#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n91 n ASP 2 N 0.00 3.00 0.02 6.12 -0.08 -1.26 -4.88 116.55 119.47 1n91 n ASP 2 Ca 0.00 1.05 -0.10 0.00 -1.51 0.00 0.00 54.79 54.23 1n91 n ASP 2 Cb 0.00 -1.37 -0.13 0.00 2.34 0.00 0.00 41.12 41.96 1n91 n ASP 2 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1n91 h GLY 3 N 6.83 0.07 0.00 0.27 0.00 -2.05 -3.47 103.07 104.72 1n91 h GLY 3 Ca -0.46 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1n91 h GLY 3 CO 0.90 0.17 0.00 -0.62 0.00 0.00 0.00 176.54 176.98 1n91 n VAL 4 N -3.23 0.00 -3.09 4.60 0.31 -1.26 -4.53 118.33 111.13 1n91 n VAL 4 Ca -0.13 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.75 1n91 n VAL 4 Cb 1.02 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.91 1n91 n VAL 4 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n91 s MET 5 N 0.00 3.14 0.00 5.55 0.23 -1.26 -4.97 119.30 121.99 1n91 s MET 5 Ca 0.00 -1.41 0.00 0.00 -1.03 0.00 0.00 55.69 53.25 1n91 s MET 5 Cb 0.00 -4.34 0.00 0.00 -1.53 0.00 0.00 34.83 28.96 1n91 s MET 5 CO 0.00 -1.57 0.00 0.45 -2.03 0.00 0.00 175.02 171.87 1n91 n SER 6 N 6.29 1.50 0.00 -1.18 2.88 -1.18 -4.91 113.62 117.02 1n91 n SER 6 Ca -0.04 -0.77 0.00 0.00 -1.33 0.00 0.00 58.87 56.72 1n91 n SER 6 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1n91 n SER 6 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n91 n ALA 7 N -3.00 0.00 -2.90 -1.46 0.00 -1.26 -3.79 120.51 108.10 1n91 n ALA 7 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1n91 n ALA 7 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1n91 n ALA 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1n91 s VAL 8 N 0.00 0.02 -0.18 0.00 -7.23 -1.26 0.12 120.40 111.87 1n91 s VAL 8 Ca 0.00 -1.45 -0.06 0.00 -1.81 0.00 0.00 61.98 58.66 1n91 s VAL 8 Cb 0.00 -2.10 0.08 0.00 0.56 0.00 0.00 36.38 34.93 1n91 s VAL 8 CO 0.00 -0.10 0.38 -0.89 -0.31 0.00 0.00 175.10 174.18 1n91 s THR 9 N -4.01 -0.54 -0.70 5.32 2.01 -1.12 -4.93 115.64 111.65 1n91 s THR 9 Ca 0.22 0.19 -0.19 0.00 0.31 0.00 0.00 61.69 62.22 1n91 s THR 9 Cb 0.02 -0.60 0.11 0.00 0.01 0.00 0.00 72.50 72.03 1n91 s THR 9 CO 0.06 0.08 0.87 0.68 -0.69 0.00 0.00 174.62 175.62 1n91 s VAL 10 N 2.47 4.74 0.00 3.82 -7.23 -1.26 -0.63 120.40 122.30 1n91 s VAL 10 Ca -0.02 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 1n91 s VAL 10 Cb -0.12 -4.60 0.00 0.00 0.56 0.00 0.00 36.38 32.22 1n91 s VAL 10 CO -0.12 -1.29 0.00 0.59 -0.31 0.00 0.00 175.10 173.98 1n91 n ASN 11 N 6.55 0.00 -1.37 4.85 4.13 -0.86 -4.96 115.26 123.60 1n91 n ASN 11 Ca 0.01 -0.33 0.10 0.00 1.68 0.00 0.00 54.58 56.05 1n91 n ASN 11 Cb 0.45 0.00 0.32 0.00 -1.54 0.00 0.00 39.78 39.01 1n91 n ASN 11 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1n91 n ASP 12 N -0.98 4.15 -0.00 6.41 2.03 -1.26 -4.05 116.55 122.85 1n91 n ASP 12 Ca 0.00 -2.16 0.00 0.00 0.52 0.00 0.00 54.79 53.15 1n91 n ASP 12 Cb 0.00 -0.50 -0.01 0.00 -0.72 0.00 0.00 41.12 39.89 1n91 n ASP 12 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1n91 n ASP 13 N 1.36 4.79 0.00 1.67 2.03 -1.26 -5.11 116.55 120.03 1n91 n ASP 13 Ca 0.24 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1n91 n ASP 13 Cb 0.70 0.83 0.00 0.00 -0.72 0.00 0.00 41.12 41.93 1n91 n ASP 13 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1n91 n GLY 14 N 2.65 -0.47 3.27 0.27 0.00 -1.26 -2.94 105.19 106.72 1n91 n GLY 14 Ca -0.01 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 1n91 n GLY 14 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1n91 s LEU 15 N 0.00 0.68 -0.03 0.99 2.34 -1.00 -2.02 118.68 119.63 1n91 s LEU 15 Ca 0.00 0.12 0.00 0.00 0.06 0.00 0.00 54.13 54.31 1n91 s LEU 15 Cb 0.00 1.43 -0.03 0.00 -0.56 0.00 0.00 46.19 47.03 1n91 s LEU 15 CO 0.00 -0.49 -0.00 -0.69 -1.06 0.00 0.00 176.35 174.10 1n91 s VAL 16 N -1.51 4.17 -0.49 1.48 1.01 0.19 -0.32 120.40 124.95 1n91 s VAL 16 Ca -0.12 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1n91 s VAL 16 Cb -0.04 -2.81 0.13 0.00 0.00 0.00 0.00 36.38 33.65 1n91 s VAL 16 CO 0.04 0.47 0.28 -0.76 0.00 0.00 0.00 175.10 175.13 1n91 s LEU 17 N -1.28 5.19 -0.37 3.92 2.01 0.20 -2.81 118.68 125.54 1n91 s LEU 17 Ca 0.17 -2.37 -0.11 0.00 0.01 0.00 0.00 54.13 51.84 1n91 s LEU 17 Cb -0.11 -1.82 0.02 0.00 0.01 0.00 0.00 46.19 44.29 1n91 s LEU 17 CO 0.07 -0.46 0.20 -0.13 1.01 0.00 0.00 176.35 177.04 1n91 s ARG 18 N 0.65 2.89 0.36 1.70 0.52 0.32 -2.11 118.95 123.28 1n91 s ARG 18 Ca 0.12 -1.04 -0.01 0.00 -0.52 0.00 0.00 55.73 54.28 1n91 s ARG 18 Cb -0.22 -3.71 0.00 0.00 0.52 0.00 0.00 34.95 31.54 1n91 s ARG 18 CO -0.04 -0.66 0.48 -0.48 0.02 0.00 0.00 175.30 174.61 1n91 s LEU 19 N 1.56 1.12 -0.30 2.53 0.05 -0.78 -4.43 118.68 118.43 1n91 s LEU 19 Ca 0.02 -1.56 -0.07 0.00 0.05 0.00 0.00 54.13 52.58 1n91 s LEU 19 Cb -0.19 1.43 0.01 0.00 -2.05 0.00 0.00 46.19 45.39 1n91 s LEU 19 CO 0.07 -1.32 0.08 -0.47 -0.55 0.00 0.00 176.35 174.16 1n91 s TYR 20 N -2.94 3.15 0.04 3.48 5.04 0.65 -1.04 117.35 125.73 1n91 s TYR 20 Ca 0.31 -0.99 -0.25 0.00 -2.44 0.00 0.00 57.07 53.70 1n91 s TYR 20 Cb -0.01 -2.26 -0.05 0.00 0.35 0.00 0.00 41.96 40.00 1n91 s TYR 20 CO 0.22 -0.58 0.79 0.42 -1.34 0.00 0.00 175.55 175.06 1n91 s ILE 21 N 1.50 4.76 -0.56 3.14 -1.09 0.30 -2.09 121.20 127.15 1n91 s ILE 21 Ca 0.02 1.67 0.04 0.00 -2.23 0.00 0.00 60.65 60.16 1n91 s ILE 21 Cb -0.17 -4.14 0.14 0.00 -1.58 0.00 0.00 42.46 36.71 1n91 s ILE 21 CO 0.02 0.34 0.32 -1.58 -1.23 0.00 0.00 174.94 172.81 1n91 s GLN 22 N 0.11 2.04 0.70 2.79 -0.44 0.68 -4.74 119.66 120.80 1n91 s GLN 22 Ca 0.40 -2.76 -0.13 0.00 -2.50 0.00 0.00 55.36 50.37 1n91 s GLN 22 Cb -0.20 -3.26 0.02 0.00 -1.64 0.00 0.00 33.01 27.92 1n91 s GLN 22 CO 0.23 -1.16 1.10 -2.14 0.50 0.00 0.00 175.29 173.82 1n91 s PRO 23 N -0.54 2.64 -0.61 1.67 0.02 -1.26 -1.64 135.00 135.28 1n91 s PRO 23 Ca 0.19 1.30 -0.00 0.00 0.02 0.00 0.00 61.00 62.51 1n91 s PRO 23 Cb -0.20 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.38 1n91 s PRO 23 CO -0.04 -1.36 0.51 1.63 -0.33 0.00 0.00 177.00 177.41 1n91 n LYS 24 N -2.79 -3.39 -0.03 5.54 5.02 -0.71 -4.88 118.16 116.92 1n91 n LYS 24 Ca 0.10 0.43 -0.02 0.00 -2.02 0.00 0.00 58.31 56.80 1n91 n LYS 24 Cb 0.52 -4.21 -0.01 0.00 -0.02 0.00 0.00 35.03 31.31 1n91 n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n91 n ALA 25 N -2.62 0.23 0.00 7.82 0.00 -1.14 -5.03 120.51 119.77 1n91 n ALA 25 Ca -0.14 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1n91 n ALA 25 Cb 0.59 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1n91 n ALA 25 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1n91 n SER 26 N -3.06 0.00 -3.62 0.00 7.64 -1.26 -5.04 113.62 108.28 1n91 n SER 26 Ca -0.04 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.77 1n91 n SER 26 Cb 0.13 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.27 1n91 n SER 26 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1n91 s ARG 27 N 0.00 0.42 -0.72 1.43 3.52 -1.26 -4.85 118.95 117.48 1n91 s ARG 27 Ca 0.00 0.31 -0.26 0.00 -0.13 0.00 0.00 55.73 55.65 1n91 s ARG 27 Cb 0.00 0.20 -0.11 0.00 -1.56 0.00 0.00 34.95 33.48 1n91 s ARG 27 CO 0.00 -0.09 2.35 -0.51 -0.81 0.00 0.00 175.30 176.24 1n91 s ASP 28 N -0.36 4.18 -0.08 -2.12 1.11 -1.18 -4.45 116.67 113.78 1n91 s ASP 28 Ca 0.03 0.24 0.03 0.00 0.18 0.00 0.00 52.55 53.03 1n91 s ASP 28 Cb -0.03 -2.54 0.01 0.00 1.07 0.00 0.00 42.92 41.43 1n91 s ASP 28 CO -0.05 -3.49 -0.18 -0.94 1.18 0.00 0.00 175.17 171.69 1n91 s SER 29 N 10.83 2.44 -1.18 0.27 1.04 -0.64 -4.94 113.70 121.52 1n91 s SER 29 Ca 0.91 -0.43 -0.05 0.00 0.48 0.00 0.00 55.95 56.86 1n91 s SER 29 Cb -0.13 -1.11 0.22 0.00 0.10 0.00 0.00 66.02 65.10 1n91 s SER 29 CO 0.12 0.10 1.97 2.30 0.98 0.00 0.00 173.24 178.71 1n91 n ILE 30 N 3.64 5.38 -0.50 -1.02 -5.35 -1.26 -0.68 119.36 119.56 1n91 n ILE 30 Ca -0.21 -5.13 0.06 0.00 -0.27 0.00 0.00 62.75 57.20 1n91 n ILE 30 Cb 0.52 -1.96 0.33 0.00 -1.74 0.00 0.00 39.64 36.78 1n91 n ILE 30 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1n91 n VAL 31 N 1.39 2.17 -2.48 7.28 0.31 -1.25 -4.17 118.33 121.57 1n91 n VAL 31 Ca 0.47 -1.11 0.01 0.00 -0.01 0.00 0.00 64.34 63.70 1n91 n VAL 31 Cb 0.29 -0.29 0.02 0.00 -0.91 0.00 0.00 33.84 32.94 1n91 n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n91 n GLY 32 N 0.55 1.09 3.70 2.92 0.00 -0.82 -5.06 105.19 107.58 1n91 n GLY 32 Ca 0.22 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1n91 n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n91 s LEU 33 N -0.81 4.35 0.22 0.99 1.43 -1.24 -1.60 118.68 122.03 1n91 s LEU 33 Ca 0.26 2.39 0.09 0.00 -1.03 0.00 0.00 54.13 55.85 1n91 s LEU 33 Cb 0.32 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 1n91 s LEU 33 CO -0.12 -0.81 -0.02 -2.28 0.23 0.00 0.00 176.35 173.35 1n91 s HIS 34 N 2.23 2.72 0.33 0.29 2.46 0.12 -4.88 115.29 118.56 1n91 s HIS 34 Ca 0.70 -0.20 0.18 0.00 0.47 0.00 0.00 55.06 56.21 1n91 s HIS 34 Cb -0.38 -1.26 0.90 0.00 -0.13 0.00 0.00 32.58 31.71 1n91 s HIS 34 CO 0.30 0.57 1.87 0.78 -2.47 0.00 0.00 174.74 175.79 1n91 h GLY 35 N 2.31 0.00 0.00 1.59 0.00 -1.95 -3.04 103.07 101.97 1n91 h GLY 35 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1n91 h GLY 35 CO 0.58 0.00 -0.99 1.22 0.00 0.00 0.00 176.54 177.36 1n91 n ASP 36 N -3.82 1.33 -2.72 0.19 9.92 -1.26 -4.67 116.55 115.52 1n91 n ASP 36 Ca -0.01 -0.42 -0.15 0.00 -0.53 0.00 0.00 54.79 53.68 1n91 n ASP 36 Cb 0.39 1.24 -0.05 0.00 -0.64 0.00 0.00 41.12 42.06 1n91 n ASP 36 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1n91 n GLU 37 N -1.56 0.38 -3.61 -1.24 1.02 -1.15 -3.08 120.64 111.40 1n91 n GLU 37 Ca 0.00 -2.53 -0.18 0.00 -0.02 0.00 0.00 57.16 54.43 1n91 n GLU 37 Cb 0.24 2.15 -0.15 0.00 -0.02 0.00 0.00 31.44 33.66 1n91 n GLU 37 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1n91 s VAL 38 N -2.99 -0.28 -0.22 2.62 1.01 -1.26 0.15 120.40 119.42 1n91 s VAL 38 Ca 0.30 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 1n91 s VAL 38 Cb 0.01 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.95 1n91 s VAL 38 CO 0.21 -0.00 -0.10 -0.75 0.00 0.00 0.00 175.10 174.45 1n91 s LYS 39 N 2.30 2.98 0.13 2.72 2.20 -0.63 -0.25 119.74 129.19 1n91 s LYS 39 Ca 0.04 -0.87 0.11 0.00 -0.36 0.00 0.00 55.97 54.89 1n91 s LYS 39 Cb -0.14 -2.86 -0.04 0.00 -1.51 0.00 0.00 37.83 33.29 1n91 s LYS 39 CO -0.08 -0.30 -0.27 0.54 -0.36 0.00 0.00 175.35 174.88 1n91 s VAL 40 N 1.34 2.24 -0.38 4.02 0.11 -0.89 -1.94 120.40 124.90 1n91 s VAL 40 Ca 0.03 -1.74 -0.04 0.00 -2.93 0.00 0.00 61.98 57.30 1n91 s VAL 40 Cb -0.15 -1.98 0.09 0.00 -1.53 0.00 0.00 36.38 32.80 1n91 s VAL 40 CO -0.07 0.09 0.16 0.00 -3.33 0.00 0.00 175.10 171.95 1n91 s ALA 41 N -1.05 3.08 0.25 1.54 0.00 0.14 -0.23 121.76 125.49 1n91 s ALA 41 Ca 0.14 -2.26 -0.18 0.00 0.00 0.00 0.00 51.96 49.66 1n91 s ALA 41 Cb -0.10 -2.32 -0.08 0.00 0.00 0.00 0.00 23.12 20.62 1n91 s ALA 41 CO 0.06 -1.63 0.71 -1.50 0.00 0.00 0.00 175.76 173.40 1n91 s ILE 42 N 1.22 4.63 -1.09 0.00 1.10 -0.65 -1.62 121.20 124.79 1n91 s ILE 42 Ca 0.04 1.13 0.06 0.00 -0.51 0.00 0.00 60.65 61.37 1n91 s ILE 42 Cb -0.22 -3.77 0.29 0.00 0.15 0.00 0.00 42.46 38.91 1n91 s ILE 42 CO -0.02 0.08 1.03 1.07 -2.11 0.00 0.00 174.94 174.99 1n91 n THR 43 N 0.37 0.83 -3.87 4.00 5.66 -1.26 -1.74 114.28 118.27 1n91 n THR 43 Ca -0.01 -0.47 -0.31 0.00 -3.05 0.00 0.00 64.05 60.21 1n91 n THR 43 Cb 0.52 -0.25 -0.04 0.00 -1.55 0.00 0.00 70.33 69.01 1n91 n THR 43 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1n91 s ALA 44 N -1.65 3.96 1.10 1.79 0.00 -1.26 -4.67 121.76 121.04 1n91 s ALA 44 Ca 0.20 -0.78 -0.16 0.00 0.00 0.00 0.00 51.96 51.21 1n91 s ALA 44 Cb 0.14 -1.89 0.17 0.00 0.00 0.00 0.00 23.12 21.54 1n91 s ALA 44 CO 0.08 0.79 0.27 -2.30 0.00 0.00 0.00 175.76 174.60 1n91 n PRO 45 N 0.29 -2.34 -0.00 0.00 -0.01 -1.26 -2.69 135.00 128.98 1n91 n PRO 45 Ca -0.05 -0.69 0.15 0.00 -0.01 0.00 0.00 63.50 62.91 1n91 n PRO 45 Cb 0.51 -1.59 0.91 0.00 -0.01 0.00 0.00 33.50 33.32 1n91 n PRO 45 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 175.50 175.14 1n91 n PRO 46 N -2.28 1.01 -2.77 0.52 -0.05 -1.26 -4.34 135.00 125.83 1n91 n PRO 46 Ca 0.05 -0.02 -0.28 0.00 -0.05 0.00 0.00 63.50 63.20 1n91 n PRO 46 Cb 0.47 -1.48 -0.01 0.00 -0.05 0.00 0.00 33.50 32.43 1n91 n PRO 46 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 1n91 s VAL 47 N -2.00 4.90 -0.05 0.52 -7.23 -1.26 -4.96 120.40 110.32 1n91 s VAL 47 Ca 0.46 0.24 -0.16 0.00 -1.81 0.00 0.00 61.98 60.71 1n91 s VAL 47 Cb 0.21 -3.83 -0.11 0.00 0.56 0.00 0.00 36.38 33.22 1n91 s VAL 47 CO 0.36 -0.74 0.65 0.44 -0.31 0.00 0.00 175.10 175.50 1n91 h ASP 48 N 0.55 -0.28 -0.83 4.85 3.32 -1.89 0.38 116.42 122.52 1n91 h ASP 48 Ca -0.47 -0.15 0.23 0.00 0.02 0.00 0.00 57.03 56.66 1n91 h ASP 48 Cb 1.20 0.07 -0.16 0.00 0.22 0.00 0.00 39.33 40.67 1n91 h ASP 48 CO 0.62 0.22 0.03 0.61 -1.72 0.00 0.00 179.24 179.00 1n91 n GLY 49 N 0.68 -1.12 0.07 2.75 0.00 -1.26 0.20 105.19 106.52 1n91 n GLY 49 Ca -0.06 0.81 -0.13 0.00 0.00 0.00 0.00 46.02 46.64 1n91 n GLY 49 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1n91 h GLN 50 N 0.00 0.00 0.61 1.61 7.50 -1.93 -3.11 115.11 119.79 1n91 h GLN 50 Ca 0.51 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.63 1n91 h GLN 50 Cb 1.06 0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.60 1n91 h GLN 50 CO -0.78 0.78 -0.29 0.00 -1.50 0.00 0.00 178.83 177.04 1n91 h ALA 51 N -0.32 -0.82 -0.53 3.87 0.00 0.56 -2.27 119.26 119.75 1n91 h ALA 51 Ca -0.08 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.75 1n91 h ALA 51 Cb 0.88 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 18.88 1n91 h ALA 51 CO -0.05 -0.95 -0.35 -0.97 0.00 0.00 0.00 179.25 176.93 1n91 h ASN 52 N -0.83 -1.20 -0.45 0.00 -0.73 0.21 0.25 115.58 112.83 1n91 h ASN 52 Ca -0.08 0.22 0.09 0.00 1.87 0.00 0.00 56.30 58.40 1n91 h ASN 52 Cb 0.63 0.58 -0.10 0.00 0.27 0.00 0.00 38.32 39.70 1n91 h ASN 52 CO 0.14 -0.32 -0.24 0.28 -0.37 0.00 0.00 177.43 176.92 1n91 h SER 53 N -0.20 -0.83 0.33 1.15 0.02 -1.46 -0.42 113.55 112.14 1n91 h SER 53 Ca 0.21 0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1n91 h SER 53 Cb 0.55 0.43 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1n91 h SER 53 CO -0.64 -0.26 -0.33 0.45 -1.14 0.00 0.00 176.83 174.91 1n91 h HIS 54 N -0.15 -0.89 -0.64 3.45 3.86 -0.41 0.17 115.15 120.55 1n91 h HIS 54 Ca 0.21 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.49 1n91 h HIS 54 Cb 0.48 0.35 -0.09 0.00 1.06 0.00 0.00 27.41 29.20 1n91 h HIS 54 CO -0.49 -0.47 -0.55 -0.07 0.86 0.00 0.00 177.93 177.21 1n91 h LEU 55 N -0.68 -1.91 -2.05 2.43 4.07 0.21 1.30 115.31 118.68 1n91 h LEU 55 Ca -0.02 0.27 0.06 0.00 0.08 0.00 0.00 57.88 58.27 1n91 h LEU 55 Cb 0.62 0.81 -0.01 0.00 1.08 0.00 0.00 40.66 43.17 1n91 h LEU 55 CO -0.06 -0.31 0.15 0.58 -1.08 0.00 0.00 178.44 177.71 1n91 h VAL 56 N -0.22 0.83 0.03 1.22 2.07 -0.92 -2.51 116.25 116.75 1n91 h VAL 56 Ca 0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 1n91 h VAL 56 Cb 0.49 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1n91 h VAL 56 CO -0.71 0.00 -0.02 0.50 0.02 0.00 0.00 177.57 177.36 1n91 h LYS 57 N 0.00 -0.04 -0.95 1.57 3.64 0.39 -0.78 116.57 120.40 1n91 h LYS 57 Ca 0.10 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.71 1n91 h LYS 57 Cb 0.40 0.01 -0.18 0.00 -0.41 0.00 0.00 32.23 32.05 1n91 h LYS 57 CO -0.00 -0.03 -0.11 0.34 -2.27 0.00 0.00 179.45 177.38 1n91 n PHE 58 N -2.50 0.48 0.08 1.91 7.35 0.37 0.12 117.46 125.27 1n91 n PHE 58 Ca -0.01 1.16 -0.13 0.00 -0.76 0.00 0.00 57.45 57.72 1n91 n PHE 58 Cb 0.02 -1.14 -0.06 0.00 0.35 0.00 0.00 39.48 38.65 1n91 n PHE 58 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1n91 h LEU 59 N 0.00 0.43 -1.44 -2.13 4.07 -1.60 -2.26 115.31 112.38 1n91 h LEU 59 Ca 0.52 -0.38 0.12 0.00 0.08 0.00 0.00 57.88 58.22 1n91 h LEU 59 Cb 0.95 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 42.50 1n91 h LEU 59 CO -0.94 1.20 0.51 1.23 -1.08 0.00 0.00 178.44 179.36 1n91 h GLY 60 N 1.49 0.91 0.00 0.83 0.00 0.25 0.72 103.07 107.28 1n91 h GLY 60 Ca -0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1n91 h GLY 60 CO 0.17 0.12 -0.11 0.50 0.00 0.00 0.00 176.54 177.21 1n91 h LYS 61 N 0.59 0.00 -0.34 4.80 1.57 -0.77 -0.37 116.57 122.06 1n91 h LYS 61 Ca 0.37 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.16 1n91 h LYS 61 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1n91 h LYS 61 CO -0.14 0.78 0.20 1.96 -0.57 0.00 0.00 179.45 181.69 1n91 h GLN 62 N -1.00 0.39 0.00 3.15 1.08 -1.05 -2.74 115.11 114.94 1n91 h GLN 62 Ca -0.03 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1n91 h GLN 62 Cb 0.82 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1n91 h GLN 62 CO -0.02 0.26 -0.59 0.74 -0.95 0.00 0.00 178.83 178.28 1n91 h PHE 63 N 0.41 0.00 0.00 2.96 -1.00 0.29 -3.43 116.94 116.16 1n91 h PHE 63 Ca 0.13 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.91 1n91 h PHE 63 Cb -0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1n91 h PHE 63 CO -0.07 0.00 0.00 0.54 -1.61 0.00 0.00 178.31 177.17 1n91 n ARG 64 N -2.72 -1.05 -0.91 1.51 1.74 -0.15 -2.34 116.66 112.73 1n91 n ARG 64 Ca 0.02 0.25 -0.30 0.00 -0.77 0.00 0.00 57.85 57.06 1n91 n ARG 64 Cb 0.52 -4.65 0.24 0.00 -1.02 0.00 0.00 32.46 27.55 1n91 n ARG 64 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1n91 s VAL 65 N -0.96 1.66 0.56 1.55 -7.23 -1.24 -4.92 120.40 109.82 1n91 s VAL 65 Ca 0.00 0.00 -0.06 0.00 -1.81 0.00 0.00 61.98 60.11 1n91 s VAL 65 Cb 0.00 -2.37 -0.00 0.00 0.56 0.00 0.00 36.38 34.57 1n91 s VAL 65 CO 0.00 0.00 0.86 0.00 -0.31 0.00 0.00 175.10 175.65 1n91 s ALA 66 N -2.81 3.34 0.09 1.32 0.00 -1.26 -4.88 121.76 117.57 1n91 s ALA 66 Ca 0.69 -0.65 0.30 0.00 0.00 0.00 0.00 51.96 52.30 1n91 s ALA 66 Cb -0.14 -2.59 1.19 0.00 0.00 0.00 0.00 23.12 21.58 1n91 s ALA 66 CO 0.58 -0.67 1.92 1.57 0.00 0.00 0.00 175.76 179.16 1n91 h LYS 67 N -0.05 0.00 -0.00 0.00 2.10 -1.95 -1.75 116.57 114.91 1n91 h LYS 67 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1n91 h LYS 67 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1n91 h LYS 67 CO 0.61 0.07 -0.03 0.45 -2.00 0.00 0.00 179.45 178.54 1n91 n SER 68 N -3.19 0.05 -0.27 7.07 2.88 -1.26 -3.17 113.62 115.73 1n91 n SER 68 Ca 0.01 0.26 0.06 0.00 -1.33 0.00 0.00 58.87 57.87 1n91 n SER 68 Cb 0.35 -0.39 -0.01 0.00 -0.75 0.00 0.00 64.21 63.42 1n91 n SER 68 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n91 n GLN 69 N -1.43 1.97 -3.37 -1.46 6.02 -0.67 -4.87 117.38 113.57 1n91 n GLN 69 Ca 0.09 -0.64 -0.45 0.00 -0.01 0.00 0.00 57.00 55.99 1n91 n GLN 69 Cb 0.31 -1.17 -0.06 0.00 1.02 0.00 0.00 30.24 30.34 1n91 n GLN 69 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1n91 s VAL 70 N -1.67 5.04 -0.16 5.09 0.11 -1.11 -1.04 120.40 126.66 1n91 s VAL 70 Ca 0.10 -1.46 -0.00 0.00 -2.93 0.00 0.00 61.98 57.69 1n91 s VAL 70 Cb 0.10 -4.20 -0.00 0.00 -1.53 0.00 0.00 36.38 30.76 1n91 s VAL 70 CO 0.34 -0.79 -0.14 -0.69 -3.33 0.00 0.00 175.10 170.49 1n91 s VAL 71 N 1.57 2.73 -0.87 2.04 1.01 -0.39 -4.88 120.40 121.60 1n91 s VAL 71 Ca 0.04 -0.74 -0.22 0.00 0.00 0.00 0.00 61.98 61.05 1n91 s VAL 71 Cb -0.28 -2.16 0.08 0.00 0.00 0.00 0.00 36.38 34.01 1n91 s VAL 71 CO 0.03 0.51 1.21 -0.63 0.00 0.00 0.00 175.10 176.22 1n91 s ILE 72 N 0.88 4.24 -0.33 2.22 1.01 -1.26 0.14 121.20 128.10 1n91 s ILE 72 Ca -0.04 -0.76 0.26 0.00 0.00 0.00 0.00 60.65 60.11 1n91 s ILE 72 Cb -0.15 -4.87 0.29 0.00 0.01 0.00 0.00 42.46 37.74 1n91 s ILE 72 CO -0.01 -1.68 1.79 -0.33 0.00 0.00 0.00 174.94 174.70 1n91 h GLU 73 N 9.47 0.00 0.00 2.79 5.08 0.09 -3.47 114.58 128.55 1n91 h GLU 73 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1n91 h GLU 73 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1n91 h GLU 73 CO 1.25 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.89 1n91 n LYS 74 N -2.46 0.00 -0.30 2.33 5.02 -1.20 -4.98 118.16 116.57 1n91 n LYS 74 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1n91 n LYS 74 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.26 1n91 n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n91 n GLY 75 N -0.26 0.77 0.58 0.72 0.00 -1.26 -0.08 105.19 105.66 1n91 n GLY 75 Ca 0.00 0.00 0.45 0.00 0.00 0.00 0.00 46.02 46.47 1n91 n GLY 75 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1n91 n GLU 76 N -2.00 -0.01 0.00 1.61 2.13 -1.26 -2.88 120.64 118.23 1n91 n GLU 76 Ca 0.00 1.03 0.00 0.00 0.66 0.00 0.00 57.16 58.85 1n91 n GLU 76 Cb 0.00 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 29.46 1n91 n GLU 76 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1n91 n LEU 77 N -3.98 0.96 -4.71 4.31 0.00 -1.26 -4.65 117.00 107.67 1n91 n LEU 77 Ca 0.39 0.00 -0.38 0.00 0.00 0.00 0.00 56.01 56.02 1n91 n LEU 77 Cb 1.70 0.00 0.05 0.00 0.00 0.00 0.00 43.42 45.17 1n91 n LEU 77 CO 0.33 0.07 0.87 0.61 0.00 0.00 0.00 177.39 179.27 1n91 n GLY 78 N 2.63 0.48 0.29 -3.96 0.00 -1.14 -4.78 105.19 98.70 1n91 n GLY 78 Ca 0.00 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.05 1n91 n GLY 78 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1n91 h ARG 79 N 0.92 0.00 -7.34 1.61 3.08 -1.85 -3.41 114.38 107.39 1n91 h ARG 79 Ca -0.50 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.07 1n91 h ARG 79 Cb 1.33 0.00 0.15 0.00 0.08 0.00 0.00 29.97 31.53 1n91 h ARG 79 CO 0.54 0.00 0.25 -1.01 -1.07 0.00 0.00 179.97 178.68 1n91 s HIS 80 N -3.84 2.31 -0.17 3.04 3.76 -1.26 0.11 115.29 119.23 1n91 s HIS 80 Ca -0.02 1.23 -0.11 0.00 -0.15 0.00 0.00 55.06 56.01 1n91 s HIS 80 Cb 0.06 -3.17 0.05 0.00 1.11 0.00 0.00 32.58 30.63 1n91 s HIS 80 CO 0.18 -2.42 0.43 0.21 -0.85 0.00 0.00 174.74 172.29 1n91 s LYS 81 N -4.94 0.44 -0.40 1.40 2.20 -0.20 -4.29 119.74 113.94 1n91 s LYS 81 Ca 0.63 0.75 0.03 0.00 -0.36 0.00 0.00 55.97 57.03 1n91 s LYS 81 Cb -0.18 0.06 0.16 0.00 -1.51 0.00 0.00 37.83 36.36 1n91 s LYS 81 CO 0.57 -0.13 0.31 -0.65 -0.36 0.00 0.00 175.35 175.09 1n91 s GLN 82 N 1.07 0.84 -0.04 4.03 -0.21 0.89 -1.87 119.66 124.38 1n91 s GLN 82 Ca -0.07 -1.96 -0.13 0.00 0.02 0.00 0.00 55.36 53.22 1n91 s GLN 82 Cb -0.07 -1.41 -0.05 0.00 1.00 0.00 0.00 33.01 32.48 1n91 s GLN 82 CO -0.09 -1.35 0.34 0.42 -2.12 0.00 0.00 175.29 172.48 1n91 s ILE 83 N 0.25 5.16 -0.19 1.08 1.01 -0.90 0.84 121.20 128.47 1n91 s ILE 83 Ca 0.30 0.67 -0.05 0.00 0.00 0.00 0.00 60.65 61.57 1n91 s ILE 83 Cb -0.02 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1n91 s ILE 83 CO -0.16 0.58 -0.01 -0.75 0.00 0.00 0.00 174.94 174.61 1n91 s LYS 84 N -1.00 3.65 -0.51 2.79 2.36 0.37 0.59 119.74 127.98 1n91 s LYS 84 Ca 0.21 -0.51 -0.10 0.00 -2.55 0.00 0.00 55.97 53.02 1n91 s LYS 84 Cb -0.15 -3.03 0.13 0.00 -1.05 0.00 0.00 37.83 33.72 1n91 s LYS 84 CO 0.11 0.09 0.39 0.42 1.55 0.00 0.00 175.35 177.91 1n91 s ILE 85 N 0.78 4.36 0.45 5.43 1.09 0.56 -1.26 121.20 132.62 1n91 s ILE 85 Ca -0.00 -1.88 -0.19 0.00 -1.10 0.00 0.00 60.65 57.48 1n91 s ILE 85 Cb -0.14 -3.85 -0.10 0.00 -1.06 0.00 0.00 42.46 37.31 1n91 s ILE 85 CO 0.02 -0.81 0.94 -0.63 -0.10 0.00 0.00 174.94 174.36 1n91 s ILE 86 N 1.22 4.47 -0.19 2.92 1.01 -0.20 -2.38 121.20 128.05 1n91 s ILE 86 Ca 0.07 1.32 -0.17 0.00 0.00 0.00 0.00 60.65 61.88 1n91 s ILE 86 Cb -0.25 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.59 1n91 s ILE 86 CO -0.01 -0.45 0.28 0.59 0.00 0.00 0.00 174.94 175.34 1n91 n ASN 87 N -0.99 -5.48 -4.73 3.58 5.03 -1.15 -4.82 115.26 106.71 1n91 n ASN 87 Ca 0.06 0.13 -0.42 0.00 0.87 0.00 0.00 54.58 55.22 1n91 n ASN 87 Cb 0.54 -1.43 -0.03 0.00 -1.02 0.00 0.00 39.78 37.84 1n91 n ASN 87 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 1n91 s PRO 88 N -1.51 4.44 -0.12 3.52 0.02 -1.26 -4.86 135.00 135.24 1n91 s PRO 88 Ca 0.16 1.89 0.11 0.00 0.02 0.00 0.00 61.00 63.18 1n91 s PRO 88 Cb -0.02 -3.26 -0.15 0.00 0.02 0.00 0.00 34.50 31.09 1n91 s PRO 88 CO 0.37 -0.19 0.04 0.94 -0.33 0.00 0.00 177.00 177.82 1n91 n GLN 89 N 3.05 2.00 -3.67 5.54 0.00 -1.26 -4.96 117.38 118.08 1n91 n GLN 89 Ca 0.07 -0.00 -0.13 0.00 -0.00 0.00 0.00 57.00 56.93 1n91 n GLN 89 Cb 0.45 -1.31 -0.13 0.00 0.00 0.00 0.00 30.24 29.25 1n91 n GLN 89 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 1n91 s GLN 90 N -2.29 0.17 -0.27 3.69 0.74 -0.99 -5.03 119.66 115.68 1n91 s GLN 90 Ca -0.06 0.75 -0.03 0.00 0.05 0.00 0.00 55.36 56.07 1n91 s GLN 90 Cb 0.04 -0.01 0.03 0.00 1.10 0.00 0.00 33.01 34.16 1n91 s GLN 90 CO 0.49 -0.27 -0.01 -1.50 -0.55 0.00 0.00 175.29 173.45 1n91 s ILE 91 N 2.32 3.17 1.19 -2.34 2.07 -1.26 -4.21 121.20 122.13 1n91 s ILE 91 Ca -0.00 -1.01 -0.17 0.00 -1.41 0.00 0.00 60.65 58.07 1n91 s ILE 91 Cb -0.12 -2.65 0.28 0.00 0.13 0.00 0.00 42.46 40.10 1n91 s ILE 91 CO -0.09 0.11 1.05 -2.84 -1.91 0.00 0.00 174.94 171.26 1n91 s PRO 92 N 1.36 -1.11 0.47 3.50 0.02 -1.26 -4.90 135.00 133.07 1n91 s PRO 92 Ca -0.00 0.34 0.29 0.00 0.02 0.00 0.00 61.00 61.65 1n91 s PRO 92 Cb -0.17 -1.57 1.00 0.00 0.02 0.00 0.00 34.50 33.77 1n91 s PRO 92 CO -0.02 -3.73 1.84 -1.35 -0.33 0.00 0.00 177.00 173.41 1n91 h PRO 93 N -2.60 0.00 0.23 5.54 0.11 -1.99 -3.13 132.00 130.16 1n91 h PRO 93 Ca -0.52 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1n91 h PRO 93 Cb 1.33 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 1n91 h PRO 93 CO 0.44 0.00 -0.39 1.49 -0.21 0.00 0.00 178.00 179.32 1n91 h GLU 94 N 0.00 -0.64 0.00 1.05 4.22 -2.00 0.54 114.58 117.75 1n91 h GLU 94 Ca 0.00 0.04 -0.07 0.00 0.08 0.00 0.00 59.36 59.42 1n91 h GLU 94 Cb 0.66 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1n91 h GLU 94 CO 0.00 -0.43 -0.31 0.28 -2.18 0.00 0.00 179.01 176.37 1n91 h VAL 95 N -0.67 0.68 0.00 0.32 2.07 -1.95 -2.87 116.25 113.84 1n91 h VAL 95 Ca -0.03 -1.43 -0.09 0.00 0.82 0.00 0.00 66.70 65.97 1n91 h VAL 95 Cb 0.62 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1n91 h VAL 95 CO -0.14 0.30 -0.44 0.00 0.02 0.00 0.00 177.57 177.32 1n91 h ALA 96 N 1.69 1.12 -0.15 1.67 0.00 -1.37 -2.66 119.26 119.56 1n91 h ALA 96 Ca -0.00 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.55 1n91 h ALA 96 Cb 0.92 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1n91 h ALA 96 CO 0.04 0.55 0.35 0.00 0.00 0.00 0.00 179.25 180.19 1n91 h ALA 97 N 1.56 1.61 0.00 0.00 0.00 0.31 1.07 119.26 123.82 1n91 h ALA 97 Ca -0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1n91 h ALA 97 Cb 0.86 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1n91 h ALA 97 CO 0.06 -0.43 -1.89 1.28 0.00 0.00 0.00 179.25 178.27 1n91 n LEU 98 N -3.23 2.71 0.09 0.00 4.77 -1.11 -3.49 117.00 116.74 1n91 n LEU 98 Ca 0.01 -0.04 0.12 0.00 -0.03 0.00 0.00 56.01 56.08 1n91 n LEU 98 Cb 0.45 -0.54 0.46 0.00 -2.33 0.00 0.00 43.42 41.45 1n91 n LEU 98 CO 0.19 0.70 0.88 -0.38 -1.33 0.00 0.00 177.39 177.45 1n91 n ILE 99 N -3.08 0.60 -0.09 -0.08 5.41 -0.98 -3.36 119.36 117.78 1n91 n ILE 99 Ca -0.28 -0.05 -0.10 0.00 1.00 0.00 0.00 62.75 63.32 1n91 n ILE 99 Cb 0.78 -0.77 -0.11 0.00 -0.71 0.00 0.00 39.64 38.83 1n91 n ILE 99 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1n91 n ASN 100 N -2.07 1.64 -3.45 4.38 2.85 0.37 -5.03 115.26 113.95 1n91 n ASN 100 Ca 0.05 -0.04 -0.18 0.00 -0.11 0.00 0.00 54.58 54.30 1n91 n ASN 100 Cb 0.34 0.43 0.01 0.00 1.24 0.00 0.00 39.78 41.79 1n91 n ASN 100 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1n91 n LEU 101 N -2.77 -4.01 0.01 1.20 7.94 -1.21 -4.89 117.00 113.27 1n91 n LEU 101 Ca -0.29 -0.45 0.12 0.00 -1.11 0.00 0.00 56.01 54.28 1n91 n LEU 101 Cb 0.96 -2.29 0.25 0.00 0.53 0.00 0.00 43.42 42.86 1n91 n LEU 101 CO 0.28 -0.38 0.45 -0.62 -1.11 0.00 0.00 177.39 176.01 1n91 n GLU 102 N -1.81 0.07 -1.48 1.96 -0.58 -1.26 -4.74 120.64 112.81 1n91 n GLU 102 Ca -0.15 0.02 -0.12 0.00 -0.42 0.00 0.00 57.16 56.49 1n91 n GLU 102 Cb 0.61 -1.54 -0.10 0.00 -0.57 0.00 0.00 31.44 29.84 1n91 n GLU 102 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1n91 n HIS 103 N -1.65 0.75 -1.04 -0.32 8.25 -1.26 -4.74 115.22 115.21 1n91 n HIS 103 Ca 0.05 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1n91 n HIS 103 Cb 0.36 -2.19 0.00 0.00 1.12 0.00 0.00 29.99 29.28 1n91 n HIS 103 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1n91 n HIS 104 N 16.85 0.00 0.00 4.41 -0.00 -1.26 -4.68 115.22 130.53 1n91 n HIS 104 Ca 0.36 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.54 1n91 n HIS 104 Cb 0.46 0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.34 1n91 n HIS 104 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1n91 n HIS 105 N 14.00 0.00 -3.93 1.57 8.25 -1.26 -4.74 115.22 129.11 1n91 n HIS 105 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1n91 n HIS 105 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1n91 n HIS 105 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1n91 n HIS 106 N 0.00 -1.41 -0.18 4.41 -0.00 -1.26 -4.80 115.22 111.98 1n91 n HIS 106 Ca 0.00 0.27 -0.02 0.00 -0.00 0.00 0.00 57.72 57.97 1n91 n HIS 106 Cb 0.00 -2.44 0.05 0.00 -0.00 0.00 0.00 29.99 27.59 1n91 n HIS 106 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 1n91 h HIS 107 N -1.43 -0.30 0.00 4.41 2.07 -1.95 -3.55 115.15 114.39 1n91 h HIS 107 Ca -0.62 0.05 0.00 0.00 -2.85 0.00 0.00 60.37 56.95 1n91 h HIS 107 Cb 1.25 0.22 0.00 0.00 2.57 0.00 0.00 27.41 31.46 1n91 h HIS 107 CO 0.29 -0.24 0.00 1.58 -3.07 0.00 0.00 177.93 176.48