#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 -1.32 -0.05 1.61 0.01 -1.26 -5.15 113.70 107.54 1x47 s SER 2 Ca 0.00 0.38 0.02 0.00 1.31 0.00 0.00 55.95 57.65 1x47 s SER 2 Cb 0.00 1.93 0.02 0.00 0.21 0.00 0.00 66.02 68.17 1x47 s SER 2 CO 0.00 -0.24 -0.08 -0.44 0.41 0.00 0.00 173.24 172.89 1x47 s SER 3 N 2.86 1.28 0.00 2.44 0.01 -1.26 -5.10 113.70 113.93 1x47 s SER 3 Ca 0.14 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.20 1x47 s SER 3 Cb -0.10 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.53 1x47 s SER 3 CO -0.23 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1x47 n GLY 4 N 3.89 3.97 3.58 3.44 0.00 -1.26 -5.18 105.19 113.63 1x47 n GLY 4 Ca -0.24 -1.63 0.03 0.00 0.00 0.00 0.00 46.02 44.18 1x47 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x47 s SER 5 N 0.00 -0.03 -0.22 1.61 1.04 -1.26 -5.11 113.70 109.73 1x47 s SER 5 Ca 0.00 -0.06 -0.09 0.00 0.48 0.00 0.00 55.95 56.28 1x47 s SER 5 Cb 0.00 0.07 0.09 0.00 0.10 0.00 0.00 66.02 66.29 1x47 s SER 5 CO 0.00 -0.13 0.49 -0.44 0.98 0.00 0.00 173.24 174.14 1x47 s SER 6 N -2.97 -0.54 -0.20 7.02 0.01 -1.26 -5.16 113.70 110.60 1x47 s SER 6 Ca 0.15 1.14 -0.31 0.00 1.31 0.00 0.00 55.95 58.24 1x47 s SER 6 Cb 0.06 1.47 0.15 0.00 0.21 0.00 0.00 66.02 67.91 1x47 s SER 6 CO -0.06 -0.22 1.17 -0.83 0.41 0.00 0.00 173.24 173.71 1x47 s GLY 7 N 2.40 -0.16 0.17 3.44 0.00 -1.26 -4.71 107.32 107.21 1x47 s GLY 7 Ca -0.05 2.15 0.02 0.00 0.00 0.00 0.00 44.72 46.85 1x47 s GLY 7 CO -0.15 0.90 -0.00 1.85 0.00 0.00 0.00 173.10 175.71 1x47 s GLU 8 N -1.49 1.12 0.19 2.90 2.56 -1.26 -5.12 118.70 117.60 1x47 s GLU 8 Ca 0.05 -1.54 0.08 0.00 0.00 0.00 0.00 54.97 53.56 1x47 s GLU 8 Cb -0.01 -0.29 -0.04 0.00 2.00 0.00 0.00 34.13 35.79 1x47 s GLU 8 CO -0.04 -0.12 -0.01 -0.59 -0.56 0.00 0.00 175.26 173.94 1x47 s PHE 9 N -3.64 2.80 -0.22 5.30 -0.71 -1.26 -5.11 117.98 115.14 1x47 s PHE 9 Ca 0.24 -0.16 -0.06 0.00 -1.04 0.00 0.00 56.93 55.91 1x47 s PHE 9 Cb 0.06 -1.34 -0.02 0.00 -1.21 0.00 0.00 43.02 40.51 1x47 s PHE 9 CO 0.04 0.53 0.02 0.08 -1.34 0.00 0.00 175.22 174.55 1x47 s VAL 10 N -1.81 4.05 0.17 -2.49 1.01 -1.26 -5.06 120.40 115.01 1x47 s VAL 10 Ca 0.28 -0.27 -0.34 0.00 0.00 0.00 0.00 61.98 61.65 1x47 s VAL 10 Cb -0.09 -2.85 -0.14 0.00 0.00 0.00 0.00 36.38 33.30 1x47 s VAL 10 CO 0.18 0.40 1.59 2.30 0.00 0.00 0.00 175.10 179.57 1x47 n ILE 11 N 4.48 0.03 -3.76 2.22 -6.64 -1.26 -4.96 119.36 109.48 1x47 n ILE 11 Ca -0.17 -0.01 -0.35 0.00 -1.77 0.00 0.00 62.75 60.45 1x47 n ILE 11 Cb 0.52 -1.59 -0.05 0.00 -1.44 0.00 0.00 39.64 37.07 1x47 n ILE 11 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 1x47 s ASN 12 N 0.92 6.51 0.03 7.28 4.22 -1.26 -5.01 114.94 127.63 1x47 s ASN 12 Ca 0.78 0.58 -0.18 0.00 -2.14 0.00 0.00 52.86 51.91 1x47 s ASN 12 Cb -0.66 -2.10 -0.21 0.00 1.28 0.00 0.00 41.25 39.56 1x47 s ASN 12 CO 0.38 0.29 1.17 1.55 -2.04 0.00 0.00 177.10 178.44 1x47 h PRO 13 N 4.26 0.52 0.00 3.55 0.13 -2.03 -3.47 132.00 134.96 1x47 h PRO 13 Ca -0.51 -0.51 0.00 0.00 -0.87 0.00 0.00 66.00 64.11 1x47 h PRO 13 Cb 1.21 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1x47 h PRO 13 CO 0.64 1.14 0.00 -1.71 -0.23 0.00 0.00 178.00 177.84 1x47 n ASN 14 N -4.14 -1.10 -4.83 1.44 2.85 -1.26 -5.14 115.26 103.08 1x47 n ASN 14 Ca -0.10 0.30 -0.32 0.00 -0.11 0.00 0.00 54.58 54.35 1x47 n ASN 14 Cb 0.69 1.28 -0.01 0.00 1.24 0.00 0.00 39.78 42.98 1x47 n ASN 14 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1x47 s GLY 15 N -2.00 2.06 0.17 8.20 0.00 -1.26 -5.07 107.32 109.42 1x47 s GLY 15 Ca 0.00 0.25 0.05 0.00 0.00 0.00 0.00 44.72 45.02 1x47 s GLY 15 CO 0.00 0.55 0.17 -1.59 0.00 0.00 0.00 173.10 172.23 1x47 s LYS 16 N -4.14 3.02 0.53 2.90 0.00 -1.26 -4.88 119.74 115.90 1x47 s LYS 16 Ca 0.61 -0.82 0.05 0.00 0.00 0.00 0.00 55.97 55.80 1x47 s LYS 16 Cb -0.12 -2.71 0.02 0.00 0.00 0.00 0.00 37.83 35.02 1x47 s LYS 16 CO 0.35 0.49 0.32 0.45 0.00 0.00 0.00 175.35 176.95 1x47 s SER 17 N -3.17 4.54 0.09 0.03 0.15 -1.26 -4.93 113.70 109.13 1x47 s SER 17 Ca 0.32 -1.30 -0.35 0.00 0.70 0.00 0.00 55.95 55.32 1x47 s SER 17 Cb -0.10 0.37 -0.16 0.00 -1.71 0.00 0.00 66.02 64.41 1x47 s SER 17 CO 0.25 -1.02 1.58 -0.08 1.20 0.00 0.00 173.24 175.17 1x47 h GLU 18 N 0.90 -0.94 -0.82 5.44 4.57 -1.98 0.52 114.58 122.27 1x47 h GLU 18 Ca -0.39 0.06 0.14 0.00 -1.18 0.00 0.00 59.36 58.00 1x47 h GLU 18 Cb 1.30 0.21 -0.15 0.00 -0.16 0.00 0.00 28.75 29.96 1x47 h GLU 18 CO 0.61 -0.62 -0.32 -0.39 -1.18 0.00 0.00 179.01 177.11 1x47 h VAL 19 N -0.97 0.10 0.86 0.32 -1.51 -1.87 0.84 116.25 114.02 1x47 h VAL 19 Ca -0.06 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.37 1x47 h VAL 19 Cb 0.83 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.09 1x47 h VAL 19 CO -0.02 0.00 -0.47 0.00 -1.23 0.00 0.00 177.57 175.85 1x47 h ILE 21 N -1.22 0.00 -0.98 0.00 2.04 0.22 0.67 117.51 118.23 1x47 h ILE 21 Ca -0.12 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.86 1x47 h ILE 21 Cb 0.96 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.90 1x47 h ILE 21 CO 0.16 0.00 -0.49 0.25 0.00 0.00 0.00 178.15 178.08 1x47 h LEU 22 N -0.06 -1.79 -0.01 1.44 7.12 0.69 0.45 115.31 123.16 1x47 h LEU 22 Ca 0.10 0.32 0.03 0.00 0.13 0.00 0.00 57.88 58.46 1x47 h LEU 22 Cb 0.33 0.85 -0.04 0.00 -0.53 0.00 0.00 40.66 41.27 1x47 h LEU 22 CO -0.64 -0.26 -0.24 -0.74 -0.13 0.00 0.00 178.44 176.42 1x47 h HIS 23 N -0.01 -0.65 0.00 1.25 2.76 0.35 0.31 115.15 119.17 1x47 h HIS 23 Ca 0.25 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 1x47 h HIS 23 Cb 0.51 0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.76 1x47 h HIS 23 CO -0.94 -0.33 0.00 -1.91 -1.30 0.00 0.00 177.93 173.45 1x47 n GLU 24 N -5.36 0.00 -0.34 5.26 2.13 0.20 0.16 120.64 122.68 1x47 n GLU 24 Ca -0.05 0.83 0.18 0.00 0.66 0.00 0.00 57.16 58.78 1x47 n GLU 24 Cb 0.28 -1.48 0.40 0.00 0.27 0.00 0.00 31.44 30.91 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 0.94 0.60 4.31 5.03 -0.53 1.05 116.97 128.37 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 -0.27 0.01 0.00 1.55 0.00 0.00 36.73 38.01 1x47 h TYR 25 CO -0.55 0.09 -0.29 0.52 -1.32 0.00 0.00 178.16 176.61 1x47 h MET 26 N 0.57 -0.77 0.00 1.82 2.86 0.13 1.45 114.93 120.98 1x47 h MET 26 Ca 0.62 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.32 1x47 h MET 26 Cb 1.23 0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.07 1x47 h MET 26 CO -0.42 -0.47 0.00 0.94 1.06 0.00 0.00 176.91 178.02 1x47 n GLN 27 N -5.38 0.20 -0.10 1.72 7.27 0.41 0.19 117.38 121.69 1x47 n GLN 27 Ca -0.12 0.13 -0.22 0.00 0.07 0.00 0.00 57.00 56.85 1x47 n GLN 27 Cb 0.35 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.38 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 -1.34 0.65 -0.04 3.69 0.63 0.35 -3.73 116.66 116.87 1x47 n ARG 28 Ca 0.08 0.27 -0.04 0.00 -0.92 0.00 0.00 57.85 57.24 1x47 n ARG 28 Cb 0.17 -1.59 -0.01 0.00 0.45 0.00 0.00 32.46 31.47 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 -3.73 0.83 -0.19 5.15 0.31 0.49 -4.54 118.33 116.65 1x47 n VAL 29 Ca -0.43 0.32 -0.08 0.00 -0.01 0.00 0.00 64.34 64.14 1x47 n VAL 29 Cb 0.93 -2.00 0.02 0.00 -0.91 0.00 0.00 33.84 31.88 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 -0.57 0.76 -1.62 7.52 3.38 -0.09 -3.47 115.31 121.22 1x47 h LEU 30 Ca 0.00 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1x47 h LEU 30 Cb 0.40 -0.20 0.03 0.00 0.09 0.00 0.00 40.66 40.98 1x47 h LEU 30 CO 0.00 0.74 -0.15 0.29 0.09 0.00 0.00 178.44 179.41 1x47 n LYS 31 N -4.49 -1.42 -3.74 1.13 5.02 0.50 -4.95 118.16 110.20 1x47 n LYS 31 Ca 0.02 0.17 -0.13 0.00 -2.02 0.00 0.00 58.31 56.35 1x47 n LYS 31 Cb 0.18 -3.18 -0.09 0.00 -0.02 0.00 0.00 35.03 31.92 1x47 n LYS 31 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1x47 s VAL 32 N -3.07 0.03 -0.33 -0.18 -7.23 -1.23 -4.92 120.40 103.47 1x47 s VAL 32 Ca 0.04 -0.29 -0.25 0.00 -1.81 0.00 0.00 61.98 59.67 1x47 s VAL 32 Cb -0.02 -0.60 0.01 0.00 0.56 0.00 0.00 36.38 36.33 1x47 s VAL 32 CO 0.15 -0.16 0.88 -0.13 -0.31 0.00 0.00 175.10 175.53 1x47 s ARG 33 N -0.79 3.93 0.70 4.82 0.52 -1.26 -3.69 118.95 123.18 1x47 s ARG 33 Ca -0.09 0.65 -0.11 0.00 -0.52 0.00 0.00 55.73 55.66 1x47 s ARG 33 Cb -0.04 -3.76 0.01 0.00 0.52 0.00 0.00 34.95 31.69 1x47 s ARG 33 CO 0.03 -0.81 1.06 -1.25 0.02 0.00 0.00 175.30 174.36 1x47 s PRO 34 N 3.24 2.86 -0.06 3.54 0.04 -1.26 -4.61 135.00 138.74 1x47 s PRO 34 Ca 0.36 0.93 0.04 0.00 0.04 0.00 0.00 61.00 62.37 1x47 s PRO 34 Cb -0.13 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.42 1x47 s PRO 34 CO 0.15 -1.15 -0.20 0.08 0.04 0.00 0.00 177.00 175.93 1x47 s VAL 35 N -3.06 1.65 -0.41 -0.36 1.01 0.56 -4.99 120.40 114.80 1x47 s VAL 35 Ca 0.58 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 61.55 1x47 s VAL 35 Cb -0.14 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.83 1x47 s VAL 35 CO 0.55 0.47 0.53 -0.31 0.00 0.00 0.00 175.10 176.33 1x47 s TYR 36 N 0.14 3.14 -0.22 5.22 1.51 -1.26 0.12 117.35 125.99 1x47 s TYR 36 Ca -0.08 -0.12 -0.19 0.00 -1.01 0.00 0.00 57.07 55.67 1x47 s TYR 36 Cb -0.14 -3.06 -0.03 0.00 -0.11 0.00 0.00 41.96 38.62 1x47 s TYR 36 CO 0.04 -0.72 0.53 -0.80 -1.11 0.00 0.00 175.55 173.50 1x47 s ASN 37 N 1.87 6.53 0.07 2.29 0.01 0.81 -4.88 114.94 121.64 1x47 s ASN 37 Ca 0.17 0.64 0.07 0.00 -0.71 0.00 0.00 52.86 53.03 1x47 s ASN 37 Cb -0.16 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.17 1x47 s ASN 37 CO 0.15 -0.23 -0.15 -0.36 -1.51 0.00 0.00 177.10 175.00 1x47 s PHE 38 N 1.92 2.63 0.22 2.20 0.40 -1.26 0.16 117.98 124.25 1x47 s PHE 38 Ca 0.24 -0.21 -0.15 0.00 -0.60 0.00 0.00 56.93 56.20 1x47 s PHE 38 Cb -0.15 -1.44 0.01 0.00 0.51 0.00 0.00 43.02 41.95 1x47 s PHE 38 CO 0.09 0.34 0.51 -0.59 0.70 0.00 0.00 175.22 176.28 1x47 s PHE 39 N -1.06 0.11 0.02 0.36 -0.12 -1.16 -5.01 117.98 111.13 1x47 s PHE 39 Ca 0.17 -0.48 -0.28 0.00 -0.05 0.00 0.00 56.93 56.29 1x47 s PHE 39 Cb -0.11 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.55 1x47 s PHE 39 CO 0.09 -0.97 0.89 -1.83 -0.05 0.00 0.00 175.22 173.35 1x47 s GLU 40 N -3.95 4.56 -0.24 1.99 -1.05 -1.26 -3.87 118.70 114.89 1x47 s GLU 40 Ca 0.15 1.28 -0.06 0.00 -0.15 0.00 0.00 54.97 56.20 1x47 s GLU 40 Cb -0.01 -3.42 -0.02 0.00 -0.44 0.00 0.00 34.13 30.24 1x47 s GLU 40 CO 0.04 0.09 0.01 0.00 0.95 0.00 0.00 175.26 176.35 1x47 n GLU 42 N 4.86 2.56 -4.47 0.00 2.13 -1.26 -4.44 120.64 120.01 1x47 n GLU 42 Ca -0.17 -1.43 -0.21 0.00 0.66 0.00 0.00 57.16 56.00 1x47 n GLU 42 Cb 0.51 -2.31 -0.16 0.00 0.27 0.00 0.00 31.44 29.76 1x47 n GLU 42 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1x47 s ASN 43 N 2.19 1.38 0.07 4.31 -0.87 -1.26 -5.04 114.94 115.73 1x47 s ASN 43 Ca 0.64 -0.22 -0.14 0.00 -1.57 0.00 0.00 52.86 51.56 1x47 s ASN 43 Cb 0.24 -0.38 -0.21 0.00 -0.02 0.00 0.00 41.25 40.89 1x47 s ASN 43 CO -0.02 0.08 1.22 1.55 -2.57 0.00 0.00 177.10 177.35 1x47 h PRO 44 N 6.37 0.69 0.22 -0.60 0.13 -1.99 -2.17 132.00 134.66 1x47 h PRO 44 Ca -0.33 -0.67 0.00 0.00 -0.87 0.00 0.00 66.00 64.13 1x47 h PRO 44 Cb 1.17 0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1x47 h PRO 44 CO 0.48 1.27 -0.23 1.03 -0.23 0.00 0.00 178.00 180.32 1x47 h SER 45 N 0.37 -0.62 -2.73 1.44 0.87 -1.98 -3.38 113.55 107.52 1x47 h SER 45 Ca -0.09 0.06 -0.57 0.00 -1.23 0.00 0.00 61.79 59.95 1x47 h SER 45 Cb 1.53 0.22 -0.39 0.00 -0.44 0.00 0.00 62.40 63.31 1x47 h SER 45 CO 0.18 -0.34 -0.82 -1.61 -0.53 0.00 0.00 176.83 173.70 1x47 s GLU 46 N -6.08 0.56 0.37 2.24 2.02 -1.25 -4.41 118.70 112.15 1x47 s GLU 46 Ca -0.16 -1.25 0.19 0.00 0.02 0.00 0.00 54.97 53.78 1x47 s GLU 46 Cb 0.07 -1.40 0.53 0.00 0.10 0.00 0.00 34.13 33.43 1x47 s GLU 46 CO 0.65 -1.16 1.66 -1.00 0.02 0.00 0.00 175.26 175.42 1x47 h PRO 47 N 7.27 0.00 -5.84 0.39 0.13 -1.52 -3.41 132.00 129.02 1x47 h PRO 47 Ca 0.00 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.54 1x47 h PRO 47 Cb 0.97 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.02 1x47 h PRO 47 CO 0.32 0.36 0.50 -0.06 -0.23 0.00 0.00 178.00 178.89 1x47 s PHE 48 N -3.38 3.28 0.03 1.56 0.40 -1.21 -2.16 117.98 116.51 1x47 s PHE 48 Ca 0.02 1.11 0.03 0.00 -0.60 0.00 0.00 56.93 57.49 1x47 s PHE 48 Cb 0.09 -3.13 -0.02 0.00 0.51 0.00 0.00 43.02 40.47 1x47 s PHE 48 CO 0.69 -0.46 -0.09 0.20 0.70 0.00 0.00 175.22 176.26 1x47 s GLY 49 N 1.39 0.54 0.14 4.36 0.00 -1.25 -0.57 107.32 111.93 1x47 s GLY 49 Ca 0.36 -0.66 -0.11 0.00 0.00 0.00 0.00 44.72 44.31 1x47 s GLY 49 CO 0.09 -0.67 0.30 0.00 0.00 0.00 0.00 173.10 172.81 1x47 s ALA 50 N -0.93 -0.30 0.13 3.20 0.00 0.01 -2.97 121.76 120.90 1x47 s ALA 50 Ca -0.04 -0.61 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 1x47 s ALA 50 Cb -0.07 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 1x47 s ALA 50 CO 0.01 -0.62 0.11 0.45 0.00 0.00 0.00 175.76 175.70 1x47 s SER 51 N -2.90 0.25 -0.30 0.00 0.15 0.42 -1.39 113.70 109.93 1x47 s SER 51 Ca 0.11 -1.10 0.01 0.00 0.70 0.00 0.00 55.95 55.67 1x47 s SER 51 Cb 0.03 0.33 0.07 0.00 -1.71 0.00 0.00 66.02 64.73 1x47 s SER 51 CO -0.05 -0.76 -0.03 -0.69 1.20 0.00 0.00 173.24 172.91 1x47 s VAL 52 N -4.01 2.54 -0.25 4.45 1.01 0.27 -0.14 120.40 124.27 1x47 s VAL 52 Ca 0.21 -1.69 -0.12 0.00 0.00 0.00 0.00 61.98 60.38 1x47 s VAL 52 Cb 0.06 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 1x47 s VAL 52 CO 0.00 -0.19 0.21 0.42 0.00 0.00 0.00 175.10 175.54 1x47 s THR 53 N 1.12 5.31 -0.47 3.92 -4.23 0.32 -1.21 115.64 120.40 1x47 s THR 53 Ca -0.03 0.27 -0.16 0.00 -1.18 0.00 0.00 61.69 60.59 1x47 s THR 53 Cb -0.20 -3.55 0.07 0.00 1.34 0.00 0.00 72.50 70.16 1x47 s THR 53 CO -0.04 0.29 0.40 -0.63 -0.54 0.00 0.00 174.62 174.10 1x47 s ILE 54 N 1.39 5.21 -1.92 2.99 1.01 0.50 -0.32 121.20 130.05 1x47 s ILE 54 Ca 0.09 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1x47 s ILE 54 Cb -0.15 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.21 1x47 s ILE 54 CO 0.07 -0.57 0.00 -0.67 0.00 0.00 0.00 174.94 173.78 1x47 n ASP 55 N 5.27 -5.42 0.00 3.58 2.03 -1.26 -0.88 116.55 119.87 1x47 n ASP 55 Ca -0.12 0.45 0.00 0.00 0.52 0.00 0.00 54.79 55.64 1x47 n ASP 55 Cb 0.44 -4.51 0.00 0.00 -0.72 0.00 0.00 41.12 36.33 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 -0.43 2.06 3.68 0.27 0.00 -1.26 -5.06 105.19 104.45 1x47 n GLY 56 Ca -0.18 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.19 3.81 0.39 1.61 1.01 -0.06 -4.89 120.40 121.08 1x47 s VAL 57 Ca 0.00 1.10 -0.24 0.00 0.00 0.00 0.00 61.98 62.84 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 -0.05 1.05 -0.89 0.00 0.00 0.00 175.10 175.21 1x47 s THR 58 N 3.04 3.71 0.00 3.92 2.01 -1.26 0.19 115.64 127.25 1x47 s THR 58 Ca 0.64 1.34 0.00 0.00 0.31 0.00 0.00 61.69 63.98 1x47 s THR 58 Cb -0.30 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.51 1x47 s THR 58 CO 0.25 0.03 0.00 -1.22 -0.69 0.00 0.00 174.62 172.99 1x47 n TYR 59 N 0.02 0.00 -3.34 4.92 4.02 -0.35 -4.87 117.16 117.56 1x47 n TYR 59 Ca 0.05 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.55 1x47 n TYR 59 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.75 1x47 n TYR 59 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1x47 s GLY 60 N -1.56 2.50 -0.17 2.72 0.00 -1.24 -4.79 107.32 104.78 1x47 s GLY 60 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 44.72 44.48 1x47 s GLY 60 CO 0.00 0.53 0.42 -1.35 0.00 0.00 0.00 173.10 172.71 1x47 s SER 61 N -0.29 -0.50 0.19 1.64 1.04 -1.26 0.94 113.70 115.46 1x47 s SER 61 Ca 0.27 0.90 -0.18 0.00 0.48 0.00 0.00 55.95 57.42 1x47 s SER 61 Cb -0.17 0.82 0.06 0.00 0.10 0.00 0.00 66.02 66.83 1x47 s SER 61 CO 0.14 -0.18 0.85 0.61 0.98 0.00 0.00 173.24 175.64 1x47 n GLY 62 N 3.81 0.77 3.30 7.32 0.00 -0.48 -4.84 105.19 115.07 1x47 n GLY 62 Ca -0.20 -1.14 -0.17 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.15 0.23 0.19 2.61 -4.23 -1.26 -0.81 115.64 110.23 1x47 s THR 63 Ca 0.19 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.47 1x47 s THR 63 Cb -0.03 -2.51 0.07 0.00 1.34 0.00 0.00 72.50 71.37 1x47 s THR 63 CO 0.06 0.00 1.01 0.00 -0.54 0.00 0.00 174.62 175.15 1x47 s ALA 64 N -3.69 -1.57 0.28 3.99 0.00 0.26 -4.59 121.76 116.44 1x47 s ALA 64 Ca 0.37 -0.23 0.07 0.00 0.00 0.00 0.00 51.96 52.17 1x47 s ALA 64 Cb 0.05 0.72 0.41 0.00 0.00 0.00 0.00 23.12 24.29 1x47 s ALA 64 CO 0.18 -1.05 1.66 0.66 0.00 0.00 0.00 175.76 177.20 1x47 h SER 65 N 2.00 0.22 -2.14 0.00 4.64 -1.86 -3.20 113.55 113.22 1x47 h SER 65 Ca -0.27 -0.10 -0.55 0.00 -0.47 0.00 0.00 61.79 60.39 1x47 h SER 65 Cb 1.22 -0.06 -0.09 0.00 -0.31 0.00 0.00 62.40 63.16 1x47 h SER 65 CO 0.33 0.67 -0.62 -0.55 -0.87 0.00 0.00 176.83 175.79 1x47 s SER 66 N -6.88 4.61 0.03 4.97 0.15 -1.26 -4.78 113.70 110.54 1x47 s SER 66 Ca -0.04 -0.66 -0.25 0.00 0.70 0.00 0.00 55.95 55.70 1x47 s SER 66 Cb 0.13 -0.85 -0.18 0.00 -1.71 0.00 0.00 66.02 63.42 1x47 s SER 66 CO 0.78 -0.06 1.43 0.50 1.20 0.00 0.00 173.24 177.09 1x47 h LYS 67 N 1.81 -0.15 -0.12 5.44 3.64 -1.92 -2.62 116.57 122.65 1x47 h LYS 67 Ca -0.44 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.97 1x47 h LYS 67 Cb 1.25 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.05 1x47 h LYS 67 CO 0.61 0.12 -0.47 0.87 -2.27 0.00 0.00 179.45 178.31 1x47 h LYS 68 N -0.42 -0.49 -0.99 1.90 1.57 -1.98 0.22 116.57 116.38 1x47 h LYS 68 Ca -0.02 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.93 1x47 h LYS 68 Cb 0.34 0.11 -0.15 0.00 0.08 0.00 0.00 32.23 32.62 1x47 h LYS 68 CO 0.03 -0.33 -0.46 -0.07 -0.57 0.00 0.00 179.45 178.05 1x47 h LEU 69 N -0.51 -1.70 -0.33 2.94 -0.00 -1.96 1.62 115.31 115.38 1x47 h LEU 69 Ca 0.03 0.32 0.07 0.00 -0.00 0.00 0.00 57.88 58.29 1x47 h LEU 69 Cb 0.59 0.83 -0.08 0.00 -0.00 0.00 0.00 40.66 41.99 1x47 h LEU 69 CO -0.38 -0.27 -0.35 0.00 -0.00 0.00 0.00 178.44 177.44 1x47 h ALA 70 N 1.06 -0.30 -0.45 1.53 0.00 -0.83 0.97 119.26 121.24 1x47 h ALA 70 Ca 0.28 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.30 1x47 h ALA 70 Cb 0.53 0.73 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1x47 h ALA 70 CO -0.97 -0.78 0.23 -0.22 0.00 0.00 0.00 179.25 177.51 1x47 h LYS 71 N -0.31 0.45 -0.83 0.00 3.64 0.20 0.50 116.57 120.22 1x47 h LYS 71 Ca 0.14 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1x47 h LYS 71 Cb 0.56 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.22 1x47 h LYS 71 CO -0.50 0.29 0.54 -0.97 -2.27 0.00 0.00 179.45 176.55 1x47 h ASN 72 N 0.46 0.76 0.12 4.20 -1.24 0.41 0.81 115.58 121.11 1x47 h ASN 72 Ca 0.19 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.21 1x47 h ASN 72 Cb 0.10 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.00 1x47 h ASN 72 CO -0.13 0.47 -0.06 0.11 -1.29 0.00 0.00 177.43 176.53 1x47 h LYS 73 N 0.85 -0.16 -0.77 6.67 1.57 0.25 1.07 116.57 126.05 1x47 h LYS 73 Ca 0.37 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.34 1x47 h LYS 73 Cb 0.33 0.04 -0.12 0.00 0.08 0.00 0.00 32.23 32.55 1x47 h LYS 73 CO -0.14 0.29 0.15 0.00 -0.57 0.00 0.00 179.45 179.18 1x47 h ALA 74 N 0.02 0.99 0.15 3.86 0.00 0.59 0.89 119.26 125.76 1x47 h ALA 74 Ca -0.02 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1x47 h ALA 74 Cb 0.53 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1x47 h ALA 74 CO 0.03 -0.38 -0.07 0.00 0.00 0.00 0.00 179.25 178.82 1x47 h ALA 75 N 1.67 -0.20 -1.15 0.00 0.00 -0.84 -2.71 119.26 116.02 1x47 h ALA 75 Ca 0.44 -0.20 0.37 0.00 0.00 0.00 0.00 54.91 55.52 1x47 h ALA 75 Cb 0.80 0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.54 1x47 h ALA 75 CO -0.58 -0.24 0.72 -0.09 0.00 0.00 0.00 179.25 179.06 1x47 h ARG 76 N -0.94 0.21 0.34 0.00 2.43 0.20 0.36 114.38 116.97 1x47 h ARG 76 Ca -0.02 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1x47 h ARG 76 Cb 0.48 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1x47 h ARG 76 CO 0.03 0.14 -0.16 0.00 -1.51 0.00 0.00 179.97 178.47 1x47 h ALA 77 N 1.70 -0.77 -0.99 2.80 0.00 0.76 -2.57 119.26 120.18 1x47 h ALA 77 Ca 0.75 -0.10 0.37 0.00 0.00 0.00 0.00 54.91 55.93 1x47 h ALA 77 Cb 2.08 0.17 -0.18 0.00 0.00 0.00 0.00 17.79 19.86 1x47 h ALA 77 CO -0.47 -0.74 0.38 2.41 0.00 0.00 0.00 179.25 180.83 1x47 n THR 78 N -3.70 -0.42 0.03 0.00 -1.04 -0.17 0.16 114.28 109.14 1x47 n THR 78 Ca -0.06 2.07 -0.11 0.00 -2.04 0.00 0.00 64.05 63.92 1x47 n THR 78 Cb 0.18 -3.25 -0.05 0.00 -1.82 0.00 0.00 70.33 65.39 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 -0.19 -0.57 -4.42 3.38 -0.96 -1.64 115.31 110.91 1x47 h LEU 79 Ca 0.77 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.85 1x47 h LEU 79 Cb 1.93 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 42.71 1x47 h LEU 79 CO -0.82 -0.09 0.24 -0.33 0.09 0.00 0.00 178.44 177.54 1x47 h GLU 80 N -0.09 0.44 -0.39 1.13 5.08 0.20 1.37 114.58 122.33 1x47 h GLU 80 Ca 0.04 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1x47 h GLU 80 Cb 0.15 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.22 1x47 h GLU 80 CO -0.10 0.29 -0.15 0.82 -1.00 0.00 0.00 179.01 178.87 1x47 h ILE 81 N 0.46 0.51 0.14 3.13 2.04 -0.52 -3.12 117.51 120.13 1x47 h ILE 81 Ca 0.27 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.12 1x47 h ILE 81 Cb 0.27 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1x47 h ILE 81 CO -0.24 0.00 -0.07 -0.07 0.00 0.00 0.00 178.15 177.78 1x47 h LEU 82 N -0.07 -0.16 -8.88 1.44 3.38 -0.39 -3.42 115.31 107.22 1x47 h LEU 82 Ca 0.19 0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.60 1x47 h LEU 82 Cb 0.36 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 1x47 h LEU 82 CO -0.44 0.00 0.86 -0.63 0.09 0.00 0.00 178.44 178.32 1x47 s ILE 83 N -2.28 4.42 0.20 1.22 1.01 0.46 -4.89 121.20 121.34 1x47 s ILE 83 Ca -0.03 1.56 0.06 0.00 0.00 0.00 0.00 60.65 62.24 1x47 s ILE 83 Cb 0.00 -4.47 -0.11 0.00 0.01 0.00 0.00 42.46 37.89 1x47 s ILE 83 CO 0.08 -0.65 1.46 1.55 0.00 0.00 0.00 174.94 177.38 1x47 h PRO 84 N 8.46 0.11 -2.28 2.79 0.13 -1.82 -3.34 132.00 136.05 1x47 h PRO 84 Ca -0.21 -0.11 -0.62 0.00 -0.87 0.00 0.00 66.00 64.18 1x47 h PRO 84 Cb 1.06 0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.82 1x47 h PRO 84 CO 1.06 0.84 -0.42 -0.25 -0.23 0.00 0.00 178.00 179.00 1x47 n ASP 85 N -3.68 4.33 -0.06 1.44 8.00 -1.26 -4.84 116.55 120.48 1x47 n ASP 85 Ca -0.02 -3.52 -0.04 0.00 0.71 0.00 0.00 54.79 51.92 1x47 n ASP 85 Cb 0.75 -0.71 -0.01 0.00 -0.02 0.00 0.00 41.12 41.12 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 0.58 0.76 -2.57 1.24 7.35 -1.25 -4.95 117.46 118.62 1x47 n PHE 86 Ca 0.30 0.33 -0.32 0.00 -0.76 0.00 0.00 57.45 57.01 1x47 n PHE 86 Cb 0.39 -0.68 -0.04 0.00 0.35 0.00 0.00 39.48 39.50 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 -2.08 4.55 -0.22 -2.13 1.01 -1.26 -5.06 120.40 115.21 1x47 s VAL 87 Ca -0.13 1.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.97 1x47 s VAL 87 Cb 0.02 -3.70 0.08 0.00 0.00 0.00 0.00 36.38 32.78 1x47 s VAL 87 CO 0.19 -0.58 0.10 -0.75 0.00 0.00 0.00 175.10 174.07 1x47 s LYS 88 N -3.84 0.14 -0.03 2.72 2.20 -1.26 -5.01 119.74 114.66 1x47 s LYS 88 Ca 0.58 -0.28 -0.02 0.00 -0.36 0.00 0.00 55.97 55.89 1x47 s LYS 88 Cb -0.10 -1.59 0.01 0.00 -1.51 0.00 0.00 37.83 34.64 1x47 s LYS 88 CO 0.28 -0.81 0.04 0.94 -0.36 0.00 0.00 175.35 175.44 1x47 n GLN 89 N 5.25 -1.39 -3.84 4.03 -0.06 -1.26 -5.10 117.38 115.01 1x47 n GLN 89 Ca -0.07 1.38 -0.12 0.00 -2.00 0.00 0.00 57.00 56.20 1x47 n GLN 89 Cb 0.46 -1.95 -0.11 0.00 -4.06 0.00 0.00 30.24 24.59 1x47 n GLN 89 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1x47 s THR 90 N -0.18 0.05 0.50 1.69 -1.32 -1.26 -5.16 115.64 109.96 1x47 s THR 90 Ca -0.05 -0.45 -0.18 0.00 -1.21 0.00 0.00 61.69 59.80 1x47 s THR 90 Cb 0.00 -0.39 -0.08 0.00 -1.51 0.00 0.00 72.50 70.52 1x47 s THR 90 CO 0.12 -0.25 0.98 -0.44 -2.21 0.00 0.00 174.62 172.83 1x47 s SER 91 N -0.90 6.63 -0.07 8.08 0.01 -1.26 -4.51 113.70 121.68 1x47 s SER 91 Ca -0.10 1.64 -0.00 0.00 1.31 0.00 0.00 55.95 58.80 1x47 s SER 91 Cb -0.05 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1x47 s SER 91 CO 0.01 -0.58 0.01 -0.62 0.41 0.00 0.00 173.24 172.47 1x47 n GLU 92 N -1.32 -1.18 -3.58 12.44 4.71 -1.26 -4.90 120.64 125.54 1x47 n GLU 92 Ca 0.07 1.33 -0.34 0.00 -0.01 0.00 0.00 57.16 58.20 1x47 n GLU 92 Cb 0.54 -2.02 -0.07 0.00 -1.01 0.00 0.00 31.44 28.88 1x47 n GLU 92 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1x47 n SER 93 N 1.31 4.22 -3.20 1.62 3.41 -1.26 -4.95 113.62 114.77 1x47 n SER 93 Ca -0.01 -3.22 0.00 0.00 -0.26 0.00 0.00 58.87 55.38 1x47 n SER 93 Cb 0.35 -0.98 -0.02 0.00 -0.26 0.00 0.00 64.21 63.30 1x47 n SER 93 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x47 s GLY 94 N -0.82 -1.05 -1.16 5.00 0.00 -1.26 -5.05 107.32 102.98 1x47 s GLY 94 Ca 0.29 0.89 -0.13 0.00 0.00 0.00 0.00 44.72 45.78 1x47 s GLY 94 CO -0.09 3.47 2.27 -1.55 0.00 0.00 0.00 173.10 177.20 1x47 n PRO 95 N 5.40 2.46 -4.38 2.90 -0.04 -1.26 -4.86 135.00 135.22 1x47 n PRO 95 Ca 0.03 -2.00 -0.29 0.00 -0.04 0.00 0.00 63.50 61.20 1x47 n PRO 95 Cb 0.52 -2.86 -0.12 0.00 -0.04 0.00 0.00 33.50 31.01 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 3.53 3.75 0.19 3.54 0.15 -1.26 -5.14 113.70 118.46 1x47 s SER 96 Ca 0.53 -0.58 0.01 0.00 0.70 0.00 0.00 55.95 56.60 1x47 s SER 96 Cb 0.14 -0.48 -0.05 0.00 -1.71 0.00 0.00 66.02 63.92 1x47 s SER 96 CO -0.01 0.19 0.05 -0.44 1.20 0.00 0.00 173.24 174.23 1x47 s SER 97 N -2.03 0.89 0.00 5.45 0.01 -1.26 -5.24 113.70 111.53 1x47 s SER 97 Ca 0.17 -1.26 0.24 0.00 1.31 0.00 0.00 55.95 56.41 1x47 s SER 97 Cb -0.10 0.20 1.44 0.00 0.21 0.00 0.00 66.02 67.76 1x47 s SER 97 CO 0.09 -0.67 1.81 0.61 0.41 0.00 0.00 173.24 175.48