#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 2.56 0.00 7.83 8.00 -1.26 -4.90 116.55 128.78 1n91 n ASP 2 Ca 0.00 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1n91 n ASP 2 Cb 0.00 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 39.79 1n91 n ASP 2 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n91 n GLY 3 N 5.83 0.66 0.02 0.44 0.00 -1.26 -4.98 105.19 105.89 1n91 n GLY 3 Ca 0.35 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.39 1n91 n GLY 3 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1n91 n VAL 4 N 0.00 0.24 0.37 1.61 0.24 -1.26 -4.55 118.33 114.98 1n91 n VAL 4 Ca 0.00 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1n91 n VAL 4 Cb 0.00 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 1n91 n VAL 4 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1n91 n MET 5 N -2.07 0.40 -1.02 7.34 0.00 -1.26 -4.45 117.12 116.05 1n91 n MET 5 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.63 1n91 n MET 5 Cb 0.49 -1.30 0.00 0.00 0.00 0.00 0.00 33.22 32.41 1n91 n MET 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1n91 n SER 6 N 0.85 0.40 0.00 6.12 7.64 -1.23 -4.90 113.62 122.51 1n91 n SER 6 Ca 0.00 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 59.03 1n91 n SER 6 Cb 0.20 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1n91 n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n91 n ALA 7 N -3.00 0.00 -3.24 -0.43 0.00 -1.26 -4.12 120.51 108.45 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 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1n91 n ALA 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n91 s VAL 8 N 0.00 0.04 -0.12 0.00 0.11 -1.26 0.37 120.40 119.54 1n91 s VAL 8 Ca 0.00 -0.35 -0.04 0.00 -2.93 0.00 0.00 61.98 58.67 1n91 s VAL 8 Cb 0.00 -0.95 0.06 0.00 -1.53 0.00 0.00 36.38 33.97 1n91 s VAL 8 CO 0.00 -0.19 0.21 -0.89 -3.33 0.00 0.00 175.10 170.90 1n91 s THR 9 N -2.34 -0.32 -0.72 5.04 2.01 -1.07 -4.95 115.64 113.28 1n91 s THR 9 Ca -0.06 0.23 -0.22 0.00 0.31 0.00 0.00 61.69 61.95 1n91 s THR 9 Cb -0.01 -0.43 0.08 0.00 0.01 0.00 0.00 72.50 72.16 1n91 s THR 9 CO -0.01 0.06 1.01 0.68 -0.69 0.00 0.00 174.62 175.66 1n91 s VAL 10 N 2.34 4.40 0.00 3.82 -7.23 -1.26 -1.08 120.40 121.39 1n91 s VAL 10 Ca 0.03 -0.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 1n91 s VAL 10 Cb -0.13 -4.71 0.00 0.00 0.56 0.00 0.00 36.38 32.10 1n91 s VAL 10 CO -0.08 -1.48 0.00 0.59 -0.31 0.00 0.00 175.10 173.82 1n91 n ASN 11 N 7.49 0.00 -0.87 4.85 4.13 -0.81 -4.96 115.26 125.09 1n91 n ASN 11 Ca 0.03 0.00 0.07 0.00 1.68 0.00 0.00 54.58 56.36 1n91 n ASN 11 Cb 0.46 0.00 0.21 0.00 -1.54 0.00 0.00 39.78 38.91 1n91 n ASN 11 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1n91 n ASP 12 N 0.00 3.29 0.00 6.41 9.92 -1.26 -4.34 116.55 130.58 1n91 n ASP 12 Ca 0.00 -2.04 0.00 0.00 -0.53 0.00 0.00 54.79 52.22 1n91 n ASP 12 Cb 0.00 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.16 1n91 n ASP 12 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1n91 n ASP 13 N 0.81 4.19 0.00 -2.24 2.03 -1.26 -5.12 116.55 114.96 1n91 n ASP 13 Ca 0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1n91 n ASP 13 Cb 0.51 0.64 0.00 0.00 -0.72 0.00 0.00 41.12 41.55 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 2.33 -0.40 3.32 0.27 0.00 -1.26 -3.10 105.19 106.34 1n91 n GLY 14 Ca 0.00 0.29 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 0.42 -0.04 0.99 0.05 -0.97 -1.92 118.68 117.23 1n91 s LEU 15 Ca 0.00 0.35 -0.00 0.00 0.05 0.00 0.00 54.13 54.53 1n91 s LEU 15 Cb 0.00 1.60 -0.03 0.00 -2.05 0.00 0.00 46.19 45.70 1n91 s LEU 15 CO 0.00 -0.44 0.01 -0.69 -0.55 0.00 0.00 176.35 174.68 1n91 s VAL 16 N -1.06 4.25 -0.34 1.48 1.01 -0.24 -0.03 120.40 125.46 1n91 s VAL 16 Ca -0.11 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 1n91 s VAL 16 Cb -0.04 -2.85 0.08 0.00 0.00 0.00 0.00 36.38 33.57 1n91 s VAL 16 CO 0.05 0.47 0.08 -0.22 0.00 0.00 0.00 175.10 175.48 1n91 s LEU 17 N -1.28 4.52 -0.26 3.92 1.98 0.22 -2.60 118.68 125.19 1n91 s LEU 17 Ca 0.17 -1.71 -0.08 0.00 -2.89 0.00 0.00 54.13 49.62 1n91 s LEU 17 Cb -0.11 -1.73 -0.02 0.00 0.66 0.00 0.00 46.19 44.98 1n91 s LEU 17 CO 0.07 -0.38 0.08 -0.13 -1.89 0.00 0.00 176.35 174.10 1n91 s ARG 18 N 1.14 3.60 0.36 1.98 0.52 0.16 -1.52 118.95 125.20 1n91 s ARG 18 Ca 0.02 -0.52 -0.03 0.00 -0.52 0.00 0.00 55.73 54.68 1n91 s ARG 18 Cb -0.21 -3.36 0.01 0.00 0.52 0.00 0.00 34.95 31.92 1n91 s ARG 18 CO -0.04 -0.23 0.53 -0.48 0.02 0.00 0.00 175.30 175.11 1n91 s LEU 19 N 1.61 0.94 -0.50 2.53 0.05 -0.89 -4.49 118.68 117.93 1n91 s LEU 19 Ca 0.06 -1.50 -0.10 0.00 0.05 0.00 0.00 54.13 52.64 1n91 s LEU 19 Cb -0.15 1.67 0.13 0.00 -2.05 0.00 0.00 46.19 45.78 1n91 s LEU 19 CO 0.04 -1.39 0.39 -0.47 -0.55 0.00 0.00 176.35 174.37 1n91 s TYR 20 N -2.81 3.41 0.01 3.48 5.04 0.20 -1.31 117.35 125.38 1n91 s TYR 20 Ca 0.29 -1.82 -0.30 0.00 -2.44 0.00 0.00 57.07 52.80 1n91 s TYR 20 Cb -0.01 -3.55 -0.06 0.00 0.35 0.00 0.00 41.96 38.69 1n91 s TYR 20 CO 0.20 -0.99 1.46 0.42 -1.34 0.00 0.00 175.55 175.30 1n91 s ILE 21 N 1.31 3.56 -0.57 3.14 -1.09 0.30 -2.85 121.20 125.01 1n91 s ILE 21 Ca 0.06 0.95 0.04 0.00 -2.23 0.00 0.00 60.65 59.47 1n91 s ILE 21 Cb -0.26 -3.61 0.14 0.00 -1.58 0.00 0.00 42.46 37.15 1n91 s ILE 21 CO -0.01 -0.01 0.34 -1.58 -1.23 0.00 0.00 174.94 172.45 1n91 s GLN 22 N 2.52 2.06 0.73 2.79 -0.44 0.03 -4.63 119.66 122.72 1n91 s GLN 22 Ca 0.66 -2.80 -0.11 0.00 -2.50 0.00 0.00 55.36 50.61 1n91 s GLN 22 Cb -0.33 -3.23 0.03 0.00 -1.64 0.00 0.00 33.01 27.84 1n91 s GLN 22 CO 0.28 -1.18 1.07 -2.14 0.50 0.00 0.00 175.29 173.82 1n91 s PRO 23 N -0.61 2.62 0.00 1.67 0.02 -1.26 -1.33 135.00 136.11 1n91 s PRO 23 Ca 0.20 0.92 0.00 0.00 0.02 0.00 0.00 61.00 62.14 1n91 s PRO 23 Cb -0.18 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.38 1n91 s PRO 23 CO -0.06 -1.31 0.00 1.63 -0.33 0.00 0.00 177.00 176.93 1n91 n LYS 24 N -3.27 0.00 -2.97 5.54 4.76 -0.51 -4.85 118.16 116.86 1n91 n LYS 24 Ca 0.08 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.33 1n91 n LYS 24 Cb 0.54 -2.04 0.03 0.00 -1.84 0.00 0.00 35.03 31.72 1n91 n LYS 24 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n91 s ALA 25 N -2.00 4.50 -0.78 7.82 0.00 -0.68 -4.98 121.76 125.64 1n91 s ALA 25 Ca 0.00 -1.78 0.24 0.00 0.00 0.00 0.00 51.96 50.42 1n91 s ALA 25 Cb 0.00 -1.63 0.92 0.00 0.00 0.00 0.00 23.12 22.41 1n91 s ALA 25 CO 0.00 -0.52 1.74 0.43 0.00 0.00 0.00 175.76 177.41 1n91 n SER 26 N -2.03 0.44 -3.61 0.00 7.64 -1.26 -4.28 113.62 110.51 1n91 n SER 26 Ca 0.10 0.57 -0.02 0.00 1.01 0.00 0.00 58.87 60.53 1n91 n SER 26 Cb 0.60 -0.68 -0.01 0.00 -1.01 0.00 0.00 64.21 63.11 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 -3.12 0.24 -0.99 1.43 3.52 -1.26 -4.93 118.95 113.85 1n91 s ARG 27 Ca 0.09 -0.11 -0.23 0.00 -0.13 0.00 0.00 55.73 55.35 1n91 s ARG 27 Cb 0.13 0.10 0.04 0.00 -1.56 0.00 0.00 34.95 33.66 1n91 s ARG 27 CO 0.47 -0.11 1.46 -0.51 -0.81 0.00 0.00 175.30 175.80 1n91 s ASP 28 N -2.42 6.39 -0.03 -2.12 1.11 -1.20 -4.16 116.67 114.24 1n91 s ASP 28 Ca 0.12 -1.31 0.02 0.00 0.18 0.00 0.00 52.55 51.56 1n91 s ASP 28 Cb 0.01 -2.57 0.01 0.00 1.07 0.00 0.00 42.92 41.44 1n91 s ASP 28 CO -0.04 -1.61 -0.09 -0.44 1.18 0.00 0.00 175.17 174.17 1n91 s SER 29 N 5.03 1.23 -1.30 0.27 0.01 -0.59 -4.98 113.70 113.37 1n91 s SER 29 Ca 0.46 -0.19 -0.12 0.00 1.31 0.00 0.00 55.95 57.41 1n91 s SER 29 Cb -0.01 -0.40 0.13 0.00 0.21 0.00 0.00 66.02 65.95 1n91 s SER 29 CO -0.07 0.04 1.83 2.30 0.41 0.00 0.00 173.24 177.76 1n91 n ILE 30 N 3.46 4.11 -0.86 1.44 -5.35 -1.26 -2.10 119.36 118.80 1n91 n ILE 30 Ca -0.20 -4.18 0.08 0.00 -0.27 0.00 0.00 62.75 58.19 1n91 n ILE 30 Cb 0.53 -2.43 0.33 0.00 -1.74 0.00 0.00 39.64 36.34 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 4.27 2.36 -2.74 7.28 0.24 -1.26 -4.43 118.33 124.05 1n91 n VAL 31 Ca 0.42 -1.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.19 1n91 n VAL 31 Cb 0.39 -0.17 0.05 0.00 -1.47 0.00 0.00 33.84 32.65 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 0.26 1.67 3.71 7.63 0.00 -0.77 -5.06 105.19 112.63 1n91 n GLY 32 Ca 0.24 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.20 4.35 0.20 0.99 1.43 -1.25 -0.41 118.68 120.80 1n91 s LEU 33 Ca 0.25 2.00 0.08 0.00 -1.03 0.00 0.00 54.13 55.42 1n91 s LEU 33 Cb 0.34 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 1n91 s LEU 33 CO -0.07 -0.51 -0.01 -2.28 0.23 0.00 0.00 176.35 173.72 1n91 s HIS 34 N 1.33 2.78 0.51 0.29 2.46 0.86 -4.87 115.29 118.64 1n91 s HIS 34 Ca 0.59 -0.17 0.27 0.00 0.47 0.00 0.00 55.06 56.21 1n91 s HIS 34 Cb -0.29 -1.31 1.58 0.00 -0.13 0.00 0.00 32.58 32.42 1n91 s HIS 34 CO 0.28 0.55 2.16 0.78 -2.47 0.00 0.00 174.74 176.03 1n91 h GLY 35 N 2.45 0.00 0.00 1.59 0.00 -1.97 -2.95 103.07 102.19 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 -0.35 1.22 0.00 0.00 0.00 176.54 178.00 1n91 n ASP 36 N -3.84 1.49 -3.26 0.19 8.00 -1.26 -4.84 116.55 113.01 1n91 n ASP 36 Ca -0.02 -0.36 -0.20 0.00 0.71 0.00 0.00 54.79 54.92 1n91 n ASP 36 Cb 0.16 1.01 -0.06 0.00 -0.02 0.00 0.00 41.12 42.21 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 -1.18 0.50 -3.63 -1.24 -0.58 -1.11 -3.48 120.64 109.92 1n91 n GLU 37 Ca 0.00 -2.92 -0.17 0.00 -0.42 0.00 0.00 57.16 53.64 1n91 n GLU 37 Cb 0.02 1.94 -0.15 0.00 -0.57 0.00 0.00 31.44 32.68 1n91 n GLU 37 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1n91 s VAL 38 N -3.00 -0.27 -0.28 2.62 1.01 -1.26 -0.10 120.40 119.11 1n91 s VAL 38 Ca 0.25 0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.47 1n91 s VAL 38 Cb 0.01 -0.38 0.05 0.00 0.00 0.00 0.00 36.38 36.06 1n91 s VAL 38 CO 0.18 0.06 -0.04 -0.75 0.00 0.00 0.00 175.10 174.55 1n91 s LYS 39 N 2.29 2.40 -0.10 2.72 2.20 0.45 0.61 119.74 130.33 1n91 s LYS 39 Ca 0.04 -1.27 -0.00 0.00 -0.36 0.00 0.00 55.97 54.37 1n91 s LYS 39 Cb -0.13 -3.08 -0.03 0.00 -1.51 0.00 0.00 37.83 33.09 1n91 s LYS 39 CO -0.07 -0.59 -0.07 0.54 -0.36 0.00 0.00 175.35 174.80 1n91 s VAL 40 N 1.21 3.63 -0.39 4.02 0.11 -1.13 -1.85 120.40 126.00 1n91 s VAL 40 Ca -0.06 -0.49 -0.14 0.00 -2.93 0.00 0.00 61.98 58.36 1n91 s VAL 40 Cb -0.20 -2.51 0.01 0.00 -1.53 0.00 0.00 36.38 32.16 1n91 s VAL 40 CO -0.03 0.56 0.27 0.00 -3.33 0.00 0.00 175.10 172.58 1n91 s ALA 41 N -0.36 3.45 0.08 1.54 0.00 -0.89 -0.79 121.76 124.78 1n91 s ALA 41 Ca 0.05 -1.65 0.01 0.00 0.00 0.00 0.00 51.96 50.37 1n91 s ALA 41 Cb -0.12 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1n91 s ALA 41 CO 0.02 -1.35 0.18 -1.50 0.00 0.00 0.00 175.76 173.12 1n91 s ILE 42 N 1.67 5.12 -0.60 0.00 2.07 -0.44 -1.54 121.20 127.47 1n91 s ILE 42 Ca 0.05 -0.57 0.08 0.00 -1.41 0.00 0.00 60.65 58.80 1n91 s ILE 42 Cb -0.19 -3.52 0.46 0.00 0.13 0.00 0.00 42.46 39.34 1n91 s ILE 42 CO 0.09 0.09 1.20 1.07 -1.91 0.00 0.00 174.94 175.48 1n91 n THR 43 N 0.17 1.53 -2.95 4.00 5.66 -1.26 -1.43 114.28 120.00 1n91 n THR 43 Ca -0.06 -0.78 -0.19 0.00 -3.05 0.00 0.00 64.05 59.97 1n91 n THR 43 Cb 0.52 -0.37 0.02 0.00 -1.55 0.00 0.00 70.33 68.95 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 -1.98 4.23 0.77 1.79 0.00 -1.26 -4.71 121.76 120.60 1n91 s ALA 44 Ca 0.30 -1.48 -0.12 0.00 0.00 0.00 0.00 51.96 50.66 1n91 s ALA 44 Cb 0.23 -1.82 0.05 0.00 0.00 0.00 0.00 23.12 21.59 1n91 s ALA 44 CO 0.09 -0.40 1.13 -2.14 0.00 0.00 0.00 175.76 174.44 1n91 s PRO 45 N -4.47 2.30 0.00 0.00 0.02 -1.26 -2.47 135.00 129.12 1n91 s PRO 45 Ca 0.54 0.35 0.03 0.00 0.02 0.00 0.00 61.00 61.95 1n91 s PRO 45 Cb -0.10 -1.97 0.21 0.00 0.02 0.00 0.00 34.50 32.66 1n91 s PRO 45 CO 0.35 -1.41 0.89 -2.30 -0.33 0.00 0.00 177.00 174.20 1n91 n PRO 46 N -3.24 0.74 -3.69 5.54 -0.02 -1.26 -4.07 135.00 129.00 1n91 n PRO 46 Ca 0.07 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.24 1n91 n PRO 46 Cb 0.58 -1.07 -0.04 0.00 -0.02 0.00 0.00 33.50 32.95 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 -2.00 5.18 0.02 -1.45 0.11 -1.26 -4.86 120.40 116.14 1n91 s VAL 47 Ca 0.05 -0.03 -0.25 0.00 -2.93 0.00 0.00 61.98 58.83 1n91 s VAL 47 Cb 0.02 -3.63 -0.14 0.00 -1.53 0.00 0.00 36.38 31.10 1n91 s VAL 47 CO 0.04 0.02 1.16 0.44 -3.33 0.00 0.00 175.10 173.43 1n91 h ASP 48 N 2.76 -0.75 -0.66 3.54 3.32 -1.87 0.24 116.42 122.99 1n91 h ASP 48 Ca -0.46 0.03 0.09 0.00 0.02 0.00 0.00 57.03 56.70 1n91 h ASP 48 Cb 1.17 0.19 -0.10 0.00 0.22 0.00 0.00 39.33 40.82 1n91 h ASP 48 CO 0.72 -0.45 -0.31 0.61 -1.72 0.00 0.00 179.24 178.09 1n91 n GLY 49 N -0.85 -1.51 0.07 2.75 0.00 -1.26 0.19 105.19 104.58 1n91 n GLY 49 Ca -0.11 0.76 -0.14 0.00 0.00 0.00 0.00 46.02 46.53 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 0.01 0.95 1.61 7.50 -1.91 -3.09 115.11 120.17 1n91 h GLN 50 Ca 0.18 -0.01 -0.05 0.00 0.50 0.00 0.00 58.65 59.28 1n91 h GLN 50 Cb 0.35 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.89 1n91 h GLN 50 CO -0.65 0.91 -0.47 0.00 -1.50 0.00 0.00 178.83 177.12 1n91 h ALA 51 N 0.10 -1.34 -0.83 3.87 0.00 0.81 -3.07 119.26 118.79 1n91 h ALA 51 Ca -0.00 -0.28 0.13 0.00 0.00 0.00 0.00 54.91 54.76 1n91 h ALA 51 Cb 0.92 0.53 -0.14 0.00 0.00 0.00 0.00 17.79 19.09 1n91 h ALA 51 CO 0.00 -1.25 -0.37 -0.97 0.00 0.00 0.00 179.25 176.66 1n91 h ASN 52 N -1.30 -1.35 -0.91 0.00 -0.73 0.20 0.12 115.58 111.62 1n91 h ASN 52 Ca -0.13 0.28 0.17 0.00 1.87 0.00 0.00 56.30 58.49 1n91 h ASN 52 Cb 1.00 0.69 -0.16 0.00 0.27 0.00 0.00 38.32 40.12 1n91 h ASN 52 CO 0.20 -0.30 -0.29 0.28 -0.37 0.00 0.00 177.43 176.96 1n91 h SER 53 N -0.07 -1.06 -0.11 1.15 0.02 -1.45 0.13 113.55 112.17 1n91 h SER 53 Ca 0.30 0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 61.52 1n91 h SER 53 Cb 0.58 0.63 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 1n91 h SER 53 CO -0.87 -0.30 0.03 0.45 -1.14 0.00 0.00 176.83 175.01 1n91 h HIS 54 N -0.02 0.17 -0.78 3.45 3.86 -0.73 -2.71 115.15 118.40 1n91 h HIS 54 Ca 0.39 -0.02 0.18 0.00 -1.16 0.00 0.00 60.37 59.77 1n91 h HIS 54 Cb 0.64 -0.05 -0.12 0.00 1.06 0.00 0.00 27.41 28.93 1n91 h HIS 54 CO -0.75 0.31 0.15 -0.07 0.86 0.00 0.00 177.93 178.42 1n91 h LEU 55 N -0.01 -0.08 -1.57 2.43 4.07 0.25 1.11 115.31 121.52 1n91 h LEU 55 Ca 0.03 0.17 -0.05 0.00 0.08 0.00 0.00 57.88 58.12 1n91 h LEU 55 Cb 0.21 0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 1n91 h LEU 55 CO -0.00 -0.10 -0.22 1.62 -1.08 0.00 0.00 178.44 178.66 1n91 h VAL 56 N 0.21 0.83 0.04 1.22 3.04 -1.10 -2.90 116.25 117.60 1n91 h VAL 56 Ca 0.45 -0.85 -0.11 0.00 -1.01 0.00 0.00 66.70 65.18 1n91 h VAL 56 Cb 0.82 1.51 -0.00 0.00 -2.01 0.00 0.00 31.29 31.61 1n91 h VAL 56 CO -0.59 0.21 -0.53 0.50 -1.01 0.00 0.00 177.57 176.15 1n91 h LYS 57 N 0.00 0.09 -0.39 4.17 3.64 0.12 -1.33 116.57 122.86 1n91 h LYS 57 Ca -0.00 -0.16 0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1n91 h LYS 57 Cb 0.49 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.30 1n91 h LYS 57 CO 0.03 1.08 -0.04 0.35 -2.27 0.00 0.00 179.45 178.60 1n91 h PHE 58 N -0.78 -0.10 0.20 1.91 3.57 0.58 0.51 116.94 122.82 1n91 h PHE 58 Ca -0.12 0.03 -0.28 0.00 3.53 0.00 0.00 57.97 61.13 1n91 h PHE 58 Cb 1.28 0.10 0.03 0.00 2.79 0.00 0.00 35.95 40.15 1n91 h PHE 58 CO 0.22 -0.12 -1.22 -0.07 -2.23 0.00 0.00 178.31 174.89 1n91 h LEU 59 N 0.06 0.73 -1.16 0.59 -0.00 -1.68 -1.87 115.31 111.99 1n91 h LEU 59 Ca 0.19 -0.91 0.10 0.00 -0.00 0.00 0.00 57.88 57.26 1n91 h LEU 59 Cb 0.28 -0.24 -0.07 0.00 -0.00 0.00 0.00 40.66 40.64 1n91 h LEU 59 CO -0.36 1.59 0.59 1.23 -0.00 0.00 0.00 178.44 181.49 1n91 h GLY 60 N -0.00 1.37 0.82 0.83 0.00 -0.91 0.97 103.07 106.15 1n91 h GLY 60 Ca -0.21 -0.38 -0.26 0.00 0.00 0.00 0.00 47.33 46.48 1n91 h GLY 60 CO 0.23 0.19 -1.21 0.07 0.00 0.00 0.00 176.54 175.82 1n91 h LYS 61 N 0.91 0.36 -0.12 4.80 2.10 -0.06 0.12 116.57 124.68 1n91 h LYS 61 Ca 0.44 -0.61 -0.08 0.00 -2.00 0.00 0.00 60.65 58.39 1n91 h LYS 61 Cb 0.44 0.23 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 1n91 h LYS 61 CO -0.20 1.29 -0.22 1.96 -2.00 0.00 0.00 179.45 180.29 1n91 h GLN 62 N -0.18 0.36 0.00 0.07 1.08 -0.99 -3.18 115.11 112.27 1n91 h GLN 62 Ca -0.23 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 1n91 h GLN 62 Cb 1.85 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.31 1n91 h GLN 62 CO 0.17 0.82 -0.39 0.74 -0.95 0.00 0.00 178.83 179.22 1n91 h PHE 63 N -0.05 0.00 -0.57 2.96 0.04 0.81 -3.44 116.94 116.68 1n91 h PHE 63 Ca 0.01 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.53 1n91 h PHE 63 Cb 0.80 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.86 1n91 h PHE 63 CO 0.10 0.00 -0.22 0.54 -0.60 0.00 0.00 178.31 178.13 1n91 n ARG 64 N -2.66 -1.62 -3.35 1.51 1.74 0.02 -2.31 116.66 110.00 1n91 n ARG 64 Ca 0.03 0.92 -0.32 0.00 -0.77 0.00 0.00 57.85 57.71 1n91 n ARG 64 Cb 0.50 -5.31 -0.06 0.00 -1.02 0.00 0.00 32.46 26.57 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 -2.06 4.87 0.87 1.55 -7.23 -1.19 -4.89 120.40 112.33 1n91 s VAL 65 Ca 0.00 0.60 -0.15 0.00 -1.81 0.00 0.00 61.98 60.62 1n91 s VAL 65 Cb 0.00 -3.62 -0.03 0.00 0.56 0.00 0.00 36.38 33.29 1n91 s VAL 65 CO 0.00 -0.08 0.21 0.00 -0.31 0.00 0.00 175.10 174.92 1n91 n ALA 66 N -0.15 -2.80 0.15 1.32 0.00 -1.26 -4.58 120.51 113.20 1n91 n ALA 66 Ca 0.01 -0.49 0.01 0.00 0.00 0.00 0.00 53.44 52.97 1n91 n ALA 66 Cb 0.53 -1.68 0.19 0.00 0.00 0.00 0.00 19.45 18.48 1n91 n ALA 66 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1n91 h LYS 67 N -1.03 0.00 0.00 0.00 2.10 -1.93 -2.36 116.57 113.35 1n91 h LYS 67 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1n91 h LYS 67 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1n91 h LYS 67 CO 0.35 0.57 0.00 0.45 -2.00 0.00 0.00 179.45 178.82 1n91 n SER 68 N -3.64 0.27 0.00 7.07 2.88 -1.26 -1.79 113.62 117.14 1n91 n SER 68 Ca -0.01 0.56 0.10 0.00 -1.33 0.00 0.00 58.87 58.20 1n91 n SER 68 Cb 0.62 -0.62 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 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 -1.79 0.03 -3.15 -1.46 1.13 -0.90 -4.76 117.38 106.49 1n91 n GLN 69 Ca 0.04 -0.01 -0.45 0.00 -1.94 0.00 0.00 57.00 54.64 1n91 n GLN 69 Cb 0.23 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.03 1n91 n GLN 69 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1n91 s VAL 70 N -3.02 4.95 -0.20 5.09 1.01 -0.74 -1.44 120.40 126.04 1n91 s VAL 70 Ca 0.08 -1.23 -0.04 0.00 0.00 0.00 0.00 61.98 60.79 1n91 s VAL 70 Cb 0.16 -4.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 1n91 s VAL 70 CO 0.84 -1.10 -0.04 -0.69 0.00 0.00 0.00 175.10 174.11 1n91 s VAL 71 N 2.30 3.51 -1.01 2.92 1.01 -0.19 -4.86 120.40 124.08 1n91 s VAL 71 Ca 0.12 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 1n91 s VAL 71 Cb -0.23 -2.58 0.09 0.00 0.00 0.00 0.00 36.38 33.66 1n91 s VAL 71 CO 0.04 0.44 1.33 -0.63 0.00 0.00 0.00 175.10 176.28 1n91 s ILE 72 N 1.18 4.33 -2.00 2.22 1.01 -1.26 0.12 121.20 126.79 1n91 s ILE 72 Ca 0.02 -1.27 0.10 0.00 0.00 0.00 0.00 60.65 59.51 1n91 s ILE 72 Cb -0.14 -4.94 0.29 0.00 0.01 0.00 0.00 42.46 37.67 1n91 s ILE 72 CO -0.01 -1.75 1.04 -0.62 0.00 0.00 0.00 174.94 173.61 1n91 n GLU 73 N 7.71 0.33 0.00 2.79 1.02 -0.02 -4.67 120.64 127.81 1n91 n GLU 73 Ca 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1n91 n GLU 73 Cb 0.49 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 1n91 n GLU 73 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1n91 n LYS 74 N -0.98 0.00 0.00 3.49 5.02 -1.25 -4.93 118.16 119.51 1n91 n LYS 74 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1n91 n LYS 74 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 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 0.33 0.17 0.72 0.00 -1.24 0.24 105.19 105.42 1n91 n GLY 75 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.58 -1.26 -3.23 120.64 117.14 1n91 n GLU 76 Ca 0.00 0.76 0.00 0.00 -0.42 0.00 0.00 57.16 57.50 1n91 n GLU 76 Cb 0.00 -1.18 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 1n91 n GLU 76 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1n91 n LEU 77 N -4.65 1.50 -4.59 -4.62 0.00 -1.26 -3.85 117.00 99.54 1n91 n LEU 77 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 56.01 55.76 1n91 n LEU 77 Cb 0.34 0.00 0.09 0.00 0.00 0.00 0.00 43.42 43.85 1n91 n LEU 77 CO -0.04 0.21 0.44 0.61 0.00 0.00 0.00 177.39 178.61 1n91 n GLY 78 N 2.74 -0.66 0.28 -3.96 0.00 -1.20 -4.88 105.19 97.51 1n91 n GLY 78 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 46.02 45.67 1n91 n GLY 78 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1n91 h ARG 79 N -0.35 0.50 -6.95 1.61 -0.00 -1.86 -3.42 114.38 103.91 1n91 h ARG 79 Ca -0.47 -0.08 -0.51 0.00 -0.00 0.00 0.00 59.98 58.92 1n91 h ARG 79 Cb 1.33 -0.09 0.07 0.00 -0.00 0.00 0.00 29.97 31.28 1n91 h ARG 79 CO 0.46 0.47 0.54 -1.58 -0.00 0.00 0.00 179.97 179.86 1n91 s HIS 80 N -5.10 2.93 0.01 4.08 2.46 -1.26 0.11 115.29 118.52 1n91 s HIS 80 Ca -0.08 1.50 0.00 0.00 0.47 0.00 0.00 55.06 56.96 1n91 s HIS 80 Cb 0.16 -3.50 -0.01 0.00 -0.13 0.00 0.00 32.58 29.10 1n91 s HIS 80 CO 0.75 -1.65 -0.02 0.21 -2.47 0.00 0.00 174.74 171.56 1n91 s LYS 81 N -2.35 0.21 -0.45 2.88 2.20 -0.42 -3.62 119.74 118.19 1n91 s LYS 81 Ca 0.58 -0.37 0.05 0.00 -0.36 0.00 0.00 55.97 55.88 1n91 s LYS 81 Cb -0.33 0.02 0.18 0.00 -1.51 0.00 0.00 37.83 36.19 1n91 s LYS 81 CO 0.42 -0.02 0.49 1.04 -0.36 0.00 0.00 175.35 176.92 1n91 n GLN 82 N 2.22 0.35 -2.91 4.03 6.02 0.14 -2.10 117.38 125.13 1n91 n GLN 82 Ca -0.19 -2.77 -0.37 0.00 -0.01 0.00 0.00 57.00 53.66 1n91 n GLN 82 Cb 0.57 -1.57 -0.06 0.00 1.02 0.00 0.00 30.24 30.20 1n91 n GLN 82 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1n91 s ILE 83 N 0.26 4.33 -0.22 5.09 1.01 -0.57 -0.84 121.20 130.25 1n91 s ILE 83 Ca 0.32 1.66 -0.05 0.00 0.00 0.00 0.00 60.65 62.58 1n91 s ILE 83 Cb 0.04 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 1n91 s ILE 83 CO -0.15 0.25 -0.00 -0.75 0.00 0.00 0.00 174.94 174.29 1n91 s LYS 84 N -1.82 3.50 -0.63 2.79 2.36 0.33 0.72 119.74 126.99 1n91 s LYS 84 Ca 0.45 -0.56 -0.10 0.00 -2.55 0.00 0.00 55.97 53.21 1n91 s LYS 84 Cb -0.19 -3.11 0.16 0.00 -1.05 0.00 0.00 37.83 33.64 1n91 s LYS 84 CO 0.24 -0.15 0.52 0.42 1.55 0.00 0.00 175.35 177.93 1n91 s ILE 85 N 1.41 4.64 0.28 5.43 1.09 0.96 -1.02 121.20 133.99 1n91 s ILE 85 Ca 0.05 -2.28 -0.24 0.00 -1.10 0.00 0.00 60.65 57.09 1n91 s ILE 85 Cb -0.15 -3.97 -0.09 0.00 -1.06 0.00 0.00 42.46 37.19 1n91 s ILE 85 CO -0.00 -0.89 0.86 -0.63 -0.10 0.00 0.00 174.94 174.17 1n91 s ILE 86 N 0.64 4.35 -0.46 2.92 1.01 -0.52 -2.28 121.20 126.86 1n91 s ILE 86 Ca 0.12 1.61 -0.20 0.00 0.00 0.00 0.00 60.65 62.19 1n91 s ILE 86 Cb -0.20 -3.95 0.03 0.00 0.01 0.00 0.00 42.46 38.35 1n91 s ILE 86 CO -0.04 0.17 0.62 -3.20 0.00 0.00 0.00 174.94 172.50 1n91 n ASN 87 N 0.63 -7.37 -4.71 3.58 2.85 -1.18 -4.82 115.26 104.25 1n91 n ASN 87 Ca 0.00 0.33 -0.42 0.00 -0.11 0.00 0.00 54.58 54.38 1n91 n ASN 87 Cb 0.50 -4.52 -0.03 0.00 1.24 0.00 0.00 39.78 36.98 1n91 n ASN 87 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 1n91 s PRO 88 N -2.64 4.42 -0.07 1.20 0.02 -1.26 -4.84 135.00 131.83 1n91 s PRO 88 Ca 0.26 1.74 0.07 0.00 0.02 0.00 0.00 61.00 63.09 1n91 s PRO 88 Cb -0.06 -3.40 -0.10 0.00 0.02 0.00 0.00 34.50 30.97 1n91 s PRO 88 CO 0.79 -0.29 0.03 0.94 -0.33 0.00 0.00 177.00 178.14 1n91 n GLN 89 N 4.21 2.65 -3.59 5.54 -0.06 -1.26 -4.97 117.38 119.92 1n91 n GLN 89 Ca 0.09 -0.01 -0.19 0.00 -2.00 0.00 0.00 57.00 54.90 1n91 n GLN 89 Cb 0.46 -1.20 -0.15 0.00 -4.06 0.00 0.00 30.24 25.30 1n91 n GLN 89 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 1n91 s GLN 90 N -2.20 0.10 -0.34 3.69 0.74 -0.98 -5.04 119.66 115.64 1n91 s GLN 90 Ca -0.04 0.31 -0.07 0.00 0.05 0.00 0.00 55.36 55.62 1n91 s GLN 90 Cb 0.02 -0.91 0.04 0.00 1.10 0.00 0.00 33.01 33.26 1n91 s GLN 90 CO 0.32 -0.51 0.11 -1.50 -0.55 0.00 0.00 175.29 173.16 1n91 s ILE 91 N 2.28 3.84 1.21 -2.34 2.07 -1.26 -4.18 121.20 122.83 1n91 s ILE 91 Ca 0.04 -1.10 -0.17 0.00 -1.41 0.00 0.00 60.65 58.01 1n91 s ILE 91 Cb -0.14 -3.16 0.29 0.00 0.13 0.00 0.00 42.46 39.57 1n91 s ILE 91 CO -0.09 -0.17 1.04 -2.84 -1.91 0.00 0.00 174.94 170.97 1n91 s PRO 92 N 1.42 -1.30 0.52 3.50 0.02 -1.26 -4.88 135.00 133.02 1n91 s PRO 92 Ca -0.01 0.29 0.32 0.00 0.02 0.00 0.00 61.00 61.61 1n91 s PRO 92 Cb -0.19 -1.56 1.19 0.00 0.02 0.00 0.00 34.50 33.96 1n91 s PRO 92 CO 0.03 -3.84 1.92 -1.35 -0.33 0.00 0.00 177.00 173.43 1n91 h PRO 93 N -2.68 0.00 -0.08 5.54 0.11 -1.99 -3.09 132.00 129.82 1n91 h PRO 93 Ca -0.51 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.63 1n91 h PRO 93 Cb 1.32 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.37 1n91 h PRO 93 CO 0.41 0.00 -0.51 0.93 -0.21 0.00 0.00 178.00 178.62 1n91 h GLU 94 N 0.00 -0.58 0.00 1.05 3.07 -1.99 1.63 114.58 117.76 1n91 h GLU 94 Ca 0.00 0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.79 1n91 h GLU 94 Cb 0.59 0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.61 1n91 h GLU 94 CO 0.00 -0.39 -0.53 0.28 -1.40 0.00 0.00 179.01 176.98 1n91 h VAL 95 N -0.60 0.93 0.00 3.13 2.07 -1.95 -3.21 116.25 116.62 1n91 h VAL 95 Ca 0.03 -2.23 -0.13 0.00 0.82 0.00 0.00 66.70 65.20 1n91 h VAL 95 Cb 0.69 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 1n91 h VAL 95 CO -0.40 0.52 -0.63 0.00 0.02 0.00 0.00 177.57 177.08 1n91 h ALA 96 N 1.47 0.85 0.00 1.67 0.00 -1.27 -0.20 119.26 121.77 1n91 h ALA 96 Ca -0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1n91 h ALA 96 Cb 1.35 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1n91 h ALA 96 CO 0.07 0.78 -0.04 0.00 0.00 0.00 0.00 179.25 180.06 1n91 h ALA 97 N 1.37 1.07 -0.00 0.00 0.00 0.24 0.37 119.26 122.32 1n91 h ALA 97 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1n91 h ALA 97 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1n91 h ALA 97 CO 0.08 0.05 -0.14 1.47 0.00 0.00 0.00 179.25 180.71 1n91 n LEU 98 N -3.24 0.38 -0.11 0.00 -0.00 -1.14 -3.97 117.00 108.91 1n91 n LEU 98 Ca -0.01 -0.59 -0.22 0.00 -0.00 0.00 0.00 56.01 55.18 1n91 n LEU 98 Cb 0.21 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.55 1n91 n LEU 98 CO 0.26 0.09 -1.26 -0.38 -0.00 0.00 0.00 177.39 176.10 1n91 n ILE 99 N -0.85 1.23 0.91 1.47 2.08 -0.10 -4.50 119.36 119.60 1n91 n ILE 99 Ca 0.01 -0.34 0.13 0.00 0.56 0.00 0.00 62.75 63.11 1n91 n ILE 99 Cb 0.06 -1.69 0.44 0.00 -0.75 0.00 0.00 39.64 37.70 1n91 n ILE 99 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1n91 n ASN 100 N -3.83 0.32 -3.22 4.38 4.13 0.13 -4.98 115.26 112.20 1n91 n ASN 100 Ca -0.43 0.25 -0.11 0.00 1.68 0.00 0.00 54.58 55.97 1n91 n ASN 100 Cb 0.83 -0.25 0.01 0.00 -1.54 0.00 0.00 39.78 38.83 1n91 n ASN 100 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1n91 n LEU 101 N -1.66 -5.55 -0.08 3.41 7.94 -1.10 -4.91 117.00 115.05 1n91 n LEU 101 Ca 0.06 -0.14 0.12 0.00 -1.11 0.00 0.00 56.01 54.94 1n91 n LEU 101 Cb 0.36 -2.79 0.18 0.00 0.53 0.00 0.00 43.42 41.70 1n91 n LEU 101 CO 0.31 -0.96 0.38 -0.62 -1.11 0.00 0.00 177.39 175.39 1n91 n GLU 102 N -1.46 0.24 -2.36 1.96 1.02 -1.25 -4.78 120.64 114.00 1n91 n GLU 102 Ca -0.05 -0.16 -0.37 0.00 -0.02 0.00 0.00 57.16 56.56 1n91 n GLU 102 Cb 0.55 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.44 1n91 n GLU 102 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1n91 s HIS 103 N -2.87 2.17 0.18 -0.32 2.46 -1.26 -4.15 115.29 111.50 1n91 s HIS 103 Ca 0.13 -0.07 0.00 0.00 0.47 0.00 0.00 55.06 55.59 1n91 s HIS 103 Cb 0.18 -4.44 0.00 0.00 -0.13 0.00 0.00 32.58 28.19 1n91 s HIS 103 CO 0.69 -1.98 0.00 1.58 -2.47 0.00 0.00 174.74 172.56 1n91 n HIS 104 N 10.78 -2.95 0.94 3.88 -0.00 -1.26 -4.93 115.22 121.68 1n91 n HIS 104 Ca 0.26 0.62 -0.00 0.00 -0.00 0.00 0.00 57.72 58.60 1n91 n HIS 104 Cb 0.50 1.76 0.01 0.00 -0.00 0.00 0.00 29.99 32.26 1n91 n HIS 104 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1n91 n HIS 105 N -2.81 0.08 -2.88 1.57 8.25 -1.26 -4.98 115.22 113.20 1n91 n HIS 105 Ca 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1n91 n HIS 105 Cb 0.00 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 30.95 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 0.14 0.00 -4.25 4.41 8.25 -1.26 -4.74 115.22 117.77 1n91 n HIS 106 Ca 0.01 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.23 1n91 n HIS 106 Cb 0.35 0.04 -0.08 0.00 1.12 0.00 0.00 29.99 31.43 1n91 n HIS 106 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1n91 s HIS 107 N 0.00 2.60 -2.18 4.41 -3.43 -1.26 -4.97 115.29 110.47 1n91 s HIS 107 Ca 0.00 -0.43 0.31 0.00 -0.80 0.00 0.00 55.06 54.13 1n91 s HIS 107 Cb 0.00 -1.58 1.60 0.00 -1.43 0.00 0.00 32.58 31.18 1n91 s HIS 107 CO 0.00 0.41 2.06 -2.39 -2.00 0.00 0.00 174.74 172.82