 82 CO -0.02 -0.48 1.13 -0.63 -1.33 0.00 0.00 177.39 176.06 1x47 s ILE 83 N -1.69 4.13 0.21 -0.08 1.01 0.35 -4.88 121.20 120.24 1x47 s ILE 83 Ca 0.00 1.26 0.07 0.00 0.00 0.00 0.00 60.65 61.97 1x47 s ILE 83 Cb 0.00 -4.19 -0.10 0.00 0.01 0.00 0.00 42.46 38.18 1x47 s ILE 83 CO 0.00 -0.53 1.47 1.55 0.00 0.00 0.00 174.94 177.43 1x47 h PRO 84 N 9.42 0.09 -2.50 2.79 0.13 -1.82 -3.34 132.00 136.76 1x47 h PRO 84 Ca -0.26 -0.09 -0.60 0.00 -0.87 0.00 0.00 66.00 64.19 1x47 h PRO 84 Cb 1.10 0.02 -0.40 0.00 0.13 0.00 0.00 31.00 31.84 1x47 h PRO 84 CO 1.04 0.81 -0.79 -0.25 -0.23 0.00 0.00 178.00 178.59 1x47 n ASP 85 N -3.68 1.63 -0.02 1.44 8.00 -1.26 -4.89 116.55 117.76 1x47 n ASP 85 Ca -0.02 -2.92 -0.16 0.00 0.71 0.00 0.00 54.79 52.40 1x47 n ASP 85 Cb 0.74 -0.66 -0.14 0.00 -0.02 0.00 0.00 41.12 41.04 1x47 n ASP 85 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1x47 n PHE 86 N 1.90 0.97 -3.62 1.24 7.35 -1.26 -4.85 117.46 119.18 1x47 n PHE 86 Ca 0.25 0.25 -0.23 0.00 -0.76 0.00 0.00 57.45 56.96 1x47 n PHE 86 Cb 0.43 -1.14 -0.17 0.00 0.35 0.00 0.00 39.48 38.95 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 -2.56 -0.13 0.10 -2.13 -7.23 -1.26 -5.04 120.40 102.15 1x47 s VAL 87 Ca -0.18 0.04 -0.22 0.00 -1.81 0.00 0.00 61.98 59.82 1x47 s VAL 87 Cb 0.07 -0.45 -0.06 0.00 0.56 0.00 0.00 36.38 36.51 1x47 s VAL 87 CO 0.77 -0.12 1.37 0.50 -0.31 0.00 0.00 175.10 177.31 1x47 h LYS 88 N 8.41 -0.13 -4.83 4.82 3.64 -1.98 -3.47 116.57 123.03 1x47 h LYS 88 Ca -0.14 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1x47 h LYS 88 Cb 1.14 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 1x47 h LYS 88 CO 0.24 -0.08 -0.96 0.94 -2.27 0.00 0.00 179.45 177.32 1x47 n GLN 89 N -4.53 -4.03 -1.10 1.90 7.27 -1.26 -4.89 117.38 110.73 1x47 n GLN 89 Ca -0.00 2.98 -0.34 0.00 0.07 0.00 0.00 57.00 59.71 1x47 n GLN 89 Cb 0.20 -3.95 0.13 0.00 2.41 0.00 0.00 30.24 29.03 1x47 n GLN 89 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 1x47 n THR 90 N 1.90 1.96 -3.62 1.69 5.66 -1.26 -5.04 114.28 115.58 1x47 n THR 90 Ca -0.13 -0.21 -0.10 0.00 -3.05 0.00 0.00 64.05 60.56 1x47 n THR 90 Cb 0.19 -1.16 -0.03 0.00 -1.55 0.00 0.00 70.33 67.78 1x47 n THR 90 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1x47 s SER 91 N -2.09 -0.34 -0.42 1.09 1.04 -1.26 -5.10 113.70 106.62 1x47 s SER 91 Ca 0.73 -0.29 0.05 0.00 0.48 0.00 0.00 55.95 56.91 1x47 s SER 91 Cb -0.29 0.56 0.31 0.00 0.10 0.00 0.00 66.02 66.70 1x47 s SER 91 CO 0.52 -0.98 1.18 -1.84 0.98 0.00 0.00 173.24 173.10 1x47 n GLU 92 N -0.32 0.73 -3.00 4.02 0.28 -1.26 -5.06 120.64 116.03 1x47 n GLU 92 Ca -0.14 -1.54 -0.01 0.00 -0.16 0.00 0.00 57.16 55.32 1x47 n GLU 92 Cb 0.63 -0.80 -0.01 0.00 1.43 0.00 0.00 31.44 32.70 1x47 n GLU 92 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1x47 n SER 93 N 0.55 -6.28 -4.98 -1.84 7.64 -1.26 -5.00 113.62 102.46 1x47 n SER 93 Ca 0.03 0.88 -0.18 0.00 1.01 0.00 0.00 58.87 60.61 1x47 n SER 93 Cb 0.71 -2.70 0.00 0.00 -1.01 0.00 0.00 64.21 61.22 1x47 n SER 93 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x47 s GLY 94 N -0.74 1.99 0.08 0.23 0.00 -1.26 -5.04 107.32 102.58 1x47 s GLY 94 Ca -0.04 -1.76 -0.14 0.00 0.00 0.00 0.00 44.72 42.78 1x47 s GLY 94 CO 0.24 -1.57 1.23 -0.56 0.00 0.00 0.00 173.10 172.44 1x47 h PRO 95 N 0.69 0.74 0.00 2.90 0.13 -2.08 -3.47 132.00 130.91 1x47 h PRO 95 Ca -0.39 -0.72 0.00 0.00 -0.87 0.00 0.00 66.00 64.02 1x47 h PRO 95 Cb 1.28 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.59 1x47 h PRO 95 CO 0.48 1.30 0.00 -1.13 -0.23 0.00 0.00 178.00 178.42 1x47 n SER 96 N -3.89 -0.81 -2.66 1.44 3.41 -1.26 -5.12 113.62 104.73 1x47 n SER 96 Ca -0.10 0.50 -0.04 0.00 -0.26 0.00 0.00 58.87 58.97 1x47 n SER 96 Cb 0.83 1.09 -0.04 0.00 -0.26 0.00 0.00 64.21 65.84 1x47 n SER 96 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x47 n SER 97 N -2.94 -2.45 0.00 4.04 7.64 -1.26 -5.24 113.62 113.40 1x47 n SER 97 Ca 0.00 1.35 0.00 0.00 1.01 0.00 0.00 58.87 61.23 1x47 n SER 97 Cb 0.00 -5.10 0.00 0.00 -1.01 0.00 0.00 64.21 58.10 1x47 n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64