#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 1.88 -4.96 1.61 7.64 -1.26 -5.00 113.62 113.53 1x47 n SER 2 Ca 0.00 0.47 -0.22 0.00 1.01 0.00 0.00 58.87 60.13 1x47 n SER 2 Cb 0.00 -0.82 0.02 0.00 -1.01 0.00 0.00 64.21 62.40 1x47 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x47 s SER 3 N -6.03 5.68 -0.30 6.43 0.01 -1.26 -5.11 113.70 113.13 1x47 s SER 3 Ca -0.24 0.18 -0.05 0.00 1.31 0.00 0.00 55.95 57.16 1x47 s SER 3 Cb 0.04 -1.33 0.16 0.00 0.21 0.00 0.00 66.02 65.10 1x47 s SER 3 CO 0.36 -0.81 0.61 -0.83 0.41 0.00 0.00 173.24 172.98 1x47 s GLY 4 N -4.27 -0.88 -0.29 3.44 0.00 -1.26 -5.14 107.32 98.92 1x47 s GLY 4 Ca 0.51 2.03 -0.15 0.00 0.00 0.00 0.00 44.72 47.11 1x47 s GLY 4 CO 0.38 3.23 0.88 -0.45 0.00 0.00 0.00 173.10 177.14 1x47 s SER 5 N 2.87 -0.70 0.41 1.64 0.15 -1.26 -5.16 113.70 111.65 1x47 s SER 5 Ca 0.10 1.04 -0.23 0.00 0.70 0.00 0.00 55.95 57.56 1x47 s SER 5 Cb -0.14 1.53 -0.09 0.00 -1.71 0.00 0.00 66.02 65.61 1x47 s SER 5 CO -0.20 -0.16 1.01 -0.55 1.20 0.00 0.00 173.24 174.54 1x47 s SER 6 N 1.94 6.83 0.00 5.45 0.15 -1.26 -4.96 113.70 121.85 1x47 s SER 6 Ca -0.07 1.91 0.00 0.00 0.70 0.00 0.00 55.95 58.50 1x47 s SER 6 Cb -0.06 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1x47 s SER 6 CO -0.17 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.44 1x47 n GLY 7 N 0.09 -1.78 3.08 9.45 0.00 -1.26 -5.16 105.19 109.60 1x47 n GLY 7 Ca 0.06 0.79 -0.26 0.00 0.00 0.00 0.00 46.02 46.61 1x47 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x47 s GLU 8 N 0.00 1.87 0.56 1.61 0.41 -1.26 -5.13 118.70 116.76 1x47 s GLU 8 Ca 0.00 -0.52 -0.18 0.00 -0.41 0.00 0.00 54.97 53.86 1x47 s GLU 8 Cb 0.00 -1.54 -0.05 0.00 -1.78 0.00 0.00 34.13 30.75 1x47 s GLU 8 CO 0.00 0.11 1.06 -0.06 -0.49 0.00 0.00 175.26 175.88 1x47 s PHE 9 N 0.43 2.93 -0.55 1.61 0.40 -1.26 -5.02 117.98 116.53 1x47 s PHE 9 Ca -0.12 1.54 0.06 0.00 -0.60 0.00 0.00 56.93 57.81 1x47 s PHE 9 Cb -0.15 -3.07 0.21 0.00 0.51 0.00 0.00 43.02 40.52 1x47 s PHE 9 CO 0.04 -1.11 0.54 0.28 0.70 0.00 0.00 175.22 175.67 1x47 n VAL 10 N -1.61 0.67 -0.42 -0.44 0.31 -1.26 -4.93 118.33 110.66 1x47 n VAL 10 Ca 0.09 -4.45 0.35 0.00 -0.01 0.00 0.00 64.34 60.32 1x47 n VAL 10 Cb 0.52 -1.99 0.66 0.00 -0.91 0.00 0.00 33.84 32.13 1x47 n VAL 10 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1x47 h ILE 11 N 3.54 0.29 -5.69 2.52 -0.00 -2.03 -3.46 117.51 112.68 1x47 h ILE 11 Ca 0.17 -0.05 -0.08 0.00 -0.00 0.00 0.00 64.86 64.91 1x47 h ILE 11 Cb 0.79 0.14 0.00 0.00 -0.00 0.00 0.00 36.82 37.76 1x47 h ILE 11 CO 0.62 0.02 -0.88 -3.20 -0.00 0.00 0.00 178.15 174.70 1x47 n ASN 12 N -4.43 -7.26 0.08 2.16 5.15 -1.26 -4.96 115.26 104.73 1x47 n ASN 12 Ca 0.32 0.65 -0.04 0.00 -0.60 0.00 0.00 54.58 54.91 1x47 n ASN 12 Cb 1.32 -3.96 -0.02 0.00 -0.53 0.00 0.00 39.78 36.59 1x47 n ASN 12 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1x47 h PRO 13 N 2.64 -0.26 -2.45 1.20 0.13 -2.03 -3.46 132.00 127.78 1x47 h PRO 13 Ca -0.11 0.02 -0.26 0.00 -0.87 0.00 0.00 66.00 64.77 1x47 h PRO 13 Cb 0.78 0.06 -0.34 0.00 0.13 0.00 0.00 31.00 31.63 1x47 h PRO 13 CO 0.14 -0.17 -0.58 0.54 -0.23 0.00 0.00 178.00 177.70 1x47 s ASN 14 N -4.61 0.94 0.38 1.44 4.22 -1.26 -5.11 114.94 110.94 1x47 s ASN 14 Ca -0.04 0.02 0.00 0.00 -2.14 0.00 0.00 52.86 50.71 1x47 s ASN 14 Cb 0.00 0.60 0.00 0.00 1.28 0.00 0.00 41.25 43.13 1x47 s ASN 14 CO 0.12 -0.30 0.00 0.61 -2.04 0.00 0.00 177.10 175.48 1x47 n GLY 15 N 5.33 -2.87 3.83 0.45 0.00 -1.26 -4.88 105.19 105.80 1x47 n GLY 15 Ca -0.05 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 1x47 n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x47 s LYS 16 N -3.48 4.15 0.34 1.61 1.02 -1.26 -4.94 119.74 117.18 1x47 s LYS 16 Ca 0.00 0.91 -0.02 0.00 0.02 0.00 0.00 55.97 56.88 1x47 s LYS 16 Cb 0.00 -2.39 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 1x47 s LYS 16 CO 0.00 0.11 0.58 -1.12 -0.92 0.00 0.00 175.35 174.00 1x47 s SER 17 N -2.14 6.35 0.15 2.83 0.01 -1.26 -4.82 113.70 114.82 1x47 s SER 17 Ca 0.56 0.61 -0.30 0.00 1.31 0.00 0.00 55.95 58.13 1x47 s SER 17 Cb -0.11 -2.10 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 1x47 s SER 17 CO 0.16 -0.29 1.55 -0.08 0.41 0.00 0.00 173.24 175.00 1x47 h GLU 18 N 1.06 -0.26 -0.92 12.44 4.57 -1.97 0.78 114.58 130.28 1x47 h GLU 18 Ca -0.49 0.02 0.25 0.00 -1.18 0.00 0.00 59.36 57.96 1x47 h GLU 18 Cb 1.21 0.06 -0.17 0.00 -0.16 0.00 0.00 28.75 29.69 1x47 h GLU 18 CO 0.63 -0.17 0.08 -0.39 -1.18 0.00 0.00 179.01 177.99 1x47 h VAL 19 N -0.27 0.14 0.50 0.32 -1.51 -1.86 1.13 116.25 114.71 1x47 h VAL 19 Ca 0.13 -0.02 -0.02 0.00 -1.23 0.00 0.00 66.70 65.55 1x47 h VAL 19 Cb 0.55 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 29.78 1x47 h VAL 19 CO -0.70 0.01 -0.24 0.00 -1.23 0.00 0.00 177.57 175.41 1x47 h ILE 21 N -0.92 0.00 -0.98 0.00 2.04 0.24 0.82 117.51 118.71 1x47 h ILE 21 Ca -0.07 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.04 1x47 h ILE 21 Cb 0.51 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.41 1x47 h ILE 21 CO 0.11 0.00 -0.05 0.25 0.00 0.00 0.00 178.15 178.46 1x47 h LEU 22 N -0.08 -0.59 -0.24 1.44 7.12 0.12 1.30 115.31 124.38 1x47 h LEU 22 Ca 0.12 0.28 -0.00 0.00 0.13 0.00 0.00 57.88 58.41 1x47 h LEU 22 Cb 0.39 0.51 -0.01 0.00 -0.53 0.00 0.00 40.66 41.02 1x47 h LEU 22 CO -0.73 -0.34 0.14 -0.74 -0.13 0.00 0.00 178.44 176.65 1x47 h HIS 23 N 0.01 0.31 0.15 1.25 2.76 0.93 0.95 115.15 121.51 1x47 h HIS 23 Ca 0.56 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.72 1x47 h HIS 23 Cb 1.07 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.92 1x47 h HIS 23 CO -0.57 0.23 -0.17 0.93 -1.30 0.00 0.00 177.93 177.05 1x47 h GLU 24 N 0.30 -0.32 -1.01 5.26 4.39 0.47 0.61 114.58 124.28 1x47 h GLU 24 Ca 0.08 0.02 0.23 0.00 0.34 0.00 0.00 59.36 60.04 1x47 h GLU 24 Cb 0.01 0.07 -0.12 0.00 -0.10 0.00 0.00 28.75 28.61 1x47 h GLU 24 CO -0.02 -0.21 0.61 -0.92 -1.16 0.00 0.00 179.01 177.31 1x47 h TYR 25 N -0.33 0.99 0.65 4.33 5.03 -0.71 1.48 116.97 128.41 1x47 h TYR 25 Ca -0.02 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.29 1x47 h TYR 25 Cb 0.29 -0.29 0.01 0.00 1.55 0.00 0.00 36.73 38.29 1x47 h TYR 25 CO -0.16 0.11 -0.31 0.52 -1.32 0.00 0.00 178.16 177.00 1x47 h MET 26 N 0.61 -0.84 0.00 1.82 2.86 -0.27 0.33 114.93 119.45 1x47 h MET 26 Ca 0.62 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 58.32 1x47 h MET 26 Cb 1.16 0.19 0.00 0.00 0.06 0.00 0.00 31.60 33.01 1x47 h MET 26 CO -0.43 -0.56 0.00 0.94 1.06 0.00 0.00 176.91 177.92 1x47 n GLN 27 N -4.73 0.19 -0.04 1.72 7.27 0.21 0.21 117.38 122.20 1x47 n GLN 27 Ca -0.11 0.16 -0.22 0.00 0.07 0.00 0.00 57.00 56.90 1x47 n GLN 27 Cb 0.34 -1.50 -0.13 0.00 2.41 0.00 0.00 30.24 31.36 1x47 n GLN 27 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 1x47 h ARG 28 N 0.00 0.14 0.00 3.69 2.43 0.24 -3.18 114.38 117.70 1x47 h ARG 28 Ca 0.00 -0.25 -0.39 0.00 -0.81 0.00 0.00 59.98 58.53 1x47 h ARG 28 Cb 0.15 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 1x47 h ARG 28 CO 0.00 1.12 -2.19 1.33 -1.51 0.00 0.00 179.97 178.72 1x47 n VAL 29 N -3.95 1.53 -0.04 0.20 0.24 0.11 -4.62 118.33 111.80 1x47 n VAL 29 Ca -0.32 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.34 61.57 1x47 n VAL 29 Cb 0.87 -1.95 -0.11 0.00 -1.47 0.00 0.00 33.84 31.18 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 -0.92 1.34 3.38 0.23 -3.49 115.31 114.85 1x47 h LEU 30 Ca -0.59 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 56.64 1x47 h LEU 30 Cb 1.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1x47 h LEU 30 CO -0.36 0.75 0.00 1.17 0.09 0.00 0.00 178.44 180.10 1x47 n LYS 31 N -4.73 0.00 -3.90 1.13 4.81 0.23 -4.92 118.16 110.78 1x47 n LYS 31 Ca -0.09 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.24 1x47 n LYS 31 Cb 0.37 -2.13 -0.12 0.00 0.02 0.00 0.00 35.03 33.17 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 -2.84 0.05 -0.31 3.15 -7.23 -1.25 -4.90 120.40 107.07 1x47 s VAL 32 Ca 0.00 -0.43 -0.25 0.00 -1.81 0.00 0.00 61.98 59.49 1x47 s VAL 32 Cb 0.00 -0.21 0.01 0.00 0.56 0.00 0.00 36.38 36.74 1x47 s VAL 32 CO 0.00 -0.24 0.88 -0.13 -0.31 0.00 0.00 175.10 175.30 1x47 s ARG 33 N -0.73 3.99 0.33 4.82 0.52 -1.26 -3.73 118.95 122.89 1x47 s ARG 33 Ca -0.08 0.74 -0.27 0.00 -0.52 0.00 0.00 55.73 55.60 1x47 s ARG 33 Cb -0.05 -3.73 -0.09 0.00 0.52 0.00 0.00 34.95 31.60 1x47 s ARG 33 CO -0.00 -0.75 1.07 -1.25 0.02 0.00 0.00 175.30 174.39 1x47 s PRO 34 N 3.16 4.45 -0.21 3.54 0.04 -1.26 -4.66 135.00 140.06 1x47 s PRO 34 Ca 0.36 1.66 -0.08 0.00 0.04 0.00 0.00 61.00 62.99 1x47 s PRO 34 Cb -0.14 -2.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 1x47 s PRO 34 CO 0.13 0.08 0.08 0.08 0.04 0.00 0.00 177.00 177.41 1x47 s VAL 35 N -1.37 4.74 -0.45 -0.36 1.01 -0.27 -4.98 120.40 118.72 1x47 s VAL 35 Ca 0.50 -0.04 -0.23 0.00 0.00 0.00 0.00 61.98 62.21 1x47 s VAL 35 Cb -0.27 -3.17 0.03 0.00 0.00 0.00 0.00 36.38 32.96 1x47 s VAL 35 CO 0.35 0.40 0.76 -0.31 0.00 0.00 0.00 175.10 176.30 1x47 s TYR 36 N 0.86 3.00 -0.13 5.22 1.51 -1.26 -0.68 117.35 125.87 1x47 s TYR 36 Ca 0.04 0.11 -0.18 0.00 -1.01 0.00 0.00 57.07 56.03 1x47 s TYR 36 Cb -0.14 -3.61 -0.04 0.00 -0.11 0.00 0.00 41.96 38.07 1x47 s TYR 36 CO 0.03 -0.97 0.48 1.21 -1.11 0.00 0.00 175.55 175.18 1x47 s ASN 37 N 2.13 6.66 0.14 2.29 3.84 0.37 -4.90 114.94 125.47 1x47 s ASN 37 Ca 0.28 0.78 0.07 0.00 0.21 0.00 0.00 52.86 54.21 1x47 s ASN 37 Cb -0.13 -2.28 -0.04 0.00 -0.55 0.00 0.00 41.25 38.25 1x47 s ASN 37 CO 0.22 -0.02 -0.05 -0.36 -2.79 0.00 0.00 177.10 174.10 1x47 s PHE 38 N 0.77 2.80 0.32 0.43 0.08 -1.26 0.19 117.98 121.30 1x47 s PHE 38 Ca 0.25 -0.14 -0.18 0.00 0.12 0.00 0.00 56.93 56.99 1x47 s PHE 38 Cb -0.15 -1.41 0.06 0.00 -0.57 0.00 0.00 43.02 40.95 1x47 s PHE 38 CO 0.10 0.48 0.85 -0.59 -0.10 0.00 0.00 175.22 175.96 1x47 s PHE 39 N -1.49 0.08 0.31 0.36 -0.71 -0.75 -4.93 117.98 110.85 1x47 s PHE 39 Ca 0.25 -0.66 0.06 0.00 -1.04 0.00 0.00 56.93 55.54 1x47 s PHE 39 Cb -0.10 0.79 -0.02 0.00 -1.21 0.00 0.00 43.02 42.48 1x47 s PHE 39 CO 0.16 -1.36 0.41 -1.21 -1.34 0.00 0.00 175.22 171.88 1x47 s GLU 40 N -2.42 3.12 0.09 1.99 0.41 -1.26 -2.99 118.70 117.63 1x47 s GLU 40 Ca 0.17 -1.01 0.07 0.00 -0.41 0.00 0.00 54.97 53.79 1x47 s GLU 40 Cb -0.04 -2.77 -0.04 0.00 -1.78 0.00 0.00 34.13 29.50 1x47 s GLU 40 CO 0.09 0.16 -0.10 0.00 -0.49 0.00 0.00 175.26 174.92 1x47 h GLU 42 N 3.80 0.00 -5.86 0.00 4.22 -1.94 -3.44 114.58 111.36 1x47 h GLU 42 Ca -0.49 0.00 -0.63 0.00 0.08 0.00 0.00 59.36 58.32 1x47 h GLU 42 Cb 1.17 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.36 1x47 h GLU 42 CO 0.52 0.05 -0.41 1.21 -2.18 0.00 0.00 179.01 178.20 1x47 s ASN 43 N -6.01 6.47 0.32 1.04 2.47 -1.26 -4.99 114.94 112.97 1x47 s ASN 43 Ca 0.04 0.53 0.16 0.00 0.42 0.00 0.00 52.86 54.01 1x47 s ASN 43 Cb 0.07 -2.08 0.40 0.00 -1.45 0.00 0.00 41.25 38.20 1x47 s ASN 43 CO 0.62 0.27 1.60 1.55 -3.72 0.00 0.00 177.10 177.43 1x47 h PRO 44 N 4.09 0.00 -0.64 0.43 0.13 -2.01 -3.32 132.00 130.68 1x47 h PRO 44 Ca -0.50 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.69 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 0.49 -0.42 1.03 -0.23 0.00 0.00 178.00 179.52 1x47 h SER 45 N 0.00 -1.53 -3.29 1.44 0.87 -1.97 -3.31 113.55 105.76 1x47 h SER 45 Ca -0.00 0.23 -0.60 0.00 -1.23 0.00 0.00 61.79 60.18 1x47 h SER 45 Cb 1.13 0.67 -0.40 0.00 -0.44 0.00 0.00 62.40 63.36 1x47 h SER 45 CO 0.06 -0.19 -0.76 -1.61 -0.53 0.00 0.00 176.83 173.80 1x47 s GLU 46 N -4.84 1.03 0.48 2.24 2.02 -1.25 -4.67 118.70 113.71 1x47 s GLU 46 Ca -0.09 -1.66 0.27 0.00 0.02 0.00 0.00 54.97 53.51 1x47 s GLU 46 Cb 0.08 -2.11 0.81 0.00 0.10 0.00 0.00 34.13 33.00 1x47 s GLU 46 CO 0.45 -1.12 1.78 -1.00 0.02 0.00 0.00 175.26 175.39 1x47 h PRO 47 N 7.15 0.00 -6.27 0.39 0.13 -1.67 -3.41 132.00 128.31 1x47 h PRO 47 Ca -0.04 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.51 1x47 h PRO 47 Cb 0.96 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.99 1x47 h PRO 47 CO 0.45 0.06 0.77 -0.06 -0.23 0.00 0.00 178.00 178.99 1x47 s PHE 48 N -3.43 2.73 0.02 1.56 0.40 -1.20 -3.13 117.98 114.92 1x47 s PHE 48 Ca 0.04 0.28 0.05 0.00 -0.60 0.00 0.00 56.93 56.70 1x47 s PHE 48 Cb 0.07 -4.28 -0.02 0.00 0.51 0.00 0.00 43.02 39.31 1x47 s PHE 48 CO 0.62 -1.42 -0.16 0.20 0.70 0.00 0.00 175.22 175.16 1x47 s GLY 49 N 2.79 0.85 0.05 4.36 0.00 -1.16 -0.20 107.32 114.00 1x47 s GLY 49 Ca 0.38 -0.80 -0.09 0.00 0.00 0.00 0.00 44.72 44.21 1x47 s GLY 49 CO 0.24 -0.73 0.19 0.00 0.00 0.00 0.00 173.10 172.80 1x47 s ALA 50 N -0.61 -0.32 0.12 3.20 0.00 -0.16 -1.82 121.76 122.17 1x47 s ALA 50 Ca 0.05 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.68 1x47 s ALA 50 Cb -0.07 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 1x47 s ALA 50 CO 0.00 -0.38 -0.05 -1.54 0.00 0.00 0.00 175.76 173.80 1x47 s SER 51 N -2.19 1.18 -0.38 0.00 1.04 0.49 -1.43 113.70 112.41 1x47 s SER 51 Ca -0.04 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1x47 s SER 51 Cb -0.00 0.10 0.11 0.00 0.10 0.00 0.00 66.02 66.32 1x47 s SER 51 CO -0.05 -0.49 0.14 -0.69 0.98 0.00 0.00 173.24 173.13 1x47 s VAL 52 N -3.62 2.82 -0.24 5.02 1.01 0.11 -0.48 120.40 125.03 1x47 s VAL 52 Ca 0.15 -2.22 -0.16 0.00 0.00 0.00 0.00 61.98 59.75 1x47 s VAL 52 Cb 0.05 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1x47 s VAL 52 CO -0.02 -0.65 0.43 0.42 0.00 0.00 0.00 175.10 175.27 1x47 s THR 53 N 0.99 5.15 -0.53 3.92 -4.23 0.15 -1.96 115.64 119.14 1x47 s THR 53 Ca 0.10 0.73 -0.17 0.00 -1.18 0.00 0.00 61.69 61.17 1x47 s THR 53 Cb -0.21 -3.75 0.10 0.00 1.34 0.00 0.00 72.50 69.97 1x47 s THR 53 CO -0.06 0.18 0.53 -0.63 -0.54 0.00 0.00 174.62 174.09 1x47 s ILE 54 N 1.81 5.10 -0.90 2.99 1.01 0.49 -1.11 121.20 130.59 1x47 s ILE 54 Ca 0.19 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 59.70 1x47 s ILE 54 Cb -0.15 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.02 1x47 s ILE 54 CO 0.09 -0.83 0.00 -0.67 0.00 0.00 0.00 174.94 173.53 1x47 n ASP 55 N 5.57 -5.34 0.00 3.58 2.03 -1.26 -0.91 116.55 120.22 1x47 n ASP 55 Ca -0.12 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1x47 n ASP 55 Cb 0.42 -3.58 0.00 0.00 -0.72 0.00 0.00 41.12 37.24 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 -0.19 0.91 3.67 0.27 0.00 -1.26 -5.07 105.19 103.52 1x47 n GLY 56 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.35 4.32 0.34 1.61 1.01 -0.09 -4.91 120.40 121.33 1x47 s VAL 57 Ca 0.00 1.61 -0.26 0.00 0.00 0.00 0.00 61.98 63.33 1x47 s VAL 57 Cb 0.00 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 1x47 s VAL 57 CO 0.00 -0.10 1.01 -0.89 0.00 0.00 0.00 175.10 175.11 1x47 s THR 58 N 3.13 3.89 0.00 3.92 2.01 -1.26 0.19 115.64 127.51 1x47 s THR 58 Ca 0.54 1.60 0.00 0.00 0.31 0.00 0.00 61.69 64.14 1x47 s THR 58 Cb -0.22 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.39 1x47 s THR 58 CO 0.16 0.15 0.00 -1.22 -0.69 0.00 0.00 174.62 173.02 1x47 n TYR 59 N 0.49 0.00 -3.44 4.92 4.02 -0.83 -4.89 117.16 117.43 1x47 n TYR 59 Ca 0.02 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.54 1x47 n TYR 59 Cb 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.74 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 -1.49 2.21 -0.01 2.72 0.00 -1.25 -4.77 107.32 104.73 1x47 s GLY 60 Ca 0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 44.72 44.15 1x47 s GLY 60 CO 0.00 0.63 0.30 -1.35 0.00 0.00 0.00 173.10 172.67 1x47 s SER 61 N 0.69 -0.17 0.00 1.64 1.04 -1.26 0.10 113.70 115.74 1x47 s SER 61 Ca 0.19 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1x47 s SER 61 Cb -0.14 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1x47 s SER 61 CO 0.06 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.44 1x47 n GLY 62 N 1.24 -0.57 3.48 7.32 0.00 -0.51 -4.77 105.19 111.38 1x47 n GLY 62 Ca -0.21 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.62 1x47 n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x47 s THR 63 N -2.00 0.70 0.16 2.61 -4.23 -1.26 -0.99 115.64 110.63 1x47 s THR 63 Ca 0.00 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 1x47 s THR 63 Cb 0.00 -2.47 0.05 0.00 1.34 0.00 0.00 72.50 71.42 1x47 s THR 63 CO 0.00 0.00 0.70 0.00 -0.54 0.00 0.00 174.62 174.78 1x47 n ALA 64 N -0.82 -1.79 0.18 3.99 0.00 0.72 -4.69 120.51 118.11 1x47 n ALA 64 Ca -0.04 -0.77 0.07 0.00 0.00 0.00 0.00 53.44 52.69 1x47 n ALA 64 Cb 0.65 0.48 0.16 0.00 0.00 0.00 0.00 19.45 20.74 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 1.41 0.00 -1.99 0.00 0.02 -1.85 -3.18 113.55 107.96 1x47 h SER 65 Ca -0.21 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.14 1x47 h SER 65 Cb 0.87 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.28 1x47 h SER 65 CO 0.27 0.31 -0.68 -0.55 -1.14 0.00 0.00 176.83 175.05 1x47 s SER 66 N -6.33 3.85 0.00 3.07 0.15 -1.26 -4.82 113.70 108.35 1x47 s SER 66 Ca 0.04 -1.10 -0.23 0.00 0.70 0.00 0.00 55.95 55.36 1x47 s SER 66 Cb 0.07 -0.40 -0.18 0.00 -1.71 0.00 0.00 66.02 63.80 1x47 s SER 66 CO 0.70 -0.16 1.28 0.50 1.20 0.00 0.00 173.24 176.76 1x47 h LYS 67 N 2.01 0.16 -0.08 5.44 3.64 -1.91 -2.92 116.57 122.91 1x47 h LYS 67 Ca -0.42 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 58.90 1x47 h LYS 67 Cb 1.25 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.02 1x47 h LYS 67 CO 0.67 0.63 -0.45 -0.22 -2.27 0.00 0.00 179.45 177.81 1x47 h LYS 68 N -0.29 -0.54 -0.83 1.90 3.64 -1.98 0.22 116.57 118.70 1x47 h LYS 68 Ca 0.01 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.59 1x47 h LYS 68 Cb 0.61 0.12 -0.16 0.00 -0.41 0.00 0.00 32.23 32.39 1x47 h LYS 68 CO 0.02 -0.36 -0.22 -0.07 -2.27 0.00 0.00 179.45 176.56 1x47 h LEU 69 N -0.56 -0.80 0.37 5.20 -0.00 -1.97 1.55 115.31 119.11 1x47 h LEU 69 Ca 0.05 0.25 -0.01 0.00 -0.00 0.00 0.00 57.88 58.18 1x47 h LEU 69 Cb 0.66 0.52 -0.02 0.00 -0.00 0.00 0.00 40.66 41.82 1x47 h LEU 69 CO -0.38 -0.28 -0.32 0.00 -0.00 0.00 0.00 178.44 177.47 1x47 h ALA 70 N 1.79 -0.71 -0.78 1.53 0.00 -0.90 1.35 119.26 121.55 1x47 h ALA 70 Ca 0.39 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.30 1x47 h ALA 70 Cb 0.60 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1x47 h ALA 70 CO -0.85 -0.93 0.51 -0.22 0.00 0.00 0.00 179.25 177.76 1x47 h LYS 71 N -0.70 0.58 0.42 0.00 3.64 0.26 0.31 116.57 121.07 1x47 h LYS 71 Ca -0.03 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1x47 h LYS 71 Cb 0.61 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1x47 h LYS 71 CO -0.03 0.38 -0.20 -0.97 -2.27 0.00 0.00 179.45 176.36 1x47 h ASN 72 N 0.60 -0.48 -0.59 4.20 -1.24 0.32 -2.83 115.58 115.56 1x47 h ASN 72 Ca 0.37 -0.08 0.12 0.00 0.71 0.00 0.00 56.30 57.42 1x47 h ASN 72 Cb 0.63 0.12 -0.11 0.00 0.73 0.00 0.00 38.32 39.69 1x47 h ASN 72 CO -0.14 -0.05 -0.14 0.11 -1.29 0.00 0.00 177.43 175.92 1x47 h LYS 73 N -1.05 0.00 -0.91 6.67 1.57 0.24 1.60 116.57 124.70 1x47 h LYS 73 Ca -0.06 -0.00 0.23 0.00 -1.87 0.00 0.00 60.65 58.95 1x47 h LYS 73 Cb 0.53 -0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.71 1x47 h LYS 73 CO 0.09 0.00 0.40 0.00 -0.57 0.00 0.00 179.45 179.38 1x47 h ALA 74 N 1.59 1.47 0.06 3.86 0.00 -0.44 1.26 119.26 127.05 1x47 h ALA 74 Ca 0.28 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 1x47 h ALA 74 Cb 0.43 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1x47 h ALA 74 CO -0.60 -0.36 -0.03 0.00 0.00 0.00 0.00 179.25 178.26 1x47 h ALA 75 N 1.72 -0.08 -1.49 0.00 0.00 0.22 -2.83 119.26 116.81 1x47 h ALA 75 Ca 0.57 -0.02 0.44 0.00 0.00 0.00 0.00 54.91 55.91 1x47 h ALA 75 Cb 1.11 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 1x47 h ALA 75 CO -0.54 -0.08 1.04 -0.09 0.00 0.00 0.00 179.25 179.58 1x47 h ARG 76 N -0.96 0.05 0.17 0.00 2.43 0.26 0.72 114.38 117.05 1x47 h ARG 76 Ca -0.01 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1x47 h ARG 76 Cb 0.06 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1x47 h ARG 76 CO 0.01 0.04 -0.08 0.00 -1.51 0.00 0.00 179.97 178.43 1x47 h ALA 77 N 1.34 -0.23 -0.61 2.80 0.00 0.15 -1.67 119.26 121.05 1x47 h ALA 77 Ca 0.77 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.50 1x47 h ALA 77 Cb 2.82 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 20.64 1x47 h ALA 77 CO -0.14 -0.36 0.34 1.15 0.00 0.00 0.00 179.25 180.23 1x47 h THR 78 N -0.76 0.98 -0.86 0.00 2.02 0.47 0.58 112.91 115.34 1x47 h THR 78 Ca -0.02 -0.22 0.04 0.00 0.77 0.00 0.00 66.41 66.98 1x47 h THR 78 Cb 0.52 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.17 1x47 h THR 78 CO 0.04 0.12 0.55 -0.07 0.37 0.00 0.00 175.52 176.53 1x47 h LEU 79 N 0.64 0.90 -0.57 2.58 3.38 -0.31 -1.43 115.31 120.50 1x47 h LEU 79 Ca 0.27 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 1x47 h LEU 79 Cb 0.14 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1x47 h LEU 79 CO -0.16 0.61 0.18 -0.33 0.09 0.00 0.00 178.44 178.82 1x47 h GLU 80 N 1.05 0.88 0.42 1.13 4.39 -0.23 1.15 114.58 123.37 1x47 h GLU 80 Ca 0.35 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 1x47 h GLU 80 Cb 0.06 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1x47 h GLU 80 CO -0.13 0.80 -0.51 0.82 -1.16 0.00 0.00 179.01 178.82 1x47 h ILE 81 N 0.79 0.00 0.64 3.13 2.04 0.06 -3.16 117.51 121.02 1x47 h ILE 81 Ca 0.18 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 1x47 h ILE 81 Cb 0.28 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1x47 h ILE 81 CO -0.01 0.00 -0.31 -0.07 0.00 0.00 0.00 178.15 177.77 1x47 h LEU 82 N -0.95 -0.73 -8.71 1.44 4.07 -1.24 -3.40 115.31 105.79 1x47 h LEU 82 Ca -0.05 -0.01 -0.64 0.00 0.08 0.00 0.00 57.88 57.26 1x47 h LEU 82 Cb 0.85 0.19 -0.14 0.00 1.08 0.00 0.00 40.66 42.64 1x47 h LEU 82 CO -0.12 -0.37 0.16 -0.63 -1.08 0.00 0.00 178.44 176.41 1x47 s ILE 83 N -4.79 4.85 0.05 1.22 1.01 0.39 -4.93 121.20 119.01 1x47 s ILE 83 Ca -0.14 0.44 -0.17 0.00 0.00 0.00 0.00 60.65 60.77 1x47 s ILE 83 Cb 0.02 -4.14 -0.21 0.00 0.01 0.00 0.00 42.46 38.14 1x47 s ILE 83 CO 0.46 -0.43 1.18 1.55 0.00 0.00 0.00 174.94 177.70 1x47 h PRO 84 N 8.63 0.57 0.00 2.79 0.13 -1.77 -3.30 132.00 139.05 1x47 h PRO 84 Ca -0.26 -0.55 0.00 0.00 -0.87 0.00 0.00 66.00 64.32 1x47 h PRO 84 Cb 1.10 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x47 h PRO 84 CO 0.86 1.18 -0.02 -0.44 -0.23 0.00 0.00 178.00 179.35 1x47 h ASP 85 N 0.17 0.00 -1.21 1.44 5.19 -1.91 -3.47 116.42 116.62 1x47 h ASP 85 Ca -0.08 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.03 1x47 h ASP 85 Cb 1.40 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.79 1x47 h ASP 85 CO 0.15 0.08 -0.27 0.33 -3.12 0.00 0.00 179.24 176.41 1x47 n PHE 86 N -2.47 -0.26 -4.43 4.55 7.35 -1.26 -4.92 117.46 116.03 1x47 n PHE 86 Ca -0.00 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.47 1x47 n PHE 86 Cb 0.01 -2.77 -0.10 0.00 0.35 0.00 0.00 39.48 36.97 1x47 n PHE 86 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1x47 s VAL 87 N -2.23 2.10 -0.01 -2.13 1.01 -1.26 -5.08 120.40 112.80 1x47 s VAL 87 Ca 0.00 -2.29 -0.04 0.00 0.00 0.00 0.00 61.98 59.65 1x47 s VAL 87 Cb 0.00 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1x47 s VAL 87 CO 0.00 -0.44 -0.08 1.17 0.00 0.00 0.00 175.10 175.75 1x47 n LYS 88 N -0.55 0.12 0.21 2.72 4.81 -1.26 -5.08 118.16 119.14 1x47 n LYS 88 Ca -0.06 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1x47 n LYS 88 Cb 0.61 -0.59 0.00 0.00 0.02 0.00 0.00 35.03 35.07 1x47 n LYS 88 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1x47 n GLN 89 N -3.28 0.00 -3.56 1.64 6.02 -1.26 -5.09 117.38 111.85 1x47 n GLN 89 Ca -0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.56 1x47 n GLN 89 Cb 0.12 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.27 1x47 n GLN 89 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1x47 s THR 90 N -2.00 5.23 0.22 5.09 2.01 -1.26 -4.70 115.64 120.23 1x47 s THR 90 Ca 0.00 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.86 1x47 s THR 90 Cb 0.00 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.87 1x47 s THR 90 CO 0.00 0.06 0.00 -0.24 -0.69 0.00 0.00 174.62 173.75 1x47 n SER 91 N 5.08 -1.97 -3.07 3.53 2.88 -1.26 -5.10 113.62 113.72 1x47 n SER 91 Ca -0.13 0.64 0.04 0.00 -1.33 0.00 0.00 58.87 58.09 1x47 n SER 91 Cb 0.50 2.07 0.00 0.00 -0.75 0.00 0.00 64.21 66.03 1x47 n SER 91 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1x47 s GLU 92 N -2.00 0.26 -0.14 -1.46 -6.30 -1.26 -5.15 118.70 102.64 1x47 s GLU 92 Ca 0.00 0.12 -0.02 0.00 -2.50 0.00 0.00 54.97 52.57 1x47 s GLU 92 Cb 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 34.13 34.19 1x47 s GLU 92 CO 0.00 -0.44 -0.08 -1.54 0.02 0.00 0.00 175.26 173.22 1x47 s SER 93 N 2.63 4.44 0.00 -1.70 1.04 -1.26 -5.06 113.70 113.79 1x47 s SER 93 Ca 0.21 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1x47 s SER 93 Cb -0.02 -1.70 0.00 0.00 0.10 0.00 0.00 66.02 64.40 1x47 s SER 93 CO -0.20 0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1x47 n GLY 94 N 3.50 3.54 0.14 7.32 0.00 -1.26 -5.04 105.19 113.39 1x47 n GLY 94 Ca -0.18 -0.90 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 1x47 n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x47 h PRO 95 N 0.00 -0.23 -2.99 1.61 0.13 -2.10 -3.50 132.00 124.91 1x47 h PRO 95 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1x47 h PRO 95 Cb 0.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1x47 h PRO 95 CO 0.00 0.07 -0.72 0.45 -0.23 0.00 0.00 178.00 177.56 1x47 n SER 96 N -4.92 -7.24 -4.22 1.44 2.88 -1.26 -5.01 113.62 95.28 1x47 n SER 96 Ca -0.06 1.00 -0.27 0.00 -1.33 0.00 0.00 58.87 58.21 1x47 n SER 96 Cb 0.20 -3.60 -0.16 0.00 -0.75 0.00 0.00 64.21 59.91 1x47 n SER 96 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x47 s SER 97 N -2.68 2.42 0.00 -3.46 0.01 -1.26 -5.31 113.70 103.42 1x47 s SER 97 Ca 0.00 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1x47 s SER 97 Cb 0.00 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.94 1x47 s SER 97 CO 0.00 0.25 0.34 0.61 0.41 0.00 0.00 173.24 174.85