#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g71 s GLN 2 N 0.00 4.19 -0.03 3.17 -1.52 -1.26 -2.15 119.66 122.06 3g71 s GLN 2 Ca 0.00 0.73 0.01 0.00 -1.95 0.00 0.00 55.36 54.15 3g71 s GLN 2 Cb 0.00 -3.11 0.02 0.00 -0.22 0.00 0.00 33.01 29.70 3g71 s GLN 2 CO 0.00 0.55 -0.02 1.41 -0.25 0.00 0.00 175.29 176.98 3g71 s MET 3 N -1.46 0.50 0.25 2.91 -2.45 -0.18 -4.95 119.30 113.92 3g71 s MET 3 Ca 0.34 -0.04 -0.30 0.00 -1.25 0.00 0.00 55.69 54.45 3g71 s MET 3 Cb -0.18 -0.58 -0.09 0.00 1.25 0.00 0.00 34.83 35.23 3g71 s MET 3 CO 0.20 -0.07 1.17 -1.25 1.05 0.00 0.00 175.02 176.12 3g71 s PRO 4 N 0.75 4.54 0.09 4.11 0.04 -1.26 -0.38 135.00 142.90 3g71 s PRO 4 Ca -0.09 1.89 -0.18 0.00 0.04 0.00 0.00 61.00 62.66 3g71 s PRO 4 Cb -0.12 -3.19 -0.07 0.00 0.04 0.00 0.00 34.50 31.16 3g71 s PRO 4 CO -0.01 0.03 1.57 -0.09 0.04 0.00 0.00 177.00 178.55 3g71 h ARG 5 N 4.34 0.43 -4.87 4.56 9.65 -1.74 -3.43 114.38 123.31 3g71 h ARG 5 Ca -0.46 -0.11 -0.58 0.00 -1.10 0.00 0.00 59.98 57.73 3g71 h ARG 5 Cb 1.21 -0.05 -0.33 0.00 -1.39 0.00 0.00 29.97 29.41 3g71 h ARG 5 CO 0.70 0.54 -0.84 1.03 2.80 0.00 0.00 179.97 184.20 3g71 s ARG 6 N -5.22 2.22 0.03 0.20 0.52 -1.26 -0.77 118.95 114.68 3g71 s ARG 6 Ca -0.14 -0.60 -0.22 0.00 -0.52 0.00 0.00 55.73 54.26 3g71 s ARG 6 Cb 0.08 -1.75 0.05 0.00 0.52 0.00 0.00 34.95 33.84 3g71 s ARG 6 CO 0.74 0.09 0.50 -0.59 0.02 0.00 0.00 175.30 176.06 3g71 s PHE 7 N 0.52 -0.40 -0.24 -0.53 -0.12 -0.64 -4.97 117.98 111.61 3g71 s PHE 7 Ca -0.16 0.47 -0.29 0.00 -0.05 0.00 0.00 56.93 56.90 3g71 s PHE 7 Cb -0.17 0.31 0.01 0.00 -0.63 0.00 0.00 43.02 42.54 3g71 s PHE 7 CO 0.06 -0.61 1.08 -0.80 -0.05 0.00 0.00 175.22 174.89 3g71 s ASN 8 N -1.87 7.05 0.29 1.98 0.01 -1.26 -0.56 114.94 120.59 3g71 s ASN 8 Ca -0.06 1.37 -0.12 0.00 -0.71 0.00 0.00 52.86 53.33 3g71 s ASN 8 Cb -0.01 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 39.12 3g71 s ASN 8 CO -0.00 -0.72 0.56 0.28 -1.51 0.00 0.00 177.10 175.71 3g71 s THR 9 N 3.32 0.00 0.27 1.60 -1.32 -0.65 -4.97 115.64 113.90 3g71 s THR 9 Ca 0.46 -1.33 -0.29 0.00 -1.21 0.00 0.00 61.69 59.32 3g71 s THR 9 Cb -0.15 -2.37 -0.10 0.00 -1.51 0.00 0.00 72.50 68.37 3g71 s THR 9 CO 0.09 0.00 1.22 -0.47 -2.21 0.00 0.00 174.62 173.25 3g71 s TYR 10 N -3.53 3.32 -0.29 9.09 5.04 -1.26 -1.73 117.35 127.98 3g71 s TYR 10 Ca 0.21 1.48 -0.03 0.00 -2.44 0.00 0.00 57.07 56.30 3g71 s TYR 10 Cb -0.02 -3.50 0.04 0.00 0.35 0.00 0.00 41.96 38.83 3g71 s TYR 10 CO 0.11 -1.32 -0.00 0.00 -1.34 0.00 0.00 175.55 173.00 3g71 n PRO 12 N 4.69 0.10 -0.10 0.00 -0.04 -1.26 -1.66 135.00 136.72 3g71 n PRO 12 Ca -0.14 0.39 -0.18 0.00 -0.04 0.00 0.00 63.50 63.53 3g71 n PRO 12 Cb 0.45 -1.70 -0.10 0.00 -0.04 0.00 0.00 33.50 32.11 3g71 n PRO 12 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3g71 h HIS 13 N 0.00 0.00 0.00 0.54 3.86 -1.94 -3.38 115.15 114.23 3g71 h HIS 13 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3g71 h HIS 13 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 3g71 h HIS 13 CO 0.00 1.18 0.00 0.00 0.86 0.00 0.00 177.93 179.97 3g71 n ASN 15 N -2.67 -4.57 -3.85 0.00 2.85 -0.67 -4.99 115.26 101.36 3g71 n ASN 15 Ca 0.03 0.18 -0.09 0.00 -0.11 0.00 0.00 54.58 54.60 3g71 n ASN 15 Cb 0.37 -3.53 -0.04 0.00 1.24 0.00 0.00 39.78 37.83 3g71 n ASN 15 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 3g71 s GLU 16 N -3.93 1.57 0.07 1.20 -1.05 -1.23 -5.01 118.70 110.33 3g71 s GLU 16 Ca 0.00 -1.01 -0.30 0.00 -0.15 0.00 0.00 54.97 53.51 3g71 s GLU 16 Cb 0.00 0.54 -0.05 0.00 -0.44 0.00 0.00 34.13 34.18 3g71 s GLU 16 CO 0.00 -0.69 1.08 -1.01 0.95 0.00 0.00 175.26 175.60 3g71 s HIS 17 N -3.93 3.58 0.21 4.83 3.76 -1.26 -2.52 115.29 119.95 3g71 s HIS 17 Ca 0.13 1.54 -0.09 0.00 -0.15 0.00 0.00 55.06 56.49 3g71 s HIS 17 Cb -0.03 -3.26 -0.01 0.00 1.11 0.00 0.00 32.58 30.39 3g71 s HIS 17 CO 0.04 -0.59 0.34 -0.65 -0.85 0.00 0.00 174.74 173.03 3g71 s GLN 18 N 0.64 1.33 -0.23 1.40 -0.21 -0.71 -4.96 119.66 116.93 3g71 s GLN 18 Ca 0.53 -1.28 -0.29 0.00 0.02 0.00 0.00 55.36 54.34 3g71 s GLN 18 Cb -0.26 0.40 0.01 0.00 1.00 0.00 0.00 33.01 34.15 3g71 s GLN 18 CO 0.30 -0.51 1.09 -2.00 -2.12 0.00 0.00 175.29 172.05 3g71 s GLU 19 N -4.02 4.23 0.01 2.91 2.12 -1.26 -1.63 118.70 121.06 3g71 s GLU 19 Ca 0.23 1.39 0.01 0.00 0.36 0.00 0.00 54.97 56.97 3g71 s GLU 19 Cb 0.02 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 3g71 s GLU 19 CO 0.06 -0.68 0.04 -1.01 -0.54 0.00 0.00 175.26 173.13 3g71 s HIS 20 N 3.32 3.16 -0.15 5.30 3.76 0.28 -0.47 115.29 130.50 3g71 s HIS 20 Ca 0.46 0.12 -0.05 0.00 -0.15 0.00 0.00 55.06 55.45 3g71 s HIS 20 Cb -0.16 -1.68 -0.03 0.00 1.11 0.00 0.00 32.58 31.81 3g71 s HIS 20 CO 0.09 0.50 0.01 -2.00 -0.85 0.00 0.00 174.74 172.49 3g71 s GLU 21 N -1.75 3.63 -0.24 1.40 2.12 0.11 -1.62 118.70 122.36 3g71 s GLU 21 Ca 0.22 -0.43 -0.11 0.00 0.36 0.00 0.00 54.97 55.02 3g71 s GLU 21 Cb -0.12 -3.00 -0.05 0.00 0.26 0.00 0.00 34.13 31.23 3g71 s GLU 21 CO 0.13 0.36 0.16 0.08 -0.54 0.00 0.00 175.26 175.46 3g71 s VAL 22 N 0.07 5.36 0.03 3.70 1.01 0.05 -0.62 120.40 130.00 3g71 s VAL 22 Ca 0.02 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.24 3g71 s VAL 22 Cb -0.13 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 3g71 s VAL 22 CO 0.02 0.35 -0.12 -0.70 0.00 0.00 0.00 175.10 174.65 3g71 s GLU 23 N 1.01 0.85 0.03 2.72 2.12 -0.77 -4.89 118.70 119.78 3g71 s GLU 23 Ca 0.08 -0.64 -0.30 0.00 0.36 0.00 0.00 54.97 54.47 3g71 s GLU 23 Cb -0.13 -0.82 -0.04 0.00 0.26 0.00 0.00 34.13 33.39 3g71 s GLU 23 CO 0.04 0.21 0.97 0.15 -0.54 0.00 0.00 175.26 176.09 3g71 s LYS 24 N -0.93 4.60 -0.26 4.30 1.02 -1.26 -0.49 119.74 126.71 3g71 s LYS 24 Ca 0.01 1.42 -0.28 0.00 0.02 0.00 0.00 55.97 57.14 3g71 s LYS 24 Cb -0.07 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 3g71 s LYS 24 CO 0.01 0.04 1.96 0.08 -0.92 0.00 0.00 175.35 176.52 3g71 s VAL 25 N 0.68 3.29 0.15 3.17 1.01 -0.98 -4.90 120.40 122.82 3g71 s VAL 25 Ca 0.50 0.30 -0.28 0.00 0.00 0.00 0.00 61.98 62.50 3g71 s VAL 25 Cb -0.22 -3.37 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 3g71 s VAL 25 CO 0.28 -0.22 0.88 -0.13 0.00 0.00 0.00 175.10 175.90 3g71 s ARG 26 N 5.83 4.67 -0.16 2.72 0.52 -1.26 -5.00 118.95 126.28 3g71 s ARG 26 Ca 0.88 1.32 -0.29 0.00 -0.52 0.00 0.00 55.73 57.12 3g71 s ARG 26 Cb -0.28 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 31.83 3g71 s ARG 26 CO 0.34 0.39 1.77 -1.12 0.02 0.00 0.00 175.30 176.70 3g71 s SER 27 N -0.60 6.28 0.13 0.23 0.01 -1.26 -4.98 113.70 113.52 3g71 s SER 27 Ca 0.41 1.90 -0.30 0.00 1.31 0.00 0.00 55.95 59.27 3g71 s SER 27 Cb -0.23 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.40 3g71 s SER 27 CO 0.28 -1.30 1.05 -0.83 0.41 0.00 0.00 173.24 172.86 3g71 s GLY 28 N 4.78 2.87 0.54 3.44 0.00 -1.26 -5.01 107.32 112.68 3g71 s GLY 28 Ca 0.79 0.72 -0.22 0.00 0.00 0.00 0.00 44.72 46.01 3g71 s GLY 28 CO 0.32 1.62 1.32 0.50 0.00 0.00 0.00 173.10 176.86 3g71 s ARG 29 N -0.04 3.20 0.11 2.90 0.52 -1.26 -5.01 118.95 119.37 3g71 s ARG 29 Ca 0.49 2.15 -0.24 0.00 -0.52 0.00 0.00 55.73 57.62 3g71 s ARG 29 Cb -0.27 -2.25 -0.07 0.00 0.52 0.00 0.00 34.95 32.88 3g71 s ARG 29 CO 0.32 -1.12 0.72 -0.65 0.02 0.00 0.00 175.30 174.59 3g71 s GLN 30 N -2.91 4.46 0.14 3.54 -0.21 -1.26 -4.99 119.66 118.43 3g71 s GLN 30 Ca 0.71 1.02 0.06 0.00 0.02 0.00 0.00 55.36 57.17 3g71 s GLN 30 Cb -0.38 -3.29 -0.11 0.00 1.00 0.00 0.00 33.01 30.23 3g71 s GLN 30 CO 0.45 0.50 1.33 1.79 -2.12 0.00 0.00 175.29 177.24 3g71 h THR 31 N 3.61 1.64 -0.36 -0.19 1.35 -2.03 -3.48 112.91 113.46 3g71 h THR 31 Ca -0.47 -3.13 -0.11 0.00 -0.55 0.00 0.00 66.41 62.15 3g71 h THR 31 Cb 1.21 2.72 -0.04 0.00 -1.73 0.00 0.00 68.15 70.31 3g71 h THR 31 CO 0.67 0.90 -0.11 0.61 -0.25 0.00 0.00 175.52 177.34 3g71 n GLY 32 N 1.16 0.66 0.14 5.82 0.00 -1.26 -4.91 105.19 106.79 3g71 n GLY 32 Ca -0.01 -0.79 0.02 0.00 0.00 0.00 0.00 46.02 45.24 3g71 n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3g71 n MET 33 N -2.57 0.01 -1.31 1.61 2.81 -1.26 -4.82 117.12 111.59 3g71 n MET 33 Ca -0.06 -0.67 -0.30 0.00 -1.81 0.00 0.00 57.70 54.87 3g71 n MET 33 Cb 0.25 -1.04 0.12 0.00 -0.71 0.00 0.00 33.22 31.84 3g71 n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3g71 s LYS 34 N -0.39 1.56 0.29 0.03 3.01 -1.26 -4.87 119.74 118.11 3g71 s LYS 34 Ca 0.04 0.79 0.02 0.00 -1.01 0.00 0.00 55.97 55.81 3g71 s LYS 34 Cb 0.03 -1.85 0.57 0.00 -1.01 0.00 0.00 37.83 35.58 3g71 s LYS 34 CO 0.05 -2.03 1.86 2.35 0.51 0.00 0.00 175.35 178.10 3g71 h TRP 35 N -1.39 1.09 0.00 3.18 7.01 -2.00 -2.04 115.95 121.81 3g71 h TRP 35 Ca -0.48 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.51 3g71 h TRP 35 Cb 1.28 -0.35 -0.00 0.00 -2.10 0.00 0.00 29.16 27.98 3g71 h TRP 35 CO 0.45 0.47 -0.16 0.97 -2.79 0.00 0.00 178.44 177.38 3g71 h ILE 36 N 0.98 0.81 0.01 2.65 6.09 -1.99 -1.13 117.51 124.93 3g71 h ILE 36 Ca 0.46 -0.61 -0.23 0.00 -1.37 0.00 0.00 64.86 63.11 3g71 h ILE 36 Cb 0.43 1.36 0.00 0.00 0.47 0.00 0.00 36.82 39.09 3g71 h ILE 36 CO -0.22 0.15 -0.96 0.44 -3.07 0.00 0.00 178.15 174.49 3g71 h ASP 37 N 0.00 0.54 0.66 2.19 3.32 -1.71 -2.49 116.42 118.93 3g71 h ASP 37 Ca -0.00 -0.44 -0.15 0.00 0.02 0.00 0.00 57.03 56.46 3g71 h ASP 37 Cb 0.35 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3g71 h ASP 37 CO 0.02 1.24 -0.70 0.03 -1.72 0.00 0.00 179.24 178.12 3g71 h ARG 38 N 0.23 0.03 -0.00 3.56 3.08 -1.27 -2.95 114.38 117.05 3g71 h ARG 38 Ca -0.08 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.78 3g71 h ARG 38 Cb 1.60 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.63 3g71 h ARG 38 CO 0.17 0.71 -0.77 0.37 -1.07 0.00 0.00 179.97 179.38 3g71 h GLN 39 N 0.02 0.02 -0.43 0.04 4.15 -1.16 -1.50 115.11 116.24 3g71 h GLN 39 Ca -0.01 -0.02 -0.15 0.00 0.77 0.00 0.00 58.65 59.24 3g71 h GLN 39 Cb 1.24 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 3g71 h GLN 39 CO 0.09 0.78 -0.31 -0.09 -1.93 0.00 0.00 178.83 177.38 3g71 h ARG 40 N 0.01 0.97 -0.23 1.69 2.43 -1.39 0.47 114.38 118.33 3g71 h ARG 40 Ca -0.01 -0.47 -0.17 0.00 -0.81 0.00 0.00 59.98 58.52 3g71 h ARG 40 Cb 1.37 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.91 3g71 h ARG 40 CO 0.10 1.13 -0.55 0.93 -1.51 0.00 0.00 179.97 180.08 3g71 h GLU 41 N 0.81 0.70 0.26 0.20 5.08 -1.45 -3.13 114.58 117.07 3g71 h GLU 41 Ca 0.08 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 3g71 h GLU 41 Cb 0.90 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3g71 h GLU 41 CO 0.08 1.07 -0.13 0.00 -1.00 0.00 0.00 179.01 179.03 3g71 h ARG 42 N 0.54 -0.34 0.00 2.33 3.08 -1.18 -3.36 114.38 115.45 3g71 h ARG 42 Ca 0.01 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3g71 h ARG 42 Cb 1.13 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3g71 h ARG 42 CO 0.11 -0.23 0.00 0.09 -1.07 0.00 0.00 179.97 178.88 3g71 n ASN 43 N -4.94 0.00 -4.51 7.04 4.13 0.15 -4.70 115.26 112.43 3g71 n ASN 43 Ca -0.04 -0.25 -0.42 0.00 1.68 0.00 0.00 54.58 55.55 3g71 n ASN 43 Cb 0.14 -0.11 -0.10 0.00 -1.54 0.00 0.00 39.78 38.17 3g71 n ASN 43 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3g71 s SER 44 N -2.22 6.13 0.00 6.41 0.01 -1.18 -4.89 113.70 117.96 3g71 s SER 44 Ca 0.19 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.90 3g71 s SER 44 Cb 0.10 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 64.15 3g71 s SER 44 CO 0.19 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 174.06 3g71 n GLY 45 N 5.08 3.65 3.73 3.44 0.00 -1.26 -4.99 105.19 114.83 3g71 n GLY 45 Ca -0.10 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 3g71 n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g71 s ILE 46 N 3.89 4.85 0.00 -0.61 1.01 -1.26 -4.89 121.20 124.18 3g71 s ILE 46 Ca 0.00 1.68 0.00 0.00 0.00 0.00 0.00 60.65 62.33 3g71 s ILE 46 Cb 0.00 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3g71 s ILE 46 CO 0.00 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.83 3g71 n GLY 47 N 2.72 -0.23 3.77 6.18 0.00 -1.26 -4.90 105.19 111.48 3g71 n GLY 47 Ca -0.00 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 3g71 n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g71 s ASN 48 N -4.00 6.24 0.00 1.61 2.47 -1.26 -4.97 114.94 115.03 3g71 s ASN 48 Ca 0.00 2.32 0.15 0.00 0.42 0.00 0.00 52.86 55.75 3g71 s ASN 48 Cb 0.00 -2.61 0.34 0.00 -1.45 0.00 0.00 41.25 37.54 3g71 s ASN 48 CO 0.00 -0.87 1.26 0.47 -3.72 0.00 0.00 177.10 174.24 3g71 n ASP 49 N -0.37 3.02 0.00 -4.21 8.00 -1.26 -4.80 116.55 116.93 3g71 n ASP 49 Ca 0.07 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.66 3g71 n ASP 49 Cb 0.48 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3g71 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g71 n GLY 50 N 0.88 2.07 0.25 0.44 0.00 -1.26 -3.16 105.19 104.42 3g71 n GLY 50 Ca 0.14 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.09 3g71 n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3g71 h LYS 51 N 0.00 0.00 -0.13 1.61 2.10 -1.98 -2.68 116.57 115.49 3g71 h LYS 51 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3g71 h LYS 51 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3g71 h LYS 51 CO 0.00 0.12 0.00 1.19 -2.00 0.00 0.00 179.45 178.76 3g71 n PHE 52 N -3.29 0.17 0.74 0.07 3.01 -1.19 -3.07 117.46 113.90 3g71 n PHE 52 Ca -0.00 -0.08 0.08 0.00 1.01 0.00 0.00 57.45 58.46 3g71 n PHE 52 Cb 0.35 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.81 3g71 n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3g71 n SER 53 N 0.07 1.58 -4.78 4.37 7.64 -1.01 -4.89 113.62 116.60 3g71 n SER 53 Ca 0.15 -1.29 -0.37 0.00 1.01 0.00 0.00 58.87 58.37 3g71 n SER 53 Cb 0.26 0.52 -0.06 0.00 -1.01 0.00 0.00 64.21 63.92 3g71 n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3g71 s LYS 54 N -2.01 4.57 -0.06 1.43 1.02 -1.18 -5.03 119.74 118.49 3g71 s LYS 54 Ca 0.13 1.29 -0.00 0.00 0.02 0.00 0.00 55.97 57.41 3g71 s LYS 54 Cb 0.13 -2.87 -0.03 0.00 -0.52 0.00 0.00 37.83 34.54 3g71 s LYS 54 CO 0.44 0.33 -0.03 0.14 -0.92 0.00 0.00 175.35 175.31 3g71 s VAL 55 N -1.55 4.03 0.14 3.17 -7.23 -1.26 -5.08 120.40 112.61 3g71 s VAL 55 Ca 0.48 -0.42 -0.33 0.00 -1.81 0.00 0.00 61.98 59.90 3g71 s VAL 55 Cb -0.19 -2.70 -0.17 0.00 0.56 0.00 0.00 36.38 33.88 3g71 s VAL 55 CO 0.24 0.55 1.01 -2.65 -0.31 0.00 0.00 175.10 173.94 3g71 n PRO 56 N 2.01 0.66 -0.34 4.82 -0.02 -1.26 -4.99 135.00 135.88 3g71 n PRO 56 Ca -0.18 0.23 -0.11 0.00 -2.02 0.00 0.00 63.50 61.43 3g71 n PRO 56 Cb 0.53 -1.63 0.09 0.00 -0.02 0.00 0.00 33.50 32.47 3g71 n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g71 n GLY 57 N 1.88 -2.67 0.00 -1.23 0.00 -1.26 -5.09 105.19 96.82 3g71 n GLY 57 Ca 0.17 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3g71 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g71 n GLY 58 N -0.26 -1.08 3.40 -0.02 0.00 -1.26 -5.12 105.19 100.86 3g71 n GLY 58 Ca 0.05 -1.61 -0.21 0.00 0.00 0.00 0.00 46.02 44.26 3g71 n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g71 s ASP 59 N -1.08 2.89 0.25 1.61 1.01 -1.26 -5.15 116.67 114.95 3g71 s ASP 59 Ca 0.00 -1.07 -0.12 0.00 0.71 0.00 0.00 52.55 52.07 3g71 s ASP 59 Cb 0.00 -0.19 -0.08 0.00 1.01 0.00 0.00 42.92 43.66 3g71 s ASP 59 CO 0.00 -0.16 0.62 -0.75 0.21 0.00 0.00 175.17 175.08 3g71 s LYS 60 N -3.63 3.91 0.49 8.23 2.47 -1.26 -4.98 119.74 124.96 3g71 s LYS 60 Ca 0.26 0.45 0.20 0.00 -1.56 0.00 0.00 55.97 55.32 3g71 s LYS 60 Cb -0.01 -2.62 1.24 0.00 -1.46 0.00 0.00 37.83 34.98 3g71 s LYS 60 CO 0.10 0.29 2.01 -1.00 0.16 0.00 0.00 175.35 176.91 3g71 h PRO 61 N 2.61 0.16 -3.53 4.03 0.13 -2.05 -3.41 132.00 129.94 3g71 h PRO 61 Ca -0.47 -0.01 -0.28 0.00 -0.87 0.00 0.00 66.00 64.37 3g71 h PRO 61 Cb 1.17 -0.03 -0.32 0.00 0.13 0.00 0.00 31.00 31.95 3g71 h PRO 61 CO 0.67 0.10 -0.71 0.99 -0.23 0.00 0.00 178.00 178.83 3g71 s THR 62 N -5.17 -0.05 0.31 1.56 2.01 -1.26 -5.04 115.64 108.00 3g71 s THR 62 Ca -0.06 0.17 -0.01 0.00 0.31 0.00 0.00 61.69 62.10 3g71 s THR 62 Cb 0.19 -0.09 -0.04 0.00 0.01 0.00 0.00 72.50 72.58 3g71 s THR 62 CO 0.73 0.07 0.52 -0.54 -0.69 0.00 0.00 174.62 174.71 3g71 s LYS 63 N 0.86 3.52 0.70 4.92 -0.14 -1.26 -4.91 119.74 123.43 3g71 s LYS 63 Ca -0.07 -0.26 -0.09 0.00 -1.36 0.00 0.00 55.97 54.19 3g71 s LYS 63 Cb -0.10 -2.69 0.04 0.00 -1.68 0.00 0.00 37.83 33.40 3g71 s LYS 63 CO -0.03 0.21 1.04 0.15 -0.76 0.00 0.00 175.35 175.96 3g71 s LYS 64 N -3.98 2.45 -0.13 1.68 1.02 -1.26 -2.58 119.74 116.94 3g71 s LYS 64 Ca 0.40 0.03 -0.29 0.00 0.02 0.00 0.00 55.97 56.13 3g71 s LYS 64 Cb -0.10 -2.12 -0.01 0.00 -0.52 0.00 0.00 37.83 35.08 3g71 s LYS 64 CO 0.33 -1.15 1.07 0.95 -0.92 0.00 0.00 175.35 175.64 3g71 s THR 65 N -3.28 4.62 -0.72 2.17 -4.23 -0.62 -4.84 115.64 108.74 3g71 s THR 65 Ca 0.59 1.91 -0.08 0.00 -1.18 0.00 0.00 61.69 62.94 3g71 s THR 65 Cb -0.11 -4.23 0.19 0.00 1.34 0.00 0.00 72.50 69.69 3g71 s THR 65 CO 0.47 -0.05 0.58 -0.62 -0.54 0.00 0.00 174.62 174.46 3g71 s ASP 66 N 1.26 5.88 0.29 3.99 2.15 -1.26 -4.16 116.67 124.82 3g71 s ASP 66 Ca 0.49 -2.81 0.11 0.00 0.43 0.00 0.00 52.55 50.78 3g71 s ASP 66 Cb -0.19 -2.00 -0.05 0.00 -0.30 0.00 0.00 42.92 40.37 3g71 s ASP 66 CO 0.16 -0.45 -0.17 -0.76 -0.17 0.00 0.00 175.17 173.78 3g71 s LEU 67 N -0.00 2.67 -0.09 -1.34 1.43 -1.26 -2.32 118.68 117.77 3g71 s LEU 67 Ca 0.18 -1.01 0.03 0.00 -1.03 0.00 0.00 54.13 52.29 3g71 s LEU 67 Cb -0.16 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 44.92 3g71 s LEU 67 CO -0.06 0.00 -0.18 -0.54 0.23 0.00 0.00 176.35 175.81 3g71 s LYS 68 N -3.54 2.37 -0.57 1.70 1.02 0.35 -4.59 119.74 116.48 3g71 s LYS 68 Ca 0.30 -0.64 -0.07 0.00 0.02 0.00 0.00 55.97 55.58 3g71 s LYS 68 Cb -0.04 -1.87 0.15 0.00 -0.52 0.00 0.00 37.83 35.54 3g71 s LYS 68 CO 0.16 0.08 0.43 0.71 -0.92 0.00 0.00 175.35 175.80 3g71 s TYR 69 N 0.58 3.49 -0.29 3.18 1.51 -0.93 -1.84 117.35 123.05 3g71 s TYR 69 Ca -0.15 -2.21 -0.24 0.00 -1.01 0.00 0.00 57.07 53.47 3g71 s TYR 69 Cb -0.17 -3.43 -0.00 0.00 -0.11 0.00 0.00 41.96 38.25 3g71 s TYR 69 CO 0.05 -0.95 0.80 1.03 -1.11 0.00 0.00 175.55 175.37 3g71 s ARG 70 N 0.72 4.02 0.33 -0.62 0.52 0.21 -2.02 118.95 122.10 3g71 s ARG 70 Ca 0.11 0.67 -0.29 0.00 -0.52 0.00 0.00 55.73 55.71 3g71 s ARG 70 Cb -0.22 -3.71 -0.10 0.00 0.52 0.00 0.00 34.95 31.44 3g71 s ARG 70 CO -0.03 -0.64 1.29 0.00 0.02 0.00 0.00 175.30 175.94 3g71 h GLY 72 N 3.38 0.00 0.00 0.00 0.00 -1.13 -3.06 103.07 102.26 3g71 h GLY 72 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3g71 h GLY 72 CO 0.65 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.98 3g71 n GLU 73 N -3.52 0.00 0.19 4.80 2.13 -1.26 -4.69 120.64 118.29 3g71 n GLU 73 Ca -0.00 0.04 0.14 0.00 0.66 0.00 0.00 57.16 58.00 3g71 n GLU 73 Cb 0.53 -0.48 0.56 0.00 0.27 0.00 0.00 31.44 32.32 3g71 n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3g71 n GLY 75 N 0.06 0.77 3.61 0.00 0.00 -1.16 -5.03 105.19 103.43 3g71 n GLY 75 Ca 0.02 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 3g71 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g71 s LYS 76 N -3.48 3.85 0.30 1.61 1.02 -1.26 -4.78 119.74 117.00 3g71 s LYS 76 Ca 0.00 -0.39 -0.02 0.00 0.02 0.00 0.00 55.97 55.59 3g71 s LYS 76 Cb 0.00 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 3g71 s LYS 76 CO 0.00 0.29 0.52 0.00 -0.92 0.00 0.00 175.35 175.24 3g71 s ALA 77 N 0.29 3.70 0.06 5.17 0.00 -1.26 -3.01 121.76 126.70 3g71 s ALA 77 Ca 0.02 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.23 3g71 s ALA 77 Cb -0.13 -2.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 3g71 s ALA 77 CO 0.01 0.17 -0.06 -3.38 0.00 0.00 0.00 175.76 172.49 3g71 s HIS 78 N -2.14 0.69 -0.04 0.00 -3.43 -0.86 -4.96 115.29 104.55 3g71 s HIS 78 Ca 0.41 -0.70 -0.03 0.00 -0.80 0.00 0.00 55.06 53.94 3g71 s HIS 78 Cb -0.10 -0.42 -0.04 0.00 -1.43 0.00 0.00 32.58 30.59 3g71 s HIS 78 CO 0.32 -0.15 0.12 -0.51 -2.00 0.00 0.00 174.74 172.53 3g71 s LEU 79 N -2.20 4.14 0.36 5.38 1.43 -1.26 -2.18 118.68 124.36 3g71 s LEU 79 Ca -0.01 0.29 0.06 0.00 -1.03 0.00 0.00 54.13 53.43 3g71 s LEU 79 Cb -0.03 -2.30 -0.07 0.00 0.03 0.00 0.00 46.19 43.82 3g71 s LEU 79 CO -0.03 0.31 0.02 -0.13 0.23 0.00 0.00 176.35 176.76 3g71 s ARG 80 N -1.56 1.80 0.13 1.70 0.52 -1.26 -5.06 118.95 115.22 3g71 s ARG 80 Ca 0.22 -2.00 -0.30 0.00 -0.52 0.00 0.00 55.73 53.12 3g71 s ARG 80 Cb -0.12 -1.28 -0.07 0.00 0.52 0.00 0.00 34.95 34.00 3g71 s ARG 80 CO 0.12 -0.10 1.19 -2.00 0.02 0.00 0.00 175.30 174.54 3g71 s GLU 81 N -3.78 4.48 0.60 3.54 2.12 -1.26 -4.89 118.70 119.50 3g71 s GLU 81 Ca 0.35 1.82 -0.07 0.00 0.36 0.00 0.00 54.97 57.43 3g71 s GLU 81 Cb 0.09 -3.29 0.01 0.00 0.26 0.00 0.00 34.13 31.20 3g71 s GLU 81 CO 0.17 -0.15 0.93 0.20 -0.54 0.00 0.00 175.26 175.86 3g71 s GLY 82 N 0.51 1.61 0.03 -1.50 0.00 -1.26 -5.00 107.32 101.70 3g71 s GLY 82 Ca 0.55 -0.63 0.03 0.00 0.00 0.00 0.00 44.72 44.67 3g71 s GLY 82 CO 0.33 -0.34 -0.09 0.66 0.00 0.00 0.00 173.10 173.66 3g71 s TRP 83 N -3.04 0.80 -0.00 1.90 -2.14 -1.26 -4.76 118.94 110.44 3g71 s TRP 83 Ca 0.54 -0.33 -0.30 0.00 2.66 0.00 0.00 56.10 58.68 3g71 s TRP 83 Cb -0.11 -0.49 -0.08 0.00 -3.10 0.00 0.00 33.47 29.70 3g71 s TRP 83 CO 0.46 -0.02 1.95 1.03 -2.66 0.00 0.00 176.95 177.71 3g71 s ARG 84 N -0.99 4.04 -0.05 3.25 0.52 -1.26 -1.59 118.95 122.88 3g71 s ARG 84 Ca -0.02 2.50 -0.02 0.00 -0.52 0.00 0.00 55.73 57.66 3g71 s ARG 84 Cb -0.07 -4.16 0.04 0.00 0.52 0.00 0.00 34.95 31.27 3g71 s ARG 84 CO 0.00 -1.06 0.09 0.00 0.02 0.00 0.00 175.30 174.36 3g71 s ALA 85 N 4.81 -0.04 0.27 2.13 0.00 -1.07 -4.97 121.76 122.89 3g71 s ALA 85 Ca 0.88 0.45 -0.00 0.00 0.00 0.00 0.00 51.96 53.28 3g71 s ALA 85 Cb -0.40 -0.48 0.37 0.00 0.00 0.00 0.00 23.12 22.61 3g71 s ALA 85 CO 0.39 -0.27 1.75 0.78 0.00 0.00 0.00 175.76 178.42 3g71 h GLY 86 N 7.67 0.73 -5.19 0.00 0.00 -1.94 -3.39 103.07 100.95 3g71 h GLY 86 Ca -0.33 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.39 3g71 h GLY 86 CO 0.35 0.48 -0.12 -1.60 0.00 0.00 0.00 176.54 175.65 3g71 s ARG 87 N -4.83 0.59 -0.26 4.80 3.52 -1.26 -4.96 118.95 116.55 3g71 s ARG 87 Ca -0.09 0.75 0.00 0.00 -0.13 0.00 0.00 55.73 56.27 3g71 s ARG 87 Cb 0.14 0.26 0.07 0.00 -1.56 0.00 0.00 34.95 33.87 3g71 s ARG 87 CO 0.80 -0.08 -0.00 -1.17 -0.81 0.00 0.00 175.30 174.04 3g71 s LEU 88 N 0.44 2.63 -0.06 -0.88 2.96 -1.26 -0.20 118.68 122.31 3g71 s LEU 88 Ca -0.01 -1.35 -0.01 0.00 -0.22 0.00 0.00 54.13 52.54 3g71 s LEU 88 Cb -0.04 -1.11 -0.03 0.00 0.50 0.00 0.00 46.19 45.50 3g71 s LEU 88 CO -0.01 -0.30 0.00 -1.61 -1.32 0.00 0.00 176.35 173.11 3g71 s GLU 89 N 1.43 2.92 0.10 1.98 2.02 -0.91 -5.00 118.70 121.23 3g71 s GLU 89 Ca -0.00 -0.47 -0.10 0.00 0.02 0.00 0.00 54.97 54.41 3g71 s GLU 89 Cb -0.18 -2.75 -0.06 0.00 0.10 0.00 0.00 34.13 31.23 3g71 s GLU 89 CO -0.10 0.68 0.43 -0.06 0.02 0.00 0.00 175.26 176.22 3g71 s PHE 90 N -0.96 3.58 -0.35 1.61 0.40 -1.26 -1.01 117.98 119.99 3g71 s PHE 90 Ca 0.16 0.83 -0.13 0.00 -0.60 0.00 0.00 56.93 57.18 3g71 s PHE 90 Cb -0.11 -2.19 -0.01 0.00 0.51 0.00 0.00 43.02 41.21 3g71 s PHE 90 CO 0.05 0.49 0.26 -0.65 0.70 0.00 0.00 175.22 176.08 3g71 s GLN 91 N -1.98 3.45 0.00 0.44 -0.21 0.49 -4.88 119.66 116.97 3g71 s GLN 91 Ca 0.35 -0.65 0.00 0.00 0.02 0.00 0.00 55.36 55.07 3g71 s GLN 91 Cb -0.14 -3.83 0.00 0.00 1.00 0.00 0.00 33.01 30.04 3g71 s GLN 91 CO 0.19 -0.49 0.00 0.39 -2.12 0.00 0.00 175.29 173.26