#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 -3.54 0.00 7.83 -0.08 -1.26 -5.08 116.55 114.42 1n91 n ASP 2 Ca 0.00 0.84 0.00 0.00 -1.51 0.00 0.00 54.79 54.12 1n91 n ASP 2 Cb 0.00 3.36 0.00 0.00 2.34 0.00 0.00 41.12 46.82 1n91 n ASP 2 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1n91 n GLY 3 N -1.42 -2.03 1.08 0.27 0.00 -1.26 -5.01 105.19 96.83 1n91 n GLY 3 Ca 0.00 0.98 0.11 0.00 0.00 0.00 0.00 46.02 47.11 1n91 n GLY 3 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1n91 n VAL 4 N 0.00 0.61 -2.71 1.61 3.14 -1.26 -4.41 118.33 115.31 1n91 n VAL 4 Ca 0.00 -0.74 -0.08 0.00 -2.96 0.00 0.00 64.34 60.57 1n91 n VAL 4 Cb 0.00 0.66 0.10 0.00 -1.06 0.00 0.00 33.84 33.54 1n91 n VAL 4 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 1n91 n MET 5 N 1.28 1.16 -0.87 1.45 0.00 -1.26 -4.77 117.12 114.11 1n91 n MET 5 Ca 0.20 -2.05 0.00 0.00 -0.00 0.00 0.00 57.70 55.85 1n91 n MET 5 Cb 0.54 -0.36 0.00 0.00 0.00 0.00 0.00 33.22 33.40 1n91 n MET 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1n91 n SER 6 N -0.38 0.00 0.00 6.12 2.88 -1.24 -4.85 113.62 116.15 1n91 n SER 6 Ca 0.00 -0.88 0.00 0.00 -1.33 0.00 0.00 58.87 56.67 1n91 n SER 6 Cb 0.82 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 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 -3.45 -1.46 0.00 -1.26 -3.90 120.51 107.45 1n91 n ALA 7 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1n91 n ALA 7 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1n91 n ALA 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n91 s VAL 8 N 0.00 0.00 -0.11 0.00 0.11 -1.26 0.14 120.40 119.27 1n91 s VAL 8 Ca 0.00 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.97 1n91 s VAL 8 Cb 0.00 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.89 1n91 s VAL 8 CO 0.00 0.00 0.28 -0.89 -3.33 0.00 0.00 175.10 171.16 1n91 s THR 9 N -3.15 -0.02 -0.46 5.04 2.01 -1.11 -4.95 115.64 113.00 1n91 s THR 9 Ca -0.02 0.08 -0.13 0.00 0.31 0.00 0.00 61.69 61.93 1n91 s THR 9 Cb -0.01 -0.41 0.09 0.00 0.01 0.00 0.00 72.50 72.18 1n91 s THR 9 CO -0.08 0.03 0.36 0.68 -0.69 0.00 0.00 174.62 174.93 1n91 s VAL 10 N 0.78 4.83 0.00 3.82 -7.23 -1.26 -0.31 120.40 121.03 1n91 s VAL 10 Ca -0.05 -1.28 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1n91 s VAL 10 Cb -0.06 -3.96 0.00 0.00 0.56 0.00 0.00 36.38 32.92 1n91 s VAL 10 CO -0.05 -0.61 0.00 0.59 -0.31 0.00 0.00 175.10 174.72 1n91 n ASN 11 N 5.10 0.00 -0.69 4.85 3.02 -0.93 -4.99 115.26 121.62 1n91 n ASN 11 Ca -0.12 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.51 1n91 n ASN 11 Cb 0.43 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.70 1n91 n ASN 11 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1n91 n ASP 12 N 0.00 2.55 -0.02 6.41 8.00 -1.26 -4.30 116.55 127.93 1n91 n ASP 12 Ca 0.00 -1.74 0.03 0.00 0.71 0.00 0.00 54.79 53.80 1n91 n ASP 12 Cb 0.00 -0.09 -0.09 0.00 -0.02 0.00 0.00 41.12 40.92 1n91 n ASP 12 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1n91 n ASP 13 N 0.88 2.29 0.00 -2.24 2.03 -1.26 -5.07 116.55 113.18 1n91 n ASP 13 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1n91 n ASP 13 Cb 0.41 1.37 0.00 0.00 -0.72 0.00 0.00 41.12 42.18 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 1.94 -0.57 3.17 0.27 0.00 -1.26 -2.92 105.19 105.83 1n91 n GLY 14 Ca -0.06 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 1.12 -0.12 0.99 2.34 -0.89 -2.18 118.68 119.94 1n91 s LEU 15 Ca 0.00 0.11 -0.05 0.00 0.06 0.00 0.00 54.13 54.25 1n91 s LEU 15 Cb 0.00 0.97 -0.04 0.00 -0.56 0.00 0.00 46.19 46.57 1n91 s LEU 15 CO 0.00 -0.33 0.06 -0.69 -1.06 0.00 0.00 176.35 174.33 1n91 s VAL 16 N -0.96 4.82 -0.44 1.48 1.01 0.57 -0.83 120.40 126.06 1n91 s VAL 16 Ca -0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 1n91 s VAL 16 Cb -0.05 -3.09 0.12 0.00 0.00 0.00 0.00 36.38 33.35 1n91 s VAL 16 CO 0.02 0.57 0.25 -0.76 0.00 0.00 0.00 175.10 175.18 1n91 s LEU 17 N -0.59 5.33 -0.35 3.92 2.01 0.19 -2.73 118.68 126.46 1n91 s LEU 17 Ca 0.11 -2.09 -0.15 0.00 0.01 0.00 0.00 54.13 52.01 1n91 s LEU 17 Cb -0.12 -1.86 -0.01 0.00 0.01 0.00 0.00 46.19 44.21 1n91 s LEU 17 CO 0.02 -0.55 0.36 -0.13 1.01 0.00 0.00 176.35 177.06 1n91 s ARG 18 N 1.07 3.51 0.36 1.70 0.52 0.12 -0.72 118.95 125.51 1n91 s ARG 18 Ca 0.09 -0.47 -0.00 0.00 -0.52 0.00 0.00 55.73 54.83 1n91 s ARG 18 Cb -0.23 -3.82 0.00 0.00 0.52 0.00 0.00 34.95 31.42 1n91 s ARG 18 CO -0.04 -0.55 0.47 -0.48 0.02 0.00 0.00 175.30 174.72 1n91 s LEU 19 N 2.01 1.17 -0.49 2.53 0.05 -1.01 -4.47 118.68 118.46 1n91 s LEU 19 Ca 0.11 -1.58 -0.02 0.00 0.05 0.00 0.00 54.13 52.70 1n91 s LEU 19 Cb -0.17 1.38 0.13 0.00 -2.05 0.00 0.00 46.19 45.48 1n91 s LEU 19 CO 0.12 -1.31 0.29 -0.47 -0.55 0.00 0.00 176.35 174.43 1n91 s TYR 20 N -2.96 3.50 0.07 3.48 5.04 0.29 -0.42 117.35 126.35 1n91 s TYR 20 Ca 0.32 -2.62 -0.30 0.00 -2.44 0.00 0.00 57.07 52.03 1n91 s TYR 20 Cb -0.00 -3.17 -0.05 0.00 0.35 0.00 0.00 41.96 39.08 1n91 s TYR 20 CO 0.23 -0.91 1.15 -1.50 -1.34 0.00 0.00 175.55 173.18 1n91 s ILE 21 N 0.58 4.15 -0.48 3.14 1.10 0.11 -2.66 121.20 127.15 1n91 s ILE 21 Ca 0.12 1.58 0.04 0.00 -0.51 0.00 0.00 60.65 61.88 1n91 s ILE 21 Cb -0.22 -4.01 0.12 0.00 0.15 0.00 0.00 42.46 38.50 1n91 s ILE 21 CO -0.04 0.14 0.22 -1.58 -2.11 0.00 0.00 174.94 171.58 1n91 s GLN 22 N 0.86 1.85 0.87 3.50 2.00 -0.05 -4.41 119.66 124.28 1n91 s GLN 22 Ca 0.56 -2.46 -0.12 0.00 -2.00 0.00 0.00 55.36 51.35 1n91 s GLN 22 Cb -0.28 -3.25 0.11 0.00 0.80 0.00 0.00 33.01 30.39 1n91 s GLN 22 CO 0.30 -1.08 1.10 -2.14 -0.50 0.00 0.00 175.29 172.96 1n91 s PRO 23 N -0.05 1.50 -0.19 1.67 0.02 -1.26 0.15 135.00 136.84 1n91 s PRO 23 Ca 0.16 0.73 -0.01 0.00 0.02 0.00 0.00 61.00 61.90 1n91 s PRO 23 Cb -0.25 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.43 1n91 s PRO 23 CO -0.02 -2.05 0.11 1.63 -0.33 0.00 0.00 177.00 176.35 1n91 n LYS 24 N -3.74 -0.82 -3.42 5.54 5.02 -0.34 -4.77 118.16 115.62 1n91 n LYS 24 Ca 0.07 0.12 -0.19 0.00 -2.02 0.00 0.00 58.31 56.28 1n91 n LYS 24 Cb 0.56 -3.18 -0.01 0.00 -0.02 0.00 0.00 35.03 32.38 1n91 n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n91 s ALA 25 N -2.79 4.22 -0.97 7.82 0.00 -0.11 -4.97 121.76 124.95 1n91 s ALA 25 Ca 0.06 -1.63 0.23 0.00 0.00 0.00 0.00 51.96 50.61 1n91 s ALA 25 Cb -0.02 -1.45 0.95 0.00 0.00 0.00 0.00 23.12 22.60 1n91 s ALA 25 CO 0.07 -0.13 1.72 0.45 0.00 0.00 0.00 175.76 177.87 1n91 n SER 26 N -1.63 0.05 -3.61 0.00 2.88 -1.26 -3.97 113.62 106.08 1n91 n SER 26 Ca 0.03 0.51 -0.01 0.00 -1.33 0.00 0.00 58.87 58.06 1n91 n SER 26 Cb 0.59 -0.52 -0.01 0.00 -0.75 0.00 0.00 64.21 63.52 1n91 n SER 26 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1n91 s ARG 27 N -3.01 0.25 -0.83 -1.46 3.52 -1.26 -4.90 118.95 111.26 1n91 s ARG 27 Ca 0.11 -0.11 -0.23 0.00 -0.13 0.00 0.00 55.73 55.37 1n91 s ARG 27 Cb 0.14 0.10 0.07 0.00 -1.56 0.00 0.00 34.95 33.71 1n91 s ARG 27 CO 0.41 -0.11 1.18 -0.51 -0.81 0.00 0.00 175.30 175.47 1n91 s ASP 28 N -2.45 6.36 -0.04 -2.12 1.11 -1.22 -4.06 116.67 114.24 1n91 s ASP 28 Ca 0.12 -1.24 0.04 0.00 0.18 0.00 0.00 52.55 51.65 1n91 s ASP 28 Cb 0.02 -2.48 -0.00 0.00 1.07 0.00 0.00 42.92 41.52 1n91 s ASP 28 CO -0.04 -1.45 -0.17 -0.44 1.18 0.00 0.00 175.17 174.25 1n91 s SER 29 N 3.99 2.09 -1.22 0.27 0.01 -0.66 -4.99 113.70 113.18 1n91 s SER 29 Ca 0.33 -0.34 -0.11 0.00 1.31 0.00 0.00 55.95 57.14 1n91 s SER 29 Cb -0.08 -0.56 0.19 0.00 0.21 0.00 0.00 66.02 65.78 1n91 s SER 29 CO 0.02 0.15 1.56 2.30 0.41 0.00 0.00 173.24 177.68 1n91 n ILE 30 N 3.12 4.38 -0.79 1.44 -5.35 -1.26 -2.46 119.36 118.43 1n91 n ILE 30 Ca -0.18 -4.74 0.08 0.00 -0.27 0.00 0.00 62.75 57.64 1n91 n ILE 30 Cb 0.53 -2.42 0.29 0.00 -1.74 0.00 0.00 39.64 36.30 1n91 n ILE 30 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1n91 n VAL 31 N 3.82 2.10 -2.08 7.28 0.24 -1.25 -4.39 118.33 124.06 1n91 n VAL 31 Ca 0.36 -1.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.12 1n91 n VAL 31 Cb 0.40 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 1n91 n VAL 31 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n91 n GLY 32 N 0.12 0.63 3.56 7.63 0.00 -0.98 -5.04 105.19 111.10 1n91 n GLY 32 Ca 0.22 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1n91 n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n91 n LEU 33 N 0.08 2.71 -4.93 0.99 4.77 -1.21 -1.84 117.00 117.58 1n91 n LEU 33 Ca 0.00 0.04 -0.26 0.00 -0.03 0.00 0.00 56.01 55.77 1n91 n LEU 33 Cb 0.75 -1.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.32 1n91 n LEU 33 CO -0.01 -0.94 0.14 -2.28 -1.33 0.00 0.00 177.39 172.97 1n91 s HIS 34 N 9.26 3.49 0.38 -1.77 2.46 0.54 -4.89 115.29 124.77 1n91 s HIS 34 Ca 1.03 0.42 0.15 0.00 0.47 0.00 0.00 55.06 57.12 1n91 s HIS 34 Cb -0.41 -1.93 0.85 0.00 -0.13 0.00 0.00 32.58 30.96 1n91 s HIS 34 CO 0.36 0.20 1.88 0.78 -2.47 0.00 0.00 174.74 175.48 1n91 h GLY 35 N 1.28 0.00 0.00 1.59 0.00 -1.95 -3.02 103.07 100.96 1n91 h GLY 35 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1n91 h GLY 35 CO 0.64 0.00 -0.39 1.22 0.00 0.00 0.00 176.54 178.01 1n91 n ASP 36 N -4.07 0.40 -2.55 0.19 8.00 -1.26 -4.70 116.55 112.56 1n91 n ASP 36 Ca -0.02 -0.68 -0.13 0.00 0.71 0.00 0.00 54.79 54.66 1n91 n ASP 36 Cb 0.36 1.00 -0.05 0.00 -0.02 0.00 0.00 41.12 42.41 1n91 n ASP 36 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1n91 n GLU 37 N -1.19 0.30 -3.58 -1.24 1.02 -1.14 -3.73 120.64 111.08 1n91 n GLU 37 Ca 0.01 -2.30 -0.21 0.00 -0.02 0.00 0.00 57.16 54.65 1n91 n GLU 37 Cb 0.13 1.91 -0.15 0.00 -0.02 0.00 0.00 31.44 33.31 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 -2.93 -0.22 -0.12 2.62 1.01 -1.26 -0.34 120.40 119.16 1n91 s VAL 38 Ca 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 1n91 s VAL 38 Cb 0.01 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 1n91 s VAL 38 CO 0.19 -0.13 -0.08 -0.54 0.00 0.00 0.00 175.10 174.55 1n91 s LYS 39 N 2.25 3.33 -0.13 2.72 -0.14 -0.76 0.11 119.74 127.11 1n91 s LYS 39 Ca 0.04 -0.58 -0.05 0.00 -1.36 0.00 0.00 55.97 54.01 1n91 s LYS 39 Cb -0.15 -2.73 0.06 0.00 -1.68 0.00 0.00 37.83 33.33 1n91 s LYS 39 CO -0.09 0.35 0.28 0.54 -0.76 0.00 0.00 175.35 175.67 1n91 s VAL 40 N 0.04 -0.28 -0.20 3.17 0.11 -1.09 -2.33 120.40 119.83 1n91 s VAL 40 Ca -0.02 0.21 -0.23 0.00 -2.93 0.00 0.00 61.98 59.02 1n91 s VAL 40 Cb -0.14 -0.45 -0.02 0.00 -1.53 0.00 0.00 36.38 34.24 1n91 s VAL 40 CO 0.03 0.09 0.73 0.00 -3.33 0.00 0.00 175.10 172.62 1n91 s ALA 41 N 1.96 3.56 0.06 1.54 0.00 -1.03 -0.87 121.76 126.99 1n91 s ALA 41 Ca -0.03 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 51.80 1n91 s ALA 41 Cb -0.11 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1n91 s ALA 41 CO -0.09 -0.69 -0.02 -1.50 0.00 0.00 0.00 175.76 173.46 1n91 s ILE 42 N 2.24 3.92 -0.34 0.00 2.07 0.12 -1.66 121.20 127.56 1n91 s ILE 42 Ca 0.33 -0.90 -0.01 0.00 -1.41 0.00 0.00 60.65 58.66 1n91 s ILE 42 Cb -0.16 -2.82 0.26 0.00 0.13 0.00 0.00 42.46 39.87 1n91 s ILE 42 CO 0.10 0.22 1.94 1.07 -1.91 0.00 0.00 174.94 176.35 1n91 n THR 43 N 0.91 2.76 -4.24 4.00 5.66 -1.25 -0.93 114.28 121.18 1n91 n THR 43 Ca -0.13 -1.67 -0.35 0.00 -3.05 0.00 0.00 64.05 58.85 1n91 n THR 43 Cb 0.52 -1.22 -0.09 0.00 -1.55 0.00 0.00 70.33 67.99 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 -2.00 3.42 1.18 1.79 0.00 -1.26 -4.81 121.76 120.08 1n91 s ALA 44 Ca 0.34 -0.77 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 1n91 s ALA 44 Cb 0.27 -1.62 0.22 0.00 0.00 0.00 0.00 23.12 21.99 1n91 s ALA 44 CO 0.00 0.56 0.54 -2.30 0.00 0.00 0.00 175.76 174.56 1n91 n PRO 45 N 2.22 -2.30 0.00 0.00 -0.01 -1.26 -2.70 135.00 130.94 1n91 n PRO 45 Ca -0.19 -0.65 0.00 0.00 -0.01 0.00 0.00 63.50 62.65 1n91 n PRO 45 Cb 0.54 -1.93 0.00 0.00 -0.01 0.00 0.00 33.50 32.10 1n91 n PRO 45 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 1n91 n PRO 46 N -3.70 0.83 -5.27 0.52 -0.02 -1.26 -4.36 135.00 121.74 1n91 n PRO 46 Ca 0.02 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.19 1n91 n PRO 46 Cb 0.58 -1.26 -0.16 0.00 -0.02 0.00 0.00 33.50 32.64 1n91 n PRO 46 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1n91 s VAL 47 N -0.45 2.02 0.10 -1.45 0.11 -1.26 -5.04 120.40 114.43 1n91 s VAL 47 Ca 0.00 -1.08 -0.34 0.00 -2.93 0.00 0.00 61.98 57.63 1n91 s VAL 47 Cb 0.00 -1.69 -0.14 0.00 -1.53 0.00 0.00 36.38 33.02 1n91 s VAL 47 CO 0.00 0.57 1.57 0.44 -3.33 0.00 0.00 175.10 174.35 1n91 h ASP 48 N 5.72 -1.34 -0.73 3.54 5.19 -1.87 0.41 116.42 127.34 1n91 h ASP 48 Ca -0.39 0.13 0.12 0.00 -0.62 0.00 0.00 57.03 56.27 1n91 h ASP 48 Cb 1.14 0.47 -0.12 0.00 0.18 0.00 0.00 39.33 41.00 1n91 h ASP 48 CO 0.47 -0.58 -0.26 0.61 -3.12 0.00 0.00 179.24 176.36 1n91 n GLY 49 N -1.51 -1.43 0.17 2.75 0.00 -1.26 0.19 105.19 104.10 1n91 n GLY 49 Ca -0.10 0.81 -0.22 0.00 0.00 0.00 0.00 46.02 46.51 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 0.58 0.43 1.61 1.08 -1.83 -3.05 115.11 113.94 1n91 h GLN 50 Ca 0.28 -0.81 -0.02 0.00 -1.45 0.00 0.00 58.65 56.66 1n91 h GLN 50 Cb 0.47 0.27 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1n91 h GLN 50 CO -0.74 1.37 -0.21 0.00 -0.95 0.00 0.00 178.83 178.30 1n91 h ALA 51 N 0.32 -0.75 -0.87 3.87 0.00 0.43 -2.97 119.26 119.28 1n91 h ALA 51 Ca -0.19 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 54.81 1n91 h ALA 51 Cb 1.94 0.23 -0.16 0.00 0.00 0.00 0.00 17.79 19.80 1n91 h ALA 51 CO 0.24 -0.71 0.01 -0.97 0.00 0.00 0.00 179.25 177.81 1n91 h ASN 52 N -0.87 -0.42 0.15 0.00 -0.73 0.19 -0.62 115.58 113.29 1n91 h ASN 52 Ca -0.06 0.24 0.02 0.00 1.87 0.00 0.00 56.30 58.36 1n91 h ASN 52 Cb 0.45 0.42 -0.04 0.00 0.27 0.00 0.00 38.32 39.41 1n91 h ASN 52 CO 0.10 -0.25 -0.42 0.28 -0.37 0.00 0.00 177.43 176.77 1n91 h SER 53 N 0.07 -1.22 -0.38 1.15 0.02 -1.58 -1.26 113.55 110.35 1n91 h SER 53 Ca 0.50 0.13 0.08 0.00 -0.84 0.00 0.00 61.79 61.66 1n91 h SER 53 Cb 0.94 0.45 -0.08 0.00 0.14 0.00 0.00 62.40 63.85 1n91 h SER 53 CO -0.79 -0.50 -0.14 0.45 -1.14 0.00 0.00 176.83 174.71 1n91 h HIS 54 N -0.67 -0.32 -0.80 3.45 3.86 -0.97 0.13 115.15 119.82 1n91 h HIS 54 Ca 0.01 0.04 0.16 0.00 -1.16 0.00 0.00 60.37 59.42 1n91 h HIS 54 Cb 0.69 0.20 -0.10 0.00 1.06 0.00 0.00 27.41 29.26 1n91 h HIS 54 CO -0.35 -0.22 0.34 -0.07 0.86 0.00 0.00 177.93 178.49 1n91 h LEU 55 N -0.06 0.33 -1.22 2.43 -0.00 -0.94 0.99 115.31 116.84 1n91 h LEU 55 Ca 0.19 0.11 -0.07 0.00 -0.00 0.00 0.00 57.88 58.11 1n91 h LEU 55 Cb 0.35 0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.08 1n91 h LEU 55 CO -0.43 0.10 -0.33 1.62 -0.00 0.00 0.00 178.44 179.41 1n91 h VAL 56 N 0.47 0.95 0.03 1.22 3.04 0.12 -2.74 116.25 119.34 1n91 h VAL 56 Ca 0.45 -1.28 -0.00 0.00 -1.01 0.00 0.00 66.70 64.86 1n91 h VAL 56 Cb 0.71 1.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 1n91 h VAL 56 CO -0.42 0.33 -0.02 0.50 -1.01 0.00 0.00 177.57 176.95 1n91 h LYS 57 N 0.00 -0.04 -0.36 4.17 3.64 0.27 -0.69 116.57 123.56 1n91 h LYS 57 Ca -0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1n91 h LYS 57 Cb 0.72 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.47 1n91 h LYS 57 CO 0.04 -0.03 -0.49 0.35 -2.27 0.00 0.00 179.45 177.05 1n91 h PHE 58 N -0.96 -1.47 -0.26 1.91 3.57 0.60 0.59 116.94 120.92 1n91 h PHE 58 Ca -0.00 0.07 -0.16 0.00 3.53 0.00 0.00 57.97 61.41 1n91 h PHE 58 Cb 0.03 0.69 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1n91 h PHE 58 CO 0.00 -0.48 -0.46 -0.07 -2.23 0.00 0.00 178.31 175.08 1n91 h LEU 59 N -0.40 0.85 -1.46 0.59 4.07 -1.67 -1.90 115.31 115.39 1n91 h LEU 59 Ca 0.10 -0.53 0.22 0.00 0.08 0.00 0.00 57.88 57.75 1n91 h LEU 59 Cb 0.61 -0.24 -0.07 0.00 1.08 0.00 0.00 40.66 42.03 1n91 h LEU 59 CO -0.56 1.22 0.62 1.23 -1.08 0.00 0.00 178.44 179.87 1n91 h GLY 60 N 0.51 0.98 0.00 0.83 0.00 -0.53 0.82 103.07 105.67 1n91 h GLY 60 Ca 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1n91 h GLY 60 CO 0.10 -0.04 -0.06 0.50 0.00 0.00 0.00 176.54 177.05 1n91 h LYS 61 N 0.41 0.00 -0.70 4.80 1.57 -0.79 -0.54 116.57 121.32 1n91 h LYS 61 Ca 0.51 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.36 1n91 h LYS 61 Cb 1.26 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.51 1n91 h LYS 61 CO -0.21 0.17 0.38 0.37 -0.57 0.00 0.00 179.45 179.59 1n91 h GLN 62 N -1.00 0.65 0.00 3.15 5.75 -0.98 -0.75 115.11 121.93 1n91 h GLN 62 Ca -0.01 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1n91 h GLN 62 Cb 0.22 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.62 1n91 h GLN 62 CO -0.00 0.43 -0.25 0.74 -2.65 0.00 0.00 178.83 177.10 1n91 h PHE 63 N 0.67 0.00 0.00 3.99 -1.00 0.49 -3.45 116.94 117.64 1n91 h PHE 63 Ca 0.32 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.10 1n91 h PHE 63 Cb 0.25 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.81 1n91 h PHE 63 CO -0.09 0.00 0.00 0.54 -1.61 0.00 0.00 178.31 177.15 1n91 n ARG 64 N -2.77 -1.56 -2.14 1.51 1.74 -0.22 -2.85 116.66 110.38 1n91 n ARG 64 Ca 0.03 0.39 -0.29 0.00 -0.77 0.00 0.00 57.85 57.22 1n91 n ARG 64 Cb 0.51 -4.76 0.03 0.00 -1.02 0.00 0.00 32.46 27.21 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 -1.10 3.96 0.76 1.55 -7.23 -1.16 -4.91 120.40 112.27 1n91 s VAL 65 Ca 0.00 0.37 -0.13 0.00 -1.81 0.00 0.00 61.98 60.41 1n91 s VAL 65 Cb 0.00 -3.60 0.05 0.00 0.56 0.00 0.00 36.38 33.40 1n91 s VAL 65 CO 0.00 -0.71 1.15 0.00 -0.31 0.00 0.00 175.10 175.23 1n91 s ALA 66 N -3.13 2.10 0.27 1.32 0.00 -1.26 -4.68 121.76 116.38 1n91 s ALA 66 Ca 0.55 0.62 0.14 0.00 0.00 0.00 0.00 51.96 53.27 1n91 s ALA 66 Cb -0.11 -3.39 0.58 0.00 0.00 0.00 0.00 23.12 20.20 1n91 s ALA 66 CO 0.49 -1.88 1.71 1.57 0.00 0.00 0.00 175.76 177.66 1n91 h LYS 67 N -0.69 0.00 0.00 0.00 2.10 -1.92 -1.77 116.57 114.30 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 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1n91 h LYS 67 CO 0.49 0.47 0.00 0.43 -2.00 0.00 0.00 179.45 178.84 1n91 n SER 68 N -3.77 0.29 -0.20 7.07 7.64 -1.26 -1.71 113.62 121.68 1n91 n SER 68 Ca -0.01 0.56 0.10 0.00 1.01 0.00 0.00 58.87 60.54 1n91 n SER 68 Cb 0.52 -0.63 -0.07 0.00 -1.01 0.00 0.00 64.21 63.02 1n91 n SER 68 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n91 n GLN 69 N -1.81 0.51 -3.45 1.43 6.02 -0.68 -4.76 117.38 114.64 1n91 n GLN 69 Ca 0.03 -0.40 -0.43 0.00 -0.01 0.00 0.00 57.00 56.20 1n91 n GLN 69 Cb 0.22 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.93 1n91 n GLN 69 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1n91 s VAL 70 N -2.78 4.70 -0.17 5.09 1.01 -0.69 -0.61 120.40 126.95 1n91 s VAL 70 Ca 0.12 -1.89 -0.00 0.00 0.00 0.00 0.00 61.98 60.21 1n91 s VAL 70 Cb 0.17 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1n91 s VAL 70 CO 0.75 -0.85 -0.15 -0.69 0.00 0.00 0.00 175.10 174.15 1n91 s VAL 71 N 1.14 2.59 -1.15 2.92 1.01 -0.38 -4.88 120.40 121.65 1n91 s VAL 71 Ca 0.08 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 61.08 1n91 s VAL 71 Cb -0.25 -2.10 0.08 0.00 0.00 0.00 0.00 36.38 34.11 1n91 s VAL 71 CO -0.01 0.51 1.53 -0.63 0.00 0.00 0.00 175.10 176.50 1n91 s ILE 72 N 1.04 4.24 -1.63 2.22 1.01 -1.26 0.68 121.20 127.50 1n91 s ILE 72 Ca -0.01 -1.58 0.00 0.00 0.00 0.00 0.00 60.65 59.06 1n91 s ILE 72 Cb -0.15 -5.07 0.01 0.00 0.01 0.00 0.00 42.46 37.27 1n91 s ILE 72 CO -0.04 -1.89 0.70 -0.62 0.00 0.00 0.00 174.94 173.10 1n91 n GLU 73 N 8.00 0.01 0.00 2.79 -0.58 -0.81 -4.44 120.64 125.60 1n91 n GLU 73 Ca 0.39 0.18 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 1n91 n GLU 73 Cb 0.48 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 1n91 n GLU 73 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1n91 n LYS 74 N -1.18 0.00 0.00 3.49 5.02 -1.25 -4.98 118.16 119.26 1n91 n LYS 74 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1n91 n LYS 74 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 0.00 0.30 0.23 0.72 0.00 -1.25 -0.28 105.19 104.91 1n91 n GLY 75 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.23 1n91 n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n91 n GLU 76 N 0.00 -0.04 0.00 1.61 1.02 -1.26 -3.44 120.64 118.52 1n91 n GLU 76 Ca 0.00 0.99 0.00 0.00 -0.02 0.00 0.00 57.16 58.13 1n91 n GLU 76 Cb 0.00 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 1n91 n GLU 76 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1n91 n LEU 77 N -4.65 0.90 -4.74 -4.62 7.94 -1.26 -4.26 117.00 106.30 1n91 n LEU 77 Ca 0.25 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.78 1n91 n LEU 77 Cb 0.85 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.85 1n91 n LEU 77 CO -0.00 0.07 0.89 -0.83 -1.11 0.00 0.00 177.39 176.41 1n91 s GLY 78 N -3.89 2.82 0.51 -3.96 0.00 -1.22 -4.89 107.32 96.69 1n91 s GLY 78 Ca 0.00 1.15 0.17 0.00 0.00 0.00 0.00 44.72 46.05 1n91 s GLY 78 CO 0.00 1.59 2.12 3.21 0.00 0.00 0.00 173.10 180.02 1n91 h ARG 79 N 0.89 0.00 -7.00 2.90 -0.00 -1.86 -3.42 114.38 105.90 1n91 h ARG 79 Ca -0.51 0.00 -0.52 0.00 -0.50 0.00 0.00 59.98 58.45 1n91 h ARG 79 Cb 1.31 0.00 0.08 0.00 0.00 0.00 0.00 29.97 31.36 1n91 h ARG 79 CO 0.55 0.05 0.53 -1.58 0.00 0.00 0.00 179.97 179.51 1n91 s HIS 80 N -4.90 2.75 0.03 3.04 2.46 -1.26 0.09 115.29 117.49 1n91 s HIS 80 Ca -0.05 1.49 -0.07 0.00 0.47 0.00 0.00 55.06 56.90 1n91 s HIS 80 Cb 0.16 -3.51 -0.00 0.00 -0.13 0.00 0.00 32.58 29.10 1n91 s HIS 80 CO 0.66 -1.87 0.13 0.21 -2.47 0.00 0.00 174.74 171.40 1n91 s LYS 81 N -2.67 0.60 -0.49 2.88 2.20 0.44 -3.76 119.74 118.94 1n91 s LYS 81 Ca 0.64 -0.66 0.05 0.00 -0.36 0.00 0.00 55.97 55.64 1n91 s LYS 81 Cb -0.32 0.24 0.20 0.00 -1.51 0.00 0.00 37.83 36.44 1n91 s LYS 81 CO 0.39 -0.16 0.82 0.00 -0.36 0.00 0.00 175.35 176.04 1n91 n GLN 82 N 0.86 0.49 -2.51 4.03 10.64 0.61 -2.41 117.38 129.09 1n91 n GLN 82 Ca -0.20 -1.78 -0.32 0.00 -1.83 0.00 0.00 57.00 52.87 1n91 n GLN 82 Cb 0.58 -1.20 -0.04 0.00 -0.86 0.00 0.00 30.24 28.72 1n91 n GLN 82 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1n91 s ILE 83 N 0.85 4.52 -0.24 -0.39 1.01 0.10 -1.93 121.20 125.13 1n91 s ILE 83 Ca 0.29 1.23 0.02 0.00 0.00 0.00 0.00 60.65 62.19 1n91 s ILE 83 Cb 0.05 -3.70 0.05 0.00 0.01 0.00 0.00 42.46 38.87 1n91 s ILE 83 CO -0.08 -0.61 -0.12 -0.75 0.00 0.00 0.00 174.94 173.38 1n91 s LYS 84 N -3.88 2.32 -0.50 2.79 2.47 0.21 0.57 119.74 123.72 1n91 s LYS 84 Ca 0.59 -1.22 -0.15 0.00 -1.56 0.00 0.00 55.97 53.62 1n91 s LYS 84 Cb -0.10 -2.80 0.10 0.00 -1.46 0.00 0.00 37.83 33.57 1n91 s LYS 84 CO 0.28 -0.51 0.43 0.42 0.16 0.00 0.00 175.35 176.13 1n91 s ILE 85 N 1.16 5.14 0.39 5.43 1.09 -0.01 -1.25 121.20 133.15 1n91 s ILE 85 Ca -0.06 -1.28 -0.12 0.00 -1.10 0.00 0.00 60.65 58.09 1n91 s ILE 85 Cb -0.19 -4.18 -0.07 0.00 -1.06 0.00 0.00 42.46 36.96 1n91 s ILE 85 CO -0.07 -0.70 0.76 -0.63 -0.10 0.00 0.00 174.94 174.21 1n91 s ILE 86 N 1.60 4.76 -0.46 2.92 1.01 0.22 -2.10 121.20 129.15 1n91 s ILE 86 Ca 0.04 0.71 -0.39 0.00 0.00 0.00 0.00 60.65 61.01 1n91 s ILE 86 Cb -0.27 -3.70 0.06 0.00 0.01 0.00 0.00 42.46 38.56 1n91 s ILE 86 CO 0.05 -0.44 0.67 0.59 0.00 0.00 0.00 174.94 175.81 1n91 n ASN 87 N -1.07 -5.45 -4.78 3.58 4.13 -1.15 -4.81 115.26 105.71 1n91 n ASN 87 Ca 0.03 -0.19 -0.36 0.00 1.68 0.00 0.00 54.58 55.74 1n91 n ASN 87 Cb 0.54 -1.60 -0.04 0.00 -1.54 0.00 0.00 39.78 37.14 1n91 n ASN 87 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 1n91 s PRO 88 N -2.51 4.18 0.00 3.52 0.02 -1.26 -4.82 135.00 134.13 1n91 s PRO 88 Ca 0.38 1.49 0.00 0.00 0.02 0.00 0.00 61.00 62.89 1n91 s PRO 88 Cb -0.04 -2.53 0.00 0.00 0.02 0.00 0.00 34.50 31.95 1n91 s PRO 88 CO 0.88 -0.13 0.00 1.04 -0.33 0.00 0.00 177.00 178.46 1n91 n GLN 89 N -0.08 2.96 -3.61 5.54 1.13 -1.26 -5.02 117.38 117.05 1n91 n GLN 89 Ca 0.05 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.97 1n91 n GLN 89 Cb 0.50 -0.90 -0.13 0.00 0.11 0.00 0.00 30.24 29.82 1n91 n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1n91 s GLN 90 N -1.77 0.17 -0.20 -1.09 0.74 -1.13 -5.06 119.66 111.31 1n91 s GLN 90 Ca 0.00 0.63 -0.02 0.00 0.05 0.00 0.00 55.36 56.02 1n91 s GLN 90 Cb 0.00 -0.28 -0.00 0.00 1.10 0.00 0.00 33.01 33.83 1n91 s GLN 90 CO 0.00 -0.38 -0.09 -1.50 -0.55 0.00 0.00 175.29 172.77 1n91 s ILE 91 N 2.41 2.98 0.40 -2.34 2.07 -1.26 -4.29 121.20 121.17 1n91 s ILE 91 Ca 0.03 -0.63 -0.27 0.00 -1.41 0.00 0.00 60.65 58.37 1n91 s ILE 91 Cb -0.13 -2.33 -0.10 0.00 0.13 0.00 0.00 42.46 40.04 1n91 s ILE 91 CO -0.10 0.46 1.44 -2.84 -1.91 0.00 0.00 174.94 172.00 1n91 s PRO 92 N 1.37 3.95 0.45 3.50 0.02 -1.26 -4.86 135.00 138.17 1n91 s PRO 92 Ca 0.05 2.47 0.22 0.00 0.02 0.00 0.00 61.00 63.76 1n91 s PRO 92 Cb -0.14 -2.84 1.21 0.00 0.02 0.00 0.00 34.50 32.75 1n91 s PRO 92 CO -0.06 -0.62 1.83 -1.00 -0.33 0.00 0.00 177.00 176.82 1n91 h PRO 93 N 2.75 0.27 -0.05 5.54 0.13 -1.99 -2.07 132.00 136.58 1n91 h PRO 93 Ca -0.51 -0.02 0.04 0.00 -0.87 0.00 0.00 66.00 64.64 1n91 h PRO 93 Cb 1.25 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 1n91 h PRO 93 CO 0.63 0.18 -0.28 1.49 -0.23 0.00 0.00 178.00 179.79 1n91 h GLU 94 N 0.28 -0.38 0.00 0.86 4.57 -2.01 0.21 114.58 118.12 1n91 h GLU 94 Ca 0.51 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.72 1n91 h GLU 94 Cb 1.49 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 30.17 1n91 h GLU 94 CO -0.16 -0.25 0.00 0.28 -1.18 0.00 0.00 179.01 177.69 1n91 h VAL 95 N -0.40 0.00 0.00 0.32 2.07 -1.77 -2.56 116.25 113.92 1n91 h VAL 95 Ca 0.08 -0.58 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 1n91 h VAL 95 Cb 0.51 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1n91 h VAL 95 CO -0.28 0.00 -0.41 0.00 0.02 0.00 0.00 177.57 176.90 1n91 h ALA 96 N 2.03 0.87 0.00 1.67 0.00 -0.42 -3.05 119.26 120.36 1n91 h ALA 96 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1n91 h ALA 96 Cb 0.59 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1n91 h ALA 96 CO 0.00 0.51 -0.08 0.00 0.00 0.00 0.00 179.25 179.68 1n91 h ALA 97 N 1.59 1.50 0.00 0.00 0.00 -0.25 0.97 119.26 123.08 1n91 h ALA 97 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1n91 h ALA 97 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1n91 h ALA 97 CO 0.05 0.10 -0.82 1.28 0.00 0.00 0.00 179.25 179.86 1n91 n LEU 98 N -3.91 0.72 -0.09 0.00 4.77 -1.16 -3.48 117.00 113.85 1n91 n LEU 98 Ca -0.02 -0.21 -0.10 0.00 -0.03 0.00 0.00 56.01 55.65 1n91 n LEU 98 Cb 0.17 -0.12 -0.14 0.00 -2.33 0.00 0.00 43.42 41.01 1n91 n LEU 98 CO 0.31 0.16 -1.10 -0.38 -1.33 0.00 0.00 177.39 175.05 1n91 n ILE 99 N -1.59 1.23 0.06 -0.08 5.41 -0.34 -4.54 119.36 119.51 1n91 n ILE 99 Ca 0.04 -0.73 -0.21 0.00 1.00 0.00 0.00 62.75 62.85 1n91 n ILE 99 Cb 0.35 -0.60 -0.13 0.00 -0.71 0.00 0.00 39.64 38.55 1n91 n ILE 99 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 1n91 h ASN 100 N 0.00 0.67 0.00 4.38 -0.00 0.75 -3.47 115.58 117.91 1n91 h ASN 100 Ca -0.49 -0.85 0.00 0.00 -0.00 0.00 0.00 56.30 54.96 1n91 h ASN 100 Cb 2.07 -0.21 0.00 0.00 -0.00 0.00 0.00 38.32 40.18 1n91 h ASN 100 CO 0.02 1.46 0.00 -0.11 -0.00 0.00 0.00 177.43 178.79 1n91 n LEU 101 N -4.00 0.00 -3.95 0.34 0.00 -1.23 -4.89 117.00 103.28 1n91 n LEU 101 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 55.56 1n91 n LEU 101 Cb 0.87 0.00 -0.15 0.00 0.00 0.00 0.00 43.42 44.14 1n91 n LEU 101 CO 0.53 0.00 1.93 -0.62 0.00 0.00 0.00 177.39 179.23 1n91 n GLU 102 N 0.00 0.00 -3.20 1.96 1.02 -1.26 -4.77 120.64 114.39 1n91 n GLU 102 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 1n91 n GLU 102 Cb 0.00 -1.22 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 1n91 n GLU 102 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1n91 n HIS 103 N 8.24 0.35 0.00 -0.32 1.44 -1.26 -4.94 115.22 118.73 1n91 n HIS 103 Ca 0.58 -3.71 0.00 0.00 -2.01 0.00 0.00 57.72 52.59 1n91 n HIS 103 Cb 0.05 -0.40 0.00 0.00 0.12 0.00 0.00 29.99 29.76 1n91 n HIS 103 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1n91 n HIS 104 N 0.97 0.00 -3.44 -1.40 8.25 -1.26 -4.67 115.22 113.67 1n91 n HIS 104 Ca 0.23 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.54 1n91 n HIS 104 Cb 0.55 -0.06 -0.11 0.00 1.12 0.00 0.00 29.99 31.49 1n91 n HIS 104 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1n91 s HIS 105 N -1.26 -0.46 -1.20 4.41 2.46 -1.26 -4.93 115.29 113.05 1n91 s HIS 105 Ca 0.00 0.34 -0.18 0.00 0.47 0.00 0.00 55.06 55.69 1n91 s HIS 105 Cb 0.00 -0.27 -0.00 0.00 -0.13 0.00 0.00 32.58 32.18 1n91 s HIS 105 CO 0.00 -0.68 0.70 1.58 -2.47 0.00 0.00 174.74 173.87 1n91 n HIS 106 N 5.33 -1.80 -2.56 3.88 -0.00 -1.26 -4.84 115.22 113.97 1n91 n HIS 106 Ca -0.04 0.47 -0.42 0.00 -0.00 0.00 0.00 57.72 57.73 1n91 n HIS 106 Cb 0.49 -3.44 -0.03 0.00 -0.00 0.00 0.00 29.99 27.02 1n91 n HIS 106 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1n91 s HIS 107 N -3.58 2.51 0.00 1.57 5.04 -1.26 -5.19 115.29 114.39 1n91 s HIS 107 Ca 0.38 0.34 0.00 0.00 -1.54 0.00 0.00 55.06 54.23 1n91 s HIS 107 Cb -0.14 -4.53 0.00 0.00 0.04 0.00 0.00 32.58 27.95 1n91 s HIS 107 CO 0.88 -1.72 0.00 1.58 -2.34 0.00 0.00 174.74 173.14